#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf4 s VAL 2 N 0.00 3.43 0.62 3.15 1.01 -1.26 -0.85 120.40 126.49 1gf4 s VAL 2 Ca 0.00 -1.56 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 1gf4 s VAL 2 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1gf4 s VAL 2 CO 0.00 -0.37 1.12 -0.36 0.00 0.00 0.00 175.10 175.48 1gf4 s PHE 3 N 1.27 2.64 0.32 5.22 0.08 -0.32 -5.00 117.98 122.19 1gf4 s PHE 3 Ca 0.01 1.55 -0.05 0.00 0.12 0.00 0.00 56.93 58.56 1gf4 s PHE 3 Cb -0.21 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 38.98 1gf4 s PHE 3 CO -0.01 -1.64 0.59 -1.21 -0.10 0.00 0.00 175.22 172.85 1gf4 s GLU 4 N -3.82 3.63 0.02 0.44 2.02 -1.26 -4.85 118.70 114.88 1gf4 s GLU 4 Ca 0.69 0.04 -0.05 0.00 0.02 0.00 0.00 54.97 55.66 1gf4 s GLU 4 Cb -0.22 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1gf4 s GLU 4 CO 0.36 0.15 1.09 -0.09 0.02 0.00 0.00 175.26 176.80 1gf4 h ARG 5 N 1.46 -0.04 -0.05 1.61 2.43 -1.96 -1.63 114.38 116.19 1gf4 h ARG 5 Ca -0.48 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1gf4 h ARG 5 Cb 1.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1gf4 h ARG 5 CO 0.65 -0.03 -0.19 0.00 -1.51 0.00 0.00 179.97 178.89 1gf4 h GLU 7 N 0.08 0.64 -0.43 0.00 4.81 -1.89 -2.06 114.58 115.74 1gf4 h GLU 7 Ca 0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1gf4 h GLU 7 Cb 0.39 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1gf4 h GLU 7 CO 0.03 0.43 -0.13 1.25 -0.73 0.00 0.00 179.01 179.85 1gf4 h LEU 8 N 0.66 0.86 -0.58 1.64 5.85 -0.56 -1.89 115.31 121.30 1gf4 h LEU 8 Ca 0.19 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1gf4 h LEU 8 Cb -0.05 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1gf4 h LEU 8 CO -0.06 1.04 0.29 0.00 -0.34 0.00 0.00 178.44 179.37 1gf4 h ALA 9 N 0.85 0.76 -0.20 1.25 0.00 -0.82 0.19 119.26 121.29 1gf4 h ALA 9 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1gf4 h ALA 9 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1gf4 h ALA 9 CO 0.05 -0.06 -0.49 0.00 0.00 0.00 0.00 179.25 178.75 1gf4 h ARG 10 N 0.55 0.53 -0.65 0.00 3.08 -1.36 -1.60 114.38 114.94 1gf4 h ARG 10 Ca 0.27 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1gf4 h ARG 10 Cb 0.19 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1gf4 h ARG 10 CO -0.19 0.90 0.24 1.15 -1.07 0.00 0.00 179.97 181.00 1gf4 h THR 11 N 0.42 1.24 -0.42 2.04 2.02 -0.38 -0.00 112.91 117.83 1gf4 h THR 11 Ca 0.02 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 1gf4 h THR 11 Cb 1.01 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1gf4 h THR 11 CO 0.09 0.31 -0.13 -0.07 0.37 0.00 0.00 175.52 176.09 1gf4 h LEU 12 N 0.92 0.85 -0.52 2.58 3.38 -0.53 -2.65 115.31 119.35 1gf4 h LEU 12 Ca 0.21 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1gf4 h LEU 12 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1gf4 h LEU 12 CO -0.01 1.03 0.32 0.50 0.09 0.00 0.00 178.44 180.37 1gf4 h LYS 13 N 0.66 0.70 -0.23 1.13 3.64 -0.90 -2.04 116.57 119.53 1gf4 h LYS 13 Ca 0.10 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1gf4 h LYS 13 Cb 0.68 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1gf4 h LYS 13 CO 0.05 0.50 0.08 0.00 -2.27 0.00 0.00 179.45 177.81 1gf4 h ARG 14 N 0.70 0.32 -0.09 1.90 -0.00 -0.91 -1.42 114.38 114.89 1gf4 h ARG 14 Ca 0.19 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1gf4 h ARG 14 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 29.88 1gf4 h ARG 14 CO -0.04 0.29 0.00 1.28 0.00 0.00 0.00 179.97 181.50 1gf4 n LEU 15 N -4.42 0.70 0.00 3.04 4.77 -0.84 -4.91 117.00 115.33 1gf4 n LEU 15 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1gf4 n LEU 15 Cb 0.14 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gf4 n LEU 15 CO 0.36 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1gf4 n GLY 16 N 0.88 0.40 0.14 -0.72 0.00 -0.53 -4.98 105.19 100.36 1gf4 n GLY 16 Ca 0.12 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1gf4 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf4 h MET 17 N 0.00 0.00 -6.13 1.61 2.86 -1.55 -3.40 114.93 108.32 1gf4 h MET 17 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1gf4 h MET 17 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1gf4 h MET 17 CO 0.00 0.12 1.34 0.34 1.06 0.00 0.00 176.91 179.77 1gf4 s ASP 18 N -5.79 5.61 0.00 1.22 2.15 -1.26 -2.10 116.67 116.50 1gf4 s ASP 18 Ca 0.01 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.10 1gf4 s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1gf4 s ASP 18 CO 0.76 -1.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.40 1gf4 n GLY 19 N 5.55 0.74 3.64 2.66 0.00 0.11 -4.90 105.19 112.99 1gf4 n GLY 19 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 1gf4 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gf4 n TYR 20 N -2.40 2.33 -3.81 1.61 9.36 -0.89 -0.50 117.16 122.85 1gf4 n TYR 20 Ca 0.00 -0.25 -0.28 0.00 3.32 0.00 0.00 57.90 60.69 1gf4 n TYR 20 Cb 0.00 -2.76 0.04 0.00 -0.63 0.00 0.00 39.34 35.99 1gf4 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gf4 n ARG 21 N 7.71 -6.20 -0.98 2.98 5.12 -1.26 -1.66 116.66 122.37 1gf4 n ARG 21 Ca 0.23 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 1gf4 n ARG 21 Cb 0.39 -5.59 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1gf4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf4 n GLY 22 N -1.77 0.41 3.57 -0.13 0.00 0.34 -5.00 105.19 102.61 1gf4 n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1gf4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf4 s ILE 23 N -1.92 5.18 0.70 -0.61 1.01 -0.67 -4.90 121.20 120.01 1gf4 s ILE 23 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.76 1gf4 s ILE 23 Cb 0.00 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1gf4 s ILE 23 CO 0.00 0.03 1.12 -0.94 0.00 0.00 0.00 174.94 175.15 1gf4 s SER 24 N 1.71 4.77 0.25 3.58 1.04 -1.26 0.05 113.70 123.84 1gf4 s SER 24 Ca 0.12 2.01 -0.05 0.00 0.48 0.00 0.00 55.95 58.51 1gf4 s SER 24 Cb -0.16 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.70 1gf4 s SER 24 CO 0.11 -1.86 1.91 0.25 0.98 0.00 0.00 173.24 174.63 1gf4 h LEU 25 N -0.36 1.10 -1.38 2.42 5.85 -1.91 -1.04 115.31 119.99 1gf4 h LEU 25 Ca -0.46 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1gf4 h LEU 25 Cb 1.25 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1gf4 h LEU 25 CO 0.52 0.77 0.46 0.00 -0.34 0.00 0.00 178.44 179.86 1gf4 h ALA 26 N 1.38 1.68 -0.19 1.25 0.00 -1.92 -0.95 119.26 120.50 1gf4 h ALA 26 Ca 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1gf4 h ALA 26 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1gf4 h ALA 26 CO -0.10 0.23 -0.01 -0.91 0.00 0.00 0.00 179.25 178.45 1gf4 h ASN 27 N 0.77 0.35 -0.81 0.00 2.35 -1.52 -1.37 115.58 115.35 1gf4 h ASN 27 Ca 0.29 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1gf4 h ASN 27 Cb 0.19 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1gf4 h ASN 27 CO -0.09 0.59 0.47 -0.50 -1.65 0.00 0.00 177.43 176.25 1gf4 h TRP 28 N 0.09 1.09 -0.27 1.19 4.06 -1.08 -0.82 115.95 120.22 1gf4 h TRP 28 Ca 0.05 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1gf4 h TRP 28 Cb 0.42 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1gf4 h TRP 28 CO 0.04 0.74 0.13 0.52 -3.56 0.00 0.00 178.44 176.31 1gf4 h MET 29 N 1.13 0.38 -0.87 0.49 2.86 -1.05 -0.18 114.93 117.70 1gf4 h MET 29 Ca 0.29 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1gf4 h MET 29 Cb -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1gf4 h MET 29 CO -0.05 0.37 0.50 0.00 1.06 0.00 0.00 176.91 178.80 1gf4 h LEU 31 N 1.21 -0.41 -1.28 0.00 5.85 -0.81 -1.50 115.31 118.36 1gf4 h LEU 31 Ca 0.31 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1gf4 h LEU 31 Cb -0.01 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1gf4 h LEU 31 CO -0.05 -0.23 0.49 0.00 -0.34 0.00 0.00 178.44 178.30 1gf4 h ALA 32 N 0.05 1.47 0.46 1.25 0.00 -0.76 0.68 119.26 122.41 1gf4 h ALA 32 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gf4 h ALA 32 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gf4 h ALA 32 CO 0.08 0.49 -0.22 -0.22 0.00 0.00 0.00 179.25 179.38 1gf4 h LYS 33 N 1.00 -0.59 0.00 0.00 1.63 -0.46 -2.14 116.57 116.01 1gf4 h LYS 33 Ca 0.27 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1gf4 h LYS 33 Cb -0.12 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1gf4 h LYS 33 CO -0.06 -0.38 -0.63 -1.49 -3.45 0.00 0.00 179.45 173.45 1gf4 h TRP 34 N -0.64 0.00 -0.10 1.91 4.06 -1.09 -0.02 115.95 120.08 1gf4 h TRP 34 Ca -0.06 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.75 1gf4 h TRP 34 Cb 0.48 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1gf4 h TRP 34 CO -0.04 0.63 -0.49 0.93 -3.56 0.00 0.00 178.44 175.91 1gf4 h GLU 35 N 0.00 0.51 0.00 0.49 4.39 -0.84 -3.42 114.58 115.70 1gf4 h GLU 35 Ca -0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1gf4 h GLU 35 Cb 1.28 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1gf4 h GLU 35 CO 0.08 1.04 0.00 -1.13 -1.16 0.00 0.00 179.01 177.84 1gf4 n SER 36 N -4.25 0.00 -1.75 1.42 3.41 -0.84 -4.84 113.62 106.78 1gf4 n SER 36 Ca -0.08 -0.93 -0.12 0.00 -0.26 0.00 0.00 58.87 57.48 1gf4 n SER 36 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1gf4 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf4 n GLY 37 N 0.00 0.01 2.74 5.00 0.00 -0.02 -2.67 105.19 110.26 1gf4 n GLY 37 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1gf4 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf4 n TYR 38 N -3.94 -1.54 -3.73 1.61 0.53 -1.13 -4.77 117.16 104.18 1gf4 n TYR 38 Ca -0.07 0.37 -0.38 0.00 -1.02 0.00 0.00 57.90 56.80 1gf4 n TYR 38 Cb 0.57 -3.94 -0.12 0.00 -1.03 0.00 0.00 39.34 34.81 1gf4 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf4 s ASN 39 N -2.65 5.26 0.52 7.72 2.47 -1.09 -1.17 114.94 126.00 1gf4 s ASN 39 Ca 0.21 -0.76 0.31 0.00 0.42 0.00 0.00 52.86 53.04 1gf4 s ASN 39 Cb -0.09 -1.91 1.19 0.00 -1.45 0.00 0.00 41.25 38.99 1gf4 s ASN 39 CO 0.26 -0.23 1.92 0.71 -3.72 0.00 0.00 177.10 176.05 1gf4 h THR 40 N 5.88 0.09 -0.59 -5.21 1.35 -1.30 -3.03 112.91 110.09 1gf4 h THR 40 Ca -0.30 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1gf4 h THR 40 Cb 1.12 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1gf4 h THR 40 CO 0.61 0.03 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1gf4 n ARG 41 N -3.14 2.54 -2.00 4.72 1.85 -1.26 -4.00 116.66 115.37 1gf4 n ARG 41 Ca 0.01 -2.38 -0.41 0.00 -1.00 0.00 0.00 57.85 54.07 1gf4 n ARG 41 Cb 0.35 -1.52 -0.02 0.00 -1.05 0.00 0.00 32.46 30.22 1gf4 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gf4 s ALA 42 N -1.22 3.56 0.02 2.89 0.00 -1.16 -4.78 121.76 121.08 1gf4 s ALA 42 Ca 0.44 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.70 1gf4 s ALA 42 Cb 0.23 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 1gf4 s ALA 42 CO 0.31 -0.78 0.11 0.95 0.00 0.00 0.00 175.76 176.36 1gf4 s THR 43 N -0.80 0.11 -0.13 0.00 -4.23 -1.26 -0.68 115.64 108.65 1gf4 s THR 43 Ca 0.53 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1gf4 s THR 43 Cb -0.42 -0.63 0.07 0.00 1.34 0.00 0.00 72.50 72.85 1gf4 s THR 43 CO 0.53 -0.48 0.22 0.21 -0.54 0.00 0.00 174.62 174.55 1gf4 s ASN 44 N -1.73 0.73 0.06 3.99 2.47 -0.64 -4.96 114.94 114.87 1gf4 s ASN 44 Ca -0.10 0.31 -0.25 0.00 0.42 0.00 0.00 52.86 53.24 1gf4 s ASN 44 Cb -0.05 0.48 -0.06 0.00 -1.45 0.00 0.00 41.25 40.18 1gf4 s ASN 44 CO -0.01 -0.26 0.76 -0.47 -3.72 0.00 0.00 177.10 173.40 1gf4 s TYR 45 N 2.36 3.76 -0.54 0.43 6.04 -1.26 -0.36 117.35 127.78 1gf4 s TYR 45 Ca 0.03 1.49 -0.07 0.00 0.04 0.00 0.00 57.07 58.56 1gf4 s TYR 45 Cb -0.13 -2.80 0.14 0.00 -1.04 0.00 0.00 41.96 38.13 1gf4 s TYR 45 CO -0.08 0.31 0.39 -0.80 -1.54 0.00 0.00 175.55 173.82 1gf4 s ASN 46 N -0.22 5.59 0.43 4.32 0.01 -0.01 -4.96 114.94 120.09 1gf4 s ASN 46 Ca 0.38 -2.28 0.16 0.00 -0.71 0.00 0.00 52.86 50.41 1gf4 s ASN 46 Cb -0.21 -1.95 1.07 0.00 0.41 0.00 0.00 41.25 40.57 1gf4 s ASN 46 CO 0.23 -0.56 1.91 0.00 -1.51 0.00 0.00 177.10 177.17 1gf4 h ALA 47 N 7.91 2.14 -0.92 0.60 0.00 -1.96 -0.62 119.26 126.40 1gf4 h ALA 47 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gf4 h ALA 47 Cb 1.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1gf4 h ALA 47 CO 0.78 -0.36 0.59 0.78 0.00 0.00 0.00 179.25 181.04 1gf4 h GLY 48 N 0.41 1.31 -0.00 0.00 0.00 -1.95 -3.31 103.07 99.52 1gf4 h GLY 48 Ca 0.39 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1gf4 h GLY 48 CO -0.13 0.50 -0.00 2.09 0.00 0.00 0.00 176.54 179.00 1gf4 n ASP 49 N -4.42 1.57 -1.99 0.19 5.75 -1.07 -5.02 116.55 111.55 1gf4 n ASP 49 Ca 0.10 -1.80 -0.19 0.00 -0.01 0.00 0.00 54.79 52.90 1gf4 n ASP 49 Cb 0.03 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1gf4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf4 n ARG 50 N -0.40 -1.46 -3.87 0.11 1.74 -0.26 -4.78 116.66 107.74 1gf4 n ARG 50 Ca 0.00 0.97 -0.22 0.00 -0.77 0.00 0.00 57.85 57.83 1gf4 n ARG 50 Cb 0.31 -5.46 -0.05 0.00 -1.02 0.00 0.00 32.46 26.25 1gf4 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf4 s SER 51 N -2.29 4.99 0.02 0.55 1.04 -1.21 -4.42 113.70 112.38 1gf4 s SER 51 Ca 0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1gf4 s SER 51 Cb 0.00 -0.77 -0.02 0.00 0.10 0.00 0.00 66.02 65.33 1gf4 s SER 51 CO 0.00 -0.42 -0.10 -0.89 0.98 0.00 0.00 173.24 172.81 1gf4 s THR 52 N -2.40 0.77 -0.11 2.02 2.01 -1.26 -0.83 115.64 115.83 1gf4 s THR 52 Ca 0.42 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1gf4 s THR 52 Cb -0.03 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1gf4 s THR 52 CO 0.25 -0.04 0.27 -1.81 -0.69 0.00 0.00 174.62 172.60 1gf4 s ASP 53 N -0.91 6.51 -0.03 3.53 1.01 0.52 -1.40 116.67 125.89 1gf4 s ASP 53 Ca -0.01 0.60 0.06 0.00 0.71 0.00 0.00 52.55 53.91 1gf4 s ASP 53 Cb -0.07 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1gf4 s ASP 53 CO 0.00 0.25 -0.21 -0.31 0.21 0.00 0.00 175.17 175.11 1gf4 s TYR 54 N -0.34 1.95 0.00 4.23 2.02 0.31 -1.62 117.35 123.91 1gf4 s TYR 54 Ca 0.17 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1gf4 s TYR 54 Cb -0.14 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1gf4 s TYR 54 CO 0.06 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 1gf4 n GLY 55 N 2.77 -1.34 0.21 0.71 0.00 0.14 -1.68 105.19 105.99 1gf4 n GLY 55 Ca -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.62 1gf4 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf4 h ILE 56 N 0.00 1.20 -0.13 -0.61 2.10 -1.67 -2.24 117.51 116.16 1gf4 h ILE 56 Ca 0.00 -0.96 0.00 0.00 1.08 0.00 0.00 64.86 64.98 1gf4 h ILE 56 Cb 0.00 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1gf4 h ILE 56 CO 0.00 0.28 0.00 0.49 -1.08 0.00 0.00 178.15 177.84 1gf4 n PHE 57 N -4.21 0.14 -3.81 2.19 0.99 -1.26 -4.04 117.46 107.46 1gf4 n PHE 57 Ca -0.02 -0.08 -0.25 0.00 -0.00 0.00 0.00 57.45 57.10 1gf4 n PHE 57 Cb 0.33 -0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.82 1gf4 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf4 n GLN 58 N 1.24 -3.29 -2.51 -1.08 1.13 -0.84 -4.91 117.38 107.11 1gf4 n GLN 58 Ca 0.14 0.48 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 1gf4 n GLN 58 Cb 0.54 -4.64 -0.04 0.00 0.11 0.00 0.00 30.24 26.21 1gf4 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf4 s ILE 59 N -3.76 3.87 0.12 5.09 1.01 -0.68 -4.39 121.20 122.46 1gf4 s ILE 59 Ca 0.11 1.61 -0.24 0.00 0.00 0.00 0.00 60.65 62.13 1gf4 s ILE 59 Cb -0.04 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1gf4 s ILE 59 CO 0.86 0.27 0.74 0.21 0.00 0.00 0.00 174.94 177.02 1gf4 s ASN 60 N -0.09 7.30 0.10 3.58 3.84 -1.26 -0.53 114.94 127.87 1gf4 s ASN 60 Ca 0.49 1.54 0.20 0.00 0.21 0.00 0.00 52.86 55.30 1gf4 s ASN 60 Cb -0.29 -2.47 0.83 0.00 -0.55 0.00 0.00 41.25 38.76 1gf4 s ASN 60 CO 0.35 0.17 1.63 -1.54 -2.79 0.00 0.00 177.10 174.91 1gf4 n SER 61 N 1.93 0.27 0.04 -4.21 3.41 -0.49 -2.18 113.62 112.38 1gf4 n SER 61 Ca -0.06 0.56 -0.07 0.00 -0.26 0.00 0.00 58.87 59.04 1gf4 n SER 61 Cb 0.49 -0.62 0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1gf4 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gf4 h ARG 62 N 0.00 0.42 0.00 4.33 2.43 -1.83 -3.40 114.38 116.33 1gf4 h ARG 62 Ca 0.00 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1gf4 h ARG 62 Cb 0.36 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1gf4 h ARG 62 CO 0.00 0.84 -0.93 0.66 -1.51 0.00 0.00 179.97 179.03 1gf4 n TYR 63 N -3.96 0.00 -0.12 2.20 4.02 -1.21 -0.07 117.16 118.02 1gf4 n TYR 63 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.71 1gf4 n TYR 63 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.76 1gf4 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gf4 n TRP 64 N -1.80 0.03 -4.14 -0.72 7.02 -0.93 -0.48 117.44 116.41 1gf4 n TRP 64 Ca 0.00 0.01 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 1gf4 n TRP 64 Cb 0.38 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.16 1gf4 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf4 s ASN 66 N -2.77 5.93 0.00 0.00 2.47 -0.00 -4.56 114.94 116.01 1gf4 s ASN 66 Ca 0.07 -0.00 0.05 0.00 0.42 0.00 0.00 52.86 53.40 1gf4 s ASN 66 Cb 0.03 -2.09 0.04 0.00 -1.45 0.00 0.00 41.25 37.78 1gf4 s ASN 66 CO -0.04 -0.02 0.66 -0.90 -3.72 0.00 0.00 177.10 173.08 1gf4 n ASP 67 N 4.84 1.42 0.00 -4.21 5.68 -1.26 -1.48 116.55 121.54 1gf4 n ASP 67 Ca -0.15 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1gf4 n ASP 67 Cb 0.52 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1gf4 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf4 n GLY 68 N 0.29 1.80 0.29 6.12 0.00 -1.26 -4.80 105.19 107.63 1gf4 n GLY 68 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1gf4 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf4 n LYS 69 N -1.97 2.53 -3.68 1.61 2.85 -1.26 -4.95 118.16 113.29 1gf4 n LYS 69 Ca 0.00 -2.09 -0.38 0.00 -1.05 0.00 0.00 58.31 54.79 1gf4 n LYS 69 Cb 0.00 -1.31 -0.12 0.00 -0.65 0.00 0.00 35.03 32.95 1gf4 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf4 s THR 70 N -1.74 4.36 0.12 0.58 2.01 -1.26 -4.91 115.64 114.80 1gf4 s THR 70 Ca 0.19 -0.59 -0.35 0.00 0.31 0.00 0.00 61.69 61.25 1gf4 s THR 70 Cb 0.15 -3.27 -0.15 0.00 0.01 0.00 0.00 72.50 69.24 1gf4 s THR 70 CO 0.05 0.02 1.51 -2.65 -0.69 0.00 0.00 174.62 172.86 1gf4 n PRO 71 N 4.94 1.79 -1.47 4.92 -0.02 -1.26 -2.29 135.00 141.62 1gf4 n PRO 71 Ca -0.14 0.65 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1gf4 n PRO 71 Cb 0.48 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1gf4 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf4 n GLY 72 N 3.15 1.56 3.79 -1.23 0.00 -1.26 -4.94 105.19 106.25 1gf4 n GLY 72 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1gf4 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf4 s ALA 73 N -2.38 2.45 0.50 4.61 0.00 -0.97 -5.03 121.76 120.93 1gf4 s ALA 73 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1gf4 s ALA 73 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1gf4 s ALA 73 CO 0.00 -1.49 0.02 0.14 0.00 0.00 0.00 175.76 174.42 1gf4 s VAL 74 N -2.90 1.12 -0.40 0.00 -7.23 0.89 -5.00 120.40 106.89 1gf4 s VAL 74 Ca 0.60 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1gf4 s VAL 74 Cb -0.16 -2.20 0.25 0.00 0.56 0.00 0.00 36.38 34.82 1gf4 s VAL 74 CO 0.54 0.00 0.54 -3.20 -0.31 0.00 0.00 175.10 172.67 1gf4 n ASN 75 N -1.26 0.01 0.26 4.85 5.15 -1.21 -3.92 115.26 119.13 1gf4 n ASN 75 Ca -0.17 -2.72 0.08 0.00 -0.60 0.00 0.00 54.58 51.17 1gf4 n ASN 75 Cb 0.67 -0.51 0.64 0.00 -0.53 0.00 0.00 39.78 40.04 1gf4 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf4 h ALA 76 N 4.00 1.89 0.00 5.20 0.00 -0.77 -0.33 119.26 129.24 1gf4 h ALA 76 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gf4 h ALA 76 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1gf4 h ALA 76 CO 0.45 0.05 -0.23 0.00 0.00 0.00 0.00 179.25 179.52 1gf4 n HIS 78 N -1.57 -2.10 -3.97 0.00 -0.00 -0.13 -4.95 115.22 102.49 1gf4 n HIS 78 Ca 0.06 0.82 -0.09 0.00 -0.00 0.00 0.00 57.72 58.51 1gf4 n HIS 78 Cb 0.35 -4.37 -0.10 0.00 -0.00 0.00 0.00 29.99 25.86 1gf4 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf4 s LEU 79 N -6.29 2.09 0.25 2.41 1.43 -1.26 -5.07 118.68 112.24 1gf4 s LEU 79 Ca 0.17 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1gf4 s LEU 79 Cb -0.04 0.30 -0.09 0.00 0.03 0.00 0.00 46.19 46.39 1gf4 s LEU 79 CO 0.78 -0.39 0.98 -0.55 0.23 0.00 0.00 176.35 177.39 1gf4 s SER 80 N -1.79 7.55 0.66 2.29 0.15 -1.26 -0.82 113.70 120.48 1gf4 s SER 80 Ca -0.10 2.02 0.39 0.00 0.70 0.00 0.00 55.95 58.95 1gf4 s SER 80 Cb -0.05 -2.61 2.13 0.00 -1.71 0.00 0.00 66.02 63.78 1gf4 s SER 80 CO -0.03 0.08 2.23 0.00 1.20 0.00 0.00 173.24 176.73 1gf4 h SER 82 N 0.00 0.31 0.24 0.00 0.87 -1.90 -0.39 113.55 112.68 1gf4 h SER 82 Ca 0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1gf4 h SER 82 Cb 0.21 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1gf4 h SER 82 CO -0.00 0.22 -0.03 0.00 -0.53 0.00 0.00 176.83 176.49 1gf4 h ALA 83 N 1.82 1.19 -0.24 6.23 0.00 -1.27 -0.56 119.26 126.43 1gf4 h ALA 83 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gf4 h ALA 83 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gf4 h ALA 83 CO -0.02 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1gf4 n LEU 84 N -3.40 1.58 -0.40 0.00 4.77 -0.16 -3.64 117.00 115.74 1gf4 n LEU 84 Ca -0.02 -0.74 0.05 0.00 -0.03 0.00 0.00 56.01 55.27 1gf4 n LEU 84 Cb 0.15 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1gf4 n LEU 84 CO 0.25 0.37 0.60 0.18 -1.33 0.00 0.00 177.39 177.46 1gf4 n LEU 85 N 0.31 2.73 -4.85 2.23 4.77 -0.22 -3.12 117.00 118.86 1gf4 n LEU 85 Ca 0.13 -2.34 -0.32 0.00 -0.03 0.00 0.00 56.01 53.45 1gf4 n LEU 85 Cb 0.28 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1gf4 n LEU 85 CO 0.10 0.65 0.63 -1.10 -1.33 0.00 0.00 177.39 176.33 1gf4 s GLN 86 N -1.60 3.96 0.18 3.23 -0.21 -1.24 -4.55 119.66 119.43 1gf4 s GLN 86 Ca 0.21 0.88 -0.08 0.00 0.02 0.00 0.00 55.36 56.38 1gf4 s GLN 86 Cb 0.15 -2.20 0.07 0.00 1.00 0.00 0.00 33.01 32.03 1gf4 s GLN 86 CO 0.08 -0.18 1.60 -0.44 -2.12 0.00 0.00 175.29 174.22 1gf4 h ASP 87 N 1.15 0.98 -3.02 5.90 5.19 -1.94 -3.40 116.42 121.29 1gf4 h ASP 87 Ca -0.47 -0.34 -0.57 0.00 -0.62 0.00 0.00 57.03 55.02 1gf4 h ASP 87 Cb 1.18 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.38 1gf4 h ASP 87 CO 0.62 1.12 0.83 0.21 -3.12 0.00 0.00 179.24 178.90 1gf4 s ASN 88 N -6.69 7.04 0.00 6.45 3.84 -1.26 -4.89 114.94 119.43 1gf4 s ASN 88 Ca -0.11 1.53 0.10 0.00 0.21 0.00 0.00 52.86 54.59 1gf4 s ASN 88 Cb 0.13 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.58 1gf4 s ASN 88 CO 0.86 -0.70 1.24 2.30 -2.79 0.00 0.00 177.10 178.01 1gf4 n ILE 89 N 5.29 0.42 -0.06 -5.21 -5.35 -1.26 -4.51 119.36 108.68 1gf4 n ILE 89 Ca 0.13 -0.42 -0.08 0.00 -0.27 0.00 0.00 62.75 62.10 1gf4 n ILE 89 Cb 0.46 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1gf4 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf4 h ALA 90 N 3.59 -0.19 -0.77 -1.28 0.00 -1.95 0.58 119.26 119.23 1gf4 h ALA 90 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gf4 h ALA 90 Cb 0.42 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1gf4 h ALA 90 CO 0.00 -0.71 0.28 -0.44 0.00 0.00 0.00 179.25 178.38 1gf4 h ASP 91 N -0.28 1.09 -0.71 0.00 3.45 -1.87 -0.70 116.42 117.40 1gf4 h ASP 91 Ca 0.14 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 1gf4 h ASP 91 Cb 0.50 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 1gf4 h ASP 91 CO -0.42 0.98 0.34 0.00 -1.57 0.00 0.00 179.24 178.58 1gf4 h ALA 92 N 1.17 1.23 -0.20 3.45 0.00 -1.63 -0.59 119.26 122.69 1gf4 h ALA 92 Ca 0.25 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1gf4 h ALA 92 Cb 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gf4 h ALA 92 CO -0.02 0.59 -0.61 1.79 0.00 0.00 0.00 179.25 181.00 1gf4 h THR 93 N 1.04 1.30 -0.55 0.00 1.35 -0.36 0.09 112.91 115.78 1gf4 h THR 93 Ca 0.25 -1.85 0.06 0.00 -0.55 0.00 0.00 66.41 64.32 1gf4 h THR 93 Cb 0.11 1.80 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 1gf4 h THR 93 CO -0.03 0.58 0.27 0.00 -0.25 0.00 0.00 175.52 176.09 1gf4 h ALA 94 N 0.80 0.71 -0.33 6.62 0.00 -0.73 0.55 119.26 126.88 1gf4 h ALA 94 Ca -0.01 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1gf4 h ALA 94 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1gf4 h ALA 94 CO 0.12 -0.09 -0.27 0.00 0.00 0.00 0.00 179.25 179.01 1gf4 h ALA 96 N 0.75 1.42 -0.62 0.00 0.00 -0.61 0.30 119.26 120.50 1gf4 h ALA 96 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1gf4 h ALA 96 Cb 0.84 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1gf4 h ALA 96 CO 0.07 0.50 0.15 0.87 0.00 0.00 0.00 179.25 180.84 1gf4 h LYS 97 N 1.14 0.99 -0.72 0.00 1.57 -0.65 -2.34 116.57 116.55 1gf4 h LYS 97 Ca 0.35 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1gf4 h LYS 97 Cb -0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1gf4 h LYS 97 CO -0.10 0.90 0.47 -0.09 -0.57 0.00 0.00 179.45 180.06 1gf4 h ARG 98 N 0.90 0.96 -0.14 3.15 9.65 -0.05 -2.36 114.38 126.50 1gf4 h ARG 98 Ca 0.19 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1gf4 h ARG 98 Cb 0.35 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1gf4 h ARG 98 CO 0.00 0.65 0.04 0.28 2.80 0.00 0.00 179.97 183.75 1gf4 h VAL 99 N 0.98 0.96 0.00 0.20 2.07 -0.66 -2.72 116.25 117.09 1gf4 h VAL 99 Ca 0.26 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1gf4 h VAL 99 Cb -0.09 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1gf4 h VAL 99 CO -0.05 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.89 1gf4 n VAL 100 N -5.06 0.72 0.40 2.57 0.24 -0.91 -2.20 118.33 114.09 1gf4 n VAL 100 Ca -0.04 0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 1gf4 n VAL 100 Cb 0.06 -0.87 0.50 0.00 -1.47 0.00 0.00 33.84 32.05 1gf4 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf4 h ARG 101 N 0.00 0.00 -7.42 7.34 3.08 -1.09 -3.37 114.38 112.92 1gf4 h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1gf4 h ARG 101 Cb 0.33 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.51 1gf4 h ARG 101 CO 0.00 0.00 0.31 -0.51 -1.07 0.00 0.00 179.97 178.70 1gf4 s ASP 102 N -4.78 4.02 0.25 7.04 -0.00 -0.94 -4.94 116.67 117.33 1gf4 s ASP 102 Ca 0.05 1.23 -0.03 0.00 -0.00 0.00 0.00 52.55 53.80 1gf4 s ASP 102 Cb 0.09 -1.91 0.50 0.00 -0.00 0.00 0.00 42.92 41.61 1gf4 s ASP 102 CO 0.49 -2.26 1.71 1.55 -0.00 0.00 0.00 175.17 176.66 1gf4 h PRO 103 N -1.29 0.38 0.00 8.23 0.13 -1.87 -2.24 132.00 135.34 1gf4 h PRO 103 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1gf4 h PRO 103 Cb 1.29 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1gf4 h PRO 103 CO 0.59 0.25 -0.15 1.96 -0.23 0.00 0.00 178.00 180.42 1gf4 h GLN 104 N 0.40 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.19 1gf4 h GLN 104 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1gf4 h GLN 104 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1gf4 h GLN 104 CO -0.45 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.27 1gf4 n GLY 105 N -1.05 2.71 0.30 3.46 0.00 -0.85 -2.21 105.19 107.56 1gf4 n GLY 105 Ca -0.02 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 45.76 1gf4 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf4 h ILE 106 N 0.00 0.50 0.00 -0.61 6.09 -1.92 -1.76 117.51 119.81 1gf4 h ILE 106 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1gf4 h ILE 106 Cb 0.00 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.30 1gf4 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gf4 n ARG 107 N -3.81 0.00 -0.30 2.19 1.74 -0.94 -2.68 116.66 112.87 1gf4 n ARG 107 Ca -0.03 0.43 0.16 0.00 -0.77 0.00 0.00 57.85 57.63 1gf4 n ARG 107 Cb 0.08 -1.51 0.41 0.00 -1.02 0.00 0.00 32.46 30.43 1gf4 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf4 h ALA 108 N 2.15 1.94 -2.40 7.54 0.00 -1.48 -3.38 119.26 123.63 1gf4 h ALA 108 Ca 0.00 0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.33 1gf4 h ALA 108 Cb 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 1gf4 h ALA 108 CO 0.00 -0.25 0.17 -1.58 0.00 0.00 0.00 179.25 177.58 1gf4 s TRP 109 N -5.64 3.22 0.33 0.00 0.51 -1.09 -4.95 118.94 111.32 1gf4 s TRP 109 Ca -0.10 0.63 0.02 0.00 -2.12 0.00 0.00 56.10 54.53 1gf4 s TRP 109 Cb 0.23 -2.99 0.56 0.00 -0.81 0.00 0.00 33.47 30.47 1gf4 s TRP 109 CO 0.79 -0.46 1.91 0.28 -0.51 0.00 0.00 176.95 178.97 1gf4 h VAL 110 N 5.53 1.19 -0.79 4.03 2.07 -1.90 -1.63 116.25 124.76 1gf4 h VAL 110 Ca -0.27 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.73 1gf4 h VAL 110 Cb 1.12 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1gf4 h VAL 110 CO 0.80 0.23 0.51 0.00 0.02 0.00 0.00 177.57 179.14 1gf4 h ALA 111 N 1.49 1.66 -0.44 1.67 0.00 -1.94 -0.75 119.26 120.95 1gf4 h ALA 111 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1gf4 h ALA 111 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1gf4 h ALA 111 CO -0.02 0.21 0.20 2.35 0.00 0.00 0.00 179.25 182.00 1gf4 h TRP 112 N 0.83 0.64 -0.47 0.00 7.01 -1.62 -0.64 115.95 121.70 1gf4 h TRP 112 Ca 0.34 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.33 1gf4 h TRP 112 Cb 0.28 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1gf4 h TRP 112 CO -0.00 0.53 0.27 0.00 -2.79 0.00 0.00 178.44 176.45 1gf4 h ARG 113 N 0.57 0.53 -0.32 2.65 3.08 -1.08 0.22 114.38 120.02 1gf4 h ARG 113 Ca 0.15 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1gf4 h ARG 113 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1gf4 h ARG 113 CO -0.02 0.35 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.02 1gf4 h ASN 114 N 0.54 0.72 0.00 7.04 2.35 -0.90 -3.35 115.58 121.98 1gf4 h ASN 114 Ca 0.19 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1gf4 h ASN 114 Cb 0.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1gf4 h ASN 114 CO -0.09 0.97 0.00 0.54 -1.65 0.00 0.00 177.43 177.20 1gf4 n ARG 115 N -4.08 3.48 0.00 0.81 5.12 -0.27 -4.88 116.66 116.84 1gf4 n ARG 115 Ca -0.01 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1gf4 n ARG 115 Cb 0.47 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 31.07 1gf4 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gf4 n GLN 117 N -2.33 2.45 -2.17 0.00 7.27 -0.18 -2.08 117.38 120.33 1gf4 n GLN 117 Ca 0.00 0.87 -0.16 0.00 0.07 0.00 0.00 57.00 57.78 1gf4 n GLN 117 Cb 0.43 -2.63 -0.02 0.00 2.41 0.00 0.00 30.24 30.42 1gf4 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gf4 n ASN 118 N 2.62 -4.69 -4.61 1.69 5.03 -1.26 -4.95 115.26 109.08 1gf4 n ASN 118 Ca 0.12 0.18 -0.23 0.00 0.87 0.00 0.00 54.58 55.51 1gf4 n ASN 118 Cb 0.34 -4.02 -0.08 0.00 -1.02 0.00 0.00 39.78 35.00 1gf4 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf4 s ARG 119 N -4.61 2.19 -0.68 3.52 1.81 -0.89 -5.07 118.95 115.23 1gf4 s ARG 119 Ca 0.00 -1.45 -0.25 0.00 -1.72 0.00 0.00 55.73 52.31 1gf4 s ARG 119 Cb 0.00 -2.11 0.05 0.00 -0.45 0.00 0.00 34.95 32.44 1gf4 s ARG 119 CO 0.00 0.37 1.11 0.34 -0.68 0.00 0.00 175.30 176.44 1gf4 s ASP 120 N -3.57 6.19 -0.02 0.23 -1.08 -1.26 -4.86 116.67 112.30 1gf4 s ASP 120 Ca 0.31 -0.65 0.19 0.00 -0.52 0.00 0.00 52.55 51.88 1gf4 s ASP 120 Cb -0.06 -2.49 0.59 0.00 -1.46 0.00 0.00 42.92 39.50 1gf4 s ASP 120 CO 0.19 -1.61 1.50 1.33 0.52 0.00 0.00 175.17 177.10 1gf4 n VAL 121 N 6.18 1.18 0.03 1.11 0.24 -1.26 -4.54 118.33 121.27 1gf4 n VAL 121 Ca 0.00 -1.06 0.12 0.00 -2.04 0.00 0.00 64.34 61.36 1gf4 n VAL 121 Cb 0.47 0.42 0.57 0.00 -1.47 0.00 0.00 33.84 33.82 1gf4 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf4 h ARG 122 N 3.75 0.23 -0.09 7.34 3.08 -1.93 -1.52 114.38 125.24 1gf4 h ARG 122 Ca 0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1gf4 h ARG 122 Cb 1.03 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1gf4 h ARG 122 CO 0.05 0.15 0.10 -0.56 -1.07 0.00 0.00 179.97 178.64 1gf4 h GLN 123 N 0.24 0.00 -0.00 0.04 3.07 -1.98 -2.36 115.11 114.12 1gf4 h GLN 123 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.86 1gf4 h GLN 123 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 1gf4 h GLN 123 CO -0.04 0.00 -0.32 1.88 0.09 0.00 0.00 178.83 180.45 1gf4 h TYR 124 N 0.00 0.01 -0.01 0.06 0.05 -1.62 -3.17 116.97 112.29 1gf4 h TYR 124 Ca 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gf4 h TYR 124 Cb 0.23 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1gf4 h TYR 124 CO 0.00 0.32 -0.08 1.33 -1.05 0.00 0.00 178.16 178.68 1gf4 n VAL 125 N -4.16 0.00 -1.87 -2.88 0.24 -0.91 -4.81 118.33 103.94 1gf4 n VAL 125 Ca -0.02 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1gf4 n VAL 125 Cb 0.36 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1gf4 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gf4 s GLN 126 N -1.19 4.19 0.00 7.34 -1.52 -1.08 -2.35 119.66 125.05 1gf4 s GLN 126 Ca 0.13 2.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.98 1gf4 s GLN 126 Cb 0.10 -3.13 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 1gf4 s GLN 126 CO 0.20 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 175.01 1gf4 n GLY 127 N 3.76 0.87 0.00 3.09 0.00 -1.26 -4.91 105.19 106.74 1gf4 n GLY 127 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1gf4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf4 n GLY 129 N 1.50 0.20 0.41 0.00 0.00 -1.26 -4.80 105.19 101.25 1gf4 n GLY 129 Ca 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1gf4 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65