#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 2.96 -0.06 -0.89 2.96 0.28 -1.58 118.68 122.34 3gfq s LEU 4 Ca 0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3gfq s LEU 4 Cb 0.00 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3gfq s LEU 4 CO 0.00 0.33 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.51 3gfq s VAL 5 N -0.60 2.89 -0.17 1.68 1.01 -0.57 -0.54 120.40 124.10 3gfq s VAL 5 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3gfq s VAL 5 Cb -0.11 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.16 3gfq s VAL 5 CO 0.02 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 3gfq s ILE 6 N -0.46 1.68 -0.14 2.22 1.01 -0.75 -1.02 121.20 123.74 3gfq s ILE 6 Ca 0.05 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 3gfq s ILE 6 Cb -0.12 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3gfq s ILE 6 CO 0.02 0.38 0.95 0.21 0.00 0.00 0.00 174.94 176.50 3gfq s ASN 7 N 1.42 7.13 0.29 3.58 2.47 -0.74 -1.95 114.94 127.15 3gfq s ASN 7 Ca 0.03 1.40 0.21 0.00 0.42 0.00 0.00 52.86 54.91 3gfq s ASN 7 Cb -0.14 -2.52 0.12 0.00 -1.45 0.00 0.00 41.25 37.26 3gfq s ASN 7 CO -0.10 -0.45 1.30 1.23 -3.72 0.00 0.00 177.10 175.36 3gfq h GLY 8 N 8.26 0.00 -4.48 1.21 0.00 -1.33 -2.97 103.07 103.75 3gfq h GLY 8 Ca -0.29 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.50 3gfq h GLY 8 CO 0.86 0.00 0.46 -1.08 0.00 0.00 0.00 176.54 176.79 3gfq s THR 9 N -3.18 4.59 -0.40 4.70 -1.32 -1.26 -4.27 115.64 114.50 3gfq s THR 9 Ca 0.03 1.86 0.25 0.00 -1.21 0.00 0.00 61.69 62.62 3gfq s THR 9 Cb 0.07 -4.19 0.34 0.00 -1.51 0.00 0.00 72.50 67.21 3gfq s THR 9 CO 0.74 0.12 1.71 -0.65 -2.21 0.00 0.00 174.62 174.33 3gfq h PRO 10 N 6.87 0.00 -6.28 7.08 0.11 -1.89 -3.09 132.00 134.80 3gfq h PRO 10 Ca -0.40 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.14 3gfq h PRO 10 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3gfq h PRO 10 CO 0.79 0.00 0.93 1.03 -0.21 0.00 0.00 178.00 180.53 3gfq s ARG 11 N -3.27 4.04 0.43 1.05 0.52 -1.26 -4.25 118.95 116.20 3gfq s ARG 11 Ca 0.07 1.35 0.10 0.00 -0.52 0.00 0.00 55.73 56.72 3gfq s ARG 11 Cb 0.07 -3.82 0.92 0.00 0.52 0.00 0.00 34.95 32.64 3gfq s ARG 11 CO 0.62 -0.96 2.02 0.87 0.02 0.00 0.00 175.30 177.88 3gfq h LYS 12 N 8.75 0.30 -0.88 3.54 1.57 -1.87 0.72 116.57 128.70 3gfq h LYS 12 Ca -0.25 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 3gfq h LYS 12 Cb 1.09 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.30 3gfq h LYS 12 CO 1.01 0.29 0.11 -2.39 -0.57 0.00 0.00 179.45 177.90 3gfq n HIS 13 N -4.41 1.08 -3.20 -1.35 1.44 -1.26 -4.95 115.22 102.57 3gfq n HIS 13 Ca 0.00 -0.60 -0.33 0.00 -2.01 0.00 0.00 57.72 54.78 3gfq n HIS 13 Cb 0.15 -0.38 -0.06 0.00 0.12 0.00 0.00 29.99 29.82 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 -0.22 2.35 -0.01 -1.39 0.00 0.25 -5.01 107.32 103.30 3gfq s GLY 14 Ca 0.24 -0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.69 3gfq s GLY 14 CO 0.06 0.19 1.32 3.21 0.00 0.00 0.00 173.10 177.88 3gfq h ARG 15 N 2.48 0.03 -1.02 2.90 3.08 -1.92 -2.88 114.38 117.05 3gfq h ARG 15 Ca -0.48 -0.02 0.28 0.00 0.07 0.00 0.00 59.98 59.84 3gfq h ARG 15 Cb 1.18 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 3gfq h ARG 15 CO 0.66 0.46 0.71 1.15 -1.07 0.00 0.00 179.97 181.89 3gfq h THR 16 N -0.40 0.51 -0.06 2.04 2.02 -1.94 0.12 112.91 115.20 3gfq h THR 16 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3gfq h THR 16 Cb 0.45 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3gfq h THR 16 CO 0.00 0.02 0.03 -0.09 0.37 0.00 0.00 175.52 175.85 3gfq h ARG 17 N 0.12 0.09 -0.35 6.66 2.43 -1.81 -0.76 114.38 120.75 3gfq h ARG 17 Ca 0.51 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.67 3gfq h ARG 17 Cb 1.80 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.31 3gfq h ARG 17 CO -0.08 0.17 0.22 0.82 -1.51 0.00 0.00 179.97 179.59 3gfq h ILE 18 N -0.02 1.08 -0.66 1.20 2.04 -0.77 0.20 117.51 120.57 3gfq h ILE 18 Ca 0.02 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.82 3gfq h ILE 18 Cb 0.11 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3gfq h ILE 18 CO -0.00 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.52 3gfq h ALA 19 N 1.14 0.89 -0.09 1.87 0.00 -1.23 0.17 119.26 122.00 3gfq h ALA 19 Ca 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3gfq h ALA 19 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gfq h ALA 19 CO -0.04 -0.14 -0.52 0.00 0.00 0.00 0.00 179.25 178.55 3gfq h ALA 20 N 1.43 0.95 -0.30 0.00 0.00 -0.53 -3.15 119.26 117.66 3gfq h ALA 20 Ca 0.33 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3gfq h ALA 20 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gfq h ALA 20 CO -0.30 0.67 -0.42 0.77 0.00 0.00 0.00 179.25 179.97 3gfq h SER 21 N 0.19 0.88 -0.64 0.00 0.02 0.58 -3.19 113.55 111.40 3gfq h SER 21 Ca 0.00 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3gfq h SER 21 Cb 0.99 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3gfq h SER 21 CO 0.08 1.22 0.00 0.00 -1.14 0.00 0.00 176.83 176.99 3gfq n TYR 22 N -4.12 -1.43 0.00 3.45 9.36 0.47 -2.21 117.16 122.67 3gfq n TYR 22 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3gfq n TYR 22 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3gfq n TYR 22 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3gfq n ILE 23 N -2.39 0.00 -0.32 2.97 5.41 -1.26 -2.97 119.36 120.80 3gfq n ILE 23 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 3gfq n ILE 23 Cb 0.00 0.00 0.34 0.00 -0.71 0.00 0.00 39.64 39.27 3gfq n ILE 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gfq h ALA 24 N -0.84 1.39 0.21 -1.39 0.00 -1.68 1.18 119.26 118.13 3gfq h ALA 24 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3gfq h ALA 24 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gfq h ALA 24 CO 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 179.25 178.55 3gfq h ALA 25 N 1.91 -0.28 -0.89 0.00 0.00 -1.34 0.36 119.26 119.02 3gfq h ALA 25 Ca 0.63 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.38 3gfq h ALA 25 Cb 1.37 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3gfq h ALA 25 CO -0.79 -0.33 0.58 1.25 0.00 0.00 0.00 179.25 179.96 3gfq h LEU 26 N -0.93 0.94 -3.17 0.00 5.85 -1.32 -1.92 115.31 114.77 3gfq h LEU 26 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3gfq h LEU 26 Cb 0.49 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3gfq h LEU 26 CO 0.05 0.64 0.00 -1.22 -0.34 0.00 0.00 178.44 177.56 3gfq n TYR 27 N -4.46 1.17 -4.02 1.25 4.02 0.39 -4.99 117.16 110.53 3gfq n TYR 27 Ca 0.12 -0.68 -0.44 0.00 -0.01 0.00 0.00 57.90 56.89 3gfq n TYR 27 Cb 0.13 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.23 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 0.47 -1.47 -3.90 -0.72 8.25 -0.36 -4.95 115.22 112.53 3gfq n HIS 28 Ca 0.22 0.14 -0.23 0.00 -0.26 0.00 0.00 57.72 57.59 3gfq n HIS 28 Cb 0.83 -2.90 -0.06 0.00 1.12 0.00 0.00 29.99 28.98 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 -3.54 2.58 0.84 1.59 -4.23 0.11 -4.96 115.64 108.04 3gfq s THR 29 Ca 0.48 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 3gfq s THR 29 Cb -0.25 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.69 3gfq s THR 29 CO 0.96 -0.03 1.09 -0.62 -0.54 0.00 0.00 174.62 175.47 3gfq s ASP 30 N -3.98 3.90 -0.11 3.99 2.15 -0.61 -4.75 116.67 117.25 3gfq s ASP 30 Ca 0.43 1.66 -0.09 0.00 0.43 0.00 0.00 52.55 54.98 3gfq s ASP 30 Cb 0.00 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 3gfq s ASP 30 CO 0.25 -2.39 0.29 -0.22 -0.17 0.00 0.00 175.17 172.92 3gfq s LEU 31 N -6.11 0.74 -0.29 -1.34 2.96 -1.26 -1.52 118.68 111.87 3gfq s LEU 31 Ca 0.63 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 55.15 3gfq s LEU 31 Cb -0.18 0.98 0.08 0.00 0.50 0.00 0.00 46.19 47.57 3gfq s LEU 31 CO 0.57 -0.12 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.84 3gfq s ILE 32 N 0.43 1.85 -0.39 6.68 1.01 -0.19 -4.96 121.20 125.64 3gfq s ILE 32 Ca -0.02 -1.75 -0.20 0.00 0.00 0.00 0.00 60.65 58.67 3gfq s ILE 32 Cb -0.04 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3gfq s ILE 32 CO -0.02 -0.35 0.63 -0.62 0.00 0.00 0.00 174.94 174.58 3gfq s ASP 33 N 1.18 6.38 0.32 3.58 -1.08 -1.26 -1.79 116.67 123.99 3gfq s ASP 33 Ca 0.02 -0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.25 3gfq s ASP 33 Cb -0.19 -2.32 1.01 0.00 -1.46 0.00 0.00 42.92 39.97 3gfq s ASP 33 CO -0.09 -0.66 1.77 0.25 0.52 0.00 0.00 175.17 176.96 3gfq h LEU 34 N 9.49 0.00 -0.24 -1.34 5.85 -1.73 0.88 115.31 128.23 3gfq h LEU 34 Ca -0.26 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.26 3gfq h LEU 34 Cb 1.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3gfq h LEU 34 CO 0.85 0.00 -0.90 0.77 -0.34 0.00 0.00 178.44 178.82 3gfq h SER 35 N 0.00 0.17 0.10 1.25 4.64 -1.71 -3.32 113.55 114.68 3gfq h SER 35 Ca 0.00 -0.15 -0.37 0.00 -0.47 0.00 0.00 61.79 60.81 3gfq h SER 35 Cb 0.47 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 3gfq h SER 35 CO 0.00 0.98 -2.22 -0.62 -0.87 0.00 0.00 176.83 174.10 3gfq n GLU 36 N -3.59 0.69 -2.25 4.77 1.02 -0.82 -4.64 120.64 115.82 3gfq n GLU 36 Ca -0.03 0.17 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 3gfq n GLU 36 Cb 0.83 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 -3.18 3.95 -2.80 -0.32 7.35 0.30 -4.96 117.46 117.80 3gfq n PHE 37 Ca -0.35 -2.95 -0.42 0.00 -0.76 0.00 0.00 57.45 52.96 3gfq n PHE 37 Cb 1.05 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 38.42 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 2.78 4.78 0.29 -2.13 1.01 -1.26 -4.63 120.40 121.25 3gfq s VAL 38 Ca 0.47 1.75 0.06 0.00 0.00 0.00 0.00 61.98 64.26 3gfq s VAL 38 Cb 0.08 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3gfq s VAL 38 CO -0.01 -0.11 0.37 -0.76 0.00 0.00 0.00 175.10 174.59 3gfq s LEU 39 N 2.96 4.00 0.43 3.92 1.43 -1.26 -5.06 118.68 125.09 3gfq s LEU 39 Ca 0.38 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 3gfq s LEU 39 Cb -0.15 -2.65 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 3gfq s LEU 39 CO 0.07 -0.25 0.97 -2.84 0.23 0.00 0.00 176.35 174.53 3gfq s PRO 40 N -4.04 4.18 0.12 1.29 0.02 -1.26 -4.99 135.00 130.31 3gfq s PRO 40 Ca 0.39 1.22 -0.31 0.00 0.02 0.00 0.00 61.00 62.32 3gfq s PRO 40 Cb -0.09 -2.26 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 3gfq s PRO 40 CO 0.29 -0.09 1.85 0.28 -0.33 0.00 0.00 177.00 179.00 3gfq n VAL 41 N -0.53 0.39 -1.53 3.83 0.31 -1.26 -4.89 118.33 114.65 3gfq n VAL 41 Ca 0.07 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 3gfq n VAL 41 Cb 0.53 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3gfq n VAL 41 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3gfq n PHE 42 N 5.76 0.47 -0.89 3.52 7.35 -1.26 -4.90 117.46 127.50 3gfq n PHE 42 Ca 0.18 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.54 3gfq n PHE 42 Cb 0.37 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.08 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 1.17 0.07 -0.66 -2.13 0.23 -1.26 -5.03 115.26 107.64 3gfq n ASN 43 Ca 0.11 -0.97 -0.08 0.00 -0.53 0.00 0.00 54.58 53.11 3gfq n ASN 43 Cb 0.35 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.00 0.88 3.76 4.83 0.00 -1.26 -5.02 105.19 108.38 3gfq n GLY 44 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.91 3.06 0.57 1.61 2.02 -1.26 -5.01 118.70 116.78 3gfq s GLU 45 Ca 0.00 -0.43 0.28 0.00 0.02 0.00 0.00 54.97 54.84 3gfq s GLU 45 Cb 0.00 -2.86 1.72 0.00 0.10 0.00 0.00 34.13 33.09 3gfq s GLU 45 CO 0.00 0.68 2.22 0.00 0.02 0.00 0.00 175.26 178.18 3gfq h ALA 46 N 4.54 1.53 -0.58 5.21 0.00 -2.01 -2.28 119.26 125.66 3gfq h ALA 46 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3gfq h ALA 46 Cb 1.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3gfq h ALA 46 CO 0.59 0.02 0.32 0.93 0.00 0.00 0.00 179.25 181.11 3gfq h GLU 47 N 0.00 0.80 -0.13 0.00 3.07 -2.01 -1.32 114.58 115.00 3gfq h GLU 47 Ca -0.00 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3gfq h GLU 47 Cb 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3gfq h GLU 47 CO 0.00 0.59 -0.07 1.96 -1.40 0.00 0.00 179.01 180.09 3gfq h GLN 48 N 0.81 0.18 0.00 2.33 4.20 -1.83 -1.00 115.11 119.80 3gfq h GLN 48 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3gfq h GLN 48 Cb 0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3gfq h GLN 48 CO -0.03 0.27 0.00 0.77 -0.67 0.00 0.00 178.83 179.17 3gfq h SER 49 N 0.18 0.00 0.72 1.46 0.02 -1.36 -2.21 113.55 112.37 3gfq h SER 49 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3gfq h SER 49 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3gfq h SER 49 CO 0.01 0.00 -0.62 1.21 -1.14 0.00 0.00 176.83 176.29 3gfq n GLU 50 N -3.00 0.21 -1.82 3.45 4.07 -0.39 -4.65 120.64 118.50 3gfq n GLU 50 Ca -0.01 0.05 -0.36 0.00 -0.06 0.00 0.00 57.16 56.79 3gfq n GLU 50 Cb 0.21 -1.62 0.05 0.00 -0.06 0.00 0.00 31.44 30.03 3gfq n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3gfq s LEU 51 N -3.84 3.56 0.03 4.31 1.43 -0.83 -4.93 118.68 118.41 3gfq s LEU 51 Ca 0.07 2.41 -0.16 0.00 -1.03 0.00 0.00 54.13 55.43 3gfq s LEU 51 Cb 0.15 -4.60 -0.33 0.00 0.03 0.00 0.00 46.19 41.44 3gfq s LEU 51 CO 0.72 -1.82 1.03 -0.07 0.23 0.00 0.00 176.35 176.43 3gfq h LEU 52 N 0.52 0.85 -1.09 1.79 3.38 -1.90 -2.26 115.31 116.59 3gfq h LEU 52 Ca -0.50 -0.89 0.17 0.00 0.09 0.00 0.00 57.88 56.76 3gfq h LEU 52 Cb 1.30 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 3gfq h LEU 52 CO 0.53 1.66 0.61 0.11 0.09 0.00 0.00 178.44 181.45 3gfq h LYS 53 N 0.16 0.74 -0.01 1.13 1.79 -1.95 0.12 116.57 118.56 3gfq h LYS 53 Ca -0.23 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.01 3gfq h LYS 53 Cb 2.05 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 32.52 3gfq h LYS 53 CO 0.26 0.49 -0.84 0.28 -1.08 0.00 0.00 179.45 178.56 3gfq h VAL 54 N 0.77 1.48 0.09 0.50 2.07 -1.83 -2.01 116.25 117.32 3gfq h VAL 54 Ca 0.54 -2.54 -0.26 0.00 0.82 0.00 0.00 66.70 65.27 3gfq h VAL 54 Cb 0.84 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3gfq h VAL 54 CO -0.32 0.74 -1.15 1.56 0.02 0.00 0.00 177.57 178.42 3gfq h GLN 55 N 0.12 0.30 0.20 1.57 4.20 -0.71 -2.87 115.11 117.91 3gfq h GLN 55 Ca -0.04 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 3gfq h GLN 55 Cb 1.45 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.39 3gfq h GLN 55 CO 0.13 1.18 -0.09 0.93 -0.67 0.00 0.00 178.83 180.30 3gfq h GLU 56 N 0.11 -0.25 -0.67 1.46 4.39 -0.81 -1.05 114.58 117.75 3gfq h GLU 56 Ca -0.12 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.74 3gfq h GLU 56 Cb 1.86 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 30.44 3gfq h GLU 56 CO 0.19 -0.04 -0.13 1.25 -1.16 0.00 0.00 179.01 179.12 3gfq h LEU 57 N -0.43 -0.56 0.35 1.33 5.85 -1.42 0.31 115.31 120.74 3gfq h LEU 57 Ca -0.03 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3gfq h LEU 57 Cb 0.33 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3gfq h LEU 57 CO 0.04 -0.21 -0.17 0.11 -0.34 0.00 0.00 178.44 177.88 3gfq h LYS 58 N 0.02 -0.45 -0.63 1.25 1.57 -1.43 -1.91 116.57 114.98 3gfq h LYS 58 Ca 0.33 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3gfq h LYS 58 Cb 0.52 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3gfq h LYS 58 CO -0.67 -0.19 0.31 0.37 -0.57 0.00 0.00 179.45 178.70 3gfq h GLN 59 N -0.66 0.89 0.04 3.15 -0.00 -0.40 0.11 115.11 118.23 3gfq h GLN 59 Ca -0.05 -0.11 -0.22 0.00 -0.00 0.00 0.00 58.65 58.27 3gfq h GLN 59 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 3gfq h GLN 59 CO 0.08 0.68 -1.01 0.00 0.00 0.00 0.00 178.83 178.58 3gfq h ARG 60 N 0.89 0.15 -0.12 1.69 3.08 -0.43 -1.90 114.38 117.74 3gfq h ARG 60 Ca 0.22 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3gfq h ARG 60 Cb 0.08 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3gfq h ARG 60 CO -0.03 1.03 -0.13 0.28 -1.07 0.00 0.00 179.97 180.05 3gfq h VAL 61 N 0.06 1.36 -0.62 2.04 2.07 -1.00 -2.90 116.25 117.26 3gfq h VAL 61 Ca -0.06 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.18 3gfq h VAL 61 Cb 1.70 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 3gfq h VAL 61 CO 0.15 0.38 0.39 0.74 0.02 0.00 0.00 177.57 179.25 3gfq h THR 62 N -0.09 1.09 0.00 2.57 2.02 -0.82 -2.27 112.91 115.41 3gfq h THR 62 Ca 0.02 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3gfq h THR 62 Cb 0.67 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3gfq h THR 62 CO 0.03 0.14 0.00 2.29 0.37 0.00 0.00 175.52 178.35 3gfq n LYS 63 N -4.71 0.12 -2.26 6.66 2.85 -0.71 -4.77 118.16 115.33 3gfq n LYS 63 Ca 0.06 0.20 -0.41 0.00 -1.05 0.00 0.00 58.31 57.11 3gfq n LYS 63 Cb 0.07 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 32.75 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 -3.10 3.48 -0.30 0.58 0.00 -0.86 -4.93 121.76 116.64 3gfq s ALA 64 Ca 0.09 1.10 0.23 0.00 0.00 0.00 0.00 51.96 53.38 3gfq s ALA 64 Cb 0.13 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3gfq s ALA 64 CO 0.47 -0.47 1.03 -0.40 0.00 0.00 0.00 175.76 176.39 3gfq n ASP 65 N 1.63 0.75 -3.64 0.00 5.75 -1.26 -4.93 116.55 114.85 3gfq n ASP 65 Ca 0.02 0.24 -0.09 0.00 -0.01 0.00 0.00 54.79 54.95 3gfq n ASP 65 Cb 0.43 0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 41.00 3gfq n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gfq s ALA 66 N -3.34 -1.99 -0.05 2.12 0.00 -1.26 -4.31 121.76 112.92 3gfq s ALA 66 Ca 0.00 1.98 0.04 0.00 0.00 0.00 0.00 51.96 53.98 3gfq s ALA 66 Cb 0.11 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3gfq s ALA 66 CO 0.79 -0.27 -0.19 0.42 0.00 0.00 0.00 175.76 176.51 3gfq s ILE 67 N 0.50 1.59 -0.19 0.00 1.01 0.00 -0.56 121.20 123.55 3gfq s ILE 67 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 3gfq s ILE 67 Cb -0.05 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3gfq s ILE 67 CO -0.08 0.45 0.32 -0.69 0.00 0.00 0.00 174.94 174.95 3gfq s VAL 68 N 0.08 5.27 -0.37 2.92 1.01 0.30 -0.84 120.40 128.76 3gfq s VAL 68 Ca -0.06 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 3gfq s VAL 68 Cb -0.13 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.67 3gfq s VAL 68 CO 0.03 0.32 0.14 -0.22 0.00 0.00 0.00 175.10 175.37 3gfq s LEU 69 N 0.92 4.66 -0.04 3.92 2.96 0.41 -1.81 118.68 129.71 3gfq s LEU 69 Ca 0.16 -1.53 -0.03 0.00 -0.22 0.00 0.00 54.13 52.51 3gfq s LEU 69 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3gfq s LEU 69 CO 0.06 -0.42 0.14 -0.76 -1.32 0.00 0.00 176.35 174.05 3gfq s LEU 70 N 1.28 4.21 -0.26 -0.68 1.02 -0.82 -0.56 118.68 122.86 3gfq s LEU 70 Ca 0.01 0.31 -0.22 0.00 0.02 0.00 0.00 54.13 54.26 3gfq s LEU 70 Cb -0.21 -2.35 0.07 0.00 0.02 0.00 0.00 46.19 43.72 3gfq s LEU 70 CO -0.01 0.31 0.67 -0.55 0.02 0.00 0.00 176.35 176.79 3gfq s SER 71 N -1.61 -0.74 0.78 2.29 0.15 -0.38 -0.89 113.70 113.30 3gfq s SER 71 Ca 0.22 1.38 -0.11 0.00 0.70 0.00 0.00 55.95 58.15 3gfq s SER 71 Cb -0.12 1.37 0.06 0.00 -1.71 0.00 0.00 66.02 65.62 3gfq s SER 71 CO 0.13 -0.24 1.10 -2.16 1.20 0.00 0.00 173.24 173.28 3gfq s PRO 72 N 0.60 2.14 -0.32 5.44 0.04 -1.26 -0.97 135.00 140.66 3gfq s PRO 72 Ca -0.02 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 3gfq s PRO 72 Cb -0.05 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3gfq s PRO 72 CO -0.03 -1.74 0.76 -2.00 0.04 0.00 0.00 177.00 174.04 3gfq s GLU 73 N -4.77 3.90 -0.32 4.56 2.12 -0.07 -3.72 118.70 120.39 3gfq s GLU 73 Ca 0.63 0.47 -0.00 0.00 0.36 0.00 0.00 54.97 56.43 3gfq s GLU 73 Cb -0.18 -3.75 0.07 0.00 0.26 0.00 0.00 34.13 30.53 3gfq s GLU 73 CO 0.55 -0.71 0.03 0.71 -0.54 0.00 0.00 175.26 175.29 3gfq s TYR 74 N 2.95 3.41 -1.32 5.30 4.12 0.71 -4.71 117.35 127.81 3gfq s TYR 74 Ca 0.31 -2.24 -0.02 0.00 0.02 0.00 0.00 57.07 55.14 3gfq s TYR 74 Cb -0.14 -2.43 0.01 0.00 -1.52 0.00 0.00 41.96 37.88 3gfq s TYR 74 CO 0.14 -0.87 0.78 0.72 0.02 0.00 0.00 175.55 176.33 3gfq n HIS 75 N 4.52 -2.01 -3.51 2.71 8.25 -1.26 -2.63 115.22 121.28 3gfq n HIS 75 Ca -0.08 0.86 -0.20 0.00 -0.26 0.00 0.00 57.72 58.04 3gfq n HIS 75 Cb 0.42 -4.46 0.08 0.00 1.12 0.00 0.00 29.99 27.16 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 -3.04 -3.70 -3.68 0.41 7.64 -1.26 -4.98 113.62 105.00 3gfq n SER 76 Ca -0.26 -0.60 -0.02 0.00 1.01 0.00 0.00 58.87 59.01 3gfq n SER 76 Cb 0.66 -5.03 -0.01 0.00 -1.01 0.00 0.00 64.21 58.82 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 -3.95 -0.32 0.99 0.23 0.00 -1.08 -4.32 107.32 98.87 3gfq s GLY 77 Ca 0.24 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 3gfq s GLY 77 CO 0.74 0.09 1.08 -3.16 0.00 0.00 0.00 173.10 171.85 3gfq s MET 78 N -2.90 0.48 0.52 2.90 0.00 -1.26 -0.21 119.30 118.83 3gfq s MET 78 Ca 0.12 0.88 -0.22 0.00 0.00 0.00 0.00 55.69 56.47 3gfq s MET 78 Cb 0.01 -1.71 -0.06 0.00 0.00 0.00 0.00 34.83 33.07 3gfq s MET 78 CO -0.01 -2.79 1.32 -1.54 0.00 0.00 0.00 175.02 172.00 3gfq s SER 79 N -3.07 5.52 0.30 -1.18 1.04 -1.24 -4.52 113.70 110.55 3gfq s SER 79 Ca 0.66 2.68 -0.01 0.00 0.48 0.00 0.00 55.95 59.75 3gfq s SER 79 Cb -0.21 -2.63 0.46 0.00 0.10 0.00 0.00 66.02 63.74 3gfq s SER 79 CO 0.59 -1.39 1.91 1.23 0.98 0.00 0.00 173.24 176.56 3gfq h GLY 80 N 1.67 0.98 0.95 7.32 0.00 -1.92 -2.01 103.07 110.06 3gfq h GLY 80 Ca -0.51 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.39 3gfq h GLY 80 CO 0.58 0.44 0.65 0.00 0.00 0.00 0.00 176.54 178.21 3gfq h ALA 81 N 1.43 1.28 0.11 3.60 0.00 -1.90 0.36 119.26 124.14 3gfq h ALA 81 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3gfq h ALA 81 Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gfq h ALA 81 CO -0.03 0.60 -0.05 1.25 0.00 0.00 0.00 179.25 181.02 3gfq h LEU 82 N 1.30 -0.13 -0.42 0.00 5.85 -1.62 -2.03 115.31 118.26 3gfq h LEU 82 Ca 0.38 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3gfq h LEU 82 Cb -0.09 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3gfq h LEU 82 CO -0.10 0.29 0.20 0.50 -0.34 0.00 0.00 178.44 178.99 3gfq h LYS 83 N -0.57 0.40 -0.23 1.25 1.63 -1.24 0.18 116.57 118.00 3gfq h LYS 83 Ca -0.02 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3gfq h LYS 83 Cb 0.45 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 3gfq h LYS 83 CO 0.03 0.27 -0.18 -0.97 -3.45 0.00 0.00 179.45 175.14 3gfq h ASN 84 N 0.41 -0.59 -0.78 4.20 -1.24 -0.95 0.18 115.58 116.81 3gfq h ASN 84 Ca 0.18 0.12 0.10 0.00 0.71 0.00 0.00 56.30 57.40 3gfq h ASN 84 Cb 0.09 0.29 -0.07 0.00 0.73 0.00 0.00 38.32 39.36 3gfq h ASN 84 CO -0.13 -0.22 0.42 0.00 -1.29 0.00 0.00 177.43 176.21 3gfq h ALA 85 N 0.94 1.10 -0.69 1.57 0.00 -0.83 -1.58 119.26 119.76 3gfq h ALA 85 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gfq h ALA 85 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gfq h ALA 85 CO -0.34 0.03 0.33 -0.07 0.00 0.00 0.00 179.25 179.20 3gfq h LEU 86 N 0.71 0.89 -1.44 0.00 3.38 0.64 -2.67 115.31 116.82 3gfq h LEU 86 Ca 0.38 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.34 3gfq h LEU 86 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3gfq h LEU 86 CO -0.26 0.76 0.47 0.44 0.09 0.00 0.00 178.44 179.94 3gfq h ASP 87 N 0.98 0.57 0.07 -0.43 3.32 0.32 0.10 116.42 121.36 3gfq h ASP 87 Ca 0.24 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3gfq h ASP 87 Cb 0.11 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3gfq h ASP 87 CO -0.03 0.35 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.56 3gfq h PHE 88 N 0.64 0.00 -4.23 4.55 -1.00 -1.41 -3.44 116.94 112.06 3gfq h PHE 88 Ca 0.32 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.03 3gfq h PHE 88 Cb 0.40 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.97 3gfq h PHE 88 CO -0.00 0.03 -0.01 1.28 -1.61 0.00 0.00 178.31 178.00 3gfq n LEU 89 N -3.85 0.00 0.00 1.54 4.77 0.36 -5.06 117.00 114.75 3gfq n LEU 89 Ca -0.03 -0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 55.58 3gfq n LEU 89 Cb 0.11 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3gfq n LEU 89 CO 0.28 -0.54 0.69 -1.54 -1.33 0.00 0.00 177.39 174.96 3gfq n SER 90 N -2.92 -1.43 0.00 -1.43 3.41 -1.26 -4.99 113.62 105.01 3gfq n SER 90 Ca 0.02 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3gfq n SER 90 Cb 0.09 2.32 0.01 0.00 -0.26 0.00 0.00 64.21 66.36 3gfq n SER 90 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gfq n SER 91 N -1.17 0.00 0.26 4.04 3.41 -1.26 -1.20 113.62 117.70 3gfq n SER 91 Ca -0.02 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.16 3gfq n SER 91 Cb 0.49 -0.42 0.58 0.00 -0.26 0.00 0.00 64.21 64.60 3gfq n SER 91 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gfq h GLU 92 N 0.00 0.00 0.00 4.33 4.81 -1.94 -1.74 114.58 120.04 3gfq h GLU 92 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3gfq h GLU 92 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gfq h GLU 92 CO 0.00 0.09 -1.37 1.04 -0.73 0.00 0.00 179.01 178.04 3gfq n GLN 93 N -3.22 0.43 -0.01 1.92 3.00 -0.34 -4.75 117.38 114.42 3gfq n GLN 93 Ca 0.00 -0.07 0.08 0.00 -0.01 0.00 0.00 57.00 57.01 3gfq n GLN 93 Cb 0.36 -1.19 -0.12 0.00 0.00 0.00 0.00 30.24 29.29 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 -1.81 0.00 -1.53 1.08 3.01 -1.16 -4.45 117.46 112.60 3gfq n PHE 94 Ca -0.02 0.00 -0.59 0.00 1.01 0.00 0.00 57.45 57.85 3gfq n PHE 94 Cb 0.24 -0.37 -0.09 0.00 -0.01 0.00 0.00 39.48 39.25 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 -2.06 0.59 -1.09 -1.08 4.81 -0.66 0.10 118.16 118.77 3gfq n LYS 95 Ca -0.03 0.19 -0.03 0.00 -0.87 0.00 0.00 58.31 57.57 3gfq n LYS 95 Cb 0.42 -1.89 -0.01 0.00 0.02 0.00 0.00 35.03 33.56 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 6.67 0.00 -2.40 5.64 4.01 0.45 -4.91 117.16 126.62 3gfq n TYR 96 Ca 0.39 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.70 3gfq n TYR 96 Cb 0.07 -1.61 -0.03 0.00 -0.31 0.00 0.00 39.34 37.46 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 -1.76 4.36 0.09 -0.72 2.47 0.11 -4.43 119.74 119.87 3gfq s LYS 97 Ca 0.00 1.76 -0.31 0.00 -1.56 0.00 0.00 55.97 55.86 3gfq s LYS 97 Cb 0.00 -3.49 -0.09 0.00 -1.46 0.00 0.00 37.83 32.79 3gfq s LYS 97 CO 0.00 -0.41 1.70 -2.14 0.16 0.00 0.00 175.35 174.66 3gfq s PRO 98 N 1.89 4.18 -0.04 4.03 0.02 -1.26 0.34 135.00 144.16 3gfq s PRO 98 Ca 0.58 2.41 0.01 0.00 0.02 0.00 0.00 61.00 64.02 3gfq s PRO 98 Cb -0.27 -3.58 0.02 0.00 0.02 0.00 0.00 34.50 30.69 3gfq s PRO 98 CO 0.25 -0.76 -0.05 0.08 -0.33 0.00 0.00 177.00 176.19 3gfq s VAL 99 N 2.61 0.52 -0.14 3.83 1.01 -0.37 -0.82 120.40 127.05 3gfq s VAL 99 Ca 0.76 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3gfq s VAL 99 Cb -0.42 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3gfq s VAL 99 CO 0.33 0.21 -0.00 0.00 0.00 0.00 0.00 175.10 175.64 3gfq s ALA 100 N 0.80 3.19 -0.06 5.51 0.00 -0.02 -1.68 121.76 129.49 3gfq s ALA 100 Ca -0.11 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3gfq s ALA 100 Cb -0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 3gfq s ALA 100 CO 0.00 0.34 0.30 -0.51 0.00 0.00 0.00 175.76 175.90 3gfq s LEU 101 N -0.09 4.41 -0.13 0.00 1.43 -1.26 -0.44 118.68 122.60 3gfq s LEU 101 Ca 0.04 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 3gfq s LEU 101 Cb -0.13 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.77 3gfq s LEU 101 CO 0.02 0.32 0.24 -0.22 0.23 0.00 0.00 176.35 176.94 3gfq s LEU 102 N -0.82 -0.25 -0.04 1.79 0.20 0.27 -1.76 118.68 118.07 3gfq s LEU 102 Ca 0.20 0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.53 3gfq s LEU 102 Cb -0.15 0.60 -0.02 0.00 -0.43 0.00 0.00 46.19 46.19 3gfq s LEU 102 CO 0.09 -0.25 -0.18 0.00 -0.29 0.00 0.00 176.35 175.72 3gfq s ALA 103 N 2.39 2.51 -0.39 5.97 0.00 -0.61 -1.25 121.76 130.37 3gfq s ALA 103 Ca 0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 3gfq s ALA 103 Cb -0.12 -0.84 0.05 0.00 0.00 0.00 0.00 23.12 22.21 3gfq s ALA 103 CO -0.08 0.55 0.22 0.08 0.00 0.00 0.00 175.76 176.52 3gfq s VAL 104 N -0.69 4.32 0.79 0.00 1.01 -0.15 -0.48 120.40 125.21 3gfq s VAL 104 Ca 0.11 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 3gfq s VAL 104 Cb -0.10 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.86 3gfq s VAL 104 CO 0.00 -0.36 1.11 0.00 0.00 0.00 0.00 175.10 175.86 3gfq s ALA 105 N 1.48 2.92 -2.05 5.51 0.00 0.81 -0.89 121.76 129.54 3gfq s ALA 105 Ca 0.02 -1.05 0.23 0.00 0.00 0.00 0.00 51.96 51.16 3gfq s ALA 105 Cb -0.21 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.32 3gfq s ALA 105 CO 0.04 -1.66 1.12 0.41 0.00 0.00 0.00 175.76 175.67 3gfq n GLY 106 N -3.18 0.03 0.00 0.00 0.00 -1.26 -4.06 105.19 96.71 3gfq n GLY 106 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.41 4.06 7.00 -0.02 0.00 -1.26 -4.68 105.19 111.70 3gfq n GLY 107 Ca 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.52 0.97 0.25 -0.02 0.00 -1.26 -3.52 105.19 100.09 3gfq n GLY 108 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 0.84 -4.75 0.99 4.77 -1.26 -4.92 117.00 112.67 3gfq n LEU 109 Ca 0.00 -0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 3gfq n LEU 109 Cb 0.00 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3gfq n LEU 109 CO 0.00 0.14 0.73 -0.83 -1.33 0.00 0.00 177.39 176.10 3gfq s GLY 110 N -2.20 1.96 0.00 -0.72 0.00 -1.23 -4.30 107.32 100.84 3gfq s GLY 110 Ca 0.36 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.58 3gfq s GLY 110 CO 0.41 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.98 3gfq n GLY 111 N -0.54 3.41 0.14 0.20 0.00 -1.26 -4.71 105.19 102.43 3gfq n GLY 111 Ca 0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3gfq n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gfq h ILE 112 N 0.00 1.02 -0.84 -0.61 5.03 -1.97 -1.65 117.51 118.49 3gfq h ILE 112 Ca 0.00 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.63 3gfq h ILE 112 Cb 0.00 0.63 -0.04 0.00 -3.03 0.00 0.00 36.82 34.37 3gfq h ILE 112 CO 0.00 0.07 0.56 0.78 -0.68 0.00 0.00 178.15 178.87 3gfq h ASN 113 N 0.36 0.95 -0.64 1.72 2.35 -1.88 0.20 115.58 118.65 3gfq h ASN 113 Ca 0.13 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3gfq h ASN 113 Cb 0.01 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3gfq h ASN 113 CO -0.07 0.68 0.15 0.00 -1.65 0.00 0.00 177.43 176.54 3gfq h ALA 114 N 1.32 1.01 0.11 -0.83 0.00 -1.70 -1.80 119.26 117.37 3gfq h ALA 114 Ca 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gfq h ALA 114 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3gfq h ALA 114 CO -0.08 0.64 -0.05 -0.07 0.00 0.00 0.00 179.25 179.69 3gfq h LEU 115 N 1.00 -0.12 -0.83 0.00 3.38 -0.24 -1.13 115.31 117.36 3gfq h LEU 115 Ca 0.21 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3gfq h LEU 115 Cb 0.37 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3gfq h LEU 115 CO 0.00 0.07 0.48 0.78 0.09 0.00 0.00 178.44 179.87 3gfq h ASN 116 N -0.31 0.70 -0.30 -0.43 2.35 -0.62 0.13 115.58 117.10 3gfq h ASN 116 Ca -0.01 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3gfq h ASN 116 Cb 0.26 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3gfq h ASN 116 CO 0.02 0.41 0.03 -1.13 -1.65 0.00 0.00 177.43 175.12 3gfq h ASN 117 N 0.82 -0.04 -0.42 5.81 -0.00 -1.10 0.75 115.58 121.41 3gfq h ASN 117 Ca 0.40 0.06 -0.09 0.00 -0.00 0.00 0.00 56.30 56.66 3gfq h ASN 117 Cb 0.34 0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 3gfq h ASN 117 CO -0.24 0.01 -0.06 0.24 -0.00 0.00 0.00 177.43 177.38 3gfq h MET 118 N 0.13 0.85 -0.13 6.67 2.86 -0.02 -1.45 114.93 123.85 3gfq h MET 118 Ca 0.14 -0.27 -0.21 0.00 -2.06 0.00 0.00 59.70 57.30 3gfq h MET 118 Cb 0.17 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.76 3gfq h MET 118 CO -0.21 0.89 -0.73 -0.09 1.06 0.00 0.00 176.91 177.83 3gfq h ARG 119 N 0.78 0.72 0.03 1.72 2.43 -0.41 0.22 114.38 119.87 3gfq h ARG 119 Ca 0.14 -0.61 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3gfq h ARG 119 Cb 0.56 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3gfq h ARG 119 CO 0.03 1.22 -0.01 1.15 -1.51 0.00 0.00 179.97 180.84 3gfq h THR 120 N 0.42 1.05 -0.61 0.20 2.02 -0.81 -1.18 112.91 114.00 3gfq h THR 120 Ca -0.06 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.91 3gfq h THR 120 Cb 1.37 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 3gfq h THR 120 CO 0.15 0.06 0.39 0.58 0.37 0.00 0.00 175.52 177.07 3gfq h VAL 121 N -0.14 1.12 0.00 3.16 2.07 -1.25 -2.09 116.25 119.12 3gfq h VAL 121 Ca -0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3gfq h VAL 121 Cb 0.13 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3gfq h VAL 121 CO 0.01 0.14 -0.08 0.24 0.02 0.00 0.00 177.57 177.90 3gfq h MET 122 N 0.78 0.00 0.00 1.57 2.07 -0.35 0.15 114.93 119.15 3gfq h MET 122 Ca 0.23 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.70 3gfq h MET 122 Cb -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.66 3gfq h MET 122 CO -0.07 0.08 -0.77 -0.09 1.07 0.00 0.00 176.91 177.12 3gfq h ARG 123 N 0.00 0.00 0.00 1.72 2.43 -0.57 -1.75 114.38 116.21 3gfq h ARG 123 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3gfq h ARG 123 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3gfq h ARG 123 CO 0.01 0.77 -0.18 0.78 -1.51 0.00 0.00 179.97 179.85 3gfq h GLY 124 N 3.10 0.00 -2.51 2.80 0.00 -0.38 -1.89 103.07 104.19 3gfq h GLY 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gfq h GLY 124 CO 0.10 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.97 3gfq n VAL 125 N -3.74 1.33 -1.41 4.60 0.24 -1.13 -4.81 118.33 113.41 3gfq n VAL 125 Ca -0.02 -1.11 -0.13 0.00 -2.04 0.00 0.00 64.34 61.05 3gfq n VAL 125 Cb 0.29 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 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 1.18 -0.02 -1.27 6.34 4.02 -0.71 -3.10 117.16 123.60 3gfq n TYR 126 Ca 0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.80 3gfq n TYR 126 Cb 0.69 -2.41 0.10 0.00 -0.02 0.00 0.00 39.34 37.70 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 -2.50 2.16 -0.92 -0.72 0.00 -0.66 -0.42 121.76 118.70 3gfq s ALA 127 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 3gfq s ALA 127 Cb 0.00 -3.33 0.24 0.00 0.00 0.00 0.00 23.12 20.03 3gfq s ALA 127 CO 0.00 -1.85 0.89 1.21 0.00 0.00 0.00 175.76 176.01 3gfq s ASN 128 N -3.02 6.95 -0.49 0.00 2.47 0.15 -4.69 114.94 116.31 3gfq s ASN 128 Ca 0.64 -2.98 -0.29 0.00 0.42 0.00 0.00 52.86 50.65 3gfq s ASN 128 Cb -0.20 -2.21 0.03 0.00 -1.45 0.00 0.00 41.25 37.42 3gfq s ASN 128 CO 0.53 -0.49 1.14 -0.69 -3.72 0.00 0.00 177.10 173.87 3gfq s VAL 129 N -0.27 4.19 0.70 -5.21 1.01 -1.26 -1.23 120.40 118.34 3gfq s VAL 129 Ca 0.22 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 3gfq s VAL 129 Cb -0.10 -4.62 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 3gfq s VAL 129 CO -0.09 -1.05 0.91 2.30 0.00 0.00 0.00 175.10 177.17 3gfq n ILE 130 N 6.82 2.84 -0.07 2.22 -5.35 -0.67 -4.90 119.36 120.24 3gfq n ILE 130 Ca 0.11 -0.40 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 3gfq n ILE 130 Cb 0.49 -1.06 0.19 0.00 -1.74 0.00 0.00 39.64 37.52 3gfq n ILE 130 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3gfq h PRO 131 N -0.16 0.69 -6.19 6.28 0.11 -1.95 -3.43 132.00 127.36 3gfq h PRO 131 Ca -0.47 -0.19 -0.56 0.00 0.11 0.00 0.00 66.00 64.88 3gfq h PRO 131 Cb 1.34 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3gfq h PRO 131 CO 0.47 0.74 0.85 0.21 -0.21 0.00 0.00 178.00 180.06 3gfq s LYS 132 N -4.89 4.26 0.08 1.05 2.20 -1.26 -5.02 119.74 116.16 3gfq s LYS 132 Ca -0.09 1.66 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 3gfq s LYS 132 Cb 0.15 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3gfq s LYS 132 CO 0.80 -0.64 -0.08 1.14 -0.36 0.00 0.00 175.35 176.21 3gfq s GLN 133 N 3.18 0.74 0.16 4.03 -2.07 -1.26 -4.31 119.66 120.12 3gfq s GLN 133 Ca 0.55 -1.12 0.09 0.00 -1.82 0.00 0.00 55.36 53.06 3gfq s GLN 133 Cb -0.22 -0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 31.36 3gfq s GLN 133 CO 0.16 0.02 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.80 3gfq s LEU 134 N -2.46 2.42 -0.05 2.60 2.96 -0.72 -5.03 118.68 118.40 3gfq s LEU 134 Ca 0.04 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.12 3gfq s LEU 134 Cb -0.01 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.85 3gfq s LEU 134 CO -0.02 -0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.24 3gfq s VAL 135 N -1.94 0.67 -0.00 1.68 1.01 -1.26 -1.57 120.40 118.99 3gfq s VAL 135 Ca 0.15 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3gfq s VAL 135 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3gfq s VAL 135 CO 0.06 0.26 -0.14 -0.76 0.00 0.00 0.00 175.10 174.52 3gfq s LEU 136 N 0.91 2.79 0.29 3.92 1.43 0.37 -4.96 118.68 123.42 3gfq s LEU 136 Ca -0.11 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3gfq s LEU 136 Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3gfq s LEU 136 CO 0.01 0.30 0.23 -1.81 0.23 0.00 0.00 176.35 175.30 3gfq s ASP 137 N -1.15 5.38 0.49 2.29 -0.00 -1.26 -0.13 116.67 122.28 3gfq s ASP 137 Ca 0.14 -0.38 0.28 0.00 -0.00 0.00 0.00 52.55 52.59 3gfq s ASP 137 Cb -0.11 -1.19 1.37 0.00 -0.00 0.00 0.00 42.92 42.99 3gfq s ASP 137 CO 0.04 -0.18 1.84 -0.65 -0.00 0.00 0.00 175.17 176.22 3gfq h PRO 138 N 1.40 0.14 -0.29 8.23 0.11 -1.84 0.11 132.00 139.86 3gfq h PRO 138 Ca -0.47 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3gfq h PRO 138 Cb 1.25 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3gfq h PRO 138 CO 0.60 0.09 -0.23 0.28 -0.21 0.00 0.00 178.00 178.53 3gfq h VAL 139 N 0.14 0.40 0.00 3.15 2.07 -1.95 -1.15 116.25 118.91 3gfq h VAL 139 Ca 0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 3gfq h VAL 139 Cb 1.73 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3gfq h VAL 139 CO -0.09 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.91 3gfq n HIS 140 N -5.38 0.00 -4.35 1.57 8.25 0.38 -4.54 115.22 111.15 3gfq n HIS 140 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 3gfq n HIS 140 Cb 0.29 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.24 3gfq n HIS 140 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gfq s ILE 141 N -2.00 2.39 -1.15 1.59 -1.09 -0.44 -0.26 121.20 120.24 3gfq s ILE 141 Ca 0.13 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 3gfq s ILE 141 Cb 0.06 -2.00 0.21 0.00 -1.58 0.00 0.00 42.46 39.14 3gfq s ILE 141 CO 0.10 0.52 1.29 -0.62 -1.23 0.00 0.00 174.94 175.00 3gfq s ASP 142 N 1.06 7.13 0.17 3.58 -1.08 0.18 -4.88 116.67 122.82 3gfq s ASP 142 Ca -0.01 -3.14 -0.17 0.00 -0.52 0.00 0.00 52.55 48.71 3gfq s ASP 142 Cb -0.14 -2.33 0.10 0.00 -1.46 0.00 0.00 42.92 39.08 3gfq s ASP 142 CO -0.05 -0.60 1.66 0.58 0.52 0.00 0.00 175.17 177.28 3gfq h VAL 143 N 4.39 0.57 -0.76 1.11 2.07 -1.90 -0.37 116.25 121.37 3gfq h VAL 143 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 3gfq h VAL 143 Cb 0.89 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3gfq h VAL 143 CO 1.14 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 179.07 3gfq h GLU 144 N -0.02 1.05 -0.61 1.57 4.81 -1.94 -1.75 114.58 117.70 3gfq h GLU 144 Ca 0.19 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gfq h GLU 144 Cb 0.31 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3gfq h GLU 144 CO -0.42 0.77 0.00 0.09 -0.73 0.00 0.00 179.01 178.72 3gfq n ASN 145 N -4.35 3.44 -3.87 1.04 3.02 -0.87 -4.97 115.26 108.70 3gfq n ASN 145 Ca 0.08 -2.10 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 3gfq n ASN 145 Cb 0.10 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 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 1.17 -2.64 -3.50 5.41 0.00 -0.20 -4.94 120.51 115.81 3gfq n ALA 146 Ca 0.20 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.28 3gfq n ALA 146 Cb 0.58 -2.59 0.01 0.00 0.00 0.00 0.00 19.45 17.45 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 -4.18 0.00 -4.22 0.00 5.66 -0.95 -4.92 114.28 105.66 3gfq n THR 147 Ca -0.14 -0.36 -0.23 0.00 -3.05 0.00 0.00 64.05 60.27 3gfq n THR 147 Cb 0.59 0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 69.76 3gfq n THR 147 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3gfq s VAL 148 N -2.31 3.23 1.01 1.08 -7.23 -1.26 0.48 120.40 115.39 3gfq s VAL 148 Ca 0.12 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 3gfq s VAL 148 Cb -0.02 -2.91 0.20 0.00 0.56 0.00 0.00 36.38 34.21 3gfq s VAL 148 CO 0.04 -0.28 1.09 0.00 -0.31 0.00 0.00 175.10 175.64 3gfq s ALA 149 N -2.38 0.74 0.19 1.32 0.00 0.64 -4.71 121.76 117.55 3gfq s ALA 149 Ca 0.34 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 3gfq s ALA 149 Cb -0.04 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.82 3gfq s ALA 149 CO 0.21 -3.13 1.49 0.93 0.00 0.00 0.00 175.76 175.25 3gfq h GLU 150 N -2.13 0.52 -0.05 0.00 4.39 -1.97 -3.24 114.58 112.11 3gfq h GLU 150 Ca -0.51 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 58.76 3gfq h GLU 150 Cb 1.29 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3gfq h GLU 150 CO 0.46 0.97 -0.35 -2.95 -1.16 0.00 0.00 179.01 175.97 3gfq h ASN 151 N 0.39 0.10 1.96 1.42 -1.07 -1.97 -2.90 115.58 113.51 3gfq h ASN 151 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 56.30 56.33 3gfq h ASN 151 Cb 1.15 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 37.37 3gfq h ASN 151 CO 0.11 0.45 -0.04 -0.29 0.07 0.00 0.00 177.43 177.73 3gfq h ILE 152 N 0.08 0.04 -0.98 6.14 6.09 -1.91 -3.36 117.51 123.60 3gfq h ILE 152 Ca 0.01 -1.05 0.04 0.00 -1.37 0.00 0.00 64.86 62.49 3gfq h ILE 152 Cb 0.67 2.01 -0.06 0.00 0.47 0.00 0.00 36.82 39.91 3gfq h ILE 152 CO 0.05 0.02 0.65 0.11 -3.07 0.00 0.00 178.15 175.91 3gfq h LYS 153 N 0.00 1.21 -0.15 2.19 1.57 -1.55 -2.33 116.57 117.50 3gfq h LYS 153 Ca -0.00 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3gfq h LYS 153 Cb 1.02 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3gfq h LYS 153 CO 0.00 0.80 -0.34 1.49 -0.57 0.00 0.00 179.45 180.83 3gfq h GLU 154 N 1.24 0.49 -0.72 3.15 4.81 -1.76 -1.31 114.58 120.48 3gfq h GLU 154 Ca 0.39 -0.33 0.15 0.00 -0.13 0.00 0.00 59.36 59.45 3gfq h GLU 154 Cb 0.01 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.33 3gfq h GLU 154 CO -0.12 0.94 0.15 0.77 -0.73 0.00 0.00 179.01 180.01 3gfq h SER 155 N 0.11 -0.04 -0.42 1.04 0.02 -1.67 0.51 113.55 113.10 3gfq h SER 155 Ca -0.00 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3gfq h SER 155 Cb 0.94 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3gfq h SER 155 CO 0.07 -0.05 0.05 0.40 -1.14 0.00 0.00 176.83 176.16 3gfq h ILE 156 N 0.24 1.25 -0.61 3.27 2.04 -1.38 -1.37 117.51 120.95 3gfq h ILE 156 Ca 0.40 -0.93 0.09 0.00 1.00 0.00 0.00 64.86 65.42 3gfq h ILE 156 Cb 0.68 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3gfq h ILE 156 CO -0.51 0.32 0.24 0.50 0.00 0.00 0.00 178.15 178.69 3gfq h LYS 157 N 0.57 0.41 -0.22 2.37 3.64 0.34 0.53 116.57 124.20 3gfq h LYS 157 Ca 0.13 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3gfq h LYS 157 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3gfq h LYS 157 CO 0.01 0.27 -0.25 0.93 -2.27 0.00 0.00 179.45 178.15 3gfq h GLU 158 N 0.42 0.40 0.04 1.90 5.08 0.19 -1.92 114.58 120.70 3gfq h GLU 158 Ca 0.31 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3gfq h GLU 158 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gfq h GLU 158 CO -0.30 0.63 -0.02 1.25 -1.00 0.00 0.00 179.01 179.57 3gfq h LEU 159 N 0.36 -0.05 -0.07 1.33 5.85 -0.39 -2.29 115.31 120.05 3gfq h LEU 159 Ca 0.05 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3gfq h LEU 159 Cb 0.63 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3gfq h LEU 159 CO 0.05 0.47 0.04 0.58 -0.34 0.00 0.00 178.44 179.24 3gfq h VAL 160 N -0.59 1.00 -0.85 1.05 2.07 -0.88 -1.38 116.25 116.67 3gfq h VAL 160 Ca -0.01 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3gfq h VAL 160 Cb 0.53 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3gfq h VAL 160 CO 0.01 0.02 0.50 -0.33 0.02 0.00 0.00 177.57 177.79 3gfq h GLU 161 N 0.08 1.16 0.00 1.57 5.08 -1.45 0.60 114.58 121.63 3gfq h GLU 161 Ca 0.03 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3gfq h GLU 161 Cb 0.00 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3gfq h GLU 161 CO -0.02 0.83 -0.10 1.49 -1.00 0.00 0.00 179.01 180.20 3gfq h GLU 162 N 1.18 0.00 -0.06 2.33 4.81 -1.14 -0.33 114.58 121.36 3gfq h GLU 162 Ca 0.30 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3gfq h GLU 162 Cb -0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3gfq h GLU 162 CO -0.06 0.10 -0.08 1.25 -0.73 0.00 0.00 179.01 179.50 3gfq h LEU 163 N 0.00 0.18 -0.90 1.64 5.85 0.19 -2.68 115.31 119.59 3gfq h LEU 163 Ca -0.00 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.27 3gfq h LEU 163 Cb 0.20 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3gfq h LEU 163 CO 0.01 0.67 0.56 0.28 -0.34 0.00 0.00 178.44 179.62 3gfq h SER 164 N -0.30 0.88 -0.01 1.25 0.02 -0.59 -0.08 113.55 114.72 3gfq h SER 164 Ca 0.01 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3gfq h SER 164 Cb 0.62 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3gfq h SER 164 CO 0.02 0.55 -0.32 -0.03 -1.14 0.00 0.00 176.83 175.91 3gfq h MET 165 N 1.01 -0.45 -0.02 3.45 1.85 -1.04 -0.70 114.93 119.03 3gfq h MET 165 Ca 0.39 0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.54 3gfq h MET 165 Cb 0.20 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.29 3gfq h MET 165 CO -0.18 -0.30 -0.18 0.74 -0.40 0.00 0.00 176.91 176.59 3gfq h PHE 166 N -0.47 -0.46 -0.74 1.39 -1.00 -1.07 -1.95 116.94 112.63 3gfq h PHE 166 Ca 0.06 0.02 0.16 0.00 2.81 0.00 0.00 57.97 61.03 3gfq h PHE 166 Cb 0.56 0.21 -0.11 0.00 3.61 0.00 0.00 35.95 40.22 3gfq h PHE 166 CO -0.35 -0.26 0.17 0.00 -1.61 0.00 0.00 178.31 176.26 3gfq h ALA 167 N 0.65 0.96 0.18 2.45 0.00 -0.59 -2.87 119.26 120.04 3gfq h ALA 167 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gfq h ALA 167 Cb 0.36 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gfq h ALA 167 CO -0.18 -0.35 -0.09 0.87 0.00 0.00 0.00 179.25 179.50 3gfq h LYS 168 N 0.25 -0.23 0.00 0.00 1.57 -0.85 -3.51 116.57 113.81 3gfq h LYS 168 Ca 0.42 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3gfq h LYS 168 Cb 0.73 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3gfq h LYS 168 CO -0.53 -0.15 0.00 0.00 -0.57 0.00 0.00 179.45 178.20