#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfq s LEU 4 N 0.00 3.00 -0.05 -0.89 2.96 -0.24 -1.68 118.68 121.78 3gfq s LEU 4 Ca 0.00 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 3gfq s LEU 4 Cb 0.00 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3gfq s LEU 4 CO 0.00 0.34 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.48 3gfq s VAL 5 N -0.83 2.60 -0.13 1.68 1.01 -0.28 -0.51 120.40 123.94 3gfq s VAL 5 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3gfq s VAL 5 Cb -0.11 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3gfq s VAL 5 CO 0.03 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 174.95 3gfq s ILE 6 N -0.55 1.39 -0.26 2.22 1.01 -0.80 -0.84 121.20 123.37 3gfq s ILE 6 Ca 0.08 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3gfq s ILE 6 Cb -0.11 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3gfq s ILE 6 CO 0.01 0.43 0.99 0.21 0.00 0.00 0.00 174.94 176.57 3gfq s ASN 7 N 1.37 6.97 0.25 3.58 2.47 -0.62 -2.37 114.94 126.59 3gfq s ASN 7 Ca 0.01 1.16 0.14 0.00 0.42 0.00 0.00 52.86 54.59 3gfq s ASN 7 Cb -0.13 -2.51 0.05 0.00 -1.45 0.00 0.00 41.25 37.21 3gfq s ASN 7 CO -0.07 -0.70 1.43 1.23 -3.72 0.00 0.00 177.10 175.28 3gfq h GLY 8 N 9.58 0.00 -4.18 1.21 0.00 -1.61 -2.95 103.07 105.12 3gfq h GLY 8 Ca -0.21 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.60 3gfq h GLY 8 CO 0.97 0.00 0.43 -1.08 0.00 0.00 0.00 176.54 176.86 3gfq s THR 9 N -2.95 4.24 -0.28 4.70 -1.32 -1.26 -4.26 115.64 114.49 3gfq s THR 9 Ca 0.03 1.81 0.20 0.00 -1.21 0.00 0.00 61.69 62.53 3gfq s THR 9 Cb 0.08 -4.16 0.13 0.00 -1.51 0.00 0.00 72.50 67.05 3gfq s THR 9 CO 0.76 0.26 1.34 -0.65 -2.21 0.00 0.00 174.62 174.11 3gfq h PRO 10 N 5.70 0.00 -6.23 7.08 0.11 -1.88 -3.00 132.00 133.78 3gfq h PRO 10 Ca -0.43 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 3gfq h PRO 10 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3gfq h PRO 10 CO 0.74 0.16 0.95 1.03 -0.21 0.00 0.00 178.00 180.66 3gfq s ARG 11 N -3.15 4.23 0.30 1.05 0.52 -1.26 -4.17 118.95 116.46 3gfq s ARG 11 Ca 0.03 1.89 -0.01 0.00 -0.52 0.00 0.00 55.73 57.13 3gfq s ARG 11 Cb 0.07 -3.80 0.46 0.00 0.52 0.00 0.00 34.95 32.20 3gfq s ARG 11 CO 0.73 -0.72 1.89 0.87 0.02 0.00 0.00 175.30 178.09 3gfq h LYS 12 N 8.56 0.86 -0.97 3.54 1.57 -1.87 -0.76 116.57 127.51 3gfq h LYS 12 Ca -0.33 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 3gfq h LYS 12 Cb 1.14 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3gfq h LYS 12 CO 0.95 0.70 0.10 -2.39 -0.57 0.00 0.00 179.45 178.23 3gfq n HIS 13 N -4.33 0.60 -3.29 -1.35 1.44 -1.26 -4.92 115.22 102.10 3gfq n HIS 13 Ca 0.05 -0.58 -0.34 0.00 -2.01 0.00 0.00 57.72 54.84 3gfq n HIS 13 Cb 0.16 -0.33 -0.06 0.00 0.12 0.00 0.00 29.99 29.88 3gfq n HIS 13 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3gfq s GLY 14 N 0.27 2.41 0.07 -1.39 0.00 -0.29 -5.01 107.32 103.38 3gfq s GLY 14 Ca 0.12 -0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 3gfq s GLY 14 CO 0.03 0.14 1.37 3.21 0.00 0.00 0.00 173.10 177.86 3gfq h ARG 15 N 3.02 0.51 -0.62 2.90 3.08 -1.91 -2.89 114.38 118.47 3gfq h ARG 15 Ca -0.48 -0.27 0.18 0.00 0.07 0.00 0.00 59.98 59.48 3gfq h ARG 15 Cb 1.18 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3gfq h ARG 15 CO 0.67 0.85 0.46 1.15 -1.07 0.00 0.00 179.97 182.03 3gfq h THR 16 N 0.19 0.63 -0.01 2.04 2.02 -1.94 0.74 112.91 116.58 3gfq h THR 16 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3gfq h THR 16 Cb 0.76 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3gfq h THR 16 CO 0.05 0.00 -0.00 -0.09 0.37 0.00 0.00 175.52 175.85 3gfq h ARG 17 N 0.00 0.02 -0.83 6.66 2.43 -1.83 -1.21 114.38 119.62 3gfq h ARG 17 Ca 0.29 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.57 3gfq h ARG 17 Cb 1.22 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 3gfq h ARG 17 CO -0.00 0.36 0.46 0.82 -1.51 0.00 0.00 179.97 180.09 3gfq h ILE 18 N -0.32 0.83 -0.31 1.20 2.04 -0.82 0.16 117.51 120.30 3gfq h ILE 18 Ca 0.00 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3gfq h ILE 18 Cb 0.35 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3gfq h ILE 18 CO 0.00 0.13 0.03 0.00 0.00 0.00 0.00 178.15 178.31 3gfq h ALA 19 N 1.50 0.41 -0.42 1.87 0.00 -1.29 -1.12 119.26 120.20 3gfq h ALA 19 Ca 0.43 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gfq h ALA 19 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3gfq h ALA 19 CO -0.30 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.33 3gfq h ALA 20 N 0.86 0.53 -0.12 0.00 0.00 -0.18 -2.08 119.26 118.27 3gfq h ALA 20 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gfq h ALA 20 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gfq h ALA 20 CO 0.01 -0.09 0.08 0.77 0.00 0.00 0.00 179.25 180.02 3gfq h SER 21 N 0.49 0.15 -0.54 0.00 0.02 -0.62 -1.06 113.55 111.99 3gfq h SER 21 Ca 0.17 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 3gfq h SER 21 Cb 0.02 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.45 3gfq h SER 21 CO -0.09 0.15 0.10 0.22 -1.14 0.00 0.00 176.83 176.07 3gfq h TYR 22 N 0.14 0.15 0.16 3.45 3.20 -0.96 -0.08 116.97 123.02 3gfq h TYR 22 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3gfq h TYR 22 Cb 0.03 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3gfq h TYR 22 CO -0.06 -0.03 -0.08 0.82 -1.64 0.00 0.00 178.16 177.17 3gfq h ILE 23 N 0.23 0.97 -0.08 1.81 2.04 -1.14 0.29 117.51 121.63 3gfq h ILE 23 Ca 0.28 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3gfq h ILE 23 Cb 0.40 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3gfq h ILE 23 CO -0.37 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.12 3gfq h ALA 24 N 0.09 1.45 0.00 1.87 0.00 -1.05 -1.19 119.26 120.43 3gfq h ALA 24 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gfq h ALA 24 Cb 0.47 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gfq h ALA 24 CO 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 179.25 178.99 3gfq h ALA 25 N 1.75 0.01 -0.65 0.00 0.00 -0.69 0.21 119.26 119.89 3gfq h ALA 25 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3gfq h ALA 25 Cb 0.36 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3gfq h ALA 25 CO -0.00 0.07 -0.54 1.25 0.00 0.00 0.00 179.25 180.03 3gfq h LEU 26 N -1.00 -1.90 -2.57 0.00 7.12 0.31 -1.14 115.31 116.14 3gfq h LEU 26 Ca -0.02 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.26 3gfq h LEU 26 Cb 0.41 0.81 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 3gfq h LEU 26 CO -0.01 -0.30 0.00 -1.22 -0.13 0.00 0.00 178.44 176.78 3gfq n TYR 27 N -5.17 1.25 -4.04 1.25 4.02 -0.52 -4.93 117.16 109.02 3gfq n TYR 27 Ca -0.01 -0.47 -0.44 0.00 -0.01 0.00 0.00 57.90 56.97 3gfq n TYR 27 Cb 0.29 -0.26 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 3gfq n TYR 27 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gfq n HIS 28 N 0.69 -1.45 -3.36 -0.72 8.25 -0.43 -4.94 115.22 113.26 3gfq n HIS 28 Ca 0.20 0.16 -0.22 0.00 -0.26 0.00 0.00 57.72 57.60 3gfq n HIS 28 Cb 0.78 -2.88 0.03 0.00 1.12 0.00 0.00 29.99 29.03 3gfq n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3gfq s THR 29 N -3.59 2.01 0.65 1.59 -4.23 0.71 -5.01 115.64 107.78 3gfq s THR 29 Ca 0.45 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 3gfq s THR 29 Cb -0.24 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 3gfq s THR 29 CO 0.96 0.00 1.05 -0.62 -0.54 0.00 0.00 174.62 175.47 3gfq s ASP 30 N -4.50 5.95 -0.08 3.99 2.15 -0.67 -4.82 116.67 118.69 3gfq s ASP 30 Ca 0.51 1.39 -0.04 0.00 0.43 0.00 0.00 52.55 54.84 3gfq s ASP 30 Cb -0.04 -2.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 3gfq s ASP 30 CO 0.32 -1.05 0.18 -0.22 -0.17 0.00 0.00 175.17 174.23 3gfq s LEU 31 N -5.27 0.73 -0.39 -1.34 2.96 -1.26 -1.13 118.68 112.98 3gfq s LEU 31 Ca 0.56 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 3gfq s LEU 31 Cb -0.11 0.51 0.11 0.00 0.50 0.00 0.00 46.19 47.19 3gfq s LEU 31 CO 0.54 -0.14 0.15 -0.63 -1.32 0.00 0.00 176.35 174.95 3gfq s ILE 32 N 1.02 2.83 -0.49 6.68 -1.09 -0.02 -4.97 121.20 125.17 3gfq s ILE 32 Ca -0.08 -2.27 -0.20 0.00 -2.23 0.00 0.00 60.65 55.87 3gfq s ILE 32 Cb -0.09 -3.00 0.05 0.00 -1.58 0.00 0.00 42.46 37.83 3gfq s ILE 32 CO -0.06 -0.66 0.65 -0.62 -1.23 0.00 0.00 174.94 173.02 3gfq s ASP 33 N 1.29 6.26 0.54 3.58 -1.08 -1.26 -1.59 116.67 124.40 3gfq s ASP 33 Ca 0.10 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 3gfq s ASP 33 Cb -0.21 -2.31 1.53 0.00 -1.46 0.00 0.00 42.92 40.47 3gfq s ASP 33 CO -0.06 -0.88 2.12 -0.07 0.52 0.00 0.00 175.17 176.81 3gfq h LEU 34 N 9.79 0.00 -1.15 -1.34 4.07 -1.73 1.70 115.31 126.65 3gfq h LEU 34 Ca -0.27 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 3gfq h LEU 34 Cb 1.09 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 3gfq h LEU 34 CO 0.95 0.09 0.26 0.77 -1.08 0.00 0.00 178.44 179.42 3gfq h SER 35 N 0.00 0.78 0.02 -0.43 4.64 -1.69 -3.26 113.55 113.61 3gfq h SER 35 Ca -0.00 -0.09 -0.39 0.00 -0.47 0.00 0.00 61.79 60.83 3gfq h SER 35 Cb 0.23 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3gfq h SER 35 CO 0.01 0.68 -2.39 -0.62 -0.87 0.00 0.00 176.83 173.65 3gfq n GLU 36 N -4.34 0.65 -2.23 4.77 1.02 -0.55 -4.68 120.64 115.29 3gfq n GLU 36 Ca 0.05 0.20 -0.39 0.00 -0.02 0.00 0.00 57.16 56.99 3gfq n GLU 36 Cb 0.15 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 3gfq n GLU 36 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gfq n PHE 37 N -3.48 3.84 -3.15 -0.32 7.35 0.57 -4.95 117.46 117.33 3gfq n PHE 37 Ca -0.45 -2.46 -0.40 0.00 -0.76 0.00 0.00 57.45 53.39 3gfq n PHE 37 Cb 0.97 -2.56 -0.06 0.00 0.35 0.00 0.00 39.48 38.19 3gfq n PHE 37 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gfq s VAL 38 N 5.77 5.06 0.30 -2.13 1.01 -1.26 -4.48 120.40 124.68 3gfq s VAL 38 Ca 0.57 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.79 3gfq s VAL 38 Cb 0.05 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3gfq s VAL 38 CO 0.07 0.17 0.27 -0.76 0.00 0.00 0.00 175.10 174.85 3gfq s LEU 39 N 1.51 3.72 0.67 3.92 1.43 -1.26 -5.05 118.68 123.61 3gfq s LEU 39 Ca 0.29 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3gfq s LEU 39 Cb -0.16 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 3gfq s LEU 39 CO 0.11 -0.24 1.06 -2.84 0.23 0.00 0.00 176.35 174.68 3gfq s PRO 40 N -3.95 3.16 -0.22 1.29 0.02 -1.26 -5.00 135.00 129.05 3gfq s PRO 40 Ca 0.38 0.71 -0.29 0.00 0.02 0.00 0.00 61.00 61.82 3gfq s PRO 40 Cb -0.07 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 3gfq s PRO 40 CO 0.26 -0.88 1.44 0.08 -0.33 0.00 0.00 177.00 177.57 3gfq s VAL 41 N -3.20 3.96 0.10 3.83 1.01 -1.26 -4.94 120.40 119.91 3gfq s VAL 41 Ca 0.57 1.12 -0.34 0.00 0.00 0.00 0.00 61.98 63.32 3gfq s VAL 41 Cb -0.12 -3.89 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 3gfq s VAL 41 CO 0.54 -0.29 0.89 0.33 0.00 0.00 0.00 175.10 176.57 3gfq n PHE 42 N 7.61 0.36 -0.68 5.22 7.35 -1.26 -4.89 117.46 131.17 3gfq n PHE 42 Ca 0.16 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.81 3gfq n PHE 42 Cb 0.45 -2.08 0.00 0.00 0.35 0.00 0.00 39.48 38.21 3gfq n PHE 42 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3gfq n ASN 43 N 1.77 0.46 -0.06 -2.13 0.23 -1.26 -5.03 115.26 109.25 3gfq n ASN 43 Ca 0.18 -1.14 -0.01 0.00 -0.53 0.00 0.00 54.58 53.08 3gfq n ASN 43 Cb 0.17 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3gfq n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gfq n GLY 44 N -0.07 0.43 3.85 4.83 0.00 -1.26 -5.01 105.19 107.97 3gfq n GLY 44 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3gfq n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfq s GLU 45 N -0.79 3.35 0.56 1.61 2.02 -1.26 -5.00 118.70 119.19 3gfq s GLU 45 Ca 0.00 -0.23 0.37 0.00 0.02 0.00 0.00 54.97 55.13 3gfq s GLU 45 Cb 0.00 -3.09 1.85 0.00 0.10 0.00 0.00 34.13 32.99 3gfq s GLU 45 CO 0.00 0.74 2.12 0.00 0.02 0.00 0.00 175.26 178.14 3gfq h ALA 46 N 4.70 1.00 -0.41 5.21 0.00 -2.02 -2.13 119.26 125.61 3gfq h ALA 46 Ca -0.53 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gfq h ALA 46 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3gfq h ALA 46 CO 0.60 0.00 0.25 0.93 0.00 0.00 0.00 179.25 181.03 3gfq h GLU 47 N 0.00 0.55 0.00 0.00 3.07 -2.00 -0.95 114.58 115.25 3gfq h GLU 47 Ca 0.00 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 3gfq h GLU 47 Cb 0.18 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3gfq h GLU 47 CO 0.00 0.38 -0.21 1.96 -1.40 0.00 0.00 179.01 179.74 3gfq h GLN 48 N 0.56 0.00 -0.01 2.33 4.20 -1.81 -2.37 115.11 118.02 3gfq h GLN 48 Ca 0.15 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 3gfq h GLN 48 Cb -0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3gfq h GLN 48 CO -0.03 0.21 -0.33 0.77 -0.67 0.00 0.00 178.83 178.78 3gfq h SER 49 N 0.00 0.01 -0.01 1.46 0.02 -1.32 -1.95 113.55 111.76 3gfq h SER 49 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3gfq h SER 49 Cb 0.42 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3gfq h SER 49 CO 0.03 0.35 0.00 -0.62 -1.14 0.00 0.00 176.83 175.44 3gfq n GLU 50 N -4.14 1.05 -3.34 3.45 4.71 -0.89 -4.41 120.64 117.07 3gfq n GLU 50 Ca -0.02 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.16 56.70 3gfq n GLU 50 Cb 0.38 -1.21 -0.07 0.00 -1.01 0.00 0.00 31.44 29.54 3gfq n GLU 50 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3gfq s LEU 51 N -0.63 4.21 0.16 -4.62 1.02 -0.73 -4.99 118.68 113.09 3gfq s LEU 51 Ca 0.01 0.68 -0.20 0.00 0.02 0.00 0.00 54.13 54.64 3gfq s LEU 51 Cb 0.01 -2.62 0.06 0.00 0.02 0.00 0.00 46.19 43.65 3gfq s LEU 51 CO 0.00 -0.05 1.65 -0.07 0.02 0.00 0.00 176.35 177.90 3gfq h LEU 52 N 7.22 -0.59 -0.92 1.79 4.07 -1.88 0.68 115.31 125.69 3gfq h LEU 52 Ca -0.38 0.13 0.25 0.00 0.08 0.00 0.00 57.88 57.96 3gfq h LEU 52 Cb 1.17 0.31 -0.14 0.00 1.08 0.00 0.00 40.66 43.08 3gfq h LEU 52 CO 0.74 -0.21 0.37 0.11 -1.08 0.00 0.00 178.44 178.37 3gfq h LYS 53 N -0.13 0.29 0.22 1.13 1.79 -1.95 0.42 116.57 118.34 3gfq h LYS 53 Ca 0.16 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 3gfq h LYS 53 Cb 0.38 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3gfq h LYS 53 CO -0.40 0.19 -0.10 0.28 -1.08 0.00 0.00 179.45 178.34 3gfq h VAL 54 N 0.30 0.86 -0.58 0.50 2.07 -1.20 -1.06 116.25 117.14 3gfq h VAL 54 Ca 0.60 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3gfq h VAL 54 Cb 1.23 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3gfq h VAL 54 CO -0.60 0.15 0.26 1.56 0.02 0.00 0.00 177.57 178.96 3gfq h GLN 55 N -0.67 0.85 -0.08 1.57 4.20 -0.17 0.10 115.11 120.92 3gfq h GLN 55 Ca -0.03 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3gfq h GLN 55 Cb 0.47 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3gfq h GLN 55 CO 0.05 0.71 -0.06 1.49 -0.67 0.00 0.00 178.83 180.34 3gfq h GLU 56 N 0.79 -0.07 0.11 1.46 4.81 -0.26 0.27 114.58 121.69 3gfq h GLU 56 Ca 0.20 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3gfq h GLU 56 Cb 0.15 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3gfq h GLU 56 CO -0.02 -0.05 -0.47 1.25 -0.73 0.00 0.00 179.01 178.99 3gfq h LEU 57 N -0.08 -1.42 -0.57 1.64 5.85 -0.69 0.80 115.31 120.85 3gfq h LEU 57 Ca 0.06 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.05 3gfq h LEU 57 Cb 0.16 0.53 -0.11 0.00 0.37 0.00 0.00 40.66 41.61 3gfq h LEU 57 CO -0.13 -0.52 -0.10 0.11 -0.34 0.00 0.00 178.44 177.45 3gfq h LYS 58 N -0.70 0.03 0.07 1.25 1.57 -0.59 -1.54 116.57 116.65 3gfq h LYS 58 Ca 0.01 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gfq h LYS 58 Cb 0.72 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3gfq h LYS 58 CO -0.28 0.02 -0.03 0.37 -0.57 0.00 0.00 179.45 178.96 3gfq h GLN 59 N 0.03 -0.09 0.00 3.15 4.15 -0.36 -1.26 115.11 120.73 3gfq h GLN 59 Ca 0.28 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 3gfq h GLN 59 Cb 0.44 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 3gfq h GLN 59 CO -0.56 0.15 -0.13 0.00 -1.93 0.00 0.00 178.83 176.36 3gfq h ARG 60 N -0.32 0.00 -0.05 1.69 3.08 -0.64 -1.04 114.38 117.11 3gfq h ARG 60 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gfq h ARG 60 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gfq h ARG 60 CO 0.02 0.13 -0.26 0.28 -1.07 0.00 0.00 179.97 179.06 3gfq h VAL 61 N 0.00 1.46 -0.91 2.04 2.07 -1.12 -3.06 116.25 116.73 3gfq h VAL 61 Ca -0.00 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3gfq h VAL 61 Cb 0.23 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3gfq h VAL 61 CO 0.02 0.49 0.55 0.74 0.02 0.00 0.00 177.57 179.38 3gfq h THR 62 N -0.29 1.25 0.00 2.57 2.02 -0.79 -2.64 112.91 115.04 3gfq h THR 62 Ca -0.02 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3gfq h THR 62 Cb 0.93 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3gfq h THR 62 CO 0.05 0.26 0.00 2.29 0.37 0.00 0.00 175.52 178.50 3gfq n LYS 63 N -4.39 0.10 -2.42 6.66 2.85 -0.43 -4.80 118.16 115.73 3gfq n LYS 63 Ca 0.10 0.02 -0.41 0.00 -1.05 0.00 0.00 58.31 56.96 3gfq n LYS 63 Cb 0.06 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 3gfq n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gfq s ALA 64 N -2.90 3.41 -0.18 0.58 0.00 -1.00 -4.93 121.76 116.75 3gfq s ALA 64 Ca 0.17 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.17 3gfq s ALA 64 Cb 0.18 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.95 3gfq s ALA 64 CO 0.49 -0.37 1.37 0.38 0.00 0.00 0.00 175.76 177.63 3gfq h ASP 65 N 5.90 0.00 -5.00 0.00 2.03 -1.88 -3.47 116.42 114.01 3gfq h ASP 65 Ca -0.43 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.80 3gfq h ASP 65 Cb 1.21 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.52 3gfq h ASP 65 CO 0.77 0.46 0.14 0.00 -1.03 0.00 0.00 179.24 179.58 3gfq s ALA 66 N -2.99 -1.65 -0.03 4.15 0.00 -1.26 -4.38 121.76 115.60 3gfq s ALA 66 Ca 0.03 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.20 3gfq s ALA 66 Cb 0.08 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3gfq s ALA 66 CO 0.75 -0.37 -0.11 0.42 0.00 0.00 0.00 175.76 176.45 3gfq s ILE 67 N -1.29 0.95 -0.38 0.00 1.01 -0.41 -1.08 121.20 119.99 3gfq s ILE 67 Ca -0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 3gfq s ILE 67 Cb -0.01 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.66 3gfq s ILE 67 CO 0.09 0.29 0.24 -0.69 0.00 0.00 0.00 174.94 174.86 3gfq s VAL 68 N 0.07 4.84 -0.34 2.92 1.01 0.33 -1.41 120.40 127.83 3gfq s VAL 68 Ca -0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3gfq s VAL 68 Cb -0.08 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3gfq s VAL 68 CO 0.01 -0.23 0.36 -0.22 0.00 0.00 0.00 175.10 175.02 3gfq s LEU 69 N 1.61 4.41 0.13 3.92 2.96 -0.07 -1.90 118.68 129.73 3gfq s LEU 69 Ca 0.03 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 3gfq s LEU 69 Cb -0.19 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3gfq s LEU 69 CO 0.08 -0.33 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.90 3gfq s LEU 70 N 2.02 2.93 -0.20 -0.68 1.02 -1.00 -1.23 118.68 121.54 3gfq s LEU 70 Ca 0.12 -0.48 -0.27 0.00 0.02 0.00 0.00 54.13 53.51 3gfq s LEU 70 Cb -0.16 -1.71 0.10 0.00 0.02 0.00 0.00 46.19 44.43 3gfq s LEU 70 CO 0.12 0.16 0.89 -0.55 0.02 0.00 0.00 176.35 176.98 3gfq s SER 71 N -2.34 -0.54 0.83 2.29 0.15 -0.74 -1.61 113.70 111.75 3gfq s SER 71 Ca 0.21 0.85 -0.11 0.00 0.70 0.00 0.00 55.95 57.60 3gfq s SER 71 Cb -0.10 0.79 0.09 0.00 -1.71 0.00 0.00 66.02 65.09 3gfq s SER 71 CO 0.13 -0.31 1.09 -2.16 1.20 0.00 0.00 173.24 173.19 3gfq s PRO 72 N -0.36 1.77 -0.58 5.44 0.04 -1.26 -1.34 135.00 138.71 3gfq s PRO 72 Ca -0.02 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 3gfq s PRO 72 Cb -0.03 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.73 3gfq s PRO 72 CO 0.01 -1.94 0.81 -2.00 0.04 0.00 0.00 177.00 173.92 3gfq s GLU 73 N -4.90 3.14 -0.39 4.56 2.12 -0.98 -3.84 118.70 118.41 3gfq s GLU 73 Ca 0.62 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.97 3gfq s GLU 73 Cb -0.18 -4.17 0.01 0.00 0.26 0.00 0.00 34.13 30.05 3gfq s GLU 73 CO 0.57 -1.53 0.29 0.71 -0.54 0.00 0.00 175.26 174.75 3gfq s TYR 74 N 3.36 3.23 -1.19 5.30 4.12 0.79 -4.57 117.35 128.40 3gfq s TYR 74 Ca 0.20 -0.44 -0.20 0.00 0.02 0.00 0.00 57.07 56.64 3gfq s TYR 74 Cb -0.18 -2.57 0.00 0.00 -1.52 0.00 0.00 41.96 37.69 3gfq s TYR 74 CO 0.12 -0.52 0.72 0.72 0.02 0.00 0.00 175.55 176.61 3gfq n HIS 75 N 5.17 -1.78 -3.27 2.71 8.25 -1.26 -1.99 115.22 123.06 3gfq n HIS 75 Ca -0.11 0.42 -0.24 0.00 -0.26 0.00 0.00 57.72 57.53 3gfq n HIS 75 Cb 0.48 -3.36 0.03 0.00 1.12 0.00 0.00 29.99 28.25 3gfq n HIS 75 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3gfq n SER 76 N -2.63 -5.28 -3.80 0.41 7.64 -1.26 -4.93 113.62 103.77 3gfq n SER 76 Ca -0.13 -0.39 -0.06 0.00 1.01 0.00 0.00 58.87 59.30 3gfq n SER 76 Cb 0.60 -4.27 -0.02 0.00 -1.01 0.00 0.00 64.21 59.51 3gfq n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gfq s GLY 77 N -2.82 -0.16 0.89 0.23 0.00 -0.84 -4.15 107.32 100.46 3gfq s GLY 77 Ca 0.40 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 3gfq s GLY 77 CO 0.49 -0.04 1.10 -3.16 0.00 0.00 0.00 173.10 171.49 3gfq s MET 78 N -3.74 1.26 0.31 2.90 0.00 -1.26 -0.15 119.30 118.61 3gfq s MET 78 Ca 0.11 1.17 -0.29 0.00 0.00 0.00 0.00 55.69 56.67 3gfq s MET 78 Cb -0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 34.83 32.90 3gfq s MET 78 CO 0.04 -2.34 1.33 -1.54 0.00 0.00 0.00 175.02 172.51 3gfq s SER 79 N -3.07 6.76 0.27 -1.18 1.04 -1.25 -4.54 113.70 111.73 3gfq s SER 79 Ca 0.64 2.66 -0.00 0.00 0.48 0.00 0.00 55.95 59.73 3gfq s SER 79 Cb -0.20 -2.64 0.56 0.00 0.10 0.00 0.00 66.02 63.84 3gfq s SER 79 CO 0.58 -0.56 1.76 1.23 0.98 0.00 0.00 173.24 177.23 3gfq h GLY 80 N 3.81 1.43 -0.14 7.32 0.00 -1.92 -1.19 103.07 112.39 3gfq h GLY 80 Ca -0.48 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 46.69 3gfq h GLY 80 CO 0.68 -0.04 -0.19 0.00 0.00 0.00 0.00 176.54 177.00 3gfq h ALA 81 N 1.57 0.24 -0.49 3.60 0.00 -1.91 0.35 119.26 122.62 3gfq h ALA 81 Ca 0.48 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.51 3gfq h ALA 81 Cb 0.68 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3gfq h ALA 81 CO -0.36 -0.50 0.03 1.25 0.00 0.00 0.00 179.25 179.66 3gfq h LEU 82 N -0.06 0.82 -0.37 0.00 5.85 -1.43 -1.52 115.31 118.60 3gfq h LEU 82 Ca 0.25 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3gfq h LEU 82 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3gfq h LEU 82 CO -0.57 0.91 0.16 0.50 -0.34 0.00 0.00 178.44 179.10 3gfq h LYS 83 N 0.71 0.55 -0.90 1.25 3.11 -0.59 -0.66 116.57 120.04 3gfq h LYS 83 Ca 0.14 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 57.94 3gfq h LYS 83 Cb 0.47 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 31.55 3gfq h LYS 83 CO 0.02 0.52 0.59 -0.97 -2.81 0.00 0.00 179.45 176.80 3gfq h ASN 84 N 0.46 0.93 -0.52 4.20 -1.24 -0.19 -0.38 115.58 118.84 3gfq h ASN 84 Ca 0.13 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.04 3gfq h ASN 84 Cb 0.16 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 3gfq h ASN 84 CO -0.01 0.61 -0.03 0.00 -1.29 0.00 0.00 177.43 176.71 3gfq h ALA 85 N 1.50 0.70 0.00 1.57 0.00 -0.74 -2.83 119.26 119.45 3gfq h ALA 85 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gfq h ALA 85 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gfq h ALA 85 CO -0.13 0.55 -0.11 -0.07 0.00 0.00 0.00 179.25 179.49 3gfq h LEU 86 N 0.80 0.00 -1.80 0.00 3.38 -0.25 -2.67 115.31 114.77 3gfq h LEU 86 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gfq h LEU 86 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3gfq h LEU 86 CO 0.03 0.11 -0.10 0.44 0.09 0.00 0.00 178.44 179.01 3gfq h ASP 87 N 0.00 0.00 1.18 -0.43 3.32 -0.84 -2.10 116.42 117.55 3gfq h ASP 87 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3gfq h ASP 87 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3gfq h ASP 87 CO 0.01 0.10 -0.47 -0.26 -1.72 0.00 0.00 179.24 176.91 3gfq h PHE 88 N 0.00 0.00 -1.05 4.55 -1.00 -1.55 -3.46 116.94 114.43 3gfq h PHE 88 Ca -0.00 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.29 3gfq h PHE 88 Cb 0.41 0.00 0.05 0.00 3.61 0.00 0.00 35.95 40.01 3gfq h PHE 88 CO 0.00 0.47 -0.02 -0.51 -1.61 0.00 0.00 178.31 176.63 3gfq s LEU 89 N -6.73 3.01 0.00 1.54 1.43 -0.79 -5.07 118.68 112.07 3gfq s LEU 89 Ca 0.02 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3gfq s LEU 89 Cb 0.09 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3gfq s LEU 89 CO 0.72 -1.57 0.00 -1.54 0.23 0.00 0.00 176.35 174.19 3gfq n SER 90 N -2.46 0.00 0.30 2.29 3.41 -1.26 -5.01 113.62 110.89 3gfq n SER 90 Ca 0.17 -0.97 0.16 0.00 -0.26 0.00 0.00 58.87 57.97 3gfq n SER 90 Cb 0.62 0.00 0.96 0.00 -0.26 0.00 0.00 64.21 65.53 3gfq n SER 90 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3gfq h SER 91 N 0.00 0.00 -0.70 4.04 4.64 -1.89 -2.24 113.55 117.40 3gfq h SER 91 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3gfq h SER 91 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3gfq h SER 91 CO 0.00 0.00 0.48 -0.33 -0.87 0.00 0.00 176.83 176.11 3gfq h GLU 92 N 0.00 0.20 0.00 4.77 3.07 -1.95 0.67 114.58 121.34 3gfq h GLU 92 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3gfq h GLU 92 Cb 0.04 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gfq h GLU 92 CO -0.00 0.14 -1.19 1.04 -1.40 0.00 0.00 179.01 177.60 3gfq n GLN 93 N -4.42 1.18 -0.00 2.33 3.00 -0.85 -4.59 117.38 114.03 3gfq n GLN 93 Ca 0.14 -0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.09 3gfq n GLN 93 Cb 0.63 -1.32 -0.03 0.00 0.00 0.00 0.00 30.24 29.51 3gfq n GLN 93 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3gfq n PHE 94 N -1.68 0.00 -1.49 1.08 3.01 -0.84 -4.38 117.46 113.16 3gfq n PHE 94 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.00 3gfq n PHE 94 Cb 0.33 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 3gfq n PHE 94 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3gfq n LYS 95 N -1.26 1.23 -0.97 -1.08 4.81 0.23 -0.75 118.16 120.36 3gfq n LYS 95 Ca 0.01 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3gfq n LYS 95 Cb 0.10 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.44 3gfq n LYS 95 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gfq n TYR 96 N 10.96 0.00 -2.15 5.64 4.01 0.21 -4.94 117.16 130.90 3gfq n TYR 96 Ca 0.39 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.71 3gfq n TYR 96 Cb 0.30 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 3gfq n TYR 96 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3gfq s LYS 97 N -0.62 4.21 -0.08 -0.72 2.47 0.07 -4.35 119.74 120.72 3gfq s LYS 97 Ca 0.00 2.03 -0.29 0.00 -1.56 0.00 0.00 55.97 56.14 3gfq s LYS 97 Cb 0.00 -3.83 -0.06 0.00 -1.46 0.00 0.00 37.83 32.48 3gfq s LYS 97 CO 0.00 -0.75 1.88 -2.14 0.16 0.00 0.00 175.35 174.49 3gfq s PRO 98 N 3.51 3.90 -0.03 4.03 0.02 -1.26 0.62 135.00 145.79 3gfq s PRO 98 Ca 0.67 2.23 0.06 0.00 0.02 0.00 0.00 61.00 63.98 3gfq s PRO 98 Cb -0.30 -4.14 -0.01 0.00 0.02 0.00 0.00 34.50 30.07 3gfq s PRO 98 CO 0.25 -1.20 -0.20 0.08 -0.33 0.00 0.00 177.00 175.60 3gfq s VAL 99 N 5.20 1.63 -0.12 3.83 1.01 -0.65 -1.29 120.40 130.02 3gfq s VAL 99 Ca 0.84 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3gfq s VAL 99 Cb -0.35 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3gfq s VAL 99 CO 0.35 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.77 3gfq s ALA 100 N -0.32 2.56 0.12 5.51 0.00 -0.50 -0.73 121.76 128.40 3gfq s ALA 100 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 3gfq s ALA 100 Cb -0.09 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 3gfq s ALA 100 CO 0.00 0.29 0.35 -0.51 0.00 0.00 0.00 175.76 175.90 3gfq s LEU 101 N 0.21 4.29 -0.30 0.00 1.43 -1.26 -0.89 118.68 122.16 3gfq s LEU 101 Ca -0.09 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 3gfq s LEU 101 Cb -0.15 -3.20 0.13 0.00 0.03 0.00 0.00 46.19 42.99 3gfq s LEU 101 CO 0.05 0.09 0.70 -0.22 0.23 0.00 0.00 176.35 177.20 3gfq s LEU 102 N -2.52 -1.05 -0.04 1.79 0.20 -0.37 -1.93 118.68 114.76 3gfq s LEU 102 Ca 0.39 1.48 0.04 0.00 0.69 0.00 0.00 54.13 56.72 3gfq s LEU 102 Cb -0.12 2.25 -0.00 0.00 -0.43 0.00 0.00 46.19 47.88 3gfq s LEU 102 CO 0.24 -0.21 -0.16 0.00 -0.29 0.00 0.00 176.35 175.93 3gfq s ALA 103 N 2.62 1.43 -0.70 5.97 0.00 -0.28 -1.79 121.76 129.01 3gfq s ALA 103 Ca -0.06 -0.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 3gfq s ALA 103 Cb -0.10 -0.49 0.10 0.00 0.00 0.00 0.00 23.12 22.63 3gfq s ALA 103 CO -0.19 0.25 0.91 0.08 0.00 0.00 0.00 175.76 176.80 3gfq s VAL 104 N 0.11 4.61 1.13 0.00 1.01 -0.45 -0.02 120.40 126.79 3gfq s VAL 104 Ca -0.05 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 3gfq s VAL 104 Cb -0.11 -4.63 0.25 0.00 0.00 0.00 0.00 36.38 31.88 3gfq s VAL 104 CO 0.02 -1.35 1.13 0.00 0.00 0.00 0.00 175.10 174.90 3gfq s ALA 105 N 3.19 0.88 -0.50 5.51 0.00 0.96 -2.32 121.76 129.49 3gfq s ALA 105 Ca 0.21 -0.86 0.17 0.00 0.00 0.00 0.00 51.96 51.48 3gfq s ALA 105 Cb -0.17 -2.92 -0.22 0.00 0.00 0.00 0.00 23.12 19.82 3gfq s ALA 105 CO 0.04 -3.29 0.59 0.41 0.00 0.00 0.00 175.76 173.52 3gfq n GLY 106 N -1.33 -0.69 0.00 0.00 0.00 -1.26 -3.66 105.19 98.24 3gfq n GLY 106 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gfq n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfq n GLY 107 N 1.44 0.57 7.00 -0.02 0.00 -1.26 -4.54 105.19 108.39 3gfq n GLY 107 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3gfq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfq n GLY 108 N -0.75 3.23 0.44 -0.02 0.00 -1.26 -1.42 105.19 105.42 3gfq n GLY 108 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3gfq n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfq n LEU 109 N 0.00 1.93 -4.50 0.99 4.77 -1.26 -4.99 117.00 113.94 3gfq n LEU 109 Ca 0.00 -0.73 -0.35 0.00 -0.03 0.00 0.00 56.01 54.89 3gfq n LEU 109 Cb 0.00 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3gfq n LEU 109 CO 0.00 0.37 0.16 0.61 -1.33 0.00 0.00 177.39 177.20 3gfq n GLY 110 N 1.43 -1.33 0.00 -0.72 0.00 -0.51 -4.11 105.19 99.96 3gfq n GLY 110 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3gfq n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfq n GLY 111 N 1.46 3.34 0.17 -0.02 0.00 -1.26 -4.71 105.19 104.17 3gfq n GLY 111 Ca 0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 3gfq n GLY 111 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gfq h ILE 112 N 0.00 1.38 -0.64 -0.61 3.07 -1.98 0.19 117.51 118.93 3gfq h ILE 112 Ca 0.00 -1.96 0.07 0.00 1.55 0.00 0.00 64.86 64.51 3gfq h ILE 112 Cb 0.00 1.99 -0.06 0.00 -0.27 0.00 0.00 36.82 38.48 3gfq h ILE 112 CO 0.00 0.58 0.33 0.78 -1.05 0.00 0.00 178.15 178.79 3gfq h ASN 113 N 0.18 0.46 0.00 2.16 2.35 -1.87 0.54 115.58 119.40 3gfq h ASN 113 Ca -0.01 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 3gfq h ASN 113 Cb 1.10 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3gfq h ASN 113 CO 0.09 0.29 -0.34 0.00 -1.65 0.00 0.00 177.43 175.82 3gfq h ALA 114 N 1.36 0.99 -0.17 -0.83 0.00 -1.60 -1.60 119.26 117.42 3gfq h ALA 114 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3gfq h ALA 114 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gfq h ALA 114 CO -0.21 0.60 -0.03 -0.07 0.00 0.00 0.00 179.25 179.54 3gfq h LEU 115 N 0.40 0.32 -1.07 0.00 3.38 0.39 -0.23 115.31 118.50 3gfq h LEU 115 Ca 0.05 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3gfq h LEU 115 Cb 0.79 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3gfq h LEU 115 CO 0.06 0.60 0.31 0.78 0.09 0.00 0.00 178.44 180.29 3gfq h ASN 116 N 0.03 0.88 0.46 -0.43 2.35 0.05 0.11 115.58 119.02 3gfq h ASN 116 Ca 0.04 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3gfq h ASN 116 Cb 0.46 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3gfq h ASN 116 CO 0.01 0.76 -0.34 -1.13 -1.65 0.00 0.00 177.43 175.08 3gfq h ASN 117 N 0.97 -0.89 0.02 5.81 -0.00 -1.07 0.35 115.58 120.76 3gfq h ASN 117 Ca 0.23 0.06 -0.02 0.00 -0.00 0.00 0.00 56.30 56.58 3gfq h ASN 117 Cb 0.12 0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 3gfq h ASN 117 CO -0.03 -0.51 -0.06 0.24 -0.00 0.00 0.00 177.43 177.07 3gfq h MET 118 N -0.79 0.12 -0.06 6.67 2.86 -0.78 -0.50 114.93 122.44 3gfq h MET 118 Ca -0.05 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3gfq h MET 118 Cb 0.67 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.32 3gfq h MET 118 CO 0.01 0.19 -0.36 -0.09 1.06 0.00 0.00 176.91 177.71 3gfq h ARG 119 N 0.12 0.35 -0.72 1.72 2.43 -0.46 -1.90 114.38 115.92 3gfq h ARG 119 Ca 0.03 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3gfq h ARG 119 Cb 0.18 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3gfq h ARG 119 CO 0.01 0.95 0.20 1.15 -1.51 0.00 0.00 179.97 180.77 3gfq h THR 120 N -0.14 1.26 -0.20 0.20 2.02 0.10 -2.13 112.91 114.03 3gfq h THR 120 Ca -0.03 -0.93 -0.16 0.00 0.77 0.00 0.00 66.41 66.06 3gfq h THR 120 Cb 1.02 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3gfq h THR 120 CO 0.07 0.36 -0.53 0.58 0.37 0.00 0.00 175.52 176.38 3gfq h VAL 121 N 1.08 1.32 -0.42 3.16 2.07 -1.17 -2.52 116.25 119.76 3gfq h VAL 121 Ca 0.23 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 65.89 3gfq h VAL 121 Cb 0.34 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3gfq h VAL 121 CO -0.00 0.55 -0.13 0.24 0.02 0.00 0.00 177.57 178.25 3gfq h MET 122 N 0.44 0.78 0.00 1.57 2.07 -1.11 -2.04 114.93 116.64 3gfq h MET 122 Ca 0.01 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.36 3gfq h MET 122 Cb 1.07 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.74 3gfq h MET 122 CO 0.10 0.87 -0.07 0.00 1.07 0.00 0.00 176.91 178.88 3gfq h ARG 123 N 0.70 0.00 0.00 1.72 3.08 -1.34 -1.11 114.38 117.43 3gfq h ARG 123 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3gfq h ARG 123 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3gfq h ARG 123 CO 0.04 0.07 0.00 0.78 -1.07 0.00 0.00 179.97 179.79 3gfq h GLY 124 N 2.62 0.00 -0.41 0.04 0.00 -0.92 -1.99 103.07 102.41 3gfq h GLY 124 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gfq h GLY 124 CO 0.01 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.88 3gfq n VAL 125 N -2.73 1.42 -1.36 4.60 0.24 -0.88 -4.85 118.33 114.76 3gfq n VAL 125 Ca 0.01 -1.48 -0.11 0.00 -2.04 0.00 0.00 64.34 60.72 3gfq n VAL 125 Cb 0.24 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 3gfq n VAL 125 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3gfq n TYR 126 N -0.60 -0.02 -1.13 6.34 4.02 -0.75 -3.43 117.16 121.58 3gfq n TYR 126 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.67 3gfq n TYR 126 Cb 0.47 -2.12 0.11 0.00 -0.02 0.00 0.00 39.34 37.79 3gfq n TYR 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gfq s ALA 127 N -2.42 1.98 -1.09 -0.72 0.00 -0.48 -0.61 121.76 118.41 3gfq s ALA 127 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 3gfq s ALA 127 Cb 0.00 -3.37 0.27 0.00 0.00 0.00 0.00 23.12 20.02 3gfq s ALA 127 CO 0.00 -2.09 1.08 1.21 0.00 0.00 0.00 175.76 175.97 3gfq s ASN 128 N -2.86 7.24 -0.15 0.00 3.84 0.20 -4.62 114.94 118.59 3gfq s ASN 128 Ca 0.66 -3.58 -0.29 0.00 0.21 0.00 0.00 52.86 49.86 3gfq s ASN 128 Cb -0.21 -2.19 -0.03 0.00 -0.55 0.00 0.00 41.25 38.27 3gfq s ASN 128 CO 0.54 -0.29 1.42 -0.69 -2.79 0.00 0.00 177.10 175.29 3gfq s VAL 129 N -1.23 4.00 0.67 -5.21 1.01 -1.26 -1.63 120.40 116.75 3gfq s VAL 129 Ca 0.30 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 63.31 3gfq s VAL 129 Cb -0.10 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3gfq s VAL 129 CO -0.08 -0.16 1.23 0.27 0.00 0.00 0.00 175.10 176.36 3gfq s ILE 130 N 3.92 2.33 0.46 2.22 -4.36 0.10 -4.92 121.20 120.95 3gfq s ILE 130 Ca 0.62 0.18 0.13 0.00 -0.26 0.00 0.00 60.65 61.33 3gfq s ILE 130 Cb -0.25 -2.93 0.23 0.00 1.25 0.00 0.00 42.46 40.76 3gfq s ILE 130 CO 0.21 -0.06 2.06 -0.65 0.24 0.00 0.00 174.94 176.74 3gfq h PRO 131 N 0.27 0.11 -5.53 0.37 0.11 -1.94 -3.43 132.00 121.97 3gfq h PRO 131 Ca -0.49 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.01 3gfq h PRO 131 Cb 1.31 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 3gfq h PRO 131 CO 0.52 0.16 -0.17 0.21 -0.21 0.00 0.00 178.00 178.51 3gfq s LYS 132 N -4.95 4.23 0.07 1.05 2.20 -1.26 -5.07 119.74 116.01 3gfq s LYS 132 Ca -0.05 0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 3gfq s LYS 132 Cb 0.16 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3gfq s LYS 132 CO 0.70 0.02 -0.13 1.14 -0.36 0.00 0.00 175.35 176.72 3gfq s GLN 133 N 1.10 0.77 0.13 4.03 -2.07 -1.26 -4.40 119.66 117.97 3gfq s GLN 133 Ca 0.21 -0.95 0.08 0.00 -1.82 0.00 0.00 55.36 52.89 3gfq s GLN 133 Cb -0.15 -0.71 -0.04 0.00 -1.09 0.00 0.00 33.01 31.03 3gfq s GLN 133 CO 0.08 0.15 -0.11 -0.51 -1.32 0.00 0.00 175.29 173.58 3gfq s LEU 134 N -1.79 2.96 -0.09 2.60 1.43 -0.81 -5.00 118.68 117.97 3gfq s LEU 134 Ca -0.02 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3gfq s LEU 134 Cb -0.09 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3gfq s LEU 134 CO 0.02 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.97 3gfq s VAL 135 N -1.36 1.04 -0.21 -1.59 1.01 -1.26 -1.12 120.40 116.91 3gfq s VAL 135 Ca 0.22 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3gfq s VAL 135 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3gfq s VAL 135 CO 0.14 0.35 -0.02 -0.76 0.00 0.00 0.00 175.10 174.80 3gfq s LEU 136 N 1.17 3.05 0.32 3.92 1.02 0.97 -4.89 118.68 124.24 3gfq s LEU 136 Ca -0.05 -0.31 -0.21 0.00 0.02 0.00 0.00 54.13 53.57 3gfq s LEU 136 Cb -0.14 -1.78 -0.10 0.00 0.02 0.00 0.00 46.19 44.20 3gfq s LEU 136 CO -0.02 0.02 0.86 -1.81 0.02 0.00 0.00 176.35 175.41 3gfq s ASP 137 N 1.27 7.08 0.55 2.29 -0.00 -1.26 -0.03 116.67 126.57 3gfq s ASP 137 Ca 0.03 1.61 0.30 0.00 -0.00 0.00 0.00 52.55 54.49 3gfq s ASP 137 Cb -0.14 -2.50 1.47 0.00 -0.00 0.00 0.00 42.92 41.75 3gfq s ASP 137 CO -0.00 -0.14 1.90 1.55 -0.00 0.00 0.00 175.17 178.48 3gfq h PRO 138 N 2.78 0.00 -0.12 8.23 0.13 -1.80 -2.53 132.00 138.69 3gfq h PRO 138 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 3gfq h PRO 138 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3gfq h PRO 138 CO 0.64 0.00 -0.43 0.28 -0.23 0.00 0.00 178.00 178.26 3gfq h VAL 139 N 0.00 0.00 -0.07 1.56 2.07 -1.92 -2.12 116.25 115.78 3gfq h VAL 139 Ca 0.37 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.73 3gfq h VAL 139 Cb 1.53 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3gfq h VAL 139 CO -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.37 3gfq n HIS 140 N -4.82 0.13 -3.64 1.57 -0.00 -0.95 -4.64 115.22 102.86 3gfq n HIS 140 Ca -0.05 -1.39 -0.25 0.00 -0.00 0.00 0.00 57.72 56.03 3gfq n HIS 140 Cb 0.30 -1.25 -0.17 0.00 -0.00 0.00 0.00 29.99 28.86 3gfq n HIS 140 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3gfq s ILE 141 N 0.45 0.00 -1.09 0.61 1.01 -0.80 -3.22 121.20 118.17 3gfq s ILE 141 Ca 0.46 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 3gfq s ILE 141 Cb 0.23 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 42.15 3gfq s ILE 141 CO -0.01 -0.19 1.67 -0.62 0.00 0.00 0.00 174.94 175.79 3gfq s ASP 142 N 2.10 6.16 0.11 3.58 -1.08 0.64 -4.84 116.67 123.35 3gfq s ASP 142 Ca 0.02 -1.59 -0.27 0.00 -0.52 0.00 0.00 52.55 50.19 3gfq s ASP 142 Cb -0.15 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.65 3gfq s ASP 142 CO -0.08 -1.83 1.64 0.58 0.52 0.00 0.00 175.17 176.00 3gfq h VAL 143 N 6.50 0.45 0.29 1.11 2.07 -1.91 -0.73 116.25 124.03 3gfq h VAL 143 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 3gfq h VAL 143 Cb 0.96 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3gfq h VAL 143 CO 1.37 0.00 -0.42 -0.08 0.02 0.00 0.00 177.57 178.46 3gfq h GLU 144 N -0.45 -0.74 0.00 1.57 4.81 -1.94 -1.34 114.58 116.49 3gfq h GLU 144 Ca 0.03 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gfq h GLU 144 Cb 0.48 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3gfq h GLU 144 CO -0.14 -0.50 0.00 0.09 -0.73 0.00 0.00 179.01 177.73 3gfq n ASN 145 N -5.49 0.00 -3.91 1.04 3.02 -1.19 -4.87 115.26 103.86 3gfq n ASN 145 Ca -0.09 -1.21 -0.27 0.00 -0.03 0.00 0.00 54.58 52.98 3gfq n ASN 145 Cb 0.40 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 3gfq n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfq n ALA 146 N -0.70 -2.12 -3.05 5.41 0.00 -0.50 -4.94 120.51 114.60 3gfq n ALA 146 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gfq n ALA 146 Cb 0.03 -1.93 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 3gfq n ALA 146 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3gfq n THR 147 N -4.38 0.00 -4.26 0.00 5.66 -0.40 -4.97 114.28 105.93 3gfq n THR 147 Ca -0.27 -0.08 -0.24 0.00 -3.05 0.00 0.00 64.05 60.41 3gfq n THR 147 Cb 0.67 0.06 -0.08 0.00 -1.55 0.00 0.00 70.33 69.43 3gfq n THR 147 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3gfq s VAL 148 N -2.64 2.65 1.09 1.08 1.01 -1.26 -0.26 120.40 122.07 3gfq s VAL 148 Ca 0.01 -1.86 -0.18 0.00 0.00 0.00 0.00 61.98 59.95 3gfq s VAL 148 Cb -0.00 -2.88 0.27 0.00 0.00 0.00 0.00 36.38 33.76 3gfq s VAL 148 CO 0.01 -0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.03 3gfq n ALA 149 N -1.05 -2.74 -0.02 5.51 0.00 -1.20 -4.65 120.51 116.36 3gfq n ALA 149 Ca -0.03 -1.55 -0.21 0.00 0.00 0.00 0.00 53.44 51.65 3gfq n ALA 149 Cb 0.63 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 3gfq n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gfq h GLU 150 N 0.00 0.17 -0.06 0.00 4.39 -2.01 -3.35 114.58 113.73 3gfq h GLU 150 Ca -0.39 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.03 3gfq h GLU 150 Cb 1.16 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3gfq h GLU 150 CO 0.26 1.14 0.18 -2.95 -1.16 0.00 0.00 179.01 176.48 3gfq h ASN 151 N -0.48 0.00 0.22 1.42 -1.07 -1.97 -2.06 115.58 111.65 3gfq h ASN 151 Ca -0.30 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 55.77 3gfq h ASN 151 Cb 1.63 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.91 3gfq h ASN 151 CO -0.00 0.00 -1.33 0.40 0.07 0.00 0.00 177.43 176.56 3gfq h ILE 152 N 0.00 1.32 -1.02 6.14 2.04 -1.92 -3.36 117.51 120.71 3gfq h ILE 152 Ca 0.03 -2.64 0.25 0.00 1.00 0.00 0.00 64.86 63.49 3gfq h ILE 152 Cb 0.38 3.07 -0.11 0.00 -0.74 0.00 0.00 36.82 39.42 3gfq h ILE 152 CO -0.00 0.79 0.63 0.11 0.00 0.00 0.00 178.15 179.68 3gfq h LYS 153 N 0.01 0.50 0.38 2.37 1.57 -1.49 0.17 116.57 120.07 3gfq h LYS 153 Ca -0.24 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3gfq h LYS 153 Cb 2.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.23 3gfq h LYS 153 CO 0.24 0.33 -0.18 0.93 -0.57 0.00 0.00 179.45 180.20 3gfq h GLU 154 N 0.52 -0.49 -0.56 3.15 4.39 -1.70 -0.14 114.58 119.76 3gfq h GLU 154 Ca 0.61 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.40 3gfq h GLU 154 Cb 1.31 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 3gfq h GLU 154 CO -0.37 -0.32 0.28 0.77 -1.16 0.00 0.00 179.01 178.20 3gfq h SER 155 N -0.52 0.38 -0.48 1.42 0.02 -0.89 -0.30 113.55 113.19 3gfq h SER 155 Ca -0.05 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3gfq h SER 155 Cb 0.39 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3gfq h SER 155 CO 0.08 0.26 0.24 0.40 -1.14 0.00 0.00 176.83 176.67 3gfq h ILE 156 N 0.52 1.18 -0.06 3.27 2.04 -1.14 -0.49 117.51 122.84 3gfq h ILE 156 Ca 0.25 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3gfq h ILE 156 Cb 0.19 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3gfq h ILE 156 CO -0.19 0.20 -0.32 0.50 0.00 0.00 0.00 178.15 178.35 3gfq h LYS 157 N 0.63 -0.42 -0.73 2.37 3.64 -0.15 -0.09 116.57 121.83 3gfq h LYS 157 Ca 0.17 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3gfq h LYS 157 Cb 0.09 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3gfq h LYS 157 CO -0.02 -0.28 0.43 0.93 -2.27 0.00 0.00 179.45 178.23 3gfq h GLU 158 N -0.43 0.76 -0.13 1.90 5.08 -0.92 -0.80 114.58 120.03 3gfq h GLU 158 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gfq h GLU 158 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gfq h GLU 158 CO -0.30 0.50 0.02 1.25 -1.00 0.00 0.00 179.01 179.48 3gfq h LEU 159 N 0.78 -0.01 -0.15 1.33 7.12 -0.34 -1.68 115.31 122.37 3gfq h LEU 159 Ca 0.32 0.02 -0.23 0.00 0.13 0.00 0.00 57.88 58.12 3gfq h LEU 159 Cb 0.17 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 40.34 3gfq h LEU 159 CO -0.17 0.02 -0.95 0.58 -0.13 0.00 0.00 178.44 177.79 3gfq h VAL 160 N 0.07 1.36 0.00 1.05 2.07 -0.79 -2.38 116.25 117.64 3gfq h VAL 160 Ca 0.06 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 65.18 3gfq h VAL 160 Cb 0.06 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3gfq h VAL 160 CO -0.09 0.71 -0.22 -0.33 0.02 0.00 0.00 177.57 177.66 3gfq h GLU 161 N 0.29 0.00 -0.04 1.57 5.08 -1.09 0.36 114.58 120.75 3gfq h GLU 161 Ca -0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 3gfq h GLU 161 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 3gfq h GLU 161 CO 0.17 0.22 -0.87 1.49 -1.00 0.00 0.00 179.01 179.02 3gfq h GLU 162 N 0.00 0.49 -0.07 2.33 4.81 -1.22 -2.57 114.58 118.36 3gfq h GLU 162 Ca -0.00 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 3gfq h GLU 162 Cb 0.45 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3gfq h GLU 162 CO 0.03 1.11 -0.28 1.25 -0.73 0.00 0.00 179.01 180.39 3gfq h LEU 163 N 0.30 0.12 -0.62 1.64 5.85 -0.70 -2.62 115.31 119.28 3gfq h LEU 163 Ca -0.07 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3gfq h LEU 163 Cb 1.48 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 3gfq h LEU 163 CO 0.16 0.40 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.23 3gfq h SER 164 N 0.11 0.94 0.57 1.25 0.87 -0.21 -1.12 113.55 115.96 3gfq h SER 164 Ca 0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 3gfq h SER 164 Cb 0.56 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3gfq h SER 164 CO 0.04 1.08 -0.37 0.24 -0.53 0.00 0.00 176.83 177.29 3gfq h MET 165 N 0.83 -0.86 -0.97 2.24 2.86 -1.11 -0.95 114.93 116.98 3gfq h MET 165 Ca 0.12 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.95 3gfq h MET 165 Cb 0.69 0.20 -0.09 0.00 0.06 0.00 0.00 31.60 32.46 3gfq h MET 165 CO 0.05 -0.57 0.59 0.74 1.06 0.00 0.00 176.91 178.78 3gfq h PHE 166 N -0.89 1.07 0.14 -0.22 -1.00 -1.44 0.53 116.94 115.12 3gfq h PHE 166 Ca -0.07 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3gfq h PHE 166 Cb 0.73 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3gfq h PHE 166 CO -0.11 0.39 -0.26 0.00 -1.61 0.00 0.00 178.31 176.72 3gfq h ALA 167 N 1.54 -0.45 -1.28 2.45 0.00 -0.85 -3.28 119.26 117.39 3gfq h ALA 167 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3gfq h ALA 167 Cb 0.54 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gfq h ALA 167 CO -0.29 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 179.79 3gfq n LYS 168 N -5.38 0.00 0.00 0.00 5.02 -0.39 -5.06 118.16 112.35 3gfq n LYS 168 Ca -0.07 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3gfq n LYS 168 Cb 0.29 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3gfq n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88