#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 -5.66 0.00 1.61 7.64 -1.26 -4.74 113.62 111.20 1go0 n SER -1 Ca 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1go0 n SER -1 Cb 0.00 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1go0 n SER -1 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1go0 n VAL 1 N -4.61 0.00 -3.63 0.44 0.24 -1.26 -4.87 118.33 104.64 1go0 n VAL 1 Ca -0.04 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.25 1go0 n VAL 1 Cb 0.58 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 1go0 n VAL 1 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1go0 s ASP 2 N -4.00 -0.42 0.00 -1.34 2.15 -1.26 -5.06 116.67 106.74 1go0 s ASP 2 Ca 0.00 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1go0 s ASP 2 Cb 0.00 1.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 1go0 s ASP 2 CO 0.00 -0.10 0.56 2.22 -0.17 0.00 0.00 175.17 177.67 1go0 n PHE 3 N 3.65 0.00 0.02 -5.34 1.16 -1.26 -4.95 117.46 110.74 1go0 n PHE 3 Ca -0.18 -0.23 -0.12 0.00 -1.87 0.00 0.00 57.45 55.05 1go0 n PHE 3 Cb 0.57 0.35 -0.08 0.00 -1.61 0.00 0.00 39.48 38.71 1go0 n PHE 3 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1go0 h ALA 4 N 0.00 -0.01 0.00 1.98 0.00 -1.97 0.25 119.26 119.51 1go0 h ALA 4 Ca -0.26 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1go0 h ALA 4 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1go0 h ALA 4 CO -0.13 -0.40 -0.43 0.27 0.00 0.00 0.00 179.25 178.56 1go0 h PHE 5 N -0.21 0.00 -0.45 0.00 -5.15 -1.94 -1.80 116.94 107.39 1go0 h PHE 5 Ca -0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 1go0 h PHE 5 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.36 1go0 h PHE 5 CO -0.01 0.43 0.02 0.93 -2.00 0.00 0.00 178.31 177.68 1go0 h GLU 6 N 0.00 0.78 -0.17 6.09 4.39 -1.84 0.19 114.58 124.02 1go0 h GLU 6 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1go0 h GLU 6 Cb 0.86 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1go0 h GLU 6 CO 0.06 0.83 0.07 -0.07 -1.16 0.00 0.00 179.01 178.74 1go0 h LEU 7 N 0.63 0.23 -1.04 1.33 3.38 -0.11 0.10 115.31 119.83 1go0 h LEU 7 Ca 0.13 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1go0 h LEU 7 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1go0 h LEU 7 CO 0.02 0.31 -0.28 0.08 0.09 0.00 0.00 178.44 178.66 1go0 h ARG 8 N 0.13 0.35 -0.16 1.13 -0.00 -1.18 -1.10 114.38 113.55 1go0 h ARG 8 Ca 0.06 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.98 59.88 1go0 h ARG 8 Cb 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.09 1go0 h ARG 8 CO -0.01 0.60 -0.01 -0.22 -0.00 0.00 0.00 179.97 180.33 1go0 h LYS 9 N 0.31 0.29 -0.97 0.08 3.64 -0.33 -0.79 116.57 118.79 1go0 h LYS 9 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1go0 h LYS 9 Cb 0.65 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1go0 h LYS 9 CO 0.05 0.53 0.61 0.00 -2.27 0.00 0.00 179.45 178.36 1go0 h ALA 10 N 0.74 1.23 -0.61 5.00 0.00 -0.59 0.10 119.26 125.14 1go0 h ALA 10 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1go0 h ALA 10 Cb 0.41 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1go0 h ALA 10 CO 0.01 0.66 0.16 0.37 0.00 0.00 0.00 179.25 180.45 1go0 h GLN 11 N 1.33 0.98 0.00 0.00 4.15 -1.05 0.24 115.11 120.76 1go0 h GLN 11 Ca 0.35 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1go0 h GLN 11 Cb -0.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.47 1go0 h GLN 11 CO -0.07 0.89 -0.00 0.22 -1.93 0.00 0.00 178.83 177.94 1go0 h ASP 12 N 0.89 -0.00 0.35 -0.69 3.58 -0.50 -3.40 116.42 116.65 1go0 h ASP 12 Ca 0.19 -0.92 -0.32 0.00 0.42 0.00 0.00 57.03 56.41 1go0 h ASP 12 Cb 0.34 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1go0 h ASP 12 CO 0.00 0.92 -1.83 1.07 -2.88 0.00 0.00 179.24 176.53 1go0 n THR 13 N -4.65 1.68 0.00 2.25 5.66 0.30 -4.96 114.28 114.56 1go0 n THR 13 Ca -0.10 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1go0 n THR 13 Cb 0.44 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 1go0 n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1go0 n GLY 14 N 1.73 1.46 2.88 1.09 0.00 0.07 -4.82 105.19 107.60 1go0 n GLY 14 Ca -0.23 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 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 3.78 0.18 -0.13 1.61 1.02 0.12 -4.85 119.74 121.47 1go0 s LYS 15 Ca 0.00 0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.49 1go0 s LYS 15 Cb 0.00 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1go0 s LYS 15 CO 0.00 -0.48 -0.16 0.42 -0.92 0.00 0.00 175.35 174.21 1go0 s ILE 16 N 2.39 1.62 -0.41 2.17 -1.09 -1.26 -1.84 121.20 122.77 1go0 s ILE 16 Ca 0.05 -0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 57.62 1go0 s ILE 16 Cb -0.14 -1.49 0.02 0.00 -1.58 0.00 0.00 42.46 39.27 1go0 s ILE 16 CO -0.11 0.47 0.34 -0.69 -1.23 0.00 0.00 174.94 173.72 1go0 s VAL 17 N 1.18 5.20 -0.00 2.92 1.01 -0.24 -4.94 120.40 125.54 1go0 s VAL 17 Ca -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1go0 s VAL 17 Cb -0.14 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1go0 s VAL 17 CO -0.06 -0.34 0.46 0.00 0.00 0.00 0.00 175.10 175.16 1go0 s MET 18 N 1.83 4.05 0.00 2.72 0.23 -1.26 -0.04 119.30 126.83 1go0 s MET 18 Ca 0.07 0.49 0.00 0.00 -1.03 0.00 0.00 55.69 55.23 1go0 s MET 18 Cb -0.18 -3.26 0.00 0.00 -1.53 0.00 0.00 34.83 29.86 1go0 s MET 18 CO 0.11 0.60 0.00 0.41 -2.03 0.00 0.00 175.02 174.11 1go0 n GLY 19 N 2.02 3.92 0.06 3.16 0.00 0.15 -4.84 105.19 109.66 1go0 n GLY 19 Ca -0.12 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1go0 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1go0 h ALA 20 N 0.00 0.04 -0.34 4.61 0.00 -1.93 0.25 119.26 121.89 1go0 h ALA 20 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1go0 h ALA 20 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1go0 h ALA 20 CO 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 179.25 178.66 1go0 h ARG 21 N -0.27 0.72 -0.61 0.00 3.08 -1.95 -2.19 114.38 113.16 1go0 h ARG 21 Ca 0.01 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1go0 h ARG 21 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1go0 h ARG 21 CO 0.00 0.93 0.30 0.87 -1.07 0.00 0.00 179.97 181.01 1go0 h LYS 22 N 0.61 0.86 -0.73 0.04 1.79 -1.86 -1.56 116.57 115.73 1go0 h LYS 22 Ca 0.07 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1go0 h LYS 22 Cb 0.82 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 1go0 h LYS 22 CO 0.07 0.69 0.23 1.03 -1.08 0.00 0.00 179.45 180.38 1go0 h SER 23 N 0.83 1.05 -0.52 0.86 0.87 -0.31 -1.24 113.55 115.08 1go0 h SER 23 Ca 0.21 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1go0 h SER 23 Cb 0.10 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1go0 h SER 23 CO -0.03 0.97 0.35 0.40 -0.53 0.00 0.00 176.83 177.99 1go0 h ILE 24 N 1.08 1.14 -0.32 2.23 2.04 -1.00 0.14 117.51 122.81 1go0 h ILE 24 Ca 0.24 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1go0 h ILE 24 Cb 0.30 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1go0 h ILE 24 CO -0.01 0.13 0.15 -0.61 0.00 0.00 0.00 178.15 177.81 1go0 h GLN 25 N 0.71 0.46 -0.67 2.37 5.75 -0.89 0.13 115.11 122.98 1go0 h GLN 25 Ca 0.19 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1go0 h GLN 25 Cb -0.08 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1go0 h GLN 25 CO -0.04 0.44 0.14 1.88 -2.65 0.00 0.00 178.83 178.60 1go0 h TYR 26 N 0.38 1.15 -0.51 3.99 -1.99 -0.97 -1.50 116.97 117.51 1go0 h TYR 26 Ca 0.11 -0.15 -0.09 0.00 2.00 0.00 0.00 58.73 60.60 1go0 h TYR 26 Cb 0.13 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 1go0 h TYR 26 CO -0.01 0.95 -0.02 0.00 -0.00 0.00 0.00 178.16 179.08 1go0 h ALA 27 N 1.06 0.69 -0.04 3.88 0.00 -0.51 0.23 119.26 124.57 1go0 h ALA 27 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1go0 h ALA 27 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1go0 h ALA 27 CO 0.01 0.53 0.03 -0.22 0.00 0.00 0.00 179.25 179.59 1go0 h LYS 28 N 0.79 0.06 -0.22 0.00 3.64 -0.51 -3.03 116.57 117.29 1go0 h LYS 28 Ca 0.14 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 1go0 h LYS 28 Cb 0.55 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1go0 h LYS 28 CO 0.03 0.05 -0.63 1.98 -2.27 0.00 0.00 179.45 178.61 1go0 h MET 29 N 0.04 0.78 -1.01 1.90 4.05 -1.23 -3.48 114.93 115.99 1go0 h MET 29 Ca 0.02 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1go0 h MET 29 Cb 0.01 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1go0 h MET 29 CO -0.00 1.17 0.00 0.41 0.23 0.00 0.00 176.91 178.72 1go0 n GLY 30 N 0.47 0.86 2.28 1.39 0.00 0.72 -5.03 105.19 105.88 1go0 n GLY 30 Ca -0.05 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.49 3.16 3.62 -0.02 0.00 -0.71 -5.05 105.19 105.70 1go0 n GLY 31 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.30 -1.77 -0.00 4.61 0.00 -1.26 -4.87 121.76 116.16 1go0 s ALA 32 Ca 0.37 2.08 -0.23 0.00 0.00 0.00 0.00 51.96 54.19 1go0 s ALA 32 Cb 0.36 -1.22 -0.18 0.00 0.00 0.00 0.00 23.12 22.08 1go0 s ALA 32 CO -0.06 -0.34 1.23 -0.22 0.00 0.00 0.00 175.76 176.36 1go0 h LYS 33 N 5.48 0.23 -3.64 0.00 1.63 -1.28 -3.46 116.57 115.53 1go0 h LYS 33 Ca -0.29 -0.15 -0.19 0.00 -0.85 0.00 0.00 60.65 59.17 1go0 h LYS 33 Cb 1.18 0.02 -0.25 0.00 -0.60 0.00 0.00 32.23 32.58 1go0 h LYS 33 CO 0.08 0.75 -0.62 -1.17 -3.45 0.00 0.00 179.45 175.04 1go0 s LEU 34 N -8.94 1.81 -0.09 5.20 2.96 -0.58 -4.46 118.68 114.57 1go0 s LEU 34 Ca -0.15 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1go0 s LEU 34 Cb 0.03 0.30 0.00 0.00 0.50 0.00 0.00 46.19 47.02 1go0 s LEU 34 CO 0.73 -0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.77 1go0 s ILE 35 N -0.58 1.82 -0.15 6.68 1.01 -0.41 0.51 121.20 130.09 1go0 s ILE 35 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1go0 s ILE 35 Cb -0.04 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 1go0 s ILE 35 CO 0.00 0.51 -0.17 -0.63 0.00 0.00 0.00 174.94 174.64 1go0 s ILE 36 N 0.47 2.51 -0.02 2.92 1.01 -0.57 -0.22 121.20 127.31 1go0 s ILE 36 Ca -0.17 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1go0 s ILE 36 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1go0 s ILE 36 CO 0.07 0.53 -0.13 0.68 0.00 0.00 0.00 174.94 176.08 1go0 s VAL 37 N 0.74 1.06 0.12 2.92 -7.23 -0.08 -0.66 120.40 117.27 1go0 s VAL 37 Ca -0.07 -0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 59.23 1go0 s VAL 37 Cb -0.16 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 1go0 s VAL 37 CO 0.01 0.30 1.56 0.00 -0.31 0.00 0.00 175.10 176.66 1go0 s ALA 38 N -0.21 3.71 0.40 1.32 0.00 0.79 0.21 121.76 127.98 1go0 s ALA 38 Ca 0.03 1.25 0.17 0.00 0.00 0.00 0.00 51.96 53.41 1go0 s ALA 38 Cb -0.06 -3.63 0.99 0.00 0.00 0.00 0.00 23.12 20.41 1go0 s ALA 38 CO -0.00 -0.87 1.94 0.07 0.00 0.00 0.00 175.76 176.90 1go0 h ARG 39 N 7.36 0.00 -0.72 0.00 0.11 -1.70 -1.42 114.38 118.01 1go0 h ARG 39 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1go0 h ARG 39 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1go0 h ARG 39 CO 0.91 0.24 0.00 -1.71 0.10 0.00 0.00 179.97 179.51 1go0 n ASN 40 N -4.07 3.43 -4.84 0.08 4.05 -1.24 -4.92 115.26 107.75 1go0 n ASN 40 Ca -0.02 -2.45 -0.30 0.00 0.45 0.00 0.00 54.58 52.27 1go0 n ASN 40 Cb 0.31 -0.56 0.09 0.00 1.23 0.00 0.00 39.78 40.84 1go0 n ASN 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1go0 s ALA 41 N -1.91 2.43 0.21 5.20 0.00 -0.54 -4.81 121.76 122.36 1go0 s ALA 41 Ca 0.30 -0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.54 1go0 s ALA 41 Cb 0.22 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 1go0 s ALA 41 CO 0.10 -1.65 1.55 0.54 0.00 0.00 0.00 175.76 176.30 1go0 n ARG 42 N -3.35 2.28 -0.30 0.00 5.12 -1.26 -4.85 116.66 114.30 1go0 n ARG 42 Ca 0.07 0.82 0.07 0.00 -1.93 0.00 0.00 57.85 56.88 1go0 n ARG 42 Cb 0.58 -2.56 0.29 0.00 -1.16 0.00 0.00 32.46 29.61 1go0 n ARG 42 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1go0 h PRO 43 N 5.34 0.87 -0.61 5.56 0.13 -1.95 -1.66 132.00 139.68 1go0 h PRO 43 Ca -0.45 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1go0 h PRO 43 Cb 1.25 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1go0 h PRO 43 CO 0.84 0.58 0.30 0.22 -0.23 0.00 0.00 178.00 179.71 1go0 h ASP 44 N 0.90 0.40 0.02 1.44 3.58 -1.99 0.21 116.42 120.97 1go0 h ASP 44 Ca 0.43 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.93 1go0 h ASP 44 Cb 0.44 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1go0 h ASP 44 CO -0.19 0.26 -0.01 0.40 -2.88 0.00 0.00 179.24 176.82 1go0 h ILE 45 N 0.55 1.20 -0.86 2.25 1.08 -1.70 -2.99 117.51 117.05 1go0 h ILE 45 Ca 0.28 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1go0 h ILE 45 Cb 0.24 1.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1go0 h ILE 45 CO -0.22 0.17 0.48 0.11 -0.69 0.00 0.00 178.15 178.01 1go0 h LYS 46 N -0.32 1.19 -0.64 2.37 1.57 -1.00 -1.79 116.57 117.95 1go0 h LYS 46 Ca -0.00 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1go0 h LYS 46 Cb 0.31 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1go0 h LYS 46 CO 0.00 0.87 0.42 1.49 -0.57 0.00 0.00 179.45 181.67 1go0 h GLU 47 N 1.20 0.84 0.12 3.15 4.22 -0.58 -1.66 114.58 121.87 1go0 h GLU 47 Ca 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 1go0 h GLU 47 Cb 0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1go0 h GLU 47 CO -0.05 0.55 -0.06 -0.44 -2.18 0.00 0.00 179.01 176.84 1go0 h ASP 48 N 0.86 -0.13 0.42 1.04 5.19 -1.36 -3.12 116.42 119.32 1go0 h ASP 48 Ca 0.24 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1go0 h ASP 48 Cb -0.09 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1go0 h ASP 48 CO -0.06 0.36 -0.36 0.40 -3.12 0.00 0.00 179.24 176.46 1go0 h ILE 49 N -0.66 0.27 -0.95 0.35 2.04 -1.24 -0.76 117.51 116.56 1go0 h ILE 49 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1go0 h ILE 49 Cb 0.51 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1go0 h ILE 49 CO 0.03 0.00 0.60 -0.33 0.00 0.00 0.00 178.15 178.45 1go0 h GLU 50 N -0.78 1.26 0.09 2.37 5.08 -1.45 0.13 114.58 121.28 1go0 h GLU 50 Ca -0.04 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1go0 h GLU 50 Cb 0.68 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1go0 h GLU 50 CO -0.02 0.86 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.88 1go0 h TYR 51 N 1.29 -0.11 -0.27 4.33 3.20 -1.46 -0.98 116.97 122.98 1go0 h TYR 51 Ca 0.34 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1go0 h TYR 51 Cb -0.11 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1go0 h TYR 51 CO 0.00 0.24 0.09 1.88 -1.64 0.00 0.00 178.16 178.74 1go0 h TYR 52 N -0.48 0.42 -0.78 -3.82 0.05 -0.97 -2.41 116.97 108.98 1go0 h TYR 52 Ca -0.01 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1go0 h TYR 52 Cb 0.41 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1go0 h TYR 52 CO 0.04 0.45 0.33 0.00 -1.05 0.00 0.00 178.16 177.94 1go0 h ALA 53 N 0.92 1.02 -0.71 3.88 0.00 -0.79 -0.09 119.26 123.48 1go0 h ALA 53 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1go0 h ALA 53 Cb 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1go0 h ALA 53 CO -0.00 0.62 0.45 -0.09 0.00 0.00 0.00 179.25 180.23 1go0 h ARG 54 N 1.13 0.95 -0.22 0.00 9.65 -1.01 0.52 114.38 125.41 1go0 h ARG 54 Ca 0.26 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 1go0 h ARG 54 Cb 0.19 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1go0 h ARG 54 CO -0.03 0.65 -0.01 -0.07 2.80 0.00 0.00 179.97 183.31 1go0 h LEU 55 N 0.97 0.38 -1.72 3.80 3.38 -1.08 -2.84 115.31 118.20 1go0 h LEU 55 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1go0 h LEU 55 Cb -0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1go0 h LEU 55 CO -0.05 0.61 -0.04 0.28 0.09 0.00 0.00 178.44 179.33 1go0 h SER 56 N 0.14 0.00 -0.41 -0.43 0.02 -0.65 -3.46 113.55 108.76 1go0 h SER 56 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1go0 h SER 56 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1go0 h SER 56 CO 0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1go0 n GLY 57 N -0.22 1.01 3.34 -3.77 0.00 0.11 -4.98 105.19 100.68 1go0 n GLY 57 Ca -0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.41 3.23 0.09 -0.61 1.01 0.14 -5.01 121.20 117.63 1go0 s ILE 58 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 1go0 s ILE 58 Cb 0.00 -2.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 1go0 s ILE 58 CO 0.00 0.47 1.30 -2.84 0.00 0.00 0.00 174.94 173.88 1go0 s PRO 59 N 0.96 4.37 -0.16 2.79 0.02 -1.26 -4.10 135.00 137.62 1go0 s PRO 59 Ca -0.01 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1go0 s PRO 59 Cb -0.15 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.05 1go0 s PRO 59 CO -0.00 -0.36 -0.08 0.08 -0.33 0.00 0.00 177.00 176.31 1go0 s VAL 60 N 1.13 3.40 -0.16 3.83 1.01 -1.26 -1.29 120.40 127.07 1go0 s VAL 60 Ca 0.62 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1go0 s VAL 60 Cb -0.33 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1go0 s VAL 60 CO 0.30 0.49 0.02 -0.47 0.00 0.00 0.00 175.10 175.43 1go0 s TYR 61 N 0.68 3.17 -0.14 5.22 5.04 0.70 -4.99 117.35 127.02 1go0 s TYR 61 Ca -0.04 -0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.28 1go0 s TYR 61 Cb -0.15 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 1go0 s TYR 61 CO 0.02 0.13 0.89 -1.21 -1.34 0.00 0.00 175.55 174.04 1go0 s GLU 62 N 0.22 4.35 0.29 4.97 8.01 -1.26 -0.90 118.70 134.38 1go0 s GLU 62 Ca 0.01 1.14 -0.29 0.00 0.01 0.00 0.00 54.97 55.85 1go0 s GLU 62 Cb -0.13 -3.56 -0.10 0.00 -4.31 0.00 0.00 34.13 26.04 1go0 s GLU 62 CO 0.01 -0.30 1.32 0.12 0.01 0.00 0.00 175.26 176.42 1go0 s PHE 63 N 2.03 3.12 0.00 1.61 5.36 0.13 -4.79 117.98 125.44 1go0 s PHE 63 Ca 0.42 1.33 -0.04 0.00 -0.96 0.00 0.00 56.93 57.68 1go0 s PHE 63 Cb -0.17 -3.66 -0.18 0.00 -0.34 0.00 0.00 43.02 38.66 1go0 s PHE 63 CO 0.15 -1.91 2.77 0.39 -1.46 0.00 0.00 175.22 175.15 1go0 n GLU 64 N 1.43 1.46 0.00 10.12 -0.58 -1.26 -3.43 120.64 128.38 1go0 n GLU 64 Ca 0.02 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.08 1go0 n GLU 64 Cb 0.42 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1go0 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1go0 n GLY 65 N 2.47 -0.85 3.81 0.62 0.00 -1.26 -5.01 105.19 104.97 1go0 n GLY 65 Ca 0.29 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1go0 n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1go0 s THR 66 N -4.00 1.78 0.22 2.61 -4.23 -1.26 -3.72 115.64 107.04 1go0 s THR 66 Ca 0.00 -1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1go0 s THR 66 Cb 0.00 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.52 1go0 s THR 66 CO 0.00 0.00 1.77 0.28 -0.54 0.00 0.00 174.62 176.13 1go0 h SER 67 N 1.15 1.04 -0.24 3.99 0.02 -1.87 0.61 113.55 118.25 1go0 h SER 67 Ca -0.41 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1go0 h SER 67 Cb 1.29 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1go0 h SER 67 CO 0.66 0.95 0.13 0.58 -1.14 0.00 0.00 176.83 178.02 1go0 h VAL 68 N 1.08 1.11 -0.51 2.27 2.07 -1.84 0.34 116.25 120.78 1go0 h VAL 68 Ca 0.24 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1go0 h VAL 68 Cb 0.27 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1go0 h VAL 68 CO -0.01 0.11 0.25 -0.08 0.02 0.00 0.00 177.57 177.86 1go0 h GLU 69 N 0.28 0.73 -0.22 1.57 4.81 -1.86 -1.61 114.58 118.28 1go0 h GLU 69 Ca 0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1go0 h GLU 69 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1go0 h GLU 69 CO -0.01 0.60 0.14 1.25 -0.73 0.00 0.00 179.01 180.25 1go0 h LEU 70 N 0.67 0.26 0.31 1.64 5.85 -0.61 0.45 115.31 123.87 1go0 h LEU 70 Ca 0.17 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1go0 h LEU 70 Cb 0.11 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1go0 h LEU 70 CO -0.02 0.21 -0.15 1.23 -0.34 0.00 0.00 178.44 179.36 1go0 h GLY 71 N 0.28 -0.44 1.66 3.75 0.00 -0.72 0.35 103.07 107.95 1go0 h GLY 71 Ca 0.08 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1go0 h GLY 71 CO -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 176.54 176.26 1go0 h THR 72 N -0.42 1.21 -0.24 4.70 1.03 -1.24 -1.90 112.91 116.04 1go0 h THR 72 Ca -0.04 -0.90 -0.12 0.00 -0.01 0.00 0.00 66.41 65.34 1go0 h THR 72 Cb 0.33 1.13 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1go0 h THR 72 CO 0.06 0.29 -0.31 0.25 -0.01 0.00 0.00 175.52 175.80 1go0 h LEU 73 N 0.39 0.69 -0.03 0.00 5.85 -0.66 -3.27 115.31 118.28 1go0 h LEU 73 Ca 0.08 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1go0 h LEU 73 Cb 0.43 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1go0 h LEU 73 CO 0.02 1.05 -0.02 0.25 -0.34 0.00 0.00 178.44 179.40 1go0 h LEU 74 N 0.34 -0.07 0.00 2.25 5.85 0.07 -3.41 115.31 120.34 1go0 h LEU 74 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1go0 h LEU 74 Cb 0.89 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1go0 h LEU 74 CO 0.07 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1go0 n GLY 75 N -1.13 3.05 3.70 3.75 0.00 -0.75 -2.83 105.19 110.99 1go0 n GLY 75 Ca -0.06 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1go0 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1go0 s ARG 76 N 0.00 4.43 0.00 1.61 6.06 -1.23 -4.90 118.95 124.93 1go0 s ARG 76 Ca 0.00 1.63 -0.01 0.00 -2.50 0.00 0.00 55.73 54.85 1go0 s ARG 76 Cb 0.00 -3.46 -0.02 0.00 0.06 0.00 0.00 34.95 31.53 1go0 s ARG 76 CO 0.00 -0.28 1.50 -0.35 -2.50 0.00 0.00 175.30 173.68 1go0 n PRO 77 N 4.42 0.76 -4.10 5.12 -0.04 -1.26 -3.99 135.00 135.90 1go0 n PRO 77 Ca 0.09 -0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1go0 n PRO 77 Cb 0.48 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.80 3.29 -1.41 0.54 3.76 -1.26 -4.96 115.29 116.05 1go0 s HIS 78 Ca 0.06 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.06 1go0 s HIS 78 Cb 0.03 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1go0 s HIS 78 CO 0.00 0.55 2.50 0.25 -0.85 0.00 0.00 174.74 177.19 1go0 n THR 79 N 1.20 3.55 -2.22 1.30 -2.24 -1.26 -3.95 114.28 110.66 1go0 n THR 79 Ca -0.13 -2.52 -0.42 0.00 -2.27 0.00 0.00 64.05 58.71 1go0 n THR 79 Cb 0.53 -2.53 -0.03 0.00 -2.10 0.00 0.00 70.33 66.20 1go0 n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1go0 s VAL 80 N 2.96 3.62 -0.04 2.28 0.11 -1.20 -4.69 120.40 123.44 1go0 s VAL 80 Ca 0.57 1.07 0.13 0.00 -2.93 0.00 0.00 61.98 60.81 1go0 s VAL 80 Cb 0.15 -3.68 -0.18 0.00 -1.53 0.00 0.00 36.38 31.14 1go0 s VAL 80 CO -0.05 0.02 0.89 0.28 -3.33 0.00 0.00 175.10 172.91 1go0 h SER 81 N 7.55 0.00 -4.35 3.54 0.02 -1.92 -3.38 113.55 115.02 1go0 h SER 81 Ca -0.39 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 1go0 h SER 81 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 1go0 h SER 81 CO 0.89 0.86 -0.01 0.00 -1.14 0.00 0.00 176.83 177.44 1go0 s ALA 82 N -2.72 -1.44 -0.03 3.77 0.00 -1.26 -0.15 121.76 119.92 1go0 s ALA 82 Ca -0.02 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 1go0 s ALA 82 Cb 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1go0 s ALA 82 CO 0.81 -0.30 0.08 -0.48 0.00 0.00 0.00 175.76 175.87 1go0 s LEU 83 N -0.28 1.23 -0.29 0.00 0.05 0.17 -0.67 118.68 118.89 1go0 s LEU 83 Ca -0.05 0.15 -0.16 0.00 0.05 0.00 0.00 54.13 54.12 1go0 s LEU 83 Cb -0.03 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.25 1go0 s LEU 83 CO 0.04 -0.09 0.42 0.00 -0.55 0.00 0.00 176.35 176.17 1go0 s ALA 84 N 0.71 3.55 -0.75 1.48 0.00 0.94 -1.51 121.76 126.17 1go0 s ALA 84 Ca -0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 1go0 s ALA 84 Cb -0.08 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.30 1go0 s ALA 84 CO -0.03 -0.81 1.10 0.08 0.00 0.00 0.00 175.76 176.10 1go0 s VAL 85 N 2.17 4.21 -0.01 0.00 1.01 0.18 -1.07 120.40 126.89 1go0 s VAL 85 Ca 0.17 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1go0 s VAL 85 Cb -0.16 -4.78 -0.32 0.00 0.00 0.00 0.00 36.38 31.12 1go0 s VAL 85 CO 0.11 -1.59 0.97 0.58 0.00 0.00 0.00 175.10 175.16 1go0 h VAL 86 N 6.04 1.41 -3.22 2.92 2.07 -1.61 -0.40 116.25 123.45 1go0 h VAL 86 Ca -0.18 -2.54 -0.47 0.00 0.82 0.00 0.00 66.70 64.33 1go0 h VAL 86 Cb 1.05 3.05 -0.39 0.00 -1.52 0.00 0.00 31.29 33.48 1go0 h VAL 86 CO 1.21 0.74 -0.76 -0.62 0.02 0.00 0.00 177.57 178.17 1go0 s ASP 87 N -7.19 2.21 0.37 0.57 2.15 -0.84 -4.18 116.67 109.76 1go0 s ASP 87 Ca -0.12 -0.46 0.18 0.00 0.43 0.00 0.00 52.55 52.59 1go0 s ASP 87 Cb 0.03 -0.43 0.69 0.00 -0.30 0.00 0.00 42.92 42.90 1go0 s ASP 87 CO 0.88 -0.27 1.74 1.55 -0.17 0.00 0.00 175.17 178.89 1go0 h PRO 88 N 8.32 0.00 0.00 4.34 0.13 -1.85 0.36 132.00 143.30 1go0 h PRO 88 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1go0 h PRO 88 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1go0 h PRO 88 CO 0.29 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1go0 n GLY 89 N 0.18 1.30 0.11 1.56 0.00 -1.26 -2.86 105.19 104.21 1go0 n GLY 89 Ca -0.00 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1go0 n GLY 89 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1go0 h GLU 90 N 0.00 0.00 -7.02 1.61 4.11 -1.91 -3.48 114.58 107.89 1go0 h GLU 90 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 1go0 h GLU 90 Cb 0.00 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.37 1go0 h GLU 90 CO 0.00 0.00 0.63 -1.12 0.07 0.00 0.00 179.01 178.59 1go0 s SER 91 N -4.72 5.59 -0.23 3.06 0.01 -1.14 -4.91 113.70 111.36 1go0 s SER 91 Ca 0.08 2.77 0.00 0.00 1.31 0.00 0.00 55.95 60.11 1go0 s SER 91 Cb 0.11 -2.64 0.21 0.00 0.21 0.00 0.00 66.02 63.91 1go0 s SER 91 CO 0.66 -1.36 1.76 0.54 0.41 0.00 0.00 173.24 175.25 1go0 n ARG 92 N -0.66 1.59 0.15 12.44 5.12 -1.26 -4.40 116.66 129.64 1go0 n ARG 92 Ca 0.08 -1.23 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 1go0 n ARG 92 Cb 0.44 -1.48 0.24 0.00 -1.16 0.00 0.00 32.46 30.50 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1go0 h ILE 93 N 0.76 1.38 0.00 0.55 6.09 -1.89 -2.91 117.51 121.48 1go0 h ILE 93 Ca 0.24 -1.82 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 1go0 h ILE 93 Cb 1.24 1.98 0.00 0.00 0.47 0.00 0.00 36.82 40.51 1go0 h ILE 93 CO 0.54 0.52 0.00 0.18 -3.07 0.00 0.00 178.15 176.32 1go0 n LEU 94 N -3.90 0.22 0.27 2.19 4.32 -1.26 -2.38 117.00 116.45 1go0 n LEU 94 Ca -0.01 0.56 0.10 0.00 -0.02 0.00 0.00 56.01 56.64 1go0 n LEU 94 Cb 0.54 -0.53 0.72 0.00 -1.62 0.00 0.00 43.42 42.53 1go0 n LEU 94 CO 0.41 -0.38 1.05 0.00 -1.22 0.00 0.00 177.39 177.25 1go0 h ALA 95 N 2.38 1.74 0.00 -1.18 0.00 -1.70 -1.11 119.26 119.39 1go0 h ALA 95 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1go0 h ALA 95 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1go0 h ALA 95 CO 0.00 0.05 -0.30 -0.07 0.00 0.00 0.00 179.25 178.92 1go0 h LEU 96 N 0.00 0.00 -5.44 0.00 3.38 -1.70 -3.34 115.31 108.20 1go0 h LEU 96 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1go0 h LEU 96 Cb 0.08 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.52 1go0 h LEU 96 CO 0.00 0.30 -0.92 0.61 0.09 0.00 0.00 178.44 178.53 1go0 n GLY 97 N -0.55 2.20 0.00 0.83 0.00 -0.66 -4.86 105.19 102.15 1go0 n GLY 97 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1go0 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1go0 n GLY 98 N 0.14 2.28 3.51 -0.02 0.00 -0.51 -4.79 105.19 105.80 1go0 n GLY 98 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1go0 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1go0 s LYS 99 N -1.14 0.71 0.00 1.61 0.00 -1.26 -4.31 119.74 115.34 1go0 s LYS 99 Ca 0.00 0.84 0.11 0.00 0.00 0.00 0.00 55.97 56.92 1go0 s LYS 99 Cb 0.00 0.34 0.65 0.00 0.00 0.00 0.00 37.83 38.82 1go0 s LYS 99 CO 0.00 -0.08 1.09 0.39 0.00 0.00 0.00 175.35 176.74