#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 5.35 -4.76 1.61 3.41 -1.26 -4.90 113.62 113.07 1go0 n SER -1 Ca 0.00 -2.48 -0.40 0.00 -0.26 0.00 0.00 58.87 55.72 1go0 n SER -1 Cb 0.00 -1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 62.83 1go0 n SER -1 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1go0 s VAL 1 N -0.35 3.44 0.23 -3.33 0.11 -1.26 -4.94 120.40 114.30 1go0 s VAL 1 Ca 0.05 1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 60.44 1go0 s VAL 1 Cb 0.04 -3.90 0.20 0.00 -1.53 0.00 0.00 36.38 31.20 1go0 s VAL 1 CO -0.00 0.32 1.85 0.44 -3.33 0.00 0.00 175.10 174.38 1go0 h ASP 2 N 4.01 1.12 0.00 3.54 5.19 -2.01 -3.46 116.42 124.81 1go0 h ASP 2 Ca -0.47 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 1go0 h ASP 2 Cb 1.21 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1go0 h ASP 2 CO 0.68 0.90 0.00 0.33 -3.12 0.00 0.00 179.24 178.03 1go0 n PHE 3 N -4.33 0.00 -0.15 4.55 7.35 -1.26 -4.43 117.46 119.18 1go0 n PHE 3 Ca 0.09 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.72 1go0 n PHE 3 Cb 0.10 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.96 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 0.60 -0.58 3.13 0.00 -2.00 -1.24 119.26 119.17 1go0 h ALA 4 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1go0 h ALA 4 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1go0 h ALA 4 CO 0.00 -0.02 0.32 0.35 0.00 0.00 0.00 179.25 179.90 1go0 h PHE 5 N 0.57 0.59 -0.14 0.00 3.57 -1.98 -0.34 116.94 119.20 1go0 h PHE 5 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1go0 h PHE 5 Cb 0.00 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1go0 h PHE 5 CO -0.06 0.30 0.09 0.93 -2.23 0.00 0.00 178.31 177.34 1go0 h GLU 6 N 0.61 0.19 -0.51 1.11 4.39 -1.75 0.15 114.58 118.78 1go0 h GLU 6 Ca 0.25 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1go0 h GLU 6 Cb 0.12 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1go0 h GLU 6 CO -0.15 0.15 0.17 -0.07 -1.16 0.00 0.00 179.01 177.95 1go0 h LEU 7 N 0.18 0.73 -0.55 1.33 3.38 -0.89 0.17 115.31 119.65 1go0 h LEU 7 Ca 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1go0 h LEU 7 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1go0 h LEU 7 CO -0.01 0.73 0.21 0.03 0.09 0.00 0.00 178.44 179.49 1go0 h ARG 8 N 0.68 0.83 -0.31 1.13 3.08 -0.90 -0.21 114.38 118.69 1go0 h ARG 8 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1go0 h ARG 8 Cb 0.25 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1go0 h ARG 8 CO -0.01 0.72 0.01 -0.22 -1.07 0.00 0.00 179.97 179.41 1go0 h LYS 9 N 0.75 0.54 -0.15 0.04 3.11 -0.43 -2.81 116.57 117.63 1go0 h LYS 9 Ca 0.18 -0.16 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 1go0 h LYS 9 Cb 0.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1go0 h LYS 9 CO -0.01 0.66 -0.27 0.00 -2.81 0.00 0.00 179.45 177.02 1go0 h ALA 10 N 0.85 1.27 -0.13 5.00 0.00 -0.53 -1.81 119.26 123.91 1go0 h ALA 10 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1go0 h ALA 10 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1go0 h ALA 10 CO 0.01 0.49 -0.14 0.37 0.00 0.00 0.00 179.25 179.99 1go0 h GLN 11 N 0.24 0.33 0.12 0.00 4.15 -0.87 -1.15 115.11 117.93 1go0 h GLN 11 Ca 0.04 -0.17 -0.27 0.00 0.77 0.00 0.00 58.65 59.01 1go0 h GLN 11 Cb 0.62 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1go0 h GLN 11 CO 0.04 0.72 -1.38 0.38 -1.93 0.00 0.00 178.83 176.67 1go0 h ASP 12 N -0.06 0.40 -0.06 -0.69 2.03 -1.53 -3.38 116.42 113.13 1go0 h ASP 12 Ca 0.02 -0.87 -0.10 0.00 -0.73 0.00 0.00 57.03 55.36 1go0 h ASP 12 Cb 0.66 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1go0 h ASP 12 CO 0.03 1.61 -0.34 0.74 -1.03 0.00 0.00 179.24 180.25 1go0 h THR 13 N -0.29 1.43 0.00 1.15 2.02 -1.48 -3.45 112.91 112.28 1go0 h THR 13 Ca -0.29 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1go0 h THR 13 Cb 1.77 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 70.54 1go0 h THR 13 CO 0.07 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.08 1go0 n GLY 14 N 0.74 0.39 3.64 2.16 0.00 -0.54 -5.05 105.19 106.51 1go0 n GLY 14 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1go0 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1go0 s LYS 15 N 2.82 0.60 -0.06 1.61 2.20 -0.56 -4.85 119.74 121.51 1go0 s LYS 15 Ca 0.00 1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.64 1go0 s LYS 15 Cb 0.00 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1go0 s LYS 15 CO 0.00 -0.13 -0.01 0.42 -0.36 0.00 0.00 175.35 175.28 1go0 s ILE 16 N 1.54 0.38 -0.20 5.43 1.01 -1.26 -0.34 121.20 127.75 1go0 s ILE 16 Ca -0.10 0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1go0 s ILE 16 Cb -0.05 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 1go0 s ILE 16 CO -0.18 0.23 0.94 -0.69 0.00 0.00 0.00 174.94 175.24 1go0 s VAL 17 N 1.58 4.77 -0.18 2.92 1.01 0.68 -4.85 120.40 126.33 1go0 s VAL 17 Ca -0.01 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1go0 s VAL 17 Cb -0.13 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1go0 s VAL 17 CO -0.03 -0.08 -0.04 -0.32 0.00 0.00 0.00 175.10 174.63 1go0 s MET 18 N 2.71 3.55 0.00 2.72 1.75 -1.26 0.14 119.30 128.91 1go0 s MET 18 Ca 0.41 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 1go0 s MET 18 Cb -0.16 -2.96 0.00 0.00 2.84 0.00 0.00 34.83 34.55 1go0 s MET 18 CO 0.09 0.06 0.00 0.41 -0.65 0.00 0.00 175.02 174.94 1go0 n GLY 19 N 4.06 -0.40 2.11 2.11 0.00 -0.50 -4.92 105.19 107.64 1go0 n GLY 19 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.12 0.00 -0.25 4.61 0.00 -1.26 -1.52 120.51 121.96 1go0 n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1go0 n ALA 20 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1go0 n ALA 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1go0 h ARG 21 N 0.00 1.10 -0.83 0.00 9.65 -1.97 -1.28 114.38 121.05 1go0 h ARG 21 Ca 0.00 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1go0 h ARG 21 Cb 0.00 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 1go0 h ARG 21 CO 0.00 0.90 0.49 0.87 2.80 0.00 0.00 179.97 185.03 1go0 h LYS 22 N 1.07 1.14 -0.62 0.20 1.57 -1.91 -1.09 116.57 116.93 1go0 h LYS 22 Ca 0.25 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1go0 h LYS 22 Cb 0.21 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1go0 h LYS 22 CO -0.02 0.81 0.09 0.77 -0.57 0.00 0.00 179.45 180.53 1go0 h SER 23 N 1.15 0.97 -0.94 0.86 0.02 -1.72 -2.31 113.55 111.58 1go0 h SER 23 Ca 0.30 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1go0 h SER 23 Cb -0.03 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 1go0 h SER 23 CO -0.05 0.97 0.59 0.40 -1.14 0.00 0.00 176.83 177.60 1go0 h ILE 24 N 0.95 1.25 -0.25 3.27 2.04 -0.54 0.05 117.51 124.28 1go0 h ILE 24 Ca 0.19 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1go0 h ILE 24 Cb 0.42 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1go0 h ILE 24 CO 0.01 0.25 0.05 -0.61 0.00 0.00 0.00 178.15 177.86 1go0 h GLN 25 N 1.29 0.14 -0.13 2.37 5.75 -0.67 -0.35 115.11 123.51 1go0 h GLN 25 Ca 0.34 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.74 1go0 h GLN 25 Cb -0.10 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1go0 h GLN 25 CO -0.07 0.10 -0.33 1.88 -2.65 0.00 0.00 178.83 177.75 1go0 h TYR 26 N 0.15 0.28 -0.74 3.99 -1.99 -1.18 -1.98 116.97 115.51 1go0 h TYR 26 Ca 0.11 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1go0 h TYR 26 Cb 0.11 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1go0 h TYR 26 CO -0.16 0.56 0.24 0.00 -0.00 0.00 0.00 178.16 178.80 1go0 h ALA 27 N 1.44 1.01 -0.01 3.88 0.00 -0.06 0.38 119.26 125.90 1go0 h ALA 27 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1go0 h ALA 27 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1go0 h ALA 27 CO 0.05 0.66 -0.03 0.87 0.00 0.00 0.00 179.25 180.80 1go0 h LYS 28 N 1.11 0.04 0.00 0.00 1.57 -0.81 -3.33 116.57 115.16 1go0 h LYS 28 Ca 0.24 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 1go0 h LYS 28 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1go0 h LYS 28 CO -0.01 0.64 -0.69 0.00 -0.57 0.00 0.00 179.45 178.81 1go0 h MET 29 N -0.54 0.00 -0.48 3.15 -0.00 -1.33 -3.49 114.93 112.23 1go0 h MET 29 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1go0 h MET 29 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1go0 h MET 29 CO 0.01 0.69 0.00 0.41 -0.00 0.00 0.00 176.91 178.02 1go0 n GLY 30 N 0.71 -2.92 0.00 -3.00 0.00 0.13 -5.06 105.19 95.05 1go0 n GLY 30 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.15 0.96 3.71 -0.02 0.00 -1.23 -4.98 105.19 103.77 1go0 n GLY 31 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.72 -0.03 4.61 0.00 -1.26 -4.84 121.76 123.96 1go0 s ALA 32 Ca 0.00 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1go0 s ALA 32 Cb 0.00 -3.61 -0.27 0.00 0.00 0.00 0.00 23.12 19.24 1go0 s ALA 32 CO 0.00 -0.77 0.71 0.87 0.00 0.00 0.00 175.76 176.57 1go0 h LYS 33 N 6.95 0.24 -3.05 0.00 1.79 -0.96 -3.46 116.57 118.08 1go0 h LYS 33 Ca -0.42 -0.41 -0.39 0.00 -2.18 0.00 0.00 60.65 57.25 1go0 h LYS 33 Cb 1.20 0.15 -0.39 0.00 -1.58 0.00 0.00 32.23 31.62 1go0 h LYS 33 CO 0.90 1.08 -0.71 -1.17 -1.08 0.00 0.00 179.45 178.47 1go0 s LEU 34 N -6.92 0.15 -0.21 2.94 0.20 -0.68 -4.07 118.68 110.10 1go0 s LEU 34 Ca -0.12 -0.20 -0.10 0.00 0.69 0.00 0.00 54.13 54.40 1go0 s LEU 34 Cb 0.07 -0.03 -0.05 0.00 -0.43 0.00 0.00 46.19 45.74 1go0 s LEU 34 CO 0.83 -0.30 0.15 -0.63 -0.29 0.00 0.00 176.35 176.11 1go0 s ILE 35 N 2.20 5.39 -0.12 6.68 1.01 -0.38 0.36 121.20 136.35 1go0 s ILE 35 Ca 0.04 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1go0 s ILE 35 Cb -0.14 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1go0 s ILE 35 CO -0.07 0.41 -0.15 -0.63 0.00 0.00 0.00 174.94 174.50 1go0 s ILE 36 N 0.54 2.87 -0.07 2.92 1.01 0.91 0.27 121.20 129.65 1go0 s ILE 36 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1go0 s ILE 36 Cb -0.12 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1go0 s ILE 36 CO -0.00 0.53 -0.22 0.68 0.00 0.00 0.00 174.94 175.93 1go0 s VAL 37 N 0.28 2.30 0.20 2.92 -7.23 -0.53 -0.94 120.40 117.39 1go0 s VAL 37 Ca -0.11 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1go0 s VAL 37 Cb -0.16 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 1go0 s VAL 37 CO 0.06 0.57 0.85 0.00 -0.31 0.00 0.00 175.10 176.26 1go0 s ALA 38 N -0.11 3.40 0.18 1.32 0.00 -0.62 -0.19 121.76 125.73 1go0 s ALA 38 Ca -0.04 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 1go0 s ALA 38 Cb -0.14 -3.07 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1go0 s ALA 38 CO 0.04 0.25 1.84 0.00 0.00 0.00 0.00 175.76 177.89 1go0 h ARG 39 N 4.28 0.69 -1.98 0.00 3.08 -1.65 -2.48 114.38 116.32 1go0 h ARG 39 Ca -0.46 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 1go0 h ARG 39 Cb 1.20 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1go0 h ARG 39 CO 0.67 0.46 -0.08 0.09 -1.07 0.00 0.00 179.97 180.04 1go0 n ASN 40 N -4.73 5.38 -4.45 7.04 4.13 -1.26 -4.81 115.26 116.57 1go0 n ASN 40 Ca 0.04 -2.47 -0.22 0.00 1.68 0.00 0.00 54.58 53.60 1go0 n ASN 40 Cb 0.04 -1.21 -0.10 0.00 -1.54 0.00 0.00 39.78 36.97 1go0 n ASN 40 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1go0 s ALA 41 N 0.17 2.53 -0.12 5.41 0.00 -0.94 -4.34 121.76 124.47 1go0 s ALA 41 Ca 0.20 -1.90 -0.37 0.00 0.00 0.00 0.00 51.96 49.90 1go0 s ALA 41 Cb 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 23.12 23.06 1go0 s ALA 41 CO -0.00 0.07 1.75 0.54 0.00 0.00 0.00 175.76 178.12 1go0 n ARG 42 N -0.60 1.67 -0.36 0.00 5.12 -1.26 -4.86 116.66 116.37 1go0 n ARG 42 Ca -0.06 0.61 0.02 0.00 -1.93 0.00 0.00 57.85 56.49 1go0 n ARG 42 Cb 0.62 -2.36 0.17 0.00 -1.16 0.00 0.00 32.46 29.72 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 7.66 1.11 -0.63 5.56 0.13 -1.96 -0.69 132.00 143.17 1go0 h PRO 43 Ca -0.47 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1go0 h PRO 43 Cb 1.29 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1go0 h PRO 43 CO 0.93 0.73 0.38 0.22 -0.23 0.00 0.00 178.00 180.04 1go0 h ASP 44 N 1.14 0.76 0.13 1.44 3.58 -1.99 -0.61 116.42 120.88 1go0 h ASP 44 Ca 0.42 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 1go0 h ASP 44 Cb 0.16 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1go0 h ASP 44 CO -0.17 0.60 -0.06 0.40 -2.88 0.00 0.00 179.24 177.12 1go0 h ILE 45 N 0.86 0.93 0.18 2.25 1.08 -1.74 -0.42 117.51 120.65 1go0 h ILE 45 Ca 0.23 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1go0 h ILE 45 Cb -0.02 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1go0 h ILE 45 CO -0.04 0.05 -0.21 0.11 -0.69 0.00 0.00 178.15 177.37 1go0 h LYS 46 N -0.28 -0.42 -0.67 2.37 1.57 -0.88 -1.12 116.57 117.14 1go0 h LYS 46 Ca -0.02 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1go0 h LYS 46 Cb 0.23 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1go0 h LYS 46 CO 0.03 -0.28 0.14 1.49 -0.57 0.00 0.00 179.45 180.26 1go0 h GLU 47 N -0.43 1.09 -0.39 3.15 4.81 -1.12 0.03 114.58 121.72 1go0 h GLU 47 Ca 0.01 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1go0 h GLU 47 Cb 0.42 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1go0 h GLU 47 CO -0.07 0.97 0.15 0.22 -0.73 0.00 0.00 179.01 179.56 1go0 h ASP 48 N 1.02 0.53 -0.15 1.04 3.58 -0.87 0.41 116.42 121.98 1go0 h ASP 48 Ca 0.21 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1go0 h ASP 48 Cb 0.40 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1go0 h ASP 48 CO 0.01 0.56 0.03 0.40 -2.88 0.00 0.00 179.24 177.35 1go0 h ILE 49 N 0.48 1.21 -0.65 2.25 2.04 -1.04 -0.97 117.51 120.84 1go0 h ILE 49 Ca 0.13 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.36 1go0 h ILE 49 Cb 0.19 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1go0 h ILE 49 CO -0.01 0.20 0.36 -0.33 0.00 0.00 0.00 178.15 178.38 1go0 h GLU 50 N 0.04 0.66 0.14 2.37 5.08 -0.82 0.25 114.58 122.30 1go0 h GLU 50 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1go0 h GLU 50 Cb 0.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1go0 h GLU 50 CO 0.00 0.44 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.46 1go0 h TYR 51 N 0.68 -0.18 -0.53 4.33 3.20 -0.80 -0.83 116.97 122.84 1go0 h TYR 51 Ca 0.29 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1go0 h TYR 51 Cb 0.16 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1go0 h TYR 51 CO -0.08 0.05 0.28 1.88 -1.64 0.00 0.00 178.16 178.65 1go0 h TYR 52 N -0.38 0.75 -0.54 -3.82 -1.99 -0.87 -1.78 116.97 108.34 1go0 h TYR 52 Ca -0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1go0 h TYR 52 Cb 0.30 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1go0 h TYR 52 CO -0.01 0.57 0.25 0.00 -0.00 0.00 0.00 178.16 178.97 1go0 h ALA 53 N 1.11 0.70 -0.90 3.88 0.00 -0.49 -2.01 119.26 121.54 1go0 h ALA 53 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1go0 h ALA 53 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1go0 h ALA 53 CO -0.03 0.27 0.50 -0.09 0.00 0.00 0.00 179.25 179.90 1go0 h ARG 54 N 0.73 1.26 -0.49 0.00 2.43 -0.86 0.63 114.38 118.08 1go0 h ARG 54 Ca 0.18 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1go0 h ARG 54 Cb 0.14 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1go0 h ARG 54 CO -0.02 0.91 0.29 -0.07 -1.51 0.00 0.00 179.97 179.57 1go0 h LEU 55 N 1.26 0.59 -0.48 3.80 3.38 -1.00 -2.56 115.31 120.31 1go0 h LEU 55 Ca 0.32 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1go0 h LEU 55 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1go0 h LEU 55 CO -0.05 0.48 -0.46 -1.28 0.09 0.00 0.00 178.44 177.22 1go0 h SER 56 N 0.65 0.81 0.00 -0.43 0.87 -0.86 -3.47 113.55 111.11 1go0 h SER 56 Ca 0.17 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1go0 h SER 56 Cb 0.01 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1go0 h SER 56 CO -0.03 1.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.02 1go0 n GLY 57 N 0.16 1.74 3.61 5.77 0.00 0.17 -5.08 105.19 111.56 1go0 n GLY 57 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 4.99 0.23 -0.61 1.01 0.16 -4.98 121.20 120.00 1go0 s ILE 58 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1go0 s ILE 58 Cb 0.00 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 1go0 s ILE 58 CO 0.00 0.38 1.39 -2.84 0.00 0.00 0.00 174.94 173.86 1go0 s PRO 59 N 0.97 4.32 -0.20 2.79 0.02 -1.26 -4.01 135.00 137.63 1go0 s PRO 59 Ca 0.06 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 1go0 s PRO 59 Cb -0.14 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.26 1go0 s PRO 59 CO 0.03 -0.35 -0.15 0.08 -0.33 0.00 0.00 177.00 176.28 1go0 s VAL 60 N 0.02 2.40 -0.16 3.83 1.01 -1.26 -1.24 120.40 125.00 1go0 s VAL 60 Ca 0.58 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 1go0 s VAL 60 Cb -0.40 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1go0 s VAL 60 CO 0.41 0.44 0.64 -0.47 0.00 0.00 0.00 175.10 176.13 1go0 s TYR 61 N 1.31 3.44 -0.47 5.22 5.04 0.14 -4.97 117.35 127.05 1go0 s TYR 61 Ca 0.04 1.02 -0.26 0.00 -2.44 0.00 0.00 57.07 55.42 1go0 s TYR 61 Cb -0.14 -2.79 0.03 0.00 0.35 0.00 0.00 41.96 39.41 1go0 s TYR 61 CO -0.10 -0.09 0.99 -2.00 -1.34 0.00 0.00 175.55 173.01 1go0 s GLU 62 N 1.55 3.57 -0.43 4.97 -6.30 -1.26 -1.46 118.70 119.34 1go0 s GLU 62 Ca 0.31 0.24 -0.28 0.00 -2.50 0.00 0.00 54.97 52.74 1go0 s GLU 62 Cb -0.16 -3.93 -0.01 0.00 0.00 0.00 0.00 34.13 30.03 1go0 s GLU 62 CO 0.12 -1.29 1.63 0.12 0.02 0.00 0.00 175.26 175.86 1go0 s PHE 63 N 3.98 2.04 -1.17 5.30 5.36 0.73 -4.88 117.98 129.34 1go0 s PHE 63 Ca 0.40 0.64 -0.08 0.00 -0.96 0.00 0.00 56.93 56.93 1go0 s PHE 63 Cb -0.09 -4.22 -0.08 0.00 -0.34 0.00 0.00 43.02 38.28 1go0 s PHE 63 CO 0.27 -2.42 2.60 -0.85 -1.46 0.00 0.00 175.22 173.37 1go0 n GLU 64 N 8.47 2.82 0.00 10.12 0.28 -1.26 -3.00 120.64 138.07 1go0 n GLU 64 Ca 0.19 -1.75 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 1go0 n GLU 64 Cb 0.48 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.79 1go0 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1go0 n GLY 65 N 3.57 3.53 3.25 -1.84 0.00 -1.26 -5.07 105.19 107.37 1go0 n GLY 65 Ca 0.60 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1go0 n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1go0 s THR 66 N -0.59 1.49 0.46 2.61 -1.32 -1.26 -3.92 115.64 113.10 1go0 s THR 66 Ca 0.00 -1.54 0.32 0.00 -1.21 0.00 0.00 61.69 59.27 1go0 s THR 66 Cb 0.00 -1.44 0.35 0.00 -1.51 0.00 0.00 72.50 69.90 1go0 s THR 66 CO 0.00 -0.19 2.16 0.77 -2.21 0.00 0.00 174.62 175.15 1go0 h SER 67 N 3.97 0.00 0.02 8.08 4.64 -1.81 -1.38 113.55 127.08 1go0 h SER 67 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1go0 h SER 67 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1go0 h SER 67 CO 0.43 0.06 -0.01 0.58 -0.87 0.00 0.00 176.83 177.01 1go0 h VAL 68 N 0.00 1.24 -0.44 0.95 2.07 -1.90 0.44 116.25 118.62 1go0 h VAL 68 Ca -0.00 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1go0 h VAL 68 Cb 0.23 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1go0 h VAL 68 CO 0.01 0.21 0.09 -0.33 0.02 0.00 0.00 177.57 177.57 1go0 h GLU 69 N -0.39 0.71 -0.86 1.57 4.39 -1.92 -1.61 114.58 116.47 1go0 h GLU 69 Ca -0.00 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1go0 h GLU 69 Cb 0.37 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1go0 h GLU 69 CO 0.01 0.73 0.53 1.25 -1.16 0.00 0.00 179.01 180.37 1go0 h LEU 70 N 0.58 1.03 -0.07 1.33 5.85 -1.22 0.56 115.31 123.37 1go0 h LEU 70 Ca 0.14 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1go0 h LEU 70 Cb 0.35 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1go0 h LEU 70 CO 0.00 0.78 0.03 1.23 -0.34 0.00 0.00 178.44 180.14 1go0 h GLY 71 N 1.18 0.10 1.74 3.75 0.00 0.23 -0.92 103.07 109.16 1go0 h GLY 71 Ca 0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1go0 h GLY 71 CO -0.06 0.05 -0.30 0.00 0.00 0.00 0.00 176.54 176.23 1go0 h THR 72 N -0.03 1.27 -0.14 4.70 1.03 -1.11 0.28 112.91 118.90 1go0 h THR 72 Ca 0.02 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.15 1go0 h THR 72 Cb 0.14 1.48 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1go0 h THR 72 CO -0.00 0.39 0.07 0.25 -0.01 0.00 0.00 175.52 176.22 1go0 h LEU 73 N 0.26 0.18 0.01 0.00 6.46 -0.58 -3.15 115.31 118.49 1go0 h LEU 73 Ca 0.04 -0.10 -0.27 0.00 -0.12 0.00 0.00 57.88 57.43 1go0 h LEU 73 Cb 0.67 -0.05 0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1go0 h LEU 73 CO 0.05 0.22 -1.09 -0.07 -0.62 0.00 0.00 178.44 176.94 1go0 h LEU 74 N 0.12 0.85 0.00 2.25 4.07 -1.02 -3.46 115.31 118.12 1go0 h LEU 74 Ca 0.05 -0.71 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1go0 h LEU 74 Cb 0.09 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1go0 h LEU 74 CO -0.01 1.51 0.00 0.61 -1.08 0.00 0.00 178.44 179.47 1go0 n GLY 75 N 1.15 0.79 2.75 0.83 0.00 0.29 -5.08 105.19 105.92 1go0 n GLY 75 Ca -0.11 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 0.16 0.60 0.06 1.61 6.06 0.71 -5.01 118.95 123.13 1go0 s ARG 76 Ca 0.00 -0.08 -0.25 0.00 -2.50 0.00 0.00 55.73 52.91 1go0 s ARG 76 Cb 0.00 -1.40 -0.16 0.00 0.06 0.00 0.00 34.95 33.45 1go0 s ARG 76 CO 0.00 -0.43 1.61 -1.35 -2.50 0.00 0.00 175.30 172.63 1go0 h PRO 77 N 8.31 -0.11 -1.95 5.12 0.11 -1.99 -3.01 132.00 138.48 1go0 h PRO 77 Ca -0.18 0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.71 1go0 h PRO 77 Cb 1.12 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1go0 h PRO 77 CO 0.29 0.02 -0.06 -2.39 -0.21 0.00 0.00 178.00 175.65 1go0 n HIS 78 N -5.09 0.48 -1.25 0.65 1.44 -1.26 -4.96 115.22 105.24 1go0 n HIS 78 Ca -0.08 -1.53 0.14 0.00 -2.01 0.00 0.00 57.72 54.25 1go0 n HIS 78 Cb 0.12 -1.25 -0.05 0.00 0.12 0.00 0.00 29.99 28.93 1go0 n HIS 78 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1go0 n THR 79 N 1.72 0.00 -4.39 0.61 -2.24 -1.14 -4.91 114.28 103.94 1go0 n THR 79 Ca 0.33 0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 62.21 1go0 n THR 79 Cb 0.72 -0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 68.02 1go0 n THR 79 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1go0 s VAL 80 N -3.23 1.50 -0.03 2.28 1.01 -1.19 -4.84 120.40 115.90 1go0 s VAL 80 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1go0 s VAL 80 Cb 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 36.38 34.68 1go0 s VAL 80 CO 0.00 0.44 0.77 0.77 0.00 0.00 0.00 175.10 177.08 1go0 h SER 81 N 7.51 0.68 -5.01 3.32 4.64 -1.90 -3.42 113.55 119.37 1go0 h SER 81 Ca -0.32 -0.93 -0.04 0.00 -0.47 0.00 0.00 61.79 60.03 1go0 h SER 81 Cb 1.17 -0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.89 1go0 h SER 81 CO 0.49 1.75 0.16 0.00 -0.87 0.00 0.00 176.83 178.36 1go0 s ALA 82 N -2.58 -1.56 -0.06 5.18 0.00 -0.58 -1.59 121.76 120.58 1go0 s ALA 82 Ca -0.14 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1go0 s ALA 82 Cb 0.05 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1go0 s ALA 82 CO 0.88 -0.60 0.15 -0.48 0.00 0.00 0.00 175.76 175.70 1go0 s LEU 83 N -2.17 1.27 -0.30 0.00 2.34 -0.11 -1.41 118.68 118.30 1go0 s LEU 83 Ca -0.03 0.30 -0.04 0.00 0.06 0.00 0.00 54.13 54.41 1go0 s LEU 83 Cb -0.01 0.47 0.03 0.00 -0.56 0.00 0.00 46.19 46.12 1go0 s LEU 83 CO -0.04 -0.07 0.04 0.00 -1.06 0.00 0.00 176.35 175.21 1go0 s ALA 84 N 0.34 2.92 -0.25 1.48 0.00 0.12 -0.06 121.76 126.31 1go0 s ALA 84 Ca -0.02 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 1go0 s ALA 84 Cb -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1go0 s ALA 84 CO -0.01 -1.13 1.17 0.08 0.00 0.00 0.00 175.76 175.87 1go0 s VAL 85 N 1.37 4.41 -0.18 0.00 1.01 0.16 -0.23 120.40 126.94 1go0 s VAL 85 Ca -0.01 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 1go0 s VAL 85 Cb -0.18 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.75 1go0 s VAL 85 CO 0.00 -0.32 0.16 0.52 0.00 0.00 0.00 175.10 175.46 1go0 n VAL 86 N 5.69 1.66 -3.93 2.92 0.31 0.53 -0.44 118.33 125.08 1go0 n VAL 86 Ca 0.13 -0.53 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1go0 n VAL 86 Cb 0.46 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 1go0 n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1go0 s ASP 87 N -6.93 4.52 -0.56 4.52 -1.08 -1.09 -4.40 116.67 111.65 1go0 s ASP 87 Ca -0.27 -3.34 -0.02 0.00 -0.52 0.00 0.00 52.55 48.40 1go0 s ASP 87 Cb 0.08 -1.64 0.35 0.00 -1.46 0.00 0.00 42.92 40.24 1go0 s ASP 87 CO 0.69 -0.18 2.07 -0.81 0.52 0.00 0.00 175.17 177.46 1go0 n PRO 88 N 2.68 2.39 0.16 4.34 -0.04 -1.26 -4.07 135.00 139.19 1go0 n PRO 88 Ca 0.11 -2.70 -0.07 0.00 -0.04 0.00 0.00 63.50 60.80 1go0 n PRO 88 Cb 0.33 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1go0 n PRO 88 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1go0 h GLY 89 N 2.32 -0.48 0.92 0.55 0.00 -1.97 -3.38 103.07 101.03 1go0 h GLY 89 Ca 0.49 0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.86 1go0 h GLY 89 CO 1.28 -0.17 -0.47 0.83 0.00 0.00 0.00 176.54 178.01 1go0 h GLU 90 N -0.88 0.58 -6.81 4.80 3.07 -1.97 -3.44 114.58 109.92 1go0 h GLU 90 Ca -0.05 -0.42 -0.52 0.00 -0.50 0.00 0.00 59.36 57.87 1go0 h GLU 90 Cb 0.35 0.07 0.05 0.00 -0.84 0.00 0.00 28.75 28.38 1go0 h GLU 90 CO 0.08 1.04 0.61 0.45 -1.40 0.00 0.00 179.01 179.79 1go0 s SER 91 N -6.66 6.90 -0.49 1.42 0.15 -1.26 -4.92 113.70 108.84 1go0 s SER 91 Ca -0.12 2.53 0.02 0.00 0.70 0.00 0.00 55.95 59.07 1go0 s SER 91 Cb 0.06 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.30 1go0 s SER 91 CO 0.83 -0.46 1.92 0.54 1.20 0.00 0.00 173.24 177.27 1go0 n ARG 92 N 1.43 2.31 0.29 5.44 5.12 -1.26 -4.40 116.66 125.59 1go0 n ARG 92 Ca 0.02 -2.90 0.18 0.00 -1.93 0.00 0.00 57.85 53.21 1go0 n ARG 92 Cb 0.43 -2.14 0.88 0.00 -1.16 0.00 0.00 32.46 30.47 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 0.96 0.21 -0.05 0.55 6.09 -1.91 -2.02 117.51 121.34 1go0 h ILE 93 Ca 0.59 -0.35 0.01 0.00 -1.37 0.00 0.00 64.86 63.75 1go0 h ILE 93 Cb 2.12 1.28 -0.00 0.00 0.47 0.00 0.00 36.82 40.69 1go0 h ILE 93 CO 1.19 0.04 0.07 -0.07 -3.07 0.00 0.00 178.15 176.31 1go0 h LEU 94 N 0.00 0.00 -0.56 2.19 3.38 -1.89 -0.46 115.31 117.96 1go0 h LEU 94 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1go0 h LEU 94 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1go0 h LEU 94 CO 0.01 0.00 0.15 0.00 0.09 0.00 0.00 178.44 178.68 1go0 h ALA 95 N 1.91 0.73 -0.00 1.53 0.00 -1.72 0.84 119.26 122.55 1go0 h ALA 95 Ca 0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1go0 h ALA 95 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1go0 h ALA 95 CO -0.00 0.42 -0.80 -0.07 0.00 0.00 0.00 179.25 178.80 1go0 h LEU 96 N 0.79 0.08 -0.99 0.00 4.07 -1.31 -3.07 115.31 114.88 1go0 h LEU 96 Ca 0.18 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 1go0 h LEU 96 Cb 0.32 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1go0 h LEU 96 CO -0.00 0.84 -0.25 1.23 -1.08 0.00 0.00 178.44 179.18 1go0 h GLY 97 N 2.16 0.47 0.00 0.83 0.00 -0.90 -3.47 103.07 102.16 1go0 h GLY 97 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1go0 h GLY 97 CO 0.11 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1go0 n GLY 98 N -0.42 1.55 5.00 4.60 0.00 0.25 -4.70 105.19 111.47 1go0 n GLY 98 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1go0 n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1go0 n LYS 99 N 0.00 0.00 -0.48 1.61 5.02 -1.26 -4.93 118.16 118.11 1go0 n LYS 99 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1go0 n LYS 99 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1go0 n LYS 99 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27