#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf6 s VAL 2 N 0.00 3.20 0.65 3.15 1.01 -1.26 -0.59 120.40 126.55 1gf6 s VAL 2 Ca 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 1gf6 s VAL 2 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1gf6 s VAL 2 CO 0.00 -0.22 1.10 -0.36 0.00 0.00 0.00 175.10 175.62 1gf6 s PHE 3 N 1.26 2.69 0.25 5.22 0.08 -0.36 -5.00 117.98 122.12 1gf6 s PHE 3 Ca -0.02 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.52 1gf6 s PHE 3 Cb -0.20 -3.14 -0.06 0.00 -0.57 0.00 0.00 43.02 39.05 1gf6 s PHE 3 CO -0.01 -1.59 0.51 -1.21 -0.10 0.00 0.00 175.22 172.83 1gf6 s GLU 4 N -4.08 3.65 0.01 0.44 2.02 -1.26 -4.85 118.70 114.63 1gf6 s GLU 4 Ca 0.66 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.64 1gf6 s GLU 4 Cb -0.20 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1gf6 s GLU 4 CO 0.40 0.29 1.04 -0.09 0.02 0.00 0.00 175.26 176.92 1gf6 h ARG 5 N 2.06 -0.02 0.00 1.61 2.43 -1.96 -1.63 114.38 116.87 1gf6 h ARG 5 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1gf6 h ARG 5 Cb 1.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1gf6 h ARG 5 CO 0.68 -0.01 -0.08 0.00 -1.51 0.00 0.00 179.97 179.04 1gf6 h GLU 7 N 0.00 0.36 -0.39 0.00 4.81 -1.89 -1.84 114.58 115.63 1gf6 h GLU 7 Ca -0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1gf6 h GLU 7 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1gf6 h GLU 7 CO 0.01 0.36 -0.04 1.25 -0.73 0.00 0.00 179.01 179.86 1gf6 h LEU 8 N 0.28 0.71 -0.74 1.64 5.85 -0.37 -1.82 115.31 120.86 1gf6 h LEU 8 Ca 0.09 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1gf6 h LEU 8 Cb 0.11 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 1gf6 h LEU 8 CO -0.01 0.87 0.37 0.00 -0.34 0.00 0.00 178.44 179.33 1gf6 h ALA 9 N 0.86 1.04 -0.12 1.25 0.00 -0.95 0.15 119.26 121.49 1gf6 h ALA 9 Ca 0.11 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1gf6 h ALA 9 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1gf6 h ALA 9 CO 0.03 -0.04 -0.64 0.00 0.00 0.00 0.00 179.25 178.59 1gf6 h ARG 10 N 0.62 0.45 -0.43 0.00 3.08 -1.25 -1.17 114.38 115.68 1gf6 h ARG 10 Ca 0.37 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1gf6 h ARG 10 Cb 0.41 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1gf6 h ARG 10 CO -0.28 0.94 0.17 1.15 -1.07 0.00 0.00 179.97 180.87 1gf6 h THR 11 N 0.33 1.20 -0.60 2.04 2.02 -0.46 -0.24 112.91 117.20 1gf6 h THR 11 Ca -0.01 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1gf6 h THR 11 Cb 1.19 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1gf6 h THR 11 CO 0.11 0.23 0.04 -0.07 0.37 0.00 0.00 175.52 176.20 1gf6 h LEU 12 N 0.55 1.00 -0.84 2.58 3.38 -0.65 -2.38 115.31 118.95 1gf6 h LEU 12 Ca 0.14 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1gf6 h LEU 12 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1gf6 h LEU 12 CO -0.01 1.04 0.21 0.50 0.09 0.00 0.00 178.44 180.27 1gf6 h LYS 13 N 0.93 1.07 0.00 1.13 3.64 -0.86 -1.90 116.57 120.58 1gf6 h LYS 13 Ca 0.18 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1gf6 h LYS 13 Cb 0.50 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1gf6 h LYS 13 CO 0.02 0.92 -0.18 0.00 -2.27 0.00 0.00 179.45 177.94 1gf6 h ARG 14 N 1.03 0.00 -0.26 1.90 3.08 -0.87 -2.47 114.38 116.79 1gf6 h ARG 14 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1gf6 h ARG 14 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1gf6 h ARG 14 CO -0.01 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 1gf6 n LEU 15 N -3.40 1.68 -0.12 3.04 4.77 -0.75 -4.92 117.00 117.29 1gf6 n LEU 15 Ca -0.00 -0.79 -0.01 0.00 -0.03 0.00 0.00 56.01 55.18 1gf6 n LEU 15 Cb 0.37 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1gf6 n LEU 15 CO 0.32 0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 177.37 1gf6 n GLY 16 N 1.06 0.38 0.12 -0.72 0.00 -0.93 -4.97 105.19 100.12 1gf6 n GLY 16 Ca 0.13 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1gf6 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf6 h MET 17 N 0.00 0.00 -6.22 1.61 2.86 -1.65 -3.40 114.93 108.13 1gf6 h MET 17 Ca -0.03 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.06 1gf6 h MET 17 Cb 0.68 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1gf6 h MET 17 CO 0.03 0.00 1.27 0.34 1.06 0.00 0.00 176.91 179.61 1gf6 s ASP 18 N -5.10 5.77 0.00 1.22 -1.08 -1.26 -2.29 116.67 113.92 1gf6 s ASP 18 Ca 0.04 0.92 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1gf6 s ASP 18 Cb 0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1gf6 s ASP 18 CO 0.73 -1.87 0.00 0.61 0.52 0.00 0.00 175.17 175.16 1gf6 n GLY 19 N 5.45 0.59 3.66 2.66 0.00 0.67 -4.92 105.19 113.30 1gf6 n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1gf6 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gf6 s TYR 20 N -2.03 1.34 -1.58 1.61 5.04 -0.97 -0.93 117.35 119.83 1gf6 s TYR 20 Ca 0.00 -0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 54.06 1gf6 s TYR 20 Cb 0.00 -4.23 0.11 0.00 0.35 0.00 0.00 41.96 38.18 1gf6 s TYR 20 CO 0.00 -5.50 0.92 0.54 -1.34 0.00 0.00 175.55 170.17 1gf6 n ARG 21 N 7.44 -4.82 -0.98 4.97 5.12 -1.26 -1.13 116.66 126.00 1gf6 n ARG 21 Ca 0.20 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1gf6 n ARG 21 Cb 0.41 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 1gf6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf6 n GLY 22 N -1.61 0.44 3.60 -0.13 0.00 -0.11 -5.00 105.19 102.39 1gf6 n GLY 22 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1gf6 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf6 s ILE 23 N -2.00 5.22 0.73 -0.61 1.01 -0.29 -4.89 121.20 120.37 1gf6 s ILE 23 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.95 1gf6 s ILE 23 Cb 0.00 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1gf6 s ILE 23 CO 0.00 0.19 1.11 -0.94 0.00 0.00 0.00 174.94 175.30 1gf6 s SER 24 N 1.68 4.69 0.32 3.58 1.04 -1.26 -0.24 113.70 123.51 1gf6 s SER 24 Ca 0.12 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.49 1gf6 s SER 24 Cb -0.16 -2.54 0.53 0.00 0.10 0.00 0.00 66.02 63.96 1gf6 s SER 24 CO 0.10 -1.91 1.98 0.25 0.98 0.00 0.00 173.24 174.64 1gf6 h LEU 25 N -0.61 0.86 -1.23 2.42 5.85 -1.91 -1.59 115.31 119.10 1gf6 h LEU 25 Ca -0.45 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1gf6 h LEU 25 Cb 1.24 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1gf6 h LEU 25 CO 0.52 0.61 0.51 0.00 -0.34 0.00 0.00 178.44 179.74 1gf6 h ALA 26 N 1.53 1.44 -0.22 1.25 0.00 -1.92 0.96 119.26 122.31 1gf6 h ALA 26 Ca 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1gf6 h ALA 26 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1gf6 h ALA 26 CO -0.07 0.52 -0.01 -0.91 0.00 0.00 0.00 179.25 178.78 1gf6 h ASN 27 N 1.06 0.39 -0.45 0.00 2.35 -1.62 0.12 115.58 117.42 1gf6 h ASN 27 Ca 0.28 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1gf6 h ASN 27 Cb -0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1gf6 h ASN 27 CO -0.06 0.62 0.12 -0.50 -1.65 0.00 0.00 177.43 175.95 1gf6 h TRP 28 N 0.15 0.81 -0.18 1.19 4.06 -1.05 -0.72 115.95 120.22 1gf6 h TRP 28 Ca 0.06 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1gf6 h TRP 28 Cb 0.43 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1gf6 h TRP 28 CO 0.04 0.69 0.04 0.52 -3.56 0.00 0.00 178.44 176.17 1gf6 h MET 29 N 0.76 0.29 -0.98 0.49 2.86 -0.68 -1.28 114.93 116.40 1gf6 h MET 29 Ca 0.17 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1gf6 h MET 29 Cb 0.29 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1gf6 h MET 29 CO -0.00 0.44 0.64 0.00 1.06 0.00 0.00 176.91 179.04 1gf6 h LEU 31 N 1.17 -0.08 -0.76 0.00 5.85 -0.85 -2.19 115.31 118.45 1gf6 h LEU 31 Ca 0.41 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1gf6 h LEU 31 Cb 0.12 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1gf6 h LEU 31 CO -0.15 0.10 0.37 0.00 -0.34 0.00 0.00 178.44 178.42 1gf6 h ALA 32 N 0.67 0.98 0.15 1.25 0.00 -0.99 0.58 119.26 121.91 1gf6 h ALA 32 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gf6 h ALA 32 Cb 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gf6 h ALA 32 CO 0.01 0.55 -0.10 -0.22 0.00 0.00 0.00 179.25 179.50 1gf6 h LYS 33 N 1.08 -0.23 0.00 0.00 1.63 -1.18 -1.30 116.57 116.56 1gf6 h LYS 33 Ca 0.26 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.94 1gf6 h LYS 33 Cb 0.12 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1gf6 h LYS 33 CO -0.03 -0.16 -0.64 -1.49 -3.45 0.00 0.00 179.45 173.69 1gf6 h TRP 34 N -0.24 0.00 -0.07 1.91 4.06 -1.30 -0.97 115.95 119.35 1gf6 h TRP 34 Ca -0.01 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 1gf6 h TRP 34 Cb 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1gf6 h TRP 34 CO -0.09 0.64 -0.45 0.93 -3.56 0.00 0.00 178.44 175.91 1gf6 h GLU 35 N 0.00 0.42 0.00 0.49 4.39 -0.76 -3.42 114.58 115.70 1gf6 h GLU 35 Ca -0.01 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1gf6 h GLU 35 Cb 1.27 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1gf6 h GLU 35 CO 0.08 1.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.81 1gf6 n SER 36 N -4.31 0.05 -1.07 1.42 3.41 -0.52 -4.80 113.62 107.80 1gf6 n SER 36 Ca -0.09 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.77 1gf6 n SER 36 Cb 0.58 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1gf6 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf6 n GLY 37 N 0.03 0.01 2.29 5.00 0.00 -0.37 -2.78 105.19 109.36 1gf6 n GLY 37 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1gf6 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf6 n TYR 38 N -3.99 -0.61 -3.57 1.61 0.53 -1.17 -4.75 117.16 105.20 1gf6 n TYR 38 Ca -0.10 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.38 1gf6 n TYR 38 Cb 0.58 -2.99 -0.11 0.00 -1.03 0.00 0.00 39.34 35.79 1gf6 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf6 s ASN 39 N -2.40 5.85 0.53 7.72 2.47 -1.12 -1.23 114.94 126.75 1gf6 s ASN 39 Ca 0.00 -0.57 0.31 0.00 0.42 0.00 0.00 52.86 53.02 1gf6 s ASN 39 Cb 0.00 -2.08 1.30 0.00 -1.45 0.00 0.00 41.25 39.02 1gf6 s ASN 39 CO 0.00 -0.26 1.97 0.71 -3.72 0.00 0.00 177.10 175.79 1gf6 h THR 40 N 5.61 0.17 -0.74 -5.21 1.35 -1.16 -2.98 112.91 109.95 1gf6 h THR 40 Ca -0.30 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1gf6 h THR 40 Cb 1.14 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1gf6 h THR 40 CO 0.64 0.06 0.00 -2.11 -0.25 0.00 0.00 175.52 173.86 1gf6 n ARG 41 N -3.20 2.91 -1.94 4.72 1.85 -1.26 -4.05 116.66 115.69 1gf6 n ARG 41 Ca 0.00 -2.73 -0.41 0.00 -1.00 0.00 0.00 57.85 53.72 1gf6 n ARG 41 Cb 0.32 -1.64 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 1gf6 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gf6 s ALA 42 N -1.15 3.56 0.01 2.89 0.00 -1.14 -4.80 121.76 121.14 1gf6 s ALA 42 Ca 0.50 1.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.84 1gf6 s ALA 42 Cb 0.27 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1gf6 s ALA 42 CO 0.32 -0.87 0.09 0.95 0.00 0.00 0.00 175.76 176.26 1gf6 s THR 43 N -0.98 0.10 -0.14 0.00 -4.23 -1.26 -1.10 115.64 108.03 1gf6 s THR 43 Ca 0.52 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1gf6 s THR 43 Cb -0.44 -0.49 0.07 0.00 1.34 0.00 0.00 72.50 72.98 1gf6 s THR 43 CO 0.57 -0.45 0.23 0.21 -0.54 0.00 0.00 174.62 174.63 1gf6 s ASN 44 N -1.56 0.75 0.09 3.99 2.47 -0.83 -4.97 114.94 114.89 1gf6 s ASN 44 Ca -0.13 0.28 -0.20 0.00 0.42 0.00 0.00 52.86 53.23 1gf6 s ASN 44 Cb -0.07 0.52 -0.07 0.00 -1.45 0.00 0.00 41.25 40.18 1gf6 s ASN 44 CO -0.00 -0.27 0.61 -0.47 -3.72 0.00 0.00 177.10 173.24 1gf6 s TYR 45 N 2.37 3.82 -0.50 0.43 6.04 -1.26 -0.50 117.35 127.74 1gf6 s TYR 45 Ca 0.04 1.33 -0.03 0.00 0.04 0.00 0.00 57.07 58.45 1gf6 s TYR 45 Cb -0.13 -2.54 0.13 0.00 -1.04 0.00 0.00 41.96 38.38 1gf6 s TYR 45 CO -0.09 0.57 0.30 -0.80 -1.54 0.00 0.00 175.55 173.99 1gf6 s ASN 46 N -1.15 5.26 0.55 4.32 0.01 0.24 -4.96 114.94 119.22 1gf6 s ASN 46 Ca 0.31 -2.36 0.23 0.00 -0.71 0.00 0.00 52.86 50.33 1gf6 s ASN 46 Cb -0.20 -1.85 1.47 0.00 0.41 0.00 0.00 41.25 41.08 1gf6 s ASN 46 CO 0.20 -0.48 2.13 0.00 -1.51 0.00 0.00 177.10 177.44 1gf6 h ALA 47 N 7.66 1.98 -0.07 0.60 0.00 -1.96 0.90 119.26 128.37 1gf6 h ALA 47 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gf6 h ALA 47 Cb 1.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1gf6 h ALA 47 CO 0.71 -0.19 0.04 0.78 0.00 0.00 0.00 179.25 180.60 1gf6 h GLY 48 N 0.00 0.10 -0.41 0.00 0.00 -1.95 -3.30 103.07 97.50 1gf6 h GLY 48 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1gf6 h GLY 48 CO -0.00 0.04 0.00 2.09 0.00 0.00 0.00 176.54 178.67 1gf6 n ASP 49 N -5.03 2.35 -2.58 0.19 5.75 -1.08 -5.00 116.55 111.15 1gf6 n ASP 49 Ca -0.06 -2.11 -0.21 0.00 -0.01 0.00 0.00 54.79 52.40 1gf6 n ASP 49 Cb 0.04 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 1gf6 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf6 n ARG 50 N -0.28 -2.79 -3.95 0.11 1.74 0.29 -4.76 116.66 107.01 1gf6 n ARG 50 Ca 0.05 0.97 -0.22 0.00 -0.77 0.00 0.00 57.85 57.88 1gf6 n ARG 50 Cb 0.35 -5.69 -0.05 0.00 -1.02 0.00 0.00 32.46 26.05 1gf6 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf6 s SER 51 N -2.29 4.89 0.02 0.55 1.04 -1.17 -4.48 113.70 112.25 1gf6 s SER 51 Ca 0.11 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1gf6 s SER 51 Cb -0.05 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 1gf6 s SER 51 CO 0.13 -0.38 -0.12 -0.89 0.98 0.00 0.00 173.24 172.97 1gf6 s THR 52 N -2.41 0.90 -0.18 2.02 2.01 -1.26 -0.59 115.64 116.13 1gf6 s THR 52 Ca 0.40 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1gf6 s THR 52 Cb -0.03 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1gf6 s THR 52 CO 0.24 0.03 0.13 -1.81 -0.69 0.00 0.00 174.62 172.53 1gf6 s ASP 53 N -0.84 6.25 -0.04 3.53 1.01 0.35 -1.21 116.67 125.71 1gf6 s ASP 53 Ca 0.01 0.29 0.06 0.00 0.71 0.00 0.00 52.55 53.61 1gf6 s ASP 53 Cb -0.07 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1gf6 s ASP 53 CO 0.01 0.23 -0.22 -0.31 0.21 0.00 0.00 175.17 175.08 1gf6 s TYR 54 N 0.05 2.15 0.00 4.23 2.02 0.56 -1.96 117.35 124.41 1gf6 s TYR 54 Ca 0.10 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1gf6 s TYR 54 Cb -0.11 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1gf6 s TYR 54 CO -0.01 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1gf6 n GLY 55 N 2.90 -1.54 0.27 0.71 0.00 -0.26 -1.62 105.19 105.66 1gf6 n GLY 55 Ca -0.17 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.65 1gf6 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf6 h ILE 56 N 0.00 0.88 -0.26 -0.61 2.10 -1.67 -1.24 117.51 116.70 1gf6 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gf6 h ILE 56 Cb 0.00 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1gf6 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1gf6 n PHE 57 N -4.37 0.33 -3.88 2.19 0.99 -1.26 -4.05 117.46 107.42 1gf6 n PHE 57 Ca -0.03 -0.26 -0.36 0.00 -0.00 0.00 0.00 57.45 56.80 1gf6 n PHE 57 Cb 0.11 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 38.60 1gf6 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf6 n GLN 58 N 0.89 -1.10 -2.66 -1.08 1.13 -0.47 -4.90 117.38 109.19 1gf6 n GLN 58 Ca 0.13 0.30 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 1gf6 n GLN 58 Cb 0.44 -3.58 -0.04 0.00 0.11 0.00 0.00 30.24 27.17 1gf6 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf6 s ILE 59 N -3.58 4.56 0.16 5.09 1.01 -0.64 -4.39 121.20 123.41 1gf6 s ILE 59 Ca 0.41 1.95 -0.27 0.00 0.00 0.00 0.00 60.65 62.74 1gf6 s ILE 59 Cb -0.18 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1gf6 s ILE 59 CO 0.91 0.21 0.83 0.21 0.00 0.00 0.00 174.94 177.11 1gf6 s ASN 60 N 0.60 7.43 0.23 3.58 3.84 -1.26 -0.32 114.94 129.05 1gf6 s ASN 60 Ca 0.51 1.70 0.24 0.00 0.21 0.00 0.00 52.86 55.53 1gf6 s ASN 60 Cb -0.24 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.85 1gf6 s ASN 60 CO 0.29 0.14 1.74 -1.54 -2.79 0.00 0.00 177.10 174.94 1gf6 n SER 61 N 1.90 0.71 -0.12 -4.21 3.41 -0.35 -1.90 113.62 113.06 1gf6 n SER 61 Ca -0.03 0.63 -0.03 0.00 -0.26 0.00 0.00 58.87 59.17 1gf6 n SER 61 Cb 0.49 -0.80 0.18 0.00 -0.26 0.00 0.00 64.21 63.82 1gf6 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gf6 h ARG 62 N 0.00 0.81 0.00 4.33 2.43 -1.83 -3.40 114.38 116.71 1gf6 h ARG 62 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1gf6 h ARG 62 Cb 0.50 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1gf6 h ARG 62 CO 0.00 0.77 -0.90 0.66 -1.51 0.00 0.00 179.97 178.99 1gf6 n TYR 63 N -4.25 0.00 -0.10 2.20 4.02 -1.21 0.19 117.16 118.01 1gf6 n TYR 63 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.82 1gf6 n TYR 63 Cb 0.26 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.42 1gf6 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gf6 n TRP 64 N -1.87 0.02 -4.08 -0.72 7.02 -0.80 -0.57 117.44 116.44 1gf6 n TRP 64 Ca 0.00 0.01 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 1gf6 n TRP 64 Cb 0.45 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.23 1gf6 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf6 s ASN 66 N -2.65 6.13 0.00 0.00 2.47 -0.32 -4.57 114.94 116.00 1gf6 s ASN 66 Ca 0.03 0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.46 1gf6 s ASN 66 Cb 0.04 -2.10 0.03 0.00 -1.45 0.00 0.00 41.25 37.76 1gf6 s ASN 66 CO -0.07 0.07 0.67 -0.90 -3.72 0.00 0.00 177.10 173.15 1gf6 n ASP 67 N 4.22 1.38 0.00 -4.21 5.68 -1.26 -1.09 116.55 121.27 1gf6 n ASP 67 Ca -0.15 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 1gf6 n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1gf6 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf6 n GLY 68 N 0.04 1.37 0.04 6.12 0.00 -1.26 -4.78 105.19 106.71 1gf6 n GLY 68 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1gf6 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf6 n LYS 69 N -2.00 2.16 -3.73 1.61 2.85 -1.26 -4.98 118.16 112.81 1gf6 n LYS 69 Ca 0.00 -2.03 -0.37 0.00 -1.05 0.00 0.00 58.31 54.86 1gf6 n LYS 69 Cb 0.00 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.01 1gf6 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf6 s THR 70 N -1.92 4.26 0.18 0.58 2.01 -1.26 -4.95 115.64 114.54 1gf6 s THR 70 Ca 0.16 -0.46 -0.33 0.00 0.31 0.00 0.00 61.69 61.36 1gf6 s THR 70 Cb 0.14 -3.13 -0.14 0.00 0.01 0.00 0.00 72.50 69.38 1gf6 s THR 70 CO 0.01 0.15 1.56 -2.65 -0.69 0.00 0.00 174.62 173.01 1gf6 n PRO 71 N 4.92 2.18 -1.93 4.92 -0.02 -1.26 -2.57 135.00 141.24 1gf6 n PRO 71 Ca -0.15 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1gf6 n PRO 71 Cb 0.49 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1gf6 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf6 n GLY 72 N 3.25 0.26 3.88 -1.23 0.00 -1.26 -4.94 105.19 105.15 1gf6 n GLY 72 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1gf6 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf6 s ALA 73 N -2.31 3.06 0.44 4.61 0.00 -1.06 -5.03 121.76 121.47 1gf6 s ALA 73 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1gf6 s ALA 73 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 1gf6 s ALA 73 CO 0.00 -0.86 0.04 1.33 0.00 0.00 0.00 175.76 176.27 1gf6 n VAL 74 N -2.80 0.00 -3.14 0.00 0.24 0.13 -4.99 118.33 107.76 1gf6 n VAL 74 Ca 0.06 -2.20 -0.21 0.00 -2.04 0.00 0.00 64.34 59.94 1gf6 n VAL 74 Cb 0.56 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 1gf6 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gf6 n ASN 75 N -1.37 -0.02 0.06 -1.34 5.15 -1.21 -3.92 115.26 112.61 1gf6 n ASN 75 Ca -0.15 -2.82 0.12 0.00 -0.60 0.00 0.00 54.58 51.13 1gf6 n ASN 75 Cb 0.58 -0.38 0.59 0.00 -0.53 0.00 0.00 39.78 40.04 1gf6 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf6 h ALA 76 N 3.80 2.10 -0.00 5.20 0.00 -0.89 -0.51 119.26 128.97 1gf6 h ALA 76 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gf6 h ALA 76 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1gf6 h ALA 76 CO 0.45 -0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.33 1gf6 n HIS 78 N -1.44 -2.03 -3.97 0.00 -0.00 -0.20 -4.96 115.22 102.62 1gf6 n HIS 78 Ca 0.07 0.76 -0.09 0.00 -0.00 0.00 0.00 57.72 58.46 1gf6 n HIS 78 Cb 0.33 -4.15 -0.11 0.00 -0.00 0.00 0.00 29.99 26.06 1gf6 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf6 s LEU 79 N -6.35 2.14 0.37 2.41 1.43 -1.26 -5.07 118.68 112.35 1gf6 s LEU 79 Ca 0.20 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 1gf6 s LEU 79 Cb -0.05 0.21 -0.09 0.00 0.03 0.00 0.00 46.19 46.29 1gf6 s LEU 79 CO 0.80 -0.35 1.02 -0.55 0.23 0.00 0.00 176.35 177.51 1gf6 s SER 80 N -1.61 6.95 0.61 2.29 0.15 -1.26 -1.17 113.70 119.65 1gf6 s SER 80 Ca -0.13 1.98 0.37 0.00 0.70 0.00 0.00 55.95 58.86 1gf6 s SER 80 Cb -0.08 -2.58 2.00 0.00 -1.71 0.00 0.00 66.02 63.65 1gf6 s SER 80 CO -0.02 -0.35 2.25 0.00 1.20 0.00 0.00 173.24 176.32 1gf6 h SER 82 N 0.00 0.45 -0.02 0.00 0.87 -1.90 -0.73 113.55 112.22 1gf6 h SER 82 Ca -0.00 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1gf6 h SER 82 Cb 0.12 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1gf6 h SER 82 CO 0.00 0.31 0.04 0.00 -0.53 0.00 0.00 176.83 176.65 1gf6 h ALA 83 N 1.71 1.34 -0.38 6.23 0.00 -1.54 -0.99 119.26 125.63 1gf6 h ALA 83 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gf6 h ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gf6 h ALA 83 CO -0.06 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1gf6 n LEU 84 N -3.49 2.29 -0.06 0.00 4.77 -0.28 -3.66 117.00 116.58 1gf6 n LEU 84 Ca -0.02 -1.15 0.05 0.00 -0.03 0.00 0.00 56.01 54.85 1gf6 n LEU 84 Cb 0.12 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1gf6 n LEU 84 CO 0.24 0.52 0.51 0.18 -1.33 0.00 0.00 177.39 177.50 1gf6 n LEU 85 N 0.61 1.96 -4.87 2.23 4.77 -0.37 -3.12 117.00 118.21 1gf6 n LEU 85 Ca 0.13 -2.35 -0.31 0.00 -0.03 0.00 0.00 56.01 53.46 1gf6 n LEU 85 Cb 0.39 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1gf6 n LEU 85 CO 0.10 0.56 0.54 -1.10 -1.33 0.00 0.00 177.39 176.15 1gf6 s GLN 86 N -1.76 3.81 0.25 3.23 -0.21 -1.24 -4.61 119.66 119.13 1gf6 s GLN 86 Ca 0.15 0.63 0.02 0.00 0.02 0.00 0.00 55.36 56.18 1gf6 s GLN 86 Cb 0.13 -2.29 0.31 0.00 1.00 0.00 0.00 33.01 32.16 1gf6 s GLN 86 CO 0.01 -0.15 1.63 -0.44 -2.12 0.00 0.00 175.29 174.22 1gf6 h ASP 87 N 0.99 0.43 -3.13 5.90 5.19 -1.94 -3.40 116.42 120.47 1gf6 h ASP 87 Ca -0.47 -0.19 -0.57 0.00 -0.62 0.00 0.00 57.03 55.18 1gf6 h ASP 87 Cb 1.19 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1gf6 h ASP 87 CO 0.63 0.80 0.72 0.21 -3.12 0.00 0.00 179.24 178.49 1gf6 s ASN 88 N -6.87 7.13 0.00 6.45 3.84 -1.26 -4.90 114.94 119.33 1gf6 s ASN 88 Ca -0.06 1.49 0.13 0.00 0.21 0.00 0.00 52.86 54.64 1gf6 s ASN 88 Cb 0.13 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.67 1gf6 s ASN 88 CO 0.80 -0.60 1.32 2.30 -2.79 0.00 0.00 177.10 178.14 1gf6 n ILE 89 N 5.01 0.54 -0.12 -5.21 -5.35 -1.26 -4.49 119.36 108.49 1gf6 n ILE 89 Ca 0.11 -0.55 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 1gf6 n ILE 89 Cb 0.47 0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.67 1gf6 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf6 h ALA 90 N 3.79 0.25 -0.51 -1.28 0.00 -1.95 0.01 119.26 119.58 1gf6 h ALA 90 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1gf6 h ALA 90 Cb 0.56 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1gf6 h ALA 90 CO 0.00 -0.46 0.07 -0.44 0.00 0.00 0.00 179.25 178.42 1gf6 h ASP 91 N -0.01 0.82 -0.58 0.00 3.45 -1.87 -1.17 116.42 117.07 1gf6 h ASP 91 Ca 0.19 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 1gf6 h ASP 91 Cb 0.29 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1gf6 h ASP 91 CO -0.41 0.88 0.31 0.00 -1.57 0.00 0.00 179.24 178.45 1gf6 h ALA 92 N 0.97 1.41 -0.46 3.45 0.00 -1.68 -0.93 119.26 122.02 1gf6 h ALA 92 Ca 0.15 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1gf6 h ALA 92 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gf6 h ALA 92 CO 0.01 0.47 -0.22 0.28 0.00 0.00 0.00 179.25 179.80 1gf6 h VAL 93 N 0.84 1.27 -0.80 0.00 2.07 -0.71 0.20 116.25 119.12 1gf6 h VAL 93 Ca 0.21 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1gf6 h VAL 93 Cb 0.05 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1gf6 h VAL 93 CO -0.03 0.47 0.37 0.00 0.02 0.00 0.00 177.57 178.41 1gf6 h ALA 94 N 0.85 1.03 -0.19 1.67 0.00 -0.65 0.38 119.26 122.36 1gf6 h ALA 94 Ca 0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1gf6 h ALA 94 Cb 0.80 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gf6 h ALA 94 CO 0.07 0.61 -0.59 0.00 0.00 0.00 0.00 179.25 179.34 1gf6 h ALA 96 N 0.87 1.11 -0.52 0.00 0.00 -0.20 -0.19 119.26 120.32 1gf6 h ALA 96 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1gf6 h ALA 96 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1gf6 h ALA 96 CO 0.11 0.59 -0.07 0.87 0.00 0.00 0.00 179.25 180.75 1gf6 h LYS 97 N 0.86 0.98 -0.44 0.00 1.57 -0.75 -2.60 116.57 116.18 1gf6 h LYS 97 Ca 0.18 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1gf6 h LYS 97 Cb 0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1gf6 h LYS 97 CO 0.01 1.02 0.27 -0.09 -0.57 0.00 0.00 179.45 180.09 1gf6 h ARG 98 N 0.85 0.53 -0.42 3.15 9.65 -0.65 -2.46 114.38 125.03 1gf6 h ARG 98 Ca 0.14 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1gf6 h ARG 98 Cb 0.63 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 1gf6 h ARG 98 CO 0.04 0.35 0.14 1.15 2.80 0.00 0.00 179.97 184.45 1gf6 h THR 99 N 0.55 0.86 0.00 0.20 2.02 -0.86 -2.43 112.91 113.25 1gf6 h THR 99 Ca 0.17 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1gf6 h THR 99 Cb -0.01 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1gf6 h THR 99 CO -0.07 0.05 0.00 1.33 0.37 0.00 0.00 175.52 177.21 1gf6 n VAL 100 N -5.02 0.05 0.47 3.16 0.24 -1.00 -2.63 118.33 113.60 1gf6 n VAL 100 Ca 0.03 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 1gf6 n VAL 100 Cb 0.16 -0.56 0.38 0.00 -1.47 0.00 0.00 33.84 32.35 1gf6 n VAL 100 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1gf6 h ARG 101 N 0.00 0.00 -7.48 7.34 2.43 -0.97 -3.37 114.38 112.33 1gf6 h ARG 101 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 1gf6 h ARG 101 Cb 0.14 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.79 1gf6 h ARG 101 CO 0.00 0.00 0.37 -0.51 -1.51 0.00 0.00 179.97 178.32 1gf6 s ASP 102 N -4.99 4.72 0.33 -3.80 -0.00 -1.08 -4.97 116.67 106.87 1gf6 s ASP 102 Ca 0.08 1.12 0.09 0.00 -0.00 0.00 0.00 52.55 53.84 1gf6 s ASP 102 Cb 0.10 -1.81 0.82 0.00 -0.00 0.00 0.00 42.92 42.03 1gf6 s ASP 102 CO 0.58 -1.80 1.79 1.55 -0.00 0.00 0.00 175.17 177.28 1gf6 h PRO 103 N -0.98 0.66 0.00 8.23 0.13 -1.88 -2.53 132.00 135.63 1gf6 h PRO 103 Ca -0.47 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1gf6 h PRO 103 Cb 1.28 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1gf6 h PRO 103 CO 0.62 0.44 -0.26 1.96 -0.23 0.00 0.00 178.00 180.53 1gf6 h GLN 104 N 0.68 0.00 0.00 0.86 4.20 -1.90 -3.49 115.11 115.46 1gf6 h GLN 104 Ca 0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.28 1gf6 h GLN 104 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1gf6 h GLN 104 CO -0.34 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 178.49 1gf6 n GLY 105 N -0.30 1.46 0.32 3.46 0.00 -0.96 -2.28 105.19 106.89 1gf6 n GLY 105 Ca -0.01 -0.65 0.20 0.00 0.00 0.00 0.00 46.02 45.56 1gf6 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf6 h ILE 106 N 0.00 0.14 0.00 -0.61 6.09 -1.92 -1.79 117.51 119.41 1gf6 h ILE 106 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1gf6 h ILE 106 Cb 0.00 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.36 1gf6 h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1gf6 n ARG 107 N -3.26 0.04 -0.29 2.19 1.74 -0.97 -2.83 116.66 113.29 1gf6 n ARG 107 Ca -0.03 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1gf6 n ARG 107 Cb 0.10 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.42 1gf6 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf6 h ALA 108 N 2.25 1.83 -2.58 7.54 0.00 -1.49 -3.38 119.26 123.43 1gf6 h ALA 108 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 1gf6 h ALA 108 Cb 0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.63 1gf6 h ALA 108 CO 0.00 -0.10 -0.01 -1.58 0.00 0.00 0.00 179.25 177.56 1gf6 s TRP 109 N -5.70 3.26 0.33 0.00 0.51 -1.13 -4.97 118.94 111.26 1gf6 s TRP 109 Ca -0.10 0.64 0.02 0.00 -2.12 0.00 0.00 56.10 54.54 1gf6 s TRP 109 Cb 0.23 -2.73 0.59 0.00 -0.81 0.00 0.00 33.47 30.75 1gf6 s TRP 109 CO 0.79 -0.29 1.93 0.28 -0.51 0.00 0.00 176.95 179.16 1gf6 h VAL 110 N 5.40 1.18 -0.69 4.03 2.07 -1.90 -1.78 116.25 124.56 1gf6 h VAL 110 Ca -0.29 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 66.76 1gf6 h VAL 110 Cb 1.14 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1gf6 h VAL 110 CO 0.72 0.22 0.46 0.00 0.02 0.00 0.00 177.57 178.98 1gf6 h ALA 111 N 1.52 1.79 -0.43 1.67 0.00 -1.94 0.13 119.26 122.01 1gf6 h ALA 111 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1gf6 h ALA 111 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gf6 h ALA 111 CO -0.02 0.08 0.15 2.35 0.00 0.00 0.00 179.25 181.81 1gf6 h TRP 112 N 0.65 0.67 -0.52 0.00 7.01 -1.64 0.71 115.95 122.83 1gf6 h TRP 112 Ca 0.31 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 1gf6 h TRP 112 Cb 0.35 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1gf6 h TRP 112 CO -0.00 0.60 0.22 0.00 -2.79 0.00 0.00 178.44 176.48 1gf6 h ARG 113 N 0.55 0.77 -0.30 2.65 3.08 -1.17 0.16 114.38 120.12 1gf6 h ARG 113 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1gf6 h ARG 113 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1gf6 h ARG 113 CO -0.01 0.67 0.16 -0.91 -1.07 0.00 0.00 179.97 178.81 1gf6 h ASN 114 N 0.70 0.37 0.00 7.04 2.35 -0.41 -3.35 115.58 122.28 1gf6 h ASN 114 Ca 0.18 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1gf6 h ASN 114 Cb 0.17 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1gf6 h ASN 114 CO -0.02 0.36 -0.09 -2.11 -1.65 0.00 0.00 177.43 173.92 1gf6 n ARG 115 N -4.81 1.23 0.00 0.81 0.00 0.21 -4.87 116.66 109.23 1gf6 n ARG 115 Ca -0.02 -1.34 0.00 0.00 -0.00 0.00 0.00 57.85 56.50 1gf6 n ARG 115 Cb 0.08 -0.86 0.00 0.00 -0.00 0.00 0.00 32.46 31.68 1gf6 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gf6 s GLN 117 N -1.72 4.12 -1.50 0.00 0.74 0.24 -2.22 119.66 119.32 1gf6 s GLN 117 Ca 0.00 2.62 -0.04 0.00 0.05 0.00 0.00 55.36 57.99 1gf6 s GLN 117 Cb 0.00 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 31.06 1gf6 s GLN 117 CO 0.00 -0.75 0.40 0.09 -0.55 0.00 0.00 175.29 174.49 1gf6 n ASN 118 N 3.79 -5.42 -4.56 6.67 5.03 -1.26 -4.97 115.26 114.54 1gf6 n ASN 118 Ca 0.15 -0.20 -0.25 0.00 0.87 0.00 0.00 54.58 55.15 1gf6 n ASN 118 Cb 0.35 -4.44 -0.10 0.00 -1.02 0.00 0.00 39.78 34.57 1gf6 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf6 s ARG 119 N -5.56 1.88 -0.70 3.52 1.81 -0.94 -5.08 118.95 113.87 1gf6 s ARG 119 Ca 0.23 -1.87 -0.22 0.00 -1.72 0.00 0.00 55.73 52.16 1gf6 s ARG 119 Cb -0.11 -1.77 0.08 0.00 -0.45 0.00 0.00 34.95 32.70 1gf6 s ARG 119 CO 0.28 0.16 0.98 0.34 -0.68 0.00 0.00 175.30 176.39 1gf6 s ASP 120 N -3.63 6.24 -0.05 0.23 -1.08 -1.26 -4.87 116.67 112.25 1gf6 s ASP 120 Ca 0.33 -1.18 0.21 0.00 -0.52 0.00 0.00 52.55 51.39 1gf6 s ASP 120 Cb 0.01 -2.41 0.69 0.00 -1.46 0.00 0.00 42.92 39.75 1gf6 s ASP 120 CO 0.17 -1.37 1.59 1.33 0.52 0.00 0.00 175.17 177.41 1gf6 n VAL 121 N 5.85 1.39 -0.19 1.11 0.24 -1.26 -4.45 118.33 121.03 1gf6 n VAL 121 Ca 0.00 -1.09 0.07 0.00 -2.04 0.00 0.00 64.34 61.28 1gf6 n VAL 121 Cb 0.46 0.33 0.36 0.00 -1.47 0.00 0.00 33.84 33.51 1gf6 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf6 h ARG 122 N 4.25 0.72 -0.56 7.34 3.08 -1.93 -1.84 114.38 125.45 1gf6 h ARG 122 Ca 0.00 -0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.17 1gf6 h ARG 122 Cb 1.21 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1gf6 h ARG 122 CO 0.11 0.48 0.53 -0.56 -1.07 0.00 0.00 179.97 179.46 1gf6 h GLN 123 N 0.75 0.00 0.00 0.04 3.07 -1.98 -2.32 115.11 114.67 1gf6 h GLN 123 Ca 0.32 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.96 1gf6 h GLN 123 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 1gf6 h GLN 123 CO -0.11 0.00 -0.47 1.88 0.09 0.00 0.00 178.83 180.22 1gf6 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.67 -3.31 116.97 112.09 1gf6 h TYR 124 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1gf6 h TYR 124 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.06 1gf6 h TYR 124 CO 0.00 0.47 -0.03 1.33 -1.05 0.00 0.00 178.16 178.88 1gf6 n VAL 125 N -3.56 0.00 -1.93 -2.88 0.24 -0.90 -4.80 118.33 104.51 1gf6 n VAL 125 Ca -0.00 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1gf6 n VAL 125 Cb 0.57 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1gf6 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gf6 s GLN 126 N -0.61 4.21 0.00 7.34 -1.52 -1.03 -2.23 119.66 125.83 1gf6 s GLN 126 Ca 0.06 2.39 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1gf6 s GLN 126 Cb 0.05 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1gf6 s GLN 126 CO 0.09 -0.55 0.00 0.41 -0.25 0.00 0.00 175.29 174.99 1gf6 n GLY 127 N 2.98 0.81 0.26 3.09 0.00 -1.26 -4.89 105.19 106.17 1gf6 n GLY 127 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1gf6 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf6 n GLY 129 N 1.37 0.08 0.20 0.00 0.00 -1.26 -4.80 105.19 100.77 1gf6 n GLY 129 Ca 0.11 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1gf6 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65