#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyo s ASP 2 N 0.00 6.29 -0.05 6.12 1.01 -1.26 -3.84 116.67 124.94 3fyo s ASP 2 Ca 0.00 0.49 0.02 0.00 0.71 0.00 0.00 52.55 53.78 3fyo s ASP 2 Cb 0.00 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.89 3fyo s ASP 2 CO 0.00 -0.32 -0.11 -0.63 0.21 0.00 0.00 175.17 174.33 3fyo s ILE 3 N -2.35 0.97 -0.19 0.77 1.01 -0.00 -4.98 121.20 116.42 3fyo s ILE 3 Ca 0.41 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3fyo s ILE 3 Cb -0.10 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3fyo s ILE 3 CO 0.37 0.31 0.52 -0.54 0.00 0.00 0.00 174.94 175.60 3fyo s LYS 4 N 0.51 4.20 -0.39 2.79 -0.14 -1.26 -1.07 119.74 124.38 3fyo s LYS 4 Ca -0.10 0.43 0.04 0.00 -1.36 0.00 0.00 55.97 54.97 3fyo s LYS 4 Cb -0.13 -3.56 0.11 0.00 -1.68 0.00 0.00 37.83 32.57 3fyo s LYS 4 CO 0.02 -0.14 0.12 0.42 -0.76 0.00 0.00 175.35 175.01 3fyo s ILE 5 N 1.59 2.42 0.00 2.17 1.01 0.02 -4.99 121.20 123.42 3fyo s ILE 5 Ca 0.24 -2.60 0.00 0.00 0.00 0.00 0.00 60.65 58.29 3fyo s ILE 5 Cb -0.15 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3fyo s ILE 5 CO 0.10 -0.66 0.00 0.59 0.00 0.00 0.00 174.94 174.97 3fyo n ASN 6 N 3.95 0.00 -1.12 3.58 3.02 -1.26 -0.76 115.26 122.67 3fyo n ASN 6 Ca 0.04 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 3fyo n ASN 6 Cb 0.39 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.81 3fyo n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fyo n ASP 7 N 8.03 3.34 -4.78 6.41 8.00 -1.26 -4.90 116.55 131.39 3fyo n ASP 7 Ca 0.00 -1.97 -0.38 0.00 0.71 0.00 0.00 54.79 53.15 3fyo n ASP 7 Cb 0.00 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 3fyo n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fyo s ILE 8 N -1.46 4.99 -0.31 0.53 1.01 0.06 -5.07 121.20 120.95 3fyo s ILE 8 Ca 0.39 1.04 -0.12 0.00 0.00 0.00 0.00 60.65 61.96 3fyo s ILE 8 Cb 0.23 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3fyo s ILE 8 CO 0.31 0.46 0.23 -0.89 0.00 0.00 0.00 174.94 175.06 3fyo s THR 9 N -0.38 5.28 -0.22 2.92 2.01 -1.26 -0.80 115.64 123.19 3fyo s THR 9 Ca 0.27 -0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 3fyo s THR 9 Cb -0.17 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3fyo s THR 9 CO 0.14 0.10 0.05 -0.22 -0.69 0.00 0.00 174.62 174.00 3fyo s LEU 10 N 1.77 3.42 -0.13 4.42 2.96 -0.23 -4.80 118.68 126.10 3fyo s LEU 10 Ca 0.07 -0.17 -0.33 0.00 -0.22 0.00 0.00 54.13 53.48 3fyo s LEU 10 Cb -0.17 -1.90 0.13 0.00 0.50 0.00 0.00 46.19 44.75 3fyo s LEU 10 CO 0.11 0.02 1.15 -0.83 -1.32 0.00 0.00 176.35 175.48 3fyo s GLY 11 N 1.26 -0.34 0.00 7.98 0.00 -1.26 -0.82 107.32 114.14 3fyo s GLY 11 Ca 0.04 1.34 0.16 0.00 0.00 0.00 0.00 44.72 46.27 3fyo s GLY 11 CO 0.03 0.43 1.51 0.70 0.00 0.00 0.00 173.10 175.77 3fyo n ASN 12 N -0.18 0.00 -0.23 1.64 3.02 -1.26 -1.53 115.26 116.72 3fyo n ASN 12 Ca -0.02 0.43 0.06 0.00 -0.03 0.00 0.00 54.58 55.02 3fyo n ASN 12 Cb 0.59 -0.47 0.12 0.00 -0.61 0.00 0.00 39.78 39.41 3fyo n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fyo n ASN 13 N -1.47 2.53 -4.87 6.41 2.85 -1.26 -4.33 115.26 115.13 3fyo n ASN 13 Ca 0.05 -2.64 -0.21 0.00 -0.11 0.00 0.00 54.58 51.66 3fyo n ASN 13 Cb 0.18 -0.30 -0.03 0.00 1.24 0.00 0.00 39.78 40.87 3fyo n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3fyo s SER 14 N -1.99 5.36 0.30 1.20 0.01 -0.58 -5.05 113.70 112.95 3fyo s SER 14 Ca 0.23 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 3fyo s SER 14 Cb 0.19 -1.00 -0.13 0.00 0.21 0.00 0.00 66.02 65.29 3fyo s SER 14 CO 0.04 -0.36 1.38 -2.65 0.41 0.00 0.00 173.24 172.06 3fyo n PRO 15 N -1.40 2.20 -1.82 12.44 -0.02 -1.26 -4.82 135.00 140.32 3fyo n PRO 15 Ca -0.02 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3fyo n PRO 15 Cb 0.60 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3fyo n PRO 15 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3fyo s PHE 16 N -0.57 2.44 -0.18 6.00 -0.12 -1.26 -4.83 117.98 119.46 3fyo s PHE 16 Ca 0.61 1.30 -0.07 0.00 -0.05 0.00 0.00 56.93 58.73 3fyo s PHE 16 Cb -0.58 -3.87 -0.04 0.00 -0.63 0.00 0.00 43.02 37.90 3fyo s PHE 16 CO 0.56 -2.85 0.05 0.08 -0.05 0.00 0.00 175.22 173.00 3fyo s VAL 17 N -1.24 4.68 -0.20 -2.49 1.01 -0.56 -4.33 120.40 117.26 3fyo s VAL 17 Ca 0.63 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 3fyo s VAL 17 Cb -0.42 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3fyo s VAL 17 CO 0.53 0.46 0.80 -0.22 0.00 0.00 0.00 175.10 176.67 3fyo s LEU 18 N 0.39 4.13 -0.47 3.92 2.96 -0.35 -1.49 118.68 127.78 3fyo s LEU 18 Ca 0.02 1.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.85 3fyo s LEU 18 Cb -0.13 -3.16 0.08 0.00 0.50 0.00 0.00 46.19 43.48 3fyo s LEU 18 CO 0.01 -0.43 0.38 -0.36 -1.32 0.00 0.00 176.35 174.63 3fyo s PHE 19 N 2.39 3.26 0.00 5.38 0.40 0.46 -0.79 117.98 129.08 3fyo s PHE 19 Ca 0.35 -1.05 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 3fyo s PHE 19 Cb -0.16 -3.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.20 3fyo s PHE 19 CO 0.10 -0.82 -0.02 0.20 0.70 0.00 0.00 175.22 175.38 3fyo s GLY 20 N 2.57 0.13 0.00 4.36 0.00 -0.45 -0.37 107.32 113.55 3fyo s GLY 20 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3fyo s GLY 20 CO 0.06 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.58 3fyo n GLY 21 N 2.75 0.56 3.39 0.20 0.00 -0.96 -1.20 105.19 109.93 3fyo n GLY 21 Ca -0.14 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3fyo n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyo s ILE 22 N 1.85 0.70 -0.02 -0.61 -4.36 -0.58 -1.57 121.20 116.61 3fyo s ILE 22 Ca 0.00 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 3fyo s ILE 22 Cb 0.00 -2.62 -0.12 0.00 1.25 0.00 0.00 42.46 40.97 3fyo s ILE 22 CO 0.00 0.00 0.85 0.00 0.24 0.00 0.00 174.94 176.03 3fyo s VAL 24 N -3.78 -0.01 -0.00 0.00 0.11 -1.26 -2.22 120.40 113.24 3fyo s VAL 24 Ca -0.11 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 3fyo s VAL 24 Cb 0.01 -0.17 -0.07 0.00 -1.53 0.00 0.00 36.38 34.62 3fyo s VAL 24 CO 0.36 0.02 1.63 -0.76 -3.33 0.00 0.00 175.10 173.02 3fyo s LEU 25 N 0.35 4.34 0.00 2.54 1.43 0.14 -4.84 118.68 122.64 3fyo s LEU 25 Ca -0.02 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3fyo s LEU 25 Cb -0.04 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3fyo s LEU 25 CO -0.01 -0.89 0.00 -0.62 0.23 0.00 0.00 176.35 175.06 3fyo n GLU 26 N 6.37 4.09 -3.71 1.70 -0.58 -1.26 -1.62 120.64 125.63 3fyo n GLU 26 Ca 0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.87 3fyo n GLU 26 Cb 0.42 -0.54 -0.01 0.00 -0.57 0.00 0.00 31.44 30.73 3fyo n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fyo s SER 27 N -1.02 -0.18 -0.23 1.62 1.04 -1.26 -4.91 113.70 108.76 3fyo s SER 27 Ca 0.00 -0.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 3fyo s SER 27 Cb 0.00 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 3fyo s SER 27 CO 0.00 -0.80 -0.29 -0.11 0.98 0.00 0.00 173.24 173.02 3fyo n LEU 28 N -0.45 1.94 -0.21 2.42 7.94 -1.26 -4.18 117.00 123.21 3fyo n LEU 28 Ca -0.07 0.36 -0.09 0.00 -1.11 0.00 0.00 56.01 55.11 3fyo n LEU 28 Cb 0.61 -0.81 0.02 0.00 0.53 0.00 0.00 43.42 43.77 3fyo n LEU 28 CO 0.13 0.23 0.86 0.44 -1.11 0.00 0.00 177.39 177.94 3fyo h ASP 29 N -1.00 0.96 -0.30 1.96 3.32 -1.99 -1.49 116.42 117.87 3fyo h ASP 29 Ca -0.41 -0.27 -0.18 0.00 0.02 0.00 0.00 57.03 56.18 3fyo h ASP 29 Cb 1.33 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3fyo h ASP 29 CO -0.25 0.99 -0.52 -1.28 -1.72 0.00 0.00 179.24 176.46 3fyo h SER 30 N 0.89 0.98 -0.43 6.45 0.87 -1.99 -1.31 113.55 119.01 3fyo h SER 30 Ca 0.17 -0.52 0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3fyo h SER 30 Cb 0.46 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 3fyo h SER 30 CO 0.02 1.32 0.12 0.74 -0.53 0.00 0.00 176.83 178.49 3fyo h THR 31 N 0.68 0.82 -0.54 2.23 2.02 -1.65 -0.97 112.91 115.50 3fyo h THR 31 Ca 0.02 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3fyo h THR 31 Cb 1.13 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3fyo h THR 31 CO 0.12 0.05 -0.00 -0.07 0.37 0.00 0.00 175.52 175.99 3fyo h LEU 32 N 0.27 0.88 -0.62 2.58 3.38 -0.93 -0.21 115.31 120.66 3fyo h LEU 32 Ca 0.20 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3fyo h LEU 32 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3fyo h LEU 32 CO -0.24 0.95 0.21 1.56 0.09 0.00 0.00 178.44 181.01 3fyo h GLN 33 N 0.84 0.95 -0.20 1.13 4.20 -0.75 0.86 115.11 122.14 3fyo h GLN 33 Ca 0.16 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3fyo h GLN 33 Cb 0.50 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3fyo h GLN 33 CO 0.02 0.83 -0.11 1.15 -0.67 0.00 0.00 178.83 180.06 3fyo h THR 34 N 0.88 1.31 -0.85 -0.54 2.02 -0.89 -2.66 112.91 112.19 3fyo h THR 34 Ca 0.20 -1.19 0.04 0.00 0.77 0.00 0.00 66.41 66.23 3fyo h THR 34 Cb 0.26 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3fyo h THR 34 CO -0.01 0.36 0.54 0.00 0.37 0.00 0.00 175.52 176.78 3fyo h ALA 36 N 1.36 1.65 -0.20 0.00 0.00 -0.65 -0.28 119.26 121.13 3fyo h ALA 36 Ca 0.34 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3fyo h ALA 36 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fyo h ALA 36 CO -0.13 0.22 -0.38 1.25 0.00 0.00 0.00 179.25 180.22 3fyo h HIS 37 N 0.84 0.77 -0.70 0.00 6.17 -1.00 -1.43 115.15 119.81 3fyo h HIS 37 Ca 0.35 -0.28 0.08 0.00 0.71 0.00 0.00 60.37 61.23 3fyo h HIS 37 Cb 0.27 -0.15 -0.06 0.00 2.52 0.00 0.00 27.41 29.99 3fyo h HIS 37 CO -0.00 1.03 0.37 1.88 0.71 0.00 0.00 177.93 181.92 3fyo h TYR 38 N 0.30 0.67 -0.37 5.26 -1.99 -0.98 -2.03 116.97 117.83 3fyo h TYR 38 Ca 0.01 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 3fyo h TYR 38 Cb 0.98 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 3fyo h TYR 38 CO 0.09 0.28 0.04 0.28 -0.00 0.00 0.00 178.16 178.84 3fyo h VAL 39 N 0.65 1.25 -0.28 -2.88 2.07 -0.96 -0.87 116.25 115.23 3fyo h VAL 39 Ca 0.33 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3fyo h VAL 39 Cb 0.29 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3fyo h VAL 39 CO -0.23 0.30 0.11 -0.08 0.02 0.00 0.00 177.57 177.69 3fyo h GLU 40 N 0.46 0.42 -0.14 1.57 4.22 -1.05 0.74 114.58 120.80 3fyo h GLU 40 Ca 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 3fyo h GLU 40 Cb 0.40 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fyo h GLU 40 CO 0.01 0.45 -0.03 0.28 -2.18 0.00 0.00 179.01 177.55 3fyo h VAL 41 N 0.30 1.28 -0.47 0.32 2.07 -1.35 -1.66 116.25 116.74 3fyo h VAL 41 Ca 0.09 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 3fyo h VAL 41 Cb 0.19 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3fyo h VAL 41 CO -0.01 0.28 -0.06 0.71 0.02 0.00 0.00 177.57 178.52 3fyo h THR 42 N -0.03 1.25 -0.67 2.57 1.35 -1.09 -2.35 112.91 113.95 3fyo h THR 42 Ca 0.04 -1.10 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 3fyo h THR 42 Cb 0.44 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 67.79 3fyo h THR 42 CO 0.01 0.38 0.17 0.03 -0.25 0.00 0.00 175.52 175.87 3fyo h ARG 43 N 0.75 1.07 -0.40 4.72 3.08 -0.83 0.15 114.38 122.92 3fyo h ARG 43 Ca 0.13 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3fyo h ARG 43 Cb 0.53 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3fyo h ARG 43 CO 0.03 0.95 0.27 -0.22 -1.07 0.00 0.00 179.97 179.92 3fyo h LYS 44 N 1.00 0.36 -0.01 0.04 3.64 -0.99 -2.66 116.57 117.95 3fyo h LYS 44 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3fyo h LYS 44 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3fyo h LYS 44 CO 0.00 0.24 -0.53 1.28 -2.27 0.00 0.00 179.45 178.17 3fyo n LEU 45 N -4.48 1.51 -1.40 5.20 4.77 -0.87 -4.99 117.00 116.73 3fyo n LEU 45 Ca 0.04 -0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 3fyo n LEU 45 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3fyo n LEU 45 CO 0.35 0.30 -0.04 0.61 -1.33 0.00 0.00 177.39 177.27 3fyo n GLY 46 N 1.31 0.06 3.68 -0.72 0.00 0.43 -5.02 105.19 104.94 3fyo n GLY 46 Ca 0.06 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3fyo n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyo s ILE 47 N -2.71 5.35 0.43 -0.61 1.01 -0.63 -5.03 121.20 119.01 3fyo s ILE 47 Ca 0.09 0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 3fyo s ILE 47 Cb -0.04 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 3fyo s ILE 47 CO 0.12 0.36 1.33 -2.84 0.00 0.00 0.00 174.94 173.90 3fyo s PRO 48 N 0.90 3.84 -0.05 2.79 0.02 -1.26 -4.58 135.00 136.65 3fyo s PRO 48 Ca 0.10 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3fyo s PRO 48 Cb -0.13 -2.68 0.04 0.00 0.02 0.00 0.00 34.50 31.74 3fyo s PRO 48 CO 0.03 -0.61 0.11 -0.47 -0.33 0.00 0.00 177.00 175.73 3fyo s TYR 49 N -1.27 -0.11 -0.11 6.54 5.04 -1.26 -1.21 117.35 124.97 3fyo s TYR 49 Ca 0.59 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 3fyo s TYR 49 Cb -0.39 -0.13 0.01 0.00 0.35 0.00 0.00 41.96 41.81 3fyo s TYR 49 CO 0.50 -0.15 -0.17 0.42 -1.34 0.00 0.00 175.55 174.82 3fyo s ILE 50 N 1.14 1.61 -0.04 3.14 1.01 0.03 -4.38 121.20 123.71 3fyo s ILE 50 Ca -0.09 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 3fyo s ILE 50 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 3fyo s ILE 50 CO -0.05 0.46 0.89 0.12 0.00 0.00 0.00 174.94 176.36 3fyo s PHE 51 N 0.92 3.60 -0.09 3.97 5.36 -0.81 -1.34 117.98 129.59 3fyo s PHE 51 Ca -0.07 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 3fyo s PHE 51 Cb -0.15 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.48 3fyo s PHE 51 CO -0.01 -0.02 -0.13 0.21 -1.46 0.00 0.00 175.22 173.81 3fyo s LYS 52 N 1.14 2.98 0.08 10.12 2.36 -0.34 -0.84 119.74 135.25 3fyo s LYS 52 Ca 0.46 -0.68 -0.26 0.00 -2.55 0.00 0.00 55.97 52.95 3fyo s LYS 52 Cb -0.19 -2.53 0.07 0.00 -1.05 0.00 0.00 37.83 34.13 3fyo s LYS 52 CO 0.23 0.42 0.62 0.00 1.55 0.00 0.00 175.35 178.17 3fyo s ALA 53 N -0.18 -1.65 0.10 3.13 0.00 -1.16 -1.52 121.76 120.49 3fyo s ALA 53 Ca 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 3fyo s ALA 53 Cb -0.13 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 3fyo s ALA 53 CO 0.03 -0.62 0.35 0.45 0.00 0.00 0.00 175.76 175.97 3fyo s SER 54 N -2.20 6.51 0.00 0.00 0.15 -0.94 -4.33 113.70 112.89 3fyo s SER 54 Ca -0.03 0.61 0.19 0.00 0.70 0.00 0.00 55.95 57.41 3fyo s SER 54 Cb -0.01 -2.10 -0.18 0.00 -1.71 0.00 0.00 66.02 62.02 3fyo s SER 54 CO -0.05 0.12 0.81 2.22 1.20 0.00 0.00 173.24 177.54 3fyo n PHE 55 N 0.44 0.00 -3.31 3.44 1.16 -1.26 0.27 117.46 118.20 3fyo n PHE 55 Ca -0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.43 3fyo n PHE 55 Cb 0.52 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.34 3fyo n PHE 55 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3fyo s ASP 56 N -2.69 0.23 -0.45 5.98 -1.08 -1.25 -0.97 116.67 116.43 3fyo s ASP 56 Ca 0.08 -1.14 -0.20 0.00 -0.52 0.00 0.00 52.55 50.76 3fyo s ASP 56 Cb 0.14 1.07 0.03 0.00 -1.46 0.00 0.00 42.92 42.70 3fyo s ASP 56 CO 0.73 -0.25 0.64 -0.75 0.52 0.00 0.00 175.17 176.07 3fyo s LYS 57 N 1.74 3.24 0.40 4.34 2.47 0.22 -5.02 119.74 127.13 3fyo s LYS 57 Ca 0.15 -0.47 -0.12 0.00 -1.56 0.00 0.00 55.97 53.98 3fyo s LYS 57 Cb -0.12 -3.98 -0.07 0.00 -1.46 0.00 0.00 37.83 32.21 3fyo s LYS 57 CO -0.09 -1.05 0.78 0.00 0.16 0.00 0.00 175.35 175.15 3fyo s ALA 58 N 2.80 3.32 -0.02 3.13 0.00 -1.26 -4.46 121.76 125.27 3fyo s ALA 58 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 3fyo s ALA 58 Cb -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3fyo s ALA 58 CO 0.18 0.05 0.02 0.27 0.00 0.00 0.00 175.76 176.27 3fyo n ASN 59 N -1.11 -2.04 -4.92 0.00 6.94 -1.26 -5.04 115.26 107.83 3fyo n ASN 59 Ca 0.03 -0.01 -0.27 0.00 -0.02 0.00 0.00 54.58 54.31 3fyo n ASN 59 Cb 0.54 -0.57 0.07 0.00 -2.36 0.00 0.00 39.78 37.46 3fyo n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3fyo s ARG 60 N -4.99 2.27 0.27 -3.83 0.52 -1.26 -4.98 118.95 106.94 3fyo s ARG 60 Ca 0.01 -0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 3fyo s ARG 60 Cb -0.00 -2.11 0.36 0.00 0.52 0.00 0.00 34.95 33.71 3fyo s ARG 60 CO 0.01 -1.26 1.64 0.66 0.02 0.00 0.00 175.30 176.37 3fyo h SER 61 N -0.68 0.29 -4.46 0.23 4.64 -1.96 -3.44 113.55 108.18 3fyo h SER 61 Ca -0.45 -0.14 -0.29 0.00 -0.47 0.00 0.00 61.79 60.44 3fyo h SER 61 Cb 1.31 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3fyo h SER 61 CO 0.62 0.73 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.70 3fyo s SER 62 N -6.88 1.27 0.50 4.97 1.04 -1.26 -5.04 113.70 108.30 3fyo s SER 62 Ca -0.05 -1.15 0.27 0.00 0.48 0.00 0.00 55.95 55.51 3fyo s SER 62 Cb 0.13 0.10 1.31 0.00 0.10 0.00 0.00 66.02 67.66 3fyo s SER 62 CO 0.79 -0.54 2.00 0.16 0.98 0.00 0.00 173.24 176.62 3fyo h ILE 63 N 2.72 0.51 -0.21 -1.02 3.07 -2.04 -3.13 117.51 117.42 3fyo h ILE 63 Ca -0.37 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.34 3fyo h ILE 63 Cb 1.20 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3fyo h ILE 63 CO 0.63 0.14 0.00 1.41 -1.05 0.00 0.00 178.15 179.28 3fyo n HIS 64 N -3.51 0.30 -1.77 0.16 8.25 -1.26 -4.96 115.22 112.43 3fyo n HIS 64 Ca -0.01 -0.53 -0.38 0.00 -0.26 0.00 0.00 57.72 56.54 3fyo n HIS 64 Cb 0.30 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.40 3fyo n HIS 64 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fyo s SER 65 N -1.10 5.13 0.13 0.41 1.04 -1.19 -4.86 113.70 113.26 3fyo s SER 65 Ca 0.16 2.74 -0.31 0.00 0.48 0.00 0.00 55.95 59.02 3fyo s SER 65 Cb 0.09 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 3fyo s SER 65 CO 0.09 -1.66 1.70 -0.47 0.98 0.00 0.00 173.24 173.88 3fyo s TYR 66 N -1.32 2.56 -1.06 5.02 5.04 -1.26 -4.87 117.35 121.46 3fyo s TYR 66 Ca 0.74 0.29 0.29 0.00 -2.44 0.00 0.00 57.07 55.95 3fyo s TYR 66 Cb -0.40 -4.05 1.28 0.00 0.35 0.00 0.00 41.96 39.14 3fyo s TYR 66 CO 0.46 -4.14 1.95 2.89 -1.34 0.00 0.00 175.55 175.37 3fyo n ARG 67 N 5.00 0.06 0.00 4.97 1.85 -1.26 -4.92 116.66 122.36 3fyo n ARG 67 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 3fyo n ARG 67 Cb 0.38 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 3fyo n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyo n GLY 68 N 1.46 1.44 0.14 2.89 0.00 -1.26 -0.61 105.19 109.25 3fyo n GLY 68 Ca 0.08 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 44.09 3fyo n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fyo n VAL 69 N 0.23 0.92 0.00 1.61 0.24 -0.64 -4.87 118.33 115.82 3fyo n VAL 69 Ca 0.00 0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.70 3fyo n VAL 69 Cb 0.00 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 3fyo n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fyo n GLY 70 N -0.44 -0.79 0.48 7.63 0.00 -0.14 -4.45 105.19 107.48 3fyo n GLY 70 Ca 0.01 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 3fyo n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fyo h LEU 71 N 0.00 -1.17 -0.21 0.99 5.85 -1.94 0.33 115.31 119.15 3fyo h LEU 71 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3fyo h LEU 71 Cb 0.00 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3fyo h LEU 71 CO 0.00 -0.69 0.09 -0.08 -0.34 0.00 0.00 178.44 177.42 3fyo h GLU 72 N -1.09 0.31 0.00 1.25 4.81 -1.98 -0.99 114.58 116.89 3fyo h GLU 72 Ca -0.09 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 3fyo h GLU 72 Cb 0.89 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3fyo h GLU 72 CO 0.07 0.36 -0.63 1.49 -0.73 0.00 0.00 179.01 179.57 3fyo h GLU 73 N 0.19 0.00 -0.36 1.92 4.57 -1.77 -2.90 114.58 116.23 3fyo h GLU 73 Ca 0.07 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3fyo h GLU 73 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3fyo h GLU 73 CO -0.01 0.63 0.03 0.78 -1.18 0.00 0.00 179.01 179.26 3fyo h GLY 74 N 2.88 0.67 1.59 1.92 0.00 -0.57 -1.58 103.07 107.98 3fyo h GLY 74 Ca -0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3fyo h GLY 74 CO 0.08 0.43 -0.26 1.41 0.00 0.00 0.00 176.54 178.20 3fyo h LEU 75 N 0.45 0.47 -0.77 3.11 3.38 -1.18 -0.31 115.31 120.46 3fyo h LEU 75 Ca 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3fyo h LEU 75 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3fyo h LEU 75 CO 0.01 0.73 0.29 0.50 0.09 0.00 0.00 178.44 180.06 3fyo h LYS 76 N 0.42 1.16 -0.43 1.13 3.64 -1.31 0.13 116.57 121.30 3fyo h LYS 76 Ca 0.06 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 3fyo h LYS 76 Cb 0.68 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3fyo h LYS 76 CO 0.05 0.95 -0.04 0.82 -2.27 0.00 0.00 179.45 178.96 3fyo h ILE 77 N 1.12 1.27 -0.83 2.00 2.04 -0.74 -2.46 117.51 119.91 3fyo h ILE 77 Ca 0.25 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3fyo h ILE 77 Cb 0.24 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3fyo h ILE 77 CO -0.02 0.38 0.55 -0.26 0.00 0.00 0.00 178.15 178.80 3fyo h PHE 78 N 0.63 1.03 -0.83 1.37 0.05 -0.61 -1.24 116.94 117.34 3fyo h PHE 78 Ca 0.12 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.91 3fyo h PHE 78 Cb 0.55 -0.35 -0.04 0.00 2.00 0.00 0.00 35.95 38.11 3fyo h PHE 78 CO 0.04 0.64 0.42 0.93 -0.18 0.00 0.00 178.31 180.16 3fyo h GLU 79 N 1.10 1.19 -0.68 1.51 5.08 -0.52 -1.29 114.58 120.97 3fyo h GLU 79 Ca 0.31 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3fyo h GLU 79 Cb -0.10 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 3fyo h GLU 79 CO -0.07 0.90 0.12 -0.22 -1.00 0.00 0.00 179.01 178.74 3fyo h LYS 80 N 1.18 1.12 -0.21 2.33 1.63 -0.85 -0.29 116.57 121.47 3fyo h LYS 80 Ca 0.29 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3fyo h LYS 80 Cb 0.09 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3fyo h LYS 80 CO -0.04 1.02 0.14 0.28 -3.45 0.00 0.00 179.45 177.39 3fyo h VAL 81 N 1.05 1.06 -0.75 2.00 2.07 -0.86 0.14 116.25 120.95 3fyo h VAL 81 Ca 0.21 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3fyo h VAL 81 Cb 0.43 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3fyo h VAL 81 CO 0.01 0.05 0.41 0.11 0.02 0.00 0.00 177.57 178.18 3fyo h LYS 82 N 0.28 1.04 -0.29 1.57 1.57 -1.00 -1.27 116.57 118.47 3fyo h LYS 82 Ca 0.08 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3fyo h LYS 82 Cb -0.03 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 3fyo h LYS 82 CO -0.02 0.77 -0.27 0.00 -0.57 0.00 0.00 179.45 179.37 3fyo h ALA 83 N 1.21 0.42 -0.15 3.86 0.00 -0.80 0.28 119.26 124.08 3fyo h ALA 83 Ca 0.26 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3fyo h ALA 83 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fyo h ALA 83 CO -0.04 0.42 -0.33 1.49 0.00 0.00 0.00 179.25 180.79 3fyo h GLU 84 N 0.44 0.49 0.00 0.00 4.81 -0.61 -3.39 114.58 116.32 3fyo h GLU 84 Ca 0.05 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3fyo h GLU 84 Cb 0.84 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3fyo h GLU 84 CO 0.07 0.94 -1.29 1.19 -0.73 0.00 0.00 179.01 179.18 3fyo n PHE 85 N -4.35 0.00 -2.09 0.92 3.01 -0.49 -5.01 117.46 109.44 3fyo n PHE 85 Ca -0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.29 3fyo n PHE 85 Cb 0.49 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 3fyo n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fyo n GLY 86 N 1.63 0.08 3.66 1.37 0.00 0.08 -5.03 105.19 106.98 3fyo n GLY 86 Ca -0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3fyo n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyo s ILE 87 N -2.51 3.54 0.67 -0.61 -4.36 -1.26 -5.08 121.20 111.60 3fyo s ILE 87 Ca 0.00 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 3fyo s ILE 87 Cb 0.00 -2.88 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 3fyo s ILE 87 CO 0.00 -0.34 1.05 -2.84 0.24 0.00 0.00 174.94 173.05 3fyo s PRO 88 N -3.58 3.14 0.16 0.37 0.02 -1.26 -4.57 135.00 129.28 3fyo s PRO 88 Ca 0.31 0.88 0.04 0.00 0.02 0.00 0.00 61.00 62.25 3fyo s PRO 88 Cb -0.07 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3fyo s PRO 88 CO 0.20 -0.93 -0.08 0.14 -0.33 0.00 0.00 177.00 176.00 3fyo s VAL 89 N -3.09 1.08 -0.01 3.83 -7.23 -1.26 -1.93 120.40 111.79 3fyo s VAL 89 Ca 0.57 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3fyo s VAL 89 Cb -0.13 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.90 3fyo s VAL 89 CO 0.55 -0.68 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.13 3fyo s ILE 90 N -3.39 0.19 0.14 -0.62 2.07 -0.02 -2.02 121.20 117.56 3fyo s ILE 90 Ca 0.18 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.32 3fyo s ILE 90 Cb 0.03 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 3fyo s ILE 90 CO 0.01 0.08 0.17 0.28 -1.91 0.00 0.00 174.94 173.57 3fyo s THR 91 N 0.24 0.09 0.17 4.00 -1.32 -0.99 -2.99 115.64 114.83 3fyo s THR 91 Ca -0.02 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 3fyo s THR 91 Cb -0.04 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.00 3fyo s THR 91 CO -0.01 -0.40 0.34 1.51 -2.21 0.00 0.00 174.62 173.85 3fyo s ASP 92 N -3.00 6.37 0.16 8.08 -4.77 -1.26 -0.82 116.67 121.43 3fyo s ASP 92 Ca 0.20 0.31 0.11 0.00 -3.30 0.00 0.00 52.55 49.86 3fyo s ASP 92 Cb 0.05 -1.97 -0.04 0.00 -1.09 0.00 0.00 42.92 39.87 3fyo s ASP 92 CO 0.00 0.01 -0.24 0.68 0.70 0.00 0.00 175.17 176.32 3fyo s VAL 93 N -1.80 2.18 0.00 2.11 -7.23 -1.01 -4.81 120.40 109.85 3fyo s VAL 93 Ca 0.37 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3fyo s VAL 93 Cb -0.11 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.84 3fyo s VAL 93 CO 0.29 -0.08 0.00 1.41 -0.31 0.00 0.00 175.10 176.40 3fyo n HIS 94 N 0.53 0.00 -3.92 2.82 8.25 -1.26 -4.40 115.22 117.24 3fyo n HIS 94 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3fyo n HIS 94 Cb 0.55 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.55 3fyo n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fyo s GLU 95 N -1.00 0.28 0.28 -0.41 0.41 -1.26 -5.05 118.70 111.94 3fyo s GLU 95 Ca 0.00 -0.37 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 3fyo s GLU 95 Cb 0.00 0.11 0.60 0.00 -1.78 0.00 0.00 34.13 33.06 3fyo s GLU 95 CO 0.00 -0.05 1.77 -1.35 -0.49 0.00 0.00 175.26 175.14 3fyo h PRO 96 N 4.96 0.66 0.00 0.39 0.11 -1.90 -0.90 132.00 135.32 3fyo h PRO 96 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fyo h PRO 96 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fyo h PRO 96 CO 0.43 0.44 0.00 1.12 -0.21 0.00 0.00 178.00 179.78 3fyo h HIS 97 N 0.68 0.00 0.00 0.65 2.07 -1.98 -1.25 115.15 115.32 3fyo h HIS 97 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 3fyo h HIS 97 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 3fyo h HIS 97 CO -0.06 0.00 -0.60 1.96 -3.07 0.00 0.00 177.93 176.16 3fyo h GLN 98 N 0.00 0.00 -0.11 5.12 4.20 -1.58 -3.39 115.11 119.34 3fyo h GLN 98 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fyo h GLN 98 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3fyo h GLN 98 CO 0.00 0.00 0.06 0.00 -0.67 0.00 0.00 178.83 178.22 3fyo h GLN 100 N 0.10 -0.11 -0.04 0.00 4.20 -1.75 -1.57 115.11 115.93 3fyo h GLN 100 Ca 0.04 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3fyo h GLN 100 Cb 0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3fyo h GLN 100 CO -0.01 0.07 -0.38 -1.00 -0.67 0.00 0.00 178.83 176.84 3fyo h PRO 101 N -0.27 0.09 -0.16 1.46 0.13 -1.77 -2.60 132.00 128.87 3fyo h PRO 101 Ca -0.01 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 3fyo h PRO 101 Cb 0.23 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 3fyo h PRO 101 CO 0.02 0.45 -0.30 0.28 -0.23 0.00 0.00 178.00 178.23 3fyo h VAL 102 N 0.08 1.35 0.00 1.56 2.07 -1.37 -3.23 116.25 116.71 3fyo h VAL 102 Ca 0.01 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3fyo h VAL 102 Cb 0.70 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3fyo h VAL 102 CO 0.05 0.46 -0.09 0.00 0.02 0.00 0.00 177.57 178.02 3fyo h ALA 103 N 0.57 1.61 0.00 1.67 0.00 -1.14 0.18 119.26 122.15 3fyo h ALA 103 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fyo h ALA 103 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3fyo h ALA 103 CO 0.07 0.11 -0.30 0.93 0.00 0.00 0.00 179.25 180.05 3fyo h GLU 104 N 0.00 0.00 0.00 0.00 5.08 -1.48 -3.27 114.58 114.90 3fyo h GLU 104 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 3fyo h GLU 104 Cb 0.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 3fyo h GLU 104 CO 0.01 0.30 -2.25 0.28 -1.00 0.00 0.00 179.01 176.35 3fyo n VAL 105 N -3.67 1.25 -3.79 3.13 0.31 -0.64 -5.03 118.33 109.90 3fyo n VAL 105 Ca -0.01 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.50 3fyo n VAL 105 Cb 0.42 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 3fyo n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyo h ASP 107 N 5.00 0.19 -3.83 0.00 3.32 -1.75 -3.43 116.42 115.92 3fyo h ASP 107 Ca -0.54 -0.16 -0.48 0.00 0.02 0.00 0.00 57.03 55.88 3fyo h ASP 107 Cb 1.22 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 3fyo h ASP 107 CO 0.60 0.96 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.58 3fyo s VAL 108 N -3.20 1.01 -0.05 -1.35 1.01 -0.85 -4.14 120.40 112.83 3fyo s VAL 108 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3fyo s VAL 108 Cb 0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3fyo s VAL 108 CO 0.82 0.31 -0.14 0.27 0.00 0.00 0.00 175.10 176.35 3fyo s ILE 109 N 0.17 3.07 -0.11 2.22 -4.36 -0.69 -2.36 121.20 119.14 3fyo s ILE 109 Ca -0.04 -0.72 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3fyo s ILE 109 Cb -0.10 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 3fyo s ILE 109 CO 0.01 0.59 -0.14 -1.58 0.24 0.00 0.00 174.94 174.06 3fyo s GLN 110 N -0.73 3.19 -0.41 0.37 0.74 0.00 -1.02 119.66 121.81 3fyo s GLN 110 Ca 0.11 -0.70 -0.21 0.00 0.05 0.00 0.00 55.36 54.62 3fyo s GLN 110 Cb -0.11 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.45 3fyo s GLN 110 CO 0.01 0.30 0.66 -1.17 -0.55 0.00 0.00 175.29 174.54 3fyo s LEU 111 N 0.13 4.37 0.55 3.68 2.96 0.62 -2.39 118.68 128.60 3fyo s LEU 111 Ca -0.07 -0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 3fyo s LEU 111 Cb -0.15 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 3fyo s LEU 111 CO 0.05 -0.74 1.30 -2.84 -1.32 0.00 0.00 176.35 172.80 3fyo s PRO 112 N 2.86 3.12 0.34 0.98 0.02 -1.26 -2.73 135.00 138.33 3fyo s PRO 112 Ca 0.24 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.36 3fyo s PRO 112 Cb -0.14 -2.17 0.59 0.00 0.02 0.00 0.00 34.50 32.80 3fyo s PRO 112 CO 0.18 -1.15 1.99 0.00 -0.33 0.00 0.00 177.00 177.69 3fyo h ALA 113 N 1.33 1.51 0.00 -1.55 0.00 -1.93 -0.21 119.26 118.41 3fyo h ALA 113 Ca -0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3fyo h ALA 113 Cb 1.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fyo h ALA 113 CO 0.57 0.45 0.00 1.97 0.00 0.00 0.00 179.25 182.23 3fyo n PHE 114 N -4.42 0.52 0.03 0.00 -1.74 -1.26 -2.02 117.46 108.57 3fyo n PHE 114 Ca 0.07 0.19 0.07 0.00 -0.56 0.00 0.00 57.45 57.21 3fyo n PHE 114 Cb 0.05 -0.80 0.15 0.00 1.52 0.00 0.00 39.48 40.39 3fyo n PHE 114 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3fyo n LEU 115 N -1.96 2.82 0.28 5.98 4.77 -0.12 -4.71 117.00 124.07 3fyo n LEU 115 Ca 0.04 -1.68 0.19 0.00 -0.03 0.00 0.00 56.01 54.52 3fyo n LEU 115 Cb 0.26 -0.19 0.90 0.00 -2.33 0.00 0.00 43.42 42.05 3fyo n LEU 115 CO 0.20 0.66 1.05 0.00 -1.33 0.00 0.00 177.39 177.97 3fyo h ALA 116 N 2.56 1.00 -0.28 -1.18 0.00 -1.08 -0.30 119.26 119.98 3fyo h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyo h ALA 116 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3fyo h ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3fyo n ARG 117 N -2.91 2.91 -2.84 0.00 1.74 -1.26 -4.92 116.66 109.38 3fyo n ARG 117 Ca -0.01 -2.66 -0.43 0.00 -0.77 0.00 0.00 57.85 53.98 3fyo n ARG 117 Cb 0.16 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 3fyo n ARG 117 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fyo s GLN 118 N -2.41 3.21 0.20 5.56 -1.52 -0.13 -4.93 119.66 119.65 3fyo s GLN 118 Ca 0.38 -0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 53.13 3fyo s GLN 118 Cb 0.29 -4.14 0.14 0.00 -0.22 0.00 0.00 33.01 29.07 3fyo s GLN 118 CO 0.10 -1.67 1.84 1.15 -0.25 0.00 0.00 175.29 176.46 3fyo h THR 119 N 5.99 1.21 -0.92 -0.19 2.02 -1.91 -1.70 112.91 117.40 3fyo h THR 119 Ca -0.28 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.48 3fyo h THR 119 Cb 1.07 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 3fyo h THR 119 CO 1.14 0.21 0.61 0.44 0.37 0.00 0.00 175.52 178.29 3fyo h ASP 120 N 0.98 1.01 0.23 4.18 3.32 -1.98 0.39 116.42 124.55 3fyo h ASP 120 Ca 0.26 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 57.07 3fyo h ASP 120 Cb -0.03 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.29 3fyo h ASP 120 CO -0.05 0.70 -0.91 0.25 -1.72 0.00 0.00 179.24 177.50 3fyo h LEU 121 N 1.17 0.62 -0.30 1.55 5.85 -1.72 -1.95 115.31 120.54 3fyo h LEU 121 Ca 0.36 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3fyo h LEU 121 Cb -0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3fyo h LEU 121 CO -0.10 1.27 0.14 0.58 -0.34 0.00 0.00 178.44 179.99 3fyo h VAL 122 N 0.29 1.15 -0.47 1.05 2.07 -0.70 0.14 116.25 119.78 3fyo h VAL 122 Ca -0.08 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3fyo h VAL 122 Cb 1.54 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3fyo h VAL 122 CO 0.16 0.15 0.16 0.58 0.02 0.00 0.00 177.57 178.64 3fyo h VAL 123 N 0.35 1.22 -0.57 2.57 2.07 -0.91 0.16 116.25 121.13 3fyo h VAL 123 Ca 0.10 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3fyo h VAL 123 Cb 0.11 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3fyo h VAL 123 CO -0.01 0.26 0.06 0.00 0.02 0.00 0.00 177.57 177.90 3fyo h ALA 124 N 1.01 1.04 -0.33 1.67 0.00 -1.15 -1.45 119.26 120.05 3fyo h ALA 124 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fyo h ALA 124 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fyo h ALA 124 CO -0.01 0.61 -0.00 0.52 0.00 0.00 0.00 179.25 180.37 3fyo h MET 125 N 0.87 0.59 -0.78 0.00 2.86 -0.50 -3.11 114.93 114.86 3fyo h MET 125 Ca 0.17 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3fyo h MET 125 Cb 0.43 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3fyo h MET 125 CO 0.01 0.72 0.48 0.00 1.06 0.00 0.00 176.91 179.18 3fyo h ALA 126 N 0.85 1.04 0.00 6.32 0.00 -0.52 -2.49 119.26 124.47 3fyo h ALA 126 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fyo h ALA 126 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fyo h ALA 126 CO 0.02 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3fyo n LYS 127 N -4.65 0.15 0.26 0.00 4.76 -0.59 -1.92 118.16 116.17 3fyo n LYS 127 Ca 0.10 0.38 0.14 0.00 -2.87 0.00 0.00 58.31 56.06 3fyo n LYS 127 Cb 0.13 -1.78 0.68 0.00 -1.84 0.00 0.00 35.03 32.22 3fyo n LYS 127 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fyo h THR 128 N 0.00 0.36 0.00 -0.18 1.35 -1.43 -3.46 112.91 109.55 3fyo h THR 128 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3fyo h THR 128 Cb 0.34 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3fyo h THR 128 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 3fyo n GLY 129 N -0.27 0.37 3.87 5.82 0.00 -0.81 -5.01 105.19 109.16 3fyo n GLY 129 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3fyo n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyo s ASN 130 N -2.23 6.01 0.28 1.61 2.47 -1.26 -5.00 114.94 116.82 3fyo s ASN 130 Ca 0.00 1.39 -0.30 0.00 0.42 0.00 0.00 52.86 54.38 3fyo s ASN 130 Cb 0.00 -2.39 -0.10 0.00 -1.45 0.00 0.00 41.25 37.31 3fyo s ASN 130 CO 0.00 -1.01 1.45 -0.69 -3.72 0.00 0.00 177.10 173.13 3fyo s VAL 131 N -3.19 2.52 -0.05 -5.21 1.01 -1.26 -4.80 120.40 109.42 3fyo s VAL 131 Ca 0.56 0.46 0.04 0.00 0.00 0.00 0.00 61.98 63.04 3fyo s VAL 131 Cb -0.11 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3fyo s VAL 131 CO 0.54 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.86 3fyo s VAL 132 N -0.29 1.46 -0.28 2.92 1.01 -0.40 -1.71 120.40 123.11 3fyo s VAL 132 Ca 0.58 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3fyo s VAL 132 Cb -0.43 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3fyo s VAL 132 CO 0.47 0.42 0.11 0.21 0.00 0.00 0.00 175.10 176.31 3fyo s ASN 133 N 0.11 5.32 -0.38 3.32 2.47 -0.19 -0.13 114.94 125.45 3fyo s ASN 133 Ca -0.06 -0.38 -0.15 0.00 0.42 0.00 0.00 52.86 52.69 3fyo s ASN 133 Cb -0.12 -1.95 0.01 0.00 -1.45 0.00 0.00 41.25 37.73 3fyo s ASN 133 CO 0.03 -0.11 0.32 -0.63 -3.72 0.00 0.00 177.10 172.98 3fyo s ILE 134 N 1.60 5.22 -0.13 -5.21 1.01 0.25 -0.28 121.20 123.67 3fyo s ILE 134 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 3fyo s ILE 134 Cb -0.16 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3fyo s ILE 134 CO 0.05 -0.21 1.01 -0.54 0.00 0.00 0.00 174.94 175.25 3fyo s LYS 135 N 1.83 4.39 -0.31 2.79 -0.14 -1.11 -0.76 119.74 126.44 3fyo s LYS 135 Ca 0.08 1.39 -0.29 0.00 -1.36 0.00 0.00 55.97 55.78 3fyo s LYS 135 Cb -0.18 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 3fyo s LYS 135 CO 0.11 -0.38 1.27 0.21 -0.76 0.00 0.00 175.35 175.80 3fyo s LYS 136 N 2.24 3.93 0.37 1.68 2.20 -0.30 -4.24 119.74 125.62 3fyo s LYS 136 Ca 0.48 1.21 -0.26 0.00 -0.36 0.00 0.00 55.97 57.03 3fyo s LYS 136 Cb -0.18 -3.86 -0.12 0.00 -1.51 0.00 0.00 37.83 32.17 3fyo s LYS 136 CO 0.16 -1.09 1.12 -2.30 -0.36 0.00 0.00 175.35 172.87 3fyo n PRO 137 N 7.26 1.64 0.31 4.03 -0.02 -1.26 -4.41 135.00 142.55 3fyo n PRO 137 Ca 0.14 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 3fyo n PRO 137 Cb 0.47 -2.11 1.02 0.00 -0.02 0.00 0.00 33.50 32.86 3fyo n PRO 137 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3fyo h GLN 138 N 1.99 0.00 -0.34 -0.52 3.07 -1.92 -1.56 115.11 115.82 3fyo h GLN 138 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 3fyo h GLN 138 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 3fyo h GLN 138 CO 0.60 0.00 0.00 1.97 0.09 0.00 0.00 178.83 181.49 3fyo n PHE 139 N -3.57 0.44 -4.19 0.06 1.16 -1.26 -1.65 117.46 108.46 3fyo n PHE 139 Ca -0.03 -0.22 -0.35 0.00 -1.87 0.00 0.00 57.45 54.98 3fyo n PHE 139 Cb 0.09 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 3fyo n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3fyo s LEU 140 N -1.51 3.70 0.65 5.98 0.20 -0.59 -5.04 118.68 122.07 3fyo s LEU 140 Ca 0.37 0.11 -0.13 0.00 0.69 0.00 0.00 54.13 55.17 3fyo s LEU 140 Cb 0.22 -1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 3fyo s LEU 140 CO 0.31 0.27 1.06 -0.94 -0.29 0.00 0.00 176.35 176.76 3fyo s SER 141 N -0.22 5.55 0.40 3.68 1.04 -1.26 -4.83 113.70 118.06 3fyo s SER 141 Ca 0.07 1.71 0.19 0.00 0.48 0.00 0.00 55.95 58.39 3fyo s SER 141 Cb -0.12 -2.51 0.85 0.00 0.10 0.00 0.00 66.02 64.34 3fyo s SER 141 CO 0.02 -1.32 1.83 1.55 0.98 0.00 0.00 173.24 176.29 3fyo h PRO 142 N -0.20 0.00 0.00 4.02 0.13 -1.97 -1.83 132.00 132.15 3fyo h PRO 142 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3fyo h PRO 142 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fyo h PRO 142 CO 0.57 0.32 0.00 -1.13 -0.23 0.00 0.00 178.00 177.53 3fyo n SER 143 N -3.72 0.00 -0.21 1.44 3.41 -1.26 -2.61 113.62 110.67 3fyo n SER 143 Ca -0.01 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3fyo n SER 143 Cb 0.42 -0.29 0.24 0.00 -0.26 0.00 0.00 64.21 64.31 3fyo n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fyo n GLN 144 N -1.29 0.63 0.24 4.33 3.00 -0.69 -4.13 117.38 119.47 3fyo n GLN 144 Ca 0.12 -0.42 0.09 0.00 -0.01 0.00 0.00 57.00 56.79 3fyo n GLN 144 Cb 0.22 -1.49 0.61 0.00 0.00 0.00 0.00 30.24 29.58 3fyo n GLN 144 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3fyo h MET 145 N 1.02 0.00 0.00 -1.09 2.86 -1.59 -2.42 114.93 113.71 3fyo h MET 145 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fyo h MET 145 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3fyo h MET 145 CO 0.00 0.17 -0.16 1.57 1.06 0.00 0.00 176.91 179.55 3fyo h LYS 146 N 0.00 0.00 -0.13 1.72 -0.00 -1.80 -1.71 116.57 114.65 3fyo h LYS 146 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.49 3fyo h LYS 146 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.60 3fyo h LYS 146 CO 0.02 0.16 -0.60 -0.91 -0.00 0.00 0.00 179.45 178.13 3fyo h ASN 147 N 0.00 0.51 -0.10 7.07 2.35 -1.72 0.04 115.58 123.74 3fyo h ASN 147 Ca -0.00 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 3fyo h ASN 147 Cb 0.42 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3fyo h ASN 147 CO 0.02 0.99 -0.14 0.40 -1.65 0.00 0.00 177.43 177.05 3fyo h ILE 148 N 0.33 1.38 -0.94 2.81 2.04 -1.51 -2.94 117.51 118.69 3fyo h ILE 148 Ca -0.00 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.52 3fyo h ILE 148 Cb 1.14 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3fyo h ILE 148 CO 0.11 0.39 0.62 -0.37 0.00 0.00 0.00 178.15 178.89 3fyo h VAL 149 N -0.17 1.17 -0.67 1.67 -1.51 -1.19 -1.76 116.25 113.78 3fyo h VAL 149 Ca 0.01 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 3fyo h VAL 149 Cb 0.69 -0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 29.69 3fyo h VAL 149 CO 0.03 0.22 0.37 -0.08 -1.23 0.00 0.00 177.57 176.88 3fyo h GLU 150 N 1.19 0.93 -0.23 5.19 4.22 -0.98 -0.05 114.58 124.85 3fyo h GLU 150 Ca 0.37 -0.10 -0.13 0.00 0.08 0.00 0.00 59.36 59.58 3fyo h GLU 150 Cb -0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3fyo h GLU 150 CO -0.11 0.68 -0.41 0.87 -2.18 0.00 0.00 179.01 177.86 3fyo h LYS 151 N 0.94 0.54 -0.40 1.92 1.57 -1.15 0.84 116.57 120.84 3fyo h LYS 151 Ca 0.24 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3fyo h LYS 151 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3fyo h LYS 151 CO -0.04 0.86 -0.11 0.74 -0.57 0.00 0.00 179.45 180.33 3fyo h PHE 152 N 0.44 0.87 -0.62 -1.35 -1.00 -1.04 -2.80 116.94 111.44 3fyo h PHE 152 Ca 0.04 -0.19 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 3fyo h PHE 152 Cb 0.91 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.23 3fyo h PHE 152 CO 0.04 0.91 0.22 0.45 -1.61 0.00 0.00 178.31 178.32 3fyo h HIS 153 N 0.58 0.97 -0.31 -0.55 3.86 -0.58 -1.64 115.15 117.49 3fyo h HIS 153 Ca 0.10 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3fyo h HIS 153 Cb 0.64 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3fyo h HIS 153 CO 0.05 0.78 0.19 0.93 0.86 0.00 0.00 177.93 180.75 3fyo h GLU 154 N 0.88 0.41 -0.16 2.45 5.08 -0.84 -0.19 114.58 122.20 3fyo h GLU 154 Ca 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3fyo h GLU 154 Cb 0.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3fyo h GLU 154 CO -0.01 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 3fyo n ALA 155 N -2.49 2.52 -0.29 3.43 0.00 -0.79 -4.95 120.51 117.94 3fyo n ALA 155 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3fyo n ALA 155 Cb 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3fyo n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyo n GLY 156 N 1.17 0.83 2.94 0.00 0.00 -0.08 -4.48 105.19 105.57 3fyo n GLY 156 Ca 0.17 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3fyo n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyo s ASN 157 N -2.23 2.24 0.00 1.61 3.84 -0.76 -4.98 114.94 114.67 3fyo s ASN 157 Ca 0.00 -0.34 0.06 0.00 0.21 0.00 0.00 52.86 52.79 3fyo s ASN 157 Cb 0.00 -0.91 0.16 0.00 -0.55 0.00 0.00 41.25 39.95 3fyo s ASN 157 CO 0.00 -0.09 1.10 0.61 -2.79 0.00 0.00 177.10 175.94 3fyo n GLY 158 N 4.77 2.54 3.01 1.21 0.00 -1.26 -3.56 105.19 111.91 3fyo n GLY 158 Ca -0.15 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3fyo n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyo n LYS 159 N 0.10 3.61 -5.28 1.61 5.02 -1.26 -4.95 118.16 117.00 3fyo n LYS 159 Ca 0.06 -3.66 -0.31 0.00 -2.02 0.00 0.00 58.31 52.38 3fyo n LYS 159 Cb 0.33 -2.93 -0.16 0.00 -0.02 0.00 0.00 35.03 32.26 3fyo n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fyo s LEU 160 N 0.11 2.09 -0.02 -0.35 1.43 -1.26 -1.27 118.68 119.41 3fyo s LEU 160 Ca 0.40 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 3fyo s LEU 160 Cb 0.06 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3fyo s LEU 160 CO 0.01 0.30 -0.17 -0.63 0.23 0.00 0.00 176.35 176.09 3fyo s ILE 161 N -0.49 2.87 -0.15 -0.59 1.01 0.81 -4.22 121.20 120.44 3fyo s ILE 161 Ca 0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3fyo s ILE 161 Cb -0.11 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 3fyo s ILE 161 CO 0.00 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 174.64 3fyo s LEU 162 N -0.94 3.10 -0.21 2.97 1.43 -0.40 -0.59 118.68 124.04 3fyo s LEU 162 Ca 0.12 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3fyo s LEU 162 Cb -0.11 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3fyo s LEU 162 CO 0.02 0.15 -0.16 0.00 0.23 0.00 0.00 176.35 176.59 3fyo s GLU 164 N 1.24 4.70 0.00 0.00 2.56 -0.41 -1.16 118.70 125.63 3fyo s GLU 164 Ca -0.00 1.55 0.00 0.00 0.00 0.00 0.00 54.97 56.52 3fyo s GLU 164 Cb -0.16 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.65 3fyo s GLU 164 CO -0.10 0.23 0.94 2.89 -0.56 0.00 0.00 175.26 178.66 3fyo n ARG 165 N 2.36 0.00 0.00 4.30 1.85 -1.26 -0.87 116.66 123.04 3fyo n ARG 165 Ca 0.01 -0.89 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 3fyo n ARG 165 Cb 0.48 -0.44 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 3fyo n ARG 165 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyo n GLY 166 N 0.00 0.66 3.14 2.89 0.00 -1.26 -3.88 105.19 106.74 3fyo n GLY 166 Ca 0.00 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.91 3fyo n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyo s SER 167 N -0.89 1.58 0.26 1.61 0.01 0.09 -4.00 113.70 112.36 3fyo s SER 167 Ca 0.00 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 3fyo s SER 167 Cb 0.00 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.04 3fyo s SER 167 CO 0.00 0.00 1.47 -0.44 0.41 0.00 0.00 173.24 174.68 3fyo s SER 168 N -1.23 6.59 -0.35 2.44 0.01 -0.66 -1.32 113.70 119.18 3fyo s SER 168 Ca 0.00 2.74 -0.01 0.00 1.31 0.00 0.00 55.95 59.99 3fyo s SER 168 Cb -0.08 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 63.65 3fyo s SER 168 CO 0.01 -0.74 0.19 0.12 0.41 0.00 0.00 173.24 173.23 3fyo s PHE 169 N -0.07 0.82 0.00 2.43 5.36 -0.66 -4.82 117.98 121.04 3fyo s PHE 169 Ca 0.60 -1.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 3fyo s PHE 169 Cb -0.43 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.19 3fyo s PHE 169 CO 0.45 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 3fyo n GLY 170 N 4.29 0.53 3.75 13.12 0.00 -1.26 -4.30 105.19 121.33 3fyo n GLY 170 Ca 0.07 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3fyo n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyo s TYR 171 N 0.00 3.69 -1.80 1.61 2.02 -1.26 -4.45 117.35 117.16 3fyo s TYR 171 Ca 0.00 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.98 3fyo s TYR 171 Cb 0.00 -2.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3fyo s TYR 171 CO 0.00 0.31 0.00 -0.25 -1.57 0.00 0.00 175.55 174.04 3fyo n ASP 172 N 2.83 -5.25 -3.98 2.29 8.00 -1.26 -4.94 116.55 114.25 3fyo n ASP 172 Ca -0.05 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.64 3fyo n ASP 172 Cb 0.51 -4.34 -0.10 0.00 -0.02 0.00 0.00 41.12 37.16 3fyo n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fyo s ASN 173 N -2.57 0.25 0.03 -2.24 2.47 -1.26 -5.07 114.94 106.54 3fyo s ASN 173 Ca 0.00 -0.56 0.08 0.00 0.42 0.00 0.00 52.86 52.79 3fyo s ASN 173 Cb 0.00 0.15 -0.02 0.00 -1.45 0.00 0.00 41.25 39.93 3fyo s ASN 173 CO 0.00 -0.40 -0.23 -0.76 -3.72 0.00 0.00 177.10 171.99 3fyo s LEU 174 N -1.84 2.14 0.01 3.21 1.43 -1.26 -1.65 118.68 120.71 3fyo s LEU 174 Ca -0.10 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3fyo s LEU 174 Cb -0.05 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3fyo s LEU 174 CO -0.03 0.22 -0.18 0.54 0.23 0.00 0.00 176.35 177.13 3fyo s VAL 175 N -0.73 1.40 -0.30 -1.59 0.11 -0.44 -4.90 120.40 113.95 3fyo s VAL 175 Ca 0.09 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.13 3fyo s VAL 175 Cb -0.09 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 3fyo s VAL 175 CO 0.01 0.30 0.32 -0.69 -3.33 0.00 0.00 175.10 171.71 3fyo s VAL 176 N -0.54 5.21 -0.58 2.04 1.01 -1.26 -0.73 120.40 125.54 3fyo s VAL 176 Ca 0.06 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 3fyo s VAL 176 Cb -0.07 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3fyo s VAL 176 CO 0.00 0.08 1.07 -0.62 0.00 0.00 0.00 175.10 175.64 3fyo s ASP 177 N 1.71 6.36 0.41 3.32 -1.08 -1.26 -4.89 116.67 121.24 3fyo s ASP 177 Ca 0.12 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.23 3fyo s ASP 177 Cb -0.16 -2.49 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 3fyo s ASP 177 CO 0.11 -1.39 1.88 0.24 0.52 0.00 0.00 175.17 176.53 3fyo h MET 178 N 9.47 0.00 0.00 4.34 2.86 -1.99 0.15 114.93 129.76 3fyo h MET 178 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3fyo h MET 178 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3fyo h MET 178 CO 1.15 0.00 0.00 -0.07 1.06 0.00 0.00 176.91 179.05 3fyo h LEU 179 N 0.00 0.00 -1.32 1.22 3.38 -2.02 -3.29 115.31 113.28 3fyo h LEU 179 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3fyo h LEU 179 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fyo h LEU 179 CO 0.00 0.00 -0.34 1.23 0.09 0.00 0.00 178.44 179.42 3fyo h GLY 180 N 3.90 0.01 0.97 0.83 0.00 -1.37 -2.89 103.07 104.52 3fyo h GLY 180 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3fyo h GLY 180 CO 0.00 0.01 0.10 0.74 0.00 0.00 0.00 176.54 177.38 3fyo h PHE 181 N 0.01 0.22 -0.64 5.60 -1.00 -1.72 -1.45 116.94 117.96 3fyo h PHE 181 Ca -0.00 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 3fyo h PHE 181 Cb 0.60 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 3fyo h PHE 181 CO 0.00 0.18 0.10 0.78 -1.61 0.00 0.00 178.31 177.76 3fyo h GLY 182 N 0.19 1.14 0.94 -1.45 0.00 -1.76 -0.87 103.07 101.26 3fyo h GLY 182 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.65 3fyo h GLY 182 CO -0.01 0.71 0.56 -2.08 0.00 0.00 0.00 176.54 175.72 3fyo h VAL 183 N 0.98 1.18 -0.43 4.60 2.07 -1.30 -0.70 116.25 122.65 3fyo h VAL 183 Ca 0.19 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3fyo h VAL 183 Cb 0.44 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3fyo h VAL 183 CO 0.01 0.20 0.09 0.24 0.02 0.00 0.00 177.57 178.14 3fyo h MET 184 N 1.12 0.70 -0.79 1.57 2.86 -0.81 -1.40 114.93 118.18 3fyo h MET 184 Ca 0.33 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 3fyo h MET 184 Cb -0.06 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.45 3fyo h MET 184 CO -0.09 0.72 0.48 0.87 1.06 0.00 0.00 176.91 179.94 3fyo h LYS 185 N 0.57 0.86 0.00 1.72 1.57 -0.80 -1.59 116.57 118.90 3fyo h LYS 185 Ca 0.13 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 3fyo h LYS 185 Cb 0.34 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3fyo h LYS 185 CO 0.00 0.57 -0.98 0.37 -0.57 0.00 0.00 179.45 178.85 3fyo h GLN 186 N 0.88 0.00 0.00 3.15 5.75 -0.88 0.60 115.11 124.61 3fyo h GLN 186 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 3fyo h GLN 186 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3fyo h GLN 186 CO -0.16 0.64 -1.26 0.25 -2.65 0.00 0.00 178.83 175.65 3fyo n THR 187 N -3.19 0.03 -1.12 2.39 -2.24 -0.55 -4.47 114.28 105.12 3fyo n THR 187 Ca -0.03 -0.17 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3fyo n THR 187 Cb 0.86 0.58 0.15 0.00 -2.10 0.00 0.00 70.33 69.83 3fyo n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyo n GLY 189 N -1.35 0.35 3.00 0.00 0.00 -1.22 -3.42 105.19 102.55 3fyo n GLY 189 Ca 0.17 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3fyo n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fyo n ASN 190 N 1.08 -4.93 -4.65 1.61 5.15 0.20 -4.12 115.26 109.60 3fyo n ASN 190 Ca -0.06 -0.22 -0.33 0.00 -0.60 0.00 0.00 54.58 53.37 3fyo n ASN 190 Cb 0.43 -4.05 0.13 0.00 -0.53 0.00 0.00 39.78 35.77 3fyo n ASN 190 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fyo n LEU 191 N -3.65 3.58 -4.69 1.20 4.77 -1.22 -0.74 117.00 116.26 3fyo n LEU 191 Ca -0.10 0.53 -0.44 0.00 -0.03 0.00 0.00 56.01 55.97 3fyo n LEU 191 Cb 0.60 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 3fyo n LEU 191 CO 0.42 -2.05 1.41 -2.65 -1.33 0.00 0.00 177.39 173.20 3fyo n PRO 192 N -3.23 2.55 -4.23 3.23 -0.02 -1.25 -4.85 135.00 127.20 3fyo n PRO 192 Ca 0.12 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 62.19 3fyo n PRO 192 Cb 0.51 -2.78 -0.12 0.00 -0.02 0.00 0.00 33.50 31.09 3fyo n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fyo s VAL 193 N 2.44 4.09 0.35 -1.45 1.01 -1.26 -1.28 120.40 124.31 3fyo s VAL 193 Ca 0.83 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3fyo s VAL 193 Cb -0.56 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3fyo s VAL 193 CO 0.39 0.47 -0.02 0.27 0.00 0.00 0.00 175.10 176.21 3fyo s ILE 194 N 0.55 1.83 -0.19 2.22 -4.36 0.05 -1.34 121.20 119.95 3fyo s ILE 194 Ca -0.01 -2.07 -0.00 0.00 -0.26 0.00 0.00 60.65 58.30 3fyo s ILE 194 Cb -0.14 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.85 3fyo s ILE 194 CO 0.02 -0.11 -0.04 0.12 0.24 0.00 0.00 174.94 175.18 3fyo s PHE 195 N -2.86 1.82 -0.92 1.37 5.36 -0.84 -1.29 117.98 120.63 3fyo s PHE 195 Ca 0.34 -1.27 -0.20 0.00 -0.96 0.00 0.00 56.93 54.83 3fyo s PHE 195 Cb 0.07 -1.36 0.11 0.00 -0.34 0.00 0.00 43.02 41.50 3fyo s PHE 195 CO 0.16 -0.67 1.18 0.34 -1.46 0.00 0.00 175.22 174.77 3fyo s ASP 196 N 1.59 6.55 0.21 6.13 -1.08 -0.05 -0.63 116.67 129.39 3fyo s ASP 196 Ca -0.02 -1.79 0.08 0.00 -0.52 0.00 0.00 52.55 50.30 3fyo s ASP 196 Cb -0.17 -2.44 0.13 0.00 -1.46 0.00 0.00 42.92 38.98 3fyo s ASP 196 CO -0.07 -1.21 1.47 0.58 0.52 0.00 0.00 175.17 176.47 3fyo h VAL 197 N 6.06 1.53 -0.20 1.11 2.07 -1.71 -2.80 116.25 122.30 3fyo h VAL 197 Ca 0.12 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 3fyo h VAL 197 Cb 1.03 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 3fyo h VAL 197 CO 1.18 0.74 0.10 0.74 0.02 0.00 0.00 177.57 180.35 3fyo h THR 198 N 0.03 1.12 -0.00 2.57 2.02 -1.89 -2.23 112.91 114.53 3fyo h THR 198 Ca -0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3fyo h THR 198 Cb 1.36 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3fyo h THR 198 CO 0.10 0.12 -0.17 1.41 0.37 0.00 0.00 175.52 177.35 3fyo n HIS 199 N -4.88 0.00 0.26 3.16 8.25 -1.22 -3.18 115.22 117.62 3fyo n HIS 199 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3fyo n HIS 199 Cb 0.09 -0.24 0.14 0.00 1.12 0.00 0.00 29.99 31.09 3fyo n HIS 199 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3fyo h SER 200 N 0.42 0.00 -0.13 0.41 0.02 -1.13 -3.46 113.55 109.69 3fyo h SER 200 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3fyo h SER 200 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3fyo h SER 200 CO 0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 3fyo n LEU 201 N -2.77 0.00 -0.12 5.07 4.77 -1.07 -4.80 117.00 118.08 3fyo n LEU 201 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3fyo n LEU 201 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3fyo n LEU 201 CO 0.36 0.00 0.17 0.54 -1.33 0.00 0.00 177.39 177.13 3fyo n ARG 215 N 0.00 0.00 0.29 3.23 5.12 -1.26 -5.00 116.66 119.03 3fyo n ARG 215 Ca 0.00 -0.35 0.18 0.00 -1.93 0.00 0.00 57.85 55.75 3fyo n ARG 215 Cb 0.00 -0.28 0.91 0.00 -1.16 0.00 0.00 32.46 31.93 3fyo n ARG 215 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fyo h ALA 216 N 0.00 1.43 -0.26 7.54 0.00 -2.06 -2.90 119.26 123.01 3fyo h ALA 216 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fyo h ALA 216 Cb 1.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fyo h ALA 216 CO 0.00 -0.28 0.01 1.96 0.00 0.00 0.00 179.25 180.94 3fyo h GLN 217 N 0.00 0.46 -0.88 0.00 4.20 -2.05 -1.74 115.11 115.10 3fyo h GLN 217 Ca 0.04 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.69 3fyo h GLN 217 Cb 0.52 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 3fyo h GLN 217 CO -0.00 0.62 0.53 0.00 -0.67 0.00 0.00 178.83 179.31 3fyo h ALA 218 N 0.82 1.25 -0.26 3.87 0.00 -1.92 -0.93 119.26 122.10 3fyo h ALA 218 Ca 0.08 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3fyo h ALA 218 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fyo h ALA 218 CO 0.01 0.21 -0.59 1.25 0.00 0.00 0.00 179.25 180.13 3fyo h LEU 219 N 0.92 0.96 -0.21 0.00 5.85 -1.52 -1.20 115.31 120.09 3fyo h LEU 219 Ca 0.41 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3fyo h LEU 219 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3fyo h LEU 219 CO -0.22 1.33 -0.01 0.44 -0.34 0.00 0.00 178.44 179.64 3fyo h ASP 220 N 0.64 0.38 -0.47 1.25 5.19 -1.08 -0.94 116.42 121.39 3fyo h ASP 220 Ca 0.00 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 3fyo h ASP 220 Cb 1.20 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 3fyo h ASP 220 CO 0.13 0.62 0.14 0.25 -3.12 0.00 0.00 179.24 177.25 3fyo h LEU 221 N 0.14 0.69 -0.54 1.55 5.85 -1.17 -0.94 115.31 120.89 3fyo h LEU 221 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3fyo h LEU 221 Cb 0.43 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3fyo h LEU 221 CO 0.01 0.72 0.28 0.00 -0.34 0.00 0.00 178.44 179.12 3fyo h ALA 222 N 1.00 0.70 -0.50 1.25 0.00 -1.10 -1.66 119.26 118.93 3fyo h ALA 222 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3fyo h ALA 222 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fyo h ALA 222 CO -0.00 0.23 0.16 -0.07 0.00 0.00 0.00 179.25 179.57 3fyo h LEU 223 N 0.73 0.74 -0.53 0.00 3.38 -1.04 -1.43 115.31 117.15 3fyo h LEU 223 Ca 0.19 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fyo h LEU 223 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3fyo h LEU 223 CO -0.03 0.75 0.32 0.00 0.09 0.00 0.00 178.44 179.57 3fyo h ALA 224 N 1.02 0.69 -0.20 1.53 0.00 -1.02 -1.55 119.26 119.72 3fyo h ALA 224 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3fyo h ALA 224 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fyo h ALA 224 CO -0.00 0.02 0.06 0.78 0.00 0.00 0.00 179.25 180.11 3fyo h GLY 225 N 0.63 0.33 2.00 0.00 0.00 -1.05 -2.95 103.07 102.02 3fyo h GLY 225 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3fyo h GLY 225 CO -0.10 0.19 0.00 -0.33 0.00 0.00 0.00 176.54 176.30 3fyo h MET 226 N 0.14 0.00 0.00 4.80 2.86 -1.09 -1.72 114.93 119.92 3fyo h MET 226 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3fyo h MET 226 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3fyo h MET 226 CO -0.00 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 177.95 3fyo h ALA 227 N 2.03 1.07 -0.09 6.32 0.00 -1.10 -2.20 119.26 125.30 3fyo h ALA 227 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fyo h ALA 227 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fyo h ALA 227 CO 0.00 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.53 3fyo n THR 228 N -3.22 0.10 -1.55 0.00 -2.24 -0.65 -4.98 114.28 101.75 3fyo n THR 228 Ca -0.02 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3fyo n THR 228 Cb 0.18 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3fyo n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fyo n ARG 229 N -0.04 -0.10 -4.37 -0.78 0.63 -0.83 -4.95 116.66 106.22 3fyo n ARG 229 Ca 0.17 0.57 -0.24 0.00 -0.92 0.00 0.00 57.85 57.42 3fyo n ARG 229 Cb 0.27 -1.45 -0.12 0.00 0.45 0.00 0.00 32.46 31.61 3fyo n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fyo s LEU 230 N -0.66 2.43 0.41 6.15 1.43 -1.26 -4.89 118.68 122.29 3fyo s LEU 230 Ca 0.01 -0.85 0.19 0.00 -1.03 0.00 0.00 54.13 52.45 3fyo s LEU 230 Cb -0.00 -1.00 0.85 0.00 0.03 0.00 0.00 46.19 46.07 3fyo s LEU 230 CO 0.03 0.05 1.82 0.00 0.23 0.00 0.00 176.35 178.48 3fyo h ALA 231 N 3.29 1.12 -1.83 4.21 0.00 -1.34 -3.43 119.26 121.29 3fyo h ALA 231 Ca -0.44 -0.29 0.22 0.00 0.00 0.00 0.00 54.91 54.40 3fyo h ALA 231 Cb 1.21 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 3fyo h ALA 231 CO 0.49 0.40 0.68 0.20 0.00 0.00 0.00 179.25 181.01 3fyo s GLY 232 N -4.31 -0.35 -0.02 0.00 0.00 -1.23 -1.50 107.32 99.91 3fyo s GLY 232 Ca -0.01 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.70 3fyo s GLY 232 CO 0.67 0.29 -0.10 -2.27 0.00 0.00 0.00 173.10 171.69 3fyo s LEU 233 N -2.59 1.83 -0.16 0.66 2.96 -0.55 -1.99 118.68 118.84 3fyo s LEU 233 Ca 0.10 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3fyo s LEU 233 Cb 0.00 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 46.15 3fyo s LEU 233 CO -0.04 0.08 -0.11 0.12 -1.32 0.00 0.00 176.35 175.08 3fyo s PHE 234 N 0.12 2.07 0.10 5.38 5.99 0.20 -0.41 117.98 131.44 3fyo s PHE 234 Ca -0.02 -1.24 -0.10 0.00 0.00 0.00 0.00 56.93 55.57 3fyo s PHE 234 Cb -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 43.02 41.43 3fyo s PHE 234 CO 0.00 -0.66 0.23 -0.48 -0.00 0.00 0.00 175.22 174.31 3fyo s LEU 235 N 1.51 1.24 0.02 6.12 0.05 0.50 -2.17 118.68 125.96 3fyo s LEU 235 Ca 0.03 -0.63 0.08 0.00 0.05 0.00 0.00 54.13 53.66 3fyo s LEU 235 Cb -0.14 1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 45.13 3fyo s LEU 235 CO -0.09 -0.76 -0.22 -1.61 -0.55 0.00 0.00 176.35 173.11 3fyo s GLU 236 N -3.86 2.02 0.31 1.48 2.02 -1.26 -2.27 118.70 117.14 3fyo s GLU 236 Ca 0.06 -0.99 0.10 0.00 0.02 0.00 0.00 54.97 54.15 3fyo s GLU 236 Cb 0.04 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 3fyo s GLU 236 CO -0.10 0.54 -0.12 -1.12 0.02 0.00 0.00 175.26 174.48 3fyo s SER 237 N -1.13 3.50 -0.02 -0.19 0.01 -0.61 -1.82 113.70 113.44 3fyo s SER 237 Ca 0.12 -1.14 0.08 0.00 1.31 0.00 0.00 55.95 56.32 3fyo s SER 237 Cb -0.10 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 3fyo s SER 237 CO 0.02 -0.15 -0.26 -1.38 0.41 0.00 0.00 173.24 171.89 3fyo s HIS 238 N -2.65 2.34 -0.43 2.43 -3.43 -0.77 -4.63 115.29 108.15 3fyo s HIS 238 Ca 0.31 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 3fyo s HIS 238 Cb 0.00 -1.50 0.00 0.00 -1.43 0.00 0.00 32.58 29.65 3fyo s HIS 238 CO 0.15 -0.02 0.14 -2.30 -2.00 0.00 0.00 174.74 170.71 3fyo n PRO 239 N 2.40 0.18 -1.64 -0.38 -0.02 -1.26 -1.47 135.00 132.81 3fyo n PRO 239 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3fyo n PRO 239 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3fyo n PRO 239 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fyo n ALA 251 N 0.69 -2.19 -1.77 3.55 0.00 -1.26 -4.83 120.51 114.71 3fyo n ALA 251 Ca 0.00 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 3fyo n ALA 251 Cb 0.07 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 3fyo n ALA 251 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fyo s LEU 252 N -1.50 4.36 0.16 0.00 2.96 -0.76 -4.89 118.68 119.01 3fyo s LEU 252 Ca 0.00 2.31 -0.31 0.00 -0.22 0.00 0.00 54.13 55.90 3fyo s LEU 252 Cb 0.00 -3.84 -0.10 0.00 0.50 0.00 0.00 46.19 42.76 3fyo s LEU 252 CO 0.00 -0.41 1.51 -2.84 -1.32 0.00 0.00 176.35 173.29 3fyo s PRO 253 N -1.92 4.25 0.38 0.98 0.02 -1.26 -1.84 135.00 135.60 3fyo s PRO 253 Ca 0.51 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.88 3fyo s PRO 253 Cb -0.31 -3.17 0.79 0.00 0.02 0.00 0.00 34.50 31.83 3fyo s PRO 253 CO 0.40 -0.54 1.97 1.25 -0.33 0.00 0.00 177.00 179.74 3fyo h LEU 254 N 6.63 0.61 -0.33 -5.54 5.85 -1.58 -1.80 115.31 119.14 3fyo h LEU 254 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3fyo h LEU 254 Cb 1.21 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3fyo h LEU 254 CO 0.89 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.38 3fyo n HIS 255 N -4.48 0.60 0.56 1.25 1.44 -1.26 -2.28 115.22 111.06 3fyo n HIS 255 Ca 0.10 0.21 0.12 0.00 -2.01 0.00 0.00 57.72 56.14 3fyo n HIS 255 Cb 0.24 -0.85 0.22 0.00 0.12 0.00 0.00 29.99 29.72 3fyo n HIS 255 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3fyo n LEU 256 N -2.03 3.16 -0.07 2.39 4.77 -0.68 -4.50 117.00 120.05 3fyo n LEU 256 Ca 0.04 -1.30 -0.07 0.00 -0.03 0.00 0.00 56.01 54.65 3fyo n LEU 256 Cb 0.28 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3fyo n LEU 256 CO 0.22 0.65 0.78 0.25 -1.33 0.00 0.00 177.39 177.95 3fyo h LEU 257 N 4.26 -0.41 -0.56 2.23 5.85 -1.54 -1.83 115.31 123.32 3fyo h LEU 257 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fyo h LEU 257 Cb 0.93 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3fyo h LEU 257 CO 0.00 -0.15 0.31 -0.08 -0.34 0.00 0.00 178.44 178.17 3fyo h GLU 258 N -0.08 0.79 -0.73 1.25 4.81 -1.83 -0.27 114.58 118.52 3fyo h GLU 258 Ca 0.14 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3fyo h GLU 258 Cb 0.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3fyo h GLU 258 CO -0.32 0.61 0.28 0.22 -0.73 0.00 0.00 179.01 179.07 3fyo h ASP 259 N 0.76 1.02 -0.08 1.04 3.58 -1.82 -0.94 116.42 119.98 3fyo h ASP 259 Ca 0.20 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3fyo h ASP 259 Cb 0.05 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 3fyo h ASP 259 CO -0.03 0.92 0.04 0.15 -2.88 0.00 0.00 179.24 177.44 3fyo h PHE 260 N 1.06 0.11 -0.05 0.28 3.57 -0.71 -3.07 116.94 118.14 3fyo h PHE 260 Ca 0.24 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 3fyo h PHE 260 Cb 0.23 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fyo h PHE 260 CO 0.02 0.19 -0.57 -0.07 -2.23 0.00 0.00 178.31 175.65 3fyo h LEU 261 N 0.00 0.17 -0.84 0.59 3.38 -0.82 -2.18 115.31 115.62 3fyo h LEU 261 Ca 0.03 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fyo h LEU 261 Cb 0.12 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3fyo h LEU 261 CO -0.00 0.70 0.53 0.40 0.09 0.00 0.00 178.44 180.17 3fyo h ILE 262 N 0.12 1.12 -0.22 1.22 2.04 -1.16 0.12 117.51 120.75 3fyo h ILE 262 Ca -0.00 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.31 3fyo h ILE 262 Cb 1.04 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3fyo h ILE 262 CO 0.08 0.19 -0.63 0.03 0.00 0.00 0.00 178.15 177.82 3fyo h ARG 263 N 1.03 0.79 -0.36 2.37 3.08 -1.34 -1.87 114.38 118.09 3fyo h ARG 263 Ca 0.34 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3fyo h ARG 263 Cb 0.02 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3fyo h ARG 263 CO -0.12 1.17 0.04 0.82 -1.07 0.00 0.00 179.97 180.82 3fyo h ILE 264 N 0.58 1.24 -0.75 2.04 1.08 -1.17 -2.72 117.51 117.82 3fyo h ILE 264 Ca -0.01 -0.88 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 3fyo h ILE 264 Cb 1.24 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 3fyo h ILE 264 CO 0.13 0.29 0.38 0.50 -0.69 0.00 0.00 178.15 178.77 3fyo h LYS 265 N 0.43 1.05 -0.03 2.37 3.64 -0.73 0.09 116.57 123.39 3fyo h LYS 265 Ca 0.11 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3fyo h LYS 265 Cb 0.38 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3fyo h LYS 265 CO 0.01 0.79 -0.08 0.00 -2.27 0.00 0.00 179.45 177.90 3fyo h ALA 266 N 1.37 -0.06 -0.34 5.00 0.00 -1.12 0.13 119.26 124.23 3fyo h ALA 266 Ca 0.26 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3fyo h ALA 266 Cb 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fyo h ALA 266 CO -0.04 -0.57 -0.02 1.25 0.00 0.00 0.00 179.25 179.87 3fyo h LEU 267 N -0.13 0.61 -0.45 0.00 6.46 -1.17 -2.49 115.31 118.14 3fyo h LEU 267 Ca 0.04 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 3fyo h LEU 267 Cb 0.19 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 3fyo h LEU 267 CO -0.11 0.79 0.27 -0.78 -0.62 0.00 0.00 178.44 177.99 3fyo h ASP 268 N 0.42 0.54 -0.88 1.25 3.58 -0.79 -0.69 116.42 119.85 3fyo h ASP 268 Ca 0.09 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3fyo h ASP 268 Cb 0.49 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 3fyo h ASP 268 CO 0.02 0.44 0.55 0.44 -2.88 0.00 0.00 179.24 177.81 3fyo h ASP 269 N 0.60 1.04 0.25 2.28 3.32 -0.94 -0.33 116.42 122.64 3fyo h ASP 269 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3fyo h ASP 269 Cb -0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3fyo h ASP 269 CO -0.03 0.78 -0.12 0.25 -1.72 0.00 0.00 179.24 178.40 3fyo h LEU 270 N 1.20 -0.29 -0.30 1.55 5.85 -0.99 -2.37 115.31 119.96 3fyo h LEU 270 Ca 0.32 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3fyo h LEU 270 Cb -0.08 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3fyo h LEU 270 CO -0.06 -0.09 0.15 0.40 -0.34 0.00 0.00 178.44 178.50 3fyo h ILE 271 N -0.48 1.14 0.00 4.05 1.08 -0.92 -2.24 117.51 120.15 3fyo h ILE 271 Ca -0.03 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3fyo h ILE 271 Cb 0.36 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3fyo h ILE 271 CO 0.06 0.15 -0.08 0.11 -0.69 0.00 0.00 178.15 177.70 3fyo h LYS 272 N 0.35 0.00 0.00 2.37 1.79 -1.11 -2.50 116.57 117.47 3fyo h LYS 272 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3fyo h LYS 272 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3fyo h LYS 272 CO -0.01 0.08 -0.12 -1.13 -1.08 0.00 0.00 179.45 177.18 3fyo n SER 273 N -3.23 0.32 -4.75 0.86 3.41 -0.85 -4.74 113.62 104.63 3fyo n SER 273 Ca -0.00 0.38 -0.36 0.00 -0.26 0.00 0.00 58.87 58.64 3fyo n SER 273 Cb 0.32 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 3fyo n SER 273 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fyo s GLN 274 N -3.04 3.19 0.42 4.33 -0.21 -0.94 -5.09 119.66 118.31 3fyo s GLN 274 Ca 0.12 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 54.95 3fyo s GLN 274 Cb 0.17 -2.95 -0.08 0.00 1.00 0.00 0.00 33.01 31.14 3fyo s GLN 274 CO 0.58 0.71 1.26 -1.25 -2.12 0.00 0.00 175.29 174.48 3fyo s PRO 275 N -0.89 3.91 0.27 2.91 0.04 -1.26 -4.96 135.00 135.02 3fyo s PRO 275 Ca 0.13 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 3fyo s PRO 275 Cb -0.12 -2.67 -0.14 0.00 0.04 0.00 0.00 34.50 31.62 3fyo s PRO 275 CO 0.03 -0.51 1.23 -0.89 0.04 0.00 0.00 177.00 176.90 3fyo n ILE 276 N -0.03 1.50 -3.82 0.56 5.41 -1.26 -4.99 119.36 116.73 3fyo n ILE 276 Ca 0.05 -0.37 -0.36 0.00 1.00 0.00 0.00 62.75 63.06 3fyo n ILE 276 Cb 0.45 -1.26 -0.13 0.00 -0.71 0.00 0.00 39.64 37.98 3fyo n ILE 276 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3fyo s LEU 277 N 0.01 3.20 -0.02 1.39 2.96 -1.26 -5.09 118.68 119.87 3fyo s LEU 277 Ca 0.63 -0.30 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 3fyo s LEU 277 Cb -0.68 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3fyo s LEU 277 CO 0.56 -0.03 0.78 -0.89 -1.32 0.00 0.00 176.35 175.45 3fyo s THR 278 N 1.55 4.90 -0.02 3.68 2.01 -1.26 -5.07 115.64 121.44 3fyo s THR 278 Ca 0.06 1.63 0.04 0.00 0.31 0.00 0.00 61.69 63.73 3fyo s THR 278 Cb -0.15 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3fyo s THR 278 CO 0.00 0.27 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 3fyo s ILE 279 N 0.55 3.18 -2.00 1.82 1.01 -1.26 -5.34 121.20 119.16 3fyo s ILE 279 Ca 0.41 -0.82 0.21 0.00 0.00 0.00 0.00 60.65 60.45 3fyo s ILE 279 Cb -0.19 -2.30 0.61 0.00 0.01 0.00 0.00 42.46 40.58 3fyo s ILE 279 CO 0.22 0.49 1.66 -0.62 0.00 0.00 0.00 174.94 176.69