#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1f s ALA 2 N 0.00 3.43 0.52 -1.39 0.00 -1.26 -4.98 121.76 118.07 3a1f s ALA 2 Ca 0.00 -0.94 0.23 0.00 0.00 0.00 0.00 51.96 51.24 3a1f s ALA 2 Cb 0.00 -1.42 1.34 0.00 0.00 0.00 0.00 23.12 23.03 3a1f s ALA 2 CO 0.00 0.68 2.02 -0.24 0.00 0.00 0.00 175.76 178.22 3a1f h VAL 3 N 3.24 0.79 -0.67 0.00 3.04 -1.92 0.31 116.25 121.04 3a1f h VAL 3 Ca -0.49 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3a1f h VAL 3 Cb 1.18 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3a1f h VAL 3 CO 0.60 0.01 0.00 -0.90 -1.01 0.00 0.00 177.57 176.27 3a1f n ASP 4 N -4.41 3.68 -4.91 3.17 5.75 -1.26 -2.58 116.55 116.00 3a1f n ASP 4 Ca 0.08 -2.00 -0.21 0.00 -0.01 0.00 0.00 54.79 52.66 3a1f n ASP 4 Cb 0.51 -0.44 0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3a1f n ASP 4 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3a1f s GLY 5 N -1.05 1.79 0.44 6.12 0.00 0.11 -3.03 107.32 111.70 3a1f s GLY 5 Ca 0.46 -1.79 0.26 0.00 0.00 0.00 0.00 44.72 43.64 3a1f s GLY 5 CO 0.32 -1.38 1.72 -2.55 0.00 0.00 0.00 173.10 171.21 3a1f h PRO 6 N 0.01 0.22 -0.32 2.90 0.11 -1.85 0.03 132.00 133.10 3a1f h PRO 6 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3a1f h PRO 6 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3a1f h PRO 6 CO 0.43 0.15 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 3a1f n PHE 7 N -4.57 0.65 -1.93 0.65 3.01 -1.26 -4.75 117.46 109.27 3a1f n PHE 7 Ca 0.30 -0.64 -0.32 0.00 1.01 0.00 0.00 57.45 57.80 3a1f n PHE 7 Cb 1.13 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 40.48 3a1f n PHE 7 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3a1f s GLY 8 N -1.33 1.85 0.24 1.37 0.00 -0.00 -4.90 107.32 104.55 3a1f s GLY 8 Ca 0.30 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.10 3a1f s GLY 8 CO 0.13 0.42 1.88 -0.84 0.00 0.00 0.00 173.10 174.69 3a1f h THR 9 N -0.02 1.12 -0.57 0.90 2.02 -1.81 -1.66 112.91 112.90 3a1f h THR 9 Ca -0.45 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 3a1f h THR 9 Cb 1.20 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3a1f h THR 9 CO 0.59 0.20 0.26 0.00 0.37 0.00 0.00 175.52 176.95 3a1f h ALA 10 N 1.39 0.73 -0.64 6.16 0.00 -1.85 -0.59 119.26 124.46 3a1f h ALA 10 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3a1f h ALA 10 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a1f h ALA 10 CO -0.14 0.31 0.14 1.03 0.00 0.00 0.00 179.25 180.58 3a1f h SER 11 N 0.77 0.98 -0.48 0.00 0.87 -1.55 -0.80 113.55 113.35 3a1f h SER 11 Ca 0.19 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3a1f h SER 11 Cb 0.14 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3a1f h SER 11 CO -0.02 0.97 0.17 -0.33 -0.53 0.00 0.00 176.83 177.09 3a1f h GLU 12 N 0.95 0.73 -0.44 2.24 5.08 -1.01 -1.96 114.58 120.17 3a1f h GLU 12 Ca 0.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3a1f h GLU 12 Cb 0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3a1f h GLU 12 CO 0.01 0.68 0.25 -0.44 -1.00 0.00 0.00 179.01 178.50 3a1f h ASP 13 N 0.63 0.54 -0.72 1.42 3.32 -0.89 -2.51 116.42 118.22 3a1f h ASP 13 Ca 0.16 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3a1f h ASP 13 Cb 0.24 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3a1f h ASP 13 CO -0.01 0.47 0.44 0.58 -1.72 0.00 0.00 179.24 179.00 3a1f h VAL 14 N 0.58 1.07 0.00 -1.35 2.07 -0.98 -1.60 116.25 116.04 3a1f h VAL 14 Ca 0.16 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3a1f h VAL 14 Cb 0.04 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3a1f h VAL 14 CO -0.03 0.16 0.00 0.33 0.02 0.00 0.00 177.57 178.05 3a1f n PHE 15 N -4.68 0.00 1.24 1.57 7.35 -0.75 -2.83 117.46 119.36 3a1f n PHE 15 Ca 0.08 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.91 3a1f n PHE 15 Cb 0.11 -0.26 0.47 0.00 0.35 0.00 0.00 39.48 40.15 3a1f n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3a1f n SER 16 N -1.26 0.60 -4.69 -2.13 3.41 -0.60 -3.91 113.62 105.03 3a1f n SER 16 Ca 0.11 -0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 57.92 3a1f n SER 16 Cb 0.16 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 3a1f n SER 16 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3a1f s TYR 17 N -2.64 3.00 0.16 7.33 1.51 -1.13 -4.95 117.35 120.63 3a1f s TYR 17 Ca 0.22 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3a1f s TYR 17 Cb 0.19 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 3a1f s TYR 17 CO 0.54 0.48 1.40 1.49 -1.11 0.00 0.00 175.55 178.36 3a1f h GLU 18 N 3.38 0.49 -4.53 -0.62 4.81 -1.72 -3.15 114.58 113.25 3a1f h GLU 18 Ca -0.48 -0.40 -0.33 0.00 -0.13 0.00 0.00 59.36 58.02 3a1f h GLU 18 Cb 1.17 0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.37 3a1f h GLU 18 CO 0.60 1.04 -0.76 0.08 -0.73 0.00 0.00 179.01 179.24 3a1f s VAL 19 N -3.65 0.55 0.06 0.32 1.01 -1.26 -0.45 120.40 116.98 3a1f s VAL 19 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3a1f s VAL 19 Cb 0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3a1f s VAL 19 CO 0.85 -0.02 -0.05 0.68 0.00 0.00 0.00 175.10 176.57 3a1f s VAL 20 N -0.55 0.36 -0.22 2.92 -7.23 -0.65 -1.50 120.40 113.54 3a1f s VAL 20 Ca -0.01 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 3a1f s VAL 20 Cb -0.05 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.74 3a1f s VAL 20 CO 0.00 -0.79 -0.13 -0.04 -0.31 0.00 0.00 175.10 173.83 3a1f s MET 21 N -3.11 2.37 -0.19 4.82 -1.94 0.31 -0.68 119.30 120.88 3a1f s MET 21 Ca 0.02 -1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 52.92 3a1f s MET 21 Cb 0.01 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 3a1f s MET 21 CO -0.06 -0.43 -0.03 -0.51 -0.01 0.00 0.00 175.02 173.99 3a1f s LEU 22 N 1.25 3.14 -0.15 -0.03 1.43 0.48 -0.58 118.68 124.21 3a1f s LEU 22 Ca -0.03 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3a1f s LEU 22 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3a1f s LEU 22 CO -0.08 0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.71 3a1f s VAL 23 N 0.86 1.84 -0.11 -1.59 1.01 -0.05 -0.07 120.40 122.29 3a1f s VAL 23 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3a1f s VAL 23 Cb -0.14 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3a1f s VAL 23 CO 0.02 0.51 -0.10 -0.83 0.00 0.00 0.00 175.10 174.69 3a1f s GLY 24 N 1.21 0.88 -0.05 4.51 0.00 -0.50 -1.51 107.32 111.86 3a1f s GLY 24 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.18 3a1f s GLY 24 CO -0.09 0.61 -0.19 0.00 0.00 0.00 0.00 173.10 173.44 3a1f s ALA 25 N 1.46 2.45 0.00 3.20 0.00 -0.84 -1.83 121.76 126.19 3a1f s ALA 25 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3a1f s ALA 25 Cb -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3a1f s ALA 25 CO -0.06 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.60 3a1f n GLY 26 N 2.59 3.37 0.07 0.00 0.00 -0.59 -0.31 105.19 110.32 3a1f n GLY 26 Ca -0.17 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.82 3a1f n GLY 26 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a1f n ILE 27 N 0.00 0.91 0.44 -0.61 -5.35 -1.26 -2.58 119.36 110.91 3a1f n ILE 27 Ca 0.00 0.24 0.05 0.00 -0.27 0.00 0.00 62.75 62.76 3a1f n ILE 27 Cb 0.00 -1.08 0.24 0.00 -1.74 0.00 0.00 39.64 37.06 3a1f n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1f n GLY 28 N 0.00 -0.62 0.14 3.28 0.00 0.57 -1.58 105.19 106.98 3a1f n GLY 28 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3a1f n GLY 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a1f h VAL 29 N 0.00 1.02 -0.41 1.61 3.04 -1.63 -3.35 116.25 116.52 3a1f h VAL 29 Ca 0.00 -2.28 0.08 0.00 -1.01 0.00 0.00 66.70 63.50 3a1f h VAL 29 Cb 0.10 2.39 -0.08 0.00 -2.01 0.00 0.00 31.29 31.69 3a1f h VAL 29 CO 0.00 0.55 -0.08 0.74 -1.01 0.00 0.00 177.57 177.77 3a1f h THR 30 N 0.00 0.60 -0.43 3.17 2.02 -1.54 -1.71 112.91 115.03 3a1f h THR 30 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3a1f h THR 30 Cb 1.34 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3a1f h THR 30 CO 0.07 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.48 3a1f h PRO 31 N 0.02 0.61 0.00 6.66 0.11 -1.79 -1.99 132.00 135.62 3a1f h PRO 31 Ca 0.20 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3a1f h PRO 31 Cb 0.30 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3a1f h PRO 31 CO -0.41 0.51 -0.05 0.74 -0.21 0.00 0.00 178.00 178.58 3a1f h PHE 32 N 0.61 0.00 -0.03 0.65 -1.00 -1.51 -2.34 116.94 113.31 3a1f h PHE 32 Ca 0.15 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 3a1f h PHE 32 Cb 0.13 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3a1f h PHE 32 CO 0.01 0.05 0.02 0.00 -1.61 0.00 0.00 178.31 176.77 3a1f h ALA 33 N 1.95 0.04 -0.33 2.45 0.00 -1.13 0.18 119.26 122.42 3a1f h ALA 33 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3a1f h ALA 33 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3a1f h ALA 33 CO 0.01 -0.44 -0.31 1.03 0.00 0.00 0.00 179.25 179.54 3a1f h SER 34 N -0.02 0.74 -0.32 0.00 0.87 -1.55 -2.62 113.55 110.65 3a1f h SER 34 Ca 0.01 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 3a1f h SER 34 Cb 0.06 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3a1f h SER 34 CO -0.00 0.99 0.08 0.40 -0.53 0.00 0.00 176.83 177.77 3a1f h ILE 35 N 0.60 1.22 -0.80 2.23 2.04 -1.17 -0.97 117.51 120.65 3a1f h ILE 35 Ca 0.07 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3a1f h ILE 35 Cb 0.82 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3a1f h ILE 35 CO 0.07 0.24 0.32 -0.07 0.00 0.00 0.00 178.15 178.72 3a1f h LEU 36 N 0.35 1.11 -0.16 1.44 3.38 -0.62 0.26 115.31 121.06 3a1f h LEU 36 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a1f h LEU 36 Cb 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a1f h LEU 36 CO 0.00 0.98 0.07 0.11 0.09 0.00 0.00 178.44 179.69 3a1f h LYS 37 N 1.17 0.23 -0.78 1.13 1.57 -1.32 -1.17 116.57 117.40 3a1f h LYS 37 Ca 0.27 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3a1f h LYS 37 Cb 0.21 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3a1f h LYS 37 CO -0.02 0.29 0.33 0.66 -0.57 0.00 0.00 179.45 180.14 3a1f h SER 38 N 0.12 1.05 -0.60 0.86 4.64 -0.85 -0.25 113.55 118.52 3a1f h SER 38 Ca 0.05 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 3a1f h SER 38 Cb 0.14 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3a1f h SER 38 CO -0.01 0.92 0.01 0.58 -0.87 0.00 0.00 176.83 177.46 3a1f h VAL 39 N 1.12 1.26 -0.50 0.95 2.07 -0.78 0.01 116.25 120.38 3a1f h VAL 39 Ca 0.26 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 3a1f h VAL 39 Cb 0.18 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3a1f h VAL 39 CO -0.03 0.41 -0.07 -0.25 0.02 0.00 0.00 177.57 177.66 3a1f h TRP 40 N 0.97 0.98 -0.05 1.57 -0.00 -0.86 -0.60 115.95 117.96 3a1f h TRP 40 Ca 0.18 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3a1f h TRP 40 Cb 0.54 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.44 3a1f h TRP 40 CO 0.04 0.92 0.02 -0.92 -0.00 0.00 0.00 178.44 178.49 3a1f h TYR 41 N 0.81 0.08 -0.51 2.65 3.20 -0.59 -2.43 116.97 120.18 3a1f h TYR 41 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3a1f h TYR 41 Cb 0.58 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3a1f h TYR 41 CO 0.03 0.22 0.30 0.87 -1.64 0.00 0.00 178.16 177.94 3a1f h LYS 42 N -0.09 0.58 -0.95 1.82 1.57 -0.87 -0.75 116.57 117.88 3a1f h LYS 42 Ca 0.02 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3a1f h LYS 42 Cb 0.18 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3a1f h LYS 42 CO -0.00 0.38 0.61 -0.92 -0.57 0.00 0.00 179.45 178.95 3a1f h TYR 43 N 0.59 1.03 0.00 -1.35 3.20 -0.96 1.04 116.97 120.52 3a1f h TYR 43 Ca 0.21 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3a1f h TYR 43 Cb 0.03 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3a1f h TYR 43 CO -0.07 0.44 -0.65 0.00 -1.64 0.00 0.00 178.16 176.24 3a1f n ASN 45 N -3.02 1.86 -4.47 0.00 4.13 -0.34 -4.96 115.26 108.46 3a1f n ASN 45 Ca -0.00 -0.14 -0.44 0.00 1.68 0.00 0.00 54.58 55.68 3a1f n ASN 45 Cb 0.66 0.66 0.00 0.00 -1.54 0.00 0.00 39.78 39.57 3a1f n ASN 45 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3a1f n ASN 46 N -0.85 5.18 -0.32 6.41 4.13 0.35 -4.84 115.26 125.33 3a1f n ASN 46 Ca 0.00 -2.97 -0.01 0.00 1.68 0.00 0.00 54.58 53.28 3a1f n ASN 46 Cb 0.00 -1.59 0.12 0.00 -1.54 0.00 0.00 39.78 36.77 3a1f n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a1f h ALA 47 N 7.15 1.17 0.00 5.41 0.00 -1.93 -2.85 119.26 128.21 3a1f h ALA 47 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a1f h ALA 47 Cb 0.87 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a1f h ALA 47 CO 1.28 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.91 3a1f h THR 48 N 1.07 0.00 -3.22 0.00 1.03 -1.97 -3.39 112.91 106.42 3a1f h THR 48 Ca 0.36 -0.04 -0.44 0.00 -0.01 0.00 0.00 66.41 66.28 3a1f h THR 48 Cb 0.05 0.83 -0.39 0.00 -1.07 0.00 0.00 68.15 67.56 3a1f h THR 48 CO -0.13 0.00 -0.75 0.21 -0.01 0.00 0.00 175.52 174.83 3a1f s ASN 49 N -4.71 1.85 -0.13 0.00 3.84 -1.08 -5.01 114.94 109.71 3a1f s ASN 49 Ca -0.03 -0.29 0.15 0.00 0.21 0.00 0.00 52.86 52.90 3a1f s ASN 49 Cb 0.10 -0.32 0.31 0.00 -0.55 0.00 0.00 41.25 40.78 3a1f s ASN 49 CO 0.33 -0.27 1.16 0.18 -2.79 0.00 0.00 177.10 175.71 3a1f n LEU 50 N 5.21 2.03 0.35 3.21 4.77 -1.26 -4.84 117.00 126.47 3a1f n LEU 50 Ca -0.06 -2.98 -0.17 0.00 -0.03 0.00 0.00 56.01 52.77 3a1f n LEU 50 Cb 0.49 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 3a1f n LEU 50 CO 0.09 0.86 0.65 0.11 -1.33 0.00 0.00 177.39 177.78 3a1f h LYS 51 N 0.42 -0.82 -6.36 3.23 1.79 -1.91 -3.43 116.57 109.50 3a1f h LYS 51 Ca -0.02 0.06 -0.54 0.00 -2.18 0.00 0.00 60.65 57.96 3a1f h LYS 51 Cb 1.14 0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.98 3a1f h LYS 51 CO 0.01 -0.54 1.04 -1.17 -1.08 0.00 0.00 179.45 177.71 3a1f s LEU 52 N -10.04 4.35 -0.00 2.94 0.20 -1.19 -4.13 118.68 110.81 3a1f s LEU 52 Ca -0.17 2.36 0.01 0.00 0.69 0.00 0.00 54.13 57.02 3a1f s LEU 52 Cb 0.03 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.23 3a1f s LEU 52 CO 0.62 -0.90 0.02 0.29 -0.29 0.00 0.00 176.35 176.08 3a1f n LYS 53 N 6.35 1.17 -3.75 1.98 4.76 0.40 -5.02 118.16 124.05 3a1f n LYS 53 Ca 0.16 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 3a1f n LYS 53 Cb 0.42 -1.02 -0.12 0.00 -1.84 0.00 0.00 35.03 32.47 3a1f n LYS 53 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3a1f s LYS 54 N -2.05 0.30 -0.11 1.97 2.47 -0.93 -4.71 119.74 116.68 3a1f s LYS 54 Ca -0.00 0.49 0.03 0.00 -1.56 0.00 0.00 55.97 54.92 3a1f s LYS 54 Cb 0.01 0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.43 3a1f s LYS 54 CO 0.04 -0.09 -0.20 0.42 0.16 0.00 0.00 175.35 175.67 3a1f s ILE 55 N 0.66 1.82 -0.33 5.43 1.01 0.31 -1.63 121.20 128.47 3a1f s ILE 55 Ca -0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3a1f s ILE 55 Cb -0.05 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.86 3a1f s ILE 55 CO -0.04 0.51 0.08 -0.31 0.00 0.00 0.00 174.94 175.17 3a1f s TYR 56 N 0.62 3.30 -0.14 3.97 1.51 0.15 -0.94 117.35 125.82 3a1f s TYR 56 Ca -0.13 -1.71 -0.05 0.00 -1.01 0.00 0.00 57.07 54.17 3a1f s TYR 56 Cb -0.16 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.31 3a1f s TYR 56 CO 0.04 -0.79 0.05 0.12 -1.11 0.00 0.00 175.55 173.85 3a1f s PHE 57 N 1.32 3.26 -0.16 2.71 5.36 0.79 -0.39 117.98 130.87 3a1f s PHE 57 Ca -0.02 0.16 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 3a1f s PHE 57 Cb -0.20 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 3a1f s PHE 57 CO 0.01 0.35 -0.20 0.71 -1.46 0.00 0.00 175.22 174.62 3a1f s TYR 58 N -0.31 2.68 -0.27 10.12 1.51 0.91 -0.50 117.35 131.49 3a1f s TYR 58 Ca 0.08 -1.50 -0.01 0.00 -1.01 0.00 0.00 57.07 54.64 3a1f s TYR 58 Cb -0.12 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 3a1f s TYR 58 CO 0.02 -0.72 -0.05 -0.46 -1.11 0.00 0.00 175.55 173.22 3a1f s TRP 59 N 1.12 3.16 -0.38 2.71 -0.00 -0.26 -1.41 118.94 123.89 3a1f s TRP 59 Ca 0.00 -1.80 -0.16 0.00 -0.00 0.00 0.00 56.10 54.14 3a1f s TRP 59 Cb -0.14 -2.05 0.00 0.00 -0.00 0.00 0.00 33.47 31.29 3a1f s TRP 59 CO -0.09 -0.78 0.41 -0.51 -0.00 0.00 0.00 176.95 175.98 3a1f s LEU 60 N 1.26 4.61 0.01 5.86 1.43 -0.76 -0.10 118.68 130.99 3a1f s LEU 60 Ca -0.03 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3a1f s LEU 60 Cb -0.18 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3a1f s LEU 60 CO -0.04 -0.46 -0.20 0.00 0.23 0.00 0.00 176.35 175.88 3a1f n ARG 62 N 2.24 0.35 -3.48 0.00 1.74 -1.26 -0.60 116.66 115.64 3a1f n ARG 62 Ca -0.16 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 3a1f n ARG 62 Cb 0.53 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 3a1f n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a1f s ASP 63 N -6.29 6.09 0.34 0.55 -1.08 -1.26 -4.59 116.67 110.44 3a1f s ASP 63 Ca -0.22 -0.60 0.18 0.00 -0.52 0.00 0.00 52.55 51.39 3a1f s ASP 63 Cb 0.06 -2.15 0.45 0.00 -1.46 0.00 0.00 42.92 39.82 3a1f s ASP 63 CO 0.29 -0.34 1.62 0.71 0.52 0.00 0.00 175.17 177.97 3a1f h THR 64 N 5.56 0.82 0.21 1.71 1.35 -1.97 -3.31 112.91 117.28 3a1f h THR 64 Ca -0.29 -1.77 -0.35 0.00 -0.55 0.00 0.00 66.41 63.45 3a1f h THR 64 Cb 1.14 2.12 0.02 0.00 -1.73 0.00 0.00 68.15 69.70 3a1f h THR 64 CO 0.68 0.40 -1.67 -0.74 -0.25 0.00 0.00 175.52 173.94 3a1f h HIS 65 N 0.00 0.79 -1.03 4.73 -0.00 -1.98 -3.13 115.15 114.54 3a1f h HIS 65 Ca -0.00 -0.58 0.26 0.00 -0.00 0.00 0.00 60.37 60.05 3a1f h HIS 65 Cb 1.09 -0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 28.35 3a1f h HIS 65 CO 0.00 1.64 0.63 0.00 -0.00 0.00 0.00 177.93 180.19 3a1f h ALA 66 N 0.14 1.98 -0.59 5.26 0.00 -2.00 -0.83 119.26 123.22 3a1f h ALA 66 Ca -0.32 0.10 -0.43 0.00 0.00 0.00 0.00 54.91 54.27 3a1f h ALA 66 Cb 2.12 0.03 -0.36 0.00 0.00 0.00 0.00 17.79 19.58 3a1f h ALA 66 CO 0.21 -0.44 -0.80 1.19 0.00 0.00 0.00 179.25 179.41 3a1f n PHE 67 N -4.79 2.15 -0.20 0.00 3.01 -1.26 -4.78 117.46 111.59 3a1f n PHE 67 Ca 0.27 -2.07 0.13 0.00 1.01 0.00 0.00 57.45 56.79 3a1f n PHE 67 Cb 0.82 -0.31 0.45 0.00 -0.01 0.00 0.00 39.48 40.42 3a1f n PHE 67 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3a1f h GLU 68 N 2.01 0.52 -0.06 -1.08 4.22 -1.08 0.50 114.58 119.61 3a1f h GLU 68 Ca 0.26 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.64 3a1f h GLU 68 Cb 1.44 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3a1f h GLU 68 CO 0.58 0.35 -0.09 0.11 -2.18 0.00 0.00 179.01 177.78 3a1f h TRP 69 N 0.54 0.09 -0.26 0.92 5.08 -1.86 -2.29 115.95 118.16 3a1f h TRP 69 Ca 0.39 -0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.21 3a1f h TRP 69 Cb 0.75 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.87 3a1f h TRP 69 CO -0.00 0.18 -0.42 0.35 -1.28 0.00 0.00 178.44 177.28 3a1f h PHE 70 N 0.09 0.75 -0.63 0.12 3.57 -1.28 -1.57 116.94 117.99 3a1f h PHE 70 Ca 0.02 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 3a1f h PHE 70 Cb 0.22 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3a1f h PHE 70 CO 0.00 0.94 0.08 0.00 -2.23 0.00 0.00 178.31 177.11 3a1f h ALA 71 N 1.03 0.95 -0.34 2.41 0.00 -1.42 -1.40 119.26 120.49 3a1f h ALA 71 Ca 0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3a1f h ALA 71 Cb 0.94 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3a1f h ALA 71 CO 0.08 0.65 -0.10 -0.44 0.00 0.00 0.00 179.25 179.44 3a1f h ASP 72 N 0.98 0.56 -0.46 0.00 3.32 -1.26 -1.79 116.42 117.78 3a1f h ASP 72 Ca 0.19 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3a1f h ASP 72 Cb 0.45 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3a1f h ASP 72 CO 0.02 0.70 0.09 0.25 -1.72 0.00 0.00 179.24 178.58 3a1f h LEU 73 N 0.54 0.71 -0.47 1.55 5.85 -0.69 -0.27 115.31 122.52 3a1f h LEU 73 Ca 0.10 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3a1f h LEU 73 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3a1f h LEU 73 CO 0.03 0.77 0.31 -0.07 -0.34 0.00 0.00 178.44 179.14 3a1f h LEU 74 N 0.61 0.54 -0.60 2.25 3.38 -0.84 0.25 115.31 120.91 3a1f h LEU 74 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a1f h LEU 74 Cb 0.35 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3a1f h LEU 74 CO 0.01 0.40 0.21 1.56 0.09 0.00 0.00 178.44 180.70 3a1f h GLN 75 N 0.64 0.91 0.08 1.13 4.20 -1.18 0.31 115.11 121.19 3a1f h GLN 75 Ca 0.17 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3a1f h GLN 75 Cb -0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3a1f h GLN 75 CO -0.04 0.79 -0.13 1.25 -0.67 0.00 0.00 178.83 180.04 3a1f h LEU 76 N 0.84 -0.35 -0.35 1.46 5.85 -0.43 0.17 115.31 122.50 3a1f h LEU 76 Ca 0.20 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3a1f h LEU 76 Cb 0.24 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3a1f h LEU 76 CO -0.01 -0.19 0.16 -0.07 -0.34 0.00 0.00 178.44 177.99 3a1f h LEU 77 N -0.26 0.22 -0.69 2.25 3.38 -0.81 -0.53 115.31 118.88 3a1f h LEU 77 Ca 0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3a1f h LEU 77 Cb 0.27 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3a1f h LEU 77 CO -0.07 0.17 0.39 -0.08 0.09 0.00 0.00 178.44 178.94 3a1f h GLU 78 N 0.33 0.70 0.06 1.13 4.81 -0.63 -0.02 114.58 120.97 3a1f h GLU 78 Ca 0.15 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3a1f h GLU 78 Cb 0.08 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3a1f h GLU 78 CO -0.12 0.46 -0.03 1.03 -0.73 0.00 0.00 179.01 179.62 3a1f h SER 79 N 0.72 -0.07 -0.98 1.04 0.87 0.04 -1.23 113.55 113.94 3a1f h SER 79 Ca 0.31 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 3a1f h SER 79 Cb 0.19 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.10 3a1f h SER 79 CO -0.18 0.12 0.63 1.56 -0.53 0.00 0.00 176.83 178.43 3a1f h GLN 80 N -0.27 1.12 -0.49 2.24 1.08 -0.79 -1.18 115.11 116.83 3a1f h GLN 80 Ca -0.01 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 3a1f h GLN 80 Cb 0.23 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3a1f h GLN 80 CO 0.01 0.74 0.08 0.52 -0.95 0.00 0.00 178.83 179.23 3a1f h MET 81 N 1.16 0.81 -0.41 1.46 2.86 -0.80 -1.13 114.93 118.88 3a1f h MET 81 Ca 0.42 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3a1f h MET 81 Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3a1f h MET 81 CO -0.17 0.82 0.06 1.96 1.06 0.00 0.00 176.91 180.64 3a1f h GLN 82 N 0.69 0.63 0.54 1.72 7.50 -0.71 0.13 115.11 125.61 3a1f h GLN 82 Ca 0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 3a1f h GLN 82 Cb 0.40 -0.10 0.01 0.00 0.05 0.00 0.00 27.48 27.84 3a1f h GLN 82 CO 0.01 0.61 -0.26 0.93 -1.50 0.00 0.00 178.83 178.62 3a1f h GLU 83 N 0.61 -0.70 -1.71 1.46 5.08 -0.76 -3.21 114.58 115.35 3a1f h GLU 83 Ca 0.13 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3a1f h GLU 83 Cb 0.30 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3a1f h GLU 83 CO 0.00 -0.46 0.10 0.54 -1.00 0.00 0.00 179.01 178.19 3a1f n ARG 84 N -4.13 1.20 -2.97 2.33 1.74 -0.47 -4.79 116.66 109.57 3a1f n ARG 84 Ca -0.09 -0.40 -0.12 0.00 -0.77 0.00 0.00 57.85 56.47 3a1f n ARG 84 Cb 0.28 -1.16 0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3a1f n ARG 84 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a1f n ASN 85 N 1.03 -3.12 -0.61 0.55 3.02 -1.12 -4.88 115.26 110.12 3a1f n ASN 85 Ca 0.08 -0.34 -0.01 0.00 -0.03 0.00 0.00 54.58 54.28 3a1f n ASN 85 Cb 0.54 -3.18 -0.01 0.00 -0.61 0.00 0.00 39.78 36.52 3a1f n ASN 85 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3a1f n ASN 86 N -1.77 -0.10 -4.75 6.41 5.15 -0.01 -5.05 115.26 115.14 3a1f n ASN 86 Ca -0.09 -1.35 -0.41 0.00 -0.60 0.00 0.00 54.58 52.12 3a1f n ASN 86 Cb 0.57 -0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 3a1f n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a1f s ALA 87 N 0.00 3.63 0.00 5.20 0.00 -0.96 -1.54 121.76 128.09 3a1f s ALA 87 Ca 0.01 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3a1f s ALA 87 Cb 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3a1f s ALA 87 CO -0.01 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3a1f n GLY 88 N 1.92 1.75 0.26 0.00 0.00 -1.26 -4.92 105.19 102.95 3a1f n GLY 88 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3a1f n GLY 88 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a1f h PHE 89 N 0.00 1.04 -3.29 1.61 -0.00 -1.56 -3.43 116.94 111.31 3a1f h PHE 89 Ca 0.00 -0.24 -0.67 0.00 -0.00 0.00 0.00 57.97 57.06 3a1f h PHE 89 Cb 0.00 -0.25 -0.32 0.00 -0.00 0.00 0.00 35.95 35.39 3a1f h PHE 89 CO 0.00 1.03 -0.85 -1.17 -0.00 0.00 0.00 178.31 177.32 3a1f s LEU 90 N -9.16 2.26 -0.09 0.59 2.96 -1.26 -0.53 118.68 113.45 3a1f s LEU 90 Ca -0.12 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 3a1f s LEU 90 Cb 0.11 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3a1f s LEU 90 CO 0.85 0.13 -0.19 -0.44 -1.32 0.00 0.00 176.35 175.38 3a1f s SER 91 N 0.55 2.53 0.03 3.68 0.01 -0.11 -4.99 113.70 115.40 3a1f s SER 91 Ca -0.12 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.73 3a1f s SER 91 Cb -0.17 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.88 3a1f s SER 91 CO 0.04 0.10 -0.12 -0.72 0.41 0.00 0.00 173.24 172.95 3a1f s TYR 92 N 0.52 1.06 -0.09 2.43 1.13 -1.26 -0.15 117.35 120.99 3a1f s TYR 92 Ca -0.16 -0.32 0.03 0.00 -1.41 0.00 0.00 57.07 55.20 3a1f s TYR 92 Cb -0.17 -0.64 0.01 0.00 -1.10 0.00 0.00 41.96 40.06 3a1f s TYR 92 CO 0.06 0.01 -0.18 -0.80 -2.51 0.00 0.00 175.55 172.13 3a1f s ASN 93 N -0.98 2.45 -0.17 -0.18 0.01 0.34 -4.43 114.94 111.99 3a1f s ASN 93 Ca 0.01 -0.43 -0.03 0.00 -0.71 0.00 0.00 52.86 51.69 3a1f s ASN 93 Cb -0.07 -1.12 -0.02 0.00 0.41 0.00 0.00 41.25 40.45 3a1f s ASN 93 CO 0.01 0.08 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.00 3a1f s ILE 94 N 0.62 3.73 -0.22 0.60 1.01 -1.24 -1.10 121.20 124.61 3a1f s ILE 94 Ca -0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3a1f s ILE 94 Cb -0.16 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3a1f s ILE 94 CO 0.04 0.48 -0.11 -0.31 0.00 0.00 0.00 174.94 175.04 3a1f s TYR 95 N 0.62 2.94 -0.58 3.97 1.51 0.86 -0.31 117.35 126.36 3a1f s TYR 95 Ca -0.03 -1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 54.39 3a1f s TYR 95 Cb -0.14 -2.02 0.06 0.00 -0.11 0.00 0.00 41.96 39.75 3a1f s TYR 95 CO 0.02 -0.71 0.84 -0.51 -1.11 0.00 0.00 175.55 174.09 3a1f s LEU 96 N 1.35 4.56 0.00 -1.29 1.43 0.20 -0.31 118.68 124.61 3a1f s LEU 96 Ca 0.03 -0.82 0.23 0.00 -1.03 0.00 0.00 54.13 52.54 3a1f s LEU 96 Cb -0.15 -2.54 0.98 0.00 0.03 0.00 0.00 46.19 44.51 3a1f s LEU 96 CO -0.07 -1.20 1.68 0.35 0.23 0.00 0.00 176.35 177.34 3a1f n THR 97 N 5.89 0.11 0.11 5.49 -2.24 0.23 -0.59 114.28 123.27 3a1f n THR 97 Ca -0.03 -0.23 0.19 0.00 -2.27 0.00 0.00 64.05 61.71 3a1f n THR 97 Cb 0.46 0.20 0.76 0.00 -2.10 0.00 0.00 70.33 69.64 3a1f n THR 97 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3a1f h GLY 98 N 5.06 0.00 0.00 3.38 0.00 -1.81 -3.47 103.07 106.23 3a1f h GLY 98 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3a1f h GLY 98 CO 0.00 0.00 -1.40 0.79 0.00 0.00 0.00 176.54 175.93 3a1f n TRP 99 N -3.93 0.00 0.00 5.60 8.01 -1.26 -5.14 117.44 120.72 3a1f n TRP 99 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 3a1f n TRP 99 Cb 0.50 -0.46 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 3a1f n TRP 99 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3a1f n GLN 123 N -3.82 0.00 -1.80 -0.99 1.13 -1.26 -4.62 117.38 106.02 3a1f n GLN 123 Ca -0.22 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.52 3a1f n GLN 123 Cb 0.56 -0.59 0.03 0.00 0.11 0.00 0.00 30.24 30.35 3a1f n GLN 123 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3a1f s LYS 124 N 0.27 3.13 -0.21 -1.09 3.01 -1.26 -4.88 119.74 118.71 3a1f s LYS 124 Ca 0.00 1.06 -0.08 0.00 -1.01 0.00 0.00 55.97 55.94 3a1f s LYS 124 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 3a1f s LYS 124 CO 0.00 -0.95 0.08 0.99 0.51 0.00 0.00 175.35 175.98 3a1f s THR 125 N -2.79 4.77 0.19 2.17 2.01 -1.26 -3.59 115.64 117.15 3a1f s THR 125 Ca 0.60 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.66 3a1f s THR 125 Cb -0.15 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3a1f s THR 125 CO 0.47 0.41 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.95 3a1f s LEU 126 N 0.75 2.94 -0.18 4.42 1.43 0.58 -4.99 118.68 123.62 3a1f s LEU 126 Ca 0.04 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 3a1f s LEU 126 Cb -0.13 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3a1f s LEU 126 CO 0.02 0.10 0.13 -0.31 0.23 0.00 0.00 176.35 176.51 3a1f s TYR 127 N -1.77 3.45 0.00 0.29 1.51 -1.26 -0.63 117.35 118.94 3a1f s TYR 127 Ca 0.25 0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 3a1f s TYR 127 Cb -0.08 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 3a1f s TYR 127 CO 0.15 0.40 0.00 0.41 -1.11 0.00 0.00 175.55 175.40 3a1f n GLY 128 N 3.12 -0.84 3.69 0.71 0.00 0.24 -4.87 105.19 107.24 3a1f n GLY 128 Ca -0.17 -2.16 -0.25 0.00 0.00 0.00 0.00 46.02 43.44 3a1f n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1f s ARG 129 N 0.00 2.47 0.71 1.61 0.52 -1.26 -3.97 118.95 119.02 3a1f s ARG 129 Ca 0.00 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 3a1f s ARG 129 Cb 0.00 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.14 3a1f s ARG 129 CO 0.00 0.43 1.08 -1.25 0.02 0.00 0.00 175.30 175.57 3a1f s PRO 130 N -3.26 2.84 -0.70 3.54 0.04 -1.26 -4.98 135.00 131.23 3a1f s PRO 130 Ca 0.29 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 3a1f s PRO 130 Cb -0.08 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.61 3a1f s PRO 130 CO 0.20 -1.10 0.71 1.21 0.04 0.00 0.00 177.00 178.07 3a1f s ASN 131 N -4.10 6.44 0.35 6.66 3.84 -1.26 -4.92 114.94 121.95 3a1f s ASN 131 Ca 0.58 -2.04 0.07 0.00 0.21 0.00 0.00 52.86 51.68 3a1f s ASN 131 Cb -0.12 -2.25 0.77 0.00 -0.55 0.00 0.00 41.25 39.09 3a1f s ASN 131 CO 0.53 -0.85 1.88 -0.50 -2.79 0.00 0.00 177.10 175.38 3a1f h TRP 132 N 8.57 0.85 -0.70 0.43 4.06 -1.99 -0.11 115.95 127.06 3a1f h TRP 132 Ca -0.11 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.89 3a1f h TRP 132 Cb 1.07 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.91 3a1f h TRP 132 CO 0.91 0.34 0.44 0.22 -3.56 0.00 0.00 178.44 176.79 3a1f h ASP 133 N 0.74 0.73 -0.57 -3.49 3.58 -1.99 -0.08 116.42 115.34 3a1f h ASP 133 Ca 0.43 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.81 3a1f h ASP 133 Cb 0.61 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3a1f h ASP 133 CO -0.19 0.51 0.07 0.78 -2.88 0.00 0.00 179.24 177.53 3a1f h ASN 134 N 0.87 0.92 -0.09 2.28 -0.26 -1.49 -2.46 115.58 115.36 3a1f h ASN 134 Ca 0.28 -0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 3a1f h ASN 134 Cb 0.01 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.02 3a1f h ASN 134 CO -0.10 0.96 0.03 -0.33 -1.06 0.00 0.00 177.43 176.93 3a1f h GLU 135 N 0.85 0.13 -0.98 0.81 4.39 -0.44 -1.56 114.58 117.78 3a1f h GLU 135 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3a1f h GLU 135 Cb 0.45 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 3a1f h GLU 135 CO 0.02 0.25 0.63 0.74 -1.16 0.00 0.00 179.01 179.49 3a1f h PHE 136 N -0.02 1.26 -0.24 4.33 -1.00 -1.05 -1.28 116.94 118.95 3a1f h PHE 136 Ca 0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 3a1f h PHE 136 Cb 0.17 -0.42 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3a1f h PHE 136 CO -0.02 0.81 0.11 0.87 -1.61 0.00 0.00 178.31 178.47 3a1f h LYS 137 N 1.34 0.35 0.21 1.51 1.57 -1.26 0.19 116.57 120.48 3a1f h LYS 137 Ca 0.36 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3a1f h LYS 137 Cb -0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3a1f h LYS 137 CO -0.07 0.37 -0.15 1.15 -0.57 0.00 0.00 179.45 180.18 3a1f h THR 138 N 0.24 0.68 -0.69 -0.16 2.02 -1.01 0.56 112.91 114.55 3a1f h THR 138 Ca 0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3a1f h THR 138 Cb 0.14 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3a1f h THR 138 CO -0.01 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.73 3a1f h ILE 139 N -0.36 1.13 -0.12 3.11 2.04 -1.15 -2.19 117.51 119.97 3a1f h ILE 139 Ca -0.01 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3a1f h ILE 139 Cb 0.31 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3a1f h ILE 139 CO 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 178.15 178.28 3a1f h ALA 140 N 1.28 0.07 0.00 1.87 0.00 -0.29 -1.96 119.26 120.23 3a1f h ALA 140 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3a1f h ALA 140 Cb -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a1f h ALA 140 CO -0.08 -0.49 -0.03 0.66 0.00 0.00 0.00 179.25 179.30 3a1f h SER 141 N -0.00 0.00 0.73 0.00 4.64 -0.51 -1.78 113.55 116.62 3a1f h SER 141 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a1f h SER 141 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3a1f h SER 141 CO -0.12 0.03 -0.53 0.00 -0.87 0.00 0.00 176.83 175.34 3a1f n GLN 142 N -3.41 0.16 -3.21 4.77 6.02 -0.78 -4.54 117.38 116.40 3a1f n GLN 142 Ca -0.02 0.05 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 3a1f n GLN 142 Cb 0.15 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 3a1f n GLN 142 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3a1f n HIS 143 N -1.83 0.21 -1.38 1.08 8.25 -0.67 -5.10 115.22 115.77 3a1f n HIS 143 Ca 0.04 -3.67 -0.33 0.00 -0.26 0.00 0.00 57.72 53.50 3a1f n HIS 143 Cb 0.39 -0.38 0.09 0.00 1.12 0.00 0.00 29.99 31.21 3a1f n HIS 143 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3a1f s PRO 144 N -1.56 2.12 -1.38 -0.41 0.04 -1.24 -3.24 135.00 129.34 3a1f s PRO 144 Ca 0.37 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 3a1f s PRO 144 Cb 0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3a1f s PRO 144 CO -0.10 -1.82 0.45 -1.71 0.04 0.00 0.00 177.00 173.87 3a1f n ASN 145 N -2.93 -0.92 -3.96 6.66 4.05 0.24 -4.97 115.26 113.44 3a1f n ASN 145 Ca 0.12 -1.03 -0.16 0.00 0.45 0.00 0.00 54.58 53.97 3a1f n ASN 145 Cb 0.51 -2.99 -0.14 0.00 1.23 0.00 0.00 39.78 38.39 3a1f n ASN 145 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3a1f s THR 146 N -3.91 0.41 -0.44 -0.44 2.01 -1.20 -5.02 115.64 107.05 3a1f s THR 146 Ca 0.07 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 3a1f s THR 146 Cb -0.03 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.15 3a1f s THR 146 CO 0.89 0.10 0.49 -0.60 -0.69 0.00 0.00 174.62 174.81 3a1f s ARG 147 N -0.17 3.12 -0.27 4.92 3.52 -1.26 -1.19 118.95 127.62 3a1f s ARG 147 Ca 0.02 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 3a1f s ARG 147 Cb -0.02 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 3a1f s ARG 147 CO -0.00 -0.93 0.17 0.42 -0.81 0.00 0.00 175.30 174.15 3a1f s ILE 148 N 2.28 5.14 -0.05 4.11 1.01 0.26 -4.11 121.20 129.83 3a1f s ILE 148 Ca 0.14 0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3a1f s ILE 148 Cb -0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3a1f s ILE 148 CO 0.14 0.28 0.74 -0.83 0.00 0.00 0.00 174.94 175.27 3a1f s GLY 149 N 1.66 2.67 -0.15 6.18 0.00 -0.56 -0.26 107.32 116.86 3a1f s GLY 149 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.97 3a1f s GLY 149 CO 0.09 1.25 -0.09 0.14 0.00 0.00 0.00 173.10 174.49 3a1f s VAL 150 N 0.81 3.36 0.08 1.40 1.01 -0.36 -0.53 120.40 126.17 3a1f s VAL 150 Ca 0.40 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3a1f s VAL 150 Cb -0.18 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3a1f s VAL 150 CO 0.20 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.28 3a1f s PHE 151 N 0.46 1.37 -0.05 5.22 0.40 0.25 -0.53 117.98 125.11 3a1f s PHE 151 Ca -0.07 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 55.68 3a1f s PHE 151 Cb -0.15 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.64 3a1f s PHE 151 CO 0.04 0.10 0.29 -1.17 0.70 0.00 0.00 175.22 175.18 3a1f s LEU 152 N -1.84 0.90 -0.29 -0.37 2.96 -1.26 -0.87 118.68 117.91 3a1f s LEU 152 Ca 0.01 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3a1f s LEU 152 Cb -0.10 1.14 0.11 0.00 0.50 0.00 0.00 46.19 47.85 3a1f s LEU 152 CO 0.03 -0.32 0.19 0.00 -1.32 0.00 0.00 176.35 174.93 3a1f n GLY 154 N 5.20 -1.27 3.46 0.00 0.00 -1.26 -1.99 105.19 109.34 3a1f n GLY 154 Ca -0.04 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 3a1f n GLY 154 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a1f n PRO 155 N -0.02 0.55 0.17 1.61 -0.02 -1.26 -4.83 135.00 131.20 3a1f n PRO 155 Ca 0.00 0.19 0.16 0.00 -2.02 0.00 0.00 63.50 61.84 3a1f n PRO 155 Cb 0.00 -1.38 0.76 0.00 -0.02 0.00 0.00 33.50 32.86 3a1f n PRO 155 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3a1f h GLU 156 N 1.19 0.00 0.04 -0.52 9.09 -2.01 -2.32 114.58 120.04 3a1f h GLU 156 Ca -0.35 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.06 3a1f h GLU 156 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 3a1f h GLU 156 CO 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 179.01 179.60 3a1f h ALA 157 N 1.81 -0.05 -0.67 1.06 0.00 -2.01 -2.70 119.26 116.72 3a1f h ALA 157 Ca 0.11 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3a1f h ALA 157 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3a1f h ALA 157 CO -0.00 -0.33 0.46 1.25 0.00 0.00 0.00 179.25 180.63 3a1f h LEU 158 N -0.43 0.19 -0.60 0.00 5.85 -1.77 0.37 115.31 118.91 3a1f h LEU 158 Ca -0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3a1f h LEU 158 Cb 0.40 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3a1f h LEU 158 CO 0.01 0.09 0.22 0.00 -0.34 0.00 0.00 178.44 178.42 3a1f h ALA 159 N 1.68 0.79 0.18 1.25 0.00 -1.29 -0.92 119.26 120.94 3a1f h ALA 159 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a1f h ALA 159 Cb 0.99 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3a1f h ALA 159 CO -0.06 0.43 -0.11 1.05 0.00 0.00 0.00 179.25 180.56 3a1f h GLU 160 N 0.85 -0.27 -0.05 0.00 -0.00 0.02 -0.31 114.58 114.83 3a1f h GLU 160 Ca 0.20 0.02 0.03 0.00 -0.00 0.00 0.00 59.36 59.61 3a1f h GLU 160 Cb 0.24 0.06 -0.04 0.00 -0.00 0.00 0.00 28.75 29.01 3a1f h GLU 160 CO -0.01 -0.18 -0.21 1.15 -0.00 0.00 0.00 179.01 179.76 3a1f h THR 161 N -0.28 0.49 -0.82 -1.06 2.02 -1.15 0.16 112.91 112.28 3a1f h THR 161 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3a1f h THR 161 Cb 0.23 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 3a1f h THR 161 CO 0.02 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.36 3a1f h LEU 162 N -0.31 0.87 0.20 2.58 3.38 -1.05 0.34 115.31 121.31 3a1f h LEU 162 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a1f h LEU 162 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a1f h LEU 162 CO -0.23 0.60 -0.16 0.28 0.09 0.00 0.00 178.44 179.03 3a1f h SER 163 N 1.02 -0.41 -0.05 -0.43 0.02 -0.44 0.25 113.55 113.51 3a1f h SER 163 Ca 0.33 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 3a1f h SER 163 Cb 0.01 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3a1f h SER 163 CO -0.11 -0.25 -0.06 0.11 -1.14 0.00 0.00 176.83 175.38 3a1f h LYS 164 N -0.37 -0.08 -0.53 3.45 6.56 -0.59 -2.00 116.57 123.01 3a1f h LYS 164 Ca -0.01 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3a1f h LYS 164 Cb 0.33 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.98 3a1f h LYS 164 CO -0.01 -0.05 0.34 1.96 -2.06 0.00 0.00 179.45 179.62 3a1f h GLN 165 N -0.08 0.67 -0.25 3.15 1.08 -0.80 0.81 115.11 119.67 3a1f h GLN 165 Ca 0.04 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 3a1f h GLN 165 Cb 0.14 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 3a1f h GLN 165 CO -0.10 0.44 -0.11 0.77 -0.95 0.00 0.00 178.83 178.88 3a1f h SER 166 N 0.69 -0.37 0.34 1.46 0.02 -0.20 -0.27 113.55 115.22 3a1f h SER 166 Ca 0.20 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3a1f h SER 166 Cb -0.04 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3a1f h SER 166 CO -0.07 -0.14 -0.16 0.40 -1.14 0.00 0.00 176.83 175.72 3a1f h ILE 167 N -0.07 0.65 -0.08 3.27 2.04 -1.08 -2.92 117.51 119.32 3a1f h ILE 167 Ca 0.13 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3a1f h ILE 167 Cb 0.27 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3a1f h ILE 167 CO -0.30 0.10 0.14 0.77 0.00 0.00 0.00 178.15 178.86 3a1f h SER 168 N -0.76 0.00 -0.01 1.72 4.64 -0.69 -1.81 113.55 116.64 3a1f h SER 168 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3a1f h SER 168 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3a1f h SER 168 CO 0.08 0.00 -0.25 0.59 -0.87 0.00 0.00 176.83 176.38 3a1f n ASN 169 N -3.45 2.39 -4.85 4.97 4.13 -0.13 -4.95 115.26 113.37 3a1f n ASN 169 Ca -0.01 -1.70 -0.32 0.00 1.68 0.00 0.00 54.58 54.23 3a1f n ASN 169 Cb 0.23 0.24 -0.05 0.00 -1.54 0.00 0.00 39.78 38.67 3a1f n ASN 169 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3a1f s SER 170 N -2.26 6.70 -0.03 6.41 0.01 -0.68 -4.74 113.70 119.11 3a1f s SER 170 Ca 0.23 1.31 0.04 0.00 1.31 0.00 0.00 55.95 58.84 3a1f s SER 170 Cb 0.19 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 3a1f s SER 170 CO 0.45 -0.32 -0.13 -0.70 0.41 0.00 0.00 173.24 172.95 3a1f s GLU 171 N -3.37 1.31 0.00 12.44 2.56 0.10 -4.93 118.70 126.82 3a1f s GLU 171 Ca 0.55 -0.47 0.30 0.00 0.00 0.00 0.00 54.97 55.35 3a1f s GLU 171 Cb -0.10 -1.19 1.48 0.00 2.00 0.00 0.00 34.13 36.32 3a1f s GLU 171 CO 0.22 0.21 2.03 0.43 -0.56 0.00 0.00 175.26 177.59 3a1f n SER 172 N 3.10 0.05 -4.75 -1.70 7.64 -1.26 -4.21 113.62 112.50 3a1f n SER 172 Ca -0.17 -0.18 -0.32 0.00 1.01 0.00 0.00 58.87 59.20 3a1f n SER 172 Cb 0.54 -0.26 0.08 0.00 -1.01 0.00 0.00 64.21 63.56 3a1f n SER 172 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3a1f s GLY 173 N -2.57 2.01 0.51 0.23 0.00 -1.26 -4.88 107.32 101.36 3a1f s GLY 173 Ca 0.28 0.54 0.22 0.00 0.00 0.00 0.00 44.72 45.77 3a1f s GLY 173 CO 0.47 0.91 2.01 -0.56 0.00 0.00 0.00 173.10 175.93 3a1f h PRO 174 N -0.56 0.07 -0.22 2.90 0.13 -2.04 0.22 132.00 132.49 3a1f h PRO 174 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3a1f h PRO 174 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3a1f h PRO 174 CO 0.51 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 178.87 3a1f n ARG 175 N -4.42 1.99 -1.30 0.86 1.74 -1.26 -4.72 116.66 109.56 3a1f n ARG 175 Ca 0.08 -1.89 -0.35 0.00 -0.77 0.00 0.00 57.85 54.92 3a1f n ARG 175 Cb 0.49 -1.38 0.09 0.00 -1.02 0.00 0.00 32.46 30.65 3a1f n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a1f n GLY 176 N 1.07 -0.46 3.81 -0.13 0.00 0.76 -0.59 105.19 109.66 3a1f n GLY 176 Ca 0.14 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3a1f n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1f s VAL 177 N -1.88 4.83 -0.18 1.61 1.01 -1.26 -2.71 120.40 121.82 3a1f s VAL 177 Ca 0.72 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3a1f s VAL 177 Cb -0.33 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3a1f s VAL 177 CO 0.51 0.24 -0.14 -1.00 0.00 0.00 0.00 175.10 174.71 3a1f s HIS 178 N -1.32 2.51 -0.44 5.22 3.76 -0.33 -0.72 115.29 123.97 3a1f s HIS 178 Ca 0.27 -1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 53.49 3a1f s HIS 178 Cb -0.12 -1.73 0.06 0.00 1.11 0.00 0.00 32.58 31.90 3a1f s HIS 178 CO 0.19 -0.75 0.33 -0.06 -0.85 0.00 0.00 174.74 173.61 3a1f s PHE 179 N 1.37 3.26 -0.48 1.40 0.40 -1.26 0.90 117.98 123.57 3a1f s PHE 179 Ca 0.02 -1.00 -0.15 0.00 -0.60 0.00 0.00 56.93 55.20 3a1f s PHE 179 Cb -0.15 -2.96 0.09 0.00 0.51 0.00 0.00 43.02 40.51 3a1f s PHE 179 CO -0.10 -0.76 0.40 0.42 0.70 0.00 0.00 175.22 175.88 3a1f s ILE 180 N 1.60 5.07 -0.17 0.64 -1.09 0.64 -4.45 121.20 123.43 3a1f s ILE 180 Ca 0.04 -1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 3a1f s ILE 180 Cb -0.23 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 3a1f s ILE 180 CO 0.06 -0.65 1.38 0.12 -1.23 0.00 0.00 174.94 174.62 3a1f s PHE 181 N 1.59 2.59 -0.27 3.97 5.36 -1.26 -1.22 117.98 128.73 3a1f s PHE 181 Ca 0.04 0.79 -0.12 0.00 -0.96 0.00 0.00 56.93 56.68 3a1f s PHE 181 Cb -0.26 -3.68 -0.05 0.00 -0.34 0.00 0.00 43.02 38.70 3a1f s PHE 181 CO 0.05 -2.24 0.23 -0.80 -1.46 0.00 0.00 175.22 171.00 3a1f s ASN 182 N 2.56 6.08 0.24 6.13 0.02 0.32 -4.92 114.94 125.35 3a1f s ASN 182 Ca 0.60 0.06 -0.30 0.00 -1.02 0.00 0.00 52.86 52.21 3a1f s ASN 182 Cb -0.24 -2.14 -0.09 0.00 0.02 0.00 0.00 41.25 38.81 3a1f s ASN 182 CO 0.20 -0.07 1.10 -0.75 0.02 0.00 0.00 177.10 177.60 3a1f s LYS 183 N 1.77 4.62 -0.01 -0.60 2.47 -1.26 -4.55 119.74 122.19 3a1f s LYS 183 Ca 0.09 1.77 0.01 0.00 -1.56 0.00 0.00 55.97 56.28 3a1f s LYS 183 Cb -0.16 -3.23 0.01 0.00 -1.46 0.00 0.00 37.83 32.99 3a1f s LYS 183 CO 0.10 0.15 -0.02 -1.21 0.16 0.00 0.00 175.35 174.53 3a1f s GLU 184 N -0.97 0.25 -1.21 4.03 0.41 -1.26 -5.05 118.70 114.90 3a1f s GLU 184 Ca 0.47 -0.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.85 3a1f s GLU 184 Cb -0.31 -0.30 0.19 0.00 -1.78 0.00 0.00 34.13 31.93 3a1f s GLU 184 CO 0.38 0.01 1.45 0.09 -0.49 0.00 0.00 175.26 176.70 3a1f n ASN 185 N 3.31 5.28 0.00 -0.19 3.02 -1.26 -5.06 115.26 120.36 3a1f n ASN 185 Ca -0.16 -3.01 0.13 0.00 -0.03 0.00 0.00 54.58 51.51 3a1f n ASN 185 Cb 0.57 -1.53 0.79 0.00 -0.61 0.00 0.00 39.78 39.00 3a1f n ASN 185 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13