#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gir s LEU 12 N 0.00 4.25 0.52 2.46 1.43 -1.26 -4.97 118.68 121.10 3gir s LEU 12 Ca 0.00 2.65 -0.20 0.00 -1.03 0.00 0.00 54.13 55.55 3gir s LEU 12 Cb 0.00 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 3gir s LEU 12 CO 0.00 -0.79 1.11 -0.54 0.23 0.00 0.00 176.35 176.36 3gir s LYS 13 N -2.17 3.53 -0.15 1.70 1.02 0.06 -4.72 119.74 119.01 3gir s LYS 13 Ca 0.56 1.57 -0.05 0.00 0.02 0.00 0.00 55.97 58.07 3gir s LYS 13 Cb -0.38 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 3gir s LYS 13 CO 0.49 -0.69 0.00 0.99 -0.92 0.00 0.00 175.35 175.22 3gir s THR 14 N -1.79 4.24 0.26 2.17 2.01 -1.26 -1.29 115.64 119.98 3gir s THR 14 Ca 0.70 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 3gir s THR 14 Cb -0.22 -2.86 -0.10 0.00 0.01 0.00 0.00 72.50 69.32 3gir s THR 14 CO 0.26 0.50 1.44 -0.76 -0.69 0.00 0.00 174.62 175.37 3gir s LEU 15 N 0.14 4.39 0.34 4.42 1.43 -1.26 -4.91 118.68 123.23 3gir s LEU 15 Ca 0.01 2.68 0.13 0.00 -1.03 0.00 0.00 54.13 55.92 3gir s LEU 15 Cb -0.13 -3.63 0.97 0.00 0.03 0.00 0.00 46.19 43.43 3gir s LEU 15 CO 0.02 -0.70 1.73 -0.65 0.23 0.00 0.00 176.35 176.98 3gir h PRO 16 N 4.90 0.49 -0.77 1.29 0.11 -1.96 -1.23 132.00 134.83 3gir h PRO 16 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3gir h PRO 16 Cb 1.22 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3gir h PRO 16 CO 0.77 0.32 0.08 1.28 -0.21 0.00 0.00 178.00 180.25 3gir n LEU 17 N -4.82 4.44 -0.28 2.35 4.77 -1.26 -4.61 117.00 117.58 3gir n LEU 17 Ca 0.27 -2.27 0.10 0.00 -0.03 0.00 0.00 56.01 54.08 3gir n LEU 17 Cb 0.81 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 41.51 3gir n LEU 17 CO 0.18 0.57 0.95 0.22 -1.33 0.00 0.00 177.39 177.98 3gir h TYR 18 N 2.29 0.35 -0.35 -1.77 3.20 -1.59 -0.64 116.97 118.45 3gir h TYR 18 Ca 0.08 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3gir h TYR 18 Cb 1.64 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 3gir h TYR 18 CO 0.80 -0.15 0.16 0.93 -1.64 0.00 0.00 178.16 178.27 3gir h GLU 19 N 0.25 0.49 -0.91 1.82 5.08 -1.85 -0.11 114.58 119.35 3gir h GLU 19 Ca 0.50 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 3gir h GLU 19 Cb 0.95 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 3gir h GLU 19 CO -0.59 0.39 0.51 -0.07 -1.00 0.00 0.00 179.01 178.25 3gir h LEU 20 N 0.49 1.13 -0.30 1.33 3.38 -1.49 -0.08 115.31 119.77 3gir h LEU 20 Ca 0.13 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3gir h LEU 20 Cb 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3gir h LEU 20 CO -0.02 0.90 -0.14 0.45 0.09 0.00 0.00 178.44 179.71 3gir h HIS 21 N 1.27 0.73 -0.20 1.13 3.86 -1.00 -1.61 115.15 119.33 3gir h HIS 21 Ca 0.32 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3gir h HIS 21 Cb 0.01 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3gir h HIS 21 CO 0.01 0.86 0.08 1.49 0.86 0.00 0.00 177.93 181.23 3gir h GLU 22 N 0.39 0.18 -0.51 2.45 4.22 -0.89 -1.39 114.58 119.02 3gir h GLU 22 Ca 0.07 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.53 3gir h GLU 22 Cb 0.67 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3gir h GLU 22 CO 0.04 0.12 0.34 0.87 -2.18 0.00 0.00 179.01 178.20 3gir h LYS 23 N 0.18 0.56 0.00 1.92 1.79 -0.93 -1.24 116.57 118.84 3gir h LYS 23 Ca 0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3gir h LYS 23 Cb 0.04 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3gir h LYS 23 CO -0.07 0.37 0.00 0.00 -1.08 0.00 0.00 179.45 178.66 3gir n ALA 24 N -2.48 2.41 -1.78 3.86 0.00 -0.61 -4.90 120.51 117.00 3gir n ALA 24 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3gir n ALA 24 Cb 0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 3gir n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gir n GLY 25 N 0.71 0.35 3.69 0.00 0.00 -0.47 -4.37 105.19 105.11 3gir n GLY 25 Ca 0.17 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3gir n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gir n ALA 26 N -0.51 1.03 -2.81 4.61 0.00 -0.56 -4.16 120.51 118.11 3gir n ALA 26 Ca -0.04 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 3gir n ALA 26 Cb 0.41 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 3gir n ALA 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gir s LYS 27 N -2.67 3.98 0.13 0.00 3.01 -0.14 -4.87 119.74 119.17 3gir s LYS 27 Ca 0.70 -0.33 0.05 0.00 -1.01 0.00 0.00 55.97 55.38 3gir s LYS 27 Cb -0.44 -3.30 -0.04 0.00 -1.01 0.00 0.00 37.83 33.04 3gir s LYS 27 CO 0.50 0.19 0.08 -0.06 0.51 0.00 0.00 175.35 176.58 3gir s PHE 28 N 0.61 3.11 0.24 3.18 0.08 -1.26 -0.33 117.98 123.61 3gir s PHE 28 Ca 0.04 0.00 -0.20 0.00 0.12 0.00 0.00 56.93 56.90 3gir s PHE 28 Cb -0.13 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3gir s PHE 28 CO 0.01 0.51 0.64 0.20 -0.10 0.00 0.00 175.22 176.49 3gir s GLY 29 N -2.74 -0.14 0.06 4.36 0.00 -0.31 -4.84 107.32 103.72 3gir s GLY 29 Ca 0.29 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 3gir s GLY 29 CO 0.22 -0.12 0.99 0.00 0.00 0.00 0.00 173.10 174.19 3gir s ALA 30 N -3.89 3.22 -0.13 3.20 0.00 -1.26 -0.48 121.76 122.43 3gir s ALA 30 Ca 0.10 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3gir s ALA 30 Cb -0.04 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.82 3gir s ALA 30 CO 0.02 -0.15 0.28 0.12 0.00 0.00 0.00 175.76 176.03 3gir s PHE 31 N 0.52 -0.42 -1.22 0.00 5.36 -0.11 -4.92 117.98 117.18 3gir s PHE 31 Ca 0.50 0.95 -0.08 0.00 -0.96 0.00 0.00 56.93 57.34 3gir s PHE 31 Cb -0.23 0.07 0.06 0.00 -0.34 0.00 0.00 43.02 42.58 3gir s PHE 31 CO 0.29 -0.30 0.42 0.00 -1.46 0.00 0.00 175.22 174.17 3gir n ALA 32 N 4.63 -1.03 -0.79 11.12 0.00 -1.26 -0.57 120.51 132.60 3gir n ALA 32 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gir n ALA 32 Cb 0.52 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3gir n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gir n GLY 33 N -1.11 0.76 3.57 0.00 0.00 -1.26 -4.34 105.19 102.81 3gir n GLY 33 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3gir n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gir s TRP 34 N -2.84 2.72 -0.48 1.61 0.52 0.26 -0.76 118.94 119.97 3gir s TRP 34 Ca 0.00 -0.17 -0.25 0.00 0.02 0.00 0.00 56.10 55.71 3gir s TRP 34 Cb 0.00 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.93 3gir s TRP 34 CO 0.00 0.43 0.91 0.50 0.02 0.00 0.00 176.95 178.81 3gir s ARG 35 N -2.22 3.46 0.13 4.98 3.52 -0.41 -0.94 118.95 127.47 3gir s ARG 35 Ca 0.21 0.02 0.10 0.00 -0.13 0.00 0.00 55.73 55.93 3gir s ARG 35 Cb -0.11 -3.96 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 3gir s ARG 35 CO 0.14 -1.28 -0.20 -1.64 -0.81 0.00 0.00 175.30 171.50 3gir s MET 36 N 3.76 1.68 -0.32 5.12 -1.94 0.37 -4.50 119.30 123.47 3gir s MET 36 Ca 0.34 -1.27 -0.29 0.00 -1.71 0.00 0.00 55.69 52.77 3gir s MET 36 Cb -0.11 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3gir s MET 36 CO 0.24 0.46 1.37 -1.25 -0.01 0.00 0.00 175.02 175.83 3gir s PRO 37 N -2.23 3.80 0.08 2.03 0.04 -1.26 -1.16 135.00 136.30 3gir s PRO 37 Ca 0.18 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 3gir s PRO 37 Cb -0.10 -3.94 -0.26 0.00 0.04 0.00 0.00 34.50 30.24 3gir s PRO 37 CO 0.09 -1.27 1.15 -0.07 0.04 0.00 0.00 177.00 176.94 3gir h LEU 38 N 11.36 0.50 -7.30 -3.56 3.38 -1.00 -0.41 115.31 118.28 3gir h LEU 38 Ca -0.27 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.12 3gir h LEU 38 Cb 1.11 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 3gir h LEU 38 CO 1.04 1.38 -0.03 0.42 0.09 0.00 0.00 178.44 181.34 3gir s THR 39 N -2.75 0.05 0.47 0.22 -4.23 -1.18 -1.49 115.64 106.72 3gir s THR 39 Ca -0.05 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 3gir s THR 39 Cb 0.07 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 3gir s THR 39 CO 0.89 -0.22 0.07 -0.31 -0.54 0.00 0.00 174.62 174.52 3gir s TYR 40 N -2.83 2.16 0.57 3.99 2.02 -1.26 -0.96 117.35 121.03 3gir s TYR 40 Ca -0.03 -0.80 0.26 0.00 -0.37 0.00 0.00 57.07 56.13 3gir s TYR 40 Cb -0.00 -1.75 1.57 0.00 -0.40 0.00 0.00 41.96 41.38 3gir s TYR 40 CO -0.05 0.22 2.11 -1.35 -1.57 0.00 0.00 175.55 174.91 3gir h PRO 41 N 1.43 0.00 -0.75 -1.71 0.11 -1.76 -1.20 132.00 128.12 3gir h PRO 41 Ca -0.43 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.72 3gir h PRO 41 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3gir h PRO 41 CO 0.74 0.00 0.47 1.25 -0.21 0.00 0.00 178.00 180.25 3gir h LEU 42 N 0.00 0.75 0.00 2.35 5.85 -1.94 -3.48 115.31 118.84 3gir h LEU 42 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gir h LEU 42 Cb 0.44 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3gir h LEU 42 CO -0.00 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 179.22 3gir n GLY 43 N -1.30 2.37 0.28 3.75 0.00 -0.46 -4.42 105.19 105.41 3gir n GLY 43 Ca 0.09 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.26 3gir n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gir h VAL 44 N 0.00 0.81 0.27 1.61 2.07 -1.92 0.72 116.25 119.81 3gir h VAL 44 Ca 0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3gir h VAL 44 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3gir h VAL 44 CO 0.00 0.11 -0.13 -0.07 0.02 0.00 0.00 177.57 177.50 3gir h LEU 45 N 0.59 -0.31 -0.97 2.57 3.38 -1.99 -2.70 115.31 115.89 3gir h LEU 45 Ca 0.37 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3gir h LEU 45 Cb 0.43 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3gir h LEU 45 CO -0.30 0.04 -0.42 0.11 0.09 0.00 0.00 178.44 177.96 3gir h LYS 46 N -0.69 0.00 -0.25 1.13 1.57 -1.69 -1.32 116.57 115.32 3gir h LYS 46 Ca -0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3gir h LYS 46 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3gir h LYS 46 CO 0.06 0.42 -0.10 0.93 -0.57 0.00 0.00 179.45 180.19 3gir h GLU 47 N 0.00 0.51 0.27 3.15 5.08 -0.92 0.31 114.58 122.97 3gir h GLU 47 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3gir h GLU 47 Cb 0.90 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3gir h GLU 47 CO 0.05 0.76 -0.33 1.25 -1.00 0.00 0.00 179.01 179.74 3gir h HIS 48 N 0.24 -0.90 -0.69 4.33 2.76 -1.23 -2.24 115.15 117.42 3gir h HIS 48 Ca 0.06 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3gir h HIS 48 Cb 0.60 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 3gir h HIS 48 CO 0.06 -0.46 0.38 -0.07 -1.30 0.00 0.00 177.93 176.54 3gir h LEU 49 N -0.65 0.85 -0.91 0.26 3.38 -1.18 -2.22 115.31 114.84 3gir h LEU 49 Ca -0.01 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3gir h LEU 49 Cb 0.62 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3gir h LEU 49 CO -0.10 0.68 0.57 -0.74 0.09 0.00 0.00 178.44 178.94 3gir h HIS 50 N 0.96 1.05 -0.61 1.13 2.76 -0.21 -1.93 115.15 118.31 3gir h HIS 50 Ca 0.25 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3gir h HIS 50 Cb 0.02 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3gir h HIS 50 CO 0.01 0.51 0.04 1.15 -1.30 0.00 0.00 177.93 178.34 3gir h THR 51 N 1.01 1.26 0.00 6.26 2.02 -0.79 0.17 112.91 122.84 3gir h THR 51 Ca 0.41 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3gir h THR 51 Cb 0.23 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3gir h THR 51 CO -0.19 0.39 -0.14 0.03 0.37 0.00 0.00 175.52 175.99 3gir h ARG 52 N 0.95 0.00 0.00 6.66 3.08 -1.15 -3.32 114.38 120.60 3gir h ARG 52 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3gir h ARG 52 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3gir h ARG 52 CO 0.02 0.14 -2.10 0.00 -1.07 0.00 0.00 179.97 176.96 3gir n ALA 53 N -2.14 2.48 -2.00 0.04 0.00 -0.77 -4.51 120.51 113.60 3gir n ALA 53 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3gir n ALA 53 Cb 0.51 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3gir n ALA 53 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gir n HIS 54 N -2.38 0.00 -3.69 0.00 8.25 0.57 -4.72 115.22 113.25 3gir n HIS 54 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 3gir n HIS 54 Cb 0.72 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.70 3gir n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gir s ALA 55 N -1.84 -0.64 -0.10 -1.41 0.00 -0.96 -1.37 121.76 115.46 3gir s ALA 55 Ca 0.00 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 3gir s ALA 55 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3gir s ALA 55 CO 0.00 -0.46 0.03 0.20 0.00 0.00 0.00 175.76 175.52 3gir s GLY 56 N 1.94 1.90 -0.19 0.00 0.00 0.44 -2.71 107.32 108.70 3gir s GLY 56 Ca -0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 3gir s GLY 56 CO -0.09 -0.50 -0.01 -2.27 0.00 0.00 0.00 173.10 170.23 3gir s LEU 57 N -0.82 3.25 -0.12 0.66 2.96 -0.04 -1.27 118.68 123.30 3gir s LEU 57 Ca 0.13 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3gir s LEU 57 Cb -0.12 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.76 3gir s LEU 57 CO 0.02 0.08 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.57 3gir s PHE 58 N 0.90 2.45 -0.49 5.38 0.08 -0.12 -0.78 117.98 125.41 3gir s PHE 58 Ca 0.01 -1.15 -0.24 0.00 0.12 0.00 0.00 56.93 55.67 3gir s PHE 58 Cb -0.14 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3gir s PHE 58 CO 0.02 -0.52 0.87 0.34 -0.10 0.00 0.00 175.22 175.83 3gir s ASP 59 N 0.72 6.41 -0.31 1.36 -1.08 -1.26 -0.90 116.67 121.60 3gir s ASP 59 Ca -0.10 -0.15 0.07 0.00 -0.52 0.00 0.00 52.55 51.84 3gir s ASP 59 Cb -0.16 -2.42 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 3gir s ASP 59 CO 0.01 -1.05 1.31 2.30 0.52 0.00 0.00 175.17 178.26 3gir n ILE 60 N 6.22 2.59 0.95 4.11 -5.35 0.01 -4.76 119.36 123.13 3gir n ILE 60 Ca 0.03 -3.75 0.10 0.00 -0.27 0.00 0.00 62.75 58.85 3gir n ILE 60 Cb 0.48 -0.89 0.50 0.00 -1.74 0.00 0.00 39.64 37.99 3gir n ILE 60 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3gir n SER 61 N -0.85 0.00 0.20 7.28 7.64 -1.06 -1.62 113.62 125.22 3gir n SER 61 Ca 0.40 -0.05 0.09 0.00 1.01 0.00 0.00 58.87 60.32 3gir n SER 61 Cb 0.90 -0.26 0.28 0.00 -1.01 0.00 0.00 64.21 64.12 3gir n SER 61 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3gir h HIS 62 N 0.00 0.00 -4.23 1.43 2.07 -1.89 -3.45 115.15 109.08 3gir h HIS 62 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3gir h HIS 62 Cb 0.17 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.27 3gir h HIS 62 CO 0.00 0.24 0.31 -1.64 -3.07 0.00 0.00 177.93 173.77 3gir s MET 63 N -3.34 1.93 -0.07 5.12 1.00 -0.64 -3.99 119.30 119.31 3gir s MET 63 Ca 0.03 0.82 0.02 0.00 0.00 0.00 0.00 55.69 56.56 3gir s MET 63 Cb 0.08 -1.89 0.01 0.00 0.00 0.00 0.00 34.83 33.04 3gir s MET 63 CO 0.67 -1.77 -0.12 0.21 0.00 0.00 0.00 175.02 174.00 3gir s LYS 64 N -5.03 1.76 -0.15 2.03 2.47 -0.76 -4.92 119.74 115.14 3gir s LYS 64 Ca 0.61 -0.42 -0.17 0.00 -1.56 0.00 0.00 55.97 54.43 3gir s LYS 64 Cb -0.16 -1.49 -0.04 0.00 -1.46 0.00 0.00 37.83 34.68 3gir s LYS 64 CO 0.56 -0.01 0.45 -0.51 0.16 0.00 0.00 175.35 176.00 3gir s LEU 65 N 0.80 4.23 -0.17 5.43 1.02 -1.26 -0.27 118.68 128.47 3gir s LEU 65 Ca -0.12 0.71 0.01 0.00 0.02 0.00 0.00 54.13 54.76 3gir s LEU 65 Cb -0.15 -2.63 0.02 0.00 0.02 0.00 0.00 46.19 43.44 3gir s LEU 65 CO 0.02 -0.03 -0.19 -0.63 0.02 0.00 0.00 176.35 175.54 3gir s ILE 66 N 0.86 1.99 0.18 -0.59 1.01 0.26 -1.04 121.20 123.87 3gir s ILE 66 Ca 0.24 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 3gir s ILE 66 Cb -0.15 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.44 3gir s ILE 66 CO 0.09 0.53 0.71 0.00 0.00 0.00 0.00 174.94 176.27 3gir s ALA 67 N 1.26 3.46 -0.14 9.38 0.00 0.07 -0.45 121.76 135.33 3gir s ALA 67 Ca 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 3gir s ALA 67 Cb -0.13 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3gir s ALA 67 CO -0.11 0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.97 3gir s VAL 68 N -1.35 1.26 -0.10 0.00 1.01 -0.37 -0.85 120.40 120.01 3gir s VAL 68 Ca 0.38 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 3gir s VAL 68 Cb -0.19 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3gir s VAL 68 CO 0.22 0.31 0.31 -1.61 0.00 0.00 0.00 175.10 174.33 3gir s GLU 69 N 1.60 0.43 0.00 2.72 2.02 -0.53 -0.67 118.70 124.27 3gir s GLU 69 Ca 0.03 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.33 3gir s GLU 69 Cb -0.14 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.30 3gir s GLU 69 CO -0.09 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.53 3gir n GLY 70 N 2.57 1.65 0.26 -1.39 0.00 -0.86 -0.05 105.19 107.37 3gir n GLY 70 Ca -0.15 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.45 3gir n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gir h PRO 71 N 0.00 0.00 -0.35 1.61 0.13 -1.83 -1.90 132.00 129.65 3gir h PRO 71 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3gir h PRO 71 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 3gir h PRO 71 CO 0.00 0.10 -0.01 1.63 -0.23 0.00 0.00 178.00 179.49 3gir n LYS 72 N -3.32 2.23 -0.25 0.86 4.76 -0.58 -4.72 118.16 117.14 3gir n LYS 72 Ca -0.00 -3.05 0.01 0.00 -2.87 0.00 0.00 58.31 52.40 3gir n LYS 72 Cb 0.31 -1.84 0.14 0.00 -1.84 0.00 0.00 35.03 31.79 3gir n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gir h ALA 73 N 1.26 0.99 -0.28 7.82 0.00 -1.52 -1.29 119.26 126.25 3gir h ALA 73 Ca 0.17 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3gir h ALA 73 Cb 1.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3gir h ALA 73 CO 0.37 -0.02 0.01 0.28 0.00 0.00 0.00 179.25 179.89 3gir h VAL 74 N 0.63 0.81 -0.48 0.00 2.07 -1.84 -0.75 116.25 116.71 3gir h VAL 74 Ca 0.35 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.72 3gir h VAL 74 Cb 0.34 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3gir h VAL 74 CO -0.25 0.02 -0.16 -0.33 0.02 0.00 0.00 177.57 176.86 3gir h GLU 75 N 0.10 0.92 -0.23 1.57 3.07 -1.86 -2.06 114.58 116.09 3gir h GLU 75 Ca 0.13 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3gir h GLU 75 Cb 0.16 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3gir h GLU 75 CO -0.21 1.01 0.14 0.35 -1.40 0.00 0.00 179.01 178.90 3gir h PHE 76 N 0.81 0.27 -0.53 4.33 3.57 -1.05 -2.59 116.94 121.75 3gir h PHE 76 Ca 0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3gir h PHE 76 Cb 0.70 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3gir h PHE 76 CO 0.04 0.16 0.09 -0.07 -2.23 0.00 0.00 178.31 176.30 3gir h LEU 77 N 0.29 0.78 -0.44 0.59 3.38 -1.02 0.17 115.31 119.05 3gir h LEU 77 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gir h LEU 77 Cb -0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3gir h LEU 77 CO -0.03 0.79 0.00 -1.20 0.09 0.00 0.00 178.44 178.09 3gir n SER 78 N -4.25 0.74 -0.02 -0.43 7.64 -0.78 -1.26 113.62 115.25 3gir n SER 78 Ca 0.03 0.63 -0.21 0.00 1.01 0.00 0.00 58.87 60.33 3gir n SER 78 Cb 0.25 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.51 3gir n SER 78 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3gir h TYR 79 N 0.00 0.33 -0.35 1.43 3.20 -0.98 -3.29 116.97 117.31 3gir h TYR 79 Ca 0.00 -0.24 -0.12 0.00 3.14 0.00 0.00 58.73 61.51 3gir h TYR 79 Cb 0.51 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3gir h TYR 79 CO 0.00 1.60 -0.28 0.00 -1.64 0.00 0.00 178.16 177.85 3gir h ALA 80 N -0.13 0.87 -2.47 1.82 0.00 -0.53 0.29 119.26 119.10 3gir h ALA 80 Ca -0.35 -0.39 -0.46 0.00 0.00 0.00 0.00 54.91 53.71 3gir h ALA 80 Cb 1.71 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.21 3gir h ALA 80 CO -0.01 0.63 -0.75 -0.51 0.00 0.00 0.00 179.25 178.62 3gir s LEU 81 N -8.80 2.51 -1.43 0.00 1.43 -0.39 -4.55 118.68 107.45 3gir s LEU 81 Ca -0.09 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 3gir s LEU 81 Cb 0.13 -0.69 0.06 0.00 0.03 0.00 0.00 46.19 45.71 3gir s LEU 81 CO 0.83 -0.14 2.26 -0.81 0.23 0.00 0.00 176.35 178.72 3gir n PRO 82 N -0.10 3.24 -4.15 1.29 -0.04 -1.26 -4.42 135.00 129.56 3gir n PRO 82 Ca -0.10 -2.81 -0.13 0.00 -0.04 0.00 0.00 63.50 60.42 3gir n PRO 82 Cb 0.59 -3.10 -0.11 0.00 -0.04 0.00 0.00 33.50 30.84 3gir n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gir s VAL 83 N 2.16 0.78 -0.83 0.52 -7.23 -1.26 -4.69 120.40 109.85 3gir s VAL 83 Ca 0.49 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.91 3gir s VAL 83 Cb 0.14 -1.32 0.22 0.00 0.56 0.00 0.00 36.38 35.97 3gir s VAL 83 CO -0.06 -0.63 0.76 -0.62 -0.31 0.00 0.00 175.10 174.23 3gir s ASP 84 N -2.49 6.53 0.52 4.85 -1.08 -1.26 -4.46 116.67 119.28 3gir s ASP 84 Ca 0.05 -2.89 0.21 0.00 -0.52 0.00 0.00 52.55 49.39 3gir s ASP 84 Cb -0.01 -2.13 1.36 0.00 -1.46 0.00 0.00 42.92 40.67 3gir s ASP 84 CO -0.02 -0.48 2.12 0.00 0.52 0.00 0.00 175.17 177.31 3gir h ALA 85 N 7.42 1.69 -0.21 3.66 0.00 -1.90 -1.93 119.26 127.99 3gir h ALA 85 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3gir h ALA 85 Cb 0.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3gir h ALA 85 CO 0.78 0.09 -0.30 0.00 0.00 0.00 0.00 179.25 179.81 3gir h ALA 86 N 1.93 1.09 0.00 0.00 0.00 -1.92 -2.94 119.26 117.42 3gir h ALA 86 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3gir h ALA 86 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gir h ALA 86 CO 0.01 0.57 -0.11 -0.07 0.00 0.00 0.00 179.25 179.65 3gir h LEU 87 N 0.37 0.00 -9.54 0.00 3.38 -1.78 -3.45 115.31 104.29 3gir h LEU 87 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 3gir h LEU 87 Cb 0.72 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.51 3gir h LEU 87 CO 0.06 0.10 1.04 -0.22 0.09 0.00 0.00 178.44 179.51 3gir s LEU 88 N -6.26 4.38 0.47 1.67 2.96 -1.11 -4.95 118.68 115.84 3gir s LEU 88 Ca 0.06 2.71 -0.20 0.00 -0.22 0.00 0.00 54.13 56.48 3gir s LEU 88 Cb 0.06 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.08 3gir s LEU 88 CO 0.69 -0.95 1.01 -0.54 -1.32 0.00 0.00 176.35 175.23 3gir s LYS 89 N 2.21 3.94 0.21 1.98 1.02 -1.26 -4.96 119.74 122.88 3gir s LYS 89 Ca 0.77 1.26 -0.32 0.00 0.02 0.00 0.00 55.97 57.70 3gir s LYS 89 Cb -0.45 -2.12 -0.13 0.00 -0.52 0.00 0.00 37.83 34.60 3gir s LYS 89 CO 0.34 -0.30 1.49 -0.89 -0.92 0.00 0.00 175.35 175.07 3gir n ILE 90 N -0.90 0.58 0.00 2.17 5.41 -1.26 -1.41 119.36 123.94 3gir n ILE 90 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3gir n ILE 90 Cb 0.53 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 3gir n ILE 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gir n GLY 91 N 2.65 1.79 3.85 7.39 0.00 0.11 -5.00 105.19 115.97 3gir n GLY 91 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3gir n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gir s GLN 92 N -0.43 3.86 0.05 1.61 2.00 -0.50 -0.27 119.66 125.98 3gir s GLN 92 Ca 0.00 0.33 0.04 0.00 -2.00 0.00 0.00 55.36 53.74 3gir s GLN 92 Cb 0.00 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 3gir s GLN 92 CO 0.00 0.66 -0.05 -1.12 -0.50 0.00 0.00 175.29 174.27 3gir s SER 93 N -1.27 4.71 0.00 6.67 0.01 -0.13 -1.75 113.70 121.95 3gir s SER 93 Ca 0.26 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3gir s SER 93 Cb -0.16 -1.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.00 3gir s SER 93 CO 0.14 0.23 -0.02 -0.13 0.41 0.00 0.00 173.24 173.88 3gir s ARG 94 N -1.85 0.12 0.15 12.44 0.52 0.60 -4.86 118.95 126.08 3gir s ARG 94 Ca 0.21 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 3gir s ARG 94 Cb -0.11 -0.09 -0.07 0.00 0.52 0.00 0.00 34.95 35.19 3gir s ARG 94 CO 0.12 0.02 1.10 -0.47 0.02 0.00 0.00 175.30 176.09 3gir s TYR 95 N -0.13 3.59 0.00 -0.53 5.04 -1.26 -1.19 117.35 122.87 3gir s TYR 95 Ca -0.01 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 3gir s TYR 95 Cb -0.01 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3gir s TYR 95 CO -0.00 -0.61 0.00 0.45 -1.34 0.00 0.00 175.55 174.05 3gir n SER 96 N 2.67 0.00 -3.62 4.32 2.88 -0.27 -4.88 113.62 114.71 3gir n SER 96 Ca 0.04 -0.95 -0.16 0.00 -1.33 0.00 0.00 58.87 56.47 3gir n SER 96 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 3gir n SER 96 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3gir s TYR 97 N -5.89 -0.54 -0.24 0.66 -0.85 -1.26 -0.96 117.35 108.26 3gir s TYR 97 Ca 0.00 1.04 -0.24 0.00 -0.52 0.00 0.00 57.07 57.35 3gir s TYR 97 Cb 0.00 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 3gir s TYR 97 CO 0.00 -0.47 0.80 -1.17 -1.52 0.00 0.00 175.55 173.18 3gir s LEU 98 N -0.82 4.08 0.04 -3.49 2.96 -0.34 -4.29 118.68 116.82 3gir s LEU 98 Ca -0.09 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3gir s LEU 98 Cb -0.02 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 3gir s LEU 98 CO 0.06 -0.49 0.06 -0.76 -1.32 0.00 0.00 176.35 173.90 3gir s LEU 99 N 2.78 3.77 0.00 -0.68 1.43 -1.26 -0.49 118.68 124.23 3gir s LEU 99 Ca 0.33 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 3gir s LEU 99 Cb -0.15 -2.33 0.16 0.00 0.03 0.00 0.00 46.19 43.90 3gir s LEU 99 CO 0.07 0.22 0.98 -0.46 0.23 0.00 0.00 176.35 177.39 3gir n ASN 100 N 0.86 0.31 0.29 2.29 0.23 -0.21 -4.68 115.26 114.34 3gir n ASN 100 Ca -0.11 -1.50 0.17 0.00 -0.53 0.00 0.00 54.58 52.61 3gir n ASN 100 Cb 0.52 -0.72 0.86 0.00 -2.08 0.00 0.00 39.78 38.35 3gir n ASN 100 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gir h GLU 101 N 0.00 0.00 -0.70 -3.83 -0.00 -1.91 -0.26 114.58 107.87 3gir h GLU 101 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 3gir h GLU 101 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.68 3gir h GLU 101 CO 0.25 0.06 0.00 0.54 -0.00 0.00 0.00 179.01 179.85 3gir n ARG 102 N -3.36 3.02 -1.48 1.06 1.74 -1.26 -4.41 116.66 111.97 3gir n ARG 102 Ca -0.02 -2.68 -0.16 0.00 -0.77 0.00 0.00 57.85 54.22 3gir n ARG 102 Cb 0.21 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 3gir n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gir n ALA 103 N 1.46 -0.25 -1.67 7.54 0.00 -0.11 -4.76 120.51 122.72 3gir n ALA 103 Ca 0.25 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3gir n ALA 103 Cb 0.70 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.47 3gir n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gir s GLY 104 N -2.82 2.23 -0.54 0.00 0.00 -1.26 -4.02 107.32 100.91 3gir s GLY 104 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 44.72 44.99 3gir s GLY 104 CO 0.00 0.82 0.81 -0.42 0.00 0.00 0.00 173.10 174.30 3gir s ILE 105 N -2.30 4.59 0.23 0.90 1.01 -0.87 -1.04 121.20 123.73 3gir s ILE 105 Ca 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 3gir s ILE 105 Cb -0.17 -4.44 0.05 0.00 0.01 0.00 0.00 42.46 37.90 3gir s ILE 105 CO 0.34 -1.00 1.66 -0.07 0.00 0.00 0.00 174.94 175.87 3gir h LEU 106 N 10.44 0.70 -7.00 2.97 3.38 -1.07 -2.46 115.31 122.28 3gir h LEU 106 Ca -0.27 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3gir h LEU 106 Cb 1.08 -0.19 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 3gir h LEU 106 CO 1.04 0.91 0.47 -0.62 0.09 0.00 0.00 178.44 180.33 3gir s ASP 107 N -6.76 -0.43 0.10 -0.43 2.15 -1.22 -4.83 116.67 105.24 3gir s ASP 107 Ca -0.09 0.51 -0.02 0.00 0.43 0.00 0.00 52.55 53.38 3gir s ASP 107 Cb 0.13 0.40 -0.05 0.00 -0.30 0.00 0.00 42.92 43.11 3gir s ASP 107 CO 0.82 -0.38 0.28 1.51 -0.17 0.00 0.00 175.17 177.24 3gir s ASP 108 N -1.01 6.41 0.08 -0.34 -4.77 -1.26 -1.19 116.67 114.59 3gir s ASP 108 Ca -0.03 0.39 -0.07 0.00 -3.30 0.00 0.00 52.55 49.54 3gir s ASP 108 Cb -0.01 -2.01 -0.01 0.00 -1.09 0.00 0.00 42.92 39.80 3gir s ASP 108 CO 0.03 0.11 0.14 -0.76 0.70 0.00 0.00 175.17 175.39 3gir s LEU 109 N -2.62 1.65 -0.14 2.11 1.43 -0.14 -4.35 118.68 116.61 3gir s LEU 109 Ca 0.37 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3gir s LEU 109 Cb -0.13 0.86 -0.00 0.00 0.03 0.00 0.00 46.19 46.95 3gir s LEU 109 CO 0.27 -0.70 -0.17 -0.63 0.23 0.00 0.00 176.35 175.35 3gir s ILE 110 N -3.86 2.62 -0.17 -0.59 -1.09 -1.14 -1.12 121.20 115.85 3gir s ILE 110 Ca 0.05 -0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 57.62 3gir s ILE 110 Cb 0.05 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 3gir s ILE 110 CO -0.11 0.53 -0.00 -0.22 -1.23 0.00 0.00 174.94 173.91 3gir s LEU 111 N 0.64 3.40 -0.07 2.97 2.96 -0.33 -1.10 118.68 127.15 3gir s LEU 111 Ca -0.09 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3gir s LEU 111 Cb -0.16 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3gir s LEU 111 CO 0.03 0.14 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.16 3gir s THR 112 N 0.52 1.33 -0.08 3.68 2.01 0.11 -0.29 115.64 122.92 3gir s THR 112 Ca -0.01 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 3gir s THR 112 Cb -0.14 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3gir s THR 112 CO 0.02 0.40 0.74 -0.60 -0.69 0.00 0.00 174.62 174.48 3gir s ARG 113 N 0.51 4.41 -0.06 4.92 3.52 -0.71 -0.75 118.95 130.79 3gir s ARG 113 Ca -0.14 0.93 0.13 0.00 -0.13 0.00 0.00 55.73 56.52 3gir s ARG 113 Cb -0.15 -3.47 -0.20 0.00 -1.56 0.00 0.00 34.95 29.57 3gir s ARG 113 CO 0.04 -0.02 0.21 1.28 -0.81 0.00 0.00 175.30 176.00 3gir n LEU 114 N 4.07 0.00 -3.84 -0.88 4.77 0.36 0.07 117.00 121.55 3gir n LEU 114 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3gir n LEU 114 Cb 0.51 0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3gir n LEU 114 CO 0.47 0.13 0.65 0.00 -1.33 0.00 0.00 177.39 177.31 3gir s ALA 115 N -2.72 -1.12 0.28 -1.18 0.00 -0.80 -4.70 121.76 111.52 3gir s ALA 115 Ca -0.06 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3gir s ALA 115 Cb 0.07 0.71 0.49 0.00 0.00 0.00 0.00 23.12 24.39 3gir s ALA 115 CO 0.57 -1.02 1.88 1.49 0.00 0.00 0.00 175.76 178.68 3gir h GLU 116 N 2.00 1.05 0.00 0.00 4.57 -2.00 -3.06 114.58 117.14 3gir h GLU 116 Ca -0.30 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.80 3gir h GLU 116 Cb 1.24 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.54 3gir h GLU 116 CO 0.38 0.70 -0.52 0.00 -1.18 0.00 0.00 179.01 178.38 3gir s ARG 118 N -2.77 0.06 0.12 0.00 0.52 -1.16 -2.03 118.95 113.69 3gir s ARG 118 Ca 0.36 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.72 3gir s ARG 118 Cb 0.36 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 3gir s ARG 118 CO -0.07 -0.15 -0.02 -0.06 0.02 0.00 0.00 175.30 175.03 3gir s PHE 119 N 0.98 0.91 -0.02 -0.53 0.08 0.16 -0.48 117.98 119.07 3gir s PHE 119 Ca -0.09 -1.03 0.05 0.00 0.12 0.00 0.00 56.93 55.98 3gir s PHE 119 Cb -0.12 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.78 3gir s PHE 119 CO -0.02 -0.28 -0.15 1.41 -0.10 0.00 0.00 175.22 176.08 3gir s MET 120 N -3.91 1.29 -0.02 0.44 -2.45 0.07 -1.23 119.30 113.48 3gir s MET 120 Ca 0.17 -0.54 0.06 0.00 -1.25 0.00 0.00 55.69 54.12 3gir s MET 120 Cb 0.06 -1.22 -0.03 0.00 1.25 0.00 0.00 34.83 34.90 3gir s MET 120 CO -0.02 0.31 -0.19 -0.51 1.05 0.00 0.00 175.02 175.66 3gir s LEU 121 N -0.28 2.50 -0.18 4.11 1.43 0.41 -0.72 118.68 125.94 3gir s LEU 121 Ca 0.04 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3gir s LEU 121 Cb -0.07 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3gir s LEU 121 CO -0.00 0.32 -0.10 -0.69 0.23 0.00 0.00 176.35 176.11 3gir s VAL 122 N -0.74 3.07 0.08 -1.59 1.01 -0.26 -0.57 120.40 121.40 3gir s VAL 122 Ca 0.12 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3gir s VAL 122 Cb -0.10 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3gir s VAL 122 CO 0.01 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.60 3gir s ALA 123 N 1.08 3.35 0.60 5.51 0.00 0.63 -2.91 121.76 130.03 3gir s ALA 123 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 3gir s ALA 123 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3gir s ALA 123 CO -0.02 0.71 1.12 -0.80 0.00 0.00 0.00 175.76 176.77 3gir s ASN 124 N -2.30 5.44 0.17 0.00 -0.87 -1.26 -1.83 114.94 114.29 3gir s ASN 124 Ca 0.26 2.09 -0.15 0.00 -1.57 0.00 0.00 52.86 53.49 3gir s ASN 124 Cb -0.12 -2.57 0.12 0.00 -0.02 0.00 0.00 41.25 38.67 3gir s ASN 124 CO 0.19 -1.41 1.70 0.00 -2.57 0.00 0.00 177.10 175.01 3gir h ALA 125 N 0.65 0.40 0.00 0.60 0.00 -1.92 -1.88 119.26 117.12 3gir h ALA 125 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gir h ALA 125 Cb 1.25 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3gir h ALA 125 CO 0.56 -0.38 0.00 0.78 0.00 0.00 0.00 179.25 180.21 3gir h GLY 126 N 0.12 0.00 -0.84 0.00 0.00 -1.88 -3.14 103.07 97.34 3gir h GLY 126 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3gir h GLY 126 CO -0.33 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.91 3gir n ASN 127 N -3.01 2.10 -0.09 0.19 5.03 -0.82 -4.76 115.26 113.89 3gir n ASN 127 Ca 0.00 -1.59 -0.10 0.00 0.87 0.00 0.00 54.58 53.77 3gir n ASN 127 Cb 0.27 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.94 3gir n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gir h ALA 128 N 1.77 0.36 -0.08 5.41 0.00 -1.31 0.20 119.26 125.61 3gir h ALA 128 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3gir h ALA 128 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gir h ALA 128 CO 0.00 -0.05 0.01 0.37 0.00 0.00 0.00 179.25 179.59 3gir h GLN 129 N 0.31 0.14 -0.81 0.00 4.15 -1.86 -1.36 115.11 115.67 3gir h GLN 129 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3gir h GLN 129 Cb 0.17 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3gir h GLN 129 CO -0.01 0.35 0.45 0.00 -1.93 0.00 0.00 178.83 177.69 3gir h ALA 130 N 0.78 1.04 -0.09 3.38 0.00 -1.85 -1.73 119.26 120.79 3gir h ALA 130 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gir h ALA 130 Cb 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gir h ALA 130 CO 0.00 0.55 0.05 -0.44 0.00 0.00 0.00 179.25 179.41 3gir h ASP 131 N 1.13 0.11 -0.56 0.00 3.32 -0.53 -1.36 116.42 118.54 3gir h ASP 131 Ca 0.29 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.30 3gir h ASP 131 Cb 0.03 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3gir h ASP 131 CO -0.05 0.16 0.32 0.15 -1.72 0.00 0.00 179.24 178.10 3gir h PHE 132 N 0.06 0.59 -0.74 4.55 3.57 -1.10 0.24 116.94 124.11 3gir h PHE 132 Ca 0.03 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gir h PHE 132 Cb 0.07 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3gir h PHE 132 CO -0.05 0.32 0.29 0.00 -2.23 0.00 0.00 178.31 176.64 3gir h ALA 133 N 1.27 0.97 -0.25 2.41 0.00 -1.08 -1.27 119.26 121.31 3gir h ALA 133 Ca 0.24 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3gir h ALA 133 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gir h ALA 133 CO -0.13 0.59 -0.58 1.49 0.00 0.00 0.00 179.25 180.62 3gir h GLU 134 N 1.07 0.80 -0.72 0.00 4.57 -0.96 -2.19 114.58 117.15 3gir h GLU 134 Ca 0.25 -0.52 -0.04 0.00 -1.18 0.00 0.00 59.36 57.86 3gir h GLU 134 Cb 0.22 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3gir h GLU 134 CO -0.02 1.15 0.29 -0.07 -1.18 0.00 0.00 179.01 179.19 3gir h LEU 135 N 0.60 0.99 -0.77 1.64 3.38 -0.67 -0.80 115.31 119.68 3gir h LEU 135 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3gir h LEU 135 Cb 1.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3gir h LEU 135 CO 0.12 0.89 0.51 -0.08 0.09 0.00 0.00 178.44 179.97 3gir h GLU 136 N 1.03 1.01 -0.41 1.13 4.81 -1.15 -0.71 114.58 120.29 3gir h GLU 136 Ca 0.24 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3gir h GLU 136 Cb 0.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3gir h GLU 136 CO -0.02 0.67 -0.18 0.87 -0.73 0.00 0.00 179.01 179.62 3gir h LYS 137 N 1.04 0.85 0.00 1.92 1.57 -0.99 -2.69 116.57 118.26 3gir h LYS 137 Ca 0.29 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gir h LYS 137 Cb -0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3gir h LYS 137 CO -0.07 1.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 3gir h ARG 138 N 0.66 0.00 -0.00 3.15 3.08 -0.74 -2.30 114.38 118.23 3gir h ARG 138 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3gir h ARG 138 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3gir h ARG 138 CO 0.06 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.82 3gir n ALA 139 N -2.08 2.78 -0.25 0.04 0.00 -0.31 -4.42 120.51 116.27 3gir n ALA 139 Ca -0.01 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.24 3gir n ALA 139 Cb 0.22 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.53 3gir n ALA 139 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3gir h PHE 140 N 0.39 0.43 0.00 0.00 0.04 -1.19 0.23 116.94 116.84 3gir h PHE 140 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3gir h PHE 140 Cb 0.40 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3gir h PHE 140 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3gir n GLY 141 N -1.33 -1.42 3.73 -1.45 0.00 -1.26 -4.90 105.19 98.56 3gir n GLY 141 Ca 0.14 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3gir n GLY 141 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gir s PHE 142 N -3.19 3.07 -1.30 1.61 0.08 0.07 -5.01 117.98 113.30 3gir s PHE 142 Ca 0.07 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.97 3gir s PHE 142 Cb 0.11 -1.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.11 3gir s PHE 142 CO 0.46 0.50 1.77 0.39 -0.10 0.00 0.00 175.22 178.24 3gir n GLU 143 N 0.34 3.23 -3.59 0.44 1.02 -1.26 -4.87 120.64 115.95 3gir n GLU 143 Ca -0.10 -3.33 -0.09 0.00 -0.02 0.00 0.00 57.16 53.63 3gir n GLU 143 Cb 0.52 -3.28 -0.02 0.00 -0.02 0.00 0.00 31.44 28.64 3gir n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gir s GLN 145 N -3.53 1.76 -0.14 0.00 -1.52 0.93 -4.97 119.66 112.18 3gir s GLN 145 Ca 0.06 -1.15 0.02 0.00 -1.95 0.00 0.00 55.36 52.33 3gir s GLN 145 Cb -0.02 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.74 3gir s GLN 145 CO -0.05 0.50 -0.19 0.08 -0.25 0.00 0.00 175.29 175.37 3gir s VAL 146 N -0.95 2.35 -0.08 1.09 1.01 -1.26 -1.45 120.40 121.11 3gir s VAL 146 Ca 0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3gir s VAL 146 Cb -0.10 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3gir s VAL 146 CO 0.05 0.54 -0.03 -0.63 0.00 0.00 0.00 175.10 175.02 3gir s ILE 147 N 0.73 0.62 -0.10 2.22 1.01 -0.03 -4.99 121.20 120.67 3gir s ILE 147 Ca -0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 3gir s ILE 147 Cb -0.16 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 3gir s ILE 147 CO 0.01 0.29 0.99 0.00 0.00 0.00 0.00 174.94 176.23 3gir s ALA 148 N 1.71 3.38 0.07 9.38 0.00 -1.26 -0.75 121.76 134.29 3gir s ALA 148 Ca 0.02 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 3gir s ALA 148 Cb -0.13 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3gir s ALA 148 CO -0.05 -0.55 0.28 -0.51 0.00 0.00 0.00 175.76 174.92 3gir s LEU 149 N 1.88 4.33 -0.41 0.00 1.43 -0.20 -4.96 118.68 120.75 3gir s LEU 149 Ca 0.48 0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 3gir s LEU 149 Cb -0.18 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.08 3gir s LEU 149 CO 0.19 0.16 0.45 -1.61 0.23 0.00 0.00 176.35 175.77 3gir s GLU 150 N -2.31 3.21 0.05 1.70 0.41 -1.26 -4.52 118.70 115.98 3gir s GLU 150 Ca 0.34 -0.64 -0.10 0.00 -0.41 0.00 0.00 54.97 54.17 3gir s GLU 150 Cb -0.13 -3.93 0.00 0.00 -1.78 0.00 0.00 34.13 28.29 3gir s GLU 150 CO 0.23 -0.81 0.20 1.03 -0.49 0.00 0.00 175.26 175.42 3gir s ARG 151 N 2.20 0.72 0.11 1.61 1.81 -1.26 -4.44 118.95 119.70 3gir s ARG 151 Ca 0.13 -0.68 -0.15 0.00 -1.72 0.00 0.00 55.73 53.32 3gir s ARG 151 Cb -0.17 0.30 -0.07 0.00 -0.45 0.00 0.00 34.95 34.57 3gir s ARG 151 CO 0.14 -0.21 0.53 0.08 -0.68 0.00 0.00 175.30 175.15 3gir s VAL 152 N -2.78 4.87 -0.09 3.52 1.01 -0.53 -4.89 120.40 121.52 3gir s VAL 152 Ca -0.03 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.82 3gir s VAL 152 Cb -0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3gir s VAL 152 CO -0.05 0.34 -0.09 -0.22 0.00 0.00 0.00 175.10 175.08 3gir s LEU 153 N -1.71 1.37 -0.03 3.92 2.96 -1.26 -1.54 118.68 122.39 3gir s LEU 153 Ca 0.34 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3gir s LEU 153 Cb -0.16 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 3gir s LEU 153 CO 0.18 -0.06 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.14 3gir s LEU 154 N 1.26 2.06 -0.10 -0.68 1.43 -0.32 -0.81 118.68 121.51 3gir s LEU 154 Ca -0.04 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3gir s LEU 154 Cb -0.14 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3gir s LEU 154 CO -0.03 0.30 -0.01 0.00 0.23 0.00 0.00 176.35 176.83 3gir s ALA 155 N -0.47 3.19 -0.22 4.21 0.00 -0.08 -0.70 121.76 127.69 3gir s ALA 155 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3gir s ALA 155 Cb -0.11 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.58 3gir s ALA 155 CO 0.00 0.50 -0.07 -1.17 0.00 0.00 0.00 175.76 175.02 3gir s LEU 156 N -0.58 2.49 0.01 0.00 2.96 0.29 -0.95 118.68 122.90 3gir s LEU 156 Ca 0.09 -1.09 0.03 0.00 -0.22 0.00 0.00 54.13 52.94 3gir s LEU 156 Cb -0.12 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 3gir s LEU 156 CO 0.02 -0.21 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.66 3gir s GLN 157 N 1.39 0.64 0.00 1.98 -1.52 -0.39 -0.48 119.66 121.27 3gir s GLN 157 Ca -0.05 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 3gir s GLN 157 Cb -0.18 -0.59 0.00 0.00 -0.22 0.00 0.00 33.01 32.02 3gir s GLN 157 CO -0.07 0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.54 3gir n GLY 158 N 2.56 2.08 0.24 3.09 0.00 -0.25 -0.42 105.19 112.49 3gir n GLY 158 Ca -0.15 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.02 3gir n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gir h PRO 159 N 0.00 0.00 -0.11 1.61 0.13 -1.64 -1.69 132.00 130.30 3gir h PRO 159 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gir h PRO 159 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gir h PRO 159 CO 0.00 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.81 3gir n GLN 160 N -2.80 2.23 -0.16 0.86 6.02 -0.47 -4.62 117.38 118.43 3gir n GLN 160 Ca 0.00 -1.95 -0.06 0.00 -0.01 0.00 0.00 57.00 54.99 3gir n GLN 160 Cb 0.22 -1.45 0.04 0.00 1.02 0.00 0.00 30.24 30.07 3gir n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gir h ALA 161 N 4.44 0.64 -0.89 -1.58 0.00 -1.44 -0.80 119.26 119.62 3gir h ALA 161 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gir h ALA 161 Cb 0.95 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3gir h ALA 161 CO 0.00 -0.02 0.50 0.00 0.00 0.00 0.00 179.25 179.74 3gir h ALA 162 N 1.23 1.21 -0.40 0.00 0.00 -1.82 -0.28 119.26 119.19 3gir h ALA 162 Ca 0.20 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3gir h ALA 162 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gir h ALA 162 CO -0.10 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 3gir h ALA 163 N 1.31 0.58 -0.28 0.00 0.00 -1.78 -1.50 119.26 117.59 3gir h ALA 163 Ca 0.32 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gir h ALA 163 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gir h ALA 163 CO -0.05 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.26 3gir h VAL 164 N 0.73 1.05 0.03 0.00 2.07 -0.85 -0.04 116.25 119.24 3gir h VAL 164 Ca 0.08 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3gir h VAL 164 Cb 0.87 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3gir h VAL 164 CO 0.08 0.07 -0.16 0.25 0.02 0.00 0.00 177.57 177.83 3gir h LEU 165 N 0.36 -0.45 -0.45 2.57 5.85 -0.88 -0.57 115.31 121.73 3gir h LEU 165 Ca 0.11 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3gir h LEU 165 Cb -0.02 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3gir h LEU 165 CO -0.04 -0.22 0.18 0.00 -0.34 0.00 0.00 178.44 178.02 3gir h ALA 166 N 0.63 0.55 0.00 1.25 0.00 -1.00 -2.28 119.26 118.41 3gir h ALA 166 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gir h ALA 166 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gir h ALA 166 CO -0.13 -0.20 -0.04 -0.44 0.00 0.00 0.00 179.25 178.44 3gir h ASP 167 N 0.36 0.00 0.15 0.00 3.32 -0.68 -1.01 116.42 118.56 3gir h ASP 167 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gir h ASP 167 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3gir h ASP 167 CO -0.20 0.04 -0.02 0.00 -1.72 0.00 0.00 179.24 177.35 3gir n ALA 168 N -2.12 2.65 -1.24 3.45 0.00 -0.25 -4.92 120.51 118.08 3gir n ALA 168 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 3gir n ALA 168 Cb 0.34 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 3gir n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gir n GLY 169 N 1.12 0.68 3.81 0.00 0.00 -0.38 -5.04 105.19 105.38 3gir n GLY 169 Ca 0.20 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3gir n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gir s LEU 170 N -1.11 4.18 0.64 0.99 1.43 -0.90 -5.04 118.68 118.88 3gir s LEU 170 Ca 0.00 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 3gir s LEU 170 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3gir s LEU 170 CO 0.00 0.36 1.06 -2.16 0.23 0.00 0.00 176.35 175.84 3gir s PRO 171 N -0.76 3.15 0.00 1.29 0.04 -1.26 -4.17 135.00 133.28 3gir s PRO 171 Ca 0.13 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3gir s PRO 171 Cb -0.12 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3gir s PRO 171 CO 0.03 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3gir n GLY 172 N -1.55 0.69 0.33 0.56 0.00 -1.26 -5.00 105.19 98.96 3gir n GLY 172 Ca 0.08 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.32 3gir n GLY 172 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gir h ASN 173 N 0.00 0.00 1.23 1.61 2.35 -1.91 -0.70 115.58 118.16 3gir h ASN 173 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gir h ASN 173 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gir h ASN 173 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 3gir n GLU 174 N -3.08 0.23 -2.25 0.81 -0.58 -1.26 -4.85 120.64 109.66 3gir n GLU 174 Ca -0.02 0.26 -0.36 0.00 -0.42 0.00 0.00 57.16 56.62 3gir n GLU 174 Cb 0.12 -1.81 -0.00 0.00 -0.57 0.00 0.00 31.44 29.18 3gir n GLU 174 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3gir s LEU 175 N -4.43 3.85 0.51 -4.62 1.43 -0.27 -5.05 118.68 110.10 3gir s LEU 175 Ca 0.09 2.24 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 3gir s LEU 175 Cb 0.12 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 3gir s LEU 175 CO 0.53 -1.12 0.80 -0.76 0.23 0.00 0.00 176.35 176.03 3gir s LEU 176 N -3.50 3.50 0.16 1.79 1.43 -1.26 -5.00 118.68 115.79 3gir s LEU 176 Ca 0.69 0.71 -0.33 0.00 -1.03 0.00 0.00 54.13 54.17 3gir s LEU 176 Cb -0.26 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.20 3gir s LEU 176 CO 0.30 -0.77 1.18 0.33 0.23 0.00 0.00 176.35 177.63 3gir n PHE 177 N -2.33 1.31 -2.67 0.29 7.35 -1.26 -2.04 117.46 118.11 3gir n PHE 177 Ca 0.02 0.68 -0.21 0.00 -0.76 0.00 0.00 57.45 57.18 3gir n PHE 177 Cb 0.57 -2.28 0.01 0.00 0.35 0.00 0.00 39.48 38.12 3gir n PHE 177 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3gir n MET 178 N 1.85 -3.12 -4.24 -4.13 2.81 0.07 -4.99 117.12 105.36 3gir n MET 178 Ca 0.15 0.95 -0.23 0.00 -1.81 0.00 0.00 57.70 56.76 3gir n MET 178 Cb 0.24 -5.67 -0.07 0.00 -0.71 0.00 0.00 33.22 27.01 3gir n MET 178 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3gir s GLN 179 N -5.33 2.45 0.16 0.03 -0.21 -0.86 -0.96 119.66 114.94 3gir s GLN 179 Ca 0.14 -1.28 -0.11 0.00 0.02 0.00 0.00 55.36 54.13 3gir s GLN 179 Cb -0.06 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.67 3gir s GLN 179 CO 0.17 0.39 0.32 0.20 -2.12 0.00 0.00 175.29 174.25 3gir s GLY 180 N -3.58 0.27 0.30 3.09 0.00 0.63 -1.19 107.32 106.85 3gir s GLY 180 Ca 0.31 -0.68 -0.19 0.00 0.00 0.00 0.00 44.72 44.16 3gir s GLY 180 CO 0.21 -0.69 0.81 -0.11 0.00 0.00 0.00 173.10 173.31 3gir s PHE 181 N -3.93 -0.02 -0.36 1.90 -0.00 -0.12 -4.39 117.98 111.06 3gir s PHE 181 Ca 0.13 -0.51 0.02 0.00 -0.00 0.00 0.00 56.93 56.57 3gir s PHE 181 Cb 0.03 0.76 0.10 0.00 -0.00 0.00 0.00 43.02 43.91 3gir s PHE 181 CO -0.03 -1.32 0.10 -1.21 -0.00 0.00 0.00 175.22 172.76 3gir s GLU 182 N -2.99 1.66 0.33 1.99 2.02 -1.26 -1.10 118.70 119.35 3gir s GLU 182 Ca 0.14 -1.85 0.26 0.00 0.02 0.00 0.00 54.97 53.54 3gir s GLU 182 Cb -0.05 -3.32 0.89 0.00 0.10 0.00 0.00 34.13 31.75 3gir s GLU 182 CO 0.08 -0.97 1.77 -1.00 0.02 0.00 0.00 175.26 175.16 3gir h PRO 183 N 7.75 0.00 -2.93 0.39 0.13 -1.95 -3.45 132.00 131.95 3gir h PRO 183 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 3gir h PRO 183 Cb 1.03 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.99 3gir h PRO 183 CO 0.57 0.00 -0.06 -1.14 -0.23 0.00 0.00 178.00 177.14 3gir s GLN 184 N -3.29 0.95 -0.05 0.86 2.00 -1.26 -5.07 119.66 113.79 3gir s GLN 184 Ca 0.06 -0.30 -0.40 0.00 -2.00 0.00 0.00 55.36 52.72 3gir s GLN 184 Cb 0.09 0.43 -0.19 0.00 0.80 0.00 0.00 33.01 34.14 3gir s GLN 184 CO 0.53 -0.33 1.24 0.94 -0.50 0.00 0.00 175.29 177.17 3gir n GLN 185 N 0.52 0.34 -0.96 1.67 -0.06 -1.26 -1.32 117.38 116.30 3gir n GLN 185 Ca -0.19 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 3gir n GLN 185 Cb 0.60 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 3gir n GLN 185 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3gir n ASP 186 N 2.26 -4.16 -4.75 1.69 8.00 -1.26 -4.96 116.55 113.37 3gir n ASP 186 Ca 0.21 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.40 3gir n ASP 186 Cb 0.09 -2.17 -0.07 0.00 -0.02 0.00 0.00 41.12 38.95 3gir n ASP 186 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3gir s TRP 187 N -1.51 3.14 -0.06 1.24 0.52 -0.43 -4.04 118.94 117.80 3gir s TRP 187 Ca 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 56.10 56.16 3gir s TRP 187 Cb 0.00 -1.62 0.04 0.00 -1.15 0.00 0.00 33.47 30.74 3gir s TRP 187 CO 0.00 0.51 0.11 0.12 0.02 0.00 0.00 176.95 177.71 3gir s PHE 188 N -1.32 -0.07 -0.06 -1.98 5.36 -0.25 -4.23 117.98 115.43 3gir s PHE 188 Ca 0.27 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.70 3gir s PHE 188 Cb -0.12 -0.32 -0.00 0.00 -0.34 0.00 0.00 43.02 42.23 3gir s PHE 188 CO 0.19 -0.21 -0.22 0.42 -1.46 0.00 0.00 175.22 173.94 3gir s ILE 189 N 2.01 1.80 0.08 3.12 1.01 -0.26 -0.96 121.20 128.00 3gir s ILE 189 Ca 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.83 3gir s ILE 189 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3gir s ILE 189 CO -0.04 0.51 -0.19 0.42 0.00 0.00 0.00 174.94 175.63 3gir s THR 190 N 0.08 1.55 -0.98 2.92 -4.23 -0.34 -0.94 115.64 113.69 3gir s THR 190 Ca -0.08 -1.39 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 3gir s THR 190 Cb -0.14 -1.41 0.21 0.00 1.34 0.00 0.00 72.50 72.50 3gir s THR 190 CO 0.04 -0.03 1.03 -0.60 -0.54 0.00 0.00 174.62 174.52 3gir s ARG 191 N -1.67 3.83 0.39 3.99 3.52 -0.34 -0.94 118.95 127.73 3gir s ARG 191 Ca 0.05 -2.54 -0.15 0.00 -0.13 0.00 0.00 55.73 52.96 3gir s ARG 191 Cb -0.10 -4.65 0.06 0.00 -1.56 0.00 0.00 34.95 28.70 3gir s ARG 191 CO 0.03 -1.44 0.79 -1.13 -0.81 0.00 0.00 175.30 172.74 3gir n SER 192 N 4.40 -2.27 0.00 -2.12 3.41 -0.93 -0.75 113.62 115.36 3gir n SER 192 Ca 0.22 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 3gir n SER 192 Cb 0.45 3.79 0.00 0.00 -0.26 0.00 0.00 64.21 68.18 3gir n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gir n GLY 193 N -0.54 -0.58 1.99 5.00 0.00 -1.26 -3.18 105.19 106.62 3gir n GLY 193 Ca -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.25 3gir n GLY 193 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gir n TYR 194 N 3.71 0.63 0.00 1.61 9.36 -1.26 -4.86 117.16 126.36 3gir n TYR 194 Ca 0.00 -1.30 0.00 0.00 3.32 0.00 0.00 57.90 59.92 3gir n TYR 194 Cb 0.00 -0.20 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 3gir n TYR 194 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3gir n THR 195 N -0.10 0.00 -0.99 2.97 -2.24 -1.26 -3.48 114.28 109.18 3gir n THR 195 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3gir n THR 195 Cb 0.97 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3gir n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gir n GLY 196 N 2.15 0.84 4.00 3.38 0.00 -1.26 -4.64 105.19 109.66 3gir n GLY 196 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3gir n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gir s GLU 197 N -0.01 2.58 0.88 1.61 0.41 -1.26 0.00 118.70 122.90 3gir s GLU 197 Ca 0.00 -1.16 -0.10 0.00 -0.41 0.00 0.00 54.97 53.30 3gir s GLU 197 Cb 0.00 -2.63 0.12 0.00 -1.78 0.00 0.00 34.13 29.84 3gir s GLU 197 CO 0.00 -0.58 1.14 0.34 -0.49 0.00 0.00 175.26 175.67 3gir s ASP 198 N -4.45 3.25 0.00 -0.19 2.15 -1.06 -4.52 116.67 111.85 3gir s ASP 198 Ca 0.58 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.70 3gir s ASP 198 Cb -0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3gir s ASP 198 CO 0.36 -2.88 0.00 0.61 -0.17 0.00 0.00 175.17 173.09 3gir n GLY 199 N -0.02 0.28 3.10 2.66 0.00 -1.26 -1.09 105.19 108.85 3gir n GLY 199 Ca 0.11 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3gir n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gir s PHE 200 N -2.00 0.67 -0.04 1.61 0.08 0.36 -2.18 117.98 116.49 3gir s PHE 200 Ca 0.00 -0.77 0.06 0.00 0.12 0.00 0.00 56.93 56.33 3gir s PHE 200 Cb 0.00 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 3gir s PHE 200 CO 0.00 -0.18 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.52 3gir s GLU 201 N -2.87 2.01 -0.13 0.44 2.02 -0.12 -0.54 118.70 119.51 3gir s GLU 201 Ca 0.01 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.26 3gir s GLU 201 Cb -0.01 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.46 3gir s GLU 201 CO -0.04 0.35 -0.14 0.42 0.02 0.00 0.00 175.26 175.87 3gir s ILE 202 N -0.19 1.51 -0.13 -1.63 1.01 0.12 -1.20 121.20 120.69 3gir s ILE 202 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3gir s ILE 202 Cb -0.11 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3gir s ILE 202 CO 0.02 0.45 -0.11 0.00 0.00 0.00 0.00 174.94 175.29 3gir s ALA 203 N 1.31 2.71 0.16 9.38 0.00 -0.14 -1.18 121.76 134.01 3gir s ALA 203 Ca 0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3gir s ALA 203 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.74 3gir s ALA 203 CO -0.07 0.27 0.41 -0.48 0.00 0.00 0.00 175.76 175.89 3gir s LEU 204 N 0.26 0.47 0.57 0.00 2.34 -0.59 -1.09 118.68 120.64 3gir s LEU 204 Ca -0.08 -0.56 -0.20 0.00 0.06 0.00 0.00 54.13 53.35 3gir s LEU 204 Cb -0.15 1.75 -0.05 0.00 -0.56 0.00 0.00 46.19 47.18 3gir s LEU 204 CO 0.05 -0.94 1.15 -2.65 -1.06 0.00 0.00 176.35 172.90 3gir n PRO 205 N -0.26 1.25 -0.32 1.48 -0.02 -1.26 -1.45 135.00 134.43 3gir n PRO 205 Ca -0.11 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 3gir n PRO 205 Cb 0.63 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.99 3gir n PRO 205 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3gir h ILE 206 N 0.93 1.07 0.00 4.25 2.04 -1.90 -2.27 117.51 121.63 3gir h ILE 206 Ca -0.49 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3gir h ILE 206 Cb 1.34 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3gir h ILE 206 CO 0.54 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.49 3gir n GLY 207 N -1.39 -1.24 0.10 5.37 0.00 -1.26 -2.34 105.19 104.43 3gir n GLY 207 Ca 0.14 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3gir n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gir h ALA 209 N 3.19 -0.06 -0.49 0.00 0.00 -1.41 -3.09 119.26 117.40 3gir h ALA 209 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.15 3gir h ALA 209 Cb 0.55 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3gir h ALA 209 CO 0.00 0.60 0.32 -0.09 0.00 0.00 0.00 179.25 180.08 3gir h ARG 210 N 0.09 0.63 -0.72 0.00 2.43 -1.84 -0.97 114.38 114.00 3gir h ARG 210 Ca -0.19 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3gir h ARG 210 Cb 1.89 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 31.26 3gir h ARG 210 CO 0.22 0.42 0.48 0.00 -1.51 0.00 0.00 179.97 179.58 3gir h ALA 211 N 1.19 0.92 -0.12 2.80 0.00 -1.89 -1.15 119.26 121.01 3gir h ALA 211 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gir h ALA 211 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3gir h ALA 211 CO -0.05 0.32 0.06 1.25 0.00 0.00 0.00 179.25 180.84 3gir h LEU 212 N 0.97 0.15 -0.95 0.00 5.85 -1.39 -0.57 115.31 119.36 3gir h LEU 212 Ca 0.27 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3gir h LEU 212 Cb -0.10 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3gir h LEU 212 CO -0.06 0.20 0.63 0.00 -0.34 0.00 0.00 178.44 178.87 3gir h ALA 213 N 0.96 1.22 -0.58 1.25 0.00 -0.93 -0.60 119.26 120.56 3gir h ALA 213 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gir h ALA 213 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gir h ALA 213 CO -0.01 0.58 0.04 0.93 0.00 0.00 0.00 179.25 180.79 3gir h GLU 214 N 1.28 1.00 -0.61 0.00 5.08 -1.07 -0.66 114.58 119.59 3gir h GLU 214 Ca 0.35 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3gir h GLU 214 Cb -0.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 3gir h GLU 214 CO -0.08 0.98 0.39 -0.22 -1.00 0.00 0.00 179.01 179.07 3gir h LYS 215 N 0.90 0.75 -0.36 2.33 3.64 -0.63 -1.61 116.57 121.58 3gir h LYS 215 Ca 0.17 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 3gir h LYS 215 Cb 0.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3gir h LYS 215 CO 0.02 0.50 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.32 3gir h LEU 216 N 0.78 0.91 -1.81 5.20 3.38 -0.87 -3.10 115.31 119.79 3gir h LEU 216 Ca 0.24 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3gir h LEU 216 Cb -0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3gir h LEU 216 CO -0.08 1.17 -0.10 -0.07 0.09 0.00 0.00 178.44 179.45 3gir h LEU 217 N 0.66 0.00 -2.60 1.67 3.38 -1.04 -2.10 115.31 115.27 3gir h LEU 217 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gir h LEU 217 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3gir h LEU 217 CO 0.08 0.10 0.00 1.23 0.09 0.00 0.00 178.44 179.95 3gir h GLY 218 N 0.33 0.00 -4.25 0.83 0.00 -1.21 -3.43 103.07 95.35 3gir h GLY 218 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3gir h GLY 218 CO 0.01 0.00 0.53 -0.35 0.00 0.00 0.00 176.54 176.74 3gir s ASP 219 N -5.16 7.14 0.16 0.19 3.68 -0.79 -4.91 116.67 116.97 3gir s ASP 219 Ca -0.04 2.12 0.19 0.00 2.13 0.00 0.00 52.55 56.95 3gir s ASP 219 Cb 0.12 -2.60 0.83 0.00 -1.45 0.00 0.00 42.92 39.82 3gir s ASP 219 CO 0.42 -0.36 1.60 -1.54 0.13 0.00 0.00 175.17 175.42 3gir n SER 220 N 2.96 0.40 -0.00 -0.34 3.41 -1.26 -1.71 113.62 117.07 3gir n SER 220 Ca 0.05 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3gir n SER 220 Cb 0.46 -0.69 0.47 0.00 -0.26 0.00 0.00 64.21 64.19 3gir n SER 220 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gir n ARG 221 N -1.95 0.03 -4.51 4.33 1.74 -1.26 -4.89 116.66 110.15 3gir n ARG 221 Ca 0.02 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 3gir n ARG 221 Cb 0.19 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 3gir n ARG 221 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gir s VAL 222 N -2.98 3.73 0.10 1.55 1.01 -0.70 -2.26 120.40 120.86 3gir s VAL 222 Ca 0.13 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3gir s VAL 222 Cb 0.18 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3gir s VAL 222 CO 0.60 0.52 -0.12 -1.61 0.00 0.00 0.00 175.10 174.49 3gir s GLU 223 N 0.08 0.91 0.29 2.72 0.41 -1.10 -4.83 118.70 117.17 3gir s GLU 223 Ca -0.01 -1.15 -0.29 0.00 -0.41 0.00 0.00 54.97 53.10 3gir s GLU 223 Cb -0.14 -0.72 -0.10 0.00 -1.78 0.00 0.00 34.13 31.40 3gir s GLU 223 CO 0.03 0.13 1.30 -1.58 -0.49 0.00 0.00 175.26 174.66 3gir s TRP 224 N -2.13 3.14 -0.08 1.61 0.23 -1.26 -0.86 118.94 119.59 3gir s TRP 224 Ca 0.05 1.35 0.05 0.00 -2.03 0.00 0.00 56.10 55.53 3gir s TRP 224 Cb -0.05 -3.64 -0.01 0.00 0.03 0.00 0.00 33.47 29.80 3gir s TRP 224 CO 0.02 -1.83 -0.23 0.08 0.96 0.00 0.00 176.95 175.94 3gir s VAL 225 N -0.73 2.19 0.70 4.03 1.01 0.04 -4.83 120.40 122.81 3gir s VAL 225 Ca 0.51 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3gir s VAL 225 Cb -0.39 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.26 3gir s VAL 225 CO 0.47 0.56 0.99 -0.83 0.00 0.00 0.00 175.10 176.29 3gir s GLY 226 N 0.02 1.75 0.45 4.51 0.00 -1.26 -4.57 107.32 108.21 3gir s GLY 226 Ca -0.09 -1.22 0.12 0.00 0.00 0.00 0.00 44.72 43.54 3gir s GLY 226 CO 0.05 -0.77 2.04 1.41 0.00 0.00 0.00 173.10 175.83 3gir h LEU 227 N -0.53 0.15 -0.25 0.66 3.38 -0.80 -0.30 115.31 117.62 3gir h LEU 227 Ca -0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3gir h LEU 227 Cb 1.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3gir h LEU 227 CO 0.52 0.21 0.13 0.00 0.09 0.00 0.00 178.44 179.39 3gir h ALA 228 N 1.82 0.32 -0.27 1.53 0.00 -1.53 0.28 119.26 121.41 3gir h ALA 228 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3gir h ALA 228 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gir h ALA 228 CO 0.00 -0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.62 3gir h ALA 229 N 1.01 0.62 -0.73 0.00 0.00 -1.70 -2.03 119.26 116.43 3gir h ALA 229 Ca 0.09 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.65 3gir h ALA 229 Cb 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 3gir h ALA 229 CO -0.01 0.68 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 3gir h ARG 230 N 0.58 0.37 -0.46 0.00 2.43 -0.80 -0.40 114.38 116.11 3gir h ARG 230 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3gir h ARG 230 Cb 1.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3gir h ARG 230 CO 0.10 0.25 0.15 0.22 -1.51 0.00 0.00 179.97 179.17 3gir h ASP 231 N 0.38 0.66 -0.30 -3.80 3.58 -0.52 -2.01 116.42 114.41 3gir h ASP 231 Ca 0.40 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 3gir h ASP 231 Cb 0.62 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3gir h ASP 231 CO -0.42 0.69 -0.12 0.77 -2.88 0.00 0.00 179.24 177.28 3gir h SER 232 N 0.60 0.72 0.36 2.28 4.64 -1.09 -1.47 113.55 119.59 3gir h SER 232 Ca 0.15 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3gir h SER 232 Cb 0.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gir h SER 232 CO -0.01 0.86 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.57 3gir h LEU 233 N 0.66 -0.41 -1.11 5.97 3.38 -1.03 -1.33 115.31 121.44 3gir h LEU 233 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3gir h LEU 233 Cb 0.58 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3gir h LEU 233 CO 0.04 -0.18 0.36 0.08 0.09 0.00 0.00 178.44 178.83 3gir h ARG 234 N -0.62 0.98 -0.37 1.13 -0.00 -1.30 -2.14 114.38 112.07 3gir h ARG 234 Ca -0.05 -0.12 -0.10 0.00 -0.00 0.00 0.00 59.98 59.71 3gir h ARG 234 Cb 0.45 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 3gir h ARG 234 CO 0.08 0.74 -0.16 1.25 -0.00 0.00 0.00 179.97 181.88 3gir h LEU 235 N 0.98 0.78 -0.97 0.08 5.85 -1.21 -1.20 115.31 119.63 3gir h LEU 235 Ca 0.25 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.71 3gir h LEU 235 Cb 0.06 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 3gir h LEU 235 CO -0.04 1.00 0.59 -0.33 -0.34 0.00 0.00 178.44 179.32 3gir h GLU 236 N 0.55 0.84 0.00 1.25 5.08 -1.16 -1.94 114.58 119.20 3gir h GLU 236 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gir h GLU 236 Cb 0.70 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3gir h GLU 236 CO 0.05 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 3gir n ALA 237 N -2.35 2.33 -1.35 3.43 0.00 -0.81 -0.88 120.51 120.87 3gir n ALA 237 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 3gir n ALA 237 Cb 0.42 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3gir n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gir n GLY 238 N 0.67 0.82 3.83 0.00 0.00 -0.73 -4.58 105.19 105.20 3gir n GLY 238 Ca 0.15 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 3gir n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gir s LEU 239 N -1.74 4.49 0.45 0.99 1.43 -0.50 -4.95 118.68 118.85 3gir s LEU 239 Ca 0.00 1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 54.01 3gir s LEU 239 Cb 0.00 -2.81 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 3gir s LEU 239 CO 0.00 0.28 1.00 0.00 0.23 0.00 0.00 176.35 177.86 3gir s LEU 241 N -3.25 2.82 0.26 0.00 2.96 -1.26 -5.02 118.68 115.19 3gir s LEU 241 Ca 0.64 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 3gir s LEU 241 Cb -0.14 -1.63 -0.10 0.00 0.50 0.00 0.00 46.19 44.82 3gir s LEU 241 CO 0.18 -0.06 1.33 -2.28 -1.32 0.00 0.00 176.35 174.19 3gir s HIS 242 N 1.35 3.16 0.00 5.38 5.65 -1.26 -1.15 115.29 128.42 3gir s HIS 242 Ca 0.03 1.27 0.00 0.00 0.25 0.00 0.00 55.06 56.60 3gir s HIS 242 Cb -0.15 -3.66 0.00 0.00 -1.18 0.00 0.00 32.58 27.59 3gir s HIS 242 CO -0.06 -1.97 0.00 0.41 -0.65 0.00 0.00 174.74 172.47 3gir n GLY 243 N 1.78 2.18 0.43 1.59 0.00 0.47 -4.84 105.19 106.80 3gir n GLY 243 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gir n GLY 243 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gir n ASN 244 N 0.00 0.00 0.14 1.61 4.13 -0.50 -4.91 115.26 115.73 3gir n ASN 244 Ca 0.00 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.35 3gir n ASN 244 Cb 0.00 -0.08 0.05 0.00 -1.54 0.00 0.00 39.78 38.21 3gir n ASN 244 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3gir h ASP 245 N 0.00 0.00 -4.40 6.41 3.32 -1.37 -3.45 116.42 116.93 3gir h ASP 245 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3gir h ASP 245 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 3gir h ASP 245 CO 0.00 0.12 -0.75 0.27 -1.72 0.00 0.00 179.24 177.15 3gir s ILE 246 N -3.23 0.60 0.28 0.35 -4.36 -1.23 -4.95 121.20 108.65 3gir s ILE 246 Ca 0.02 -0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 59.51 3gir s ILE 246 Cb 0.08 -0.59 0.00 0.00 1.25 0.00 0.00 42.46 43.20 3gir s ILE 246 CO 0.75 -0.15 0.53 0.42 0.24 0.00 0.00 174.94 176.73 3gir s THR 247 N -0.86 0.00 -1.22 8.37 -4.23 -1.26 -0.39 115.64 116.05 3gir s THR 247 Ca -0.04 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3gir s THR 247 Cb -0.07 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.51 3gir s THR 247 CO 0.00 0.00 1.08 -2.65 -0.54 0.00 0.00 174.62 172.52 3gir n PRO 248 N -0.43 0.04 0.00 3.99 -0.02 -0.93 -1.37 135.00 136.28 3gir n PRO 248 Ca -0.02 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 3gir n PRO 248 Cb 0.61 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.97 3gir n PRO 248 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gir n ASP 249 N -1.39 1.44 -4.24 2.55 8.00 -1.26 -4.05 116.55 117.59 3gir n ASP 249 Ca 0.02 -1.26 -0.34 0.00 0.71 0.00 0.00 54.79 53.93 3gir n ASP 249 Cb 0.05 0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.10 3gir n ASP 249 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gir s THR 250 N -2.27 2.70 0.80 -3.53 -4.23 -0.47 -4.99 115.64 103.64 3gir s THR 250 Ca 0.29 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 3gir s THR 250 Cb 0.20 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.94 3gir s THR 250 CO 0.44 0.50 1.12 0.42 -0.54 0.00 0.00 174.62 176.55 3gir s THR 251 N 1.12 2.80 0.41 3.99 -4.23 -1.26 -2.05 115.64 116.42 3gir s THR 251 Ca 0.00 0.26 0.35 0.00 -1.18 0.00 0.00 61.69 61.12 3gir s THR 251 Cb -0.14 -3.11 0.38 0.00 1.34 0.00 0.00 72.50 70.97 3gir s THR 251 CO -0.04 -0.34 2.15 -0.65 -0.54 0.00 0.00 174.62 175.20 3gir h PRO 252 N -1.06 0.00 0.05 3.99 0.11 -1.94 -1.58 132.00 131.58 3gir h PRO 252 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gir h PRO 252 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gir h PRO 252 CO 0.62 0.04 -0.03 0.82 -0.21 0.00 0.00 178.00 179.25 3gir h ILE 253 N 0.00 1.21 -0.96 4.15 5.03 -1.92 0.07 117.51 125.10 3gir h ILE 253 Ca -0.00 -0.95 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 3gir h ILE 253 Cb 0.27 1.83 -0.05 0.00 -3.03 0.00 0.00 36.82 35.85 3gir h ILE 253 CO 0.01 0.24 0.61 0.44 -0.68 0.00 0.00 178.15 178.76 3gir h ASP 254 N -0.50 1.13 0.12 1.72 3.32 -1.66 -2.66 116.42 117.88 3gir h ASP 254 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gir h ASP 254 Cb 0.44 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gir h ASP 254 CO 0.01 0.84 0.00 0.00 -1.72 0.00 0.00 179.24 178.37 3gir n ALA 255 N -2.38 2.64 -3.81 3.45 0.00 -0.63 -1.35 120.51 118.43 3gir n ALA 255 Ca 0.11 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 3gir n ALA 255 Cb 0.04 -1.51 0.01 0.00 0.00 0.00 0.00 19.45 17.98 3gir n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gir n ALA 256 N -1.06 -2.12 -0.67 0.00 0.00 -0.50 -4.70 120.51 111.47 3gir n ALA 256 Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3gir n ALA 256 Cb 0.14 -2.16 0.04 0.00 0.00 0.00 0.00 19.45 17.47 3gir n ALA 256 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gir n LEU 257 N -4.30 1.54 0.27 0.00 4.77 -0.11 -4.77 117.00 114.40 3gir n LEU 257 Ca -0.27 -1.84 0.18 0.00 -0.03 0.00 0.00 56.01 54.06 3gir n LEU 257 Cb 0.67 -0.11 0.85 0.00 -2.33 0.00 0.00 43.42 42.50 3gir n LEU 257 CO 0.71 0.44 1.03 0.71 -1.33 0.00 0.00 177.39 178.96 3gir h THR 258 N 1.25 0.00 -0.33 -5.08 1.35 -1.90 -2.27 112.91 105.93 3gir h THR 258 Ca 0.00 -0.23 0.10 0.00 -0.55 0.00 0.00 66.41 65.73 3gir h THR 258 Cb 0.81 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3gir h THR 258 CO 0.00 0.00 0.38 4.11 -0.25 0.00 0.00 175.52 179.76 3gir h TRP 259 N 0.00 0.00 0.00 4.73 5.08 -1.92 -1.71 115.95 122.12 3gir h TRP 259 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3gir h TRP 259 Cb 0.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 3gir h TRP 259 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3gir n ALA 260 N -2.31 1.69 -3.87 0.11 0.00 -0.85 -4.42 120.51 110.86 3gir n ALA 260 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 3gir n ALA 260 Cb 0.54 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 3gir n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gir s VAL 261 N -3.13 2.79 0.84 0.00 1.01 -0.65 -4.88 120.40 116.38 3gir s VAL 261 Ca 0.06 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 59.92 3gir s VAL 261 Cb 0.10 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.69 3gir s VAL 261 CO 0.33 -0.51 1.12 -2.84 0.00 0.00 0.00 175.10 173.20 3gir s PRO 262 N 1.07 1.62 0.26 2.72 0.02 -1.26 -4.78 135.00 134.64 3gir s PRO 262 Ca 0.06 1.38 -0.02 0.00 0.02 0.00 0.00 61.00 62.44 3gir s PRO 262 Cb -0.21 -1.81 0.50 0.00 0.02 0.00 0.00 34.50 33.01 3gir s PRO 262 CO -0.05 -2.16 1.77 1.57 -0.33 0.00 0.00 177.00 177.80 3gir h LYS 263 N -1.48 0.63 -0.32 5.54 -0.00 -1.96 -2.10 116.57 116.88 3gir h LYS 263 Ca -0.43 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.65 60.14 3gir h LYS 263 Cb 1.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 32.23 33.32 3gir h LYS 263 CO 0.46 0.42 0.02 -2.95 -0.00 0.00 0.00 179.45 177.40 3gir h ASN 264 N 0.65 0.44 -0.04 7.07 -1.07 -1.99 0.18 115.58 120.83 3gir h ASN 264 Ca 0.45 -0.07 -0.20 0.00 0.07 0.00 0.00 56.30 56.54 3gir h ASN 264 Cb 0.59 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.73 3gir h ASN 264 CO -0.34 0.50 -0.72 0.58 0.07 0.00 0.00 177.43 177.52 3gir h VAL 265 N 0.47 1.31 -0.74 6.14 2.07 -1.77 -0.62 116.25 123.10 3gir h VAL 265 Ca 0.10 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 3gir h VAL 265 Cb 0.27 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3gir h VAL 265 CO 0.01 0.62 0.31 0.03 0.02 0.00 0.00 177.57 178.55 3gir h ARG 266 N 0.48 1.10 -0.25 1.57 3.08 -0.73 -0.84 114.38 118.78 3gir h ARG 266 Ca -0.03 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.65 3gir h ARG 266 Cb 1.32 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 3gir h ARG 266 CO 0.14 0.89 -0.55 0.93 -1.07 0.00 0.00 179.97 180.31 3gir h GLU 267 N 1.06 0.77 -0.33 0.04 5.08 -0.81 -2.95 114.58 117.43 3gir h GLU 267 Ca 0.25 -0.49 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 3gir h GLU 267 Cb 0.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gir h GLU 267 CO -0.02 1.11 -0.36 0.87 -1.00 0.00 0.00 179.01 179.61 3gir h LYS 268 N 0.59 0.78 -6.08 2.33 1.57 -1.08 -3.47 116.57 111.20 3gir h LYS 268 Ca 0.01 -0.39 -0.43 0.00 -1.87 0.00 0.00 60.65 57.97 3gir h LYS 268 Cb 1.14 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.50 3gir h LYS 268 CO 0.12 1.01 -0.75 0.00 -0.57 0.00 0.00 179.45 179.26 3gir n ALA 269 N -2.52 -1.48 1.01 3.86 0.00 -0.33 -4.88 120.51 116.17 3gir n ALA 269 Ca -0.02 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.70 3gir n ALA 269 Cb 0.52 -4.16 -0.01 0.00 0.00 0.00 0.00 19.45 15.79 3gir n ALA 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gir n GLN 270 N -4.66 0.92 -2.70 0.00 10.64 -1.26 -4.85 117.38 115.46 3gir n GLN 270 Ca -0.06 -0.75 -0.31 0.00 -1.83 0.00 0.00 57.00 54.05 3gir n GLN 270 Cb 0.57 -1.48 -0.04 0.00 -0.86 0.00 0.00 30.24 28.43 3gir n GLN 270 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 3gir s PHE 271 N -2.60 3.45 0.12 2.61 -0.12 -1.24 -4.45 117.98 115.75 3gir s PHE 271 Ca 0.16 1.24 -0.31 0.00 -0.05 0.00 0.00 56.93 57.97 3gir s PHE 271 Cb 0.18 -2.60 -0.10 0.00 -0.63 0.00 0.00 43.02 39.86 3gir s PHE 271 CO 0.64 -0.19 1.85 -0.47 -0.05 0.00 0.00 175.22 177.00 3gir s TYR 272 N -2.43 2.07 0.00 3.49 5.04 0.10 -1.57 117.35 124.06 3gir s TYR 272 Ca 0.55 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 3gir s TYR 272 Cb -0.10 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.01 3gir s TYR 272 CO 0.29 -4.98 0.00 0.41 -1.34 0.00 0.00 175.55 169.94 3gir n GLY 273 N 4.27 0.72 0.27 8.97 0.00 -1.26 -4.60 105.19 113.56 3gir n GLY 273 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3gir n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gir h ALA 274 N 0.00 0.91 0.12 4.61 0.00 -1.62 -0.69 119.26 122.59 3gir h ALA 274 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gir h ALA 274 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gir h ALA 274 CO 0.00 0.13 -0.06 -0.22 0.00 0.00 0.00 179.25 179.10 3gir h LYS 275 N 0.77 -0.16 -0.65 0.00 3.64 -1.90 -0.27 116.57 118.01 3gir h LYS 275 Ca 0.29 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3gir h LYS 275 Cb 0.11 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3gir h LYS 275 CO -0.15 -0.05 0.25 0.00 -2.27 0.00 0.00 179.45 177.24 3gir h ALA 276 N 0.65 1.23 -0.03 5.00 0.00 -1.74 -1.19 119.26 123.19 3gir h ALA 276 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gir h ALA 276 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gir h ALA 276 CO 0.03 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.21 3gir h PHE 277 N 0.93 0.03 -0.54 0.00 3.57 -0.77 -0.06 116.94 120.10 3gir h PHE 277 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3gir h PHE 277 Cb 0.19 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3gir h PHE 277 CO 0.01 0.03 0.30 -0.07 -2.23 0.00 0.00 178.31 176.35 3gir h LEU 278 N 0.03 0.68 -0.76 0.59 3.38 -0.90 -1.90 115.31 116.42 3gir h LEU 278 Ca 0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3gir h LEU 278 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3gir h LEU 278 CO -0.00 0.57 0.21 -0.33 0.09 0.00 0.00 178.44 178.98 3gir h GLU 279 N 0.73 1.14 -0.36 1.13 5.08 -1.11 -2.46 114.58 118.73 3gir h GLU 279 Ca 0.19 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3gir h GLU 279 Cb 0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3gir h GLU 279 CO -0.03 0.98 -0.07 1.03 -1.00 0.00 0.00 179.01 179.92 3gir h SER 280 N 1.09 0.57 -0.69 1.42 0.87 -0.82 -0.49 113.55 115.50 3gir h SER 280 Ca 0.23 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3gir h SER 280 Cb 0.33 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3gir h SER 280 CO -0.00 0.69 0.17 0.25 -0.53 0.00 0.00 176.83 177.41 3gir h LEU 281 N 0.55 1.05 -0.01 2.23 5.85 -1.08 -0.02 115.31 123.89 3gir h LEU 281 Ca 0.11 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3gir h LEU 281 Cb 0.46 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3gir h LEU 281 CO 0.02 1.01 -0.01 1.56 -0.34 0.00 0.00 178.44 180.69 3gir h GLN 282 N 1.04 0.02 0.00 1.25 1.08 -1.24 -3.28 115.11 113.98 3gir h GLN 282 Ca 0.22 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3gir h GLN 282 Cb 0.37 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3gir h GLN 282 CO 0.00 0.49 -0.14 0.87 -0.95 0.00 0.00 178.83 179.10 3gir h LYS 283 N -0.45 0.00 0.00 1.46 1.79 -1.05 -3.50 116.57 114.81 3gir h LYS 283 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gir h LYS 283 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3gir h LYS 283 CO 0.00 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.92 3gir n GLY 284 N -0.57 -1.55 3.77 3.86 0.00 -0.02 -4.99 105.19 105.68 3gir n GLY 284 Ca -0.02 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 3gir n GLY 284 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gir s PRO 285 N -2.20 3.80 0.26 1.61 0.04 -1.26 -4.86 135.00 132.38 3gir s PRO 285 Ca 0.00 1.83 0.23 0.00 0.04 0.00 0.00 61.00 63.11 3gir s PRO 285 Cb 0.00 -2.47 0.29 0.00 0.04 0.00 0.00 34.50 32.36 3gir s PRO 285 CO 0.00 -0.54 1.38 0.66 0.04 0.00 0.00 177.00 178.54 3gir h SER 286 N 2.17 0.00 -5.01 6.66 4.64 -1.94 -3.46 113.55 116.62 3gir h SER 286 Ca -0.49 -0.05 0.11 0.00 -0.47 0.00 0.00 61.79 60.89 3gir h SER 286 Cb 1.25 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.23 3gir h SER 286 CO 0.61 0.02 0.41 0.00 -0.87 0.00 0.00 176.83 177.00 3gir s ARG 287 N -3.24 1.17 -0.06 4.77 1.70 -1.26 -4.80 118.95 117.23 3gir s ARG 287 Ca 0.05 -0.56 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 3gir s ARG 287 Cb 0.09 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 3gir s ARG 287 CO 0.71 -0.53 -0.09 0.00 -1.08 0.00 0.00 175.30 174.32 3gir s ARG 289 N 0.88 4.32 0.09 0.00 3.52 -0.46 -2.10 118.95 125.20 3gir s ARG 289 Ca -0.11 1.60 0.04 0.00 -0.13 0.00 0.00 55.73 57.14 3gir s ARG 289 Cb -0.15 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 3gir s ARG 289 CO 0.01 -0.52 -0.11 0.14 -0.81 0.00 0.00 175.30 174.00 3gir s VAL 290 N 2.66 0.99 0.50 7.11 -7.23 0.59 -4.81 120.40 120.21 3gir s VAL 290 Ca 0.53 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.99 3gir s VAL 290 Cb -0.22 -1.23 -0.07 0.00 0.56 0.00 0.00 36.38 35.42 3gir s VAL 290 CO 0.18 -0.44 1.11 -0.83 -0.31 0.00 0.00 175.10 174.81 3gir s GLY 291 N -2.18 2.66 -0.02 2.32 0.00 -1.19 -0.66 107.32 108.24 3gir s GLY 291 Ca 0.02 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.56 3gir s GLY 291 CO 0.01 1.18 -0.03 1.08 0.00 0.00 0.00 173.10 175.34 3gir s LEU 292 N -3.44 1.55 -0.35 0.66 1.43 -0.20 -0.69 118.68 117.64 3gir s LEU 292 Ca 0.68 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3gir s LEU 292 Cb -0.23 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 45.76 3gir s LEU 292 CO 0.28 -0.02 0.09 -0.75 0.23 0.00 0.00 176.35 176.17 3gir s LYS 293 N 0.53 2.17 0.33 1.70 2.20 0.30 -1.94 119.74 125.04 3gir s LYS 293 Ca -0.06 -1.55 -0.29 0.00 -0.36 0.00 0.00 55.97 53.71 3gir s LYS 293 Cb -0.09 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 3gir s LYS 293 CO -0.00 -0.83 1.53 -2.14 -0.36 0.00 0.00 175.35 173.54 3gir s PRO 294 N 1.18 4.13 -1.18 4.03 0.02 -1.26 -1.48 135.00 140.43 3gir s PRO 294 Ca 0.02 2.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3gir s PRO 294 Cb -0.21 -3.00 0.23 0.00 0.02 0.00 0.00 34.50 31.54 3gir s PRO 294 CO -0.03 -0.56 1.79 1.04 -0.33 0.00 0.00 177.00 178.90 3gir n GLN 295 N 1.35 4.28 -3.55 5.54 6.02 -0.38 -4.85 117.38 125.79 3gir n GLN 295 Ca 0.05 -4.04 -0.07 0.00 -0.01 0.00 0.00 57.00 52.93 3gir n GLN 295 Cb 0.38 -2.68 -0.02 0.00 1.02 0.00 0.00 30.24 28.94 3gir n GLN 295 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gir s THR 296 N -1.55 0.00 -0.47 5.09 -1.32 -1.26 -4.71 115.64 111.42 3gir s THR 296 Ca 0.38 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.09 3gir s THR 296 Cb 0.10 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.16 3gir s THR 296 CO 0.02 0.00 1.26 0.03 -2.21 0.00 0.00 174.62 173.72 3gir h ARG 297 N 2.00 0.00 -5.76 7.08 3.08 -2.01 -3.42 114.38 115.35 3gir h ARG 297 Ca -0.16 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.31 3gir h ARG 297 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 3gir h ARG 297 CO 0.27 0.00 -0.01 -0.65 -1.07 0.00 0.00 179.97 178.51 3gir s GLN 298 N -3.24 4.31 0.65 0.04 -1.52 -1.26 -4.55 119.66 114.10 3gir s GLN 298 Ca 0.04 0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 53.86 3gir s GLN 298 Cb 0.11 -3.49 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 3gir s GLN 298 CO 0.74 0.00 1.15 -2.30 -0.25 0.00 0.00 175.29 174.63 3gir n PRO 299 N 4.17 0.93 -4.15 2.91 -0.02 -1.26 -4.92 135.00 132.65 3gir n PRO 299 Ca -0.04 0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 3gir n PRO 299 Cb 0.51 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 3gir n PRO 299 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gir s ILE 300 N -1.50 4.46 0.33 4.25 1.01 -1.26 -5.01 121.20 123.47 3gir s ILE 300 Ca 0.80 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.33 3gir s ILE 300 Cb -0.38 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3gir s ILE 300 CO 0.44 0.47 0.49 -0.13 0.00 0.00 0.00 174.94 176.21 3gir s ARG 301 N 0.35 3.27 0.19 2.79 1.81 -1.26 -4.11 118.95 121.98 3gir s ARG 301 Ca 0.00 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 52.98 3gir s ARG 301 Cb -0.13 -2.76 -0.16 0.00 -0.45 0.00 0.00 34.95 31.45 3gir s ARG 301 CO 0.01 0.12 1.03 0.00 -0.68 0.00 0.00 175.30 175.78 3gir n ALA 302 N -1.68 -1.16 0.00 2.13 0.00 -1.26 -2.03 120.51 116.51 3gir n ALA 302 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3gir n ALA 302 Cb 0.57 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3gir n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gir n GLY 303 N 1.80 1.76 3.67 0.00 0.00 0.67 -4.99 105.19 108.10 3gir n GLY 303 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 3gir n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gir n ALA 304 N -1.50 1.38 -1.95 4.61 0.00 -0.86 -4.74 120.51 117.45 3gir n ALA 304 Ca 0.00 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 3gir n ALA 304 Cb 0.00 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 3gir n ALA 304 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gir s VAL 305 N 1.35 4.28 -0.13 0.00 1.01 -1.26 -0.64 120.40 125.01 3gir s VAL 305 Ca 0.80 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 64.66 3gir s VAL 305 Cb -0.67 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 3gir s VAL 305 CO 0.39 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 175.22 3gir s LEU 306 N -0.93 3.58 0.24 3.92 1.43 -0.33 -4.34 118.68 122.25 3gir s LEU 306 Ca 0.40 0.07 0.12 0.00 -1.03 0.00 0.00 54.13 53.68 3gir s LEU 306 Cb -0.24 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3gir s LEU 306 CO 0.29 0.27 -0.22 -0.36 0.23 0.00 0.00 176.35 176.57 3gir s PHE 307 N -0.25 2.30 0.74 0.29 0.08 0.10 -0.53 117.98 120.71 3gir s PHE 307 Ca 0.06 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 3gir s PHE 307 Cb -0.12 -1.07 0.17 0.00 -0.57 0.00 0.00 43.02 41.43 3gir s PHE 307 CO 0.02 0.61 1.00 -0.40 -0.10 0.00 0.00 175.22 176.35 3gir n ASP 308 N -0.19 0.23 0.00 1.36 5.68 0.08 -1.38 116.55 122.34 3gir n ASP 308 Ca -0.09 -1.46 0.09 0.00 -0.50 0.00 0.00 54.79 52.83 3gir n ASP 308 Cb 0.58 -0.75 0.49 0.00 -1.14 0.00 0.00 41.12 40.29 3gir n ASP 308 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3gir n ASN 309 N -3.56 0.00 -0.38 -1.12 6.94 -1.26 -1.99 115.26 113.90 3gir n ASN 309 Ca 0.13 -0.26 0.04 0.00 -0.02 0.00 0.00 54.58 54.47 3gir n ASN 309 Cb 0.45 -0.14 0.08 0.00 -2.36 0.00 0.00 39.78 37.81 3gir n ASN 309 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gir n GLU 310 N -1.14 2.11 -0.56 -3.83 1.02 -1.26 -4.98 120.64 111.99 3gir n GLU 310 Ca 0.11 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 3gir n GLU 310 Cb 0.10 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3gir n GLU 310 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gir n GLY 311 N 0.23 0.74 3.73 0.62 0.00 -0.84 -5.04 105.19 104.62 3gir n GLY 311 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3gir n GLY 311 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gir s ASN 312 N -2.30 7.42 0.18 1.61 0.02 -1.26 -4.80 114.94 115.82 3gir s ASN 312 Ca 0.00 1.87 -0.31 0.00 -1.02 0.00 0.00 52.86 53.39 3gir s ASN 312 Cb 0.00 -2.59 -0.10 0.00 0.02 0.00 0.00 41.25 38.58 3gir s ASN 312 CO 0.00 -0.13 1.53 -0.60 0.02 0.00 0.00 177.10 177.92 3gir s ARG 313 N 0.00 4.23 0.00 -0.60 3.52 -1.26 -0.74 118.95 124.11 3gir s ARG 313 Ca 0.48 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.41 3gir s ARG 313 Cb -0.25 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3gir s ARG 313 CO 0.31 -0.56 0.00 0.44 -0.81 0.00 0.00 175.30 174.68 3gir n ILE 314 N 3.58 0.00 -2.17 4.11 -5.35 0.31 -4.87 119.36 114.97 3gir n ILE 314 Ca 0.12 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3gir n ILE 314 Cb 0.39 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 3gir n ILE 314 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gir n GLY 315 N 0.77 -0.62 3.54 3.28 0.00 -0.92 -3.97 105.19 107.26 3gir n GLY 315 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 3gir n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gir s VAL 316 N -3.30 0.00 -0.08 1.61 0.11 -0.97 -1.19 120.40 116.58 3gir s VAL 316 Ca 0.00 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 3gir s VAL 316 Cb 0.00 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3gir s VAL 316 CO 0.00 -0.01 1.06 -0.69 -3.33 0.00 0.00 175.10 172.13 3gir s VAL 317 N -0.47 4.62 -0.13 2.04 1.01 0.19 -1.25 120.40 126.41 3gir s VAL 317 Ca -0.06 1.91 0.16 0.00 0.00 0.00 0.00 61.98 63.99 3gir s VAL 317 Cb -0.02 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 3gir s VAL 317 CO 0.05 0.01 0.34 0.35 0.00 0.00 0.00 175.10 175.86 3gir n THR 318 N 4.54 1.43 -3.81 3.92 -2.24 -0.10 -0.24 114.28 117.78 3gir n THR 318 Ca 0.09 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 3gir n THR 318 Cb 0.48 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 3gir n THR 318 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gir s SER 319 N -5.70 -0.16 -0.20 3.42 0.01 -0.96 -4.54 113.70 105.56 3gir s SER 319 Ca -0.08 0.21 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 3gir s SER 319 Cb 0.07 0.38 0.11 0.00 0.21 0.00 0.00 66.02 66.78 3gir s SER 319 CO 0.83 -0.24 0.91 -0.83 0.41 0.00 0.00 173.24 174.33 3gir s GLY 320 N -0.59 -0.32 0.03 3.44 0.00 -1.26 -1.05 107.32 107.57 3gir s GLY 320 Ca -0.07 2.15 -0.22 0.00 0.00 0.00 0.00 44.72 46.58 3gir s GLY 320 CO 0.01 1.43 1.00 0.61 0.00 0.00 0.00 173.10 176.16 3gir n GLY 321 N 1.61 0.40 3.69 0.20 0.00 -0.45 -4.49 105.19 106.15 3gir n GLY 321 Ca -0.13 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3gir n GLY 321 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gir s PHE 322 N -2.35 3.52 -0.42 1.61 5.36 -1.26 -1.03 117.98 123.40 3gir s PHE 322 Ca 0.23 1.39 -0.15 0.00 -0.96 0.00 0.00 56.93 57.44 3gir s PHE 322 Cb -0.01 -3.00 0.03 0.00 -0.34 0.00 0.00 43.02 39.70 3gir s PHE 322 CO 0.01 -0.10 0.32 0.20 -1.46 0.00 0.00 175.22 174.19 3gir s GLY 323 N 1.02 2.02 0.48 13.12 0.00 -0.24 -4.86 107.32 118.85 3gir s GLY 323 Ca 0.42 -1.82 0.23 0.00 0.00 0.00 0.00 44.72 43.55 3gir s GLY 323 CO 0.18 0.95 1.99 -2.55 0.00 0.00 0.00 173.10 173.67 3gir h PRO 324 N 8.65 0.00 0.08 2.90 0.11 -1.92 0.17 132.00 141.99 3gir h PRO 324 Ca -0.27 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 3gir h PRO 324 Cb 1.12 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3gir h PRO 324 CO 0.76 0.18 -0.78 0.77 -0.21 0.00 0.00 178.00 178.72 3gir h SER 325 N 0.00 0.54 0.65 -2.05 0.02 -1.94 -3.15 113.55 107.62 3gir h SER 325 Ca -0.00 -0.86 -0.02 0.00 -0.84 0.00 0.00 61.79 60.07 3gir h SER 325 Cb 0.44 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3gir h SER 325 CO 0.02 1.35 -0.10 0.15 -1.14 0.00 0.00 176.83 177.11 3gir h PHE 326 N -0.19 0.00 -5.78 3.45 3.57 -1.85 -3.47 116.94 112.68 3gir h PHE 326 Ca -0.12 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.02 3gir h PHE 326 Cb 1.54 0.00 0.14 0.00 2.79 0.00 0.00 35.95 40.42 3gir h PHE 326 CO 0.17 0.10 -0.76 -3.47 -2.23 0.00 0.00 178.31 172.12 3gir n ASP 327 N -3.36 -2.82 0.00 0.41 2.03 0.57 -5.00 116.55 108.38 3gir n ASP 327 Ca -0.01 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.66 3gir n ASP 327 Cb 0.29 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 35.79 3gir n ASP 327 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gir n GLY 328 N -1.38 -0.19 3.73 0.27 0.00 -1.05 -5.02 105.19 101.56 3gir n GLY 328 Ca -0.22 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3gir n GLY 328 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gir n PRO 329 N -0.23 2.41 -4.31 1.61 -0.02 -1.26 -1.08 135.00 132.13 3gir n PRO 329 Ca 0.00 0.85 -0.20 0.00 -2.02 0.00 0.00 63.50 62.12 3gir n PRO 329 Cb 0.00 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 30.84 3gir n PRO 329 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gir s VAL 330 N -0.97 1.25 0.25 -1.45 -7.23 -0.20 -4.42 120.40 107.63 3gir s VAL 330 Ca 0.56 -1.20 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 3gir s VAL 330 Cb -0.53 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.28 3gir s VAL 330 CO 0.61 -0.07 0.60 0.00 -0.31 0.00 0.00 175.10 175.94 3gir s ALA 331 N -1.04 -0.89 0.04 1.32 0.00 -0.82 -1.35 121.76 119.04 3gir s ALA 331 Ca 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3gir s ALA 331 Cb -0.09 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3gir s ALA 331 CO 0.02 -0.92 -0.05 1.41 0.00 0.00 0.00 175.76 176.21 3gir s MET 332 N -3.93 0.51 0.00 0.00 1.75 -0.21 -1.03 119.30 116.38 3gir s MET 332 Ca 0.14 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.72 3gir s MET 332 Cb -0.03 -0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.57 3gir s MET 332 CO 0.05 -0.02 0.00 0.41 -0.65 0.00 0.00 175.02 174.81 3gir n GLY 333 N 1.09 0.89 3.34 2.11 0.00 0.16 -0.93 105.19 111.85 3gir n GLY 333 Ca -0.20 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3gir n GLY 333 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gir s TYR 334 N -4.03 2.60 0.11 1.61 2.02 -0.38 -0.30 117.35 118.99 3gir s TYR 334 Ca 0.00 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3gir s TYR 334 Cb 0.00 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3gir s TYR 334 CO 0.00 -0.14 -0.06 0.14 -1.57 0.00 0.00 175.55 173.92 3gir s VAL 335 N -0.12 0.73 0.79 0.71 -7.23 -0.89 -2.29 120.40 112.09 3gir s VAL 335 Ca -0.03 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 3gir s VAL 335 Cb -0.14 -1.75 0.07 0.00 0.56 0.00 0.00 36.38 35.12 3gir s VAL 335 CO 0.04 -0.81 1.09 -2.84 -0.31 0.00 0.00 175.10 172.26 3gir s PRO 336 N -3.84 2.14 0.38 4.82 0.02 -1.25 -0.38 135.00 136.88 3gir s PRO 336 Ca 0.14 1.08 0.11 0.00 0.02 0.00 0.00 61.00 62.35 3gir s PRO 336 Cb 0.05 -1.89 0.89 0.00 0.02 0.00 0.00 34.50 33.57 3gir s PRO 336 CO -0.03 -1.70 1.89 -0.24 -0.33 0.00 0.00 177.00 176.58 3gir h VAL 337 N -1.17 0.83 0.00 3.83 3.04 -1.88 -0.84 116.25 120.06 3gir h VAL 337 Ca -0.45 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3gir h VAL 337 Cb 1.24 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3gir h VAL 337 CO 0.52 0.11 0.05 0.00 -1.01 0.00 0.00 177.57 177.24 3gir h ALA 338 N 1.61 1.05 -0.31 3.17 0.00 -2.00 -2.05 119.26 120.73 3gir h ALA 338 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gir h ALA 338 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gir h ALA 338 CO -0.18 -0.05 0.00 0.91 0.00 0.00 0.00 179.25 179.93 3gir n TRP 339 N -3.01 0.40 1.44 0.00 8.01 -0.33 -4.66 117.44 119.30 3gir n TRP 339 Ca -0.03 -0.29 0.15 0.00 -1.31 0.00 0.00 57.50 56.02 3gir n TRP 339 Cb 0.11 -0.01 0.73 0.00 -2.01 0.00 0.00 31.31 30.13 3gir n TRP 339 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 3gir n LYS 340 N 0.98 0.51 -1.98 -0.99 2.85 -0.77 -4.72 118.16 114.04 3gir n LYS 340 Ca 0.14 -0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 3gir n LYS 340 Cb 0.47 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 3gir n LYS 340 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3gir s VAL 341 N -2.53 2.64 0.20 0.58 1.01 -1.26 -4.90 120.40 116.14 3gir s VAL 341 Ca 0.29 0.51 -0.33 0.00 0.00 0.00 0.00 61.98 62.45 3gir s VAL 341 Cb 0.20 -3.32 -0.14 0.00 0.00 0.00 0.00 36.38 33.12 3gir s VAL 341 CO 0.46 0.07 1.51 -0.62 0.00 0.00 0.00 175.10 176.52 3gir n GLU 342 N 2.89 2.11 0.00 2.72 1.02 -1.26 -1.31 120.64 126.81 3gir n GLU 342 Ca 0.09 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3gir n GLU 342 Cb 0.40 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3gir n GLU 342 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gir n GLY 343 N 2.84 1.12 3.71 0.62 0.00 0.22 -4.97 105.19 108.72 3gir n GLY 343 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3gir n GLY 343 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gir n THR 344 N -2.00 0.11 -2.52 2.61 -1.04 -0.42 -4.51 114.28 106.49 3gir n THR 344 Ca 0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 3gir n THR 344 Cb 0.00 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.48 3gir n THR 344 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gir s GLU 345 N 1.61 4.49 0.29 -2.82 2.02 -1.26 -0.85 118.70 122.18 3gir s GLU 345 Ca 0.77 1.65 0.03 0.00 0.02 0.00 0.00 54.97 57.44 3gir s GLU 345 Cb -0.51 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.29 3gir s GLU 345 CO 0.34 -0.15 0.06 0.14 0.02 0.00 0.00 175.26 175.67 3gir s VAL 346 N 0.89 0.93 0.05 2.63 -7.23 -0.42 -4.79 120.40 112.46 3gir s VAL 346 Ca 0.55 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3gir s VAL 346 Cb -0.27 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 3gir s VAL 346 CO 0.29 -0.05 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.61 3gir s PHE 347 N -3.48 0.59 0.33 2.82 0.08 -0.48 -0.65 117.98 117.19 3gir s PHE 347 Ca 0.36 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.77 3gir s PHE 347 Cb 0.08 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 3gir s PHE 347 CO 0.14 -0.17 0.14 -0.08 -0.10 0.00 0.00 175.22 175.15 3gir s THR 348 N -2.22 0.51 -0.09 0.64 -1.32 -0.14 0.01 115.64 113.04 3gir s THR 348 Ca -0.05 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.45 3gir s THR 348 Cb -0.04 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.41 3gir s THR 348 CO -0.03 0.00 -0.14 -1.61 -2.21 0.00 0.00 174.62 170.64 3gir s GLU 349 N -3.81 2.92 -0.05 7.08 0.41 -1.26 -0.52 118.70 123.47 3gir s GLU 349 Ca 0.33 -0.69 -0.01 0.00 -0.41 0.00 0.00 54.97 54.18 3gir s GLU 349 Cb 0.05 -2.49 0.03 0.00 -1.78 0.00 0.00 34.13 29.93 3gir s GLU 349 CO 0.16 0.43 0.03 -1.17 -0.49 0.00 0.00 175.26 174.22 3gir s LEU 350 N -0.22 0.51 -1.59 1.80 2.96 0.30 -4.83 118.68 117.61 3gir s LEU 350 Ca 0.01 0.00 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 3gir s LEU 350 Cb -0.13 -0.26 0.11 0.00 0.50 0.00 0.00 46.19 46.41 3gir s LEU 350 CO 0.03 -0.20 0.90 0.54 -1.32 0.00 0.00 176.35 176.30 3gir n ARG 351 N 5.00 -4.62 -1.06 1.98 1.74 -1.26 -0.52 116.66 117.93 3gir n ARG 351 Ca -0.09 0.51 -0.02 0.00 -0.77 0.00 0.00 57.85 57.48 3gir n ARG 351 Cb 0.50 -5.33 -0.01 0.00 -1.02 0.00 0.00 32.46 26.61 3gir n ARG 351 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gir n GLY 352 N -1.59 0.46 3.56 -0.13 0.00 -1.26 -5.01 105.19 101.22 3gir n GLY 352 Ca 0.04 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3gir n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gir s LYS 353 N -1.25 2.40 -0.02 1.61 1.02 0.33 -5.11 119.74 118.71 3gir s LYS 353 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 3gir s LYS 353 Cb 0.00 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3gir s LYS 353 CO 0.00 0.58 0.94 0.21 -0.92 0.00 0.00 175.35 176.16 3gir s LYS 354 N -1.49 4.53 -0.07 1.68 2.20 -1.26 -0.54 119.74 124.79 3gir s LYS 354 Ca 0.17 1.34 0.05 0.00 -0.36 0.00 0.00 55.97 57.17 3gir s LYS 354 Cb -0.11 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3gir s LYS 354 CO 0.07 -0.06 -0.24 0.42 -0.36 0.00 0.00 175.35 175.18 3gir s ILE 355 N 1.10 2.14 0.07 5.43 -1.09 0.33 -4.94 121.20 124.24 3gir s ILE 355 Ca 0.50 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 3gir s ILE 355 Cb -0.20 -1.79 -0.06 0.00 -1.58 0.00 0.00 42.46 38.83 3gir s ILE 355 CO 0.26 0.57 0.43 0.00 -1.23 0.00 0.00 174.94 174.96 3gir s ALA 356 N -0.04 3.69 0.14 9.38 0.00 -1.26 -0.96 121.76 132.71 3gir s ALA 356 Ca -0.07 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 51.67 3gir s ALA 356 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 3gir s ALA 356 CO 0.05 0.53 -0.20 -0.51 0.00 0.00 0.00 175.76 175.63 3gir s LEU 357 N -1.73 2.39 -0.07 0.00 1.02 0.17 -1.25 118.68 119.20 3gir s LEU 357 Ca 0.32 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.68 3gir s LEU 357 Cb -0.15 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 3gir s LEU 357 CO 0.17 0.01 -0.08 -0.44 0.02 0.00 0.00 176.35 176.03 3gir s SER 358 N -2.38 4.52 0.22 2.29 0.01 -0.55 -1.31 113.70 116.50 3gir s SER 358 Ca 0.13 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 3gir s SER 358 Cb -0.07 -1.17 -0.10 0.00 0.21 0.00 0.00 66.02 64.89 3gir s SER 358 CO 0.06 0.34 1.44 -0.69 0.41 0.00 0.00 173.24 174.80 3gir s VAL 359 N -0.68 2.77 0.01 3.43 1.01 -0.03 -0.54 120.40 126.38 3gir s VAL 359 Ca 0.10 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3gir s VAL 359 Cb -0.11 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3gir s VAL 359 CO 0.02 0.09 -0.07 -2.28 0.00 0.00 0.00 175.10 172.85 3gir s HIS 360 N 0.28 0.60 0.66 5.22 5.04 0.13 -0.61 115.29 126.62 3gir s HIS 360 Ca 0.61 -0.22 -0.17 0.00 -1.54 0.00 0.00 55.06 53.73 3gir s HIS 360 Cb -0.41 -0.38 -0.00 0.00 0.04 0.00 0.00 32.58 31.83 3gir s HIS 360 CO 0.40 -0.03 1.24 -1.13 -2.34 0.00 0.00 174.74 172.88 3gir n SER 361 N 2.47 1.80 -4.43 9.88 3.41 -1.26 -3.15 113.62 122.34 3gir n SER 361 Ca -0.16 0.80 -0.30 0.00 -0.26 0.00 0.00 58.87 58.95 3gir n SER 361 Cb 0.57 -1.53 -0.13 0.00 -0.26 0.00 0.00 64.21 62.86 3gir n SER 361 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gir s LEU 362 N -4.22 2.48 0.78 1.04 1.43 -1.26 -4.25 118.68 114.68 3gir s LEU 362 Ca 0.81 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3gir s LEU 362 Cb -0.37 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3gir s LEU 362 CO 0.42 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 176.14 3gir s PRO 363 N -1.84 2.26 0.19 1.29 0.04 -1.26 -5.04 135.00 130.64 3gir s PRO 363 Ca 0.15 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3gir s PRO 363 Cb -0.10 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.59 3gir s PRO 363 CO 0.07 -1.50 1.46 0.74 0.04 0.00 0.00 177.00 177.81 3gir h PHE 364 N -1.00 0.46 -4.56 0.56 -1.00 -1.19 -3.45 116.94 106.77 3gir h PHE 364 Ca -0.46 -0.20 -0.69 0.00 2.81 0.00 0.00 57.97 59.42 3gir h PHE 364 Cb 1.26 -0.07 -0.30 0.00 3.61 0.00 0.00 35.95 40.45 3gir h PHE 364 CO 0.48 0.94 -0.89 0.08 -1.61 0.00 0.00 178.31 177.32 3gir s VAL 365 N -3.61 2.02 0.24 -0.55 1.01 -0.89 -4.92 120.40 113.70 3gir s VAL 365 Ca -0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 3gir s VAL 365 Cb 0.11 -1.68 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 3gir s VAL 365 CO 0.83 0.54 1.64 -0.70 0.00 0.00 0.00 175.10 177.41 3gir s GLU 366 N -0.67 4.14 0.34 2.72 2.12 -1.26 -4.68 118.70 121.41 3gir s GLU 366 Ca 0.10 2.55 -0.26 0.00 0.36 0.00 0.00 54.97 57.72 3gir s GLU 366 Cb -0.10 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 3gir s GLU 366 CO -0.01 -0.67 1.00 -0.65 -0.54 0.00 0.00 175.26 174.39 3gir s GLN 367 N 0.38 4.45 -0.28 4.30 -0.21 -1.26 -4.95 119.66 122.09 3gir s GLN 367 Ca 0.69 1.45 0.13 0.00 0.02 0.00 0.00 55.36 57.65 3gir s GLN 367 Cb -0.48 -2.77 0.48 0.00 1.00 0.00 0.00 33.01 31.24 3gir s GLN 367 CO 0.39 0.13 1.16 0.54 -2.12 0.00 0.00 175.29 175.39 3gir n ARG 368 N 0.44 2.96 -1.95 2.91 1.74 0.10 -5.03 116.66 117.82 3gir n ARG 368 Ca 0.03 -3.94 -0.35 0.00 -0.77 0.00 0.00 57.85 52.81 3gir n ARG 368 Cb 0.49 -2.04 0.04 0.00 -1.02 0.00 0.00 32.46 29.93 3gir n ARG 368 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gir s TYR 369 N -3.67 2.39 0.28 -1.55 2.02 -1.26 -2.57 117.35 112.99 3gir s TYR 369 Ca 0.43 1.53 -0.30 0.00 -0.37 0.00 0.00 57.07 58.36 3gir s TYR 369 Cb 0.38 -3.44 -0.11 0.00 -0.40 0.00 0.00 41.96 38.39 3gir s TYR 369 CO 0.01 -2.17 1.49 0.12 -1.57 0.00 0.00 175.55 173.43 3gir s PHE 370 N -1.71 2.90 -0.84 2.71 5.36 -1.26 -4.89 117.98 120.25 3gir s PHE 370 Ca 0.76 0.96 0.07 0.00 -0.96 0.00 0.00 56.93 57.75 3gir s PHE 370 Cb -0.29 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.53 3gir s PHE 370 CO 0.34 -3.00 0.71 1.63 -1.46 0.00 0.00 175.22 173.45