#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfg s ARG 2 N 0.00 2.45 0.65 1.64 3.52 -1.26 -0.92 118.95 125.03 1gfg s ARG 2 Ca 0.00 -1.39 -0.17 0.00 -0.13 0.00 0.00 55.73 54.04 1gfg s ARG 2 Cb 0.00 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1gfg s ARG 2 CO 0.00 -0.80 1.18 -0.06 -0.81 0.00 0.00 175.30 174.81 1gfg s PHE 3 N 1.32 2.34 0.28 5.12 0.08 -0.40 -4.99 117.98 121.74 1gfg s PHE 3 Ca 0.01 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1gfg s PHE 3 Cb -0.21 -3.41 -0.07 0.00 -0.57 0.00 0.00 43.02 38.76 1gfg s PHE 3 CO 0.00 -2.21 0.60 -1.21 -0.10 0.00 0.00 175.22 172.31 1gfg s GLU 4 N -3.66 3.77 0.04 0.44 2.02 -1.26 -4.86 118.70 115.20 1gfg s GLU 4 Ca 0.74 0.27 -0.09 0.00 0.02 0.00 0.00 54.97 55.91 1gfg s GLU 4 Cb -0.28 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1gfg s GLU 4 CO 0.38 0.22 1.15 -0.09 0.02 0.00 0.00 175.26 176.94 1gfg h ARG 5 N 2.08 -0.06 -0.14 1.61 2.43 -1.96 -1.36 114.38 116.99 1gfg h ARG 5 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1gfg h ARG 5 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1gfg h ARG 5 CO 0.67 -0.04 -0.21 0.00 -1.51 0.00 0.00 179.97 178.88 1gfg h GLU 7 N 0.21 0.65 -0.28 0.00 4.81 -1.87 -1.99 114.58 116.11 1gfg h GLU 7 Ca 0.04 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1gfg h GLU 7 Cb 0.49 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1gfg h GLU 7 CO 0.03 0.43 -0.32 1.25 -0.73 0.00 0.00 179.01 179.67 1gfg h LEU 8 N 0.67 0.77 -0.75 1.64 5.85 -0.69 -2.12 115.31 120.69 1gfg h LEU 8 Ca 0.25 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1gfg h LEU 8 Cb 0.07 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 1gfg h LEU 8 CO -0.13 1.10 0.39 0.00 -0.34 0.00 0.00 178.44 179.47 1gfg h ALA 9 N 0.69 1.05 -0.14 1.25 0.00 -0.86 0.22 119.26 121.47 1gfg h ALA 9 Ca 0.04 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1gfg h ALA 9 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gfg h ALA 9 CO 0.08 -0.02 -0.67 0.00 0.00 0.00 0.00 179.25 178.64 1gfg h ARG 10 N 0.65 0.56 -0.33 0.00 3.08 -1.37 -1.56 114.38 115.42 1gfg h ARG 10 Ca 0.37 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1gfg h ARG 10 Cb 0.39 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1gfg h ARG 10 CO -0.27 1.04 0.21 1.15 -1.07 0.00 0.00 179.97 181.03 1gfg h THR 11 N 0.40 1.09 -0.53 2.04 2.02 -0.58 0.27 112.91 117.63 1gfg h THR 11 Ca -0.02 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1gfg h THR 11 Cb 1.25 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1gfg h THR 11 CO 0.13 0.09 0.11 -0.07 0.37 0.00 0.00 175.52 176.15 1gfg h LEU 12 N 0.44 0.82 -0.65 2.58 3.38 -0.55 -2.36 115.31 118.98 1gfg h LEU 12 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gfg h LEU 12 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1gfg h LEU 12 CO -0.03 0.86 0.40 0.50 0.09 0.00 0.00 178.44 180.26 1gfg h LYS 13 N 0.76 0.88 0.00 1.13 3.64 -1.00 -1.77 116.57 120.21 1gfg h LYS 13 Ca 0.16 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1gfg h LYS 13 Cb 0.37 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1gfg h LYS 13 CO 0.01 0.62 -0.21 0.00 -2.27 0.00 0.00 179.45 177.59 1gfg h ARG 14 N 0.88 0.00 -0.09 1.90 3.08 -0.77 -2.22 114.38 117.17 1gfg h ARG 14 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1gfg h ARG 14 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1gfg h ARG 14 CO -0.05 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 1gfg n LEU 15 N -4.27 0.74 0.00 3.04 4.77 -0.72 -4.90 117.00 115.66 1gfg n LEU 15 Ca -0.02 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1gfg n LEU 15 Cb 0.27 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1gfg n LEU 15 CO 0.37 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1gfg n GLY 16 N 0.89 0.56 0.12 -0.72 0.00 -0.83 -4.99 105.19 100.23 1gfg n GLY 16 Ca 0.13 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.35 1gfg n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gfg h MET 17 N 0.00 0.00 -5.99 1.61 2.86 -1.59 -3.40 114.93 108.41 1gfg h MET 17 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1gfg h MET 17 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1gfg h MET 17 CO 0.00 0.36 1.41 0.34 1.06 0.00 0.00 176.91 180.08 1gfg s ASP 18 N -6.10 5.31 0.00 1.22 2.15 -1.26 -1.72 116.67 116.27 1gfg s ASP 18 Ca 0.01 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.03 1gfg s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1gfg s ASP 18 CO 0.77 -2.22 0.00 0.61 -0.17 0.00 0.00 175.17 174.16 1gfg n GLY 19 N 5.69 0.59 3.66 2.66 0.00 0.12 -4.89 105.19 113.01 1gfg n GLY 19 Ca 0.26 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1gfg n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gfg s TYR 20 N -2.00 1.65 -1.47 1.61 5.04 -0.70 -1.51 117.35 119.97 1gfg s TYR 20 Ca 0.00 -0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.47 1gfg s TYR 20 Cb 0.00 -4.06 0.06 0.00 0.35 0.00 0.00 41.96 38.31 1gfg s TYR 20 CO 0.00 -4.56 0.85 0.54 -1.34 0.00 0.00 175.55 171.04 1gfg n ARG 21 N 7.41 -5.35 -0.94 4.97 5.12 -1.26 -1.73 116.66 124.88 1gfg n ARG 21 Ca 0.19 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1gfg n ARG 21 Cb 0.42 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1gfg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gfg n GLY 22 N -1.61 0.85 3.56 -0.13 0.00 -0.57 -4.99 105.19 102.30 1gfg n GLY 22 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gfg n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gfg s ILE 23 N -3.36 5.19 0.75 -0.61 1.01 -0.70 -4.89 121.20 118.59 1gfg s ILE 23 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1gfg s ILE 23 Cb 0.00 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.75 1gfg s ILE 23 CO 0.00 -0.01 1.12 -0.94 0.00 0.00 0.00 174.94 175.11 1gfg s SER 24 N 1.72 4.43 0.26 3.58 1.04 -1.26 0.11 113.70 123.57 1gfg s SER 24 Ca 0.11 2.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 1gfg s SER 24 Cb -0.16 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 63.77 1gfg s SER 24 CO 0.11 -2.09 1.89 0.25 0.98 0.00 0.00 173.24 174.38 1gfg h LEU 25 N -0.74 1.03 -1.21 2.42 5.85 -1.90 -1.57 115.31 119.17 1gfg h LEU 25 Ca -0.45 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1gfg h LEU 25 Cb 1.25 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1gfg h LEU 25 CO 0.51 0.68 0.55 0.00 -0.34 0.00 0.00 178.44 179.84 1gfg h ALA 26 N 1.42 1.56 -0.54 1.25 0.00 -1.91 -0.11 119.26 120.93 1gfg h ALA 26 Ca 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1gfg h ALA 26 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1gfg h ALA 26 CO -0.15 0.32 -0.05 -0.91 0.00 0.00 0.00 179.25 178.46 1gfg h ASN 27 N 0.96 0.96 -0.43 0.00 2.35 -1.61 -0.34 115.58 117.47 1gfg h ASN 27 Ca 0.36 -0.28 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1gfg h ASN 27 Cb 0.19 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1gfg h ASN 27 CO -0.13 1.04 -0.20 -0.50 -1.65 0.00 0.00 177.43 176.00 1gfg h TRP 28 N 0.88 1.06 -0.24 1.19 4.06 -1.11 -0.67 115.95 121.12 1gfg h TRP 28 Ca 0.15 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1gfg h TRP 28 Cb 0.59 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1gfg h TRP 28 CO 0.04 1.04 0.10 0.52 -3.56 0.00 0.00 178.44 176.57 1gfg h MET 29 N 0.81 0.35 -0.66 0.49 2.86 -0.89 -1.25 114.93 116.64 1gfg h MET 29 Ca 0.11 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1gfg h MET 29 Cb 0.76 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1gfg h MET 29 CO 0.06 0.40 0.44 0.00 1.06 0.00 0.00 176.91 178.87 1gfg h LEU 31 N 0.87 -0.36 -0.97 0.00 5.85 -0.83 -2.37 115.31 117.49 1gfg h LEU 31 Ca 0.25 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1gfg h LEU 31 Cb -0.05 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1gfg h LEU 31 CO -0.06 -0.08 0.64 0.00 -0.34 0.00 0.00 178.44 178.60 1gfg h ALA 32 N -0.06 1.24 0.11 1.25 0.00 -0.92 0.14 119.26 121.03 1gfg h ALA 32 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gfg h ALA 32 Cb 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gfg h ALA 32 CO 0.07 0.60 -0.10 -0.22 0.00 0.00 0.00 179.25 179.60 1gfg h LYS 33 N 1.29 -0.21 0.00 0.00 1.63 -0.89 -1.10 116.57 117.29 1gfg h LYS 33 Ca 0.36 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.07 1gfg h LYS 33 Cb -0.11 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1gfg h LYS 33 CO -0.09 -0.14 -0.51 -1.49 -3.45 0.00 0.00 179.45 173.77 1gfg h TRP 34 N -0.22 0.00 0.00 1.91 4.06 -1.16 -1.49 115.95 119.05 1gfg h TRP 34 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1gfg h TRP 34 Cb 0.21 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1gfg h TRP 34 CO -0.11 0.51 -0.38 0.93 -3.56 0.00 0.00 178.44 175.84 1gfg h GLU 35 N 0.00 0.25 0.00 0.49 4.39 -0.61 -3.42 114.58 115.68 1gfg h GLU 35 Ca -0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1gfg h GLU 35 Cb 1.29 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1gfg h GLU 35 CO 0.07 0.99 0.00 -1.13 -1.16 0.00 0.00 179.01 177.78 1gfg n SER 36 N -4.40 0.13 -1.28 1.42 3.41 -0.47 -4.80 113.62 107.62 1gfg n SER 36 Ca -0.10 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.68 1gfg n SER 36 Cb 0.57 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1gfg n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gfg n GLY 37 N 0.06 -0.05 2.24 5.00 0.00 -0.56 -2.69 105.19 109.19 1gfg n GLY 37 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1gfg n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gfg n TYR 38 N -3.96 -0.13 -3.53 1.61 0.53 -1.14 -4.79 117.16 105.74 1gfg n TYR 38 Ca -0.13 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.34 1gfg n TYR 38 Cb 0.59 -1.95 -0.11 0.00 -1.03 0.00 0.00 39.34 36.84 1gfg n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gfg s ASN 39 N -2.81 6.00 0.50 7.72 2.47 -1.09 -1.28 114.94 126.44 1gfg s ASN 39 Ca 0.00 -0.57 0.27 0.00 0.42 0.00 0.00 52.86 52.98 1gfg s ASN 39 Cb 0.00 -2.12 1.27 0.00 -1.45 0.00 0.00 41.25 38.95 1gfg s ASN 39 CO 0.00 -0.29 1.98 0.71 -3.72 0.00 0.00 177.10 175.79 1gfg h THR 40 N 5.56 0.53 -0.32 -5.21 1.35 -1.34 -2.90 112.91 110.58 1gfg h THR 40 Ca -0.30 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1gfg h THR 40 Cb 1.15 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1gfg h THR 40 CO 0.65 0.15 0.00 0.54 -0.25 0.00 0.00 175.52 176.62 1gfg n ARG 41 N -3.51 2.05 -1.91 4.72 1.74 -1.26 -4.02 116.66 114.47 1gfg n ARG 41 Ca -0.01 -1.60 -0.41 0.00 -0.77 0.00 0.00 57.85 55.06 1gfg n ARG 41 Cb 0.31 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1gfg n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfg s ALA 42 N -1.58 3.61 -0.08 7.54 0.00 -1.10 -4.82 121.76 125.33 1gfg s ALA 42 Ca 0.34 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 1gfg s ALA 42 Cb 0.19 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1gfg s ALA 42 CO 0.26 -0.89 0.29 0.95 0.00 0.00 0.00 175.76 176.37 1gfg s THR 43 N -0.65 0.02 -0.09 0.00 -4.23 -1.26 -0.78 115.64 108.66 1gfg s THR 43 Ca 0.56 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1gfg s THR 43 Cb -0.44 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 72.95 1gfg s THR 43 CO 0.54 -0.11 0.03 0.21 -0.54 0.00 0.00 174.62 174.75 1gfg s ASN 44 N -0.40 1.73 0.03 3.99 2.47 -0.56 -4.95 114.94 117.26 1gfg s ASN 44 Ca -0.05 -0.20 -0.26 0.00 0.42 0.00 0.00 52.86 52.78 1gfg s ASN 44 Cb -0.03 -0.37 -0.05 0.00 -1.45 0.00 0.00 41.25 39.35 1gfg s ASN 44 CO 0.02 -0.24 0.79 -0.47 -3.72 0.00 0.00 177.10 173.48 1gfg s TYR 45 N 2.02 3.72 -0.54 0.43 6.04 -1.26 -0.39 117.35 127.37 1gfg s TYR 45 Ca 0.04 1.49 -0.06 0.00 0.04 0.00 0.00 57.07 58.58 1gfg s TYR 45 Cb -0.13 -2.86 0.14 0.00 -1.04 0.00 0.00 41.96 38.07 1gfg s TYR 45 CO -0.05 0.22 0.39 -0.80 -1.54 0.00 0.00 175.55 173.77 1gfg s ASN 46 N 0.13 5.58 0.51 4.32 0.01 0.11 -4.95 114.94 120.64 1gfg s ASN 46 Ca 0.40 -2.31 0.17 0.00 -0.71 0.00 0.00 52.86 50.41 1gfg s ASN 46 Cb -0.20 -1.94 1.26 0.00 0.41 0.00 0.00 41.25 40.77 1gfg s ASN 46 CO 0.23 -0.55 2.12 0.00 -1.51 0.00 0.00 177.10 177.39 1gfg h ALA 47 N 7.86 1.85 -0.43 0.60 0.00 -1.96 0.20 119.26 127.38 1gfg h ALA 47 Ca -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1gfg h ALA 47 Cb 1.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1gfg h ALA 47 CO 0.77 0.07 0.20 0.78 0.00 0.00 0.00 179.25 181.07 1gfg h GLY 48 N 0.17 0.66 -0.64 0.00 0.00 -1.95 -3.23 103.07 98.09 1gfg h GLY 48 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1gfg h GLY 48 CO 0.01 0.31 0.00 2.09 0.00 0.00 0.00 176.54 178.95 1gfg n ASP 49 N -4.67 2.51 -3.82 0.19 5.75 -1.16 -5.01 116.55 110.35 1gfg n ASP 49 Ca 0.01 -2.09 -0.28 0.00 -0.01 0.00 0.00 54.79 52.41 1gfg n ASP 49 Cb 0.11 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 1gfg n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gfg n ARG 50 N -0.09 -6.28 -4.48 0.11 1.74 0.05 -4.80 116.66 102.92 1gfg n ARG 50 Ca 0.07 0.67 -0.26 0.00 -0.77 0.00 0.00 57.85 57.56 1gfg n ARG 50 Cb 0.37 -5.61 -0.10 0.00 -1.02 0.00 0.00 32.46 26.11 1gfg n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gfg s SER 51 N -3.32 3.91 0.00 0.55 1.04 -1.15 -4.39 113.70 110.34 1gfg s SER 51 Ca 0.64 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1gfg s SER 51 Cb -0.31 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 1gfg s SER 51 CO 0.80 -0.26 -0.09 -0.89 0.98 0.00 0.00 173.24 173.78 1gfg s THR 52 N -2.60 0.71 -0.18 2.02 2.01 -1.26 -0.72 115.64 115.62 1gfg s THR 52 Ca 0.34 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 1gfg s THR 52 Cb 0.03 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1gfg s THR 52 CO 0.18 0.13 0.30 -1.81 -0.69 0.00 0.00 174.62 172.73 1gfg s ASP 53 N -0.39 6.39 0.04 3.53 1.01 0.48 -1.32 116.67 126.41 1gfg s ASP 53 Ca 0.02 0.46 0.07 0.00 0.71 0.00 0.00 52.55 53.81 1gfg s ASP 53 Cb -0.04 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1gfg s ASP 53 CO -0.00 0.06 -0.18 -0.31 0.21 0.00 0.00 175.17 174.94 1gfg s TYR 54 N 0.71 2.55 0.00 4.23 2.02 0.27 -1.50 117.35 125.64 1gfg s TYR 54 Ca 0.16 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1gfg s TYR 54 Cb -0.13 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1gfg s TYR 54 CO 0.05 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1gfg n GLY 55 N 1.62 -1.14 0.26 0.71 0.00 0.04 -1.05 105.19 105.63 1gfg n GLY 55 Ca -0.16 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.76 1gfg n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfg h ILE 56 N 0.00 0.98 -0.21 -0.61 2.10 -1.69 -1.63 117.51 116.45 1gfg h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1gfg h ILE 56 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1gfg h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1gfg n PHE 57 N -4.50 0.25 -3.78 2.19 0.99 -1.26 -3.88 117.46 107.48 1gfg n PHE 57 Ca -0.03 -0.15 -0.33 0.00 -0.00 0.00 0.00 57.45 56.94 1gfg n PHE 57 Cb 0.09 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.60 1gfg n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gfg n GLN 58 N 1.18 -0.98 -3.03 -1.08 1.13 -0.61 -4.91 117.38 109.08 1gfg n GLN 58 Ca 0.14 0.48 -0.40 0.00 -1.94 0.00 0.00 57.00 55.29 1gfg n GLN 58 Cb 0.52 -3.36 -0.05 0.00 0.11 0.00 0.00 30.24 27.46 1gfg n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gfg s ILE 59 N -3.35 4.98 0.10 5.09 1.01 -0.22 -4.47 121.20 124.35 1gfg s ILE 59 Ca 0.35 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 1gfg s ILE 59 Cb -0.15 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 1gfg s ILE 59 CO 0.90 0.28 0.99 0.21 0.00 0.00 0.00 174.94 177.31 1gfg s ASN 60 N 0.60 7.44 0.36 3.58 3.84 -1.26 -0.56 114.94 128.94 1gfg s ASN 60 Ca 0.38 1.82 0.27 0.00 0.21 0.00 0.00 52.86 55.54 1gfg s ASN 60 Cb -0.18 -2.59 1.18 0.00 -0.55 0.00 0.00 41.25 39.11 1gfg s ASN 60 CO 0.19 -0.12 1.81 0.77 -2.79 0.00 0.00 177.10 176.96 1gfg h SER 61 N 5.72 0.00 0.03 -4.21 4.64 -1.44 -1.92 113.55 116.37 1gfg h SER 61 Ca -0.43 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.81 1gfg h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gfg h SER 61 CO 0.73 0.00 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.35 1gfg h ARG 62 N 0.00 0.36 0.00 4.77 2.43 -1.83 -3.40 114.38 116.71 1gfg h ARG 62 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1gfg h ARG 62 Cb 0.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gfg h ARG 62 CO 0.00 0.59 -0.89 0.66 -1.51 0.00 0.00 179.97 178.82 1gfg n TYR 63 N -4.14 0.00 -0.06 2.20 4.01 -1.15 0.22 117.16 118.23 1gfg n TYR 63 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1gfg n TYR 63 Cb 0.38 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.27 1gfg n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gfg n TRP 64 N -2.15 0.54 -4.16 -0.72 7.02 -0.73 -0.76 117.44 116.47 1gfg n TRP 64 Ca 0.00 0.15 -0.10 0.00 -1.02 0.00 0.00 57.50 56.52 1gfg n TRP 64 Cb 0.44 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.15 1gfg n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gfg s ASN 66 N -2.97 5.88 0.00 0.00 2.47 -0.18 -4.53 114.94 115.61 1gfg s ASN 66 Ca 0.11 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1gfg s ASN 66 Cb 0.05 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1gfg s ASN 66 CO -0.05 0.13 0.63 -0.90 -3.72 0.00 0.00 177.10 173.19 1gfg n ASP 67 N 3.81 1.22 0.00 -4.21 5.75 -1.26 -1.05 116.55 120.80 1gfg n ASP 67 Ca -0.16 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1gfg n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gfg n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gfg n GLY 68 N -0.16 0.11 0.08 6.12 0.00 -1.26 -4.76 105.19 105.32 1gfg n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1gfg n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gfg n LYS 69 N -0.69 1.31 -3.78 1.61 2.85 -1.26 -5.00 118.16 113.20 1gfg n LYS 69 Ca 0.00 -1.27 -0.37 0.00 -1.05 0.00 0.00 58.31 55.62 1gfg n LYS 69 Cb 0.23 -0.84 -0.13 0.00 -0.65 0.00 0.00 35.03 33.64 1gfg n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gfg s THR 70 N -0.82 3.83 0.04 0.58 2.01 -1.26 -4.91 115.64 115.10 1gfg s THR 70 Ca 0.05 -0.79 -0.35 0.00 0.31 0.00 0.00 61.69 60.91 1gfg s THR 70 Cb 0.04 -3.00 -0.14 0.00 0.01 0.00 0.00 72.50 69.42 1gfg s THR 70 CO 0.00 0.05 1.67 -2.65 -0.69 0.00 0.00 174.62 173.00 1gfg n PRO 71 N 4.84 2.01 -1.98 4.92 -0.02 -1.26 -2.39 135.00 141.12 1gfg n PRO 71 Ca -0.14 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 61.88 1gfg n PRO 71 Cb 0.47 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1gfg n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gfg n GLY 72 N 3.71 0.65 3.87 -1.23 0.00 -1.26 -4.96 105.19 105.97 1gfg n GLY 72 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1gfg n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfg s ALA 73 N -2.76 3.05 0.45 4.61 0.00 -1.00 -5.04 121.76 121.06 1gfg s ALA 73 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1gfg s ALA 73 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1gfg s ALA 73 CO 0.00 -0.79 0.13 0.14 0.00 0.00 0.00 175.76 175.24 1gfg s VAL 74 N -3.21 1.86 -0.49 0.00 -7.23 0.13 -4.99 120.40 106.48 1gfg s VAL 74 Ca 0.56 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.97 1gfg s VAL 74 Cb -0.11 -2.67 0.21 0.00 0.56 0.00 0.00 36.38 34.37 1gfg s VAL 74 CO 0.54 0.00 0.50 -3.20 -0.31 0.00 0.00 175.10 172.62 1gfg n ASN 75 N -1.25 1.00 0.12 4.85 5.15 -1.22 -3.86 115.26 120.04 1gfg n ASN 75 Ca -0.07 -2.79 0.01 0.00 -0.60 0.00 0.00 54.58 51.12 1gfg n ASN 75 Cb 0.66 -0.63 0.31 0.00 -0.53 0.00 0.00 39.78 39.59 1gfg n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gfg h ALA 76 N 4.77 1.32 -0.01 5.20 0.00 -0.92 -2.16 119.26 127.45 1gfg h ALA 76 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gfg h ALA 76 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gfg h ALA 76 CO 0.53 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 180.21 1gfg n HIS 78 N -0.35 -1.67 -4.13 0.00 -0.00 -0.81 -4.95 115.22 103.30 1gfg n HIS 78 Ca 0.19 0.75 -0.16 0.00 -0.00 0.00 0.00 57.72 58.50 1gfg n HIS 78 Cb 0.29 -3.74 -0.12 0.00 -0.00 0.00 0.00 29.99 26.42 1gfg n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gfg s LEU 79 N -6.97 2.28 0.29 2.41 1.43 -1.26 -5.06 118.68 111.80 1gfg s LEU 79 Ca 0.04 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 1gfg s LEU 79 Cb -0.02 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 1gfg s LEU 79 CO 0.89 -0.14 0.96 -0.55 0.23 0.00 0.00 176.35 177.74 1gfg s SER 80 N -1.76 7.42 0.58 2.29 0.15 -1.26 -1.01 113.70 120.10 1gfg s SER 80 Ca -0.04 1.92 0.39 0.00 0.70 0.00 0.00 55.95 58.91 1gfg s SER 80 Cb -0.09 -2.59 2.08 0.00 -1.71 0.00 0.00 66.02 63.70 1gfg s SER 80 CO 0.01 -0.01 2.18 0.00 1.20 0.00 0.00 173.24 176.62 1gfg h SER 82 N 0.00 0.79 -0.04 0.00 0.87 -1.91 -1.58 113.55 111.68 1gfg h SER 82 Ca 0.00 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1gfg h SER 82 Cb 0.02 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1gfg h SER 82 CO 0.00 0.58 0.09 0.00 -0.53 0.00 0.00 176.83 176.96 1gfg h ALA 83 N 1.56 1.37 -0.34 6.23 0.00 -1.29 0.30 119.26 127.09 1gfg h ALA 83 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1gfg h ALA 83 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gfg h ALA 83 CO -0.05 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1gfg n LEU 84 N -3.44 2.18 -0.31 0.00 4.77 -0.60 -3.66 117.00 115.95 1gfg n LEU 84 Ca -0.02 -1.03 0.04 0.00 -0.03 0.00 0.00 56.01 54.97 1gfg n LEU 84 Cb 0.17 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1gfg n LEU 84 CO 0.23 0.51 0.57 0.18 -1.33 0.00 0.00 177.39 177.56 1gfg n LEU 85 N 0.67 2.53 -4.86 2.23 4.77 0.10 -2.98 117.00 119.46 1gfg n LEU 85 Ca 0.15 -2.21 -0.31 0.00 -0.03 0.00 0.00 56.01 53.61 1gfg n LEU 85 Cb 0.37 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1gfg n LEU 85 CO 0.11 0.62 0.57 -1.10 -1.33 0.00 0.00 177.39 176.26 1gfg s GLN 86 N -1.37 3.84 0.29 3.23 -0.21 -1.24 -4.57 119.66 119.63 1gfg s GLN 86 Ca 0.15 0.71 0.04 0.00 0.02 0.00 0.00 55.36 56.28 1gfg s GLN 86 Cb 0.10 -2.25 0.44 0.00 1.00 0.00 0.00 33.01 32.31 1gfg s GLN 86 CO 0.07 -0.19 1.72 -0.44 -2.12 0.00 0.00 175.29 174.33 1gfg h ASP 87 N 0.97 0.39 -3.19 5.90 5.19 -1.94 -3.39 116.42 120.35 1gfg h ASP 87 Ca -0.47 -0.14 -0.59 0.00 -0.62 0.00 0.00 57.03 55.21 1gfg h ASP 87 Cb 1.19 -0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.52 1gfg h ASP 87 CO 0.63 0.68 0.64 0.21 -3.12 0.00 0.00 179.24 178.28 1gfg s ASN 88 N -6.84 6.96 0.00 6.45 3.84 -1.26 -4.93 114.94 119.16 1gfg s ASN 88 Ca -0.06 1.19 0.15 0.00 0.21 0.00 0.00 52.86 54.35 1gfg s ASN 88 Cb 0.14 -2.49 0.45 0.00 -0.55 0.00 0.00 41.25 38.80 1gfg s ASN 88 CO 0.78 -0.61 1.36 2.30 -2.79 0.00 0.00 177.10 178.14 1gfg n ILE 89 N 5.32 0.45 -0.17 -5.21 -5.35 -1.26 -4.47 119.36 108.66 1gfg n ILE 89 Ca 0.09 -0.49 -0.02 0.00 -0.27 0.00 0.00 62.75 62.06 1gfg n ILE 89 Cb 0.47 0.31 0.08 0.00 -1.74 0.00 0.00 39.64 38.76 1gfg n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gfg h ALA 90 N 3.83 0.61 -0.66 -1.28 0.00 -1.94 0.11 119.26 119.93 1gfg h ALA 90 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1gfg h ALA 90 Cb 0.53 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1gfg h ALA 90 CO 0.00 -0.29 0.07 -0.44 0.00 0.00 0.00 179.25 178.60 1gfg h ASP 91 N 0.27 1.07 -0.41 0.00 3.45 -1.86 -1.55 116.42 117.39 1gfg h ASP 91 Ca 0.26 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 1gfg h ASP 91 Cb 0.35 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 1gfg h ASP 91 CO -0.33 1.08 0.07 0.00 -1.57 0.00 0.00 179.24 178.50 1gfg h ALA 92 N 1.03 1.23 -0.30 3.45 0.00 -1.53 -1.55 119.26 121.60 1gfg h ALA 92 Ca 0.20 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1gfg h ALA 92 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gfg h ALA 92 CO 0.02 0.52 -0.43 0.28 0.00 0.00 0.00 179.25 179.64 1gfg h VAL 93 N 0.72 1.29 -0.55 0.00 2.07 -0.55 0.77 116.25 119.99 1gfg h VAL 93 Ca 0.15 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 1gfg h VAL 93 Cb 0.33 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1gfg h VAL 93 CO 0.01 0.52 0.18 0.00 0.02 0.00 0.00 177.57 178.29 1gfg h ALA 94 N 0.90 1.27 -0.26 1.67 0.00 -0.85 -0.70 119.26 121.29 1gfg h ALA 94 Ca 0.04 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1gfg h ALA 94 Cb 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1gfg h ALA 94 CO 0.09 0.52 -0.53 0.00 0.00 0.00 0.00 179.25 179.33 1gfg h ALA 96 N 0.65 1.52 -0.43 0.00 0.00 -0.40 0.46 119.26 121.06 1gfg h ALA 96 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1gfg h ALA 96 Cb 1.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gfg h ALA 96 CO 0.12 0.35 -0.29 0.87 0.00 0.00 0.00 179.25 180.29 1gfg h LYS 97 N 0.35 0.96 -0.61 0.00 1.57 -1.04 -2.29 116.57 115.51 1gfg h LYS 97 Ca 0.08 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1gfg h LYS 97 Cb 0.27 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1gfg h LYS 97 CO 0.01 1.12 0.25 -0.09 -0.57 0.00 0.00 179.45 180.18 1gfg h ARG 98 N 0.80 0.91 -0.19 3.15 9.65 -0.61 -2.54 114.38 125.55 1gfg h ARG 98 Ca 0.09 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1gfg h ARG 98 Cb 0.88 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 1gfg h ARG 98 CO 0.08 0.76 0.02 0.28 2.80 0.00 0.00 179.97 183.91 1gfg h VAL 99 N 0.85 0.90 0.00 0.20 2.07 -0.70 -2.40 116.25 117.17 1gfg h VAL 99 Ca 0.21 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1gfg h VAL 99 Cb 0.19 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1gfg h VAL 99 CO -0.02 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1gfg n VAL 100 N -5.11 0.33 1.34 2.57 0.24 -0.88 -2.28 118.33 114.54 1gfg n VAL 100 Ca -0.03 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 1gfg n VAL 100 Cb 0.09 -0.70 0.67 0.00 -1.47 0.00 0.00 33.84 32.43 1gfg n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gfg n ARG 101 N -1.34 0.54 -2.38 7.34 1.74 -0.90 -4.19 116.66 117.48 1gfg n ARG 101 Ca 0.10 0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.95 1gfg n ARG 101 Cb 0.20 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1gfg n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gfg s ASP 102 N -2.32 5.45 0.41 0.55 -0.00 -0.96 -5.00 116.67 114.80 1gfg s ASP 102 Ca 0.30 0.64 0.19 0.00 -0.00 0.00 0.00 52.55 53.68 1gfg s ASP 102 Cb 0.17 -1.58 1.12 0.00 -0.00 0.00 0.00 42.92 42.63 1gfg s ASP 102 CO 0.33 -1.15 1.79 1.55 -0.00 0.00 0.00 175.17 177.69 1gfg h PRO 103 N -0.23 0.37 -0.01 8.23 0.13 -1.88 -2.47 132.00 136.14 1gfg h PRO 103 Ca -0.45 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 1gfg h PRO 103 Cb 1.27 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1gfg h PRO 103 CO 0.60 0.24 -0.74 1.96 -0.23 0.00 0.00 178.00 179.83 1gfg h GLN 104 N 0.38 0.07 0.00 0.86 4.20 -1.91 -3.49 115.11 115.21 1gfg h GLN 104 Ca 0.57 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1gfg h GLN 104 Cb 1.49 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1gfg h GLN 104 CO -0.26 0.78 0.00 0.41 -0.67 0.00 0.00 178.83 179.09 1gfg n GLY 105 N 0.58 0.87 0.24 3.46 0.00 -0.93 -2.77 105.19 106.64 1gfg n GLY 105 Ca -0.02 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.36 1gfg n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gfg h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -1.71 117.51 119.36 1gfg h ILE 106 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1gfg h ILE 106 Cb 0.00 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.08 1gfg h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gfg n ARG 107 N -2.65 0.01 -0.21 2.19 1.74 -1.11 -2.89 116.66 113.74 1gfg n ARG 107 Ca -0.02 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 1gfg n ARG 107 Cb 0.08 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 30.46 1gfg n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gfg h ALA 108 N 2.45 1.96 -2.33 7.54 0.00 -1.50 -3.37 119.26 124.02 1gfg h ALA 108 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.28 1gfg h ALA 108 Cb 0.21 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.76 1gfg h ALA 108 CO 0.00 -0.17 0.09 -1.58 0.00 0.00 0.00 179.25 177.60 1gfg s TRP 109 N -5.54 3.14 0.47 0.00 0.51 -1.14 -4.93 118.94 111.45 1gfg s TRP 109 Ca -0.09 0.24 0.16 0.00 -2.12 0.00 0.00 56.10 54.29 1gfg s TRP 109 Cb 0.21 -3.12 1.15 0.00 -0.81 0.00 0.00 33.47 30.90 1gfg s TRP 109 CO 0.78 -0.65 2.03 0.28 -0.51 0.00 0.00 176.95 178.87 1gfg h VAL 110 N 5.70 0.90 -0.37 4.03 2.07 -1.89 -0.71 116.25 125.97 1gfg h VAL 110 Ca -0.27 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1gfg h VAL 110 Cb 1.11 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1gfg h VAL 110 CO 0.83 0.04 0.05 0.00 0.02 0.00 0.00 177.57 178.51 1gfg h ALA 111 N 1.77 1.38 -0.49 1.67 0.00 -1.93 -0.88 119.26 120.79 1gfg h ALA 111 Ca 0.20 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1gfg h ALA 111 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1gfg h ALA 111 CO -0.04 0.44 0.03 2.35 0.00 0.00 0.00 179.25 182.02 1gfg h TRP 112 N 0.55 0.92 -0.13 0.00 7.01 -1.44 0.82 115.95 123.68 1gfg h TRP 112 Ca 0.12 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1gfg h TRP 112 Cb 0.28 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1gfg h TRP 112 CO 0.01 0.86 0.08 0.00 -2.79 0.00 0.00 178.44 176.60 1gfg h ARG 113 N 0.71 0.18 -0.52 2.65 3.08 -1.21 0.32 114.38 119.59 1gfg h ARG 113 Ca 0.14 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1gfg h ARG 113 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1gfg h ARG 113 CO 0.02 0.16 0.13 -0.91 -1.07 0.00 0.00 179.97 178.30 1gfg h ASN 114 N 0.14 0.79 -0.00 7.04 2.35 -1.05 -3.32 115.58 121.53 1gfg h ASN 114 Ca 0.05 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1gfg h ASN 114 Cb 0.03 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1gfg h ASN 114 CO -0.01 0.81 -0.44 0.54 -1.65 0.00 0.00 177.43 176.68 1gfg n ARG 115 N -4.44 3.52 0.00 0.81 5.12 0.27 -4.84 116.66 117.10 1gfg n ARG 115 Ca 0.02 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1gfg n ARG 115 Cb 0.22 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1gfg n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gfg s GLN 117 N -1.67 4.12 -1.28 0.00 0.74 0.20 -2.27 119.66 119.50 1gfg s GLN 117 Ca 0.00 2.60 -0.07 0.00 0.05 0.00 0.00 55.36 57.94 1gfg s GLN 117 Cb 0.00 -3.06 0.05 0.00 1.10 0.00 0.00 33.01 31.10 1gfg s GLN 117 CO 0.00 -0.73 0.42 0.09 -0.55 0.00 0.00 175.29 174.53 1gfg n ASN 118 N 3.54 -4.12 -4.70 6.67 5.03 -1.26 -4.94 115.26 115.49 1gfg n ASN 118 Ca 0.14 -0.27 -0.29 0.00 0.87 0.00 0.00 54.58 55.03 1gfg n ASN 118 Cb 0.36 -3.41 -0.09 0.00 -1.02 0.00 0.00 39.78 35.62 1gfg n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gfg s ARG 119 N -5.79 2.09 -0.69 3.52 1.81 -0.96 -5.08 118.95 113.84 1gfg s ARG 119 Ca 0.31 -2.14 -0.19 0.00 -1.72 0.00 0.00 55.73 52.00 1gfg s ARG 119 Cb -0.16 -1.70 0.12 0.00 -0.45 0.00 0.00 34.95 32.76 1gfg s ARG 119 CO 0.39 -0.18 0.83 0.34 -0.68 0.00 0.00 175.30 176.00 1gfg s ASP 120 N -3.82 6.34 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.21 1gfg s ASP 120 Ca 0.28 -1.65 0.24 0.00 -0.52 0.00 0.00 52.55 50.90 1gfg s ASP 120 Cb 0.06 -2.32 0.36 0.00 -1.46 0.00 0.00 42.92 39.55 1gfg s ASP 120 CO 0.15 -1.08 1.36 1.33 0.52 0.00 0.00 175.17 177.45 1gfg n VAL 121 N 5.40 0.29 -0.34 1.11 0.24 -1.26 -4.43 118.33 119.34 1gfg n VAL 121 Ca 0.00 -0.63 0.09 0.00 -2.04 0.00 0.00 64.34 61.77 1gfg n VAL 121 Cb 0.45 1.16 0.29 0.00 -1.47 0.00 0.00 33.84 34.26 1gfg n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gfg h ARG 122 N 4.47 0.86 -1.13 7.34 3.08 -1.92 -1.30 114.38 125.78 1gfg h ARG 122 Ca 0.00 -0.05 0.32 0.00 0.07 0.00 0.00 59.98 60.32 1gfg h ARG 122 Cb 0.97 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 1gfg h ARG 122 CO 0.00 0.57 0.78 -0.56 -1.07 0.00 0.00 179.97 179.69 1gfg h GLN 123 N 0.89 0.16 0.00 0.04 3.07 -1.98 -1.92 115.11 115.36 1gfg h GLN 123 Ca 0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 59.20 1gfg h GLN 123 Cb 0.60 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.12 1gfg h GLN 123 CO -0.26 0.11 -0.11 1.88 0.09 0.00 0.00 178.83 180.54 1gfg h TYR 124 N 0.17 0.00 -0.04 0.06 0.05 -1.57 -3.08 116.97 112.55 1gfg h TYR 124 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.37 1gfg h TYR 124 Cb 1.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.71 1gfg h TYR 124 CO -0.00 0.11 0.00 1.33 -1.05 0.00 0.00 178.16 178.54 1gfg n VAL 125 N -3.50 0.54 -2.11 -2.88 0.24 -0.73 -4.79 118.33 105.09 1gfg n VAL 125 Ca -0.01 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 1gfg n VAL 125 Cb 0.25 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1gfg n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfg s GLN 126 N -0.63 4.30 0.00 7.34 -1.52 -1.16 -2.54 119.66 125.45 1gfg s GLN 126 Ca 0.04 2.14 0.00 0.00 -1.95 0.00 0.00 55.36 55.59 1gfg s GLN 126 Cb 0.02 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 1gfg s GLN 126 CO 0.03 -0.47 0.00 0.41 -0.25 0.00 0.00 175.29 175.01 1gfg n GLY 127 N 3.49 0.66 0.24 3.09 0.00 -1.26 -4.89 105.19 106.52 1gfg n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1gfg n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfg n GLY 129 N 1.37 -0.12 0.30 0.00 0.00 -1.26 -4.79 105.19 100.68 1gfg n GLY 129 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1gfg n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65