#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gft s VAL 2 N 0.00 3.51 0.54 3.15 1.01 -1.26 -0.92 120.40 126.43 1gft s VAL 2 Ca 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.30 1gft s VAL 2 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1gft s VAL 2 CO 0.00 -0.34 1.15 -0.36 0.00 0.00 0.00 175.10 175.55 1gft s PHE 3 N 1.30 2.64 0.42 5.22 0.08 -0.49 -4.99 117.98 122.17 1gft s PHE 3 Ca 0.01 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.46 1gft s PHE 3 Cb -0.21 -3.34 -0.07 0.00 -0.57 0.00 0.00 43.02 38.83 1gft s PHE 3 CO -0.00 -1.70 0.83 -1.21 -0.10 0.00 0.00 175.22 173.04 1gft s GLU 4 N -3.22 3.87 0.05 0.44 2.02 -1.26 -4.86 118.70 115.75 1gft s GLU 4 Ca 0.73 0.65 -0.15 0.00 0.02 0.00 0.00 54.97 56.22 1gft s GLU 4 Cb -0.26 -2.32 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1gft s GLU 4 CO 0.29 -0.07 1.25 -0.09 0.02 0.00 0.00 175.26 176.66 1gft h ARG 5 N 1.33 -0.22 0.00 1.61 2.43 -1.96 -1.71 114.38 115.86 1gft h ARG 5 Ca -0.47 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1gft h ARG 5 Cb 1.18 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1gft h ARG 5 CO 0.63 -0.15 -0.21 0.00 -1.51 0.00 0.00 179.97 178.74 1gft h GLU 7 N 0.00 0.70 -0.36 0.00 4.81 -1.87 -1.66 114.58 116.21 1gft h GLU 7 Ca -0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1gft h GLU 7 Cb 0.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1gft h GLU 7 CO 0.03 0.46 -0.08 1.25 -0.73 0.00 0.00 179.01 179.94 1gft h LEU 8 N 0.72 0.69 -0.53 1.64 5.85 -0.61 -1.78 115.31 121.29 1gft h LEU 8 Ca 0.20 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1gft h LEU 8 Cb -0.07 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 1gft h LEU 8 CO -0.05 0.89 0.10 0.00 -0.34 0.00 0.00 178.44 179.04 1gft h ALA 9 N 0.82 0.60 -0.26 1.25 0.00 -0.85 0.15 119.26 120.97 1gft h ALA 9 Ca 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1gft h ALA 9 Cb 0.59 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gft h ALA 9 CO 0.03 -0.31 -0.41 0.00 0.00 0.00 0.00 179.25 178.56 1gft h ARG 10 N 0.23 0.64 -0.05 0.00 3.08 -1.26 -1.18 114.38 115.84 1gft h ARG 10 Ca 0.27 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1gft h ARG 10 Cb 0.38 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1gft h ARG 10 CO -0.36 0.93 0.02 1.15 -1.07 0.00 0.00 179.97 180.64 1gft h THR 11 N 0.52 1.14 -0.95 2.04 2.02 -0.47 0.84 112.91 118.06 1gft h THR 11 Ca 0.04 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1gft h THR 11 Cb 0.93 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1gft h THR 11 CO 0.08 0.12 0.57 -0.07 0.37 0.00 0.00 175.52 176.59 1gft h LEU 12 N -0.08 1.14 -0.41 2.58 3.38 -0.63 -1.82 115.31 119.48 1gft h LEU 12 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gft h LEU 12 Cb 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1gft h LEU 12 CO -0.00 0.87 0.17 0.50 0.09 0.00 0.00 178.44 180.07 1gft h LYS 13 N 1.31 0.60 0.00 1.13 3.64 -0.73 -1.92 116.57 120.59 1gft h LYS 13 Ca 0.34 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1gft h LYS 13 Cb -0.06 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1gft h LYS 13 CO -0.06 0.56 -0.10 0.00 -2.27 0.00 0.00 179.45 177.57 1gft h ARG 14 N 0.51 0.00 -0.38 1.90 3.08 -0.50 -1.33 114.38 117.67 1gft h ARG 14 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1gft h ARG 14 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1gft h ARG 14 CO -0.01 0.10 0.00 1.28 -1.07 0.00 0.00 179.97 180.27 1gft n LEU 15 N -3.97 1.62 -0.80 3.04 4.77 -0.71 -4.91 117.00 116.04 1gft n LEU 15 Ca -0.02 -0.81 -0.07 0.00 -0.03 0.00 0.00 56.01 55.07 1gft n LEU 15 Cb 0.19 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1gft n LEU 15 CO 0.32 0.35 -0.09 0.61 -1.33 0.00 0.00 177.39 177.24 1gft n GLY 16 N 0.76 0.23 0.16 -0.72 0.00 -0.50 -4.96 105.19 100.16 1gft n GLY 16 Ca 0.09 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1gft n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gft h MET 17 N 0.00 0.00 -6.12 1.61 2.86 -1.53 -3.40 114.93 108.35 1gft h MET 17 Ca -0.17 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.92 1gft h MET 17 Cb 1.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1gft h MET 17 CO 0.21 0.04 1.34 0.34 1.06 0.00 0.00 176.91 179.91 1gft s ASP 18 N -5.78 5.57 -0.04 1.22 2.15 -1.26 -2.07 116.67 116.46 1gft s ASP 18 Ca 0.03 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1gft s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1gft s ASP 18 CO 0.74 -2.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.35 1gft n GLY 19 N 5.57 0.44 3.66 2.66 0.00 0.22 -4.93 105.19 112.81 1gft n GLY 19 Ca 0.24 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1gft n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gft s TYR 20 N -2.00 1.77 -1.40 1.61 5.04 -0.88 -1.05 117.35 120.43 1gft s TYR 20 Ca 0.00 -0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 1gft s TYR 20 Cb 0.00 -4.02 0.08 0.00 0.35 0.00 0.00 41.96 38.37 1gft s TYR 20 CO 0.00 -4.38 0.63 0.54 -1.34 0.00 0.00 175.55 171.00 1gft n ARG 21 N 7.24 -3.98 -0.99 4.97 5.12 -1.26 -1.03 116.66 126.71 1gft n ARG 21 Ca 0.18 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1gft n ARG 21 Cb 0.42 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.41 1gft n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gft n GLY 22 N -1.34 0.73 3.58 -0.13 0.00 -0.21 -5.01 105.19 102.81 1gft n GLY 22 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1gft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gft s ILE 23 N -2.94 4.94 0.87 -0.61 1.01 -0.20 -4.81 121.20 119.46 1gft s ILE 23 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 1gft s ILE 23 Cb 0.00 -4.01 0.11 0.00 0.01 0.00 0.00 42.46 38.57 1gft s ILE 23 CO 0.00 -0.21 1.10 -0.94 0.00 0.00 0.00 174.94 174.89 1gft s SER 24 N 1.72 3.64 0.21 3.58 1.04 -1.26 0.73 113.70 123.36 1gft s SER 24 Ca 0.23 1.74 -0.08 0.00 0.48 0.00 0.00 55.95 58.32 1gft s SER 24 Cb -0.15 -2.38 0.15 0.00 0.10 0.00 0.00 66.02 63.74 1gft s SER 24 CO 0.13 -2.57 1.78 0.25 0.98 0.00 0.00 173.24 173.81 1gft h LEU 25 N -1.50 1.05 -1.34 2.42 5.85 -1.92 -2.43 115.31 117.45 1gft h LEU 25 Ca -0.47 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.19 1gft h LEU 25 Cb 1.26 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1gft h LEU 25 CO 0.51 0.93 0.52 0.00 -0.34 0.00 0.00 178.44 180.06 1gft h ALA 26 N 1.17 1.76 -0.29 1.25 0.00 -1.92 0.35 119.26 121.57 1gft h ALA 26 Ca 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1gft h ALA 26 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gft h ALA 26 CO -0.02 0.08 -0.26 -0.91 0.00 0.00 0.00 179.25 178.13 1gft h ASN 27 N 0.74 0.73 -0.78 0.00 2.35 -1.78 -1.35 115.58 115.49 1gft h ASN 27 Ca 0.37 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1gft h ASN 27 Cb 0.45 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1gft h ASN 27 CO -0.14 1.04 0.43 -0.50 -1.65 0.00 0.00 177.43 176.61 1gft h TRP 28 N 0.44 1.07 -0.30 1.19 -0.00 -1.09 -1.73 115.95 115.53 1gft h TRP 28 Ca 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1gft h TRP 28 Cb 0.82 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.63 1gft h TRP 28 CO 0.07 0.75 0.14 0.52 -0.00 0.00 0.00 178.44 179.93 1gft h MET 29 N 1.08 0.43 -0.73 0.49 2.86 -0.87 -1.00 114.93 117.19 1gft h MET 29 Ca 0.27 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1gft h MET 29 Cb 0.03 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1gft h MET 29 CO -0.04 0.40 0.48 0.00 1.06 0.00 0.00 176.91 178.81 1gft h LEU 31 N 0.99 -0.59 -1.41 0.00 5.85 -1.05 -1.89 115.31 117.22 1gft h LEU 31 Ca 0.27 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1gft h LEU 31 Cb -0.10 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1gft h LEU 31 CO -0.06 -0.37 0.42 0.00 -0.34 0.00 0.00 178.44 178.09 1gft h ALA 32 N -0.30 1.62 0.36 1.25 0.00 -1.08 0.14 119.26 121.26 1gft h ALA 32 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gft h ALA 32 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1gft h ALA 32 CO 0.12 0.32 -0.17 -0.22 0.00 0.00 0.00 179.25 179.30 1gft h LYS 33 N 0.79 -0.46 0.00 0.00 1.63 -0.94 -1.01 116.57 116.58 1gft h LYS 33 Ca 0.25 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1gft h LYS 33 Cb 0.02 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1gft h LYS 33 CO -0.06 -0.29 -0.35 -1.49 -3.45 0.00 0.00 179.45 173.81 1gft h TRP 34 N -0.51 0.00 0.02 1.91 4.06 -1.02 -1.20 115.95 119.21 1gft h TRP 34 Ca -0.05 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 1gft h TRP 34 Cb 0.39 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.55 1gft h TRP 34 CO -0.05 0.35 -0.30 0.93 -3.56 0.00 0.00 178.44 175.81 1gft h GLU 35 N 0.00 0.18 0.00 0.49 4.39 -0.70 -3.43 114.58 115.51 1gft h GLU 35 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1gft h GLU 35 Cb 1.13 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1gft h GLU 35 CO 0.04 0.98 0.00 -1.13 -1.16 0.00 0.00 179.01 177.74 1gft n SER 36 N -4.46 0.09 -0.91 1.42 3.41 -0.43 -4.83 113.62 107.92 1gft n SER 36 Ca -0.10 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 1gft n SER 36 Cb 0.55 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1gft n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gft n GLY 37 N 0.07 0.28 2.30 5.00 0.00 -0.45 -2.56 105.19 109.82 1gft n GLY 37 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1gft n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gft n TYR 38 N -3.69 -0.06 -3.41 1.61 0.53 -1.18 -4.76 117.16 106.20 1gft n TYR 38 Ca -0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.36 1gft n TYR 38 Cb 0.50 -2.09 -0.09 0.00 -1.03 0.00 0.00 39.34 36.63 1gft n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gft s ASN 39 N -2.84 6.15 0.59 7.72 2.47 -1.06 -1.39 114.94 126.58 1gft s ASN 39 Ca 0.00 -0.50 0.37 0.00 0.42 0.00 0.00 52.86 53.15 1gft s ASN 39 Cb 0.00 -2.19 1.75 0.00 -1.45 0.00 0.00 41.25 39.36 1gft s ASN 39 CO 0.00 -0.41 2.13 0.71 -3.72 0.00 0.00 177.10 175.81 1gft h THR 40 N 5.60 0.06 -0.00 -5.21 1.35 -1.35 -2.93 112.91 110.43 1gft h THR 40 Ca -0.29 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1gft h THR 40 Cb 1.13 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1gft h THR 40 CO 0.72 0.01 -0.23 0.54 -0.25 0.00 0.00 175.52 176.31 1gft n ARG 41 N -3.14 0.48 -1.67 4.72 1.74 -1.26 -4.09 116.66 113.44 1gft n ARG 41 Ca -0.01 -0.22 -0.45 0.00 -0.77 0.00 0.00 57.85 56.40 1gft n ARG 41 Cb 0.22 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1gft n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gft n ALA 42 N -1.07 1.02 -3.04 7.54 0.00 -1.11 -4.78 120.51 119.07 1gft n ALA 42 Ca 0.11 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 1gft n ALA 42 Cb 0.32 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.39 1gft n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gft s THR 43 N -0.04 0.03 -0.10 0.00 -4.23 -1.26 -0.59 115.64 109.45 1gft s THR 43 Ca 0.69 -0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1gft s THR 43 Cb -0.66 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 72.94 1gft s THR 43 CO 0.49 -0.16 0.06 0.21 -0.54 0.00 0.00 174.62 174.69 1gft s ASN 44 N -0.50 1.79 -0.03 3.99 2.47 -0.58 -4.95 114.94 117.12 1gft s ASN 44 Ca -0.06 -0.27 -0.21 0.00 0.42 0.00 0.00 52.86 52.74 1gft s ASN 44 Cb -0.04 -0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.45 1gft s ASN 44 CO 0.01 -0.28 0.61 -0.47 -3.72 0.00 0.00 177.10 173.24 1gft s TYR 45 N 2.10 3.65 -0.47 0.43 6.14 -1.26 -0.22 117.35 127.72 1gft s TYR 45 Ca 0.03 1.18 -0.10 0.00 0.64 0.00 0.00 57.07 58.82 1gft s TYR 45 Cb -0.14 -2.65 0.11 0.00 0.42 0.00 0.00 41.96 39.70 1gft s TYR 45 CO -0.06 0.28 0.34 -0.80 0.64 0.00 0.00 175.55 175.96 1gft s ASN 46 N 0.08 5.77 0.45 4.32 0.01 -0.07 -4.95 114.94 120.55 1gft s ASN 46 Ca 0.32 -1.75 0.11 0.00 -0.71 0.00 0.00 52.86 50.83 1gft s ASN 46 Cb -0.18 -2.04 0.99 0.00 0.41 0.00 0.00 41.25 40.44 1gft s ASN 46 CO 0.17 -0.67 2.06 0.00 -1.51 0.00 0.00 177.10 177.15 1gft h ALA 47 N 8.51 1.77 -0.59 0.60 0.00 -1.96 0.12 119.26 127.71 1gft h ALA 47 Ca -0.23 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1gft h ALA 47 Cb 1.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1gft h ALA 47 CO 0.86 0.19 0.30 0.78 0.00 0.00 0.00 179.25 181.37 1gft h GLY 48 N 0.39 0.85 0.00 0.00 0.00 -1.95 -3.22 103.07 99.13 1gft h GLY 48 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1gft h GLY 48 CO -0.01 0.10 0.00 2.09 0.00 0.00 0.00 176.54 178.72 1gft n ASP 49 N -4.87 1.64 -1.39 0.19 5.75 -1.16 -5.01 116.55 111.70 1gft n ASP 49 Ca 0.07 -1.69 -0.16 0.00 -0.01 0.00 0.00 54.79 52.99 1gft n ASP 49 Cb 0.18 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1gft n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gft n ARG 50 N -0.35 -1.18 -2.92 0.11 1.74 0.40 -4.80 116.66 109.66 1gft n ARG 50 Ca 0.00 1.02 -0.18 0.00 -0.77 0.00 0.00 57.85 57.92 1gft n ARG 50 Cb 0.20 -5.26 0.02 0.00 -1.02 0.00 0.00 32.46 26.40 1gft n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gft s SER 51 N -2.70 5.49 0.00 0.55 1.04 -1.19 -4.37 113.70 112.51 1gft s SER 51 Ca 0.00 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1gft s SER 51 Cb 0.00 -0.58 -0.00 0.00 0.10 0.00 0.00 66.02 65.53 1gft s SER 51 CO 0.00 -0.93 -0.03 -0.89 0.98 0.00 0.00 173.24 172.37 1gft s THR 52 N -2.49 0.22 -0.13 2.02 2.01 -1.26 -0.89 115.64 115.12 1gft s THR 52 Ca 0.57 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 1gft s THR 52 Cb -0.09 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1gft s THR 52 CO 0.35 -0.01 0.42 -1.81 -0.69 0.00 0.00 174.62 172.88 1gft s ASP 53 N -0.26 6.62 -0.06 3.53 1.01 0.69 -1.63 116.67 126.57 1gft s ASP 53 Ca -0.01 0.73 0.05 0.00 0.71 0.00 0.00 52.55 54.03 1gft s ASP 53 Cb -0.02 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1gft s ASP 53 CO -0.00 0.04 -0.21 -0.31 0.21 0.00 0.00 175.17 174.90 1gft s TYR 54 N 0.52 2.55 0.00 4.23 2.02 0.54 -1.53 117.35 125.68 1gft s TYR 54 Ca 0.23 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1gft s TYR 54 Cb -0.15 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1gft s TYR 54 CO 0.09 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1gft n GLY 55 N 2.78 -1.08 0.31 0.71 0.00 0.24 -1.44 105.19 106.71 1gft n GLY 55 Ca -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.73 1gft n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gft h ILE 56 N 0.00 0.99 -0.02 -0.61 2.10 -1.70 -1.65 117.51 116.62 1gft h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1gft h ILE 56 Cb 0.00 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 1gft h ILE 56 CO 0.00 0.05 -0.07 0.49 -1.08 0.00 0.00 178.15 177.55 1gft n PHE 57 N -4.48 0.00 -3.58 2.19 0.99 -1.26 -3.86 117.46 107.46 1gft n PHE 57 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.22 1gft n PHE 57 Cb 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 38.72 1gft n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gft n GLN 58 N 0.95 -1.94 -2.78 -1.08 1.13 -0.62 -4.92 117.38 108.13 1gft n GLN 58 Ca 0.11 0.58 -0.41 0.00 -1.94 0.00 0.00 57.00 55.34 1gft n GLN 58 Cb 0.50 -4.70 -0.04 0.00 0.11 0.00 0.00 30.24 26.11 1gft n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gft s ILE 59 N -3.48 4.84 -0.00 5.09 1.01 -0.52 -4.42 121.20 123.71 1gft s ILE 59 Ca 0.41 1.95 -0.24 0.00 0.00 0.00 0.00 60.65 62.77 1gft s ILE 59 Cb -0.12 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1gft s ILE 59 CO 0.82 0.21 0.74 0.21 0.00 0.00 0.00 174.94 176.92 1gft s ASN 60 N 0.78 7.12 0.61 3.58 3.84 -1.26 -0.34 114.94 129.26 1gft s ASN 60 Ca 0.48 1.34 0.40 0.00 0.21 0.00 0.00 52.86 55.29 1gft s ASN 60 Cb -0.21 -2.44 2.06 0.00 -0.55 0.00 0.00 41.25 40.11 1gft s ASN 60 CO 0.27 -0.04 2.22 0.77 -2.79 0.00 0.00 177.10 177.52 1gft h SER 61 N 6.14 0.00 -0.81 -4.21 4.64 -1.54 -0.90 113.55 116.87 1gft h SER 61 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1gft h SER 61 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1gft h SER 61 CO 0.73 0.00 0.48 -0.09 -0.87 0.00 0.00 176.83 177.08 1gft h ARG 62 N 0.00 1.11 0.00 4.77 2.43 -1.83 -3.39 114.38 117.46 1gft h ARG 62 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1gft h ARG 62 Cb 0.13 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1gft h ARG 62 CO 0.00 0.78 -0.67 0.66 -1.51 0.00 0.00 179.97 179.24 1gft n TYR 63 N -4.37 0.00 -0.06 2.20 4.01 -1.10 -1.05 117.16 116.79 1gft n TYR 63 Ca 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1gft n TYR 63 Cb 0.07 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.95 1gft n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gft n TRP 64 N -1.51 0.30 -3.94 -0.72 7.02 -0.36 -0.35 117.44 117.86 1gft n TRP 64 Ca 0.00 0.10 -0.09 0.00 -1.02 0.00 0.00 57.50 56.50 1gft n TRP 64 Cb 0.33 -0.97 -0.08 0.00 -2.42 0.00 0.00 31.31 28.18 1gft n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gft s ASN 66 N -2.90 5.53 0.00 0.00 2.47 -0.23 -4.54 114.94 115.26 1gft s ASN 66 Ca 0.08 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.32 1gft s ASN 66 Cb 0.06 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 1gft s ASN 66 CO -0.08 0.05 0.71 -0.90 -3.72 0.00 0.00 177.10 173.15 1gft n ASP 67 N 4.38 1.38 0.00 -4.21 5.75 -1.26 -1.24 116.55 121.35 1gft n ASP 67 Ca -0.16 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1gft n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gft n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gft n GLY 68 N -0.22 0.68 0.14 6.12 0.00 -1.26 -4.63 105.19 106.01 1gft n GLY 68 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1gft n GLY 68 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1gft h LYS 69 N 0.00 0.00 -6.38 1.61 2.10 -1.95 -3.43 116.57 108.51 1gft h LYS 69 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1gft h LYS 69 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 1gft h LYS 69 CO 0.00 0.00 0.87 0.99 -2.00 0.00 0.00 179.45 179.31 1gft s THR 70 N -3.25 4.43 -0.34 0.07 2.01 -1.26 -4.95 115.64 112.36 1gft s THR 70 Ca 0.07 1.62 -0.35 0.00 0.31 0.00 0.00 61.69 63.34 1gft s THR 70 Cb 0.10 -4.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.07 1gft s THR 70 CO 0.51 -0.57 2.19 -2.65 -0.69 0.00 0.00 174.62 173.41 1gft n PRO 71 N 7.07 1.14 -1.21 4.92 -0.02 -1.26 -3.22 135.00 142.42 1gft n PRO 71 Ca 0.12 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1gft n PRO 71 Cb 0.47 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1gft n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gft n GLY 72 N 6.49 0.84 1.14 -1.23 0.00 -1.26 -5.01 105.19 106.17 1gft n GLY 72 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 1gft n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gft n ALA 73 N 1.04 -1.53 -2.59 4.61 0.00 -1.20 -5.08 120.51 115.76 1gft n ALA 73 Ca -0.09 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 1gft n ALA 73 Cb 0.54 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 1gft n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1gft s VAL 74 N -1.26 1.10 -0.41 0.00 -7.23 -0.22 -5.02 120.40 107.36 1gft s VAL 74 Ca 0.19 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 1gft s VAL 74 Cb -0.03 -2.48 0.21 0.00 0.56 0.00 0.00 36.38 34.63 1gft s VAL 74 CO 0.16 0.00 0.47 -3.20 -0.31 0.00 0.00 175.10 172.23 1gft n ASN 75 N -1.11 -0.44 0.23 4.85 5.15 -1.21 -3.93 115.26 118.80 1gft n ASN 75 Ca -0.09 -2.60 0.06 0.00 -0.60 0.00 0.00 54.58 51.35 1gft n ASN 75 Cb 0.66 -0.36 0.54 0.00 -0.53 0.00 0.00 39.78 40.09 1gft n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gft h ALA 76 N 4.74 1.76 -0.00 5.20 0.00 -0.73 -1.67 119.26 128.56 1gft h ALA 76 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gft h ALA 76 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gft h ALA 76 CO 0.39 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1gft n HIS 78 N -1.43 -2.03 -3.93 0.00 -0.00 -0.63 -4.95 115.22 102.25 1gft n HIS 78 Ca 0.08 0.80 -0.09 0.00 -0.00 0.00 0.00 57.72 58.50 1gft n HIS 78 Cb 0.33 -4.30 -0.09 0.00 -0.00 0.00 0.00 29.99 25.93 1gft n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gft s LEU 79 N -6.42 1.83 0.23 2.41 1.43 -1.26 -5.07 118.68 111.83 1gft s LEU 79 Ca 0.14 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1gft s LEU 79 Cb -0.03 0.59 -0.09 0.00 0.03 0.00 0.00 46.19 46.69 1gft s LEU 79 CO 0.80 -0.52 1.04 -0.55 0.23 0.00 0.00 176.35 177.35 1gft s SER 80 N -2.18 7.41 0.55 2.29 0.15 -1.26 -1.07 113.70 119.58 1gft s SER 80 Ca -0.04 2.09 0.34 0.00 0.70 0.00 0.00 55.95 59.04 1gft s SER 80 Cb -0.01 -2.61 1.86 0.00 -1.71 0.00 0.00 66.02 63.55 1gft s SER 80 CO -0.05 -0.06 2.04 0.00 1.20 0.00 0.00 173.24 176.37 1gft h SER 82 N 0.00 1.00 -0.05 0.00 0.87 -1.90 -1.69 113.55 111.78 1gft h SER 82 Ca 0.00 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1gft h SER 82 Cb 0.13 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1gft h SER 82 CO 0.00 0.70 0.13 0.00 -0.53 0.00 0.00 176.83 177.13 1gft h ALA 83 N 1.36 1.36 -0.13 6.23 0.00 -1.39 0.14 119.26 126.83 1gft h ALA 83 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1gft h ALA 83 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gft h ALA 83 CO -0.10 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1gft n LEU 84 N -3.33 1.27 -0.35 0.00 4.77 -0.64 -3.50 117.00 115.23 1gft n LEU 84 Ca -0.02 -0.53 0.04 0.00 -0.03 0.00 0.00 56.01 55.47 1gft n LEU 84 Cb 0.21 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1gft n LEU 84 CO 0.21 0.27 0.58 0.18 -1.33 0.00 0.00 177.39 177.30 1gft n LEU 85 N 0.06 2.57 -4.85 2.23 4.77 0.49 -3.39 117.00 118.90 1gft n LEU 85 Ca 0.15 -2.18 -0.32 0.00 -0.03 0.00 0.00 56.01 53.64 1gft n LEU 85 Cb 0.26 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gft n LEU 85 CO 0.12 0.63 0.70 -1.10 -1.33 0.00 0.00 177.39 176.41 1gft s GLN 86 N -1.31 3.65 0.22 3.23 -0.21 -1.23 -4.64 119.66 119.38 1gft s GLN 86 Ca 0.16 0.91 -0.03 0.00 0.02 0.00 0.00 55.36 56.41 1gft s GLN 86 Cb 0.10 -2.09 0.22 0.00 1.00 0.00 0.00 33.01 32.24 1gft s GLN 86 CO 0.07 -0.52 1.64 -0.44 -2.12 0.00 0.00 175.29 173.92 1gft h ASP 87 N 0.25 0.73 -3.27 5.90 5.19 -1.93 -3.40 116.42 119.89 1gft h ASP 87 Ca -0.45 -0.26 -0.57 0.00 -0.62 0.00 0.00 57.03 55.12 1gft h ASP 87 Cb 1.19 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.44 1gft h ASP 87 CO 0.61 0.95 0.89 0.21 -3.12 0.00 0.00 179.24 178.77 1gft s ASN 88 N -6.77 6.85 -0.02 6.45 3.84 -1.26 -4.88 114.94 119.15 1gft s ASN 88 Ca -0.09 1.09 0.07 0.00 0.21 0.00 0.00 52.86 54.14 1gft s ASN 88 Cb 0.13 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.52 1gft s ASN 88 CO 0.83 -0.95 1.13 2.30 -2.79 0.00 0.00 177.10 177.62 1gft n ILE 89 N 5.99 0.46 -0.10 -5.21 -5.35 -1.26 -4.39 119.36 109.50 1gft n ILE 89 Ca 0.13 -0.36 -0.06 0.00 -0.27 0.00 0.00 62.75 62.19 1gft n ILE 89 Cb 0.47 0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.42 1gft n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gft h ALA 90 N 3.29 0.33 -0.65 -1.28 0.00 -1.94 0.11 119.26 119.13 1gft h ALA 90 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1gft h ALA 90 Cb 0.47 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1gft h ALA 90 CO 0.03 -0.37 0.15 -0.44 0.00 0.00 0.00 179.25 178.62 1gft h ASP 91 N 0.13 0.97 -0.63 0.00 3.45 -1.85 -0.84 116.42 117.65 1gft h ASP 91 Ca 0.16 -0.20 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 1gft h ASP 91 Cb 0.21 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1gft h ASP 91 CO -0.25 0.94 0.12 0.00 -1.57 0.00 0.00 179.24 178.49 1gft h ALA 92 N 1.18 0.98 -0.45 3.45 0.00 -1.64 -1.38 119.26 121.40 1gft h ALA 92 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1gft h ALA 92 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gft h ALA 92 CO 0.00 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.25 1gft h VAL 93 N 0.99 1.25 -0.92 0.00 2.07 -0.44 0.19 116.25 119.39 1gft h VAL 93 Ca 0.20 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1gft h VAL 93 Cb 0.40 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1gft h VAL 93 CO 0.01 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.50 1gft h ALA 94 N 0.94 1.28 -0.18 1.67 0.00 -0.92 0.98 119.26 123.03 1gft h ALA 94 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1gft h ALA 94 Cb 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gft h ALA 94 CO 0.01 0.63 -0.67 0.00 0.00 0.00 0.00 179.25 179.22 1gft h ALA 96 N 0.72 1.24 -0.48 0.00 0.00 -0.07 0.20 119.26 120.88 1gft h ALA 96 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1gft h ALA 96 Cb 1.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1gft h ALA 96 CO 0.14 0.61 0.17 0.87 0.00 0.00 0.00 179.25 181.03 1gft h LYS 97 N 1.12 0.73 -0.91 0.00 1.57 -0.68 -2.28 116.57 116.11 1gft h LYS 97 Ca 0.28 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1gft h LYS 97 Cb 0.05 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1gft h LYS 97 CO -0.04 0.67 0.60 -0.09 -0.57 0.00 0.00 179.45 180.02 1gft h ARG 98 N 0.63 1.19 -0.29 3.15 9.65 -0.57 -2.31 114.38 125.84 1gft h ARG 98 Ca 0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1gft h ARG 98 Cb 0.23 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1gft h ARG 98 CO -0.01 0.79 0.19 0.28 2.80 0.00 0.00 179.97 184.02 1gft h VAL 99 N 1.23 1.09 0.00 0.20 2.07 -0.62 -2.81 116.25 117.41 1gft h VAL 99 Ca 0.34 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gft h VAL 99 Cb -0.13 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1gft h VAL 99 CO -0.08 0.08 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1gft n VAL 100 N -4.87 0.66 0.56 2.57 0.24 -0.89 -2.35 118.33 114.24 1gft n VAL 100 Ca -0.02 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.52 1gft n VAL 100 Cb 0.03 -0.85 0.45 0.00 -1.47 0.00 0.00 33.84 32.00 1gft n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gft n ARG 101 N -1.70 0.13 -2.05 7.34 1.74 -0.90 -3.92 116.66 117.30 1gft n ARG 101 Ca 0.04 0.28 -0.32 0.00 -0.77 0.00 0.00 57.85 57.08 1gft n ARG 101 Cb 0.25 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1gft n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gft s ASP 102 N -3.81 6.16 0.17 0.55 -0.00 -0.99 -4.93 116.67 113.82 1gft s ASP 102 Ca 0.08 1.58 -0.11 0.00 -0.00 0.00 0.00 52.55 54.09 1gft s ASP 102 Cb 0.11 -2.50 0.20 0.00 -0.00 0.00 0.00 42.92 40.74 1gft s ASP 102 CO 0.42 -0.91 1.12 -2.65 -0.00 0.00 0.00 175.17 173.15 1gft n PRO 103 N -2.25 -0.15 0.27 8.23 -0.02 -1.26 -0.77 135.00 139.06 1gft n PRO 103 Ca 0.07 1.11 0.13 0.00 -2.02 0.00 0.00 63.50 62.79 1gft n PRO 103 Cb 0.54 -1.65 0.78 0.00 -0.02 0.00 0.00 33.50 33.15 1gft n PRO 103 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1gft h GLN 104 N 0.00 0.00 0.00 -0.52 4.20 -1.91 -3.48 115.11 113.39 1gft h GLN 104 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1gft h GLN 104 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1gft h GLN 104 CO -0.72 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 177.93 1gft n GLY 105 N -0.94 1.95 0.00 3.46 0.00 0.05 -2.12 105.19 107.59 1gft n GLY 105 Ca -0.02 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1gft n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1gft n ILE 106 N 0.00 0.44 0.46 -0.61 3.06 -1.26 -2.72 119.36 118.72 1gft n ILE 106 Ca 0.00 0.11 0.06 0.00 -2.50 0.00 0.00 62.75 60.42 1gft n ILE 106 Cb 0.00 -0.75 0.28 0.00 0.54 0.00 0.00 39.64 39.71 1gft n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1gft n ARG 107 N -1.38 0.02 0.00 9.51 1.74 -0.90 -2.35 116.66 123.31 1gft n ARG 107 Ca 0.08 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 1gft n ARG 107 Cb 0.20 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.69 1gft n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gft h ALA 108 N 2.46 2.06 -2.13 7.54 0.00 -1.70 -3.37 119.26 124.12 1gft h ALA 108 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1gft h ALA 108 Cb 0.21 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 1gft h ALA 108 CO 0.00 -0.16 0.20 -1.58 0.00 0.00 0.00 179.25 177.71 1gft s TRP 109 N -5.28 3.04 0.29 0.00 0.51 -0.99 -4.93 118.94 111.57 1gft s TRP 109 Ca -0.07 -0.02 0.03 0.00 -2.12 0.00 0.00 56.10 53.92 1gft s TRP 109 Cb 0.19 -3.47 0.67 0.00 -0.81 0.00 0.00 33.47 30.05 1gft s TRP 109 CO 0.73 -0.93 1.75 -0.92 -0.51 0.00 0.00 176.95 177.07 1gft h TYR 110 N 8.93 0.85 -0.08 -1.98 -0.00 -1.88 0.10 116.97 122.91 1gft h TYR 110 Ca -0.25 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.48 1gft h TYR 110 Cb 1.09 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 37.58 1gft h TYR 110 CO 0.75 0.13 -0.11 0.00 -0.00 0.00 0.00 178.16 178.93 1gft h ALA 111 N 1.63 1.66 -0.13 1.82 0.00 -1.93 -0.69 119.26 121.63 1gft h ALA 111 Ca 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1gft h ALA 111 Cb 0.87 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gft h ALA 111 CO -0.42 0.25 -0.15 2.35 0.00 0.00 0.00 179.25 181.28 1gft h TRP 112 N 0.12 0.40 -0.80 0.00 7.01 -1.11 0.13 115.95 121.69 1gft h TRP 112 Ca 0.03 -0.13 0.03 0.00 2.11 0.00 0.00 58.89 60.93 1gft h TRP 112 Cb 0.28 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1gft h TRP 112 CO 0.00 0.75 0.51 0.00 -2.79 0.00 0.00 178.44 176.92 1gft h ARG 113 N -0.07 0.97 0.13 2.65 3.08 -1.02 0.12 114.38 120.24 1gft h ARG 113 Ca 0.02 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.71 1gft h ARG 113 Cb 0.70 -0.22 0.03 0.00 0.08 0.00 0.00 29.97 30.56 1gft h ARG 113 CO 0.04 0.64 -1.25 -0.91 -1.07 0.00 0.00 179.97 177.42 1gft h ASN 114 N 1.00 0.79 -0.00 7.04 2.35 -1.09 -3.34 115.58 122.33 1gft h ASN 114 Ca 0.32 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1gft h ASN 114 Cb 0.01 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1gft h ASN 114 CO -0.11 1.56 -0.38 0.54 -1.65 0.00 0.00 177.43 177.39 1gft n ARG 115 N -3.75 2.53 0.00 0.81 1.74 0.44 -4.80 116.66 113.63 1gft n ARG 115 Ca -0.13 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 1gft n ARG 115 Cb 0.99 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1gft n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gft n GLN 117 N -1.94 2.08 -3.92 0.00 7.27 0.10 -2.08 117.38 118.89 1gft n GLN 117 Ca 0.00 0.75 -0.30 0.00 0.07 0.00 0.00 57.00 57.53 1gft n GLN 117 Cb 0.31 -2.52 0.02 0.00 2.41 0.00 0.00 30.24 30.45 1gft n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gft n ASN 118 N 3.73 -4.06 -4.55 1.69 5.03 -1.26 -4.96 115.26 110.88 1gft n ASN 118 Ca 0.18 -0.82 -0.26 0.00 0.87 0.00 0.00 54.58 54.55 1gft n ASN 118 Cb 0.28 -3.76 -0.11 0.00 -1.02 0.00 0.00 39.78 35.18 1gft n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gft s ARG 119 N -6.58 1.82 -0.77 3.52 1.81 -0.88 -5.07 118.95 112.80 1gft s ARG 119 Ca 0.57 -1.98 -0.20 0.00 -1.72 0.00 0.00 55.73 52.40 1gft s ARG 119 Cb -0.29 -1.56 0.10 0.00 -0.45 0.00 0.00 34.95 32.75 1gft s ARG 119 CO 0.84 0.04 1.00 0.34 -0.68 0.00 0.00 175.30 176.84 1gft s ASP 120 N -3.62 6.37 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.46 1gft s ASP 120 Ca 0.33 -1.51 0.20 0.00 -0.52 0.00 0.00 52.55 51.05 1gft s ASP 120 Cb 0.06 -2.39 0.55 0.00 -1.46 0.00 0.00 42.92 39.68 1gft s ASP 120 CO 0.16 -1.23 1.45 1.33 0.52 0.00 0.00 175.17 177.40 1gft n VAL 121 N 5.67 0.43 -0.33 1.11 0.24 -1.26 -4.48 118.33 119.72 1gft n VAL 121 Ca 0.07 -0.58 0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1gft n VAL 121 Cb 0.47 0.59 0.32 0.00 -1.47 0.00 0.00 33.84 33.75 1gft n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gft h ARG 122 N 3.24 0.57 0.00 7.34 3.08 -1.93 -1.01 114.38 125.67 1gft h ARG 122 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1gft h ARG 122 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1gft h ARG 122 CO 0.00 0.38 0.21 -0.56 -1.07 0.00 0.00 179.97 178.93 1gft h GLN 123 N 0.59 0.00 0.00 0.04 3.07 -1.96 -1.26 115.11 115.58 1gft h GLN 123 Ca 0.57 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.20 1gft h GLN 123 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.55 1gft h GLN 123 CO -0.45 0.00 -0.53 1.88 0.09 0.00 0.00 178.83 179.82 1gft h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.52 -3.33 116.97 112.23 1gft h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1gft h TYR 124 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1gft h TYR 124 CO 0.00 0.53 0.00 1.33 -1.05 0.00 0.00 178.16 178.97 1gft n VAL 125 N -3.40 0.00 -2.07 -2.88 0.24 -0.53 -4.80 118.33 104.89 1gft n VAL 125 Ca 0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1gft n VAL 125 Cb 0.67 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 34.03 1gft n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gft s GLN 126 N -0.11 4.29 0.00 7.34 -1.52 -0.90 -2.24 119.66 126.51 1gft s GLN 126 Ca 0.02 2.21 0.00 0.00 -1.95 0.00 0.00 55.36 55.64 1gft s GLN 126 Cb 0.01 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 1gft s GLN 126 CO 0.02 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.01 1gft n GLY 127 N 3.07 2.19 0.06 3.09 0.00 -1.26 -4.91 105.19 107.43 1gft n GLY 127 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1gft n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gft n GLY 129 N 1.39 0.04 0.14 0.00 0.00 -1.26 -4.82 105.19 100.68 1gft n GLY 129 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1gft n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65