#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1go0 n SER -1 N 0.00 -4.34 -4.76 1.61 7.64 -1.26 -4.97 113.62 107.55 1go0 n SER -1 Ca 0.00 -0.60 -0.39 0.00 1.01 0.00 0.00 58.87 58.89 1go0 n SER -1 Cb 0.00 -4.98 -0.05 0.00 -1.01 0.00 0.00 64.21 58.17 1go0 n SER -1 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1go0 s VAL 1 N -3.35 3.91 0.00 0.44 0.11 -1.26 -4.94 120.40 115.31 1go0 s VAL 1 Ca 0.33 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 61.23 1go0 s VAL 1 Cb -0.15 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1go0 s VAL 1 CO 0.74 0.39 0.00 -0.67 -3.33 0.00 0.00 175.10 172.22 1go0 n ASP 2 N 1.20 3.93 0.00 3.54 2.03 -1.26 -5.03 116.55 120.96 1go0 n ASP 2 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1go0 n ASP 2 Cb 0.47 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1go0 n ASP 2 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1go0 n PHE 3 N -2.23 0.00 0.02 -0.67 7.35 -1.26 -4.48 117.46 116.20 1go0 n PHE 3 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1go0 n PHE 3 Cb 0.45 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.20 1go0 n PHE 3 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1go0 h ALA 4 N 0.00 -0.06 -0.78 3.13 0.00 -1.99 0.41 119.26 119.97 1go0 h ALA 4 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1go0 h ALA 4 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1go0 h ALA 4 CO 0.00 -0.36 0.44 0.35 0.00 0.00 0.00 179.25 179.68 1go0 h PHE 5 N -0.40 1.05 -0.61 0.00 3.57 -2.00 -1.33 116.94 117.22 1go0 h PHE 5 Ca -0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1go0 h PHE 5 Cb 0.37 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1go0 h PHE 5 CO 0.04 0.72 0.08 0.93 -2.23 0.00 0.00 178.31 177.85 1go0 h GLU 6 N 1.09 1.02 -0.60 1.11 5.08 -1.83 -0.51 114.58 119.93 1go0 h GLU 6 Ca 0.28 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1go0 h GLU 6 Cb 0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1go0 h GLU 6 CO -0.05 0.96 0.25 -0.07 -1.00 0.00 0.00 179.01 179.10 1go0 h LEU 7 N 0.92 0.83 0.01 1.33 3.38 0.41 0.20 115.31 122.39 1go0 h LEU 7 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1go0 h LEU 7 Cb 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1go0 h LEU 7 CO 0.02 0.77 -0.03 0.03 0.09 0.00 0.00 178.44 179.32 1go0 h ARG 8 N 0.83 -0.05 -0.47 1.13 2.47 -0.90 0.33 114.38 117.72 1go0 h ARG 8 Ca 0.20 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.84 1go0 h ARG 8 Cb 0.19 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1go0 h ARG 8 CO -0.02 -0.03 -0.05 0.87 0.56 0.00 0.00 179.97 181.30 1go0 h LYS 9 N -0.05 0.81 -0.62 0.04 1.79 -0.92 -0.05 116.57 117.57 1go0 h LYS 9 Ca 0.01 -0.24 -0.09 0.00 -2.18 0.00 0.00 60.65 58.14 1go0 h LYS 9 Cb 0.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1go0 h LYS 9 CO -0.02 0.85 0.04 0.00 -1.08 0.00 0.00 179.45 179.24 1go0 h ALA 10 N 1.20 0.90 -0.21 3.86 0.00 -0.31 0.46 119.26 125.15 1go0 h ALA 10 Ca 0.14 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1go0 h ALA 10 Cb 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1go0 h ALA 10 CO 0.03 0.66 -0.47 0.37 0.00 0.00 0.00 179.25 179.84 1go0 h GLN 11 N 0.97 0.69 0.04 0.00 4.15 -0.69 -1.31 115.11 118.96 1go0 h GLN 11 Ca 0.18 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 1go0 h GLN 11 Cb 0.51 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1go0 h GLN 11 CO 0.02 1.08 -0.02 0.22 -1.93 0.00 0.00 178.83 178.21 1go0 h ASP 12 N 0.40 -0.05 0.01 -0.69 1.82 -0.85 -3.42 116.42 113.64 1go0 h ASP 12 Ca 0.00 -0.59 -0.38 0.00 -0.39 0.00 0.00 57.03 55.68 1go0 h ASP 12 Cb 1.08 0.01 -0.06 0.00 0.68 0.00 0.00 39.33 41.05 1go0 h ASP 12 CO 0.10 0.59 -2.09 0.41 -1.61 0.00 0.00 179.24 176.64 1go0 n THR 13 N -4.81 1.54 0.00 2.25 -1.04 0.16 -4.99 114.28 107.40 1go0 n THR 13 Ca -0.09 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1go0 n THR 13 Cb 0.31 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 1go0 n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1go0 n GLY 14 N 1.42 0.88 2.69 3.41 0.00 -0.54 -4.96 105.19 108.08 1go0 n GLY 14 Ca -0.46 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1go0 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1go0 s LYS 15 N 0.02 0.02 -0.10 1.61 1.02 0.66 -4.80 119.74 118.17 1go0 s LYS 15 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.24 1go0 s LYS 15 Cb 0.00 -1.04 0.01 0.00 -0.52 0.00 0.00 37.83 36.28 1go0 s LYS 15 CO 0.00 -0.49 -0.20 0.42 -0.92 0.00 0.00 175.35 174.16 1go0 s ILE 16 N 2.20 1.83 -0.02 2.17 -1.09 -1.26 -0.89 121.20 124.13 1go0 s ILE 16 Ca 0.04 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 57.67 1go0 s ILE 16 Cb -0.14 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1go0 s ILE 16 CO -0.07 0.51 -0.26 -0.69 -1.23 0.00 0.00 174.94 173.20 1go0 s VAL 17 N 0.60 2.05 0.08 2.92 1.01 -0.15 -4.99 120.40 121.92 1go0 s VAL 17 Ca -0.14 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 1go0 s VAL 17 Cb -0.17 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1go0 s VAL 17 CO 0.04 0.58 1.49 -0.04 0.00 0.00 0.00 175.10 177.17 1go0 s MET 18 N -0.57 4.26 0.00 2.72 -1.94 -1.26 0.26 119.30 122.77 1go0 s MET 18 Ca 0.09 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.23 1go0 s MET 18 Cb -0.10 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.33 1go0 s MET 18 CO -0.01 -0.58 0.00 0.41 -0.01 0.00 0.00 175.02 174.84 1go0 n GLY 19 N 3.71 0.15 7.00 -0.03 0.00 0.22 -4.51 105.19 111.72 1go0 n GLY 19 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1go0 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1go0 n ALA 20 N -3.00 0.00 0.08 4.61 0.00 -1.04 -0.86 120.51 120.29 1go0 n ALA 20 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1go0 n ALA 20 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1go0 n ALA 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1go0 h ARG 21 N 0.00 0.29 0.00 0.00 0.11 -1.93 -2.45 114.38 110.40 1go0 h ARG 21 Ca 0.00 -0.14 -0.09 0.00 0.10 0.00 0.00 59.98 59.85 1go0 h ARG 21 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1go0 h ARG 21 CO 0.00 0.67 -0.41 0.87 0.10 0.00 0.00 179.97 181.19 1go0 h LYS 22 N 0.24 0.00 0.00 0.08 1.57 -1.28 -3.07 116.57 114.11 1go0 h LYS 22 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1go0 h LYS 22 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1go0 h LYS 22 CO 0.07 0.41 -0.09 1.03 -0.57 0.00 0.00 179.45 180.30 1go0 h SER 23 N 0.00 0.00 -0.72 0.86 0.87 -1.19 -2.39 113.55 110.98 1go0 h SER 23 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1go0 h SER 23 Cb 1.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1go0 h SER 23 CO 0.05 0.09 0.46 0.40 -0.53 0.00 0.00 176.83 177.30 1go0 h ILE 24 N 0.00 1.12 -0.13 2.23 1.08 -1.54 0.12 117.51 120.39 1go0 h ILE 24 Ca -0.00 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1go0 h ILE 24 Cb 0.18 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1go0 h ILE 24 CO 0.01 0.17 0.06 -0.61 -0.69 0.00 0.00 178.15 177.09 1go0 h GLN 25 N 0.90 0.18 -0.53 2.37 4.15 -1.62 0.11 115.11 120.68 1go0 h GLN 25 Ca 0.28 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1go0 h GLN 25 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1go0 h GLN 25 CO -0.10 0.24 0.27 1.88 -1.93 0.00 0.00 178.83 179.19 1go0 h TYR 26 N 0.08 0.75 -0.49 3.99 -1.99 -1.39 0.17 116.97 118.09 1go0 h TYR 26 Ca 0.04 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 1go0 h TYR 26 Cb 0.12 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 1go0 h TYR 26 CO -0.03 0.57 -0.19 0.00 -0.00 0.00 0.00 178.16 178.52 1go0 h ALA 27 N 1.10 0.74 -0.08 3.88 0.00 -0.68 0.16 119.26 124.39 1go0 h ALA 27 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1go0 h ALA 27 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1go0 h ALA 27 CO -0.03 0.67 0.03 -0.22 0.00 0.00 0.00 179.25 179.70 1go0 h LYS 28 N 0.85 0.12 -0.17 0.00 3.64 -0.46 -3.13 116.57 117.41 1go0 h LYS 28 Ca 0.12 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1go0 h LYS 28 Cb 0.75 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1go0 h LYS 28 CO 0.06 0.25 -0.66 0.52 -2.27 0.00 0.00 179.45 177.36 1go0 h MET 29 N -0.04 0.65 -0.36 1.90 2.86 -0.96 -3.48 114.93 115.51 1go0 h MET 29 Ca 0.03 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1go0 h MET 29 Cb 0.18 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1go0 h MET 29 CO -0.00 1.09 0.00 0.41 1.06 0.00 0.00 176.91 179.47 1go0 n GLY 30 N 0.48 0.97 0.14 8.32 0.00 0.45 -5.03 105.19 110.52 1go0 n GLY 30 Ca -0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1go0 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1go0 n GLY 31 N -0.18 -0.49 3.75 -0.02 0.00 -0.50 -4.94 105.19 102.81 1go0 n GLY 31 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1go0 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1go0 s ALA 32 N -2.54 3.43 -0.03 4.61 0.00 -1.25 -4.85 121.76 121.12 1go0 s ALA 32 Ca -0.27 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1go0 s ALA 32 Cb 0.07 -3.38 -0.26 0.00 0.00 0.00 0.00 23.12 19.55 1go0 s ALA 32 CO 0.71 -0.30 0.99 -0.22 0.00 0.00 0.00 175.76 176.94 1go0 h LYS 33 N 4.28 0.30 -3.41 0.00 1.63 -0.99 -3.46 116.57 114.92 1go0 h LYS 33 Ca -0.46 -0.39 -0.29 0.00 -0.85 0.00 0.00 60.65 58.66 1go0 h LYS 33 Cb 1.21 0.13 -0.34 0.00 -0.60 0.00 0.00 32.23 32.63 1go0 h LYS 33 CO 0.69 1.11 -0.69 -1.17 -3.45 0.00 0.00 179.45 175.95 1go0 s LEU 34 N -8.20 0.86 -0.21 5.20 2.96 -0.37 -4.00 118.68 114.92 1go0 s LEU 34 Ca -0.14 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1go0 s LEU 34 Cb 0.02 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.75 1go0 s LEU 34 CO 0.80 -0.15 -0.01 -0.63 -1.32 0.00 0.00 176.35 175.05 1go0 s ILE 35 N 1.23 3.81 -0.18 6.68 1.01 -0.57 0.31 121.20 133.49 1go0 s ILE 35 Ca -0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1go0 s ILE 35 Cb -0.12 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1go0 s ILE 35 CO -0.04 0.42 0.06 -0.63 0.00 0.00 0.00 174.94 174.75 1go0 s ILE 36 N 1.20 4.80 -0.05 2.92 1.01 -0.44 0.12 121.20 130.75 1go0 s ILE 36 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1go0 s ILE 36 Cb -0.15 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1go0 s ILE 36 CO 0.01 0.47 -0.24 0.68 0.00 0.00 0.00 174.94 175.86 1go0 s VAL 37 N 0.25 1.96 0.39 2.92 -7.23 -0.26 -1.17 120.40 117.27 1go0 s VAL 37 Ca 0.04 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 1go0 s VAL 37 Cb -0.12 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 1go0 s VAL 37 CO 0.00 0.55 1.19 0.00 -0.31 0.00 0.00 175.10 176.53 1go0 s ALA 38 N -0.16 3.21 0.05 1.32 0.00 -0.43 -0.17 121.76 125.58 1go0 s ALA 38 Ca -0.03 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 1go0 s ALA 38 Cb -0.13 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 1go0 s ALA 38 CO 0.03 -0.54 1.52 0.00 0.00 0.00 0.00 175.76 176.77 1go0 h ARG 39 N 2.77 -0.25 -1.25 0.00 3.08 -1.29 -2.82 114.38 114.61 1go0 h ARG 39 Ca -0.49 0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.44 1go0 h ARG 39 Cb 1.23 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.27 1go0 h ARG 39 CO 0.63 -0.04 0.17 -1.71 -1.07 0.00 0.00 179.97 177.95 1go0 n ASN 40 N -5.13 4.09 -4.92 7.04 5.15 -1.26 -4.86 115.26 115.36 1go0 n ASN 40 Ca -0.09 -2.50 -0.26 0.00 -0.60 0.00 0.00 54.58 51.13 1go0 n ASN 40 Cb 0.18 -0.75 0.01 0.00 -0.53 0.00 0.00 39.78 38.70 1go0 n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1go0 s ALA 41 N -0.83 3.45 0.23 5.20 0.00 -1.07 -4.51 121.76 124.23 1go0 s ALA 41 Ca 0.14 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1go0 s ALA 41 Cb 0.12 -2.48 -0.12 0.00 0.00 0.00 0.00 23.12 20.64 1go0 s ALA 41 CO 0.02 -0.53 1.67 1.03 0.00 0.00 0.00 175.76 177.95 1go0 s ARG 42 N -4.79 4.13 0.24 0.00 1.81 -1.26 -4.88 118.95 114.20 1go0 s ARG 42 Ca 0.50 2.58 -0.06 0.00 -1.72 0.00 0.00 55.73 57.03 1go0 s ARG 42 Cb -0.10 -3.06 0.29 0.00 -0.45 0.00 0.00 34.95 31.62 1go0 s ARG 42 CO 0.43 -0.71 1.88 -1.35 -0.68 0.00 0.00 175.30 174.87 1go0 h PRO 43 N 6.19 1.05 -0.62 3.54 0.11 -1.95 -1.59 132.00 138.74 1go0 h PRO 43 Ca -0.44 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1go0 h PRO 43 Cb 1.21 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1go0 h PRO 43 CO 0.90 0.70 0.41 0.38 -0.21 0.00 0.00 178.00 180.18 1go0 h ASP 44 N 1.08 0.59 0.10 -2.05 3.04 -1.99 0.26 116.42 117.45 1go0 h ASP 44 Ca 0.36 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.14 1go0 h ASP 44 Cb 0.04 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1go0 h ASP 44 CO -0.13 0.40 -0.05 0.40 -2.04 0.00 0.00 179.24 177.82 1go0 h ILE 45 N 0.68 1.02 -0.15 4.15 1.08 -1.78 -3.04 117.51 119.47 1go0 h ILE 45 Ca 0.26 -1.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1go0 h ILE 45 Cb 0.16 1.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 1go0 h ILE 45 CO -0.07 0.28 -0.02 0.11 -0.69 0.00 0.00 178.15 177.75 1go0 h LYS 46 N -0.85 0.02 -0.47 2.37 1.57 -0.94 -1.61 116.57 116.66 1go0 h LYS 46 Ca -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1go0 h LYS 46 Cb 0.57 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1go0 h LYS 46 CO 0.02 0.01 0.26 1.49 -0.57 0.00 0.00 179.45 180.66 1go0 h GLU 47 N 0.02 0.65 -0.34 3.15 4.57 -0.64 -1.80 114.58 120.20 1go0 h GLU 47 Ca 0.07 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1go0 h GLU 47 Cb 0.10 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1go0 h GLU 47 CO -0.14 0.51 -0.22 0.22 -1.18 0.00 0.00 179.01 178.20 1go0 h ASP 48 N 0.62 0.78 0.10 1.04 3.58 -1.40 -1.52 116.42 119.62 1go0 h ASP 48 Ca 0.16 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1go0 h ASP 48 Cb 0.05 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1go0 h ASP 48 CO -0.03 1.05 -0.11 0.40 -2.88 0.00 0.00 179.24 177.67 1go0 h ILE 49 N 0.52 0.76 -0.64 2.25 2.04 -1.19 -0.86 117.51 120.40 1go0 h ILE 49 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1go0 h ILE 49 Cb 0.78 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1go0 h ILE 49 CO 0.06 0.00 0.31 -0.33 0.00 0.00 0.00 178.15 178.19 1go0 h GLU 50 N -0.23 0.89 0.15 2.37 5.08 -1.32 0.19 114.58 121.71 1go0 h GLU 50 Ca 0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1go0 h GLU 50 Cb 0.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1go0 h GLU 50 CO -0.04 0.69 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.67 1go0 h TYR 51 N 0.89 -0.19 -0.32 4.33 3.20 -0.83 -0.87 116.97 123.18 1go0 h TYR 51 Ca 0.22 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 1go0 h TYR 51 Cb 0.08 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1go0 h TYR 51 CO 0.01 -0.07 -0.27 1.88 -1.64 0.00 0.00 178.16 178.07 1go0 h TYR 52 N -0.26 0.90 -0.12 -3.82 -1.99 -0.87 -3.00 116.97 107.81 1go0 h TYR 52 Ca -0.02 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.45 1go0 h TYR 52 Cb 0.20 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1go0 h TYR 52 CO -0.05 1.01 0.06 0.00 -0.00 0.00 0.00 178.16 179.18 1go0 h ALA 53 N 0.74 0.15 -0.80 3.88 0.00 -0.56 -2.59 119.26 120.09 1go0 h ALA 53 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1go0 h ALA 53 Cb 0.84 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1go0 h ALA 53 CO 0.07 -0.28 0.37 0.00 0.00 0.00 0.00 179.25 179.42 1go0 h ARG 54 N 0.06 1.16 -0.31 0.00 3.08 -1.21 0.56 114.38 117.72 1go0 h ARG 54 Ca 0.04 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1go0 h ARG 54 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1go0 h ARG 54 CO -0.00 0.90 -0.18 1.37 -1.07 0.00 0.00 179.97 180.99 1go0 h LEU 55 N 1.13 0.54 -0.18 3.04 8.10 -1.48 -2.69 115.31 123.78 1go0 h LEU 55 Ca 0.27 -0.16 -0.23 0.00 0.11 0.00 0.00 57.88 57.87 1go0 h LEU 55 Cb 0.13 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1go0 h LEU 55 CO -0.03 0.73 -0.93 0.28 -4.11 0.00 0.00 178.44 174.39 1go0 h SER 56 N 0.50 0.59 0.00 0.17 0.02 -1.07 -3.48 113.55 110.28 1go0 h SER 56 Ca 0.08 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1go0 h SER 56 Cb 0.59 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1go0 h SER 56 CO 0.04 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 177.59 1go0 n GLY 57 N 0.91 1.68 3.51 -3.77 0.00 0.83 -5.03 105.19 103.33 1go0 n GLY 57 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1go0 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1go0 s ILE 58 N -2.00 4.56 0.27 -0.61 1.01 0.16 -4.99 121.20 119.60 1go0 s ILE 58 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1go0 s ILE 58 Cb 0.00 -3.12 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 1go0 s ILE 58 CO 0.00 0.36 1.39 -2.84 0.00 0.00 0.00 174.94 173.84 1go0 s PRO 59 N 1.32 4.30 -0.16 2.79 0.02 -1.26 -3.91 135.00 138.11 1go0 s PRO 59 Ca 0.05 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 1go0 s PRO 59 Cb -0.15 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1go0 s PRO 59 CO 0.04 -0.34 -0.10 0.08 -0.33 0.00 0.00 177.00 176.36 1go0 s VAL 60 N -0.31 3.22 -0.24 3.83 1.01 -1.26 -1.51 120.40 125.13 1go0 s VAL 60 Ca 0.56 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1go0 s VAL 60 Cb -0.41 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1go0 s VAL 60 CO 0.45 0.49 0.15 -0.47 0.00 0.00 0.00 175.10 175.73 1go0 s TYR 61 N 0.70 3.26 -0.37 5.22 5.04 0.12 -4.94 117.35 126.38 1go0 s TYR 61 Ca -0.05 0.12 -0.29 0.00 -2.44 0.00 0.00 57.07 54.42 1go0 s TYR 61 Cb -0.15 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.90 1go0 s TYR 61 CO 0.02 -0.02 1.28 -2.00 -1.34 0.00 0.00 175.55 173.50 1go0 s GLU 62 N 1.21 3.79 -0.08 4.97 2.12 -1.26 -1.10 118.70 128.35 1go0 s GLU 62 Ca 0.07 1.01 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 1go0 s GLU 62 Cb -0.14 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1go0 s GLU 62 CO 0.05 -1.28 1.31 0.12 -0.54 0.00 0.00 175.26 174.93 1go0 s PHE 63 N 4.64 2.88 0.00 5.30 5.36 0.76 -4.89 117.98 132.04 1go0 s PHE 63 Ca 0.55 0.95 -0.05 0.00 -0.96 0.00 0.00 56.93 57.42 1go0 s PHE 63 Cb -0.14 -3.56 -0.22 0.00 -0.34 0.00 0.00 43.02 38.76 1go0 s PHE 63 CO 0.27 -1.96 3.14 -0.85 -1.46 0.00 0.00 175.22 174.36 1go0 n GLU 64 N 5.88 1.69 -3.51 10.12 0.28 -1.26 -2.94 120.64 130.89 1go0 n GLU 64 Ca 0.13 -0.83 -0.08 0.00 -0.16 0.00 0.00 57.16 56.22 1go0 n GLU 64 Cb 0.45 -1.90 -0.02 0.00 1.43 0.00 0.00 31.44 31.40 1go0 n GLU 64 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1go0 s GLY 65 N 2.13 -0.46 0.80 -1.84 0.00 -1.26 -5.04 107.32 101.65 1go0 s GLY 65 Ca 0.56 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 46.10 1go0 s GLY 65 CO 0.00 0.31 1.09 -0.51 0.00 0.00 0.00 173.10 173.98 1go0 s THR 66 N -3.17 3.18 0.50 0.90 -4.23 -1.26 -2.05 115.64 109.51 1go0 s THR 66 Ca 0.05 0.38 0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1go0 s THR 66 Cb -0.01 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 71.06 1go0 s THR 66 CO -0.09 -0.50 2.11 0.77 -0.54 0.00 0.00 174.62 176.37 1go0 h SER 67 N -1.14 0.00 -0.11 3.99 4.64 -1.79 -0.94 113.55 118.19 1go0 h SER 67 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1go0 h SER 67 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1go0 h SER 67 CO 0.56 0.06 0.03 0.58 -0.87 0.00 0.00 176.83 177.19 1go0 h VAL 68 N 0.00 1.20 -0.79 0.95 2.07 -1.88 0.51 116.25 118.30 1go0 h VAL 68 Ca -0.00 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1go0 h VAL 68 Cb 0.10 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1go0 h VAL 68 CO 0.01 0.18 0.34 -0.33 0.02 0.00 0.00 177.57 177.78 1go0 h GLU 69 N -0.02 1.17 -0.53 1.57 4.39 -1.71 -0.07 114.58 119.37 1go0 h GLU 69 Ca 0.04 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1go0 h GLU 69 Cb 0.25 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1go0 h GLU 69 CO 0.00 0.93 0.22 1.25 -1.16 0.00 0.00 179.01 180.25 1go0 h LEU 70 N 1.14 0.73 -0.02 1.33 5.85 -1.07 0.75 115.31 124.03 1go0 h LEU 70 Ca 0.27 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1go0 h LEU 70 Cb 0.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1go0 h LEU 70 CO -0.03 0.70 0.01 1.23 -0.34 0.00 0.00 178.44 180.01 1go0 h GLY 71 N 0.72 0.03 1.95 3.75 0.00 -0.48 -1.23 103.07 107.82 1go0 h GLY 71 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 1go0 h GLY 71 CO -0.02 0.01 -0.25 0.00 0.00 0.00 0.00 176.54 176.28 1go0 h THR 72 N -0.13 1.20 -0.26 4.70 1.03 -0.93 0.10 112.91 118.62 1go0 h THR 72 Ca 0.01 -0.94 -0.02 0.00 -0.01 0.00 0.00 66.41 65.45 1go0 h THR 72 Cb 0.16 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1go0 h THR 72 CO -0.00 0.27 0.10 0.25 -0.01 0.00 0.00 175.52 176.13 1go0 h LEU 73 N 0.05 0.37 -0.17 0.00 7.12 -0.54 -3.05 115.31 119.09 1go0 h LEU 73 Ca 0.01 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 1go0 h LEU 73 Cb 0.48 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1go0 h LEU 73 CO 0.03 0.44 -0.00 -0.07 -0.13 0.00 0.00 178.44 178.71 1go0 h LEU 74 N 0.27 0.30 0.00 2.25 3.38 -0.64 -3.48 115.31 117.40 1go0 h LEU 74 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1go0 h LEU 74 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1go0 h LEU 74 CO -0.01 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1go0 n GLY 75 N -0.28 2.02 3.75 0.83 0.00 0.30 -5.06 105.19 106.75 1go0 n GLY 75 Ca -0.05 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1go0 n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1go0 s ARG 76 N 0.00 4.43 0.00 1.61 1.70 -1.19 -4.76 118.95 120.74 1go0 s ARG 76 Ca 0.00 2.06 -0.04 0.00 -0.47 0.00 0.00 55.73 57.28 1go0 s ARG 76 Cb 0.00 -3.15 -0.18 0.00 -0.57 0.00 0.00 34.95 31.05 1go0 s ARG 76 CO 0.00 -0.14 2.79 -0.35 -1.08 0.00 0.00 175.30 176.51 1go0 n PRO 77 N 1.76 1.48 -4.09 3.89 -0.04 -1.26 -3.59 135.00 133.14 1go0 n PRO 77 Ca 0.03 -0.65 -0.14 0.00 -0.04 0.00 0.00 63.50 62.69 1go0 n PRO 77 Cb 0.43 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 1go0 n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1go0 s HIS 78 N 1.15 0.43 0.01 0.54 3.76 -1.26 -5.03 115.29 114.89 1go0 s HIS 78 Ca 0.44 -0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 1go0 s HIS 78 Cb 0.21 -0.27 -0.08 0.00 1.11 0.00 0.00 32.58 33.55 1go0 s HIS 78 CO 0.00 -0.03 1.79 0.95 -0.85 0.00 0.00 174.74 176.60 1go0 s THR 79 N -0.45 3.20 -0.28 1.30 -4.23 -1.26 -4.18 115.64 109.74 1go0 s THR 79 Ca -0.02 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1go0 s THR 79 Cb -0.04 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1go0 s THR 79 CO -0.00 -0.02 0.16 -0.69 -0.54 0.00 0.00 174.62 173.52 1go0 s VAL 80 N 3.88 5.02 0.11 2.29 1.01 -0.49 -4.92 120.40 127.31 1go0 s VAL 80 Ca 0.80 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 1go0 s VAL 80 Cb -0.39 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 1go0 s VAL 80 CO 0.35 0.25 1.35 0.28 0.00 0.00 0.00 175.10 177.33 1go0 h SER 81 N 8.34 0.95 -4.76 3.32 0.02 -1.93 -3.40 113.55 116.09 1go0 h SER 81 Ca -0.36 -0.58 0.03 0.00 -0.84 0.00 0.00 61.79 60.04 1go0 h SER 81 Cb 1.18 -0.28 -0.16 0.00 0.14 0.00 0.00 62.40 63.29 1go0 h SER 81 CO 0.56 1.37 0.35 0.00 -1.14 0.00 0.00 176.83 177.98 1go0 s ALA 82 N -3.93 -1.75 -0.00 3.77 0.00 -1.26 -1.31 121.76 117.28 1go0 s ALA 82 Ca -0.11 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1go0 s ALA 82 Cb 0.09 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1go0 s ALA 82 CO 0.90 -0.61 -0.01 -0.48 0.00 0.00 0.00 175.76 175.56 1go0 s LEU 83 N -2.16 1.94 -0.33 0.00 2.34 -0.31 -0.61 118.68 119.55 1go0 s LEU 83 Ca -0.00 -0.01 -0.16 0.00 0.06 0.00 0.00 54.13 54.02 1go0 s LEU 83 Cb -0.01 -0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.56 1go0 s LEU 83 CO -0.06 0.00 0.40 0.00 -1.06 0.00 0.00 176.35 175.64 1go0 s ALA 84 N 0.05 3.51 -0.68 1.48 0.00 0.14 -1.33 121.76 124.93 1go0 s ALA 84 Ca -0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1go0 s ALA 84 Cb -0.01 -2.84 0.06 0.00 0.00 0.00 0.00 23.12 20.33 1go0 s ALA 84 CO -0.00 -1.01 1.03 0.08 0.00 0.00 0.00 175.76 175.86 1go0 s VAL 85 N 2.12 4.20 0.05 0.00 1.01 0.15 -0.97 120.40 126.96 1go0 s VAL 85 Ca 0.14 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1go0 s VAL 85 Cb -0.16 -4.73 -0.21 0.00 0.00 0.00 0.00 36.38 31.28 1go0 s VAL 85 CO 0.12 -1.54 1.19 0.58 0.00 0.00 0.00 175.10 175.45 1go0 h VAL 86 N 5.99 1.34 -2.69 2.92 2.07 -1.28 0.77 116.25 125.38 1go0 h VAL 86 Ca -0.28 -2.04 -0.17 0.00 0.82 0.00 0.00 66.70 65.02 1go0 h VAL 86 Cb 1.07 2.33 -0.31 0.00 -1.52 0.00 0.00 31.29 32.86 1go0 h VAL 86 CO 1.20 0.62 -0.48 -0.62 0.02 0.00 0.00 177.57 178.32 1go0 s ASP 87 N -6.94 0.17 0.17 0.57 2.15 -1.03 -3.68 116.67 108.08 1go0 s ASP 87 Ca -0.12 0.69 -0.07 0.00 0.43 0.00 0.00 52.55 53.49 1go0 s ASP 87 Cb 0.06 0.93 0.05 0.00 -0.30 0.00 0.00 42.92 43.66 1go0 s ASP 87 CO 0.87 -0.24 1.49 1.55 -0.17 0.00 0.00 175.17 178.67 1go0 h PRO 88 N 8.24 0.73 0.00 4.34 0.13 -1.85 0.19 132.00 143.78 1go0 h PRO 88 Ca -0.15 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1go0 h PRO 88 Cb 1.11 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1go0 h PRO 88 CO 0.14 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1go0 n GLY 89 N 0.19 2.44 0.20 1.56 0.00 -1.26 -2.25 105.19 106.08 1go0 n GLY 89 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1go0 n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1go0 h GLU 90 N 0.00 0.32 -6.81 1.61 4.57 -1.93 -3.45 114.58 108.90 1go0 h GLU 90 Ca 0.00 -0.16 -0.52 0.00 -1.18 0.00 0.00 59.36 57.50 1go0 h GLU 90 Cb 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1go0 h GLU 90 CO 0.00 0.70 0.60 -1.12 -1.18 0.00 0.00 179.01 178.01 1go0 s SER 91 N -6.87 6.94 -0.84 1.04 0.01 -0.95 -4.94 113.70 108.08 1go0 s SER 91 Ca -0.05 2.50 -0.02 0.00 1.31 0.00 0.00 55.95 59.69 1go0 s SER 91 Cb 0.13 -2.63 0.35 0.00 0.21 0.00 0.00 66.02 64.08 1go0 s SER 91 CO 0.79 -0.43 2.01 -1.14 0.41 0.00 0.00 173.24 174.88 1go0 n ARG 92 N 1.38 2.76 0.20 12.44 0.63 -1.26 -4.64 116.66 128.17 1go0 n ARG 92 Ca 0.01 -3.53 0.08 0.00 -0.92 0.00 0.00 57.85 53.49 1go0 n ARG 92 Cb 0.43 -2.27 0.37 0.00 0.45 0.00 0.00 32.46 31.44 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1go0 h ILE 93 N 1.98 0.67 0.00 5.15 6.09 -1.93 -2.89 117.51 126.58 1go0 h ILE 93 Ca 0.57 -1.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1go0 h ILE 93 Cb 0.06 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.24 1go0 h ILE 93 CO 1.43 0.29 0.00 -0.07 -3.07 0.00 0.00 178.15 176.73 1go0 h LEU 94 N 0.00 0.00 -1.42 2.19 3.38 -1.82 0.01 115.31 117.65 1go0 h LEU 94 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1go0 h LEU 94 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1go0 h LEU 94 CO 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.28 1go0 h ALA 95 N 2.03 1.51 0.00 1.53 0.00 -1.90 -2.45 119.26 119.98 1go0 h ALA 95 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1go0 h ALA 95 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1go0 h ALA 95 CO 0.00 0.37 -0.87 -0.07 0.00 0.00 0.00 179.25 178.67 1go0 h LEU 96 N 0.00 0.00 -7.02 0.00 -0.00 -1.18 -3.45 115.31 103.66 1go0 h LEU 96 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1go0 h LEU 96 Cb 0.52 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 40.96 1go0 h LEU 96 CO 0.04 0.87 -0.14 -0.83 -0.00 0.00 0.00 178.44 178.38 1go0 s GLY 97 N -4.63 -0.66 0.00 0.83 0.00 -0.93 -4.94 107.32 96.99 1go0 s GLY 97 Ca 0.01 2.23 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1go0 s GLY 97 CO 0.80 2.85 0.00 0.61 0.00 0.00 0.00 173.10 177.36 1go0 n GLY 98 N 5.24 0.78 3.70 0.20 0.00 -1.21 -4.44 105.19 109.46 1go0 n GLY 98 Ca -0.13 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1go0 n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1go0 s LYS 99 N 0.00 4.41 0.00 1.61 2.20 -1.26 -5.03 119.74 121.67 1go0 s LYS 99 Ca 0.00 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1go0 s LYS 99 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1go0 s LYS 99 CO 0.00 -0.32 0.14 0.39 -0.36 0.00 0.00 175.35 175.20