#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gd0 s MET 2 N 0.00 0.50 -0.09 -0.52 0.23 -0.66 -0.99 119.30 117.76 1gd0 s MET 2 Ca 0.00 -0.13 0.04 0.00 -1.03 0.00 0.00 55.69 54.56 1gd0 s MET 2 Cb 0.00 -0.51 0.00 0.00 -1.53 0.00 0.00 34.83 32.79 1gd0 s MET 2 CO 0.00 0.04 -0.21 0.12 -2.03 0.00 0.00 175.02 172.94 1gd0 s PHE 3 N 0.26 2.25 -0.05 3.16 5.36 -0.06 -1.21 117.98 127.69 1gd0 s PHE 3 Ca -0.03 -0.89 0.05 0.00 -0.96 0.00 0.00 56.93 55.10 1gd0 s PHE 3 Cb -0.06 -1.53 -0.01 0.00 -0.34 0.00 0.00 43.02 41.08 1gd0 s PHE 3 CO -0.00 -0.37 -0.20 0.42 -1.46 0.00 0.00 175.22 173.61 1gd0 s ILE 4 N 0.41 1.63 -0.10 3.12 -1.09 -0.33 -1.12 121.20 123.72 1gd0 s ILE 4 Ca -0.17 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 1gd0 s ILE 4 Cb -0.17 -1.39 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 1gd0 s ILE 4 CO 0.07 0.46 -0.09 0.54 -1.23 0.00 0.00 174.94 174.70 1gd0 s VAL 5 N -0.03 1.05 -0.16 2.92 0.11 -0.42 -1.43 120.40 122.45 1gd0 s VAL 5 Ca -0.04 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1gd0 s VAL 5 Cb -0.12 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1gd0 s VAL 5 CO 0.03 0.36 -0.02 0.20 -3.33 0.00 0.00 175.10 172.34 1gd0 s ASN 6 N 1.49 4.91 0.05 3.54 0.01 -0.03 -0.29 114.94 124.62 1gd0 s ASN 6 Ca 0.01 -0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 51.97 1gd0 s ASN 6 Cb -0.13 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1gd0 s ASN 6 CO -0.06 0.17 0.20 0.28 -1.51 0.00 0.00 177.10 176.19 1gd0 s THR 7 N 0.34 0.11 -1.90 1.60 -1.32 0.09 -0.91 115.64 113.66 1gd0 s THR 7 Ca -0.03 -0.93 0.28 0.00 -1.21 0.00 0.00 61.69 59.81 1gd0 s THR 7 Cb -0.14 -0.99 0.47 0.00 -1.51 0.00 0.00 72.50 70.33 1gd0 s THR 7 CO 0.03 -0.51 1.79 -0.46 -2.21 0.00 0.00 174.62 173.25 1gd0 n ASN 8 N 0.54 0.81 -4.77 8.08 6.94 -1.24 -1.10 115.26 124.53 1gd0 n ASN 8 Ca -0.18 -0.91 -0.40 0.00 -0.02 0.00 0.00 54.58 53.07 1gd0 n ASN 8 Cb 0.60 0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.01 1gd0 n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gd0 s VAL 9 N -2.33 2.42 0.58 3.53 1.01 -1.26 -4.22 120.40 120.13 1gd0 s VAL 9 Ca 0.31 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.52 1gd0 s VAL 9 Cb 0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1gd0 s VAL 9 CO 0.45 0.09 1.19 -2.84 0.00 0.00 0.00 175.10 173.98 1gd0 s PRO 10 N -2.02 3.06 0.30 2.72 0.02 -1.26 -0.62 135.00 137.20 1gd0 s PRO 10 Ca 0.52 1.77 0.03 0.00 0.02 0.00 0.00 61.00 63.34 1gd0 s PRO 10 Cb -0.42 -1.95 0.60 0.00 0.02 0.00 0.00 34.50 32.76 1gd0 s PRO 10 CO 0.56 -1.12 1.86 -0.09 -0.33 0.00 0.00 177.00 177.88 1gd0 h ARG 11 N 0.94 0.91 -0.03 5.54 2.43 -1.92 -1.34 114.38 120.92 1gd0 h ARG 11 Ca -0.50 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1gd0 h ARG 11 Cb 1.29 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1gd0 h ARG 11 CO 0.55 0.61 0.06 0.00 -1.51 0.00 0.00 179.97 179.68 1gd0 h ALA 12 N 1.54 1.33 -0.00 2.80 0.00 -2.03 -0.88 119.26 122.03 1gd0 h ALA 12 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1gd0 h ALA 12 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gd0 h ALA 12 CO -0.22 -0.07 -0.10 0.43 0.00 0.00 0.00 179.25 179.29 1gd0 n SER 13 N -3.45 0.34 -4.64 0.00 7.64 -0.51 -4.75 113.62 108.26 1gd0 n SER 13 Ca -0.02 -0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.04 1gd0 n SER 13 Cb 0.14 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1gd0 n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gd0 s VAL 14 N -2.56 4.75 0.48 0.44 1.01 -0.34 -4.74 120.40 119.44 1gd0 s VAL 14 Ca 0.27 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.72 1gd0 s VAL 14 Cb 0.20 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1gd0 s VAL 14 CO 0.49 -0.18 1.01 -2.16 0.00 0.00 0.00 175.10 174.26 1gd0 s PRO 15 N 3.06 3.90 0.34 2.72 0.04 -1.26 -4.99 135.00 138.81 1gd0 s PRO 15 Ca 0.38 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1gd0 s PRO 15 Cb -0.15 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 1gd0 s PRO 15 CO 0.09 -0.33 1.43 -0.25 0.04 0.00 0.00 177.00 177.98 1gd0 n ASP 16 N -1.01 3.40 0.00 6.66 10.43 -1.26 -1.98 116.55 132.80 1gd0 n ASP 16 Ca 0.08 1.20 0.00 0.00 2.57 0.00 0.00 54.79 58.65 1gd0 n ASP 16 Cb 0.53 -1.56 0.00 0.00 1.84 0.00 0.00 41.12 41.93 1gd0 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1gd0 n GLY 17 N 0.92 0.82 0.21 0.44 0.00 -1.26 -4.99 105.19 101.33 1gd0 n GLY 17 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1gd0 n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gd0 h PHE 18 N 0.00 -0.44 -0.74 1.61 3.57 -1.79 0.87 116.94 120.02 1gd0 h PHE 18 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1gd0 h PHE 18 Cb 0.00 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1gd0 h PHE 18 CO 0.00 -0.25 0.49 -0.07 -2.23 0.00 0.00 178.31 176.25 1gd0 h LEU 19 N -0.34 0.75 -0.29 0.59 3.38 -1.94 -1.12 115.31 116.34 1gd0 h LEU 19 Ca 0.02 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1gd0 h LEU 19 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gd0 h LEU 19 CO -0.08 0.51 -0.58 0.28 0.09 0.00 0.00 178.44 178.66 1gd0 h SER 20 N 0.87 0.96 -0.45 -0.43 0.02 -1.84 -1.39 113.55 111.28 1gd0 h SER 20 Ca 0.30 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1gd0 h SER 20 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1gd0 h SER 20 CO -0.09 1.33 0.17 -0.08 -1.14 0.00 0.00 176.83 177.02 1gd0 h GLU 21 N 0.65 0.69 -0.51 3.45 4.81 -0.48 -0.82 114.58 122.36 1gd0 h GLU 21 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1gd0 h GLU 21 Cb 1.19 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1gd0 h GLU 21 CO 0.13 0.64 0.32 -0.07 -0.73 0.00 0.00 179.01 179.29 1gd0 h LEU 22 N 0.59 0.61 0.06 1.64 3.38 -1.14 0.05 115.31 120.50 1gd0 h LEU 22 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gd0 h LEU 22 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1gd0 h LEU 22 CO -0.01 0.47 -0.06 0.74 0.09 0.00 0.00 178.44 179.67 1gd0 h THR 23 N 0.69 0.87 -0.43 0.22 2.02 -1.02 -1.06 112.91 114.19 1gd0 h THR 23 Ca 0.19 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.27 1gd0 h THR 23 Cb -0.04 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1gd0 h THR 23 CO -0.04 0.00 -0.12 1.56 0.37 0.00 0.00 175.52 177.30 1gd0 h GLN 24 N -0.13 0.84 -0.02 6.66 4.20 -1.02 -1.68 115.11 123.96 1gd0 h GLN 24 Ca 0.00 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.25 1gd0 h GLN 24 Cb 0.13 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1gd0 h GLN 24 CO -0.02 0.96 -0.63 1.96 -0.67 0.00 0.00 178.83 180.44 1gd0 h GLN 25 N 0.67 0.06 -0.01 1.46 1.08 -0.96 -1.52 115.11 115.90 1gd0 h GLN 25 Ca 0.11 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.08 1gd0 h GLN 25 Cb 0.66 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1gd0 h GLN 25 CO 0.05 0.67 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.72 1gd0 h LEU 26 N 0.04 0.20 -0.31 1.46 3.38 -1.16 -0.41 115.31 118.52 1gd0 h LEU 26 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1gd0 h LEU 26 Cb 1.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1gd0 h LEU 26 CO 0.09 0.92 0.13 0.00 0.09 0.00 0.00 178.44 179.67 1gd0 h ALA 27 N 1.07 0.40 -0.27 1.53 0.00 -0.93 -0.05 119.26 121.01 1gd0 h ALA 27 Ca -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gd0 h ALA 27 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1gd0 h ALA 27 CO 0.12 -0.01 0.15 0.37 0.00 0.00 0.00 179.25 179.87 1gd0 h GLN 28 N 0.36 0.37 -0.42 0.00 5.75 -1.16 -1.50 115.11 118.52 1gd0 h GLN 28 Ca 0.10 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.43 1gd0 h GLN 28 Cb 0.16 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1gd0 h GLN 28 CO -0.01 0.32 -0.28 0.00 -2.65 0.00 0.00 178.83 176.21 1gd0 h ALA 29 N 1.03 0.71 0.00 3.38 0.00 -0.84 -3.22 119.26 120.32 1gd0 h ALA 29 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gd0 h ALA 29 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gd0 h ALA 29 CO -0.02 0.67 -0.57 1.79 0.00 0.00 0.00 179.25 181.12 1gd0 h THR 30 N 0.76 0.00 0.00 0.00 1.35 -1.00 -3.48 112.91 110.54 1gd0 h THR 30 Ca 0.09 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1gd0 h THR 30 Cb 0.84 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1gd0 h THR 30 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1gd0 n GLY 31 N 1.33 0.59 3.92 5.82 0.00 -0.57 -4.93 105.19 111.35 1gd0 n GLY 31 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1gd0 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gd0 s LYS 32 N -0.12 3.55 0.35 1.61 -0.14 -1.19 -5.04 119.74 118.75 1gd0 s LYS 32 Ca 0.00 -0.24 -0.28 0.00 -1.36 0.00 0.00 55.97 54.08 1gd0 s LYS 32 Cb 0.00 -2.75 -0.10 0.00 -1.68 0.00 0.00 37.83 33.30 1gd0 s LYS 32 CO 0.00 0.30 1.32 -2.14 -0.76 0.00 0.00 175.35 174.07 1gd0 s PRO 33 N -3.59 4.28 0.53 -1.68 0.02 -1.26 -4.59 135.00 128.70 1gd0 s PRO 33 Ca 0.40 2.23 0.21 0.00 0.02 0.00 0.00 61.00 63.87 1gd0 s PRO 33 Cb -0.11 -3.01 1.39 0.00 0.02 0.00 0.00 34.50 32.79 1gd0 s PRO 33 CO 0.31 -0.26 2.09 -1.00 -0.33 0.00 0.00 177.00 177.81 1gd0 h PRO 34 N 3.24 0.00 0.00 5.54 0.13 -1.90 -1.06 132.00 137.94 1gd0 h PRO 34 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1gd0 h PRO 34 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1gd0 h PRO 34 CO 0.65 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.86 1gd0 h GLN 35 N 0.00 0.00 -0.30 0.86 -0.00 -1.96 -1.52 115.11 112.19 1gd0 h GLN 35 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1gd0 h GLN 35 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 1gd0 h GLN 35 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 1gd0 n TYR 36 N -2.34 0.38 -3.29 0.06 4.01 -0.40 -4.93 117.16 110.64 1gd0 n TYR 36 Ca 0.00 -0.21 -0.39 0.00 -0.16 0.00 0.00 57.90 57.15 1gd0 n TYR 36 Cb 0.15 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 1gd0 n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gd0 s ILE 37 N -1.47 5.15 -0.04 -0.72 -1.09 -0.57 -2.23 121.20 120.23 1gd0 s ILE 37 Ca 0.33 0.91 0.04 0.00 -2.23 0.00 0.00 60.65 59.70 1gd0 s ILE 37 Cb 0.20 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1gd0 s ILE 37 CO 0.28 0.23 -0.14 0.00 -1.23 0.00 0.00 174.94 174.08 1gd0 s ALA 38 N 1.31 2.68 0.02 9.38 0.00 -0.16 -4.99 121.76 130.00 1gd0 s ALA 38 Ca 0.24 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1gd0 s ALA 38 Cb -0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1gd0 s ALA 38 CO 0.09 0.56 -0.10 0.08 0.00 0.00 0.00 175.76 176.40 1gd0 s VAL 39 N -0.77 0.74 -0.05 0.00 1.01 -1.26 -0.88 120.40 119.18 1gd0 s VAL 39 Ca 0.12 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1gd0 s VAL 39 Cb -0.11 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1gd0 s VAL 39 CO 0.02 -0.01 0.08 -2.28 0.00 0.00 0.00 175.10 172.90 1gd0 s HIS 40 N -0.66 0.01 -0.16 5.22 5.04 -0.28 -4.97 115.29 119.48 1gd0 s HIS 40 Ca -0.01 0.32 -0.02 0.00 -1.54 0.00 0.00 55.06 53.82 1gd0 s HIS 40 Cb -0.06 -0.41 -0.01 0.00 0.04 0.00 0.00 32.58 32.14 1gd0 s HIS 40 CO 0.00 -0.20 -0.10 0.08 -2.34 0.00 0.00 174.74 172.19 1gd0 s VAL 41 N 2.08 3.16 -0.42 0.89 1.01 -1.26 -1.30 120.40 124.56 1gd0 s VAL 41 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1gd0 s VAL 41 Cb -0.12 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.01 1gd0 s VAL 41 CO -0.04 0.49 0.16 -0.69 0.00 0.00 0.00 175.10 175.02 1gd0 s VAL 42 N 0.74 2.22 0.84 2.92 1.01 0.61 -4.99 120.40 123.75 1gd0 s VAL 42 Ca -0.04 -2.70 -0.07 0.00 0.00 0.00 0.00 61.98 59.17 1gd0 s VAL 42 Cb -0.15 -2.59 0.18 0.00 0.00 0.00 0.00 36.38 33.81 1gd0 s VAL 42 CO 0.02 -0.72 1.15 -2.16 0.00 0.00 0.00 175.10 173.39 1gd0 s PRO 43 N 0.41 1.09 -1.72 2.72 0.04 -1.26 -0.73 135.00 135.55 1gd0 s PRO 43 Ca 0.14 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.22 1gd0 s PRO 43 Cb -0.22 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1gd0 s PRO 43 CO -0.05 -1.95 0.00 -0.25 0.04 0.00 0.00 177.00 174.79 1gd0 n ASP 44 N -3.26 -5.22 -4.85 6.66 8.00 0.21 -4.83 116.55 113.26 1gd0 n ASP 44 Ca 0.17 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.53 1gd0 n ASP 44 Cb 0.60 -4.46 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 1gd0 n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1gd0 s GLN 45 N -4.54 3.93 -0.61 -1.24 -1.52 -0.26 -4.93 119.66 110.49 1gd0 s GLN 45 Ca 0.00 0.90 -0.21 0.00 -1.95 0.00 0.00 55.36 54.09 1gd0 s GLN 45 Cb 0.00 -2.17 0.07 0.00 -0.22 0.00 0.00 33.01 30.70 1gd0 s GLN 45 CO 0.00 -0.24 0.85 -1.17 -0.25 0.00 0.00 175.29 174.49 1gd0 s LEU 46 N -4.03 4.69 0.14 2.90 2.96 -1.26 -4.11 118.68 119.97 1gd0 s LEU 46 Ca 0.58 -1.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1gd0 s LEU 46 Cb -0.10 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 1gd0 s LEU 46 CO 0.31 -1.27 0.24 0.00 -1.32 0.00 0.00 176.35 174.31 1gd0 s MET 47 N 3.52 1.04 0.02 1.98 0.23 -1.26 -5.07 119.30 119.76 1gd0 s MET 47 Ca 0.19 -1.12 -0.05 0.00 -1.03 0.00 0.00 55.69 53.68 1gd0 s MET 47 Cb -0.19 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 1gd0 s MET 47 CO 0.10 -0.36 0.08 0.00 -2.03 0.00 0.00 175.02 172.81 1gd0 s ALA 48 N -3.94 -0.12 -0.12 3.16 0.00 -1.26 -4.63 121.76 114.86 1gd0 s ALA 48 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1gd0 s ALA 48 Cb 0.04 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1gd0 s ALA 48 CO -0.03 -0.23 -0.00 0.12 0.00 0.00 0.00 175.76 175.62 1gd0 s PHE 49 N -1.81 0.91 -1.16 0.00 2.19 -0.44 -4.73 117.98 112.95 1gd0 s PHE 49 Ca -0.12 -0.47 0.00 0.00 0.33 0.00 0.00 56.93 56.67 1gd0 s PHE 49 Cb -0.06 -0.94 0.00 0.00 -1.31 0.00 0.00 43.02 40.71 1gd0 s PHE 49 CO -0.01 -0.44 0.00 0.41 1.83 0.00 0.00 175.22 177.00 1gd0 n GLY 50 N 5.08 1.22 2.01 13.12 0.00 -1.26 -2.13 105.19 123.23 1gd0 n GLY 50 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1gd0 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd0 n GLY 51 N -1.60 0.82 3.63 -0.02 0.00 -1.26 -5.04 105.19 101.72 1gd0 n GLY 51 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1gd0 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gd0 s SER 52 N -2.83 4.78 -0.15 1.61 0.15 -0.91 -5.02 113.70 111.34 1gd0 s SER 52 Ca 0.00 -0.16 0.15 0.00 0.70 0.00 0.00 55.95 56.64 1gd0 s SER 52 Cb 0.00 -1.12 0.70 0.00 -1.71 0.00 0.00 66.02 63.89 1gd0 s SER 52 CO 0.00 0.24 1.59 -1.54 1.20 0.00 0.00 173.24 174.73 1gd0 n SER 53 N 1.16 4.78 -4.71 5.45 3.41 -1.26 -1.33 113.62 121.12 1gd0 n SER 53 Ca -0.14 -2.58 -0.31 0.00 -0.26 0.00 0.00 58.87 55.58 1gd0 n SER 53 Cb 0.52 -0.60 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 1gd0 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gd0 s GLU 54 N -2.12 1.58 0.20 4.33 2.02 -1.26 -4.85 118.70 118.59 1gd0 s GLU 54 Ca 0.48 1.43 -0.32 0.00 0.02 0.00 0.00 54.97 56.58 1gd0 s GLU 54 Cb 0.33 -1.80 -0.15 0.00 0.10 0.00 0.00 34.13 32.61 1gd0 s GLU 54 CO 0.20 -2.20 1.08 -2.30 0.02 0.00 0.00 175.26 172.06 1gd0 n PRO 55 N -3.84 1.10 -3.95 0.39 -0.02 -1.26 -4.84 135.00 122.58 1gd0 n PRO 55 Ca 0.11 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1gd0 n PRO 55 Cb 0.52 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1gd0 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gd0 s ALA 57 N -3.50 -0.90 -0.15 0.00 0.00 -0.64 -3.61 121.76 112.95 1gd0 s ALA 57 Ca 0.20 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1gd0 s ALA 57 Cb -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1gd0 s ALA 57 CO 0.11 -0.19 -0.19 -0.51 0.00 0.00 0.00 175.76 174.98 1gd0 s LEU 58 N -0.08 2.00 0.29 0.00 1.43 -0.08 -1.76 118.68 120.48 1gd0 s LEU 58 Ca -0.02 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1gd0 s LEU 58 Cb -0.03 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1gd0 s LEU 58 CO 0.01 0.02 0.09 0.00 0.23 0.00 0.00 176.35 176.70 1gd0 s SER 60 N -3.40 -0.24 -0.10 0.00 1.04 -0.51 -0.71 113.70 109.79 1gd0 s SER 60 Ca 0.37 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1gd0 s SER 60 Cb 0.08 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1gd0 s SER 60 CO 0.15 -0.32 -0.08 -0.22 0.98 0.00 0.00 173.24 173.74 1gd0 s LEU 61 N -0.79 1.25 -0.12 2.42 2.96 -0.01 -1.18 118.68 123.20 1gd0 s LEU 61 Ca -0.09 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1gd0 s LEU 61 Cb -0.04 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 1gd0 s LEU 61 CO 0.03 -0.09 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.86 1gd0 s HIS 62 N 1.46 2.85 -0.07 5.38 3.76 -0.35 -1.04 115.29 127.28 1gd0 s HIS 62 Ca -0.00 -0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 54.26 1gd0 s HIS 62 Cb -0.13 -1.84 0.03 0.00 1.11 0.00 0.00 32.58 31.75 1gd0 s HIS 62 CO -0.05 -0.12 0.35 0.45 -0.85 0.00 0.00 174.74 174.52 1gd0 s SER 63 N 0.20 -0.29 -0.68 1.40 0.15 -0.70 -1.66 113.70 112.12 1gd0 s SER 63 Ca -0.07 0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.75 1gd0 s SER 63 Cb -0.15 0.52 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1gd0 s SER 63 CO 0.05 -0.30 1.10 -0.63 1.20 0.00 0.00 173.24 174.65 1gd0 s ILE 64 N -0.61 4.07 0.00 6.45 1.01 -1.26 -0.61 121.20 130.25 1gd0 s ILE 64 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1gd0 s ILE 64 Cb -0.04 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1gd0 s ILE 64 CO 0.03 -1.59 0.00 0.61 0.00 0.00 0.00 174.94 173.98 1gd0 n GLY 65 N 5.32 -2.24 2.37 6.18 0.00 -1.26 -4.94 105.19 110.63 1gd0 n GLY 65 Ca -0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 1gd0 n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gd0 n LYS 66 N -0.89 -1.44 -4.48 1.61 4.76 -1.26 -4.90 118.16 111.56 1gd0 n LYS 66 Ca 0.00 0.92 -0.29 0.00 -2.87 0.00 0.00 58.31 56.07 1gd0 n LYS 66 Cb 0.01 -5.41 -0.17 0.00 -1.84 0.00 0.00 35.03 27.62 1gd0 n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1gd0 s ILE 67 N -2.88 1.61 -0.05 -0.18 -1.09 -1.26 -4.85 121.20 112.49 1gd0 s ILE 67 Ca 0.00 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.41 1gd0 s ILE 67 Cb 0.00 -1.46 0.10 0.00 -1.58 0.00 0.00 42.46 39.52 1gd0 s ILE 67 CO 0.00 0.46 1.33 -0.83 -1.23 0.00 0.00 174.94 174.67 1gd0 s GLY 68 N 0.98 -0.19 0.03 6.18 0.00 -1.26 -4.98 107.32 108.07 1gd0 s GLY 68 Ca -0.06 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.74 1gd0 s GLY 68 CO -0.02 5.74 1.12 -1.33 0.00 0.00 0.00 173.10 178.61 1gd0 h GLY 69 N 2.00 -1.50 1.04 0.20 0.00 -1.99 0.16 103.07 102.97 1gd0 h GLY 69 Ca -0.22 0.70 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 1gd0 h GLY 69 CO 0.30 -0.52 0.13 0.00 0.00 0.00 0.00 176.54 176.45 1gd0 h ALA 70 N -1.15 0.84 -0.73 3.60 0.00 -2.00 -2.43 119.26 117.40 1gd0 h ALA 70 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1gd0 h ALA 70 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1gd0 h ALA 70 CO -0.10 0.57 0.36 1.96 0.00 0.00 0.00 179.25 182.03 1gd0 h GLN 71 N 0.94 1.04 -0.10 0.00 4.20 -1.91 -1.48 115.11 117.80 1gd0 h GLN 71 Ca 0.20 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1gd0 h GLN 71 Cb 0.39 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1gd0 h GLN 71 CO 0.01 0.81 -0.44 -0.91 -0.67 0.00 0.00 178.83 177.63 1gd0 h ASN 72 N 1.01 0.24 -0.48 1.46 2.35 -0.55 0.04 115.58 119.65 1gd0 h ASN 72 Ca 0.25 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1gd0 h ASN 72 Cb 0.11 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1gd0 h ASN 72 CO -0.03 0.65 -0.06 0.03 -1.65 0.00 0.00 177.43 176.36 1gd0 h ARG 73 N 0.18 0.94 -0.49 0.81 3.08 -1.05 -0.56 114.38 117.28 1gd0 h ARG 73 Ca 0.01 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 1gd0 h ARG 73 Cb 0.85 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1gd0 h ARG 73 CO 0.07 0.96 0.09 1.03 -1.07 0.00 0.00 179.97 181.05 1gd0 h SER 74 N 0.85 0.77 -0.69 7.04 0.87 -0.69 -1.69 113.55 120.01 1gd0 h SER 74 Ca 0.14 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1gd0 h SER 74 Cb 0.59 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1gd0 h SER 74 CO 0.04 0.82 0.22 1.88 -0.53 0.00 0.00 176.83 179.26 1gd0 h TYR 75 N 0.68 1.10 -0.47 2.24 0.05 -0.82 -1.54 116.97 118.20 1gd0 h TYR 75 Ca 0.15 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 1gd0 h TYR 75 Cb 0.38 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1gd0 h TYR 75 CO 0.03 0.88 0.00 0.77 -1.05 0.00 0.00 178.16 178.78 1gd0 h SER 76 N 1.00 0.75 -0.35 3.88 0.02 -0.88 0.14 113.55 118.12 1gd0 h SER 76 Ca 0.22 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1gd0 h SER 76 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1gd0 h SER 76 CO -0.01 0.82 -0.07 0.50 -1.14 0.00 0.00 176.83 176.93 1gd0 h LYS 77 N 0.73 0.66 0.14 3.45 3.64 -0.95 0.05 116.57 124.29 1gd0 h LYS 77 Ca 0.14 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1gd0 h LYS 77 Cb 0.44 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1gd0 h LYS 77 CO 0.02 0.82 -0.07 1.25 -2.27 0.00 0.00 179.45 179.20 1gd0 h LEU 78 N 0.45 -0.16 -0.27 5.20 5.85 -1.02 -1.75 115.31 123.62 1gd0 h LEU 78 Ca 0.09 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1gd0 h LEU 78 Cb 0.57 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1gd0 h LEU 78 CO 0.03 -0.03 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.60 1gd0 h LEU 79 N -0.28 0.85 -1.20 2.25 3.38 -0.72 -1.54 115.31 118.06 1gd0 h LEU 79 Ca -0.02 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1gd0 h LEU 79 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1gd0 h LEU 79 CO 0.03 1.21 0.14 0.00 0.09 0.00 0.00 178.44 179.91 1gd0 h GLY 81 N 0.87 0.79 1.08 0.00 0.00 -0.99 0.50 103.07 105.32 1gd0 h GLY 81 Ca 0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1gd0 h GLY 81 CO -0.01 0.42 -0.01 1.41 0.00 0.00 0.00 176.54 178.35 1gd0 h LEU 82 N 0.63 1.05 -0.89 3.11 3.38 -0.78 -0.89 115.31 120.92 1gd0 h LEU 82 Ca 0.16 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1gd0 h LEU 82 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1gd0 h LEU 82 CO -0.01 1.11 -0.34 -0.07 0.09 0.00 0.00 178.44 179.22 1gd0 h LEU 83 N 0.97 0.42 -0.06 1.67 3.38 -0.71 0.15 115.31 121.13 1gd0 h LEU 83 Ca 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gd0 h LEU 83 Cb 0.57 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gd0 h LEU 83 CO 0.03 0.74 -0.08 0.00 0.09 0.00 0.00 178.44 179.22 1gd0 h ALA 84 N 1.29 0.09 -0.27 1.53 0.00 -0.74 -1.06 119.26 120.09 1gd0 h ALA 84 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1gd0 h ALA 84 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gd0 h ALA 84 CO 0.06 -0.08 -0.10 1.49 0.00 0.00 0.00 179.25 180.62 1gd0 h GLU 85 N -0.31 0.55 0.08 0.00 4.81 -1.07 -2.02 114.58 116.63 1gd0 h GLU 85 Ca 0.01 -0.23 -0.34 0.00 -0.13 0.00 0.00 59.36 58.68 1gd0 h GLU 85 Cb 0.62 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1gd0 h GLU 85 CO 0.02 0.78 -1.85 0.00 -0.73 0.00 0.00 179.01 177.22 1gd0 h ARG 86 N 0.30 0.18 -0.02 1.92 2.47 -0.81 -3.39 114.38 115.02 1gd0 h ARG 86 Ca 0.07 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1gd0 h ARG 86 Cb 0.59 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1gd0 h ARG 86 CO 0.03 0.97 0.00 1.28 0.56 0.00 0.00 179.97 182.81 1gd0 n LEU 87 N -3.33 1.91 -3.32 3.04 4.77 -0.47 -4.60 117.00 115.00 1gd0 n LEU 87 Ca -0.25 -1.03 -0.23 0.00 -0.03 0.00 0.00 56.01 54.47 1gd0 n LEU 87 Cb 1.05 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 1gd0 n LEU 87 CO 0.45 0.37 0.15 0.54 -1.33 0.00 0.00 177.39 177.56 1gd0 n ARG 88 N 0.59 -6.67 -3.85 3.23 3.00 -0.76 -4.96 116.66 107.25 1gd0 n ARG 88 Ca 0.06 0.85 -0.35 0.00 -0.01 0.00 0.00 57.85 58.41 1gd0 n ARG 88 Cb 0.27 -5.80 -0.08 0.00 0.00 0.00 0.00 32.46 26.85 1gd0 n ARG 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1gd0 s ILE 89 N -3.26 5.18 0.23 0.55 1.01 -0.97 -4.91 121.20 119.04 1gd0 s ILE 89 Ca 0.47 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 1gd0 s ILE 89 Cb -0.21 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 1gd0 s ILE 89 CO 0.58 0.47 1.39 -0.44 0.00 0.00 0.00 174.94 176.93 1gd0 s SER 90 N 0.21 6.75 0.50 3.58 0.01 -1.26 -3.49 113.70 120.01 1gd0 s SER 90 Ca 0.07 2.57 0.23 0.00 1.31 0.00 0.00 55.95 60.13 1gd0 s SER 90 Cb -0.12 -2.62 1.31 0.00 0.21 0.00 0.00 66.02 64.80 1gd0 s SER 90 CO -0.01 -0.63 1.98 -0.65 0.41 0.00 0.00 173.24 174.34 1gd0 h PRO 91 N 5.07 0.11 0.00 12.44 0.11 -1.97 0.24 132.00 148.01 1gd0 h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1gd0 h PRO 91 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1gd0 h PRO 91 CO 0.77 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1gd0 n ASP 92 N -4.40 0.00 -0.51 -2.05 5.68 -1.26 -2.56 116.55 111.45 1gd0 n ASP 92 Ca 0.11 -1.51 0.07 0.00 -0.50 0.00 0.00 54.79 52.96 1gd0 n ASP 92 Cb 0.59 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.76 1gd0 n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gd0 n ARG 93 N -0.67 1.47 -4.74 0.11 1.74 0.07 -5.01 116.66 109.65 1gd0 n ARG 93 Ca 0.07 -3.11 -0.25 0.00 -0.77 0.00 0.00 57.85 53.79 1gd0 n ARG 93 Cb 0.03 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.76 1gd0 n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gd0 s VAL 94 N -3.06 1.31 -0.03 1.55 1.01 -1.06 -1.62 120.40 118.50 1gd0 s VAL 94 Ca 0.36 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1gd0 s VAL 94 Cb 0.35 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1gd0 s VAL 94 CO -0.05 0.39 -0.24 -0.31 0.00 0.00 0.00 175.10 174.88 1gd0 s TYR 95 N 0.26 2.26 -0.13 5.22 2.02 -0.72 -5.00 117.35 121.25 1gd0 s TYR 95 Ca -0.08 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1gd0 s TYR 95 Cb -0.13 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1gd0 s TYR 95 CO 0.03 -0.10 -0.07 0.42 -1.57 0.00 0.00 175.55 174.26 1gd0 s ILE 96 N -0.43 1.07 -0.12 2.71 1.01 -1.26 -0.46 121.20 123.72 1gd0 s ILE 96 Ca 0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 1gd0 s ILE 96 Cb -0.11 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1gd0 s ILE 96 CO 0.01 0.28 0.59 0.20 0.00 0.00 0.00 174.94 176.01 1gd0 s ASN 97 N 1.67 6.78 -0.14 3.58 0.01 0.11 -4.93 114.94 122.02 1gd0 s ASN 97 Ca 0.03 0.94 -0.06 0.00 -0.71 0.00 0.00 52.86 53.06 1gd0 s ASN 97 Cb -0.14 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1gd0 s ASN 97 CO -0.08 -0.10 0.08 -0.31 -1.51 0.00 0.00 177.10 175.17 1gd0 s TYR 98 N 0.99 3.34 -0.12 2.20 2.02 -1.26 -0.83 117.35 123.68 1gd0 s TYR 98 Ca 0.30 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 1gd0 s TYR 98 Cb -0.16 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1gd0 s TYR 98 CO 0.13 0.40 -0.11 0.71 -1.57 0.00 0.00 175.55 175.11 1gd0 s TYR 99 N -0.31 1.76 -0.54 2.71 2.02 -0.20 -4.97 117.35 117.82 1gd0 s TYR 99 Ca 0.09 -0.91 -0.21 0.00 -0.37 0.00 0.00 57.07 55.67 1gd0 s TYR 99 Cb -0.12 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.14 1gd0 s TYR 99 CO 0.01 -0.55 0.74 0.34 -1.57 0.00 0.00 175.55 174.53 1gd0 s ASP 100 N 1.51 6.24 0.17 2.29 -1.08 -1.26 -1.72 116.67 122.82 1gd0 s ASP 100 Ca 0.03 -0.85 -0.22 0.00 -0.52 0.00 0.00 52.55 50.98 1gd0 s ASP 100 Cb -0.13 -2.34 -0.08 0.00 -1.46 0.00 0.00 42.92 38.91 1gd0 s ASP 100 CO -0.08 -1.05 0.72 -0.04 0.52 0.00 0.00 175.17 175.24 1gd0 s MET 101 N 3.09 4.40 0.26 4.34 -1.94 0.22 -4.88 119.30 124.78 1gd0 s MET 101 Ca 0.19 0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 54.86 1gd0 s MET 101 Cb -0.18 -3.12 -0.09 0.00 2.01 0.00 0.00 34.83 33.44 1gd0 s MET 101 CO 0.13 0.52 1.01 1.21 -0.01 0.00 0.00 175.02 177.88 1gd0 s ASN 102 N -1.31 7.48 0.46 3.03 3.84 -1.26 -4.03 114.94 123.14 1gd0 s ASN 102 Ca 0.37 2.09 0.14 0.00 0.21 0.00 0.00 52.86 55.68 1gd0 s ASN 102 Cb -0.20 -2.62 1.10 0.00 -0.55 0.00 0.00 41.25 38.98 1gd0 s ASN 102 CO 0.23 0.02 2.04 0.00 -2.79 0.00 0.00 177.10 176.60 1gd0 h ALA 103 N 3.99 2.01 0.00 1.71 0.00 -1.95 0.12 119.26 125.15 1gd0 h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gd0 h ALA 103 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gd0 h ALA 103 CO 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1gd0 h ALA 104 N 1.78 1.00 -0.66 0.00 0.00 -1.91 -2.85 119.26 116.62 1gd0 h ALA 104 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1gd0 h ALA 104 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gd0 h ALA 104 CO -0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1gd0 n ASN 105 N -2.50 4.95 -3.94 0.00 5.03 0.43 -4.81 115.26 114.42 1gd0 n ASN 105 Ca 0.01 -2.51 -0.30 0.00 0.87 0.00 0.00 54.58 52.66 1gd0 n ASN 105 Cb 0.24 -0.60 -0.16 0.00 -1.02 0.00 0.00 39.78 38.24 1gd0 n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1gd0 s VAL 106 N -1.96 1.43 0.22 2.41 1.01 -1.11 -4.89 120.40 117.51 1gd0 s VAL 106 Ca 0.53 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 1gd0 s VAL 106 Cb 0.35 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 1gd0 s VAL 106 CO 0.24 0.04 0.70 -0.83 0.00 0.00 0.00 175.10 175.25 1gd0 s GLY 107 N 1.47 2.58 -0.28 4.51 0.00 -1.26 -2.24 107.32 112.10 1gd0 s GLY 107 Ca -0.03 0.12 -0.23 0.00 0.00 0.00 0.00 44.72 44.59 1gd0 s GLY 107 CO -0.07 0.47 0.94 0.86 0.00 0.00 0.00 173.10 175.29 1gd0 s TRP 108 N -1.53 -0.59 -1.31 1.90 -0.00 -0.05 -4.96 118.94 112.39 1gd0 s TRP 108 Ca 0.43 1.37 -0.03 0.00 -0.00 0.00 0.00 56.10 57.86 1gd0 s TRP 108 Cb -0.16 0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.67 1gd0 s TRP 108 CO 0.21 -0.29 0.61 -1.71 -0.00 0.00 0.00 176.95 175.76 1gd0 n ASN 109 N 2.68 -1.57 0.00 5.86 4.05 -1.26 -1.89 115.26 123.14 1gd0 n ASN 109 Ca -0.14 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 53.97 1gd0 n ASN 109 Cb 0.56 -3.58 0.00 0.00 1.23 0.00 0.00 39.78 37.99 1gd0 n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1gd0 n ASN 110 N -2.98 -3.42 0.00 1.20 3.02 -1.26 -4.91 115.26 106.91 1gd0 n ASN 110 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1gd0 n ASN 110 Cb 0.67 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.82 1gd0 n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1gd0 n SER 111 N -0.42 0.00 -4.29 6.41 2.88 -0.79 -5.19 113.62 112.22 1gd0 n SER 111 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1gd0 n SER 111 Cb 0.21 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 1gd0 n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gd0 s THR 112 N -0.81 0.85 -1.06 2.46 -4.23 -1.26 -0.88 115.64 110.71 1gd0 s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1gd0 s THR 112 Cb 0.00 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.60 1gd0 s THR 112 CO 0.00 0.00 1.87 0.49 -0.54 0.00 0.00 174.62 176.44 1gd0 n PHE 113 N -0.87 0.00 0.50 3.99 3.72 -0.95 -4.84 117.46 119.02 1gd0 n PHE 113 Ca -0.06 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.38 1gd0 n PHE 113 Cb 0.66 -0.44 0.24 0.00 -0.94 0.00 0.00 39.48 39.00 1gd0 n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71