#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5d s LYS 4 N 0.00 1.53 -0.09 1.96 1.02 0.12 -4.99 119.74 119.30 3f5d s LYS 4 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 54.75 3f5d s LYS 4 Cb 0.00 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 3f5d s LYS 4 CO 0.00 0.47 -0.18 0.15 -0.92 0.00 0.00 175.35 174.87 3f5d s LYS 5 N -1.79 2.89 -0.17 1.68 1.02 -1.26 -0.47 119.74 121.64 3f5d s LYS 5 Ca 0.13 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3f5d s LYS 5 Cb -0.10 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3f5d s LYS 5 CO 0.05 0.36 -0.15 0.00 -0.92 0.00 0.00 175.35 174.69 3f5d s ALA 6 N -0.07 2.48 -0.24 5.17 0.00 0.64 -0.74 121.76 129.00 3f5d s ALA 6 Ca -0.04 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 3f5d s ALA 6 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3f5d s ALA 6 CO 0.04 -0.14 0.09 -0.51 0.00 0.00 0.00 175.76 175.24 3f5d s LEU 7 N 0.99 3.64 -0.40 0.00 1.02 0.27 -1.24 118.68 122.97 3f5d s LEU 7 Ca -0.02 -0.09 -0.15 0.00 0.02 0.00 0.00 54.13 53.89 3f5d s LEU 7 Cb -0.15 -1.97 0.01 0.00 0.02 0.00 0.00 46.19 44.11 3f5d s LEU 7 CO -0.03 0.02 0.29 -0.36 0.02 0.00 0.00 176.35 176.29 3f5d s PHE 8 N 1.29 3.24 -0.43 0.29 0.40 0.77 -0.74 117.98 122.80 3f5d s PHE 8 Ca 0.05 -0.52 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 3f5d s PHE 8 Cb -0.15 -2.57 0.02 0.00 0.51 0.00 0.00 43.02 40.83 3f5d s PHE 8 CO 0.04 -0.55 0.89 -1.17 0.70 0.00 0.00 175.22 175.13 3f5d s LEU 9 N 1.70 4.05 -0.03 -0.37 2.96 0.19 -1.32 118.68 125.85 3f5d s LEU 9 Ca 0.05 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 3f5d s LEU 9 Cb -0.19 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 3f5d s LEU 9 CO 0.10 -0.96 -0.22 0.27 -1.32 0.00 0.00 176.35 174.22 3f5d s ILE 10 N 3.56 1.76 0.47 6.68 -4.36 -0.85 -1.77 121.20 126.69 3f5d s ILE 10 Ca 0.36 -0.94 0.05 0.00 -0.26 0.00 0.00 60.65 59.86 3f5d s ILE 10 Cb -0.11 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 3f5d s ILE 10 CO 0.23 0.50 0.20 -0.76 0.24 0.00 0.00 174.94 175.35 3f5d s LEU 11 N -0.38 2.82 0.52 0.37 1.43 -1.26 -4.36 118.68 117.83 3f5d s LEU 11 Ca 0.05 -1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 3f5d s LEU 11 Cb -0.10 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 3f5d s LEU 11 CO 0.00 -0.75 1.40 -0.62 0.23 0.00 0.00 176.35 176.61 3f5d s ASP 12 N -3.99 5.42 -1.16 2.29 2.15 -1.26 -3.06 116.67 117.06 3f5d s ASP 12 Ca 0.31 2.85 -0.01 0.00 0.43 0.00 0.00 52.55 56.14 3f5d s ASP 12 Cb 0.02 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3f5d s ASP 12 CO 0.18 -1.48 0.97 0.00 -0.17 0.00 0.00 175.17 174.67 3f5d n GLN 13 N -0.78 -5.87 -3.20 4.34 1.13 0.42 -3.93 117.38 109.49 3f5d n GLN 13 Ca 0.09 0.84 -0.30 0.00 -1.94 0.00 0.00 57.00 55.68 3f5d n GLN 13 Cb 0.44 -5.80 -0.04 0.00 0.11 0.00 0.00 30.24 24.94 3f5d n GLN 13 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3f5d s TYR 14 N -3.36 3.45 -0.23 1.08 -0.85 -1.07 -1.26 117.35 115.12 3f5d s TYR 14 Ca 0.07 0.89 -0.29 0.00 -0.52 0.00 0.00 57.07 57.22 3f5d s TYR 14 Cb -0.01 -2.30 -0.02 0.00 0.38 0.00 0.00 41.96 40.02 3f5d s TYR 14 CO 0.72 0.11 1.48 0.00 -1.52 0.00 0.00 175.55 176.34 3f5d s ALA 15 N -2.08 3.37 0.19 9.51 0.00 -0.48 -0.79 121.76 131.47 3f5d s ALA 15 Ca 0.48 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3f5d s ALA 15 Cb -0.11 -3.80 0.18 0.00 0.00 0.00 0.00 23.12 19.40 3f5d s ALA 15 CO 0.26 -1.77 1.77 -0.44 0.00 0.00 0.00 175.76 175.58 3f5d h ASP 16 N 9.93 0.32 1.20 0.00 3.32 -1.95 -3.18 116.42 126.07 3f5d h ASP 16 Ca -0.31 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3f5d h ASP 16 Cb 1.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3f5d h ASP 16 CO 1.00 0.22 0.00 -2.67 -1.72 0.00 0.00 179.24 176.07 3f5d n TRP 17 N -4.92 0.83 -0.06 4.55 2.14 -1.26 -4.36 117.44 114.36 3f5d n TRP 17 Ca 0.06 0.27 -0.14 0.00 2.07 0.00 0.00 57.50 59.75 3f5d n TRP 17 Cb 0.18 -0.94 -0.06 0.00 -0.81 0.00 0.00 31.31 29.68 3f5d n TRP 17 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 3f5d h GLU 18 N 0.00 0.58 -0.45 -2.67 5.08 -1.88 -3.37 114.58 111.87 3f5d h GLU 18 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3f5d h GLU 18 Cb 0.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3f5d h GLU 18 CO 0.00 0.98 0.00 0.41 -1.00 0.00 0.00 179.01 179.40 3f5d n GLY 19 N 0.40 2.85 0.24 -3.84 0.00 -1.26 -4.66 105.19 98.93 3f5d n GLY 19 Ca -0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 3f5d n GLY 19 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3f5d h VAL 20 N 2.72 1.22 0.05 1.61 -1.51 -1.77 -0.91 116.25 117.66 3f5d h VAL 20 Ca 0.00 -0.99 -0.26 0.00 -1.23 0.00 0.00 66.70 64.22 3f5d h VAL 20 Cb 0.95 1.22 0.01 0.00 -2.13 0.00 0.00 31.29 31.34 3f5d h VAL 20 CO 0.05 0.31 -1.09 1.88 -1.23 0.00 0.00 177.57 177.49 3f5d h TYR 21 N 0.36 0.79 -0.15 5.19 0.05 -1.86 -2.81 116.97 118.53 3f5d h TYR 21 Ca 0.07 -0.47 -0.11 0.00 0.05 0.00 0.00 58.73 58.27 3f5d h TYR 21 Cb 0.48 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3f5d h TYR 21 CO 0.01 1.31 -0.34 1.25 -1.05 0.00 0.00 178.16 179.34 3f5d h LEU 22 N 0.25 0.56 -0.40 3.88 5.85 -1.86 -2.36 115.31 121.23 3f5d h LEU 22 Ca -0.13 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.03 3f5d h LEU 22 Cb 1.75 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3f5d h LEU 22 CO 0.20 1.03 0.26 0.00 -0.34 0.00 0.00 178.44 179.59 3f5d h ALA 23 N 0.55 0.51 -0.31 1.25 0.00 -1.25 -1.09 119.26 118.92 3f5d h ALA 23 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3f5d h ALA 23 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3f5d h ALA 23 CO 0.08 -0.05 -0.21 0.66 0.00 0.00 0.00 179.25 179.72 3f5d h SER 24 N 0.53 0.73 -0.23 0.00 4.64 -1.56 -0.34 113.55 117.32 3f5d h SER 24 Ca 0.15 -0.44 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 3f5d h SER 24 Cb -0.04 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 3f5d h SER 24 CO -0.05 1.01 0.01 0.00 -0.87 0.00 0.00 176.83 176.94 3f5d h ALA 25 N 0.74 0.21 0.54 5.18 0.00 -1.26 -2.55 119.26 122.12 3f5d h ALA 25 Ca 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3f5d h ALA 25 Cb 0.76 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3f5d h ALA 25 CO 0.06 -0.41 -0.26 -0.07 0.00 0.00 0.00 179.25 178.57 3f5d h LEU 26 N 0.09 -0.61 -2.02 0.00 3.38 -1.19 -3.31 115.31 111.65 3f5d h LEU 26 Ca 0.11 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3f5d h LEU 26 Cb 0.13 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3f5d h LEU 26 CO -0.17 -0.21 0.37 -1.13 0.09 0.00 0.00 178.44 177.39 3f5d h ASN 27 N -1.15 0.00 1.04 -0.43 -1.24 -1.09 0.62 115.58 113.34 3f5d h ASN 27 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3f5d h ASN 27 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 3f5d h ASN 27 CO 0.12 0.00 0.00 1.56 -1.29 0.00 0.00 177.43 177.82 3f5d h GLN 28 N 0.00 0.00 -6.99 6.67 4.20 -1.54 -3.44 115.11 114.01 3f5d h GLN 28 Ca 0.23 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.44 3f5d h GLN 28 Cb 0.97 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.80 3f5d h GLN 28 CO -0.00 0.00 0.47 1.03 -0.67 0.00 0.00 178.83 179.65 3f5d s ARG 29 N -3.62 3.88 0.23 1.46 1.81 0.21 -4.94 118.95 117.98 3f5d s ARG 29 Ca 0.02 1.71 0.07 0.00 -1.72 0.00 0.00 55.73 55.80 3f5d s ARG 29 Cb 0.09 -2.45 0.21 0.00 -0.45 0.00 0.00 34.95 32.35 3f5d s ARG 29 CO 0.53 -0.43 1.53 1.49 -0.68 0.00 0.00 175.30 177.74 3f5d h GLU 30 N 2.19 0.12 -0.09 3.54 4.57 -1.86 -3.12 114.58 119.92 3f5d h GLU 30 Ca -0.49 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3f5d h GLU 30 Cb 1.24 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3f5d h GLU 30 CO 0.61 0.76 0.00 -0.40 -1.18 0.00 0.00 179.01 178.80 3f5d n ASP 31 N -3.77 1.38 -4.13 1.04 5.75 -1.26 -4.88 116.55 110.67 3f5d n ASP 31 Ca -0.02 -1.58 -0.21 0.00 -0.01 0.00 0.00 54.79 52.97 3f5d n ASP 31 Cb 0.67 -0.06 -0.14 0.00 -1.03 0.00 0.00 41.12 40.57 3f5d n ASP 31 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3f5d s TRP 32 N -1.89 1.25 -0.03 2.11 0.52 -1.18 0.13 118.94 119.85 3f5d s TRP 32 Ca 0.35 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.20 3f5d s TRP 32 Cb 0.18 -0.76 -0.00 0.00 -1.15 0.00 0.00 33.47 31.74 3f5d s TRP 32 CO 0.29 0.02 -0.15 -1.12 0.02 0.00 0.00 176.95 176.01 3f5d s SER 33 N -0.82 1.82 -0.14 2.95 0.01 0.39 -4.55 113.70 113.36 3f5d s SER 33 Ca 0.03 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 3f5d s SER 33 Cb -0.07 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 3f5d s SER 33 CO 0.01 0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 173.00 3f5d s VAL 34 N -0.04 3.27 0.05 3.43 1.01 -1.26 -0.26 120.40 126.60 3f5d s VAL 34 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3f5d s VAL 34 Cb -0.09 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3f5d s VAL 34 CO 0.01 0.52 -0.06 -1.00 0.00 0.00 0.00 175.10 174.56 3f5d s HIS 35 N 0.34 0.63 0.08 5.22 3.76 -0.37 -4.98 115.29 119.96 3f5d s HIS 35 Ca -0.09 -0.63 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 3f5d s HIS 35 Cb -0.15 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 3f5d s HIS 35 CO 0.05 -0.14 0.11 0.95 -0.85 0.00 0.00 174.74 174.86 3f5d s THR 36 N -2.05 4.72 0.00 1.30 -4.23 -1.26 -0.17 115.64 113.96 3f5d s THR 36 Ca -0.05 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3f5d s THR 36 Cb -0.05 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 3f5d s THR 36 CO -0.02 0.13 -0.01 0.54 -0.54 0.00 0.00 174.62 174.72 3f5d s VAL 37 N -1.42 0.04 0.33 2.29 0.11 -0.43 -1.18 120.40 120.16 3f5d s VAL 37 Ca 0.31 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.08 3f5d s VAL 37 Cb -0.12 -0.07 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 3f5d s VAL 37 CO 0.23 -0.07 0.64 -0.24 -3.33 0.00 0.00 175.10 172.33 3f5d n SER 38 N 2.83 -1.86 0.11 3.54 2.88 -0.65 -2.01 113.62 118.45 3f5d n SER 38 Ca -0.14 -2.41 0.10 0.00 -1.33 0.00 0.00 58.87 55.09 3f5d n SER 38 Cb 0.59 3.13 0.00 0.00 -0.75 0.00 0.00 64.21 67.18 3f5d n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3f5d h LEU 39 N 0.00 0.00 -9.06 2.46 3.38 -1.87 0.14 115.31 110.35 3f5d h LEU 39 Ca -0.28 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.02 3f5d h LEU 39 Cb 1.06 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 3f5d h LEU 39 CO 0.36 0.08 -0.81 -1.81 0.09 0.00 0.00 178.44 176.35 3f5d s ASP 40 N -5.51 3.65 0.44 -0.43 1.01 -1.26 -4.79 116.67 109.77 3f5d s ASP 40 Ca -0.00 -0.71 0.29 0.00 0.71 0.00 0.00 52.55 52.84 3f5d s ASP 40 Cb 0.09 -0.39 1.10 0.00 1.01 0.00 0.00 42.92 44.73 3f5d s ASP 40 CO 0.78 0.15 1.85 1.55 0.21 0.00 0.00 175.17 179.71 3f5d h PRO 41 N 3.47 0.00 -2.98 8.23 0.13 -1.92 -3.43 132.00 135.51 3f5d h PRO 41 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 3f5d h PRO 41 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 3f5d h PRO 41 CO 0.46 0.00 -0.62 0.42 -0.23 0.00 0.00 178.00 178.03 3f5d s ILE 42 N -3.48 -0.29 0.05 -3.56 1.01 -1.26 -1.27 121.20 112.41 3f5d s ILE 42 Ca 0.03 0.26 0.08 0.00 0.00 0.00 0.00 60.65 61.03 3f5d s ILE 42 Cb 0.09 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 3f5d s ILE 42 CO 0.52 0.08 -0.23 0.68 0.00 0.00 0.00 174.94 176.00 3f5d s VAL 43 N 2.31 1.82 -0.03 2.92 -7.23 -0.85 -4.93 120.40 114.41 3f5d s VAL 43 Ca 0.03 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 3f5d s VAL 43 Cb -0.13 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 3f5d s VAL 43 CO -0.07 0.23 0.28 -0.44 -0.31 0.00 0.00 175.10 174.78 3f5d s SER 44 N -1.27 6.56 0.53 4.85 0.01 -1.26 -0.45 113.70 122.66 3f5d s SER 44 Ca 0.09 0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.97 3f5d s SER 44 Cb -0.09 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 3f5d s SER 44 CO 0.02 0.32 0.81 -0.94 0.41 0.00 0.00 173.24 173.86 3f5d s SER 45 N -1.33 5.84 0.49 2.44 1.04 0.57 0.16 113.70 122.90 3f5d s SER 45 Ca 0.23 0.67 0.14 0.00 0.48 0.00 0.00 55.95 57.47 3f5d s SER 45 Cb -0.14 -1.82 1.15 0.00 0.10 0.00 0.00 66.02 65.32 3f5d s SER 45 CO 0.12 -0.84 2.10 0.40 0.98 0.00 0.00 173.24 176.00 3f5d h ILE 46 N 0.08 1.04 0.00 -1.02 2.04 -1.19 -1.39 117.51 117.06 3f5d h ILE 46 Ca -0.46 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3f5d h ILE 46 Cb 1.24 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3f5d h ILE 46 CO 0.60 0.05 0.00 0.61 0.00 0.00 0.00 178.15 179.41 3f5d n GLY 47 N -1.42 -1.20 0.00 5.37 0.00 -1.26 -4.88 105.19 101.80 3f5d n GLY 47 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3f5d n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f5d n GLY 48 N 0.38 0.83 3.83 -0.02 0.00 -0.52 -5.09 105.19 104.59 3f5d n GLY 48 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3f5d n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f5d s PHE 49 N -2.00 3.55 -0.22 1.61 0.40 -1.26 -4.83 117.98 115.23 3f5d s PHE 49 Ca 0.00 1.29 -0.04 0.00 -0.60 0.00 0.00 56.93 57.58 3f5d s PHE 49 Cb 0.00 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 3f5d s PHE 49 CO 0.00 0.26 -0.03 0.15 0.70 0.00 0.00 175.22 176.30 3f5d s LYS 50 N -2.34 3.43 -0.19 0.44 1.02 -1.26 -0.32 119.74 120.52 3f5d s LYS 50 Ca 0.46 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 3f5d s LYS 50 Cb -0.14 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 3f5d s LYS 50 CO 0.20 -0.16 0.09 0.99 -0.92 0.00 0.00 175.35 175.55 3f5d s THR 51 N 1.39 5.02 -0.61 2.17 2.01 0.41 -4.95 115.64 121.08 3f5d s THR 51 Ca 0.05 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 3f5d s THR 51 Cb -0.14 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.14 3f5d s THR 51 CO -0.02 0.44 0.94 -0.55 -0.69 0.00 0.00 174.62 174.74 3f5d s SER 52 N 0.43 6.23 0.35 3.53 0.15 -1.26 -2.01 113.70 121.12 3f5d s SER 52 Ca 0.05 -0.76 -0.28 0.00 0.70 0.00 0.00 55.95 55.66 3f5d s SER 52 Cb -0.12 -2.42 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 3f5d s SER 52 CO -0.00 -1.33 1.40 -0.69 1.20 0.00 0.00 173.24 173.81 3f5d s VAL 53 N 3.94 2.38 -0.08 4.45 1.01 -0.39 -4.97 120.40 126.74 3f5d s VAL 53 Ca 0.25 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.34 3f5d s VAL 53 Cb -0.15 -3.25 -0.23 0.00 0.00 0.00 0.00 36.38 32.75 3f5d s VAL 53 CO 0.13 0.09 1.03 0.44 0.00 0.00 0.00 175.10 176.80 3f5d h ASP 54 N 3.19 0.01 -3.94 3.32 3.32 -1.81 -3.46 116.42 117.04 3f5d h ASP 54 Ca -0.50 -0.73 -0.64 0.00 0.02 0.00 0.00 57.03 55.18 3f5d h ASP 54 Cb 1.23 -0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 3f5d h ASP 54 CO 0.65 0.74 -0.87 -0.31 -1.72 0.00 0.00 179.24 177.73 3f5d s TYR 55 N -3.28 2.16 0.04 4.55 2.02 -0.32 -5.02 117.35 117.50 3f5d s TYR 55 Ca -0.17 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 55.72 3f5d s TYR 55 Cb -0.01 -1.43 -0.06 0.00 -0.40 0.00 0.00 41.96 40.06 3f5d s TYR 55 CO 0.68 -0.21 0.46 0.42 -1.57 0.00 0.00 175.55 175.33 3f5d s ILE 56 N -0.06 4.95 0.02 2.71 -1.09 -1.26 -1.64 121.20 124.83 3f5d s ILE 56 Ca -0.04 0.89 -0.34 0.00 -2.23 0.00 0.00 60.65 58.93 3f5d s ILE 56 Cb -0.13 -3.75 -0.12 0.00 -1.58 0.00 0.00 42.46 36.88 3f5d s ILE 56 CO 0.03 0.52 1.78 -0.38 -1.23 0.00 0.00 174.94 175.66 3f5d n ILE 57 N 1.62 0.37 0.00 2.92 5.41 0.04 -0.10 119.36 129.62 3f5d n ILE 57 Ca -0.12 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3f5d n ILE 57 Cb 0.52 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3f5d n ILE 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3f5d n GLY 58 N 4.06 0.90 0.00 7.39 0.00 -1.26 -4.88 105.19 111.40 3f5d n GLY 58 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3f5d n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f5d n LEU 59 N 0.00 1.07 -4.91 0.99 4.77 0.86 -5.07 117.00 114.72 3f5d n LEU 59 Ca 0.00 -1.07 -0.27 0.00 -0.03 0.00 0.00 56.01 54.64 3f5d n LEU 59 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3f5d n LEU 59 CO 0.00 0.27 0.39 -1.83 -1.33 0.00 0.00 177.39 174.89 3f5d s GLU 60 N -0.37 3.55 0.34 3.23 1.03 -1.21 -4.74 118.70 120.54 3f5d s GLU 60 Ca 0.00 0.12 -0.29 0.00 0.03 0.00 0.00 54.97 54.83 3f5d s GLU 60 Cb 0.00 -2.43 -0.12 0.00 -0.80 0.00 0.00 34.13 30.78 3f5d s GLU 60 CO 0.00 -0.12 1.47 -0.35 -1.33 0.00 0.00 175.26 174.93 3f5d n PRO 61 N -2.08 2.55 -0.27 -4.83 -0.04 -1.26 -4.89 135.00 124.19 3f5d n PRO 61 Ca -0.00 0.90 0.06 0.00 -0.04 0.00 0.00 63.50 64.41 3f5d n PRO 61 Cb 0.55 -2.61 0.29 0.00 -0.04 0.00 0.00 33.50 31.69 3f5d n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f5d h ALA 62 N 3.37 1.60 -3.74 0.55 0.00 -2.01 -3.42 119.26 115.62 3f5d h ALA 62 Ca -0.49 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.01 3f5d h ALA 62 Cb 1.25 -0.23 -0.31 0.00 0.00 0.00 0.00 17.79 18.50 3f5d h ALA 62 CO 0.68 0.25 -0.77 0.54 0.00 0.00 0.00 179.25 179.95 3f5d s ASN 63 N -6.02 0.95 0.28 0.00 2.20 -1.26 -5.06 114.94 106.03 3f5d s ASN 63 Ca -0.11 -0.14 -0.02 0.00 -0.94 0.00 0.00 52.86 51.65 3f5d s ASN 63 Cb 0.20 -0.28 -0.02 0.00 -2.00 0.00 0.00 41.25 39.15 3f5d s ASN 63 CO 0.79 0.03 0.32 0.72 -2.94 0.00 0.00 177.10 176.02 3f5d s PHE 64 N 0.31 1.13 -0.11 1.54 -0.12 -1.26 -5.00 117.98 114.47 3f5d s PHE 64 Ca -0.04 -1.30 0.22 0.00 -0.05 0.00 0.00 56.93 55.76 3f5d s PHE 64 Cb -0.09 -0.33 -0.20 0.00 -0.63 0.00 0.00 43.02 41.78 3f5d s PHE 64 CO 0.00 -0.89 0.71 0.09 -0.05 0.00 0.00 175.22 175.08 3f5d n ASN 65 N -0.90 0.35 -3.74 1.98 3.02 0.08 -4.95 115.26 111.11 3f5d n ASN 65 Ca 0.02 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.59 3f5d n ASN 65 Cb 0.63 1.36 -0.11 0.00 -0.61 0.00 0.00 39.78 41.05 3f5d n ASN 65 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3f5d s LEU 66 N -4.87 0.47 -0.25 3.41 2.96 -0.70 -4.03 118.68 115.67 3f5d s LEU 66 Ca -0.05 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3f5d s LEU 66 Cb 0.12 1.10 0.03 0.00 0.50 0.00 0.00 46.19 47.93 3f5d s LEU 66 CO 0.86 -0.14 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.47 3f5d s LEU 67 N 0.71 3.22 0.00 -0.68 2.96 -0.88 -0.57 118.68 123.44 3f5d s LEU 67 Ca -0.04 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 3f5d s LEU 67 Cb -0.06 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3f5d s LEU 67 CO -0.05 -0.13 0.19 0.52 -1.32 0.00 0.00 176.35 175.56 3f5d n VAL 68 N 4.66 0.00 -3.53 1.68 0.31 0.08 -1.18 118.33 120.35 3f5d n VAL 68 Ca -0.16 -1.32 -0.13 0.00 -0.01 0.00 0.00 64.34 62.72 3f5d n VAL 68 Cb 0.47 -0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 33.23 3f5d n VAL 68 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3f5d s ILE 70 N -1.71 0.00 1.01 2.52 2.07 -0.73 0.53 121.20 124.89 3f5d s ILE 70 Ca 0.15 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.22 3f5d s ILE 70 Cb -0.01 -1.00 0.25 0.00 0.13 0.00 0.00 42.46 41.83 3f5d s ILE 70 CO 0.09 0.00 0.95 0.61 -1.91 0.00 0.00 174.94 174.68 3f5d n GLY 71 N 0.49 -2.55 0.00 1.50 0.00 -1.05 -4.39 105.19 99.20 3f5d n GLY 71 Ca -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3f5d n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f5d n GLY 72 N -3.46 -0.86 1.59 -0.02 0.00 -1.26 -1.39 105.19 99.79 3f5d n GLY 72 Ca 0.13 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.75 3f5d n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f5d n ASP 73 N 3.00 4.74 -0.11 1.61 8.00 -0.39 -4.41 116.55 128.99 3f5d n ASP 73 Ca 0.00 -2.58 0.09 0.00 0.71 0.00 0.00 54.79 53.02 3f5d n ASP 73 Cb 0.00 -0.60 0.14 0.00 -0.02 0.00 0.00 41.12 40.64 3f5d n ASP 73 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3f5d n SER 74 N 0.84 2.40 0.00 -2.24 7.64 -1.25 -4.77 113.62 116.24 3f5d n SER 74 Ca 0.24 -3.01 0.14 0.00 1.01 0.00 0.00 58.87 57.25 3f5d n SER 74 Cb 0.94 -0.41 0.72 0.00 -1.01 0.00 0.00 64.21 64.44 3f5d n SER 74 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3f5d n TRP 75 N -1.33 0.00 -2.05 1.43 7.02 -1.26 -4.11 117.44 117.14 3f5d n TRP 75 Ca 0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.21 3f5d n TRP 75 Cb 0.63 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 3f5d n TRP 75 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3f5d n SER 76 N -1.28 4.38 -4.14 -0.99 7.64 -1.26 -4.65 113.62 113.31 3f5d n SER 76 Ca 0.14 -2.93 -0.32 0.00 1.01 0.00 0.00 58.87 56.77 3f5d n SER 76 Cb 0.22 -1.62 -0.16 0.00 -1.01 0.00 0.00 64.21 61.64 3f5d n SER 76 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3f5d s ASN 77 N 2.71 2.98 0.00 6.43 3.84 -1.26 -4.99 114.94 124.66 3f5d s ASN 77 Ca 0.46 -0.57 0.28 0.00 0.21 0.00 0.00 52.86 53.24 3f5d s ASN 77 Cb 0.11 -1.38 1.12 0.00 -0.55 0.00 0.00 41.25 40.55 3f5d s ASN 77 CO -0.04 0.06 1.78 0.47 -2.79 0.00 0.00 177.10 176.58 3f5d n ASP 78 N 4.15 1.36 -4.57 -4.21 8.00 -1.26 -4.94 116.55 115.07 3f5d n ASP 78 Ca -0.20 -1.46 -0.58 0.00 0.71 0.00 0.00 54.79 53.27 3f5d n ASP 78 Cb 0.51 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 3f5d n ASP 78 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3f5d n ASN 79 N 0.07 1.90 0.17 -2.24 5.15 -1.26 -4.84 115.26 114.22 3f5d n ASN 79 Ca 0.19 0.86 0.02 0.00 -0.60 0.00 0.00 54.58 55.06 3f5d n ASN 79 Cb 0.33 -1.09 0.31 0.00 -0.53 0.00 0.00 39.78 38.80 3f5d n ASN 79 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 3f5d h LYS 80 N 8.48 0.00 -0.23 1.20 5.09 -1.99 -2.17 116.57 126.95 3f5d h LYS 80 Ca -0.35 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.36 3f5d h LYS 80 Cb 1.34 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.66 3f5d h LYS 80 CO 1.00 0.43 0.02 0.87 -2.09 0.00 0.00 179.45 179.69 3f5d h LYS 81 N 0.00 0.39 0.02 0.07 1.79 -1.99 -1.43 116.57 115.42 3f5d h LYS 81 Ca -0.00 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3f5d h LYS 81 Cb 0.78 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 3f5d h LYS 81 CO 0.06 0.55 -0.10 1.25 -1.08 0.00 0.00 179.45 180.12 3f5d h LEU 82 N 0.18 -0.30 -0.20 2.94 5.85 -1.89 -0.70 115.31 121.20 3f5d h LEU 82 Ca 0.07 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3f5d h LEU 82 Cb 0.36 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3f5d h LEU 82 CO 0.01 -0.15 0.03 0.25 -0.34 0.00 0.00 178.44 178.24 3f5d h LEU 83 N -0.19 -0.00 -0.32 2.25 5.85 -1.34 -1.60 115.31 119.96 3f5d h LEU 83 Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3f5d h LEU 83 Cb 0.23 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3f5d h LEU 83 CO -0.09 0.03 0.08 -0.74 -0.34 0.00 0.00 178.44 177.37 3f5d h HIS 84 N 0.11 0.14 -0.04 1.25 2.76 -1.05 0.16 115.15 118.48 3f5d h HIS 84 Ca 0.09 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.31 3f5d h HIS 84 Cb 0.09 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3f5d h HIS 84 CO -0.15 0.04 -0.29 0.35 -1.30 0.00 0.00 177.93 176.58 3f5d h PHE 85 N 0.20 -0.79 -0.03 5.26 3.57 -0.71 0.63 116.94 125.07 3f5d h PHE 85 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3f5d h PHE 85 Cb 0.15 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3f5d h PHE 85 CO -0.16 -0.38 -0.00 -0.39 -2.23 0.00 0.00 178.31 175.14 3f5d h VAL 86 N -0.42 1.28 -0.82 1.41 -1.51 -1.05 -2.74 116.25 112.40 3f5d h VAL 86 Ca 0.07 -0.85 0.09 0.00 -1.23 0.00 0.00 66.70 64.79 3f5d h VAL 86 Cb 0.52 1.79 -0.06 0.00 -2.13 0.00 0.00 31.29 31.42 3f5d h VAL 86 CO -0.27 0.23 0.53 0.50 -1.23 0.00 0.00 177.57 177.32 3f5d h LYS 87 N -0.28 0.76 -0.57 5.19 3.64 -0.60 0.29 116.57 125.00 3f5d h LYS 87 Ca 0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3f5d h LYS 87 Cb 0.37 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3f5d h LYS 87 CO 0.00 0.50 0.03 1.15 -2.27 0.00 0.00 179.45 178.86 3f5d h THR 88 N 0.78 1.26 -0.93 1.00 2.02 -0.80 -1.73 112.91 114.51 3f5d h THR 88 Ca 0.37 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3f5d h THR 88 Cb 0.41 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3f5d h THR 88 CO -0.14 0.39 0.59 0.00 0.37 0.00 0.00 175.52 176.73 3f5d h ALA 89 N 1.13 1.29 -0.38 6.16 0.00 -0.66 -0.91 119.26 125.90 3f5d h ALA 89 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3f5d h ALA 89 Cb 0.49 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3f5d h ALA 89 CO 0.02 0.64 0.09 0.74 0.00 0.00 0.00 179.25 180.74 3f5d h PHE 90 N 1.27 0.63 -0.63 0.00 0.04 -0.88 -2.35 116.94 115.02 3f5d h PHE 90 Ca 0.34 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 61.04 3f5d h PHE 90 Cb -0.11 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 3f5d h PHE 90 CO 0.00 0.62 0.41 1.96 -0.60 0.00 0.00 178.31 180.71 3f5d h GLN 91 N 0.46 0.81 0.00 1.51 4.20 -0.71 0.12 115.11 121.50 3f5d h GLN 91 Ca 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3f5d h GLN 91 Cb 0.31 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3f5d h GLN 91 CO 0.00 0.54 0.00 1.63 -0.67 0.00 0.00 178.83 180.33 3f5d n LYS 92 N -4.66 0.41 -3.46 1.46 5.02 -0.40 -4.87 118.16 111.65 3f5d n LYS 92 Ca 0.05 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.15 3f5d n LYS 92 Cb 0.03 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.58 3f5d n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3f5d n ASN 93 N -1.15 -5.40 -4.82 4.39 5.15 0.42 -4.98 115.26 108.86 3f5d n ASN 93 Ca 0.11 -0.50 -0.35 0.00 -0.60 0.00 0.00 54.58 53.25 3f5d n ASN 93 Cb 0.11 -4.33 -0.06 0.00 -0.53 0.00 0.00 39.78 34.96 3f5d n ASN 93 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3f5d s ILE 94 N -3.20 4.51 0.18 -1.44 -4.36 -0.93 -4.97 121.20 110.99 3f5d s ILE 94 Ca 0.49 1.31 -0.33 0.00 -0.26 0.00 0.00 60.65 61.86 3f5d s ILE 94 Cb -0.23 -3.77 -0.15 0.00 1.25 0.00 0.00 42.46 39.56 3f5d s ILE 94 CO 0.60 0.00 1.39 -2.65 0.24 0.00 0.00 174.94 174.52 3f5d n PRO 95 N 0.17 1.71 -4.47 0.37 -0.02 -1.26 -4.80 135.00 126.70 3f5d n PRO 95 Ca 0.02 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 3f5d n PRO 95 Cb 0.52 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 3f5d n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3f5d s ILE 96 N 0.26 0.88 -0.09 4.25 1.01 0.31 -2.07 121.20 125.74 3f5d s ILE 96 Ca 0.75 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3f5d s ILE 96 Cb -0.76 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 40.98 3f5d s ILE 96 CO 0.47 0.26 -0.08 0.00 0.00 0.00 0.00 174.94 175.58 3f5d s ALA 97 N -0.06 1.20 -0.02 9.38 0.00 -0.33 -1.02 121.76 130.90 3f5d s ALA 97 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3f5d s ALA 97 Cb -0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3f5d s ALA 97 CO 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 175.76 175.35 3f5d s ALA 98 N 1.34 1.59 0.04 0.00 0.00 0.14 -4.29 121.76 120.58 3f5d s ALA 98 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3f5d s ALA 98 Cb -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3f5d s ALA 98 CO -0.04 0.37 -0.08 -1.50 0.00 0.00 0.00 175.76 174.51 3f5d s ILE 99 N -0.36 0.57 0.00 0.00 2.07 -1.26 -2.06 121.20 120.16 3f5d s ILE 99 Ca 0.05 -1.05 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 3f5d s ILE 99 Cb -0.08 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.89 3f5d s ILE 99 CO -0.00 -0.35 0.00 0.00 -1.91 0.00 0.00 174.94 172.68 3f5d h GLY 101 N 0.00 0.32 0.47 0.00 0.00 -1.89 -2.12 103.07 99.85 3f5d h GLY 101 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.35 3f5d h GLY 101 CO 0.00 0.05 0.53 0.00 0.00 0.00 0.00 176.54 177.11 3f5d h ALA 102 N 1.73 1.31 -0.11 3.60 0.00 -1.59 -0.84 119.26 123.37 3f5d h ALA 102 Ca 0.25 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3f5d h ALA 102 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3f5d h ALA 102 CO -0.05 0.12 -0.22 -0.24 0.00 0.00 0.00 179.25 178.86 3f5d h VAL 103 N 0.84 1.21 -0.69 0.00 3.04 -1.52 -1.41 116.25 117.73 3f5d h VAL 103 Ca 0.44 -0.99 0.01 0.00 -1.01 0.00 0.00 66.70 65.16 3f5d h VAL 103 Cb 0.44 1.38 -0.04 0.00 -2.01 0.00 0.00 31.29 31.07 3f5d h VAL 103 CO -0.27 0.30 0.46 0.44 -1.01 0.00 0.00 177.57 177.49 3f5d h ASP 104 N 0.18 0.77 -0.29 3.17 3.32 -1.22 0.42 116.42 122.77 3f5d h ASP 104 Ca 0.03 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3f5d h ASP 104 Cb 0.50 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3f5d h ASP 104 CO 0.03 0.55 0.07 0.15 -1.72 0.00 0.00 179.24 178.32 3f5d h PHE 105 N 0.91 0.49 -0.37 4.55 3.57 -1.05 -1.95 116.94 123.08 3f5d h PHE 105 Ca 0.26 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3f5d h PHE 105 Cb -0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3f5d h PHE 105 CO -0.00 0.54 0.25 -0.07 -2.23 0.00 0.00 178.31 176.79 3f5d h LEU 106 N 0.30 0.42 -0.23 0.59 3.38 -0.65 -2.50 115.31 116.62 3f5d h LEU 106 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3f5d h LEU 106 Cb 0.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3f5d h LEU 106 CO 0.00 0.31 0.11 0.00 0.09 0.00 0.00 178.44 178.95 3f5d h ALA 107 N 1.14 0.28 0.00 1.53 0.00 -0.84 0.14 119.26 121.51 3f5d h ALA 107 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3f5d h ALA 107 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3f5d h ALA 107 CO -0.03 -0.29 -0.23 -0.22 0.00 0.00 0.00 179.25 178.48 3f5d h LYS 108 N 0.25 0.00 -0.79 0.00 3.64 -1.24 -2.79 116.57 115.63 3f5d h LYS 108 Ca 0.10 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.13 3f5d h LYS 108 Cb 0.03 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.64 3f5d h LYS 108 CO -0.07 0.23 0.40 0.09 -2.27 0.00 0.00 179.45 177.83 3f5d n ASN 109 N -3.86 3.97 -1.85 4.20 4.13 -0.95 -4.29 115.26 116.60 3f5d n ASN 109 Ca -0.02 -3.48 -0.19 0.00 1.68 0.00 0.00 54.58 52.58 3f5d n ASN 109 Cb 0.32 -0.77 -0.05 0.00 -1.54 0.00 0.00 39.78 37.74 3f5d n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f5d n GLY 110 N -0.77 0.98 0.48 7.41 0.00 -1.05 -4.88 105.19 107.36 3f5d n GLY 110 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.64 3f5d n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f5d n LEU 111 N -2.49 1.50 -0.51 0.99 4.77 0.02 -3.76 117.00 117.52 3f5d n LEU 111 Ca -0.20 -0.53 0.05 0.00 -0.03 0.00 0.00 56.01 55.31 3f5d n LEU 111 Cb 0.63 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.79 3f5d n LEU 111 CO 0.27 0.26 0.52 0.18 -1.33 0.00 0.00 177.39 177.30 3f5d n LEU 112 N 0.18 2.37 0.05 2.23 4.77 -1.24 -4.67 117.00 120.68 3f5d n LEU 112 Ca 0.19 -1.50 0.09 0.00 -0.03 0.00 0.00 56.01 54.76 3f5d n LEU 112 Cb 0.34 -0.11 0.40 0.00 -2.33 0.00 0.00 43.42 41.72 3f5d n LEU 112 CO 0.16 0.54 0.79 0.59 -1.33 0.00 0.00 177.39 178.14 3f5d n ASN 113 N 0.52 0.26 -0.23 -1.43 3.02 -1.25 -3.46 115.26 112.70 3f5d n ASN 113 Ca 0.09 0.56 0.06 0.00 -0.03 0.00 0.00 54.58 55.26 3f5d n ASN 113 Cb 0.34 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 38.98 3f5d n ASN 113 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3f5d n ASN 114 N -1.78 1.48 -3.95 6.41 3.02 -1.26 -1.34 115.26 117.83 3f5d n ASN 114 Ca 0.03 -2.69 -0.10 0.00 -0.03 0.00 0.00 54.58 51.80 3f5d n ASN 114 Cb 0.21 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.93 3f5d n ASN 114 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3f5d s HIS 115 N -1.81 0.20 0.60 3.10 3.76 -1.22 -4.95 115.29 114.97 3f5d s HIS 115 Ca 0.20 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.53 3f5d s HIS 115 Cb 0.18 -0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.68 3f5d s HIS 115 CO 0.02 -0.19 1.06 -1.12 -0.85 0.00 0.00 174.74 173.65 3f5d s SER 116 N -1.35 5.71 0.18 1.40 0.01 -1.26 -4.59 113.70 113.80 3f5d s SER 116 Ca -0.15 1.82 -0.22 0.00 1.31 0.00 0.00 55.95 58.71 3f5d s SER 116 Cb -0.09 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.69 3f5d s SER 116 CO -0.01 -1.21 1.04 -1.38 0.41 0.00 0.00 173.24 172.09 3f5d s HIS 117 N -2.48 0.07 0.33 2.43 -3.43 -1.26 -4.58 115.29 106.37 3f5d s HIS 117 Ca 0.63 -0.46 -0.05 0.00 -0.80 0.00 0.00 55.06 54.38 3f5d s HIS 117 Cb -0.16 0.70 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 3f5d s HIS 117 CO 0.38 -0.91 0.49 -0.08 -2.00 0.00 0.00 174.74 172.62 3f5d s THR 118 N -2.17 0.00 0.00 -5.38 -1.32 -1.26 0.36 115.64 105.86 3f5d s THR 118 Ca 0.22 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 3f5d s THR 118 Cb -0.03 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3f5d s THR 118 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3f5d n GLY 119 N -0.52 1.39 0.31 6.08 0.00 -1.26 -4.27 105.19 106.92 3f5d n GLY 119 Ca -0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 3f5d n GLY 119 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f5d h ASN 120 N 0.00 -0.64 -2.54 1.61 -0.26 -1.82 -3.39 115.58 108.53 3f5d h ASN 120 Ca 0.00 0.02 -0.21 0.00 -0.56 0.00 0.00 56.30 55.55 3f5d h ASN 120 Cb 0.00 0.17 -0.32 0.00 -1.06 0.00 0.00 38.32 37.11 3f5d h ASN 120 CO 0.00 -0.31 -0.52 -0.36 -1.06 0.00 0.00 177.43 175.18 3f5d s PHE 121 N -4.11 -0.52 0.46 1.19 0.08 -1.26 -5.02 117.98 108.80 3f5d s PHE 121 Ca -0.11 0.85 0.17 0.00 0.12 0.00 0.00 56.93 57.95 3f5d s PHE 121 Cb 0.01 -0.05 1.12 0.00 -0.57 0.00 0.00 43.02 43.53 3f5d s PHE 121 CO 0.33 -0.50 2.03 -0.24 -0.10 0.00 0.00 175.22 176.74 3f5d h VAL 122 N 6.26 1.03 -0.04 -0.44 3.04 -2.00 -2.62 116.25 121.48 3f5d h VAL 122 Ca -0.16 -0.50 0.01 0.00 -1.01 0.00 0.00 66.70 65.04 3f5d h VAL 122 Cb 1.13 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3f5d h VAL 122 CO 0.19 0.14 0.07 1.88 -1.01 0.00 0.00 177.57 178.84 3f5d h TYR 123 N 0.00 0.00 0.00 3.17 -1.99 -2.02 0.17 116.97 116.30 3f5d h TYR 123 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3f5d h TYR 123 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 3f5d h TYR 123 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 178.16 179.41 3f5d h LEU 124 N 0.00 0.00 -1.27 3.88 5.85 -1.91 -2.90 115.31 118.95 3f5d h LEU 124 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3f5d h LEU 124 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3f5d h LEU 124 CO -0.00 0.00 -0.33 0.79 -0.34 0.00 0.00 178.44 178.56 3f5d n TRP 125 N -2.90 0.00 -0.44 1.25 8.01 0.04 -4.61 117.44 118.79 3f5d n TRP 125 Ca 0.01 0.00 0.41 0.00 -1.31 0.00 0.00 57.50 56.61 3f5d n TRP 125 Cb 0.29 0.00 0.77 0.00 -2.01 0.00 0.00 31.31 30.36 3f5d n TRP 125 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3f5d h LYS 126 N 3.07 0.00 -0.39 -0.99 2.10 -1.51 0.11 116.57 118.96 3f5d h LYS 126 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3f5d h LYS 126 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 3f5d h LYS 126 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3f5d n ASP 127 N -4.07 3.05 -4.63 7.07 8.00 -1.26 -4.94 116.55 119.77 3f5d n ASP 127 Ca 0.31 -1.94 -0.43 0.00 0.71 0.00 0.00 54.79 53.44 3f5d n ASP 127 Cb 1.49 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 42.31 3f5d n ASP 127 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3f5d s TYR 128 N -1.03 2.01 0.44 1.24 1.51 0.37 -4.86 117.35 117.04 3f5d s TYR 128 Ca 0.28 0.51 0.40 0.00 -1.01 0.00 0.00 57.07 57.25 3f5d s TYR 128 Cb 0.15 -4.01 2.03 0.00 -0.11 0.00 0.00 41.96 40.02 3f5d s TYR 128 CO 0.20 -3.10 2.22 1.57 -1.11 0.00 0.00 175.55 175.34 3f5d h LYS 129 N 11.08 0.00 -0.23 -0.62 2.10 -1.88 -2.44 116.57 124.58 3f5d h LYS 129 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3f5d h LYS 129 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3f5d h LYS 129 CO 1.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 179.49 3f5d n GLN 130 N -3.07 2.42 -3.14 0.07 6.02 -1.26 -4.74 117.38 113.68 3f5d n GLN 130 Ca -0.02 -2.13 -0.45 0.00 -0.01 0.00 0.00 57.00 54.39 3f5d n GLN 130 Cb 0.16 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 3f5d n GLN 130 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3f5d s TYR 131 N -1.70 3.67 -0.56 1.08 5.04 -0.92 -3.31 117.35 120.65 3f5d s TYR 131 Ca 0.34 -2.06 0.06 0.00 -2.44 0.00 0.00 57.07 52.97 3f5d s TYR 131 Cb 0.21 -4.06 0.21 0.00 0.35 0.00 0.00 41.96 38.68 3f5d s TYR 131 CO 0.31 -1.20 0.56 1.63 -1.34 0.00 0.00 175.55 175.50 3f5d n LYS 132 N 4.70 1.53 -2.22 4.97 4.01 -1.26 -4.93 118.16 124.95 3f5d n LYS 132 Ca 0.25 -4.04 -0.37 0.00 -0.51 0.00 0.00 58.31 53.64 3f5d n LYS 132 Cb 0.44 -1.93 -0.00 0.00 -0.51 0.00 0.00 35.03 33.03 3f5d n LYS 132 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3f5d s PRO 133 N -1.48 3.60 -0.09 1.97 0.04 -1.26 -4.69 135.00 133.08 3f5d s PRO 133 Ca 0.34 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.21 3f5d s PRO 133 Cb 0.08 -2.29 -0.24 0.00 0.04 0.00 0.00 34.50 32.10 3f5d s PRO 133 CO -0.11 -0.68 0.47 0.44 0.04 0.00 0.00 177.00 177.16 3f5d n ILE 134 N -0.75 1.63 -3.89 0.56 -5.35 -0.45 -4.82 119.36 106.29 3f5d n ILE 134 Ca 0.09 -0.75 -0.35 0.00 -0.27 0.00 0.00 62.75 61.47 3f5d n ILE 134 Cb 0.49 -1.20 -0.09 0.00 -1.74 0.00 0.00 39.64 37.10 3f5d n ILE 134 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3f5d s SER 135 N -6.32 5.91 0.77 7.28 0.01 -1.26 -5.09 113.70 115.00 3f5d s SER 135 Ca -0.12 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 3f5d s SER 135 Cb 0.07 -2.01 0.05 0.00 0.21 0.00 0.00 66.02 64.35 3f5d s SER 135 CO 0.80 0.20 1.09 -0.55 0.41 0.00 0.00 173.24 175.19 3f5d s SER 136 N 0.23 4.53 0.11 2.44 0.15 -1.26 -4.78 113.70 115.12 3f5d s SER 136 Ca 0.06 1.82 -0.31 0.00 0.70 0.00 0.00 55.95 58.22 3f5d s SER 136 Cb -0.12 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 3f5d s SER 136 CO -0.00 -2.02 1.35 0.12 1.20 0.00 0.00 173.24 173.88 3f5d s PHE 137 N -2.90 3.28 -0.18 3.44 5.36 -1.26 -4.12 117.98 121.61 3f5d s PHE 137 Ca 0.61 1.04 -0.08 0.00 -0.96 0.00 0.00 56.93 57.54 3f5d s PHE 137 Cb -0.17 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 3f5d s PHE 137 CO 0.56 -2.13 0.08 0.08 -1.46 0.00 0.00 175.22 172.35 3f5d s VAL 138 N 1.03 4.99 -1.26 3.12 1.01 0.16 -4.99 120.40 124.46 3f5d s VAL 138 Ca 0.63 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 3f5d s VAL 138 Cb -0.35 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 32.92 3f5d s VAL 138 CO 0.30 0.47 1.63 -0.62 0.00 0.00 0.00 175.10 176.88 3f5d n GLU 139 N 3.42 3.36 -4.02 2.72 1.02 -1.26 -4.38 120.64 121.50 3f5d n GLU 139 Ca -0.17 -3.61 -0.10 0.00 -0.02 0.00 0.00 57.16 53.27 3f5d n GLU 139 Cb 0.52 -3.12 -0.08 0.00 -0.02 0.00 0.00 31.44 28.74 3f5d n GLU 139 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3f5d s LYS 140 N 1.93 1.07 0.15 3.49 1.02 -1.26 -5.07 119.74 121.07 3f5d s LYS 140 Ca 0.45 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 3f5d s LYS 140 Cb 0.02 0.33 0.05 0.00 -0.52 0.00 0.00 37.83 37.71 3f5d s LYS 140 CO 0.01 -0.36 1.73 1.96 -0.92 0.00 0.00 175.35 177.77 3f5d h GLN 141 N 2.66 0.17 -3.38 1.68 1.08 -1.96 -3.44 115.11 111.91 3f5d h GLN 141 Ca -0.33 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.75 3f5d h GLN 141 Cb 1.22 -0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 28.43 3f5d h GLN 141 CO 0.52 0.11 -0.35 0.00 -0.95 0.00 0.00 178.83 178.16 3f5d s ALA 142 N -6.17 -0.52 0.01 3.87 0.00 -1.26 -2.03 121.76 115.66 3f5d s ALA 142 Ca -0.13 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3f5d s ALA 142 Cb 0.12 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3f5d s ALA 142 CO 0.70 -0.33 -0.04 0.08 0.00 0.00 0.00 175.76 176.18 3f5d s VAL 143 N -2.12 0.26 -0.04 0.00 1.01 -0.22 -5.00 120.40 114.30 3f5d s VAL 143 Ca -0.08 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3f5d s VAL 143 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3f5d s VAL 143 CO -0.01 -0.14 -0.15 -0.60 0.00 0.00 0.00 175.10 174.20 3f5d s ARG 144 N -0.64 1.59 -0.26 2.72 3.52 -1.26 -1.00 118.95 123.62 3f5d s ARG 144 Ca -0.04 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 3f5d s ARG 144 Cb -0.05 -1.40 0.11 0.00 -1.56 0.00 0.00 34.95 32.06 3f5d s ARG 144 CO -0.00 0.20 0.22 0.34 -0.81 0.00 0.00 175.30 175.26 3f5d s ASP 145 N 0.10 2.04 1.95 -2.12 2.15 -0.50 -4.97 116.67 115.32 3f5d s ASP 145 Ca -0.04 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.24 3f5d s ASP 145 Cb -0.11 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 3f5d s ASP 145 CO 0.02 -0.38 0.00 0.29 -0.17 0.00 0.00 175.17 174.93 3f5d n LYS 146 N 5.30 0.00 -1.07 4.34 5.02 -1.26 -2.09 118.16 128.40 3f5d n LYS 146 Ca -0.04 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 3f5d n LYS 146 Cb 0.46 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.66 3f5d n LYS 146 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f5d n ASN 147 N 8.31 3.86 -3.83 4.39 3.02 -1.26 -4.85 115.26 124.90 3f5d n ASN 147 Ca 0.00 -3.37 -0.24 0.00 -0.03 0.00 0.00 54.58 50.94 3f5d n ASN 147 Cb 0.00 -0.79 -0.17 0.00 -0.61 0.00 0.00 39.78 38.21 3f5d n ASN 147 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3f5d s LEU 148 N -2.89 0.88 -0.14 3.41 2.96 -0.89 -0.53 118.68 121.48 3f5d s LEU 148 Ca 0.51 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3f5d s LEU 148 Cb 0.42 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 3f5d s LEU 148 CO 0.10 -0.15 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.13 3f5d s VAL 149 N 1.73 2.65 0.26 1.68 1.01 -0.19 -1.41 120.40 126.13 3f5d s VAL 149 Ca 0.03 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.31 3f5d s VAL 149 Cb -0.13 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3f5d s VAL 149 CO -0.05 0.53 -0.15 0.42 0.00 0.00 0.00 175.10 175.84 3f5d s THR 150 N 0.57 2.12 -0.04 3.92 -4.23 -0.17 0.25 115.64 118.06 3f5d s THR 150 Ca -0.10 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 57.82 3f5d s THR 150 Cb -0.16 -2.27 0.11 0.00 1.34 0.00 0.00 72.50 71.52 3f5d s THR 150 CO 0.04 -0.43 0.94 0.00 -0.54 0.00 0.00 174.62 174.63 3f5d s ALA 151 N -2.73 -1.86 0.54 3.99 0.00 -0.87 -1.05 121.76 119.77 3f5d s ALA 151 Ca 0.28 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 3f5d s ALA 151 Cb -0.02 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.43 3f5d s ALA 151 CO 0.12 -0.67 0.81 0.54 0.00 0.00 0.00 175.76 176.56 3f5d s ASN 152 N -2.42 5.63 0.11 0.00 2.20 -0.86 -1.41 114.94 118.19 3f5d s ASN 152 Ca 0.06 0.48 0.07 0.00 -0.94 0.00 0.00 52.86 52.53 3f5d s ASN 152 Cb -0.01 -1.55 0.39 0.00 -2.00 0.00 0.00 41.25 38.08 3f5d s ASN 152 CO -0.08 -0.95 1.20 0.61 -2.94 0.00 0.00 177.10 174.94 3f5d n GLY 153 N -2.38 -0.60 1.14 0.45 0.00 -1.26 -2.06 105.19 100.48 3f5d n GLY 153 Ca 0.04 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3f5d n GLY 153 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f5d n THR 154 N -1.74 0.68 -2.36 2.61 -2.24 -1.26 -4.58 114.28 105.39 3f5d n THR 154 Ca -0.00 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 3f5d n THR 154 Cb 0.04 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.93 3f5d n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f5d n ALA 155 N 1.37 5.29 -0.19 6.98 0.00 -0.87 -4.85 120.51 128.24 3f5d n ALA 155 Ca 0.21 -4.26 -0.02 0.00 0.00 0.00 0.00 53.44 49.37 3f5d n ALA 155 Cb 0.56 -0.75 0.08 0.00 0.00 0.00 0.00 19.45 19.34 3f5d n ALA 155 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3f5d h PRO 156 N 2.61 0.43 -0.24 0.00 0.13 -1.82 0.16 132.00 133.27 3f5d h PRO 156 Ca 0.35 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.40 3f5d h PRO 156 Cb 0.82 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3f5d h PRO 156 CO 0.94 0.29 -0.05 0.82 -0.23 0.00 0.00 178.00 179.76 3f5d h ILE 157 N 0.45 1.28 -0.57 -3.56 2.04 -1.88 0.45 117.51 115.72 3f5d h ILE 157 Ca 0.27 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 3f5d h ILE 157 Cb 0.27 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3f5d h ILE 157 CO -0.24 0.33 0.27 -0.33 0.00 0.00 0.00 178.15 178.18 3f5d h GLU 158 N 0.20 0.82 -0.16 2.37 3.07 -1.88 0.42 114.58 119.42 3f5d h GLU 158 Ca 0.06 -0.12 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3f5d h GLU 158 Cb 0.51 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 3f5d h GLU 158 CO 0.02 0.67 -0.09 0.35 -1.40 0.00 0.00 179.01 178.57 3f5d h PHE 159 N 0.77 -0.21 -0.66 4.33 3.57 -0.55 -1.75 116.94 122.44 3f5d h PHE 159 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3f5d h PHE 159 Cb 0.12 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3f5d h PHE 159 CO -0.00 -0.14 0.28 1.15 -2.23 0.00 0.00 178.31 177.37 3f5d h THR 160 N -0.08 1.24 0.28 4.41 2.02 -0.49 -2.43 112.91 117.87 3f5d h THR 160 Ca 0.09 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3f5d h THR 160 Cb 0.21 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3f5d h THR 160 CO -0.21 0.29 -0.24 -1.13 0.37 0.00 0.00 175.52 174.60 3f5d h ASN 161 N 0.93 -0.63 -0.25 4.18 -0.73 -0.42 -1.28 115.58 117.39 3f5d h ASN 161 Ca 0.22 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 3f5d h ASN 161 Cb 0.18 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 3f5d h ASN 161 CO -0.02 -0.36 0.14 -0.07 -0.37 0.00 0.00 177.43 176.75 3f5d h LEU 162 N -0.54 0.34 -0.25 0.34 3.38 -1.30 -2.02 115.31 115.27 3f5d h LEU 162 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3f5d h LEU 162 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3f5d h LEU 162 CO -0.03 0.29 -0.18 0.40 0.09 0.00 0.00 178.44 179.01 3f5d h ILE 163 N 0.39 1.31 -0.16 1.22 2.04 -1.02 -2.94 117.51 118.35 3f5d h ILE 163 Ca 0.10 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 3f5d h ILE 163 Cb 0.04 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3f5d h ILE 163 CO -0.01 0.41 -0.10 -0.07 0.00 0.00 0.00 178.15 178.37 3f5d h LEU 164 N 0.28 0.24 -1.34 1.44 3.38 -0.90 -1.78 115.31 116.62 3f5d h LEU 164 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f5d h LEU 164 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3f5d h LEU 164 CO 0.05 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.33 3f5d n GLU 165 N -4.29 0.42 0.00 1.13 1.02 -0.79 -0.90 120.64 117.22 3f5d n GLU 165 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3f5d n GLU 165 Cb 0.25 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3f5d n GLU 165 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3f5d n ILE 167 N 0.46 0.00 -3.97 -3.67 -5.35 -0.67 -4.59 119.36 101.58 3f5d n ILE 167 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 3f5d n ILE 167 Cb 0.14 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.04 3f5d n ILE 167 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3f5d n ASP 168 N 0.00 -2.63 -0.23 7.28 8.00 -0.95 -4.85 116.55 123.17 3f5d n ASP 168 Ca 0.00 -1.14 -0.09 0.00 0.71 0.00 0.00 54.79 54.28 3f5d n ASP 168 Cb 0.00 -2.54 0.03 0.00 -0.02 0.00 0.00 41.12 38.60 3f5d n ASP 168 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3f5d h PHE 169 N -2.08 1.19 -2.57 1.24 3.57 -1.27 -3.47 116.94 113.56 3f5d h PHE 169 Ca -0.67 -0.19 0.11 0.00 3.53 0.00 0.00 57.97 60.75 3f5d h PHE 169 Cb 1.38 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3f5d h PHE 169 CO 0.42 1.02 0.47 -3.47 -2.23 0.00 0.00 178.31 174.52 3f5d n ASP 170 N -4.19 -1.70 -4.77 0.41 -0.08 -1.26 -5.12 116.55 99.84 3f5d n ASP 170 Ca 0.04 -1.97 -0.36 0.00 -1.51 0.00 0.00 54.79 50.99 3f5d n ASP 170 Cb 0.33 2.78 0.01 0.00 2.34 0.00 0.00 41.12 46.58 3f5d n ASP 170 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3f5d s THR 171 N -2.12 2.91 0.28 5.18 -4.23 -1.26 -4.82 115.64 111.59 3f5d s THR 171 Ca 0.19 0.60 -0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3f5d s THR 171 Cb -0.03 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.83 3f5d s THR 171 CO 0.06 -0.09 1.88 -0.65 -0.54 0.00 0.00 174.62 175.29 3f5d h PRO 172 N 1.32 1.06 -1.97 3.99 0.11 -2.00 -1.49 132.00 133.02 3f5d h PRO 172 Ca -0.50 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 65.28 3f5d h PRO 172 Cb 1.27 -0.24 -0.10 0.00 0.11 0.00 0.00 31.00 32.05 3f5d h PRO 172 CO 0.57 0.70 -0.06 0.39 -0.21 0.00 0.00 178.00 179.39 3f5d n GLU 173 N -4.52 2.00 0.00 1.05 4.71 -1.26 -0.68 120.64 121.94 3f5d n GLU 173 Ca 0.15 -1.33 0.00 0.00 -0.01 0.00 0.00 57.16 55.98 3f5d n GLU 173 Cb 0.22 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.75 3f5d n GLU 173 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3f5d n ASN 174 N 1.77 0.00 -0.06 1.62 2.85 -0.78 -4.82 115.26 115.84 3f5d n ASN 174 Ca 0.39 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.75 3f5d n ASN 174 Cb 0.74 0.19 0.02 0.00 1.24 0.00 0.00 39.78 41.97 3f5d n ASN 174 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3f5d h ILE 175 N 0.00 1.29 -0.81 -1.44 2.04 -1.00 -2.90 117.51 114.70 3f5d h ILE 175 Ca 0.00 -1.67 0.06 0.00 1.00 0.00 0.00 64.86 64.25 3f5d h ILE 175 Cb 0.00 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3f5d h ILE 175 CO 0.00 0.54 0.49 -0.08 0.00 0.00 0.00 178.15 179.10 3f5d h GLU 176 N 0.60 0.88 -4.97 2.37 4.81 -1.15 -3.41 114.58 113.70 3f5d h GLU 176 Ca 0.03 -0.05 -0.44 0.00 -0.13 0.00 0.00 59.36 58.77 3f5d h GLU 176 Cb 1.04 -0.20 0.04 0.00 0.63 0.00 0.00 28.75 30.27 3f5d h GLU 176 CO 0.10 0.58 1.33 1.63 -0.73 0.00 0.00 179.01 181.93 3f5d n LYS 177 N -4.65 0.89 -1.26 1.92 5.02 -1.10 -5.03 118.16 113.95 3f5d n LYS 177 Ca 0.11 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 3f5d n LYS 177 Cb 0.16 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 3f5d n LYS 177 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3f5d n TYR 180 N 11.94 0.00 0.00 2.13 9.36 -1.26 -5.02 117.16 134.30 3f5d n TYR 180 Ca 0.46 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.68 3f5d n TYR 180 Cb 0.44 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 3f5d n TYR 180 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3f5d n ASN 182 N 1.83 0.00 0.06 2.98 3.02 -1.26 -0.65 115.26 121.23 3f5d n ASN 182 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3f5d n ASN 182 Cb 0.17 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.20 3f5d n ASN 182 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3f5d h ARG 183 N 0.00 0.33 0.00 3.52 2.43 -1.99 -3.40 114.38 115.27 3f5d h ARG 183 Ca 0.00 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3f5d h ARG 183 Cb 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3f5d h ARG 183 CO 0.00 1.27 -1.49 0.66 -1.51 0.00 0.00 179.97 178.90 3f5d n TYR 184 N -4.01 0.00 0.00 2.20 4.02 0.17 -5.11 117.16 114.43 3f5d n TYR 184 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 3f5d n TYR 184 Cb 0.89 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 3f5d n TYR 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f5d n GLY 185 N 1.41 0.07 0.28 2.72 0.00 -1.24 -4.35 105.19 104.07 3f5d n GLY 185 Ca -0.01 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 3f5d n GLY 185 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f5d h PHE 186 N 0.00 -0.63 -0.75 1.61 3.57 -1.98 -1.02 116.94 117.74 3f5d h PHE 186 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3f5d h PHE 186 Cb 0.00 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3f5d h PHE 186 CO 0.00 -0.32 0.42 1.88 -2.23 0.00 0.00 178.31 178.06 3f5d h TYR 187 N -0.20 1.03 -0.18 0.41 0.05 -1.98 0.55 116.97 116.65 3f5d h TYR 187 Ca 0.17 -0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.75 3f5d h TYR 187 Cb 0.47 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 3f5d h TYR 187 CO -0.44 0.72 -0.61 0.45 -1.05 0.00 0.00 178.16 177.23 3f5d h HIS 188 N 1.04 0.78 0.42 4.88 3.86 -1.72 -2.50 115.15 121.91 3f5d h HIS 188 Ca 0.27 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3f5d h HIS 188 Cb 0.03 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3f5d h HIS 188 CO -0.00 1.06 -0.20 0.35 0.86 0.00 0.00 177.93 180.00 3f5d h PHE 189 N 0.45 -0.52 -1.08 2.45 3.57 -0.76 -2.19 116.94 118.86 3f5d h PHE 189 Ca -0.01 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.79 3f5d h PHE 189 Cb 1.18 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3f5d h PHE 189 CO 0.05 -0.25 0.77 0.00 -2.23 0.00 0.00 178.31 176.66 3f5d h ASP 191 N 0.03 -0.68 0.00 0.00 5.19 -0.94 0.63 116.42 120.66 3f5d h ASP 191 Ca 0.52 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 3f5d h ASP 191 Cb 2.02 0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.71 3f5d h ASP 191 CO -0.03 -0.38 0.00 1.17 -3.12 0.00 0.00 179.24 176.89 3f5d n LYS 192 N -4.75 0.72 0.00 3.56 4.81 -0.41 -4.03 118.16 118.07 3f5d n LYS 192 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 3f5d n LYS 192 Cb 0.31 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.90 3f5d n LYS 192 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3f5d n TYR 193 N -0.96 0.00 0.00 5.64 4.02 -0.09 -5.03 117.16 120.74 3f5d n TYR 193 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3f5d n TYR 193 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3f5d n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f5d n GLY 194 N 0.03 1.08 1.74 2.72 0.00 0.22 -5.00 105.19 105.99 3f5d n GLY 194 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3f5d n GLY 194 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48