#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfa s ASP 2 N 0.00 5.87 0.34 -5.58 -0.00 -1.26 -1.44 116.67 114.60 1gfa s ASP 2 Ca 0.00 0.02 -0.16 0.00 -0.00 0.00 0.00 52.55 52.40 1gfa s ASP 2 Cb 0.00 -2.07 -0.09 0.00 -0.00 0.00 0.00 42.92 40.76 1gfa s ASP 2 CO 0.00 0.02 0.77 -0.36 -0.00 0.00 0.00 175.17 175.61 1gfa s PHE 3 N 1.31 3.37 0.28 4.23 0.08 -0.06 -5.01 117.98 122.18 1gfa s PHE 3 Ca 0.07 1.29 -0.13 0.00 0.12 0.00 0.00 56.93 58.28 1gfa s PHE 3 Cb -0.14 -2.59 -0.08 0.00 -0.57 0.00 0.00 43.02 39.63 1gfa s PHE 3 CO 0.06 0.07 0.66 -1.21 -0.10 0.00 0.00 175.22 174.70 1gfa s GLU 4 N -2.99 3.93 0.05 0.44 2.02 -1.26 -4.87 118.70 116.02 1gfa s GLU 4 Ca 0.55 0.52 -0.12 0.00 0.02 0.00 0.00 54.97 55.95 1gfa s GLU 4 Cb -0.10 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 1gfa s GLU 4 CO 0.17 0.23 1.20 -0.09 0.02 0.00 0.00 175.26 176.78 1gfa h ARG 5 N 2.41 -0.08 -0.10 1.61 2.43 -1.97 -0.78 114.38 117.91 1gfa h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1gfa h ARG 5 Cb 1.17 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1gfa h ARG 5 CO 0.67 -0.06 -0.15 0.00 -1.51 0.00 0.00 179.97 178.92 1gfa h GLU 7 N 0.15 0.37 -0.42 0.00 4.81 -1.85 -1.68 114.58 115.97 1gfa h GLU 7 Ca 0.03 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1gfa h GLU 7 Cb 0.36 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1gfa h GLU 7 CO 0.02 0.25 0.00 1.25 -0.73 0.00 0.00 179.01 179.81 1gfa h LEU 8 N 0.39 0.72 -0.89 1.64 5.85 -0.40 -1.74 115.31 120.88 1gfa h LEU 8 Ca 0.11 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1gfa h LEU 8 Cb -0.04 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 1gfa h LEU 8 CO -0.03 0.85 0.55 0.00 -0.34 0.00 0.00 178.44 179.46 1gfa h ALA 9 N 0.90 1.26 -0.32 1.25 0.00 -0.97 0.14 119.26 121.52 1gfa h ALA 9 Ca 0.12 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1gfa h ALA 9 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gfa h ALA 9 CO 0.02 0.24 -0.48 0.00 0.00 0.00 0.00 179.25 179.03 1gfa h ARG 10 N 0.95 0.88 -0.29 0.00 3.08 -1.17 -1.86 114.38 115.96 1gfa h ARG 10 Ca 0.41 -0.53 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1gfa h ARG 10 Cb 0.28 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1gfa h ARG 10 CO -0.21 1.17 0.15 1.15 -1.07 0.00 0.00 179.97 181.16 1gfa h THR 11 N 0.67 1.01 -0.75 2.04 2.02 -0.54 0.41 112.91 117.77 1gfa h THR 11 Ca 0.03 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1gfa h THR 11 Cb 1.08 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1gfa h THR 11 CO 0.11 0.06 0.30 -0.07 0.37 0.00 0.00 175.52 176.29 1gfa h LEU 12 N 0.32 1.03 -0.37 2.58 3.38 -0.70 -1.39 115.31 120.15 1gfa h LEU 12 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gfa h LEU 12 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1gfa h LEU 12 CO -0.07 0.92 0.17 0.50 0.09 0.00 0.00 178.44 180.05 1gfa h LYS 13 N 1.08 0.55 -0.14 1.13 3.64 -0.97 -1.98 116.57 119.88 1gfa h LYS 13 Ca 0.25 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1gfa h LYS 13 Cb 0.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1gfa h LYS 13 CO -0.02 0.50 0.03 0.00 -2.27 0.00 0.00 179.45 177.69 1gfa h ARG 14 N 0.46 0.19 -0.07 1.90 3.08 -0.57 -1.09 114.38 118.29 1gfa h ARG 14 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1gfa h ARG 14 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1gfa h ARG 14 CO -0.01 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 1gfa n LEU 15 N -4.45 0.59 -0.04 3.04 4.77 -0.56 -4.92 117.00 115.43 1gfa n LEU 15 Ca -0.01 -0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1gfa n LEU 15 Cb 0.13 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gfa n LEU 15 CO 0.35 0.13 -0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1gfa n GLY 16 N 0.87 0.37 0.15 -0.72 0.00 -0.41 -4.98 105.19 100.48 1gfa n GLY 16 Ca 0.13 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1gfa n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfa h MET 17 N 0.00 0.00 -6.16 1.61 2.86 -1.55 -3.41 114.93 108.29 1gfa h MET 17 Ca -0.01 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1gfa h MET 17 Cb 0.67 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1gfa h MET 17 CO 0.01 0.00 1.30 0.34 1.06 0.00 0.00 176.91 179.63 1gfa s ASP 18 N -5.44 5.65 0.00 1.22 2.15 -1.26 -1.88 116.67 117.12 1gfa s ASP 18 Ca 0.04 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1gfa s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1gfa s ASP 18 CO 0.71 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.36 1gfa n GLY 19 N 5.52 0.58 3.66 2.66 0.00 0.03 -4.90 105.19 112.74 1gfa n GLY 19 Ca 0.22 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1gfa n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gfa s TYR 20 N -2.00 1.54 -1.46 1.61 5.04 -0.79 -1.07 117.35 120.23 1gfa s TYR 20 Ca 0.00 -0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.27 1gfa s TYR 20 Cb 0.00 -4.16 0.07 0.00 0.35 0.00 0.00 41.96 38.22 1gfa s TYR 20 CO 0.00 -5.08 0.77 0.54 -1.34 0.00 0.00 175.55 170.43 1gfa n ARG 21 N 7.23 -4.79 -0.99 4.97 5.12 -1.26 -1.56 116.66 125.38 1gfa n ARG 21 Ca 0.19 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1gfa n ARG 21 Cb 0.41 -5.45 0.00 0.00 -1.16 0.00 0.00 32.46 26.26 1gfa n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfa n GLY 22 N -1.50 0.48 3.55 -0.13 0.00 -0.23 -5.00 105.19 102.36 1gfa n GLY 22 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gfa n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfa s ILE 23 N -2.09 5.26 0.72 -0.61 1.01 -0.60 -4.90 121.20 120.00 1gfa s ILE 23 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 1gfa s ILE 23 Cb 0.00 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1gfa s ILE 23 CO 0.00 0.05 1.15 -0.94 0.00 0.00 0.00 174.94 175.21 1gfa s SER 24 N 1.73 4.45 0.27 3.58 1.04 -1.26 -0.79 113.70 122.72 1gfa s SER 24 Ca 0.08 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.64 1gfa s SER 24 Cb -0.17 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 63.78 1gfa s SER 24 CO 0.11 -2.08 1.91 0.25 0.98 0.00 0.00 173.24 174.41 1gfa h LEU 25 N -0.38 1.04 -1.53 2.42 5.85 -1.91 -1.14 115.31 119.67 1gfa h LEU 25 Ca -0.47 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1gfa h LEU 25 Cb 1.27 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1gfa h LEU 25 CO 0.51 0.70 0.41 0.00 -0.34 0.00 0.00 178.44 179.72 1gfa h ALA 26 N 1.44 1.85 -0.28 1.25 0.00 -1.91 -0.02 119.26 121.59 1gfa h ALA 26 Ca 0.40 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1gfa h ALA 26 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gfa h ALA 26 CO -0.14 0.04 -0.33 -0.91 0.00 0.00 0.00 179.25 177.92 1gfa h ASN 27 N 0.56 0.78 -0.63 0.00 2.35 -1.52 -1.51 115.58 115.62 1gfa h ASN 27 Ca 0.27 -0.49 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1gfa h ASN 27 Cb 0.35 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1gfa h ASN 27 CO -0.08 1.11 0.32 -0.50 -1.65 0.00 0.00 177.43 176.62 1gfa h TRP 28 N 0.47 0.90 -0.07 1.19 -0.00 -1.07 -0.50 115.95 116.87 1gfa h TRP 28 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1gfa h TRP 28 Cb 0.91 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.78 1gfa h TRP 28 CO 0.07 0.67 0.05 0.52 -0.00 0.00 0.00 178.44 179.75 1gfa h MET 29 N 0.86 0.10 -1.00 0.49 2.86 -0.94 -0.81 114.93 116.49 1gfa h MET 29 Ca 0.22 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1gfa h MET 29 Cb 0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1gfa h MET 29 CO -0.03 0.08 0.66 0.00 1.06 0.00 0.00 176.91 178.68 1gfa h LEU 31 N 1.32 -0.17 -0.92 0.00 5.85 -0.74 -2.17 115.31 118.47 1gfa h LEU 31 Ca 0.38 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1gfa h LEU 31 Cb -0.08 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1gfa h LEU 31 CO -0.10 -0.06 0.55 0.00 -0.34 0.00 0.00 178.44 178.49 1gfa h ALA 32 N 0.57 1.17 0.02 1.25 0.00 -0.71 -0.43 119.26 121.13 1gfa h ALA 32 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gfa h ALA 32 Cb 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1gfa h ALA 32 CO 0.03 0.64 -0.09 -0.22 0.00 0.00 0.00 179.25 179.61 1gfa h LYS 33 N 1.27 -0.15 0.00 0.00 1.63 -0.98 -1.58 116.57 116.76 1gfa h LYS 33 Ca 0.33 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.08 1gfa h LYS 33 Cb -0.05 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1gfa h LYS 33 CO -0.06 -0.10 -0.27 -1.49 -3.45 0.00 0.00 179.45 174.08 1gfa h TRP 34 N -0.16 0.00 0.21 1.91 4.06 -1.20 0.63 115.95 121.40 1gfa h TRP 34 Ca 0.03 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.67 1gfa h TRP 34 Cb 0.19 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.38 1gfa h TRP 34 CO -0.14 0.27 -1.38 0.93 -3.56 0.00 0.00 178.44 174.56 1gfa h GLU 35 N 0.00 0.45 0.00 0.49 4.39 -1.03 -3.44 114.58 115.44 1gfa h GLU 35 Ca -0.00 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1gfa h GLU 35 Cb 1.13 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1gfa h GLU 35 CO 0.03 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 1gfa n SER 36 N -3.80 0.00 -1.61 1.42 3.41 -0.63 -4.83 113.62 107.57 1gfa n SER 36 Ca -0.18 -0.96 -0.13 0.00 -0.26 0.00 0.00 58.87 57.33 1gfa n SER 36 Cb 1.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1gfa n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfa n GLY 37 N 0.00 -0.15 2.30 5.00 0.00 0.21 -2.50 105.19 110.05 1gfa n GLY 37 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1gfa n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfa n TYR 38 N -4.02 -0.64 -4.00 1.61 0.53 -1.13 -4.75 117.16 104.76 1gfa n TYR 38 Ca -0.14 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.39 1gfa n TYR 38 Cb 0.61 -3.08 -0.12 0.00 -1.03 0.00 0.00 39.34 35.73 1gfa n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfa s ASN 39 N -2.38 5.17 0.47 7.72 2.47 -1.04 -0.88 114.94 126.47 1gfa s ASN 39 Ca 0.00 -0.11 0.27 0.00 0.42 0.00 0.00 52.86 53.44 1gfa s ASN 39 Cb 0.00 -1.90 0.88 0.00 -1.45 0.00 0.00 41.25 38.78 1gfa s ASN 39 CO 0.00 0.08 1.80 0.71 -3.72 0.00 0.00 177.10 175.97 1gfa h THR 40 N 5.25 0.25 -0.02 -5.21 1.35 -1.57 -3.14 112.91 109.82 1gfa h THR 40 Ca -0.36 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1gfa h THR 40 Cb 1.18 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1gfa h THR 40 CO 0.63 0.11 -0.11 0.54 -0.25 0.00 0.00 175.52 176.44 1gfa n ARG 41 N -3.20 1.51 -1.85 4.72 1.74 -1.26 -4.01 116.66 114.32 1gfa n ARG 41 Ca 0.01 -1.00 -0.41 0.00 -0.77 0.00 0.00 57.85 55.68 1gfa n ARG 41 Cb 0.43 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1gfa n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfa s ALA 42 N -2.18 3.62 -0.00 7.54 0.00 -1.23 -4.79 121.76 124.72 1gfa s ALA 42 Ca 0.31 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 1gfa s ALA 42 Cb 0.20 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1gfa s ALA 42 CO 0.40 -0.97 0.03 0.95 0.00 0.00 0.00 175.76 176.17 1gfa s THR 43 N -0.72 0.04 -0.07 0.00 -4.23 -1.26 -1.07 115.64 108.33 1gfa s THR 43 Ca 0.56 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1gfa s THR 43 Cb -0.46 -0.15 0.03 0.00 1.34 0.00 0.00 72.50 73.26 1gfa s THR 43 CO 0.56 -0.16 -0.01 0.21 -0.54 0.00 0.00 174.62 174.67 1gfa s ASN 44 N -0.49 1.52 -0.06 3.99 2.47 -0.26 -4.95 114.94 117.16 1gfa s ASN 44 Ca -0.05 -0.11 -0.18 0.00 0.42 0.00 0.00 52.86 52.93 1gfa s ASN 44 Cb -0.03 -0.48 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 1gfa s ASN 44 CO -0.00 -0.16 0.50 -0.47 -3.72 0.00 0.00 177.10 173.24 1gfa s TYR 45 N 1.76 3.61 -0.51 0.43 6.14 -1.26 -0.46 117.35 127.07 1gfa s TYR 45 Ca 0.02 1.01 -0.10 0.00 0.64 0.00 0.00 57.07 58.64 1gfa s TYR 45 Cb -0.13 -2.51 0.13 0.00 0.42 0.00 0.00 41.96 39.87 1gfa s TYR 45 CO -0.05 0.33 0.39 -0.80 0.64 0.00 0.00 175.55 176.06 1gfa s ASN 46 N 0.00 5.78 0.59 4.32 0.01 0.03 -4.95 114.94 120.72 1gfa s ASN 46 Ca 0.27 -2.00 0.30 0.00 -0.71 0.00 0.00 52.86 50.72 1gfa s ASN 46 Cb -0.16 -2.03 1.83 0.00 0.41 0.00 0.00 41.25 41.29 1gfa s ASN 46 CO 0.13 -0.68 2.25 0.00 -1.51 0.00 0.00 177.10 177.29 1gfa h ALA 47 N 8.37 1.48 0.68 0.60 0.00 -1.96 -1.43 119.26 127.00 1gfa h ALA 47 Ca -0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1gfa h ALA 47 Cb 1.07 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1gfa h ALA 47 CO 0.86 0.01 -0.33 0.78 0.00 0.00 0.00 179.25 180.58 1gfa h GLY 48 N 0.07 -0.96 -1.84 0.00 0.00 -1.94 -3.31 103.07 95.09 1gfa h GLY 48 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1gfa h GLY 48 CO 0.00 -0.35 0.00 2.09 0.00 0.00 0.00 176.54 178.28 1gfa n ASP 49 N -5.46 3.79 -2.86 0.19 5.75 -1.20 -4.99 116.55 111.78 1gfa n ASP 49 Ca -0.13 -2.55 -0.21 0.00 -0.01 0.00 0.00 54.79 51.89 1gfa n ASP 49 Cb 0.38 -0.45 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1gfa n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfa n ARG 50 N 0.20 -3.59 -4.01 0.11 1.74 -0.55 -4.74 116.66 105.82 1gfa n ARG 50 Ca 0.19 0.82 -0.24 0.00 -0.77 0.00 0.00 57.85 57.86 1gfa n ARG 50 Cb 0.74 -5.59 -0.06 0.00 -1.02 0.00 0.00 32.46 26.53 1gfa n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfa s SER 51 N -2.47 4.58 0.00 0.55 1.04 -1.16 -4.38 113.70 111.86 1gfa s SER 51 Ca 0.21 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1gfa s SER 51 Cb -0.10 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 1gfa s SER 51 CO 0.26 -0.54 -0.07 -0.89 0.98 0.00 0.00 173.24 172.98 1gfa s THR 52 N -2.56 0.54 -0.16 2.02 2.01 -1.26 -0.79 115.64 115.44 1gfa s THR 52 Ca 0.42 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1gfa s THR 52 Cb 0.02 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1gfa s THR 52 CO 0.24 0.06 0.17 -1.81 -0.69 0.00 0.00 174.62 172.59 1gfa s ASP 53 N -0.41 6.32 -0.00 3.53 1.01 0.39 -1.35 116.67 126.17 1gfa s ASP 53 Ca 0.01 0.37 0.07 0.00 0.71 0.00 0.00 52.55 53.71 1gfa s ASP 53 Cb -0.04 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1gfa s ASP 53 CO -0.00 0.23 -0.21 -0.31 0.21 0.00 0.00 175.17 175.09 1gfa s TYR 54 N -0.05 1.89 0.00 4.23 2.02 -0.05 -1.11 117.35 124.29 1gfa s TYR 54 Ca 0.12 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1gfa s TYR 54 Cb -0.12 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1gfa s TYR 54 CO 0.01 0.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1gfa n GLY 55 N 2.38 -1.66 0.33 0.71 0.00 -0.23 -1.61 105.19 105.10 1gfa n GLY 55 Ca -0.16 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1gfa n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfa h ILE 56 N 0.00 0.87 -0.13 -0.61 2.10 -1.68 -1.51 117.51 116.56 1gfa h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1gfa h ILE 56 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 1gfa h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1gfa n PHE 57 N -4.46 0.15 -3.79 2.19 0.99 -1.26 -4.01 117.46 107.27 1gfa n PHE 57 Ca 0.04 -0.10 -0.32 0.00 -0.00 0.00 0.00 57.45 57.08 1gfa n PHE 57 Cb 0.35 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.86 1gfa n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfa n GLN 58 N 1.09 -1.59 -2.69 -1.08 1.13 -0.57 -4.90 117.38 108.77 1gfa n GLN 58 Ca 0.13 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 1gfa n GLN 58 Cb 0.49 -4.03 -0.03 0.00 0.11 0.00 0.00 30.24 26.78 1gfa n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfa s ILE 59 N -3.59 4.74 0.06 5.09 1.01 -0.64 -4.37 121.20 123.51 1gfa s ILE 59 Ca 0.37 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.73 1gfa s ILE 59 Cb -0.14 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1gfa s ILE 59 CO 0.88 0.18 0.95 0.21 0.00 0.00 0.00 174.94 177.16 1gfa s ASN 60 N 0.86 7.42 0.48 3.58 3.84 -1.26 -0.87 114.94 128.99 1gfa s ASN 60 Ca 0.52 1.71 0.32 0.00 0.21 0.00 0.00 52.86 55.62 1gfa s ASN 60 Cb -0.22 -2.57 1.45 0.00 -0.55 0.00 0.00 41.25 39.36 1gfa s ASN 60 CO 0.28 -0.13 1.96 0.77 -2.79 0.00 0.00 177.10 177.19 1gfa h SER 61 N 6.04 0.00 0.16 -4.21 4.64 -1.46 -1.63 113.55 117.09 1gfa h SER 61 Ca -0.42 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 1gfa h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gfa h SER 61 CO 0.73 0.00 -0.25 -0.09 -0.87 0.00 0.00 176.83 176.35 1gfa h ARG 62 N 0.00 0.16 0.00 4.77 2.43 -1.84 -3.40 114.38 116.51 1gfa h ARG 62 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1gfa h ARG 62 Cb 0.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gfa h ARG 62 CO 0.00 0.41 -0.94 0.66 -1.51 0.00 0.00 179.97 178.59 1gfa n TYR 63 N -4.18 0.00 -0.08 2.20 4.01 -1.12 -0.35 117.16 117.64 1gfa n TYR 63 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1gfa n TYR 63 Cb 0.34 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.22 1gfa n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfa n TRP 64 N -2.22 0.22 -3.97 -0.72 7.02 -0.63 -0.82 117.44 116.32 1gfa n TRP 64 Ca 0.00 0.08 -0.08 0.00 -1.02 0.00 0.00 57.50 56.48 1gfa n TRP 64 Cb 0.47 -1.02 -0.09 0.00 -2.42 0.00 0.00 31.31 28.25 1gfa n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfa s ASN 66 N -2.83 5.89 0.00 0.00 2.47 -0.52 -4.57 114.94 115.38 1gfa s ASN 66 Ca 0.05 0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.38 1gfa s ASN 66 Cb 0.06 -2.07 0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1gfa s ASN 66 CO -0.10 0.04 0.69 -0.90 -3.72 0.00 0.00 177.10 173.10 1gfa n ASP 67 N 4.48 1.42 0.00 -4.21 5.68 -1.26 -1.58 116.55 121.07 1gfa n ASP 67 Ca -0.15 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1gfa n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1gfa n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gfa n GLY 68 N 0.01 0.35 0.04 6.12 0.00 -1.26 -4.78 105.19 105.68 1gfa n GLY 68 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1gfa n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfa n LYS 69 N -2.00 1.89 -3.65 1.61 2.85 -1.26 -4.98 118.16 112.62 1gfa n LYS 69 Ca 0.00 -1.45 -0.39 0.00 -1.05 0.00 0.00 58.31 55.42 1gfa n LYS 69 Cb 0.00 -0.95 -0.12 0.00 -0.65 0.00 0.00 35.03 33.31 1gfa n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfa s THR 70 N -1.06 4.60 0.11 0.58 2.01 -1.26 -4.92 115.64 115.70 1gfa s THR 70 Ca 0.06 -0.49 -0.34 0.00 0.31 0.00 0.00 61.69 61.23 1gfa s THR 70 Cb 0.05 -3.38 -0.13 0.00 0.01 0.00 0.00 72.50 69.05 1gfa s THR 70 CO 0.01 0.02 1.66 -2.65 -0.69 0.00 0.00 174.62 172.96 1gfa n PRO 71 N 4.98 2.22 -1.76 4.92 -0.02 -1.26 -2.53 135.00 141.55 1gfa n PRO 71 Ca -0.13 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 1gfa n PRO 71 Cb 0.49 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 1gfa n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfa n GLY 72 N 3.69 1.41 3.78 -1.23 0.00 -1.26 -4.98 105.19 106.59 1gfa n GLY 72 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1gfa n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfa s ALA 73 N -2.78 2.01 0.46 4.61 0.00 -1.05 -5.06 121.76 119.96 1gfa s ALA 73 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1gfa s ALA 73 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1gfa s ALA 73 CO 0.00 -1.94 0.04 0.14 0.00 0.00 0.00 175.76 173.99 1gfa s VAL 74 N -3.09 1.16 -0.40 0.00 -7.23 0.53 -5.00 120.40 106.36 1gfa s VAL 74 Ca 0.62 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 1gfa s VAL 74 Cb -0.16 -2.38 0.24 0.00 0.56 0.00 0.00 36.38 34.64 1gfa s VAL 74 CO 0.55 0.00 0.50 -3.20 -0.31 0.00 0.00 175.10 172.64 1gfa n ASN 75 N -1.19 0.19 0.24 4.85 5.15 -1.23 -3.98 115.26 119.30 1gfa n ASN 75 Ca -0.13 -2.66 0.08 0.00 -0.60 0.00 0.00 54.58 51.27 1gfa n ASN 75 Cb 0.66 -0.63 0.61 0.00 -0.53 0.00 0.00 39.78 39.90 1gfa n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfa h ALA 76 N 4.30 1.57 -0.00 5.20 0.00 -1.01 -1.73 119.26 127.59 1gfa h ALA 76 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gfa h ALA 76 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gfa h ALA 76 CO 0.46 0.18 -0.28 0.00 0.00 0.00 0.00 179.25 179.61 1gfa n HIS 78 N -1.23 -1.95 -3.90 0.00 -0.00 -0.65 -4.98 115.22 102.52 1gfa n HIS 78 Ca 0.09 0.53 -0.10 0.00 -0.00 0.00 0.00 57.72 58.23 1gfa n HIS 78 Cb 0.33 -3.58 -0.10 0.00 -0.00 0.00 0.00 29.99 26.64 1gfa n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfa s LEU 79 N -6.41 1.71 0.32 2.41 1.43 -1.26 -5.08 118.68 111.79 1gfa s LEU 79 Ca 0.42 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 1gfa s LEU 79 Cb -0.14 0.61 -0.09 0.00 0.03 0.00 0.00 46.19 46.59 1gfa s LEU 79 CO 0.85 -0.43 1.02 -0.55 0.23 0.00 0.00 176.35 177.47 1gfa s SER 80 N -1.72 7.19 0.63 2.29 0.15 -1.26 -1.44 113.70 119.54 1gfa s SER 80 Ca -0.11 2.04 0.37 0.00 0.70 0.00 0.00 55.95 58.96 1gfa s SER 80 Cb -0.05 -2.60 2.11 0.00 -1.71 0.00 0.00 66.02 63.77 1gfa s SER 80 CO -0.01 -0.18 2.31 0.00 1.20 0.00 0.00 173.24 176.56 1gfa h SER 82 N 0.00 0.47 0.18 0.00 0.87 -1.90 -0.55 113.55 112.62 1gfa h SER 82 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1gfa h SER 82 Cb 0.01 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1gfa h SER 82 CO 0.00 0.29 -0.00 0.00 -0.53 0.00 0.00 176.83 176.59 1gfa h ALA 83 N 1.68 1.03 -0.30 6.23 0.00 -1.55 -0.83 119.26 125.52 1gfa h ALA 83 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1gfa h ALA 83 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gfa h ALA 83 CO -0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1gfa n LEU 84 N -3.13 2.05 -0.27 0.00 4.77 -0.21 -3.82 117.00 116.39 1gfa n LEU 84 Ca -0.02 -0.94 0.05 0.00 -0.03 0.00 0.00 56.01 55.07 1gfa n LEU 84 Cb 0.11 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1gfa n LEU 84 CO 0.22 0.47 0.58 0.18 -1.33 0.00 0.00 177.39 177.51 1gfa n LEU 85 N 0.59 2.56 -4.86 2.23 4.77 -0.32 -3.10 117.00 118.88 1gfa n LEU 85 Ca 0.15 -2.48 -0.31 0.00 -0.03 0.00 0.00 56.01 53.34 1gfa n LEU 85 Cb 0.36 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1gfa n LEU 85 CO 0.11 0.63 0.61 -1.10 -1.33 0.00 0.00 177.39 176.31 1gfa s GLN 86 N -1.84 3.82 0.23 3.23 -0.21 -1.25 -4.58 119.66 119.06 1gfa s GLN 86 Ca 0.20 0.74 0.01 0.00 0.02 0.00 0.00 55.36 56.34 1gfa s GLN 86 Cb 0.16 -2.21 0.24 0.00 1.00 0.00 0.00 33.01 32.19 1gfa s GLN 86 CO 0.05 -0.25 1.57 -0.44 -2.12 0.00 0.00 175.29 174.10 1gfa h ASP 87 N 0.77 0.44 -3.37 5.90 5.19 -1.94 -3.39 116.42 120.01 1gfa h ASP 87 Ca -0.46 -0.22 -0.57 0.00 -0.62 0.00 0.00 57.03 55.15 1gfa h ASP 87 Cb 1.19 -0.13 -0.07 0.00 0.18 0.00 0.00 39.33 40.50 1gfa h ASP 87 CO 0.62 0.88 0.82 0.21 -3.12 0.00 0.00 179.24 178.65 1gfa s ASN 88 N -6.89 6.87 -0.02 6.45 3.84 -1.26 -4.91 114.94 119.01 1gfa s ASN 88 Ca -0.06 0.94 0.09 0.00 0.21 0.00 0.00 52.86 54.04 1gfa s ASN 88 Cb 0.12 -2.53 0.30 0.00 -0.55 0.00 0.00 41.25 38.59 1gfa s ASN 88 CO 0.81 -0.91 1.19 2.30 -2.79 0.00 0.00 177.10 177.70 1gfa n ILE 89 N 5.97 0.62 -0.07 -5.21 -5.35 -1.26 -4.47 119.36 109.59 1gfa n ILE 89 Ca 0.11 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.05 1gfa n ILE 89 Cb 0.47 0.07 -0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1gfa n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfa h ALA 90 N 3.43 0.01 -0.74 -1.28 0.00 -1.94 0.26 119.26 119.00 1gfa h ALA 90 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1gfa h ALA 90 Cb 0.60 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1gfa h ALA 90 CO 0.05 -0.59 0.38 -0.44 0.00 0.00 0.00 179.25 178.66 1gfa h ASP 91 N -0.16 0.95 -0.65 0.00 3.45 -1.85 -0.53 116.42 117.63 1gfa h ASP 91 Ca 0.15 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 1gfa h ASP 91 Cb 0.40 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.89 1gfa h ASP 91 CO -0.39 0.79 0.32 0.00 -1.57 0.00 0.00 179.24 178.39 1gfa h ALA 92 N 1.19 1.29 -0.35 3.45 0.00 -1.60 -0.98 119.26 122.26 1gfa h ALA 92 Ca 0.26 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1gfa h ALA 92 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1gfa h ALA 92 CO -0.04 0.55 -0.45 0.28 0.00 0.00 0.00 179.25 179.59 1gfa h VAL 93 N 0.95 1.27 -0.90 0.00 2.07 -0.47 0.34 116.25 119.52 1gfa h VAL 93 Ca 0.23 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1gfa h VAL 93 Cb 0.11 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1gfa h VAL 93 CO -0.03 0.54 0.50 0.00 0.02 0.00 0.00 177.57 178.60 1gfa h ALA 94 N 0.75 1.19 -0.31 1.67 0.00 -0.67 -0.52 119.26 121.38 1gfa h ALA 94 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1gfa h ALA 94 Cb 1.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1gfa h ALA 94 CO 0.11 0.66 -0.51 0.00 0.00 0.00 0.00 179.25 179.50 1gfa h ALA 96 N 0.69 1.28 -0.58 0.00 0.00 -0.55 0.75 119.26 120.85 1gfa h ALA 96 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1gfa h ALA 96 Cb 1.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1gfa h ALA 96 CO 0.12 0.50 0.24 0.87 0.00 0.00 0.00 179.25 180.98 1gfa h LYS 97 N 0.69 0.86 -0.77 0.00 1.57 -0.96 -1.98 116.57 115.98 1gfa h LYS 97 Ca 0.15 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1gfa h LYS 97 Cb 0.30 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1gfa h LYS 97 CO 0.00 0.73 0.48 -0.09 -0.57 0.00 0.00 179.45 180.00 1gfa h ARG 98 N 0.79 1.02 -0.35 3.15 9.65 -0.53 -2.18 114.38 125.95 1gfa h ARG 98 Ca 0.19 -0.08 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1gfa h ARG 98 Cb 0.18 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 1gfa h ARG 98 CO -0.02 0.70 0.16 0.28 2.80 0.00 0.00 179.97 183.90 1gfa h VAL 99 N 1.04 0.97 0.00 0.20 2.07 -0.46 -2.43 116.25 117.64 1gfa h VAL 99 Ca 0.28 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gfa h VAL 99 Cb -0.08 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1gfa h VAL 99 CO -0.06 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1gfa n VAL 100 N -4.96 0.41 0.38 2.57 0.24 -0.79 -2.37 118.33 113.81 1gfa n VAL 100 Ca 0.01 0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.55 1gfa n VAL 100 Cb 0.09 -0.71 0.50 0.00 -1.47 0.00 0.00 33.84 32.26 1gfa n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfa h ARG 101 N 0.00 0.00 -7.36 7.34 3.08 -0.88 -3.37 114.38 113.19 1gfa h ARG 101 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1gfa h ARG 101 Cb 0.37 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.51 1gfa h ARG 101 CO 0.00 0.00 0.36 -0.51 -1.07 0.00 0.00 179.97 178.75 1gfa s ASP 102 N -4.97 5.17 0.31 7.04 -0.00 -1.00 -4.95 116.67 118.26 1gfa s ASP 102 Ca 0.05 1.51 0.07 0.00 -0.00 0.00 0.00 52.55 54.17 1gfa s ASP 102 Cb 0.09 -2.35 0.79 0.00 -0.00 0.00 0.00 42.92 41.45 1gfa s ASP 102 CO 0.50 -1.57 1.75 1.55 -0.00 0.00 0.00 175.17 177.41 1gfa h PRO 103 N -0.80 0.63 -0.03 8.23 0.13 -1.88 -2.03 132.00 136.25 1gfa h PRO 103 Ca -0.45 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1gfa h PRO 103 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1gfa h PRO 103 CO 0.58 0.42 -0.10 1.96 -0.23 0.00 0.00 178.00 180.63 1gfa h GLN 104 N 0.65 0.05 0.00 0.86 4.20 -1.90 -3.48 115.11 115.49 1gfa h GLN 104 Ca 0.60 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1gfa h GLN 104 Cb 1.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1gfa h GLN 104 CO -0.43 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.29 1gfa n GLY 105 N -1.18 2.00 0.30 3.46 0.00 -0.77 -2.46 105.19 106.54 1gfa n GLY 105 Ca -0.02 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.63 1gfa n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfa h ILE 106 N 0.00 0.29 0.00 -0.61 6.09 -1.91 -2.14 117.51 119.23 1gfa h ILE 106 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1gfa h ILE 106 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1gfa h ILE 106 CO 0.00 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 175.66 1gfa n ARG 107 N -3.41 0.01 -0.21 2.19 1.74 -1.03 -2.59 116.66 113.36 1gfa n ARG 107 Ca -0.02 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1gfa n ARG 107 Cb 0.17 -1.53 0.44 0.00 -1.02 0.00 0.00 32.46 30.51 1gfa n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfa h ALA 108 N 2.25 1.97 -2.55 7.54 0.00 -1.56 -3.38 119.26 123.54 1gfa h ALA 108 Ca 0.00 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.28 1gfa h ALA 108 Cb 0.14 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 1gfa h ALA 108 CO 0.00 -0.18 -0.10 -1.58 0.00 0.00 0.00 179.25 177.39 1gfa s TRP 109 N -5.54 3.21 0.36 0.00 0.51 -1.07 -4.95 118.94 111.46 1gfa s TRP 109 Ca -0.09 0.31 0.04 0.00 -2.12 0.00 0.00 56.10 54.24 1gfa s TRP 109 Cb 0.21 -2.79 0.70 0.00 -0.81 0.00 0.00 33.47 30.78 1gfa s TRP 109 CO 0.78 -0.41 1.99 0.28 -0.51 0.00 0.00 176.95 179.07 1gfa h VAL 110 N 5.52 1.09 -0.78 4.03 2.07 -1.89 -1.59 116.25 124.70 1gfa h VAL 110 Ca -0.29 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1gfa h VAL 110 Cb 1.14 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1gfa h VAL 110 CO 0.73 0.15 0.51 0.00 0.02 0.00 0.00 177.57 178.97 1gfa h ALA 111 N 1.61 1.70 -0.29 1.67 0.00 -1.94 0.11 119.26 122.12 1gfa h ALA 111 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1gfa h ALA 111 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gfa h ALA 111 CO -0.07 0.17 0.09 2.35 0.00 0.00 0.00 179.25 181.79 1gfa h TRP 112 N 0.79 0.47 -0.94 0.00 7.01 -1.61 0.19 115.95 121.85 1gfa h TRP 112 Ca 0.35 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.31 1gfa h TRP 112 Cb 0.32 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 1gfa h TRP 112 CO -0.00 0.49 0.62 0.00 -2.79 0.00 0.00 178.44 176.76 1gfa h ARG 113 N 0.31 1.22 -0.05 2.65 3.08 -1.11 0.30 114.38 120.78 1gfa h ARG 113 Ca 0.09 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1gfa h ARG 113 Cb 0.24 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1gfa h ARG 113 CO -0.00 0.81 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.56 1gfa h ASN 114 N 1.26 0.29 -0.01 7.04 2.35 -0.63 -3.35 115.58 122.54 1gfa h ASN 114 Ca 0.35 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1gfa h ASN 114 Cb -0.11 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1gfa h ASN 114 CO -0.08 0.91 -0.42 0.54 -1.65 0.00 0.00 177.43 176.73 1gfa n ARG 115 N -4.51 2.27 0.00 0.81 5.12 0.63 -4.79 116.66 116.19 1gfa n ARG 115 Ca -0.09 -0.41 0.00 0.00 -1.93 0.00 0.00 57.85 55.43 1gfa n ARG 115 Cb 0.46 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 1gfa n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gfa s GLN 117 N -1.72 4.32 -1.37 0.00 0.74 0.14 -3.12 119.66 118.66 1gfa s GLN 117 Ca 0.00 2.23 -0.01 0.00 0.05 0.00 0.00 55.36 57.64 1gfa s GLN 117 Cb 0.00 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1gfa s GLN 117 CO 0.00 -0.31 0.55 0.09 -0.55 0.00 0.00 175.29 175.07 1gfa n ASN 118 N 1.81 -0.76 -3.74 6.67 5.03 -1.26 -4.92 115.26 118.08 1gfa n ASN 118 Ca 0.04 -0.92 -0.11 0.00 0.87 0.00 0.00 54.58 54.46 1gfa n ASN 118 Cb 0.41 -3.48 -0.07 0.00 -1.02 0.00 0.00 39.78 35.62 1gfa n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfa s ARG 119 N -6.32 0.86 -0.20 3.52 0.52 -1.18 -5.12 118.95 111.02 1gfa s ARG 119 Ca 0.02 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 1gfa s ARG 119 Cb -0.01 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.82 1gfa s ARG 119 CO 0.86 -0.29 1.29 0.34 0.02 0.00 0.00 175.30 177.52 1gfa s ASP 120 N -2.26 6.84 0.00 0.23 2.15 -1.26 -4.86 116.67 117.51 1gfa s ASP 120 Ca -0.03 1.56 0.10 0.00 0.43 0.00 0.00 52.55 54.61 1gfa s ASP 120 Cb 0.00 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.19 1gfa s ASP 120 CO -0.05 -0.88 0.86 1.33 -0.17 0.00 0.00 175.17 176.26 1gfa n VAL 121 N 5.66 0.14 0.22 1.11 0.24 -1.26 -4.67 118.33 119.76 1gfa n VAL 121 Ca 0.14 -0.57 0.10 0.00 -2.04 0.00 0.00 64.34 61.98 1gfa n VAL 121 Cb 0.45 1.10 0.66 0.00 -1.47 0.00 0.00 33.84 34.59 1gfa n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfa h ARG 122 N 1.86 0.00 -0.05 7.34 3.08 -1.91 -1.71 114.38 123.00 1gfa h ARG 122 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1gfa h ARG 122 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1gfa h ARG 122 CO 0.00 0.00 0.08 -0.56 -1.07 0.00 0.00 179.97 178.42 1gfa h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.98 -2.35 115.11 113.89 1gfa h GLN 123 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 1gfa h GLN 123 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1gfa h GLN 123 CO -0.00 0.00 -0.23 1.88 0.09 0.00 0.00 178.83 180.57 1gfa h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.64 -3.27 116.97 112.16 1gfa h TYR 124 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1gfa h TYR 124 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1gfa h TYR 124 CO 0.00 0.23 -0.03 1.33 -1.05 0.00 0.00 178.16 178.65 1gfa n VAL 125 N -3.34 0.00 -1.72 -2.88 0.24 -0.90 -4.84 118.33 104.89 1gfa n VAL 125 Ca 0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1gfa n VAL 125 Cb 0.47 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1gfa n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfa s GLN 126 N -0.64 4.12 0.00 7.34 -1.52 -1.11 -2.33 119.66 125.52 1gfa s GLN 126 Ca 0.07 2.62 0.00 0.00 -1.95 0.00 0.00 55.36 56.10 1gfa s GLN 126 Cb 0.05 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1gfa s GLN 126 CO 0.10 -0.77 0.00 0.41 -0.25 0.00 0.00 175.29 174.77 1gfa n GLY 127 N 4.03 0.84 0.02 3.09 0.00 -1.26 -4.90 105.19 107.01 1gfa n GLY 127 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1gfa n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfa n GLY 129 N 1.44 0.45 0.00 0.00 0.00 -1.26 -4.85 105.19 100.97 1gfa n GLY 129 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1gfa n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65