#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyp s ASP 2 N 0.00 6.46 -0.12 6.12 1.01 -1.26 -3.84 116.67 125.03 3fyp s ASP 2 Ca 0.00 0.70 0.01 0.00 0.71 0.00 0.00 52.55 53.97 3fyp s ASP 2 Cb 0.00 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3fyp s ASP 2 CO 0.00 -0.16 -0.14 -0.63 0.21 0.00 0.00 175.17 174.45 3fyp s ILE 3 N -2.03 1.46 -0.11 0.77 1.01 0.13 -4.99 121.20 117.45 3fyp s ILE 3 Ca 0.44 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 60.20 3fyp s ILE 3 Cb -0.11 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3fyp s ILE 3 CO 0.29 0.44 0.95 -0.54 0.00 0.00 0.00 174.94 176.07 3fyp s LYS 4 N 1.17 4.40 -0.47 2.79 -0.14 -1.26 -1.20 119.74 125.02 3fyp s LYS 4 Ca -0.03 1.28 0.03 0.00 -1.36 0.00 0.00 55.97 55.89 3fyp s LYS 4 Cb -0.14 -3.54 0.13 0.00 -1.68 0.00 0.00 37.83 32.60 3fyp s LYS 4 CO -0.04 -0.29 0.24 0.42 -0.76 0.00 0.00 175.35 174.91 3fyp s ILE 5 N 1.94 2.07 0.00 2.17 1.01 -0.20 -4.99 121.20 123.19 3fyp s ILE 5 Ca 0.45 -2.92 0.00 0.00 0.00 0.00 0.00 60.65 58.18 3fyp s ILE 5 Cb -0.18 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3fyp s ILE 5 CO 0.17 -0.82 0.00 0.59 0.00 0.00 0.00 174.94 174.88 3fyp n ASN 6 N 3.39 0.00 -0.51 3.58 5.03 -1.26 -2.09 115.26 123.40 3fyp n ASN 6 Ca 0.06 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.63 3fyp n ASN 6 Cb 0.34 0.00 0.44 0.00 -1.02 0.00 0.00 39.78 39.54 3fyp n ASN 6 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3fyp n ASP 7 N 8.49 1.54 -4.74 6.41 3.85 -1.26 -4.85 116.55 125.99 3fyp n ASP 7 Ca 0.00 -1.62 -0.36 0.00 -0.71 0.00 0.00 54.79 52.10 3fyp n ASP 7 Cb 0.00 -0.07 -0.07 0.00 -1.35 0.00 0.00 41.12 39.63 3fyp n ASP 7 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3fyp s ILE 8 N -1.87 5.34 -0.31 2.12 1.01 -0.89 -5.06 121.20 121.54 3fyp s ILE 8 Ca 0.34 0.44 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 3fyp s ILE 8 Cb 0.19 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3fyp s ILE 8 CO 0.29 0.43 0.17 -0.89 0.00 0.00 0.00 174.94 174.93 3fyp s THR 9 N 0.27 4.75 -0.28 2.92 2.01 -1.26 -1.03 115.64 123.02 3fyp s THR 9 Ca 0.14 -0.33 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 3fyp s THR 9 Cb -0.13 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 3fyp s THR 9 CO 0.03 0.08 0.08 -0.22 -0.69 0.00 0.00 174.62 173.90 3fyp s LEU 10 N 1.64 3.75 0.05 4.42 2.96 -0.34 -4.78 118.68 126.38 3fyp s LEU 10 Ca 0.05 -0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 53.11 3fyp s LEU 10 Cb -0.17 -1.90 0.09 0.00 0.50 0.00 0.00 46.19 44.72 3fyp s LEU 10 CO 0.07 -0.15 1.05 -0.83 -1.32 0.00 0.00 176.35 175.17 3fyp s GLY 11 N 1.54 -0.33 0.00 7.98 0.00 -1.26 -0.69 107.32 114.56 3fyp s GLY 11 Ca 0.04 0.58 0.18 0.00 0.00 0.00 0.00 44.72 45.51 3fyp s GLY 11 CO 0.03 0.14 1.56 0.70 0.00 0.00 0.00 173.10 175.53 3fyp n ASN 12 N -0.40 0.00 -0.45 1.64 3.02 -1.26 -1.31 115.26 116.50 3fyp n ASN 12 Ca -0.07 0.46 0.07 0.00 -0.03 0.00 0.00 54.58 55.01 3fyp n ASN 12 Cb 0.61 -0.48 0.16 0.00 -0.61 0.00 0.00 39.78 39.46 3fyp n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fyp n ASN 13 N -1.48 1.83 -4.64 6.41 5.15 -1.26 -4.25 115.26 117.01 3fyp n ASN 13 Ca 0.05 -3.36 -0.23 0.00 -0.60 0.00 0.00 54.58 50.43 3fyp n ASN 13 Cb 0.20 -0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 38.92 3fyp n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3fyp s SER 14 N -2.90 4.55 0.23 1.20 0.01 -0.43 -5.05 113.70 111.30 3fyp s SER 14 Ca 0.33 -0.63 -0.31 0.00 1.31 0.00 0.00 55.95 56.65 3fyp s SER 14 Cb 0.32 -0.85 -0.14 0.00 0.21 0.00 0.00 66.02 65.56 3fyp s SER 14 CO -0.03 0.01 1.40 -2.65 0.41 0.00 0.00 173.24 172.37 3fyp n PRO 15 N -0.84 1.97 -1.72 12.44 -0.02 -1.26 -4.78 135.00 140.79 3fyp n PRO 15 Ca -0.07 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 3fyp n PRO 15 Cb 0.59 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3fyp n PRO 15 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3fyp n PHE 16 N 1.93 2.17 -4.10 6.00 1.16 -1.26 -4.84 117.46 118.53 3fyp n PHE 16 Ca 0.12 0.46 -0.34 0.00 -1.87 0.00 0.00 57.45 55.82 3fyp n PHE 16 Cb 0.31 -2.37 -0.10 0.00 -1.61 0.00 0.00 39.48 35.71 3fyp n PHE 16 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3fyp s VAL 17 N -1.25 4.63 -0.18 1.97 1.01 -0.75 -4.16 120.40 121.67 3fyp s VAL 17 Ca 0.65 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 3fyp s VAL 17 Cb -0.46 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3fyp s VAL 17 CO 0.54 0.49 0.57 -0.22 0.00 0.00 0.00 175.10 176.48 3fyp s LEU 18 N 0.19 4.17 -0.27 3.92 2.96 -0.62 -1.33 118.68 127.71 3fyp s LEU 18 Ca 0.03 0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 54.67 3fyp s LEU 18 Cb -0.12 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 3fyp s LEU 18 CO 0.01 -0.19 0.07 -0.36 -1.32 0.00 0.00 176.35 174.56 3fyp s PHE 19 N 1.56 3.11 -0.11 5.38 0.40 -0.04 -0.94 117.98 127.34 3fyp s PHE 19 Ca 0.27 -0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 55.51 3fyp s PHE 19 Cb -0.16 -2.24 0.07 0.00 0.51 0.00 0.00 43.02 41.21 3fyp s PHE 19 CO 0.11 -0.51 0.69 0.20 0.70 0.00 0.00 175.22 176.41 3fyp s GLY 20 N 1.54 -0.57 0.00 4.36 0.00 -0.76 -0.13 107.32 111.76 3fyp s GLY 20 Ca 0.04 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.27 3fyp s GLY 20 CO 0.02 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.90 3fyp n GLY 21 N 1.38 -1.67 3.26 0.20 0.00 -1.24 -1.77 105.19 105.36 3fyp n GLY 21 Ca -0.18 0.76 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 3fyp n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyp s ILE 22 N 0.00 0.08 -0.02 -0.61 -4.36 0.07 -4.83 121.20 111.52 3fyp s ILE 22 Ca 0.00 -1.61 -0.10 0.00 -0.26 0.00 0.00 60.65 58.67 3fyp s ILE 22 Cb 0.00 -1.95 -0.06 0.00 1.25 0.00 0.00 42.46 41.70 3fyp s ILE 22 CO 0.00 -0.35 0.56 0.00 0.24 0.00 0.00 174.94 175.39 3fyp s VAL 24 N -2.83 -0.14 0.43 0.00 0.11 -1.26 -2.13 120.40 114.58 3fyp s VAL 24 Ca -0.05 0.37 -0.24 0.00 -2.93 0.00 0.00 61.98 59.13 3fyp s VAL 24 Cb 0.01 -0.19 -0.10 0.00 -1.53 0.00 0.00 36.38 34.57 3fyp s VAL 24 CO 0.16 0.16 1.08 0.18 -3.33 0.00 0.00 175.10 173.35 3fyp n LEU 25 N 5.13 3.11 0.05 2.54 4.77 0.15 -4.92 117.00 127.83 3fyp n LEU 25 Ca -0.07 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3fyp n LEU 25 Cb 0.50 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3fyp n LEU 25 CO 0.08 -1.26 -0.08 -0.62 -1.33 0.00 0.00 177.39 174.17 3fyp n GLU 26 N 0.02 0.00 -3.98 3.23 1.02 -1.26 -3.42 120.64 116.25 3fyp n GLU 26 Ca 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 3fyp n GLU 26 Cb 0.40 -0.14 -0.09 0.00 -0.02 0.00 0.00 31.44 31.59 3fyp n GLU 26 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fyp s SER 27 N -5.11 0.31 0.28 1.62 1.04 -1.26 -4.80 113.70 105.78 3fyp s SER 27 Ca 0.00 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 3fyp s SER 27 Cb 0.00 0.27 0.40 0.00 0.10 0.00 0.00 66.02 66.78 3fyp s SER 27 CO 0.00 -0.66 1.95 0.25 0.98 0.00 0.00 173.24 175.76 3fyp h LEU 28 N 2.96 1.01 0.16 2.42 5.85 -1.99 -2.69 115.31 123.03 3fyp h LEU 28 Ca -0.34 -0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.03 3fyp h LEU 28 Cb 1.17 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3fyp h LEU 28 CO 0.61 0.72 -1.64 0.44 -0.34 0.00 0.00 178.44 178.24 3fyp h ASP 29 N 1.19 0.53 1.51 1.25 3.32 -1.99 -1.42 116.42 120.81 3fyp h ASP 29 Ca 0.33 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3fyp h ASP 29 Cb -0.10 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3fyp h ASP 29 CO -0.08 1.62 0.00 0.77 -1.72 0.00 0.00 179.24 179.83 3fyp h SER 30 N 0.09 0.00 -0.11 6.45 4.64 -1.99 -1.89 113.55 120.74 3fyp h SER 30 Ca -0.29 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 3fyp h SER 30 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3fyp h SER 30 CO 0.18 0.00 -0.31 0.74 -0.87 0.00 0.00 176.83 176.57 3fyp h THR 31 N 0.00 1.39 0.00 2.95 2.02 -1.25 -2.68 112.91 115.34 3fyp h THR 31 Ca 0.00 -1.63 -0.05 0.00 0.77 0.00 0.00 66.41 65.50 3fyp h THR 31 Cb 0.76 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3fyp h THR 31 CO 0.00 0.48 -0.24 -0.07 0.37 0.00 0.00 175.52 176.05 3fyp h LEU 32 N -0.04 0.00 -0.16 2.58 3.38 -1.09 -2.22 115.31 117.75 3fyp h LEU 32 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3fyp h LEU 32 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3fyp h LEU 32 CO 0.07 0.24 -0.50 -0.61 0.09 0.00 0.00 178.44 177.73 3fyp h GLN 33 N 0.00 0.63 -0.31 1.13 4.15 -1.35 -1.58 115.11 117.77 3fyp h GLN 33 Ca -0.00 -0.46 -0.17 0.00 0.77 0.00 0.00 58.65 58.79 3fyp h GLN 33 Cb 0.92 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 3fyp h GLN 33 CO 0.03 1.08 -0.46 1.15 -1.93 0.00 0.00 178.83 178.70 3fyp h THR 34 N 0.29 1.28 0.00 2.39 2.02 -1.29 -2.98 112.91 114.62 3fyp h THR 34 Ca -0.02 -1.65 -0.18 0.00 0.77 0.00 0.00 66.41 65.34 3fyp h THR 34 Cb 1.12 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 3fyp h THR 34 CO 0.11 0.54 -0.86 0.00 0.37 0.00 0.00 175.52 175.68 3fyp h ALA 36 N 1.12 1.33 -0.13 0.00 0.00 -1.25 -0.26 119.26 120.07 3fyp h ALA 36 Ca -0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3fyp h ALA 36 Cb 1.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3fyp h ALA 36 CO 0.11 0.46 -0.23 1.25 0.00 0.00 0.00 179.25 180.84 3fyp h HIS 37 N 0.24 0.48 -0.53 0.00 6.17 -1.34 -0.97 115.15 119.21 3fyp h HIS 37 Ca 0.04 -0.17 -0.06 0.00 0.71 0.00 0.00 60.37 60.89 3fyp h HIS 37 Cb 0.55 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.37 3fyp h HIS 37 CO 0.01 0.85 0.09 1.88 0.71 0.00 0.00 177.93 181.48 3fyp h TYR 38 N -0.02 0.93 -0.32 5.26 -1.99 -1.23 -1.87 116.97 117.74 3fyp h TYR 38 Ca 0.01 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 3fyp h TYR 38 Cb 0.82 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3fyp h TYR 38 CO 0.10 0.83 0.12 0.28 -0.00 0.00 0.00 178.16 179.49 3fyp h VAL 39 N 0.77 1.18 -0.32 -2.88 2.07 -1.01 0.61 116.25 116.67 3fyp h VAL 39 Ca 0.16 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3fyp h VAL 39 Cb 0.39 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3fyp h VAL 39 CO 0.01 0.20 0.21 -0.08 0.02 0.00 0.00 177.57 177.92 3fyp h GLU 40 N 0.36 0.43 -0.21 1.57 4.22 -1.08 0.18 114.58 120.04 3fyp h GLU 40 Ca 0.10 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 3fyp h GLU 40 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fyp h GLU 40 CO -0.01 0.30 -0.07 0.28 -2.18 0.00 0.00 179.01 177.33 3fyp h VAL 41 N 0.43 1.29 -0.28 0.32 2.07 -1.23 -2.50 116.25 116.36 3fyp h VAL 41 Ca 0.12 -1.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.39 3fyp h VAL 41 Cb -0.03 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3fyp h VAL 41 CO -0.02 0.33 -0.47 0.71 0.02 0.00 0.00 177.57 178.14 3fyp h THR 42 N 0.14 1.29 -0.10 2.57 1.35 -0.83 -2.33 112.91 114.99 3fyp h THR 42 Ca 0.05 -1.67 0.02 0.00 -0.55 0.00 0.00 66.41 64.26 3fyp h THR 42 Cb 0.54 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 3fyp h THR 42 CO 0.02 0.54 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.73 3fyp h ARG 43 N 0.58 0.02 0.00 4.72 2.43 -0.63 0.15 114.38 121.65 3fyp h ARG 43 Ca 0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3fyp h ARG 43 Cb 1.03 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3fyp h ARG 43 CO 0.10 0.01 -0.06 1.57 -1.51 0.00 0.00 179.97 180.08 3fyp h LYS 44 N 0.02 0.00 0.00 0.20 2.10 -1.31 -2.13 116.57 115.45 3fyp h LYS 44 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3fyp h LYS 44 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3fyp h LYS 44 CO -0.09 0.06 -0.92 1.28 -2.00 0.00 0.00 179.45 177.78 3fyp n LEU 45 N -3.17 0.63 -0.17 7.07 4.77 -0.89 -4.98 117.00 120.27 3fyp n LEU 45 Ca 0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3fyp n LEU 45 Cb 0.38 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3fyp n LEU 45 CO 0.30 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3fyp n GLY 46 N 1.36 0.63 3.46 -0.72 0.00 0.40 -5.05 105.19 105.27 3fyp n GLY 46 Ca 0.02 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3fyp n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyp s ILE 47 N -2.34 3.89 0.51 -0.61 1.01 -0.49 -5.03 121.20 118.14 3fyp s ILE 47 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 3fyp s ILE 47 Cb 0.00 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 3fyp s ILE 47 CO 0.00 0.45 1.18 -2.84 0.00 0.00 0.00 174.94 173.73 3fyp s PRO 48 N 0.82 3.45 -0.03 2.79 0.02 -1.26 -4.50 135.00 136.28 3fyp s PRO 48 Ca -0.00 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.79 3fyp s PRO 48 Cb -0.14 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.20 3fyp s PRO 48 CO 0.02 -0.81 0.06 -0.47 -0.33 0.00 0.00 177.00 175.47 3fyp s TYR 49 N -1.59 -0.05 -0.12 6.54 5.04 -1.26 -1.58 117.35 124.32 3fyp s TYR 49 Ca 0.69 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 3fyp s TYR 49 Cb -0.29 -0.07 0.02 0.00 0.35 0.00 0.00 41.96 41.98 3fyp s TYR 49 CO 0.34 -0.07 -0.11 0.42 -1.34 0.00 0.00 175.55 174.78 3fyp s ILE 50 N 0.51 1.30 0.14 3.14 1.01 -0.11 -4.43 121.20 122.76 3fyp s ILE 50 Ca -0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3fyp s ILE 50 Cb -0.06 -1.25 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 3fyp s ILE 50 CO -0.02 0.41 1.00 0.12 0.00 0.00 0.00 174.94 176.45 3fyp s PHE 51 N 1.47 3.76 -0.07 3.97 5.36 -0.82 -1.82 117.98 129.83 3fyp s PHE 51 Ca 0.02 1.75 0.06 0.00 -0.96 0.00 0.00 56.93 57.80 3fyp s PHE 51 Cb -0.13 -3.11 -0.01 0.00 -0.34 0.00 0.00 43.02 39.43 3fyp s PHE 51 CO -0.08 -0.01 -0.25 0.21 -1.46 0.00 0.00 175.22 173.64 3fyp s LYS 52 N -0.18 2.67 -0.09 10.12 2.36 -0.73 -0.74 119.74 133.15 3fyp s LYS 52 Ca 0.47 -0.90 -0.30 0.00 -2.55 0.00 0.00 55.97 52.69 3fyp s LYS 52 Cb -0.25 -2.19 0.09 0.00 -1.05 0.00 0.00 37.83 34.43 3fyp s LYS 52 CO 0.31 0.33 0.82 0.00 1.55 0.00 0.00 175.35 178.36 3fyp s ALA 53 N -0.04 -1.84 0.16 3.13 0.00 -1.07 -0.75 121.76 121.35 3fyp s ALA 53 Ca -0.07 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 3fyp s ALA 53 Cb -0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 3fyp s ALA 53 CO 0.05 -0.35 0.40 -1.12 0.00 0.00 0.00 175.76 174.73 3fyp s SER 54 N -1.20 6.50 -0.00 0.00 0.01 -0.90 -4.28 113.70 113.82 3fyp s SER 54 Ca -0.07 0.62 0.22 0.00 1.31 0.00 0.00 55.95 58.03 3fyp s SER 54 Cb -0.00 -2.10 -0.23 0.00 0.21 0.00 0.00 66.02 63.89 3fyp s SER 54 CO 0.06 0.03 0.75 2.22 0.41 0.00 0.00 173.24 176.71 3fyp n PHE 55 N 0.01 0.05 -4.01 2.43 1.16 -1.26 0.34 117.46 116.17 3fyp n PHE 55 Ca -0.02 0.01 -0.14 0.00 -1.87 0.00 0.00 57.45 55.43 3fyp n PHE 55 Cb 0.52 -0.27 -0.14 0.00 -1.61 0.00 0.00 39.48 37.97 3fyp n PHE 55 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3fyp s ASP 56 N -3.77 0.31 -0.36 5.98 1.01 -1.26 -0.71 116.67 117.87 3fyp s ASP 56 Ca 0.01 -0.05 -0.17 0.00 0.71 0.00 0.00 52.55 53.06 3fyp s ASP 56 Cb 0.15 -0.04 -0.00 0.00 1.01 0.00 0.00 42.92 44.03 3fyp s ASP 56 CO 0.88 0.03 0.43 -0.75 0.21 0.00 0.00 175.17 175.96 3fyp s LYS 57 N -0.01 3.50 -0.08 8.23 2.47 0.15 -4.98 119.74 129.01 3fyp s LYS 57 Ca 0.00 -0.39 -0.19 0.00 -1.56 0.00 0.00 55.97 53.83 3fyp s LYS 57 Cb -0.02 -3.84 -0.29 0.00 -1.46 0.00 0.00 37.83 32.23 3fyp s LYS 57 CO -0.00 -0.63 0.72 0.00 0.16 0.00 0.00 175.35 175.60 3fyp h ALA 58 N 8.52 0.04 -2.81 3.13 0.00 -1.98 -3.42 119.26 122.73 3fyp h ALA 58 Ca -0.28 -0.89 -0.71 0.00 0.00 0.00 0.00 54.91 53.03 3fyp h ALA 58 Cb 1.13 0.29 -0.25 0.00 0.00 0.00 0.00 17.79 18.96 3fyp h ALA 58 CO 0.74 0.58 -0.51 1.21 0.00 0.00 0.00 179.25 181.28 3fyp s ASN 59 N -6.99 5.71 0.03 0.00 2.47 -1.26 -5.09 114.94 109.81 3fyp s ASN 59 Ca -0.17 -1.10 0.03 0.00 0.42 0.00 0.00 52.86 52.05 3fyp s ASN 59 Cb 0.03 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.78 3fyp s ASN 59 CO 0.79 -0.42 -0.04 -0.13 -3.72 0.00 0.00 177.10 173.58 3fyp s ARG 60 N 1.53 2.57 0.52 0.43 0.52 -1.26 -4.99 118.95 118.27 3fyp s ARG 60 Ca 0.02 -0.74 0.27 0.00 -0.52 0.00 0.00 55.73 54.76 3fyp s ARG 60 Cb -0.20 -2.53 1.44 0.00 0.52 0.00 0.00 34.95 34.17 3fyp s ARG 60 CO 0.06 0.59 2.07 0.66 0.02 0.00 0.00 175.30 178.70 3fyp h SER 61 N 4.21 0.00 -5.11 0.23 4.64 -1.95 -3.43 113.55 112.14 3fyp h SER 61 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 3fyp h SER 61 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3fyp h SER 61 CO 0.55 0.12 -0.50 -0.55 -0.87 0.00 0.00 176.83 175.58 3fyp s SER 62 N -6.18 0.18 0.00 4.97 0.15 -1.26 -5.00 113.70 106.56 3fyp s SER 62 Ca -0.03 -0.58 0.17 0.00 0.70 0.00 0.00 55.95 56.22 3fyp s SER 62 Cb 0.13 0.25 0.87 0.00 -1.71 0.00 0.00 66.02 65.56 3fyp s SER 62 CO 0.59 -0.56 1.53 2.30 1.20 0.00 0.00 173.24 178.30 3fyp n ILE 63 N 0.56 0.53 0.21 6.45 -5.35 -1.26 -2.42 119.36 118.06 3fyp n ILE 63 Ca -0.18 0.13 0.05 0.00 -0.27 0.00 0.00 62.75 62.49 3fyp n ILE 63 Cb 0.59 -0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 37.58 3fyp n ILE 63 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3fyp n HIS 64 N -1.31 0.00 -1.08 4.28 8.25 -1.26 -5.04 115.22 119.06 3fyp n HIS 64 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 3fyp n HIS 64 Cb 0.15 -0.14 0.12 0.00 1.12 0.00 0.00 29.99 31.24 3fyp n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3fyp n SER 65 N -1.61 0.37 -4.55 0.41 7.64 -1.02 -4.94 113.62 109.92 3fyp n SER 65 Ca -0.00 0.55 -0.44 0.00 1.01 0.00 0.00 58.87 59.99 3fyp n SER 65 Cb 0.23 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 61.99 3fyp n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fyp n TYR 66 N -3.24 0.81 0.00 1.43 9.36 -1.26 -4.94 117.16 119.31 3fyp n TYR 66 Ca 0.12 0.70 0.00 0.00 3.32 0.00 0.00 57.90 62.04 3fyp n TYR 66 Cb 0.51 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 3fyp n TYR 66 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3fyp n ARG 67 N 0.65 5.40 0.00 2.98 1.85 -1.26 -4.92 116.66 121.36 3fyp n ARG 67 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3fyp n ARG 67 Cb 0.33 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 3fyp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyp n GLY 68 N 1.30 0.53 0.05 2.89 0.00 -1.26 -0.68 105.19 108.01 3fyp n GLY 68 Ca 0.00 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.01 3fyp n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3fyp n VAL 69 N -0.00 0.00 -0.27 1.61 3.14 -1.13 -4.95 118.33 116.72 3fyp n VAL 69 Ca 0.00 -0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.39 3fyp n VAL 69 Cb 0.00 0.08 -0.01 0.00 -1.06 0.00 0.00 33.84 32.84 3fyp n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fyp n GLY 70 N 1.45 -1.94 0.30 7.55 0.00 0.11 -4.15 105.19 108.51 3fyp n GLY 70 Ca 0.08 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3fyp n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fyp h LEU 71 N -0.26 -0.73 -0.48 0.99 6.46 -1.96 1.26 115.31 120.60 3fyp h LEU 71 Ca -0.01 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3fyp h LEU 71 Cb 0.25 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 3fyp h LEU 71 CO 0.01 -0.38 0.05 -0.08 -0.62 0.00 0.00 178.44 177.42 3fyp h GLU 72 N -0.54 0.81 0.10 1.25 4.81 -1.98 0.29 114.58 119.33 3fyp h GLU 72 Ca 0.00 -0.24 -0.26 0.00 -0.13 0.00 0.00 59.36 58.74 3fyp h GLU 72 Cb 0.51 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 29.83 3fyp h GLU 72 CO -0.09 0.84 -1.07 0.93 -0.73 0.00 0.00 179.01 178.89 3fyp h GLU 73 N 0.68 0.54 -0.42 1.92 4.39 -1.70 -2.82 114.58 117.17 3fyp h GLU 73 Ca 0.14 -0.72 0.09 0.00 0.34 0.00 0.00 59.36 59.20 3fyp h GLU 73 Cb 0.44 0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 3fyp h GLU 73 CO 0.02 1.32 -0.15 0.78 -1.16 0.00 0.00 179.01 179.81 3fyp h GLY 74 N 0.11 0.22 1.79 -3.84 0.00 0.18 -0.92 103.07 100.62 3fyp h GLY 74 Ca -0.16 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3fyp h GLY 74 CO 0.21 -0.18 -0.14 1.41 0.00 0.00 0.00 176.54 177.83 3fyp h LEU 75 N -0.05 0.24 -0.57 3.11 3.38 -0.41 -1.60 115.31 119.41 3fyp h LEU 75 Ca 0.21 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fyp h LEU 75 Cb 0.37 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3fyp h LEU 75 CO -0.47 0.41 0.36 0.11 0.09 0.00 0.00 178.44 178.95 3fyp h LYS 76 N 0.24 0.71 -0.25 1.13 1.57 -0.93 -0.84 116.57 118.21 3fyp h LYS 76 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3fyp h LYS 76 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3fyp h LYS 76 CO 0.02 0.47 -0.06 0.82 -0.57 0.00 0.00 179.45 180.13 3fyp h ILE 77 N 0.73 1.28 -0.52 1.86 2.04 -0.72 -1.68 117.51 120.50 3fyp h ILE 77 Ca 0.22 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3fyp h ILE 77 Cb -0.03 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3fyp h ILE 77 CO -0.07 0.33 0.28 -0.26 0.00 0.00 0.00 178.15 178.43 3fyp h PHE 78 N 0.22 0.53 -0.87 1.37 -1.00 -1.16 -0.78 116.94 115.24 3fyp h PHE 78 Ca 0.06 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.91 3fyp h PHE 78 Cb 0.53 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 39.87 3fyp h PHE 78 CO 0.05 0.27 0.57 0.93 -1.61 0.00 0.00 178.31 178.53 3fyp h GLU 79 N 0.56 1.02 -0.56 1.51 5.08 -0.65 -1.83 114.58 119.71 3fyp h GLU 79 Ca 0.22 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3fyp h GLU 79 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3fyp h GLU 79 CO -0.14 0.68 0.07 0.87 -1.00 0.00 0.00 179.01 179.49 3fyp h LYS 80 N 1.05 0.95 -0.74 2.33 1.57 -0.27 -2.51 116.57 118.94 3fyp h LYS 80 Ca 0.36 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3fyp h LYS 80 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3fyp h LYS 80 CO -0.12 0.92 0.34 0.28 -0.57 0.00 0.00 179.45 180.31 3fyp h VAL 81 N 0.84 1.24 -0.20 0.50 2.07 -0.46 0.52 116.25 120.76 3fyp h VAL 81 Ca 0.17 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 3fyp h VAL 81 Cb 0.45 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3fyp h VAL 81 CO 0.02 0.29 -0.38 0.11 0.02 0.00 0.00 177.57 177.63 3fyp h LYS 82 N 1.05 0.46 0.03 1.57 1.57 -1.24 -0.51 116.57 119.49 3fyp h LYS 82 Ca 0.25 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fyp h LYS 82 Cb 0.14 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fyp h LYS 82 CO -0.03 0.77 -0.01 0.00 -0.57 0.00 0.00 179.45 179.60 3fyp h ALA 83 N 1.21 -0.04 -0.38 3.86 0.00 -0.86 0.58 119.26 123.63 3fyp h ALA 83 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3fyp h ALA 83 Cb 0.84 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3fyp h ALA 83 CO 0.07 -0.26 0.07 1.49 0.00 0.00 0.00 179.25 180.63 3fyp h GLU 84 N -0.57 0.63 0.00 0.00 4.81 -0.79 -3.35 114.58 115.32 3fyp h GLU 84 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3fyp h GLU 84 Cb 0.52 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3fyp h GLU 84 CO 0.01 0.67 -1.52 1.19 -0.73 0.00 0.00 179.01 178.63 3fyp n PHE 85 N -4.55 0.00 -2.58 0.92 3.01 -0.21 -5.00 117.46 109.04 3fyp n PHE 85 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.30 3fyp n PHE 85 Cb 0.22 -0.26 0.01 0.00 -0.01 0.00 0.00 39.48 39.44 3fyp n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fyp n GLY 86 N 1.83 -0.20 3.68 1.37 0.00 0.19 -5.03 105.19 107.04 3fyp n GLY 86 Ca -0.02 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3fyp n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyp s ILE 87 N -2.89 3.68 0.68 -0.61 -4.36 -1.26 -5.08 121.20 111.37 3fyp s ILE 87 Ca 0.13 -1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 58.63 3fyp s ILE 87 Cb -0.06 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.70 3fyp s ILE 87 CO 0.16 -0.34 1.09 -2.84 0.24 0.00 0.00 174.94 173.25 3fyp s PRO 88 N -3.62 2.78 0.11 0.37 0.02 -1.26 -4.59 135.00 128.81 3fyp s PRO 88 Ca 0.31 1.26 0.02 0.00 0.02 0.00 0.00 61.00 62.61 3fyp s PRO 88 Cb -0.07 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3fyp s PRO 88 CO 0.21 -1.25 -0.05 0.14 -0.33 0.00 0.00 177.00 175.72 3fyp s VAL 89 N -2.55 0.67 -0.01 3.83 -7.23 -1.26 -1.94 120.40 111.91 3fyp s VAL 89 Ca 0.64 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3fyp s VAL 89 Cb -0.18 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.02 3fyp s VAL 89 CO 0.45 -0.81 -0.01 -0.51 -0.31 0.00 0.00 175.10 173.91 3fyp s ILE 90 N -3.64 0.10 0.11 -0.62 2.07 0.08 -1.75 121.20 117.56 3fyp s ILE 90 Ca 0.14 -0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.25 3fyp s ILE 90 Cb 0.05 -0.12 0.01 0.00 0.13 0.00 0.00 42.46 42.53 3fyp s ILE 90 CO -0.04 0.05 0.29 0.28 -1.91 0.00 0.00 174.94 173.61 3fyp s THR 91 N 0.23 0.11 0.35 4.00 -1.32 -0.87 -2.59 115.64 115.55 3fyp s THR 91 Ca -0.02 -0.96 -0.03 0.00 -1.21 0.00 0.00 61.69 59.48 3fyp s THR 91 Cb -0.04 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 3fyp s THR 91 CO -0.01 -0.48 0.59 1.51 -2.21 0.00 0.00 174.62 174.02 3fyp s ASP 92 N -2.85 6.35 0.08 8.08 -4.77 -1.26 -0.48 116.67 121.82 3fyp s ASP 92 Ca 0.05 0.63 0.06 0.00 -3.30 0.00 0.00 52.55 49.99 3fyp s ASP 92 Cb 0.03 -2.11 -0.03 0.00 -1.09 0.00 0.00 42.92 39.72 3fyp s ASP 92 CO -0.10 -0.30 -0.15 0.68 0.70 0.00 0.00 175.17 175.99 3fyp s VAL 93 N -2.30 1.21 0.00 2.11 -7.23 -0.92 -4.84 120.40 108.44 3fyp s VAL 93 Ca 0.43 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3fyp s VAL 93 Cb -0.10 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.68 3fyp s VAL 93 CO 0.35 -0.21 0.00 1.41 -0.31 0.00 0.00 175.10 176.34 3fyp n HIS 94 N 1.22 0.00 -4.35 2.82 8.25 -1.26 -4.43 115.22 117.47 3fyp n HIS 94 Ca -0.21 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.07 3fyp n HIS 94 Cb 0.54 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 3fyp n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fyp s GLU 95 N -1.13 0.71 0.38 -0.41 0.41 -1.26 -5.03 118.70 112.38 3fyp s GLU 95 Ca 0.00 -0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.28 3fyp s GLU 95 Cb 0.00 -0.69 0.75 0.00 -1.78 0.00 0.00 34.13 32.41 3fyp s GLU 95 CO 0.00 0.19 2.04 -1.35 -0.49 0.00 0.00 175.26 175.64 3fyp h PRO 96 N 5.89 0.69 -0.10 0.39 0.11 -1.92 -0.23 132.00 136.83 3fyp h PRO 96 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3fyp h PRO 96 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3fyp h PRO 96 CO 0.49 0.46 -0.09 1.12 -0.21 0.00 0.00 178.00 179.77 3fyp h HIS 97 N 0.71 0.15 0.00 0.65 2.07 -1.97 -2.37 115.15 114.39 3fyp h HIS 97 Ca 0.19 -0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.67 3fyp h HIS 97 Cb -0.08 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 29.85 3fyp h HIS 97 CO 0.00 0.25 -0.13 1.96 -3.07 0.00 0.00 177.93 176.95 3fyp h GLN 98 N 0.15 0.00 0.30 5.12 4.20 -1.46 -3.38 115.11 120.05 3fyp h GLN 98 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3fyp h GLN 98 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fyp h GLN 98 CO 0.01 0.13 -0.14 0.00 -0.67 0.00 0.00 178.83 178.16 3fyp h GLN 100 N -0.56 0.69 -0.19 0.00 5.75 -1.78 -0.72 115.11 118.30 3fyp h GLN 100 Ca -0.04 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 3fyp h GLN 100 Cb 0.41 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 3fyp h GLN 100 CO 0.07 0.65 -0.11 -1.00 -2.65 0.00 0.00 178.83 175.79 3fyp h PRO 101 N 0.59 0.41 -0.95 -2.39 0.13 -1.77 -1.46 132.00 126.56 3fyp h PRO 101 Ca 0.15 -0.18 0.14 0.00 -0.87 0.00 0.00 66.00 65.23 3fyp h PRO 101 Cb 0.23 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.26 3fyp h PRO 101 CO -0.01 0.71 0.56 0.28 -0.23 0.00 0.00 178.00 179.32 3fyp h VAL 102 N 0.09 0.82 0.00 1.56 2.07 -1.34 -1.64 116.25 117.82 3fyp h VAL 102 Ca 0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3fyp h VAL 102 Cb 0.60 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3fyp h VAL 102 CO 0.03 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.77 3fyp h ALA 103 N 1.56 1.00 0.00 1.67 0.00 -0.56 0.33 119.26 123.25 3fyp h ALA 103 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 3fyp h ALA 103 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fyp h ALA 103 CO -0.31 0.00 -0.40 0.93 0.00 0.00 0.00 179.25 179.47 3fyp h GLU 104 N 0.00 0.00 0.00 0.00 4.39 -0.27 -3.36 114.58 115.35 3fyp h GLU 104 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 3fyp h GLU 104 Cb 0.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3fyp h GLU 104 CO 0.00 0.40 -1.97 0.28 -1.16 0.00 0.00 179.01 176.56 3fyp n VAL 105 N -3.91 0.96 -3.49 3.13 0.31 -0.50 -4.98 118.33 109.85 3fyp n VAL 105 Ca -0.01 -0.31 -0.38 0.00 -0.01 0.00 0.00 64.34 63.63 3fyp n VAL 105 Cb 0.45 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.90 3fyp n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyp h ASP 107 N 7.45 0.20 -3.55 0.00 5.19 -1.71 -3.41 116.42 120.58 3fyp h ASP 107 Ca -0.37 -0.22 -0.67 0.00 -0.62 0.00 0.00 57.03 55.16 3fyp h ASP 107 Cb 1.16 -0.05 -0.25 0.00 0.18 0.00 0.00 39.33 40.37 3fyp h ASP 107 CO 0.69 0.36 -0.76 -0.69 -3.12 0.00 0.00 179.24 175.73 3fyp s VAL 108 N -5.33 3.14 0.02 -1.35 1.01 -0.72 -3.74 120.40 113.44 3fyp s VAL 108 Ca -0.14 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3fyp s VAL 108 Cb 0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3fyp s VAL 108 CO 0.70 0.55 -0.11 0.27 0.00 0.00 0.00 175.10 176.51 3fyp s ILE 109 N -0.04 3.33 -0.11 2.22 -4.36 -0.68 -2.04 121.20 119.51 3fyp s ILE 109 Ca -0.03 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 3fyp s ILE 109 Cb -0.14 -2.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 3fyp s ILE 109 CO 0.04 0.35 -0.16 -1.58 0.24 0.00 0.00 174.94 173.83 3fyp s GLN 110 N -1.48 3.16 -0.43 0.37 0.74 0.37 -1.14 119.66 121.26 3fyp s GLN 110 Ca 0.17 -0.74 -0.24 0.00 0.05 0.00 0.00 55.36 54.60 3fyp s GLN 110 Cb -0.11 -2.50 0.02 0.00 1.10 0.00 0.00 33.01 31.52 3fyp s GLN 110 CO 0.07 0.26 0.84 -1.17 -0.55 0.00 0.00 175.29 174.74 3fyp s LEU 111 N 0.19 4.13 0.59 3.68 2.96 0.35 -2.16 118.68 128.43 3fyp s LEU 111 Ca -0.10 0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.73 3fyp s LEU 111 Cb -0.16 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 3fyp s LEU 111 CO 0.06 -0.91 1.34 -2.65 -1.32 0.00 0.00 176.35 172.87 3fyp n PRO 112 N 6.78 1.46 -0.21 0.98 -0.02 -1.26 -2.65 135.00 140.07 3fyp n PRO 112 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3fyp n PRO 112 Cb 0.48 -2.56 0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3fyp n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fyp h ALA 113 N 1.06 0.84 0.00 3.55 0.00 -1.93 -1.31 119.26 121.47 3fyp h ALA 113 Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fyp h ALA 113 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3fyp h ALA 113 CO 0.55 -0.16 0.00 0.27 0.00 0.00 0.00 179.25 179.91 3fyp h PHE 114 N 0.45 0.00 -0.25 0.00 -5.15 -1.89 -2.27 116.94 107.83 3fyp h PHE 114 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 3fyp h PHE 114 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.56 3fyp h PHE 114 CO -0.15 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.44 3fyp n LEU 115 N -2.70 2.84 0.29 2.10 4.77 -0.53 -4.66 117.00 119.11 3fyp n LEU 115 Ca 0.00 -1.47 0.17 0.00 -0.03 0.00 0.00 56.01 54.68 3fyp n LEU 115 Cb 0.21 -0.16 0.87 0.00 -2.33 0.00 0.00 43.42 42.02 3fyp n LEU 115 CO 0.22 0.62 1.05 0.00 -1.33 0.00 0.00 177.39 177.94 3fyp h ALA 116 N 3.11 1.16 -0.54 -1.18 0.00 -0.98 -0.06 119.26 120.76 3fyp h ALA 116 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fyp h ALA 116 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fyp h ALA 116 CO 0.00 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.86 3fyp n ARG 117 N -3.37 2.70 -2.78 0.00 1.74 -1.26 -4.90 116.66 108.79 3fyp n ARG 117 Ca -0.02 -2.37 -0.43 0.00 -0.77 0.00 0.00 57.85 54.27 3fyp n ARG 117 Cb 0.20 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3fyp n ARG 117 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fyp s GLN 118 N -1.04 3.21 0.31 5.56 -1.52 -0.04 -4.89 119.66 121.25 3fyp s GLN 118 Ca 0.38 -0.49 0.03 0.00 -1.95 0.00 0.00 55.36 53.32 3fyp s GLN 118 Cb 0.20 -4.15 0.53 0.00 -0.22 0.00 0.00 33.01 29.36 3fyp s GLN 118 CO 0.26 -1.77 1.84 1.15 -0.25 0.00 0.00 175.29 176.53 3fyp h THR 119 N 6.01 1.21 -0.38 -0.19 2.02 -1.90 -1.44 112.91 118.24 3fyp h THR 119 Ca -0.28 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.11 3fyp h THR 119 Cb 1.07 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 3fyp h THR 119 CO 1.17 0.29 0.06 0.44 0.37 0.00 0.00 175.52 177.85 3fyp h ASP 120 N 0.57 -0.03 0.20 4.18 3.32 -1.97 -0.64 116.42 122.05 3fyp h ASP 120 Ca 0.12 0.07 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 3fyp h ASP 120 Cb 0.37 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3fyp h ASP 120 CO 0.01 0.02 -0.87 0.25 -1.72 0.00 0.00 179.24 176.93 3fyp h LEU 121 N 0.18 0.63 -0.22 1.55 5.85 -1.71 -1.79 115.31 119.80 3fyp h LEU 121 Ca 0.18 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3fyp h LEU 121 Cb 0.23 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3fyp h LEU 121 CO -0.26 1.25 -0.02 0.58 -0.34 0.00 0.00 178.44 179.65 3fyp h VAL 122 N 0.31 0.83 -0.65 1.05 2.07 -1.17 0.69 116.25 119.38 3fyp h VAL 122 Ca -0.07 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3fyp h VAL 122 Cb 1.49 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3fyp h VAL 122 CO 0.16 0.01 0.11 0.58 0.02 0.00 0.00 177.57 178.44 3fyp h VAL 123 N 0.05 1.26 -0.11 2.57 2.07 -0.86 -0.60 116.25 120.63 3fyp h VAL 123 Ca 0.10 -1.02 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 3fyp h VAL 123 Cb 0.14 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3fyp h VAL 123 CO -0.19 0.38 -0.63 0.00 0.02 0.00 0.00 177.57 177.15 3fyp h ALA 124 N 1.04 0.71 -0.19 1.67 0.00 -1.00 -1.11 119.26 120.37 3fyp h ALA 124 Ca 0.20 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3fyp h ALA 124 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fyp h ALA 124 CO 0.01 0.73 -0.10 0.52 0.00 0.00 0.00 179.25 180.41 3fyp h MET 125 N 0.29 0.40 -0.96 0.00 2.86 -0.73 -3.06 114.93 113.74 3fyp h MET 125 Ca -0.01 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3fyp h MET 125 Cb 1.18 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.76 3fyp h MET 125 CO 0.11 0.71 0.60 0.00 1.06 0.00 0.00 176.91 179.39 3fyp h ALA 126 N 0.68 1.37 0.00 6.32 0.00 -0.56 -2.13 119.26 124.94 3fyp h ALA 126 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fyp h ALA 126 Cb 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fyp h ALA 126 CO 0.03 0.30 0.00 0.87 0.00 0.00 0.00 179.25 180.45 3fyp h LYS 127 N 1.03 0.00 0.00 0.00 1.57 -1.11 -0.99 116.57 117.07 3fyp h LYS 127 Ca 0.44 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.16 3fyp h LYS 127 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3fyp h LYS 127 CO -0.21 0.00 -0.27 1.79 -0.57 0.00 0.00 179.45 180.18 3fyp h THR 128 N 0.00 0.82 0.00 -0.16 1.35 -1.39 -3.46 112.91 110.07 3fyp h THR 128 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3fyp h THR 128 Cb 0.41 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3fyp h THR 128 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 3fyp n GLY 129 N -0.20 0.61 3.76 5.82 0.00 -0.38 -5.00 105.19 109.80 3fyp n GLY 129 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3fyp n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fyp s ASN 130 N -2.51 4.30 0.28 1.61 -0.87 -1.26 -4.98 114.94 111.52 3fyp s ASN 130 Ca 0.00 1.70 -0.30 0.00 -1.57 0.00 0.00 52.86 52.69 3fyp s ASN 130 Cb 0.00 -2.41 -0.11 0.00 -0.02 0.00 0.00 41.25 38.72 3fyp s ASN 130 CO 0.00 -2.15 1.48 -0.69 -2.57 0.00 0.00 177.10 173.17 3fyp s VAL 131 N -2.93 2.43 -0.07 1.60 1.01 -1.24 -4.80 120.40 116.40 3fyp s VAL 131 Ca 0.61 0.37 0.05 0.00 0.00 0.00 0.00 61.98 63.02 3fyp s VAL 131 Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3fyp s VAL 131 CO 0.56 0.07 -0.23 -0.69 0.00 0.00 0.00 175.10 174.81 3fyp s VAL 132 N -0.23 1.90 -0.26 2.92 1.01 -0.22 -1.69 120.40 123.82 3fyp s VAL 132 Ca 0.59 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 3fyp s VAL 132 Cb -0.44 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3fyp s VAL 132 CO 0.48 0.53 0.05 0.21 0.00 0.00 0.00 175.10 176.36 3fyp s ASN 133 N 0.03 4.92 -0.50 3.32 2.47 -0.29 -0.14 114.94 124.74 3fyp s ASN 133 Ca -0.08 -0.45 -0.19 0.00 0.42 0.00 0.00 52.86 52.56 3fyp s ASN 133 Cb -0.14 -1.86 0.06 0.00 -1.45 0.00 0.00 41.25 37.85 3fyp s ASN 133 CO 0.05 -0.09 0.63 -0.63 -3.72 0.00 0.00 177.10 173.34 3fyp s ILE 134 N 1.54 4.86 -0.24 -5.21 1.01 0.14 -0.49 121.20 122.81 3fyp s ILE 134 Ca 0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3fyp s ILE 134 Cb -0.16 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 3fyp s ILE 134 CO 0.01 -0.80 1.57 -0.54 0.00 0.00 0.00 174.94 175.18 3fyp s LYS 135 N 2.66 3.81 -0.11 2.79 -0.14 -1.09 -0.83 119.74 126.83 3fyp s LYS 135 Ca 0.16 1.59 -0.29 0.00 -1.36 0.00 0.00 55.97 56.06 3fyp s LYS 135 Cb -0.19 -4.01 -0.03 0.00 -1.68 0.00 0.00 37.83 31.92 3fyp s LYS 135 CO 0.12 -1.28 1.44 0.21 -0.76 0.00 0.00 175.35 175.09 3fyp s LYS 136 N 4.61 4.21 0.63 1.68 2.20 -0.33 -4.11 119.74 128.63 3fyp s LYS 136 Ca 0.69 1.90 -0.18 0.00 -0.36 0.00 0.00 55.97 58.03 3fyp s LYS 136 Cb -0.23 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 3fyp s LYS 136 CO 0.28 -0.76 1.24 -2.14 -0.36 0.00 0.00 175.35 173.61 3fyp s PRO 137 N 3.69 2.71 0.55 4.03 0.02 -1.26 -4.41 135.00 140.33 3fyp s PRO 137 Ca 0.63 1.89 0.33 0.00 0.02 0.00 0.00 61.00 63.88 3fyp s PRO 137 Cb -0.27 -1.89 1.53 0.00 0.02 0.00 0.00 34.50 33.89 3fyp s PRO 137 CO 0.22 -1.43 2.06 -0.56 -0.33 0.00 0.00 177.00 176.95 3fyp h GLN 138 N 0.59 0.00 -0.05 5.54 3.07 -1.90 -1.15 115.11 121.20 3fyp h GLN 138 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 3fyp h GLN 138 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 3fyp h GLN 138 CO 0.54 0.05 0.00 1.97 0.09 0.00 0.00 178.83 181.48 3fyp n PHE 139 N -3.24 0.04 -4.12 0.06 1.16 -1.26 -1.45 117.46 108.66 3fyp n PHE 139 Ca -0.01 -0.02 -0.34 0.00 -1.87 0.00 0.00 57.45 55.21 3fyp n PHE 139 Cb 0.26 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.03 3fyp n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3fyp s LEU 140 N -1.94 3.69 0.51 5.98 2.96 -0.44 -5.03 118.68 124.41 3fyp s LEU 140 Ca 0.33 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.10 3fyp s LEU 140 Cb 0.20 -1.92 -0.07 0.00 0.50 0.00 0.00 46.19 44.91 3fyp s LEU 140 CO 0.31 0.19 1.05 -0.94 -1.32 0.00 0.00 176.35 175.65 3fyp s SER 141 N 0.25 6.16 0.61 3.68 1.04 -1.26 -4.76 113.70 119.42 3fyp s SER 141 Ca 0.02 1.93 0.31 0.00 0.48 0.00 0.00 55.95 58.70 3fyp s SER 141 Cb -0.13 -2.56 1.77 0.00 0.10 0.00 0.00 66.02 65.20 3fyp s SER 141 CO 0.01 -0.91 2.10 1.55 0.98 0.00 0.00 173.24 176.98 3fyp h PRO 142 N 1.29 0.00 0.00 4.02 0.13 -1.97 -0.83 132.00 134.65 3fyp h PRO 142 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3fyp h PRO 142 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fyp h PRO 142 CO 0.58 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.22 3fyp n SER 143 N -3.53 0.38 -0.21 1.44 3.41 -1.26 -2.64 113.62 111.21 3fyp n SER 143 Ca 0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3fyp n SER 143 Cb 0.31 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 3fyp n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fyp n GLN 144 N -1.87 0.54 0.21 4.33 1.13 -0.32 -4.14 117.38 117.26 3fyp n GLN 144 Ca 0.05 -0.42 0.05 0.00 -1.94 0.00 0.00 57.00 54.74 3fyp n GLN 144 Cb 0.32 -1.49 0.46 0.00 0.11 0.00 0.00 30.24 29.64 3fyp n GLN 144 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 3fyp h MET 145 N 1.04 0.00 0.00 -1.09 2.86 -1.60 -2.15 114.93 113.98 3fyp h MET 145 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fyp h MET 145 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3fyp h MET 145 CO 0.00 0.27 -0.03 1.57 1.06 0.00 0.00 176.91 179.78 3fyp h LYS 146 N 0.00 0.00 0.07 1.72 2.10 -1.79 -1.23 116.57 117.44 3fyp h LYS 146 Ca -0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 3fyp h LYS 146 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 3fyp h LYS 146 CO 0.04 0.03 -1.09 -0.91 -2.00 0.00 0.00 179.45 175.51 3fyp h ASN 147 N 0.00 0.31 -0.16 7.07 2.35 -1.67 -1.07 115.58 122.42 3fyp h ASN 147 Ca -0.00 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.35 3fyp h ASN 147 Cb 0.13 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3fyp h ASN 147 CO 0.00 1.20 -0.27 0.40 -1.65 0.00 0.00 177.43 177.12 3fyp h ILE 148 N 0.08 1.36 -0.79 2.81 2.04 -1.38 -2.86 117.51 118.77 3fyp h ILE 148 Ca -0.09 -1.50 0.11 0.00 1.00 0.00 0.00 64.86 64.38 3fyp h ILE 148 Cb 1.80 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 39.76 3fyp h ILE 148 CO 0.17 0.45 0.42 0.58 0.00 0.00 0.00 178.15 179.77 3fyp h VAL 149 N 0.08 0.84 -0.74 1.67 2.07 -1.23 -2.09 116.25 116.86 3fyp h VAL 149 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3fyp h VAL 149 Cb 0.85 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3fyp h VAL 149 CO 0.06 0.12 0.30 -0.08 0.02 0.00 0.00 177.57 178.00 3fyp h GLU 150 N 0.68 1.09 -0.26 1.57 4.22 -1.16 -0.19 114.58 120.53 3fyp h GLU 150 Ca 0.40 -0.19 -0.04 0.00 0.08 0.00 0.00 59.36 59.61 3fyp h GLU 150 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3fyp h GLU 150 CO -0.28 0.88 0.02 0.87 -2.18 0.00 0.00 179.01 178.32 3fyp h LYS 151 N 1.07 0.45 -0.81 1.92 1.57 -1.20 0.67 116.57 120.25 3fyp h LYS 151 Ca 0.25 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3fyp h LYS 151 Cb 0.19 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3fyp h LYS 151 CO -0.02 0.60 0.50 0.74 -0.57 0.00 0.00 179.45 180.70 3fyp h PHE 152 N 0.25 1.05 -0.10 -1.35 -1.00 -1.08 -1.60 116.94 113.11 3fyp h PHE 152 Ca 0.08 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 3fyp h PHE 152 Cb 0.38 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 3fyp h PHE 152 CO 0.03 0.69 0.05 0.45 -1.61 0.00 0.00 178.31 177.92 3fyp h HIS 153 N 1.11 0.14 0.00 -0.55 3.86 -0.78 -0.63 115.15 118.29 3fyp h HIS 153 Ca 0.29 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3fyp h HIS 153 Cb -0.07 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 3fyp h HIS 153 CO -0.01 0.19 -0.03 1.49 0.86 0.00 0.00 177.93 180.43 3fyp h GLU 154 N 0.05 0.00 -0.34 2.45 4.81 -0.81 -1.36 114.58 119.37 3fyp h GLU 154 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fyp h GLU 154 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3fyp h GLU 154 CO -0.00 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 3fyp n ALA 155 N -2.47 2.46 -0.20 2.92 0.00 -0.61 -4.92 120.51 117.68 3fyp n ALA 155 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3fyp n ALA 155 Cb 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3fyp n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyp n GLY 156 N 1.28 0.88 2.75 0.00 0.00 -0.36 -4.51 105.19 105.24 3fyp n GLY 156 Ca 0.17 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3fyp n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyp s ASN 157 N -2.12 2.09 -0.06 1.61 3.84 -0.50 -4.95 114.94 114.84 3fyp s ASN 157 Ca 0.00 -0.37 0.12 0.00 0.21 0.00 0.00 52.86 52.82 3fyp s ASN 157 Cb 0.00 -0.49 0.35 0.00 -0.55 0.00 0.00 41.25 40.56 3fyp s ASN 157 CO 0.00 -0.24 1.28 0.61 -2.79 0.00 0.00 177.10 175.96 3fyp n GLY 158 N 5.12 3.30 2.98 1.21 0.00 -1.26 -3.18 105.19 113.35 3fyp n GLY 158 Ca -0.08 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3fyp n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyp n LYS 159 N -0.00 4.18 -5.23 1.61 5.02 -1.26 -4.97 118.16 117.51 3fyp n LYS 159 Ca 0.14 -4.23 -0.31 0.00 -2.02 0.00 0.00 58.31 51.88 3fyp n LYS 159 Cb 0.57 -2.65 -0.16 0.00 -0.02 0.00 0.00 35.03 32.78 3fyp n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fyp s LEU 160 N -1.88 2.17 -0.06 -0.35 1.43 -1.26 -1.06 118.68 117.66 3fyp s LEU 160 Ca 0.34 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3fyp s LEU 160 Cb 0.06 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 3fyp s LEU 160 CO 0.07 0.30 -0.17 -0.63 0.23 0.00 0.00 176.35 176.15 3fyp s ILE 161 N -0.47 2.79 -0.18 -0.59 1.01 0.80 -4.15 121.20 120.41 3fyp s ILE 161 Ca 0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 3fyp s ILE 161 Cb -0.11 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3fyp s ILE 161 CO 0.01 0.57 0.01 -0.76 0.00 0.00 0.00 174.94 174.78 3fyp s LEU 162 N -0.43 3.47 -0.28 2.97 1.43 -0.25 -0.69 118.68 124.91 3fyp s LEU 162 Ca 0.05 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3fyp s LEU 162 Cb -0.12 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.31 3fyp s LEU 162 CO 0.02 0.14 -0.01 0.00 0.23 0.00 0.00 176.35 176.73 3fyp s GLU 164 N 1.23 4.25 0.00 0.00 2.56 -0.53 -1.19 118.70 125.01 3fyp s GLU 164 Ca 0.01 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.34 3fyp s GLU 164 Cb -0.19 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.87 3fyp s GLU 164 CO -0.10 -0.42 0.78 0.54 -0.56 0.00 0.00 175.26 175.50 3fyp n ARG 165 N 1.83 0.00 0.00 4.30 1.74 -1.26 -0.49 116.66 122.78 3fyp n ARG 165 Ca 0.05 -0.73 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 3fyp n ARG 165 Cb 0.40 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 3fyp n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyp n GLY 166 N 0.00 -0.01 3.10 -0.13 0.00 -1.26 -4.06 105.19 102.82 3fyp n GLY 166 Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 3fyp n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyp s SER 167 N -2.00 1.33 0.13 1.61 0.01 0.75 -4.16 113.70 111.37 3fyp s SER 167 Ca 0.00 -0.45 -0.33 0.00 1.31 0.00 0.00 55.95 56.48 3fyp s SER 167 Cb 0.00 -0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.05 3fyp s SER 167 CO 0.00 -0.03 1.73 -0.24 0.41 0.00 0.00 173.24 175.10 3fyp n SER 168 N 1.86 3.64 -3.61 2.44 2.88 -0.53 -1.31 113.62 119.00 3fyp n SER 168 Ca -0.19 1.04 -0.29 0.00 -1.33 0.00 0.00 58.87 58.10 3fyp n SER 168 Cb 0.55 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 62.39 3fyp n SER 168 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3fyp s PHE 169 N 1.87 1.50 0.00 0.66 5.36 -0.21 -4.82 117.98 122.34 3fyp s PHE 169 Ca 0.80 -2.13 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 3fyp s PHE 169 Cb -0.58 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 3fyp s PHE 169 CO 0.38 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.75 3fyp n GLY 170 N 3.69 0.65 3.74 13.12 0.00 -1.26 -3.98 105.19 121.15 3fyp n GLY 170 Ca 0.11 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3fyp n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyp s TYR 171 N 0.00 3.68 -0.56 1.61 2.02 -1.26 -4.39 117.35 118.45 3fyp s TYR 171 Ca 0.00 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.09 3fyp s TYR 171 Cb 0.00 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.75 3fyp s TYR 171 CO 0.00 0.21 0.00 -0.25 -1.57 0.00 0.00 175.55 173.94 3fyp n ASP 172 N 3.16 -5.66 -4.35 2.29 8.00 -1.26 -4.93 116.55 113.79 3fyp n ASP 172 Ca -0.02 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.41 3fyp n ASP 172 Cb 0.51 -3.63 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 3fyp n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fyp s ASN 173 N -2.22 2.65 0.10 -2.24 2.47 -1.26 -4.58 114.94 109.87 3fyp s ASN 173 Ca 0.00 -0.98 0.07 0.00 0.42 0.00 0.00 52.86 52.37 3fyp s ASN 173 Cb 0.00 -0.15 -0.03 0.00 -1.45 0.00 0.00 41.25 39.62 3fyp s ASN 173 CO 0.00 -0.12 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.32 3fyp s LEU 174 N -3.15 2.32 0.00 3.21 1.43 -1.26 -1.04 118.68 120.19 3fyp s LEU 174 Ca 0.21 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3fyp s LEU 174 Cb -0.02 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 3fyp s LEU 174 CO 0.07 -0.03 -0.10 0.54 0.23 0.00 0.00 176.35 177.06 3fyp s VAL 175 N -1.44 0.81 -0.28 -1.59 0.11 -0.42 -4.83 120.40 112.76 3fyp s VAL 175 Ca 0.05 -0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 58.45 3fyp s VAL 175 Cb -0.09 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 3fyp s VAL 175 CO 0.04 0.17 0.26 -0.69 -3.33 0.00 0.00 175.10 171.54 3fyp s VAL 176 N -0.36 5.26 -0.48 2.04 1.01 -1.26 -0.18 120.40 126.43 3fyp s VAL 176 Ca 0.03 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 3fyp s VAL 176 Cb -0.05 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3fyp s VAL 176 CO -0.00 0.20 0.82 -0.62 0.00 0.00 0.00 175.10 175.50 3fyp s ASP 177 N 1.72 6.39 0.55 3.32 2.15 -1.26 -4.91 116.67 124.63 3fyp s ASP 177 Ca 0.10 -0.20 0.34 0.00 0.43 0.00 0.00 52.55 53.22 3fyp s ASP 177 Cb -0.16 -2.40 1.45 0.00 -0.30 0.00 0.00 42.92 41.51 3fyp s ASP 177 CO 0.11 -1.00 2.01 0.24 -0.17 0.00 0.00 175.17 176.36 3fyp h MET 178 N 9.07 0.00 0.00 4.34 2.86 -1.98 -1.32 114.93 127.89 3fyp h MET 178 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3fyp h MET 178 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3fyp h MET 178 CO 1.00 0.00 0.00 -0.07 1.06 0.00 0.00 176.91 178.90 3fyp h LEU 179 N 0.00 0.00 -1.07 1.22 3.38 -2.02 -3.32 115.31 113.50 3fyp h LEU 179 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3fyp h LEU 179 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3fyp h LEU 179 CO 0.00 0.00 -0.16 1.23 0.09 0.00 0.00 178.44 179.60 3fyp h GLY 180 N 3.11 0.50 0.58 0.83 0.00 -1.65 -2.82 103.07 103.63 3fyp h GLY 180 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.02 3fyp h GLY 180 CO 0.00 0.33 0.14 0.74 0.00 0.00 0.00 176.54 177.76 3fyp h PHE 181 N 0.43 0.25 -0.21 5.60 -1.00 -1.72 -0.83 116.94 119.46 3fyp h PHE 181 Ca 0.08 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.78 3fyp h PHE 181 Cb 0.54 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3fyp h PHE 181 CO 0.02 0.09 -0.30 0.78 -1.61 0.00 0.00 178.31 177.28 3fyp h GLY 182 N 0.31 0.45 0.99 -1.45 0.00 -1.76 -1.05 103.07 100.56 3fyp h GLY 182 Ca 0.21 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3fyp h GLY 182 CO -0.22 0.36 0.17 -2.08 0.00 0.00 0.00 176.54 174.77 3fyp h VAL 183 N 0.37 1.24 -0.28 4.60 2.07 -1.19 -0.35 116.25 122.70 3fyp h VAL 183 Ca 0.05 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3fyp h VAL 183 Cb 0.72 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3fyp h VAL 183 CO 0.06 0.30 -0.24 0.24 0.02 0.00 0.00 177.57 177.95 3fyp h MET 184 N 0.76 0.66 -0.66 1.57 2.86 -0.83 -1.89 114.93 117.39 3fyp h MET 184 Ca 0.18 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3fyp h MET 184 Cb 0.28 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3fyp h MET 184 CO -0.01 0.93 0.42 0.87 1.06 0.00 0.00 176.91 180.19 3fyp h LYS 185 N 0.39 0.82 0.00 1.72 1.57 -0.93 -0.95 116.57 119.19 3fyp h LYS 185 Ca 0.05 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3fyp h LYS 185 Cb 0.79 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3fyp h LYS 185 CO 0.06 0.55 -0.53 1.96 -0.57 0.00 0.00 179.45 180.92 3fyp h GLN 186 N 0.85 0.00 0.00 3.15 7.50 -0.86 -0.32 115.11 125.42 3fyp h GLN 186 Ca 0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.40 3fyp h GLN 186 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.49 3fyp h GLN 186 CO -0.08 0.53 -0.91 0.25 -1.50 0.00 0.00 178.83 177.11 3fyp n THR 187 N -3.53 0.00 -1.17 -0.54 -2.24 -0.73 -4.50 114.28 101.56 3fyp n THR 187 Ca -0.00 -0.20 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3fyp n THR 187 Cb 0.62 0.81 0.15 0.00 -2.10 0.00 0.00 70.33 69.80 3fyp n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyp n GLY 189 N -1.37 0.16 2.41 0.00 0.00 -1.22 -3.08 105.19 102.10 3fyp n GLY 189 Ca 0.16 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 3fyp n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fyp n ASN 190 N 0.78 -5.50 -4.46 1.61 5.15 -0.13 -4.02 115.26 108.68 3fyp n ASN 190 Ca -0.08 0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.61 3fyp n ASN 190 Cb 0.53 -4.62 0.08 0.00 -0.53 0.00 0.00 39.78 35.25 3fyp n ASN 190 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fyp n LEU 191 N -2.92 0.78 -4.69 1.20 4.77 -1.18 -1.05 117.00 113.92 3fyp n LEU 191 Ca -0.23 0.53 -0.45 0.00 -0.03 0.00 0.00 56.01 55.84 3fyp n LEU 191 Cb 0.67 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 3fyp n LEU 191 CO 0.27 -3.16 1.27 -2.65 -1.33 0.00 0.00 177.39 171.78 3fyp n PRO 192 N -1.07 2.39 -4.59 3.23 -0.02 -1.25 -4.85 135.00 128.84 3fyp n PRO 192 Ca 0.09 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 62.10 3fyp n PRO 192 Cb 0.51 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.19 3fyp n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fyp s VAL 193 N 1.06 3.39 0.23 -1.45 1.01 -1.26 -1.09 120.40 122.29 3fyp s VAL 193 Ca 0.78 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.31 3fyp s VAL 193 Cb -0.61 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3fyp s VAL 193 CO 0.36 0.51 -0.17 0.27 0.00 0.00 0.00 175.10 176.07 3fyp s ILE 194 N 0.41 2.04 -0.24 2.22 -4.36 0.18 -0.54 121.20 120.91 3fyp s ILE 194 Ca -0.07 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.07 3fyp s ILE 194 Cb -0.15 -2.13 0.06 0.00 1.25 0.00 0.00 42.46 41.48 3fyp s ILE 194 CO 0.04 -0.50 -0.09 0.12 0.24 0.00 0.00 174.94 174.75 3fyp s PHE 195 N -2.72 2.90 -1.02 1.37 5.36 -0.69 -1.45 117.98 121.73 3fyp s PHE 195 Ca 0.25 -2.06 -0.20 0.00 -0.96 0.00 0.00 56.93 53.96 3fyp s PHE 195 Cb -0.03 -1.79 0.10 0.00 -0.34 0.00 0.00 43.02 40.96 3fyp s PHE 195 CO 0.10 -0.83 1.33 0.34 -1.46 0.00 0.00 175.22 174.70 3fyp s ASP 196 N 1.23 6.64 0.25 6.13 -1.08 0.36 -0.37 116.67 129.82 3fyp s ASP 196 Ca -0.07 -1.94 -0.04 0.00 -0.52 0.00 0.00 52.55 49.98 3fyp s ASP 196 Cb -0.19 -2.48 0.29 0.00 -1.46 0.00 0.00 42.92 39.08 3fyp s ASP 196 CO -0.06 -1.21 1.79 0.58 0.52 0.00 0.00 175.17 176.79 3fyp h VAL 197 N 6.07 1.24 -0.15 1.11 2.07 -1.76 -3.16 116.25 121.67 3fyp h VAL 197 Ca 0.21 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3fyp h VAL 197 Cb 0.99 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3fyp h VAL 197 CO 1.27 0.33 0.07 0.74 0.02 0.00 0.00 177.57 180.00 3fyp h THR 198 N 0.93 1.13 -0.63 2.57 2.02 -1.89 -2.40 112.91 114.65 3fyp h THR 198 Ca 0.20 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3fyp h THR 198 Cb 0.30 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3fyp h THR 198 CO -0.00 0.12 0.03 -0.74 0.37 0.00 0.00 175.52 175.30 3fyp h HIS 199 N 0.11 1.18 0.00 3.16 6.17 -1.90 -2.87 115.15 121.00 3fyp h HIS 199 Ca 0.05 -0.19 0.00 0.00 0.71 0.00 0.00 60.37 60.94 3fyp h HIS 199 Cb 0.14 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.75 3fyp h HIS 199 CO -0.02 1.02 0.07 0.77 0.71 0.00 0.00 177.93 180.48 3fyp h SER 200 N 1.00 0.00 -2.70 3.26 0.02 -1.40 -3.17 113.55 110.57 3fyp h SER 200 Ca 0.18 0.00 -0.79 0.00 -0.84 0.00 0.00 61.79 60.34 3fyp h SER 200 Cb 0.53 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.82 3fyp h SER 200 CO 0.03 0.00 0.99 0.18 -1.14 0.00 0.00 176.83 176.89 3fyp n LEU 201 N -2.36 6.26 0.02 5.07 4.77 -1.08 -4.76 117.00 124.93 3fyp n LEU 201 Ca -0.02 -5.04 -0.01 0.00 -0.03 0.00 0.00 56.01 50.91 3fyp n LEU 201 Cb 0.11 -1.36 -0.00 0.00 -2.33 0.00 0.00 43.42 39.83 3fyp n LEU 201 CO 0.10 1.53 0.34 0.06 -1.33 0.00 0.00 177.39 178.10 3fyp h GLN 202 N 5.78 -0.06 0.00 3.23 -0.00 -1.83 -3.51 115.11 118.72 3fyp h GLN 202 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3fyp h GLN 202 Cb 0.67 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 3fyp h GLN 202 CO 1.33 -0.04 0.00 2.41 -0.00 0.00 0.00 178.83 182.53 3fyp n THR 203 N -2.23 0.00 0.00 1.86 -1.04 -1.26 -5.03 114.28 106.58 3fyp n THR 203 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3fyp n THR 203 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3fyp n THR 203 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3fyp n SER 211 N -3.01 0.00 0.00 8.00 3.41 -1.26 -4.92 113.62 115.83 3fyp n SER 211 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3fyp n SER 211 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3fyp n SER 211 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fyp n GLY 212 N 0.00 0.54 7.00 5.00 0.00 -1.26 -4.68 105.19 111.79 3fyp n GLY 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fyp n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyp n GLY 213 N 0.00 2.47 0.22 -0.02 0.00 -1.26 -2.46 105.19 104.14 3fyp n GLY 213 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3fyp n GLY 213 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fyp h ARG 214 N 0.00 0.00 0.04 1.61 9.65 -1.99 -2.85 114.38 120.84 3fyp h ARG 214 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 3fyp h ARG 214 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3fyp h ARG 214 CO 0.00 0.21 -1.02 0.00 2.80 0.00 0.00 179.97 181.96 3fyp h ARG 215 N 0.00 0.23 -0.08 0.20 2.47 -1.86 -1.55 114.38 113.80 3fyp h ARG 215 Ca -0.00 -0.31 -0.14 0.00 -1.26 0.00 0.00 59.98 58.27 3fyp h ARG 215 Cb 0.80 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 3fyp h ARG 215 CO 0.03 1.07 -0.56 0.00 0.56 0.00 0.00 179.97 181.07 3fyp h ALA 216 N 0.81 0.92 0.00 0.04 0.00 -1.44 -2.57 119.26 117.02 3fyp h ALA 216 Ca -0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3fyp h ALA 216 Cb 1.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3fyp h ALA 216 CO 0.16 0.70 -0.00 1.96 0.00 0.00 0.00 179.25 182.07 3fyp h GLN 217 N 0.18 -0.00 -0.73 0.00 4.20 -1.25 -2.01 115.11 115.50 3fyp h GLN 217 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3fyp h GLN 217 Cb 1.04 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.76 3fyp h GLN 217 CO 0.09 0.56 0.42 0.00 -0.67 0.00 0.00 178.83 179.23 3fyp h ALA 218 N 0.42 0.99 0.16 3.87 0.00 -1.31 -0.97 119.26 122.42 3fyp h ALA 218 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fyp h ALA 218 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fyp h ALA 218 CO 0.00 0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.54 3fyp h LEU 219 N 0.77 -0.18 -0.59 0.00 5.85 -1.40 -0.54 115.31 119.22 3fyp h LEU 219 Ca 0.33 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3fyp h LEU 219 Cb 0.19 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3fyp h LEU 219 CO -0.18 -0.09 0.37 0.44 -0.34 0.00 0.00 178.44 178.64 3fyp h ASP 220 N -0.25 0.61 -0.37 1.25 3.32 -1.15 -0.28 116.42 119.55 3fyp h ASP 220 Ca -0.02 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3fyp h ASP 220 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3fyp h ASP 220 CO 0.04 0.43 -0.31 0.25 -1.72 0.00 0.00 179.24 177.93 3fyp h LEU 221 N 0.74 0.92 -0.42 1.55 5.85 -1.12 -1.02 115.31 121.80 3fyp h LEU 221 Ca 0.23 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3fyp h LEU 221 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3fyp h LEU 221 CO -0.09 1.18 0.11 0.00 -0.34 0.00 0.00 178.44 179.30 3fyp h ALA 222 N 0.77 0.56 -0.30 1.25 0.00 -0.83 -1.57 119.26 119.14 3fyp h ALA 222 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fyp h ALA 222 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3fyp h ALA 222 CO 0.08 0.23 0.19 -0.07 0.00 0.00 0.00 179.25 179.68 3fyp h LEU 223 N 0.55 0.35 -0.36 0.00 3.38 -0.98 -1.26 115.31 116.98 3fyp h LEU 223 Ca 0.13 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3fyp h LEU 223 Cb 0.30 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3fyp h LEU 223 CO -0.00 0.27 0.16 0.00 0.09 0.00 0.00 178.44 178.96 3fyp h ALA 224 N 1.09 0.44 -0.37 1.53 0.00 -1.00 -1.59 119.26 119.37 3fyp h ALA 224 Ca 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3fyp h ALA 224 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fyp h ALA 224 CO -0.02 -0.22 0.01 0.78 0.00 0.00 0.00 179.25 179.79 3fyp h GLY 225 N 0.33 0.69 2.00 0.00 0.00 -1.08 -2.90 103.07 102.12 3fyp h GLY 225 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3fyp h GLY 225 CO -0.13 0.46 0.00 -0.33 0.00 0.00 0.00 176.54 176.54 3fyp h MET 226 N 0.46 0.00 0.00 4.80 2.86 -1.03 -1.60 114.93 120.42 3fyp h MET 226 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3fyp h MET 226 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3fyp h MET 226 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3fyp h ALA 227 N 2.07 1.00 -0.01 6.32 0.00 -1.07 -1.94 119.26 125.63 3fyp h ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyp h ALA 227 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fyp h ALA 227 CO 0.00 0.00 -0.05 0.25 0.00 0.00 0.00 179.25 179.45 3fyp n THR 228 N -2.41 0.00 -1.73 0.00 -2.24 -0.60 -4.99 114.28 102.31 3fyp n THR 228 Ca 0.01 -0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3fyp n THR 228 Cb 0.18 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3fyp n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fyp n ARG 229 N 0.10 -0.66 -4.32 -0.78 0.63 -0.73 -4.94 116.66 105.97 3fyp n ARG 229 Ca 0.17 0.93 -0.19 0.00 -0.92 0.00 0.00 57.85 57.85 3fyp n ARG 229 Cb 0.37 -1.83 -0.10 0.00 0.45 0.00 0.00 32.46 31.34 3fyp n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fyp s LEU 230 N -0.33 2.51 0.26 6.15 1.43 -1.26 -4.88 118.68 122.56 3fyp s LEU 230 Ca 0.00 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.26 3fyp s LEU 230 Cb -0.00 -0.68 0.28 0.00 0.03 0.00 0.00 46.19 45.82 3fyp s LEU 230 CO 0.15 -0.15 1.56 0.00 0.23 0.00 0.00 176.35 178.14 3fyp h ALA 231 N 2.84 0.84 -2.09 4.21 0.00 -0.98 -3.43 119.26 120.65 3fyp h ALA 231 Ca -0.39 -0.59 0.23 0.00 0.00 0.00 0.00 54.91 54.16 3fyp h ALA 231 Cb 1.21 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 3fyp h ALA 231 CO 0.58 0.81 0.62 0.20 0.00 0.00 0.00 179.25 181.46 3fyp s GLY 232 N -4.50 -0.23 -0.01 0.00 0.00 -1.20 -1.81 107.32 99.58 3fyp s GLY 232 Ca -0.00 0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.98 3fyp s GLY 232 CO 0.76 0.65 -0.14 -2.27 0.00 0.00 0.00 173.10 172.10 3fyp s LEU 233 N -3.06 2.04 -0.14 0.66 2.96 -0.44 -1.70 118.68 119.00 3fyp s LEU 233 Ca 0.15 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3fyp s LEU 233 Cb 0.00 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 46.01 3fyp s LEU 233 CO 0.01 0.16 -0.09 0.12 -1.32 0.00 0.00 176.35 175.22 3fyp s PHE 234 N -0.39 1.85 -0.12 5.38 5.36 0.50 -0.86 117.98 129.70 3fyp s PHE 234 Ca 0.05 -1.06 0.02 0.00 -0.96 0.00 0.00 56.93 54.98 3fyp s PHE 234 Cb -0.06 -1.41 -0.00 0.00 -0.34 0.00 0.00 43.02 41.21 3fyp s PHE 234 CO -0.00 -0.61 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.44 3fyp s LEU 235 N 1.59 2.33 0.00 6.12 1.02 0.81 -2.60 118.68 127.96 3fyp s LEU 235 Ca 0.03 -0.48 0.24 0.00 0.02 0.00 0.00 54.13 53.94 3fyp s LEU 235 Cb -0.14 -1.49 0.19 0.00 0.02 0.00 0.00 46.19 44.78 3fyp s LEU 235 CO -0.09 0.15 1.23 1.21 0.02 0.00 0.00 176.35 178.87 3fyp n GLU 236 N 3.60 1.52 0.00 1.70 4.07 -1.26 -3.71 120.64 126.55 3fyp n GLU 236 Ca -0.19 -1.21 0.00 0.00 -0.06 0.00 0.00 57.16 55.70 3fyp n GLU 236 Cb 0.53 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 3fyp n GLU 236 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3fyp n SER 237 N 0.32 0.00 -0.47 4.31 3.41 -1.26 -4.60 113.62 115.32 3fyp n SER 237 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3fyp n SER 237 Cb 0.49 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3fyp n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fyp n HIS 238 N -1.92 -0.00 -1.42 7.33 1.44 -1.26 -4.99 115.22 114.40 3fyp n HIS 238 Ca 0.00 0.00 -0.54 0.00 -2.01 0.00 0.00 57.72 55.17 3fyp n HIS 238 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 3fyp n HIS 238 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3fyp n PRO 253 N 0.00 0.76 -3.27 -1.40 -0.02 -1.26 -4.84 135.00 124.97 3fyp n PRO 253 Ca 0.00 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 3fyp n PRO 253 Cb 0.00 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 3fyp n PRO 253 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fyp s LEU 254 N 6.50 4.09 -0.78 2.45 1.02 -1.26 -5.03 118.68 125.68 3fyp s LEU 254 Ca 1.11 1.03 0.03 0.00 0.02 0.00 0.00 54.13 56.32 3fyp s LEU 254 Cb -1.08 -3.82 0.22 0.00 0.02 0.00 0.00 46.19 41.53 3fyp s LEU 254 CO 0.56 -0.16 0.74 1.41 0.02 0.00 0.00 176.35 178.93 3fyp n HIS 255 N -0.41 3.59 0.04 0.29 8.25 -1.26 -4.94 115.22 120.78 3fyp n HIS 255 Ca 0.01 -4.07 -0.09 0.00 -0.26 0.00 0.00 57.72 53.32 3fyp n HIS 255 Cb 0.53 -0.82 0.06 0.00 1.12 0.00 0.00 29.99 30.88 3fyp n HIS 255 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fyp h LEU 256 N 5.21 0.50 -0.13 2.41 3.38 -1.99 -2.20 115.31 122.49 3fyp h LEU 256 Ca 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3fyp h LEU 256 Cb 0.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3fyp h LEU 256 CO 0.85 1.00 -0.05 0.25 0.09 0.00 0.00 178.44 180.58 3fyp h LEU 257 N 0.32 0.26 -0.75 1.67 5.85 -1.95 -1.99 115.31 118.72 3fyp h LEU 257 Ca -0.01 -0.39 -0.13 0.00 0.84 0.00 0.00 57.88 58.18 3fyp h LEU 257 Cb 1.17 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3fyp h LEU 257 CO 0.11 0.59 -0.54 1.05 -0.34 0.00 0.00 178.44 179.31 3fyp h GLU 258 N -0.08 0.23 -0.05 1.25 4.11 -1.95 -0.23 114.58 117.87 3fyp h GLU 258 Ca 0.03 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 3fyp h GLU 258 Cb 0.49 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3fyp h GLU 258 CO 0.02 0.71 0.02 -0.44 0.07 0.00 0.00 179.01 179.39 3fyp h ASP 259 N 0.18 0.06 0.13 3.06 3.32 -1.26 -0.03 116.42 121.88 3fyp h ASP 259 Ca 0.00 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 56.94 3fyp h ASP 259 Cb 1.01 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 3fyp h ASP 259 CO 0.08 0.18 -0.40 0.15 -1.72 0.00 0.00 179.24 177.53 3fyp h PHE 260 N -0.06 -1.13 -0.43 4.55 3.57 -0.99 -3.23 116.94 119.23 3fyp h PHE 260 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3fyp h PHE 260 Cb 0.13 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3fyp h PHE 260 CO -0.03 -0.50 0.05 -0.07 -2.23 0.00 0.00 178.31 175.52 3fyp h LEU 261 N -0.64 0.63 -0.86 0.59 3.38 -0.76 -2.07 115.31 115.58 3fyp h LEU 261 Ca 0.02 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.00 3fyp h LEU 261 Cb 0.67 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3fyp h LEU 261 CO -0.23 0.66 0.48 0.40 0.09 0.00 0.00 178.44 179.84 3fyp h ILE 262 N 0.64 0.82 0.04 1.22 2.04 -1.05 0.86 117.51 122.08 3fyp h ILE 262 Ca 0.14 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.48 3fyp h ILE 262 Cb 0.33 0.02 0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3fyp h ILE 262 CO 0.01 0.13 -1.09 0.03 0.00 0.00 0.00 178.15 177.23 3fyp h ARG 263 N 0.73 0.62 -0.69 2.37 3.08 -1.43 -2.32 114.38 116.75 3fyp h ARG 263 Ca 0.45 -0.72 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3fyp h ARG 263 Cb 0.54 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3fyp h ARG 263 CO -0.31 1.30 0.27 0.82 -1.07 0.00 0.00 179.97 180.98 3fyp h ILE 264 N 0.33 1.24 -0.55 2.04 1.08 -1.12 -2.33 117.51 118.20 3fyp h ILE 264 Ca -0.14 -0.77 -0.11 0.00 -0.39 0.00 0.00 64.86 63.45 3fyp h ILE 264 Cb 1.75 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 3fyp h ILE 264 CO 0.21 0.31 -0.10 0.50 -0.69 0.00 0.00 178.15 178.37 3fyp h LYS 265 N 0.98 1.04 -0.68 2.37 3.64 -0.82 0.57 116.57 123.68 3fyp h LYS 265 Ca 0.23 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3fyp h LYS 265 Cb 0.22 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3fyp h LYS 265 CO -0.02 1.08 0.43 0.00 -2.27 0.00 0.00 179.45 178.67 3fyp h ALA 266 N 0.94 0.87 -0.15 5.00 0.00 -1.15 0.12 119.26 124.89 3fyp h ALA 266 Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3fyp h ALA 266 Cb 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fyp h ALA 266 CO 0.05 0.23 -0.29 1.25 0.00 0.00 0.00 179.25 180.49 3fyp h LEU 267 N 0.87 0.52 -0.60 0.00 6.46 -1.03 -2.67 115.31 118.86 3fyp h LEU 267 Ca 0.26 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.44 3fyp h LEU 267 Cb -0.03 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3fyp h LEU 267 CO -0.08 0.97 0.22 -0.78 -0.62 0.00 0.00 178.44 178.15 3fyp h ASP 268 N 0.09 0.84 -0.89 1.25 3.58 -0.72 0.59 116.42 121.16 3fyp h ASP 268 Ca 0.01 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 3fyp h ASP 268 Cb 0.88 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 3fyp h ASP 268 CO 0.06 0.79 0.53 0.44 -2.88 0.00 0.00 179.24 178.19 3fyp h ASP 269 N 0.83 1.08 0.49 2.28 3.32 -0.71 -0.44 116.42 123.27 3fyp h ASP 269 Ca 0.20 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3fyp h ASP 269 Cb 0.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3fyp h ASP 269 CO -0.01 0.83 -0.24 0.25 -1.72 0.00 0.00 179.24 178.35 3fyp h LEU 270 N 1.24 -0.56 -0.67 1.55 5.85 -1.02 -2.59 115.31 119.11 3fyp h LEU 270 Ca 0.32 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.10 3fyp h LEU 270 Cb -0.04 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 3fyp h LEU 270 CO -0.06 -0.21 0.14 0.40 -0.34 0.00 0.00 178.44 178.37 3fyp h ILE 271 N -0.94 0.57 0.00 4.05 1.08 -0.65 -1.54 117.51 120.08 3fyp h ILE 271 Ca -0.07 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3fyp h ILE 271 Cb 0.60 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3fyp h ILE 271 CO 0.11 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 177.91 3fyp n LYS 272 N -5.15 0.14 0.00 2.37 4.76 -0.20 -1.92 118.16 118.16 3fyp n LYS 272 Ca 0.12 0.20 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 3fyp n LYS 272 Cb 0.39 -1.69 0.25 0.00 -1.84 0.00 0.00 35.03 32.14 3fyp n LYS 272 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3fyp n SER 273 N -1.93 0.51 -4.74 4.39 3.41 -0.60 -4.85 113.62 109.81 3fyp n SER 273 Ca 0.05 -0.26 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 3fyp n SER 273 Cb 0.33 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 3fyp n SER 273 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fyp s GLN 274 N -3.00 4.48 0.51 4.33 -0.21 -0.81 -5.04 119.66 119.92 3fyp s GLN 274 Ca 0.11 1.03 -0.23 0.00 0.02 0.00 0.00 55.36 56.29 3fyp s GLN 274 Cb 0.17 -3.38 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 3fyp s GLN 274 CO 0.70 0.24 1.38 -2.14 -2.12 0.00 0.00 175.29 173.35 3fyp s PRO 275 N 0.13 3.37 0.16 2.91 0.02 -1.26 -4.99 135.00 135.33 3fyp s PRO 275 Ca 0.39 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 3fyp s PRO 275 Cb -0.20 -2.41 -0.07 0.00 0.02 0.00 0.00 34.50 31.84 3fyp s PRO 275 CO 0.22 -1.03 1.03 0.42 -0.33 0.00 0.00 177.00 177.31 3fyp s ILE 276 N -1.27 4.15 0.74 2.83 1.01 -1.26 -5.04 121.20 122.36 3fyp s ILE 276 Ca 0.67 1.85 -0.11 0.00 0.00 0.00 0.00 60.65 63.06 3fyp s ILE 276 Cb -0.41 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 37.93 3fyp s ILE 276 CO 0.51 0.31 1.11 -0.76 0.00 0.00 0.00 174.94 176.11 3fyp s LEU 277 N -0.28 2.73 0.00 2.97 1.43 -1.26 -5.30 118.68 118.97 3fyp s LEU 277 Ca 0.48 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3fyp s LEU 277 Cb -0.27 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3fyp s LEU 277 CO 0.32 -1.60 0.00 1.07 0.23 0.00 0.00 176.35 176.37