#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfj s VAL 2 N 0.00 3.79 0.56 3.15 1.01 -1.26 -0.96 120.40 126.69 1gfj s VAL 2 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1gfj s VAL 2 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1gfj s VAL 2 CO 0.00 -0.09 1.08 -0.36 0.00 0.00 0.00 175.10 175.73 1gfj s PHE 3 N 1.43 2.87 0.42 5.22 0.08 -0.45 -4.99 117.98 122.54 1gfj s PHE 3 Ca -0.00 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.54 1gfj s PHE 3 Cb -0.19 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1gfj s PHE 3 CO 0.02 -1.23 0.71 -1.21 -0.10 0.00 0.00 175.22 173.41 1gfj s GLU 4 N -3.69 3.57 0.05 0.44 2.02 -1.26 -4.86 118.70 114.97 1gfj s GLU 4 Ca 0.67 0.10 -0.13 0.00 0.02 0.00 0.00 54.97 55.63 1gfj s GLU 4 Cb -0.18 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 1gfj s GLU 4 CO 0.31 -0.06 1.21 -0.09 0.02 0.00 0.00 175.26 176.65 1gfj h ARG 5 N 0.64 -0.20 0.00 1.61 2.43 -1.97 -1.76 114.38 115.13 1gfj h ARG 5 Ca -0.48 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1gfj h ARG 5 Cb 1.20 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1gfj h ARG 5 CO 0.62 -0.13 -0.28 0.00 -1.51 0.00 0.00 179.97 178.67 1gfj h GLU 7 N 0.00 0.47 -0.35 0.00 4.81 -1.91 -1.22 114.58 116.38 1gfj h GLU 7 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1gfj h GLU 7 Cb 0.51 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1gfj h GLU 7 CO 0.04 0.32 -0.06 1.25 -0.73 0.00 0.00 179.01 179.83 1gfj h LEU 8 N 0.48 0.66 -0.76 1.64 5.85 -0.64 -1.52 115.31 121.02 1gfj h LEU 8 Ca 0.13 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1gfj h LEU 8 Cb -0.05 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 1gfj h LEU 8 CO -0.03 0.85 0.43 0.00 -0.34 0.00 0.00 178.44 179.36 1gfj h ALA 9 N 0.83 1.05 -0.12 1.25 0.00 -0.82 0.18 119.26 121.62 1gfj h ALA 9 Ca 0.09 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1gfj h ALA 9 Cb 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gfj h ALA 9 CO 0.03 0.11 -0.70 0.00 0.00 0.00 0.00 179.25 178.68 1gfj h ARG 10 N 0.77 0.53 -0.41 0.00 3.08 -1.19 -1.27 114.38 115.89 1gfj h ARG 10 Ca 0.35 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1gfj h ARG 10 Cb 0.25 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1gfj h ARG 10 CO -0.21 1.04 0.24 1.15 -1.07 0.00 0.00 179.97 181.12 1gfj h THR 11 N 0.37 1.14 -0.53 2.04 2.02 -0.49 -0.24 112.91 117.23 1gfj h THR 11 Ca -0.03 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1gfj h THR 11 Cb 1.29 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1gfj h THR 11 CO 0.13 0.15 0.11 -0.07 0.37 0.00 0.00 175.52 176.20 1gfj h LEU 12 N 0.54 0.82 -0.52 2.58 3.38 -0.61 -2.27 115.31 119.24 1gfj h LEU 12 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1gfj h LEU 12 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1gfj h LEU 12 CO -0.03 0.86 0.29 0.50 0.09 0.00 0.00 178.44 180.15 1gfj h LYS 13 N 0.75 0.73 0.00 1.13 3.64 -0.91 -1.58 116.57 120.33 1gfj h LYS 13 Ca 0.16 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1gfj h LYS 13 Cb 0.37 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1gfj h LYS 13 CO 0.01 0.56 -0.08 0.00 -2.27 0.00 0.00 179.45 177.67 1gfj h ARG 14 N 0.70 0.00 -0.16 1.90 3.08 -0.83 -1.41 114.38 117.66 1gfj h ARG 14 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1gfj h ARG 14 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1gfj h ARG 14 CO -0.03 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1gfj n LEU 15 N -3.66 1.18 -0.08 3.04 4.77 -0.64 -4.92 117.00 116.70 1gfj n LEU 15 Ca -0.02 -0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 55.42 1gfj n LEU 15 Cb 0.19 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gfj n LEU 15 CO 0.29 0.26 -0.01 0.61 -1.33 0.00 0.00 177.39 177.21 1gfj n GLY 16 N 0.97 0.36 0.10 -0.72 0.00 -0.53 -4.97 105.19 100.41 1gfj n GLY 16 Ca 0.13 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1gfj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfj h MET 17 N 0.00 0.00 -6.06 1.61 2.86 -1.60 -3.40 114.93 108.34 1gfj h MET 17 Ca -0.02 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.10 1gfj h MET 17 Cb 0.77 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1gfj h MET 17 CO 0.02 0.00 1.35 0.34 1.06 0.00 0.00 176.91 179.68 1gfj s ASP 18 N -4.97 5.43 0.00 1.22 2.15 -1.26 -2.18 116.67 117.06 1gfj s ASP 18 Ca 0.03 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1gfj s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1gfj s ASP 18 CO 0.76 -2.16 0.00 0.61 -0.17 0.00 0.00 175.17 174.21 1gfj n GLY 19 N 5.62 0.71 3.67 2.66 0.00 0.63 -4.91 105.19 113.56 1gfj n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1gfj n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gfj n TYR 20 N -2.51 2.54 -4.07 1.61 9.36 -0.93 -0.96 117.16 122.20 1gfj n TYR 20 Ca 0.00 -0.30 -0.33 0.00 3.32 0.00 0.00 57.90 60.59 1gfj n TYR 20 Cb 0.00 -2.78 -0.00 0.00 -0.63 0.00 0.00 39.34 35.92 1gfj n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gfj n ARG 21 N 6.99 -4.11 -0.97 2.98 5.12 -1.26 -1.38 116.66 124.04 1gfj n ARG 21 Ca 0.20 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.58 1gfj n ARG 21 Cb 0.39 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.49 1gfj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfj n GLY 22 N -1.56 0.60 3.56 -0.13 0.00 -0.13 -4.98 105.19 102.54 1gfj n GLY 22 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1gfj n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfj s ILE 23 N -2.55 5.15 0.70 -0.61 1.01 -0.48 -4.89 121.20 119.54 1gfj s ILE 23 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.74 1gfj s ILE 23 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1gfj s ILE 23 CO 0.00 -0.04 1.13 -0.94 0.00 0.00 0.00 174.94 175.09 1gfj s SER 24 N 1.72 4.72 0.31 3.58 1.04 -1.26 -0.27 113.70 123.53 1gfj s SER 24 Ca 0.14 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.64 1gfj s SER 24 Cb -0.16 -2.56 0.56 0.00 0.10 0.00 0.00 66.02 63.97 1gfj s SER 24 CO 0.11 -1.89 1.91 0.25 0.98 0.00 0.00 173.24 174.60 1gfj h LEU 25 N -0.30 0.88 -1.69 2.42 5.85 -1.91 -0.88 115.31 119.68 1gfj h LEU 25 Ca -0.46 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1gfj h LEU 25 Cb 1.26 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1gfj h LEU 25 CO 0.52 0.55 0.22 0.00 -0.34 0.00 0.00 178.44 179.40 1gfj h ALA 26 N 1.52 1.80 -0.25 1.25 0.00 -1.91 -0.58 119.26 121.08 1gfj h ALA 26 Ca 0.39 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1gfj h ALA 26 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gfj h ALA 26 CO -0.15 0.18 -0.41 -0.91 0.00 0.00 0.00 179.25 177.96 1gfj h ASN 27 N 0.42 0.80 -0.72 0.00 2.35 -1.49 -1.41 115.58 115.54 1gfj h ASN 27 Ca 0.13 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 55.30 1gfj h ASN 27 Cb -0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1gfj h ASN 27 CO -0.03 1.17 0.22 -0.50 -1.65 0.00 0.00 177.43 176.63 1gfj h TRP 28 N 0.46 1.16 -0.06 1.19 4.06 -1.17 -0.50 115.95 121.09 1gfj h TRP 28 Ca 0.02 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1gfj h TRP 28 Cb 1.00 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.82 1gfj h TRP 28 CO 0.08 0.93 0.03 0.52 -3.56 0.00 0.00 178.44 176.44 1gfj h MET 29 N 1.06 0.08 -0.91 0.49 2.86 -1.06 -0.30 114.93 117.15 1gfj h MET 29 Ca 0.23 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1gfj h MET 29 Cb 0.32 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1gfj h MET 29 CO -0.01 0.14 0.60 0.00 1.06 0.00 0.00 176.91 178.71 1gfj h LEU 31 N 1.14 -0.04 -0.98 0.00 5.85 -0.72 -1.92 115.31 118.64 1gfj h LEU 31 Ca 0.36 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1gfj h LEU 31 Cb 0.02 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1gfj h LEU 31 CO -0.11 0.19 0.16 0.00 -0.34 0.00 0.00 178.44 178.34 1gfj h ALA 32 N 0.70 1.17 0.36 1.25 0.00 -0.76 0.47 119.26 122.45 1gfj h ALA 32 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gfj h ALA 32 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gfj h ALA 32 CO 0.01 0.57 -0.20 -0.22 0.00 0.00 0.00 179.25 179.41 1gfj h LYS 33 N 0.87 -0.51 0.00 0.00 1.63 -0.68 -1.26 116.57 116.63 1gfj h LYS 33 Ca 0.19 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 1gfj h LYS 33 Cb 0.29 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1gfj h LYS 33 CO -0.00 -0.34 -0.48 -1.49 -3.45 0.00 0.00 179.45 173.69 1gfj h TRP 34 N -0.52 0.00 -0.00 1.91 4.06 -1.22 -0.15 115.95 120.03 1gfj h TRP 34 Ca -0.04 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.81 1gfj h TRP 34 Cb 0.42 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.59 1gfj h TRP 34 CO -0.07 0.48 -0.36 0.93 -3.56 0.00 0.00 178.44 175.86 1gfj h GLU 35 N 0.00 0.25 0.00 0.49 4.39 -0.82 -3.42 114.58 115.46 1gfj h GLU 35 Ca -0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1gfj h GLU 35 Cb 1.14 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1gfj h GLU 35 CO 0.06 0.98 0.00 -1.13 -1.16 0.00 0.00 179.01 177.76 1gfj n SER 36 N -4.42 0.18 -1.40 1.42 3.41 -0.52 -4.83 113.62 107.47 1gfj n SER 36 Ca -0.10 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.69 1gfj n SER 36 Cb 0.56 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1gfj n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfj n GLY 37 N 0.10 -0.06 2.27 5.00 0.00 -0.07 -2.49 105.19 109.94 1gfj n GLY 37 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1gfj n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfj n TYR 38 N -3.93 -0.22 -3.52 1.61 0.53 -1.17 -4.80 117.16 105.66 1gfj n TYR 38 Ca -0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.32 1gfj n TYR 38 Cb 0.60 -2.26 -0.10 0.00 -1.03 0.00 0.00 39.34 36.55 1gfj n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfj s ASN 39 N -2.73 6.04 0.58 7.72 2.47 -1.04 -1.34 114.94 126.63 1gfj s ASN 39 Ca 0.00 -0.56 0.36 0.00 0.42 0.00 0.00 52.86 53.08 1gfj s ASN 39 Cb 0.00 -2.13 1.62 0.00 -1.45 0.00 0.00 41.25 39.29 1gfj s ASN 39 CO 0.00 -0.29 2.08 0.71 -3.72 0.00 0.00 177.10 175.88 1gfj h THR 40 N 5.54 0.04 -0.04 -5.21 1.35 -1.37 -2.81 112.91 110.41 1gfj h THR 40 Ca -0.30 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1gfj h THR 40 Cb 1.15 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1gfj h THR 40 CO 0.66 0.01 0.00 0.54 -0.25 0.00 0.00 175.52 176.48 1gfj n ARG 41 N -3.12 1.89 -1.72 4.72 1.74 -1.26 -4.02 116.66 114.89 1gfj n ARG 41 Ca -0.00 -1.30 -0.43 0.00 -0.77 0.00 0.00 57.85 55.35 1gfj n ARG 41 Cb 0.25 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1gfj n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfj n ALA 42 N 0.58 1.94 -3.07 7.54 0.00 -1.07 -4.79 120.51 121.65 1gfj n ALA 42 Ca 0.17 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1gfj n ALA 42 Cb 0.43 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 1gfj n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gfj s THR 43 N -0.36 0.04 -0.08 0.00 -4.23 -1.26 -1.22 115.64 108.53 1gfj s THR 43 Ca 0.62 -0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 1gfj s THR 43 Cb -0.54 -0.32 0.04 0.00 1.34 0.00 0.00 72.50 73.02 1gfj s THR 43 CO 0.53 -0.20 0.11 0.21 -0.54 0.00 0.00 174.62 174.73 1gfj s ASN 44 N -0.66 1.21 0.05 3.99 2.47 -0.70 -4.96 114.94 116.34 1gfj s ASN 44 Ca -0.07 0.04 -0.21 0.00 0.42 0.00 0.00 52.86 53.04 1gfj s ASN 44 Cb -0.04 0.01 -0.06 0.00 -1.45 0.00 0.00 41.25 39.71 1gfj s ASN 44 CO 0.01 -0.27 0.61 -0.47 -3.72 0.00 0.00 177.10 173.26 1gfj s TYR 45 N 2.22 3.77 -0.43 0.43 6.04 -1.26 -0.69 117.35 127.42 1gfj s TYR 45 Ca 0.04 1.29 -0.06 0.00 0.04 0.00 0.00 57.07 58.38 1gfj s TYR 45 Cb -0.13 -2.58 0.11 0.00 -1.04 0.00 0.00 41.96 38.33 1gfj s TYR 45 CO -0.05 0.48 0.27 -0.80 -1.54 0.00 0.00 175.55 173.90 1gfj s ASN 46 N -0.73 5.47 0.48 4.32 0.01 0.12 -4.96 114.94 119.65 1gfj s ASN 46 Ca 0.31 -1.93 0.15 0.00 -0.71 0.00 0.00 52.86 50.67 1gfj s ASN 46 Cb -0.19 -1.92 1.11 0.00 0.41 0.00 0.00 41.25 40.66 1gfj s ASN 46 CO 0.19 -0.60 2.07 0.00 -1.51 0.00 0.00 177.10 177.24 1gfj h ALA 47 N 8.25 1.83 -0.11 0.60 0.00 -1.96 -0.89 119.26 126.99 1gfj h ALA 47 Ca -0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1gfj h ALA 47 Cb 1.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1gfj h ALA 47 CO 0.77 0.13 -0.08 0.78 0.00 0.00 0.00 179.25 180.85 1gfj h GLY 48 N 0.30 0.01 -0.18 0.00 0.00 -1.95 -3.24 103.07 98.01 1gfj h GLY 48 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1gfj h GLY 48 CO 0.01 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.55 1gfj n ASP 49 N -5.21 2.45 -3.06 0.19 5.75 -1.18 -5.00 116.55 110.49 1gfj n ASP 49 Ca -0.04 -2.90 -0.21 0.00 -0.01 0.00 0.00 54.79 51.63 1gfj n ASP 49 Cb 0.14 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1gfj n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfj n ARG 50 N -1.18 -3.83 -4.14 0.11 1.74 -0.35 -4.78 116.66 104.24 1gfj n ARG 50 Ca 0.14 0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 57.69 1gfj n ARG 50 Cb 0.60 -5.47 -0.07 0.00 -1.02 0.00 0.00 32.46 26.50 1gfj n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfj s SER 51 N -2.60 4.48 0.01 0.55 1.04 -1.15 -4.45 113.70 111.58 1gfj s SER 51 Ca 0.29 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1gfj s SER 51 Cb -0.14 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 1gfj s SER 51 CO 0.36 -0.41 -0.09 -0.89 0.98 0.00 0.00 173.24 173.18 1gfj s THR 52 N -2.53 0.71 -0.19 2.02 2.01 -1.26 -0.70 115.64 115.71 1gfj s THR 52 Ca 0.39 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.71 1gfj s THR 52 Cb 0.01 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1gfj s THR 52 CO 0.22 0.08 0.23 -1.81 -0.69 0.00 0.00 174.62 172.65 1gfj s ASP 53 N -0.54 6.31 -0.04 3.53 1.01 0.13 -1.24 116.67 125.83 1gfj s ASP 53 Ca 0.01 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.68 1gfj s ASP 53 Cb -0.05 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1gfj s ASP 53 CO 0.00 0.10 -0.20 -0.31 0.21 0.00 0.00 175.17 174.98 1gfj s TYR 54 N 0.62 2.55 0.00 4.23 2.02 -0.05 -1.72 117.35 124.99 1gfj s TYR 54 Ca 0.13 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1gfj s TYR 54 Cb -0.13 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1gfj s TYR 54 CO 0.02 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.46 1gfj n GLY 55 N 2.47 -1.42 0.28 0.71 0.00 -0.35 -1.33 105.19 105.55 1gfj n GLY 55 Ca -0.17 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1gfj n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfj h ILE 56 N 0.00 0.70 -0.10 -0.61 2.10 -1.69 -1.35 117.51 116.56 1gfj h ILE 56 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1gfj h ILE 56 Cb 0.00 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1gfj h ILE 56 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.15 177.60 1gfj n PHE 57 N -4.01 0.12 -3.75 2.19 0.99 -1.26 -3.96 117.46 107.77 1gfj n PHE 57 Ca -0.03 -0.10 -0.31 0.00 -0.00 0.00 0.00 57.45 57.02 1gfj n PHE 57 Cb 0.13 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.64 1gfj n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfj n GLN 58 N 0.81 -1.73 -2.65 -1.08 1.13 -0.51 -4.90 117.38 108.45 1gfj n GLN 58 Ca 0.10 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 1gfj n GLN 58 Cb 0.38 -4.18 -0.03 0.00 0.11 0.00 0.00 30.24 26.53 1gfj n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfj s ILE 59 N -3.57 4.69 0.16 5.09 1.01 -0.44 -4.40 121.20 123.74 1gfj s ILE 59 Ca 0.37 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.69 1gfj s ILE 59 Cb -0.14 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 1gfj s ILE 59 CO 0.87 -0.01 1.10 0.21 0.00 0.00 0.00 174.94 177.10 1gfj s ASN 60 N 1.17 7.26 0.28 3.58 3.84 -1.26 -0.87 114.94 128.94 1gfj s ASN 60 Ca 0.49 2.06 0.24 0.00 0.21 0.00 0.00 52.86 55.86 1gfj s ASN 60 Cb -0.19 -2.60 1.01 0.00 -0.55 0.00 0.00 41.25 38.92 1gfj s ASN 60 CO 0.17 -0.24 1.73 0.77 -2.79 0.00 0.00 177.10 176.75 1gfj h SER 61 N 5.34 0.00 0.08 -4.21 4.64 -1.42 -1.88 113.55 116.10 1gfj h SER 61 Ca -0.44 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1gfj h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gfj h SER 61 CO 0.73 0.00 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.41 1gfj h ARG 62 N 0.00 0.22 0.00 4.77 2.43 -1.83 -3.39 114.38 116.58 1gfj h ARG 62 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1gfj h ARG 62 Cb 0.37 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1gfj h ARG 62 CO 0.00 0.42 -0.79 0.66 -1.51 0.00 0.00 179.97 178.75 1gfj n TYR 63 N -4.22 0.00 -0.10 2.20 4.01 -1.16 0.27 117.16 118.16 1gfj n TYR 63 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1gfj n TYR 63 Cb 0.31 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.19 1gfj n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfj n TRP 64 N -1.84 0.05 -4.08 -0.72 7.02 -0.72 -0.45 117.44 116.71 1gfj n TRP 64 Ca 0.00 0.02 -0.07 0.00 -1.02 0.00 0.00 57.50 56.43 1gfj n TRP 64 Cb 0.39 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 1gfj n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfj s ASN 66 N -2.93 5.67 0.00 0.00 2.47 -0.02 -4.59 114.94 115.56 1gfj s ASN 66 Ca 0.08 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1gfj s ASN 66 Cb 0.08 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1gfj s ASN 66 CO -0.09 0.11 0.72 -0.90 -3.72 0.00 0.00 177.10 173.21 1gfj n ASP 67 N 4.00 1.40 0.00 -4.21 5.75 -1.26 -0.99 116.55 121.23 1gfj n ASP 67 Ca -0.16 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1gfj n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gfj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gfj n GLY 68 N -0.23 0.84 0.38 6.12 0.00 -1.26 -4.74 105.19 106.31 1gfj n GLY 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1gfj n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfj n LYS 69 N -2.00 2.13 -3.54 1.61 2.85 -1.26 -4.95 118.16 113.00 1gfj n LYS 69 Ca 0.00 -1.61 -0.40 0.00 -1.05 0.00 0.00 58.31 55.25 1gfj n LYS 69 Cb 0.00 -1.17 -0.11 0.00 -0.65 0.00 0.00 35.03 33.11 1gfj n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfj s THR 70 N -0.89 5.25 -0.07 0.58 2.01 -1.26 -4.96 115.64 116.30 1gfj s THR 70 Ca 0.13 -0.19 -0.36 0.00 0.31 0.00 0.00 61.69 61.59 1gfj s THR 70 Cb 0.07 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.77 1gfj s THR 70 CO 0.10 0.02 1.73 -2.65 -0.69 0.00 0.00 174.62 173.13 1gfj n PRO 71 N 5.09 1.81 -3.29 4.92 -0.02 -1.26 -2.47 135.00 139.78 1gfj n PRO 71 Ca -0.13 0.66 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1gfj n PRO 71 Cb 0.50 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1gfj n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfj n GLY 72 N 3.96 -0.50 3.89 -1.23 0.00 -1.26 -4.96 105.19 105.10 1gfj n GLY 72 Ca 0.22 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1gfj n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfj s ALA 73 N -3.04 3.25 0.51 4.61 0.00 -1.03 -5.04 121.76 121.01 1gfj s ALA 73 Ca 0.39 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.06 1gfj s ALA 73 Cb -0.20 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.14 1gfj s ALA 73 CO 0.48 -0.57 0.44 -0.51 0.00 0.00 0.00 175.76 175.60 1gfj s ASP 74 N -4.17 4.79 -0.41 0.00 -0.00 0.14 -4.99 116.67 112.03 1gfj s ASP 74 Ca 0.52 -1.06 0.09 0.00 -0.00 0.00 0.00 52.55 52.09 1gfj s ASP 74 Cb -0.11 0.10 0.29 0.00 -0.00 0.00 0.00 42.92 43.21 1gfj s ASP 74 CO 0.49 -0.99 0.73 -3.20 -0.00 0.00 0.00 175.17 172.20 1gfj n ASN 75 N -1.75 -0.55 0.27 0.27 5.15 -1.14 -3.96 115.26 113.54 1gfj n ASN 75 Ca 0.02 -3.04 0.11 0.00 -0.60 0.00 0.00 54.58 51.07 1gfj n ASN 75 Cb 0.63 0.18 0.72 0.00 -0.53 0.00 0.00 39.78 40.79 1gfj n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfj h ALA 76 N 3.57 1.69 -0.00 5.20 0.00 -0.80 -1.06 119.26 127.86 1gfj h ALA 76 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gfj h ALA 76 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1gfj h ALA 76 CO 0.40 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 1gfj n HIS 78 N -1.32 -2.10 -3.90 0.00 -0.00 -0.40 -4.97 115.22 102.54 1gfj n HIS 78 Ca 0.08 0.64 -0.10 0.00 -0.00 0.00 0.00 57.72 58.33 1gfj n HIS 78 Cb 0.33 -3.79 -0.10 0.00 -0.00 0.00 0.00 29.99 26.42 1gfj n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfj s LEU 79 N -6.14 1.74 0.31 2.41 1.43 -1.26 -5.07 118.68 112.10 1gfj s LEU 79 Ca 0.41 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1gfj s LEU 79 Cb -0.11 0.54 -0.09 0.00 0.03 0.00 0.00 46.19 46.55 1gfj s LEU 79 CO 0.81 -0.37 1.04 -0.55 0.23 0.00 0.00 176.35 177.51 1gfj s SER 80 N -1.49 7.22 0.64 2.29 0.15 -1.26 -0.84 113.70 120.41 1gfj s SER 80 Ca -0.14 2.11 0.37 0.00 0.70 0.00 0.00 55.95 58.99 1gfj s SER 80 Cb -0.07 -2.61 2.08 0.00 -1.71 0.00 0.00 66.02 63.71 1gfj s SER 80 CO 0.00 -0.16 2.26 0.00 1.20 0.00 0.00 173.24 176.54 1gfj h SER 82 N 0.00 0.44 0.10 0.00 0.87 -1.90 -0.78 113.55 112.28 1gfj h SER 82 Ca 0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gfj h SER 82 Cb 0.14 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1gfj h SER 82 CO -0.00 0.29 -0.01 0.00 -0.53 0.00 0.00 176.83 176.59 1gfj h ALA 83 N 1.72 1.10 -0.27 6.23 0.00 -1.39 -0.38 119.26 126.26 1gfj h ALA 83 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gfj h ALA 83 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1gfj h ALA 83 CO -0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1gfj n LEU 84 N -3.24 1.93 -0.24 0.00 4.77 -0.30 -3.77 117.00 116.15 1gfj n LEU 84 Ca -0.03 -0.88 0.04 0.00 -0.03 0.00 0.00 56.01 55.12 1gfj n LEU 84 Cb 0.10 -0.18 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1gfj n LEU 84 CO 0.22 0.44 0.56 0.18 -1.33 0.00 0.00 177.39 177.47 1gfj n LEU 85 N 0.51 2.47 -4.86 2.23 4.77 -0.15 -3.19 117.00 118.77 1gfj n LEU 85 Ca 0.15 -2.35 -0.31 0.00 -0.03 0.00 0.00 56.01 53.47 1gfj n LEU 85 Cb 0.34 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1gfj n LEU 85 CO 0.11 0.61 0.59 -1.10 -1.33 0.00 0.00 177.39 176.28 1gfj s GLN 86 N -1.62 3.79 0.26 3.23 -0.21 -1.24 -4.67 119.66 119.20 1gfj s GLN 86 Ca 0.16 0.69 0.03 0.00 0.02 0.00 0.00 55.36 56.27 1gfj s GLN 86 Cb 0.12 -2.22 0.35 0.00 1.00 0.00 0.00 33.01 32.26 1gfj s GLN 86 CO 0.05 -0.26 1.66 -0.44 -2.12 0.00 0.00 175.29 174.18 1gfj h ASP 87 N 0.69 0.40 -3.16 5.90 5.19 -1.94 -3.40 116.42 120.10 1gfj h ASP 87 Ca -0.46 -0.17 -0.58 0.00 -0.62 0.00 0.00 57.03 55.20 1gfj h ASP 87 Cb 1.19 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1gfj h ASP 87 CO 0.62 0.76 0.67 0.21 -3.12 0.00 0.00 179.24 178.38 1gfj s ASN 88 N -6.86 7.07 -0.01 6.45 3.84 -1.26 -4.91 114.94 119.26 1gfj s ASN 88 Ca -0.06 1.33 0.14 0.00 0.21 0.00 0.00 52.86 54.48 1gfj s ASN 88 Cb 0.13 -2.52 0.41 0.00 -0.55 0.00 0.00 41.25 38.72 1gfj s ASN 88 CO 0.79 -0.58 1.34 2.30 -2.79 0.00 0.00 177.10 178.16 1gfj n ILE 89 N 5.13 0.65 -0.14 -5.21 -5.35 -1.26 -4.47 119.36 108.70 1gfj n ILE 89 Ca 0.10 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.92 1gfj n ILE 89 Cb 0.47 0.28 0.05 0.00 -1.74 0.00 0.00 39.64 38.70 1gfj n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfj h ALA 90 N 3.82 0.52 -0.38 -1.28 0.00 -1.94 0.16 119.26 120.16 1gfj h ALA 90 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1gfj h ALA 90 Cb 0.64 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1gfj h ALA 90 CO 0.01 -0.28 -0.22 -0.44 0.00 0.00 0.00 179.25 178.32 1gfj h ASP 91 N 0.27 0.75 -0.68 0.00 3.45 -1.86 -0.95 116.42 117.41 1gfj h ASP 91 Ca 0.22 -0.27 -0.07 0.00 0.43 0.00 0.00 57.03 57.34 1gfj h ASP 91 Cb 0.26 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 1gfj h ASP 91 CO -0.26 0.95 0.16 0.00 -1.57 0.00 0.00 179.24 178.52 1gfj h ALA 92 N 1.10 0.98 -0.52 3.45 0.00 -1.54 -0.94 119.26 121.80 1gfj h ALA 92 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1gfj h ALA 92 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1gfj h ALA 92 CO 0.06 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.25 1gfj h VAL 93 N 1.04 1.26 -0.92 0.00 2.07 -0.51 0.13 116.25 119.32 1gfj h VAL 93 Ca 0.22 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1gfj h VAL 93 Cb 0.38 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1gfj h VAL 93 CO 0.00 0.38 0.60 0.00 0.02 0.00 0.00 177.57 178.58 1gfj h ALA 94 N 0.94 1.17 -0.28 1.67 0.00 -0.85 -0.11 119.26 121.81 1gfj h ALA 94 Ca 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1gfj h ALA 94 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gfj h ALA 94 CO 0.03 0.58 -0.53 0.00 0.00 0.00 0.00 179.25 179.33 1gfj h ALA 96 N 0.67 1.35 -0.76 0.00 0.00 -0.24 -0.11 119.26 120.17 1gfj h ALA 96 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1gfj h ALA 96 Cb 1.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1gfj h ALA 96 CO 0.12 0.52 0.26 0.87 0.00 0.00 0.00 179.25 181.02 1gfj h LYS 97 N 0.92 1.16 -0.51 0.00 1.57 -0.93 -2.07 116.57 116.70 1gfj h LYS 97 Ca 0.23 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1gfj h LYS 97 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1gfj h LYS 97 CO -0.03 0.96 0.24 -0.09 -0.57 0.00 0.00 179.45 179.96 1gfj h ARG 98 N 1.12 0.74 -0.37 3.15 9.65 -0.61 -2.48 114.38 125.59 1gfj h ARG 98 Ca 0.25 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1gfj h ARG 98 Cb 0.27 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 1gfj h ARG 98 CO -0.01 0.62 0.14 0.28 2.80 0.00 0.00 179.97 183.81 1gfj h VAL 99 N 0.68 0.92 0.00 0.20 2.07 -0.60 -2.30 116.25 117.22 1gfj h VAL 99 Ca 0.17 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1gfj h VAL 99 Cb 0.13 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1gfj h VAL 99 CO -0.02 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1gfj n VAL 100 N -4.99 0.48 0.54 2.57 0.24 -0.82 -2.56 118.33 113.79 1gfj n VAL 100 Ca 0.01 0.12 0.11 0.00 -2.04 0.00 0.00 64.34 62.55 1gfj n VAL 100 Cb 0.12 -0.74 0.45 0.00 -1.47 0.00 0.00 33.84 32.19 1gfj n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gfj n ARG 101 N -1.49 0.14 -1.77 7.34 1.74 -0.87 -4.02 116.66 117.74 1gfj n ARG 101 Ca 0.05 0.29 -0.29 0.00 -0.77 0.00 0.00 57.85 57.14 1gfj n ARG 101 Cb 0.25 -1.73 0.13 0.00 -1.02 0.00 0.00 32.46 30.09 1gfj n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gfj s ASP 102 N -3.89 3.83 0.22 0.55 -0.00 -1.06 -4.95 116.67 111.37 1gfj s ASP 102 Ca 0.07 0.74 -0.15 0.00 -0.00 0.00 0.00 52.55 53.21 1gfj s ASP 102 Cb 0.11 -1.17 0.25 0.00 -0.00 0.00 0.00 42.92 42.11 1gfj s ASP 102 CO 0.42 -2.33 1.58 -0.65 -0.00 0.00 0.00 175.17 174.20 1gfj h PRO 103 N -1.35 -0.05 0.00 8.23 0.11 -1.88 -2.37 132.00 134.69 1gfj h PRO 103 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1gfj h PRO 103 Cb 1.31 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1gfj h PRO 103 CO 0.59 -0.04 -0.11 1.96 -0.21 0.00 0.00 178.00 180.19 1gfj h GLN 104 N -0.06 0.00 0.00 1.05 4.20 -1.91 -3.49 115.11 114.91 1gfj h GLN 104 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1gfj h GLN 104 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1gfj h GLN 104 CO -0.81 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 177.87 1gfj n GLY 105 N -0.30 2.25 0.31 3.46 0.00 -0.89 -2.06 105.19 107.96 1gfj n GLY 105 Ca -0.01 -0.51 0.19 0.00 0.00 0.00 0.00 46.02 45.69 1gfj n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfj h ILE 106 N 0.00 0.22 0.00 -0.61 6.09 -1.92 -1.92 117.51 119.36 1gfj h ILE 106 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1gfj h ILE 106 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1gfj h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1gfj n ARG 107 N -3.36 0.03 -0.15 2.19 1.74 -0.87 -2.96 116.66 113.27 1gfj n ARG 107 Ca -0.02 0.38 0.18 0.00 -0.77 0.00 0.00 57.85 57.62 1gfj n ARG 107 Cb 0.13 -1.56 0.56 0.00 -1.02 0.00 0.00 32.46 30.56 1gfj n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfj h ALA 108 N 2.27 2.27 -2.57 7.54 0.00 -1.51 -3.38 119.26 123.88 1gfj h ALA 108 Ca 0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1gfj h ALA 108 Cb 0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.79 1gfj h ALA 108 CO 0.00 -0.49 -0.03 -1.58 0.00 0.00 0.00 179.25 177.15 1gfj s TRP 109 N -5.30 3.25 0.40 0.00 0.51 -1.16 -4.95 118.94 111.70 1gfj s TRP 109 Ca -0.07 0.56 0.07 0.00 -2.12 0.00 0.00 56.10 54.54 1gfj s TRP 109 Cb 0.21 -2.75 0.83 0.00 -0.81 0.00 0.00 33.47 30.95 1gfj s TRP 109 CO 0.76 -0.32 2.01 0.28 -0.51 0.00 0.00 176.95 179.18 1gfj h VAL 110 N 5.43 1.12 -0.71 4.03 2.07 -1.91 -1.56 116.25 124.74 1gfj h VAL 110 Ca -0.29 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1gfj h VAL 110 Cb 1.14 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1gfj h VAL 110 CO 0.72 0.14 0.47 0.00 0.02 0.00 0.00 177.57 178.92 1gfj h ALA 111 N 1.70 1.50 -0.29 1.67 0.00 -1.94 0.07 119.26 121.97 1gfj h ALA 111 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1gfj h ALA 111 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1gfj h ALA 111 CO -0.02 0.47 0.11 2.35 0.00 0.00 0.00 179.25 182.16 1gfj h TRP 112 N 0.96 0.45 -0.35 0.00 7.01 -1.61 0.12 115.95 122.54 1gfj h TRP 112 Ca 0.26 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1gfj h TRP 112 Cb -0.11 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 1gfj h TRP 112 CO -0.00 0.46 0.14 0.00 -2.79 0.00 0.00 178.44 176.25 1gfj h ARG 113 N 0.32 0.29 -0.17 2.65 3.08 -1.15 0.32 114.38 119.73 1gfj h ARG 113 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1gfj h ARG 113 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1gfj h ARG 113 CO -0.01 0.19 0.04 -0.91 -1.07 0.00 0.00 179.97 178.21 1gfj h ASN 114 N 0.30 0.26 -0.00 7.04 2.35 -0.70 -3.33 115.58 121.49 1gfj h ASN 114 Ca 0.15 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1gfj h ASN 114 Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1gfj h ASN 114 CO -0.14 0.43 -0.52 0.54 -1.65 0.00 0.00 177.43 176.08 1gfj n ARG 115 N -4.80 2.65 0.00 0.81 5.12 0.39 -4.83 116.66 116.01 1gfj n ARG 115 Ca -0.05 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 1gfj n ARG 115 Cb 0.17 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1gfj n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gfj s GLN 117 N -1.81 4.14 -1.52 0.00 0.74 -0.19 -2.11 119.66 118.91 1gfj s GLN 117 Ca 0.00 2.58 -0.06 0.00 0.05 0.00 0.00 55.36 57.94 1gfj s GLN 117 Cb 0.00 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1gfj s GLN 117 CO 0.00 -0.80 0.61 0.09 -0.55 0.00 0.00 175.29 174.65 1gfj n ASN 118 N 4.98 -5.79 -4.57 6.67 5.03 -1.26 -4.94 115.26 115.37 1gfj n ASN 118 Ca 0.17 -0.31 -0.26 0.00 0.87 0.00 0.00 54.58 55.05 1gfj n ASN 118 Cb 0.37 -4.68 -0.10 0.00 -1.02 0.00 0.00 39.78 34.35 1gfj n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfj s ARG 119 N -5.77 1.89 -0.61 3.52 1.81 -0.90 -5.08 118.95 113.81 1gfj s ARG 119 Ca 0.33 -1.91 -0.22 0.00 -1.72 0.00 0.00 55.73 52.20 1gfj s ARG 119 Cb -0.15 -1.75 0.06 0.00 -0.45 0.00 0.00 34.95 32.66 1gfj s ARG 119 CO 0.41 0.12 0.90 0.34 -0.68 0.00 0.00 175.30 176.38 1gfj s ASP 120 N -3.65 6.22 -0.03 0.23 -1.08 -1.26 -4.87 116.67 112.24 1gfj s ASP 120 Ca 0.33 -0.85 0.21 0.00 -0.52 0.00 0.00 52.55 51.72 1gfj s ASP 120 Cb 0.03 -2.40 0.66 0.00 -1.46 0.00 0.00 42.92 39.74 1gfj s ASP 120 CO 0.17 -1.30 1.55 1.33 0.52 0.00 0.00 175.17 177.45 1gfj n VAL 121 N 5.93 1.19 -0.33 1.11 0.24 -1.26 -4.55 118.33 120.65 1gfj n VAL 121 Ca -0.03 -1.05 0.03 0.00 -2.04 0.00 0.00 64.34 61.25 1gfj n VAL 121 Cb 0.46 0.42 0.18 0.00 -1.47 0.00 0.00 33.84 33.42 1gfj n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfj h ARG 122 N 4.18 0.95 -0.09 7.34 3.08 -1.93 -2.12 114.38 125.79 1gfj h ARG 122 Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1gfj h ARG 122 Cb 1.09 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1gfj h ARG 122 CO 0.05 0.63 0.26 -0.56 -1.07 0.00 0.00 179.97 179.28 1gfj h GLN 123 N 0.97 0.00 0.00 0.04 3.07 -1.97 -1.88 115.11 115.35 1gfj h GLN 123 Ca 0.42 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.08 1gfj h GLN 123 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 1gfj h GLN 123 CO -0.22 0.00 -0.39 1.88 0.09 0.00 0.00 178.83 180.19 1gfj h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.73 -3.28 116.97 112.07 1gfj h TYR 124 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gfj h TYR 124 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1gfj h TYR 124 CO 0.00 0.39 -0.01 1.33 -1.05 0.00 0.00 178.16 178.82 1gfj n VAL 125 N -3.69 0.00 -1.89 -2.88 0.24 -0.73 -4.81 118.33 104.57 1gfj n VAL 125 Ca -0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1gfj n VAL 125 Cb 0.48 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 1gfj n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfj s GLN 126 N -0.36 4.19 0.00 7.34 -1.52 -1.04 -2.25 119.66 126.02 1gfj s GLN 126 Ca 0.04 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.88 1gfj s GLN 126 Cb 0.03 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1gfj s GLN 126 CO 0.05 -0.59 0.00 0.41 -0.25 0.00 0.00 175.29 174.91 1gfj n GLY 127 N 3.03 0.84 0.39 3.09 0.00 -1.26 -4.89 105.19 106.39 1gfj n GLY 127 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1gfj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfj n GLY 129 N 1.22 0.34 0.53 0.00 0.00 -1.26 -4.78 105.19 101.25 1gfj n GLY 129 Ca 0.17 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.83 1gfj n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65