#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1go0 s SER -1 N 0.00 7.22 0.08 1.61 1.04 -1.26 -5.04 113.70 117.35 1go0 s SER -1 Ca 0.00 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.51 1go0 s SER -1 Cb 0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1go0 s SER -1 CO 0.00 -0.28 -0.08 0.68 0.98 0.00 0.00 173.24 174.54 1go0 s VAL 1 N 0.11 0.69 0.00 5.02 -7.23 -1.26 -5.03 120.40 112.70 1go0 s VAL 1 Ca 0.52 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1go0 s VAL 1 Cb -0.29 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1go0 s VAL 1 CO 0.33 -0.61 0.00 -0.67 -0.31 0.00 0.00 175.10 173.85 1go0 n ASP 2 N 0.69 0.00 -2.70 4.85 2.03 -1.26 -4.98 116.55 115.17 1go0 n ASP 2 Ca -0.17 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.04 1go0 n ASP 2 Cb 0.58 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 41.08 1go0 n ASP 2 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1go0 n PHE 3 N -1.96 -1.71 -0.02 -0.67 1.16 -1.26 -4.84 117.46 108.16 1go0 n PHE 3 Ca 0.00 0.10 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 1go0 n PHE 3 Cb 0.00 -1.98 -0.06 0.00 -1.61 0.00 0.00 39.48 35.83 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 0.99 0.15 -0.11 1.98 0.00 -1.99 0.20 119.26 120.48 1go0 h ALA 4 Ca -0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1go0 h ALA 4 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1go0 h ALA 4 CO 0.25 -0.26 0.06 0.35 0.00 0.00 0.00 179.25 179.64 1go0 h PHE 5 N 0.04 0.16 -0.14 0.00 3.57 -1.99 -1.70 116.94 116.88 1go0 h PHE 5 Ca 0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1go0 h PHE 5 Cb 0.16 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1go0 h PHE 5 CO -0.02 0.20 -0.07 0.93 -2.23 0.00 0.00 178.31 177.12 1go0 h GLU 6 N 0.07 -0.06 -0.31 1.11 3.07 -1.88 0.15 114.58 116.74 1go0 h GLU 6 Ca 0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1go0 h GLU 6 Cb 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1go0 h GLU 6 CO -0.01 -0.04 0.05 1.25 -1.40 0.00 0.00 179.01 178.87 1go0 h LEU 7 N -0.06 0.48 -0.54 1.33 5.85 -0.54 0.13 115.31 121.96 1go0 h LEU 7 Ca 0.08 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1go0 h LEU 7 Cb 0.18 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1go0 h LEU 7 CO -0.18 0.61 0.22 0.03 -0.34 0.00 0.00 178.44 178.79 1go0 h ARG 8 N 0.33 0.81 -0.48 1.25 3.08 -1.15 -1.10 114.38 117.11 1go0 h ARG 8 Ca 0.09 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1go0 h ARG 8 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1go0 h ARG 8 CO 0.01 0.70 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.38 1go0 h LYS 9 N 0.73 0.81 -0.73 0.04 1.63 -0.56 -0.94 116.57 117.56 1go0 h LYS 9 Ca 0.18 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 1go0 h LYS 9 Cb 0.19 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1go0 h LYS 9 CO -0.02 0.82 0.27 0.00 -3.45 0.00 0.00 179.45 177.07 1go0 h ALA 10 N 1.24 0.94 -0.61 5.00 0.00 -0.32 0.97 119.26 126.49 1go0 h ALA 10 Ca 0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1go0 h ALA 10 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1go0 h ALA 10 CO 0.02 0.59 0.03 0.37 0.00 0.00 0.00 179.25 180.25 1go0 h GLN 11 N 1.05 1.06 0.01 0.00 -0.00 -0.84 0.35 115.11 116.73 1go0 h GLN 11 Ca 0.24 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1go0 h GLN 11 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.62 1go0 h GLN 11 CO -0.02 1.02 -0.00 -0.44 0.00 0.00 0.00 178.83 179.39 1go0 h ASP 12 N 0.96 -0.01 0.00 -0.69 3.32 -0.64 -3.35 116.42 116.00 1go0 h ASP 12 Ca 0.18 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1go0 h ASP 12 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1go0 h ASP 12 CO 0.03 0.14 -0.06 0.71 -1.72 0.00 0.00 179.24 178.33 1go0 h THR 13 N -0.16 1.40 0.00 0.35 1.35 -0.77 -3.47 112.91 111.61 1go0 h THR 13 Ca -0.00 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1go0 h THR 13 Cb 0.15 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1go0 h THR 13 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1go0 n GLY 14 N 1.63 0.51 3.64 5.82 0.00 0.12 -4.91 105.19 112.01 1go0 n GLY 14 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 3.02 0.70 -0.17 1.61 2.20 -1.16 -4.76 119.74 121.18 1go0 s LYS 15 Ca 0.00 1.10 -0.01 0.00 -0.36 0.00 0.00 55.97 56.70 1go0 s LYS 15 Cb 0.00 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 1go0 s LYS 15 CO 0.00 -0.13 -0.10 0.42 -0.36 0.00 0.00 175.35 175.18 1go0 s ILE 16 N 1.30 3.08 -0.48 5.43 -1.09 -1.26 -1.83 121.20 126.35 1go0 s ILE 16 Ca -0.07 -0.62 -0.22 0.00 -2.23 0.00 0.00 60.65 57.50 1go0 s ILE 16 Cb -0.05 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1go0 s ILE 16 CO -0.15 0.49 0.77 -0.69 -1.23 0.00 0.00 174.94 174.13 1go0 s VAL 17 N 0.87 4.65 -0.10 2.92 1.01 0.66 -4.90 120.40 125.52 1go0 s VAL 17 Ca -0.03 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1go0 s VAL 17 Cb -0.15 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1go0 s VAL 17 CO 0.00 -0.80 0.42 -0.04 0.00 0.00 0.00 175.10 174.68 1go0 s MET 18 N 3.26 4.22 0.00 2.72 -1.94 -1.26 -0.55 119.30 125.74 1go0 s MET 18 Ca 0.27 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.61 1go0 s MET 18 Cb -0.14 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.33 1go0 s MET 18 CO 0.20 0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 1go0 n GLY 19 N 2.92 -0.26 1.67 -0.03 0.00 -0.84 -4.95 105.19 103.70 1go0 n GLY 19 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 0.00 -0.07 4.61 0.00 -1.26 -1.52 120.51 122.02 1go0 n ALA 20 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1go0 n ALA 20 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.73 -0.05 0.00 0.11 -1.96 -1.62 114.38 111.59 1go0 h ARG 21 Ca 0.00 -0.26 -0.07 0.00 0.10 0.00 0.00 59.98 59.75 1go0 h ARG 21 Cb 0.00 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 1go0 h ARG 21 CO 0.00 0.85 -0.29 0.87 0.10 0.00 0.00 179.97 181.50 1go0 h LYS 22 N 0.65 0.09 -0.43 0.08 1.57 -1.92 0.14 116.57 116.74 1go0 h LYS 22 Ca 0.10 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1go0 h LYS 22 Cb 0.64 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1go0 h LYS 22 CO 0.04 0.38 -0.16 1.03 -0.57 0.00 0.00 179.45 180.18 1go0 h SER 23 N 0.08 0.81 -0.57 0.86 0.87 -1.71 0.12 113.55 114.02 1go0 h SER 23 Ca 0.01 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 1go0 h SER 23 Cb 0.56 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1go0 h SER 23 CO 0.04 0.97 0.11 0.40 -0.53 0.00 0.00 176.83 177.81 1go0 h ILE 24 N 0.72 1.25 -0.15 2.23 2.04 -0.32 0.16 117.51 123.44 1go0 h ILE 24 Ca 0.11 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1go0 h ILE 24 Cb 0.66 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1go0 h ILE 24 CO 0.05 0.35 0.10 -0.61 0.00 0.00 0.00 178.15 178.04 1go0 h GLN 25 N 0.83 0.20 -0.21 2.37 4.15 -0.27 -0.07 115.11 122.12 1go0 h GLN 25 Ca 0.17 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 1go0 h GLN 25 Cb 0.40 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1go0 h GLN 25 CO 0.01 0.14 -0.13 1.88 -1.93 0.00 0.00 178.83 178.80 1go0 h TYR 26 N 0.20 0.36 -0.65 3.99 -1.99 -0.57 -0.97 116.97 117.34 1go0 h TYR 26 Ca 0.06 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1go0 h TYR 26 Cb -0.02 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1go0 h TYR 26 CO -0.07 0.47 0.24 0.00 -0.00 0.00 0.00 178.16 178.80 1go0 h ALA 27 N 1.55 0.85 -0.34 3.88 0.00 0.03 0.43 119.26 125.65 1go0 h ALA 27 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1go0 h ALA 27 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1go0 h ALA 27 CO 0.02 0.49 0.12 0.87 0.00 0.00 0.00 179.25 180.76 1go0 h LYS 28 N 0.93 0.53 -0.62 0.00 1.57 -0.44 -3.04 116.57 115.50 1go0 h LYS 28 Ca 0.22 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1go0 h LYS 28 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1go0 h LYS 28 CO -0.01 0.54 0.06 0.52 -0.57 0.00 0.00 179.45 179.98 1go0 h MET 29 N 0.41 1.05 -0.45 3.15 2.86 -0.83 -3.47 114.93 117.64 1go0 h MET 29 Ca 0.11 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1go0 h MET 29 Cb 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1go0 h MET 29 CO -0.01 0.99 -0.09 0.41 1.06 0.00 0.00 176.91 179.28 1go0 n GLY 30 N -0.54 0.28 0.14 8.32 0.00 0.15 -4.95 105.19 108.58 1go0 n GLY 30 Ca 0.04 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1go0 n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1go0 h GLY 31 N 0.00 0.44 -4.14 -0.02 0.00 -1.85 -3.46 103.07 94.05 1go0 h GLY 31 Ca -0.08 -1.13 -0.52 0.00 0.00 0.00 0.00 47.33 45.60 1go0 h GLY 31 CO 0.10 0.99 0.56 0.00 0.00 0.00 0.00 176.54 178.18 1go0 s ALA 32 N -2.59 3.44 0.15 3.60 0.00 -1.26 -4.86 121.76 120.24 1go0 s ALA 32 Ca -0.14 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 1go0 s ALA 32 Cb 0.06 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1go0 s ALA 32 CO 0.87 -0.37 1.35 0.87 0.00 0.00 0.00 175.76 178.47 1go0 h LYS 33 N 5.14 0.29 -4.03 0.00 1.57 -1.08 -3.46 116.57 115.00 1go0 h LYS 33 Ca -0.45 -0.31 -0.19 0.00 -1.87 0.00 0.00 60.65 57.83 1go0 h LYS 33 Cb 1.21 0.09 -0.22 0.00 0.08 0.00 0.00 32.23 33.39 1go0 h LYS 33 CO 0.74 1.01 -0.71 -1.17 -0.57 0.00 0.00 179.45 178.76 1go0 s LEU 34 N -7.58 2.21 -0.03 2.94 2.96 -0.62 -4.16 118.68 114.40 1go0 s LEU 34 Ca -0.04 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1go0 s LEU 34 Cb 0.10 0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.85 1go0 s LEU 34 CO 0.84 -0.25 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.94 1go0 s ILE 35 N -1.28 0.55 -0.08 6.68 1.01 -0.58 0.46 121.20 127.95 1go0 s ILE 35 Ca -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.38 1go0 s ILE 35 Cb -0.09 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1go0 s ILE 35 CO -0.01 0.20 -0.24 -0.63 0.00 0.00 0.00 174.94 174.26 1go0 s ILE 36 N 0.53 2.07 -0.06 2.92 1.01 -0.31 -0.01 121.20 127.35 1go0 s ILE 36 Ca -0.07 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1go0 s ILE 36 Cb -0.11 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1go0 s ILE 36 CO 0.00 0.56 -0.23 0.68 0.00 0.00 0.00 174.94 175.95 1go0 s VAL 37 N 0.09 1.94 0.33 2.92 -7.23 -0.37 -1.15 120.40 116.93 1go0 s VAL 37 Ca -0.11 -0.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.78 1go0 s VAL 37 Cb -0.16 -1.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.03 1go0 s VAL 37 CO 0.06 0.54 1.23 0.00 -0.31 0.00 0.00 175.10 176.62 1go0 s ALA 38 N -0.04 3.41 0.34 1.32 0.00 -0.38 -0.25 121.76 126.15 1go0 s ALA 38 Ca -0.06 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1go0 s ALA 38 Cb -0.14 -3.42 0.60 0.00 0.00 0.00 0.00 23.12 20.15 1go0 s ALA 38 CO 0.04 -0.50 1.92 0.07 0.00 0.00 0.00 175.76 177.29 1go0 h ARG 39 N 3.34 0.68 -1.41 0.00 0.11 -1.56 -2.48 114.38 113.07 1go0 h ARG 39 Ca -0.48 -0.10 -0.44 0.00 0.10 0.00 0.00 59.98 59.05 1go0 h ARG 39 Cb 1.22 -0.12 -0.19 0.00 1.11 0.00 0.00 29.97 32.00 1go0 h ARG 39 CO 0.65 0.57 0.56 -1.71 0.10 0.00 0.00 179.97 180.15 1go0 n ASN 40 N -4.34 6.85 -4.82 0.08 4.05 -1.26 -4.90 115.26 110.92 1go0 n ASN 40 Ca 0.03 -3.30 -0.29 0.00 0.45 0.00 0.00 54.58 51.48 1go0 n ASN 40 Cb 0.17 -1.05 -0.05 0.00 1.23 0.00 0.00 39.78 40.08 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 -2.43 3.66 0.25 5.20 0.00 -0.93 -4.60 121.76 122.91 1go0 s ALA 41 Ca 0.43 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 1go0 s ALA 41 Cb 0.33 -1.50 -0.13 0.00 0.00 0.00 0.00 23.12 21.83 1go0 s ALA 41 CO -0.03 0.65 1.49 0.54 0.00 0.00 0.00 175.76 178.41 1go0 n ARG 42 N 0.05 2.26 -0.19 0.00 1.74 -1.26 -4.83 116.66 114.43 1go0 n ARG 42 Ca -0.08 0.81 0.10 0.00 -0.77 0.00 0.00 57.85 57.90 1go0 n ARG 42 Cb 0.53 -2.52 0.40 0.00 -1.02 0.00 0.00 32.46 29.85 1go0 n ARG 42 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1go0 h PRO 43 N 4.64 0.63 -0.55 5.56 0.13 -1.97 -0.90 132.00 139.54 1go0 h PRO 43 Ca -0.45 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1go0 h PRO 43 Cb 1.26 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1go0 h PRO 43 CO 0.79 0.42 0.22 0.22 -0.23 0.00 0.00 178.00 179.42 1go0 h ASP 44 N 0.65 0.26 0.05 1.44 3.58 -2.00 0.54 116.42 120.93 1go0 h ASP 44 Ca 0.35 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 1go0 h ASP 44 Cb 0.49 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1go0 h ASP 44 CO -0.13 0.17 -0.02 0.40 -2.88 0.00 0.00 179.24 176.78 1go0 h ILE 45 N 0.42 1.31 -0.27 2.25 1.08 -1.64 -3.29 117.51 117.37 1go0 h ILE 45 Ca 0.26 -1.39 -0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1go0 h ILE 45 Cb 0.27 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 1go0 h ILE 45 CO -0.25 0.34 0.17 0.11 -0.69 0.00 0.00 178.15 177.83 1go0 h LYS 46 N -0.71 0.36 -0.66 2.37 1.57 -1.03 -2.84 116.57 115.63 1go0 h LYS 46 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1go0 h LYS 46 Cb 0.61 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1go0 h LYS 46 CO 0.01 0.27 0.43 1.49 -0.57 0.00 0.00 179.45 181.08 1go0 h GLU 47 N 0.35 0.83 0.03 3.15 4.81 -1.03 -0.77 114.58 121.96 1go0 h GLU 47 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1go0 h GLU 47 Cb -0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1go0 h GLU 47 CO -0.02 0.55 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.36 1go0 h ASP 48 N 0.86 -0.04 0.11 1.04 3.32 -1.61 -0.66 116.42 119.44 1go0 h ASP 48 Ca 0.25 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1go0 h ASP 48 Cb -0.05 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1go0 h ASP 48 CO -0.08 0.05 -0.10 0.40 -1.72 0.00 0.00 179.24 177.80 1go0 h ILE 49 N -0.12 0.79 -0.68 0.35 2.04 -1.24 -0.76 117.51 117.87 1go0 h ILE 49 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1go0 h ILE 49 Cb 0.11 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1go0 h ILE 49 CO 0.01 0.00 0.29 -0.33 0.00 0.00 0.00 178.15 178.12 1go0 h GLU 50 N -0.22 1.00 -0.04 2.37 5.08 -1.13 -0.82 114.58 120.82 1go0 h GLU 50 Ca -0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1go0 h GLU 50 Cb 0.20 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1go0 h GLU 50 CO -0.01 0.82 0.01 -0.92 -1.00 0.00 0.00 179.01 177.91 1go0 h TYR 51 N 0.96 0.06 -0.60 4.33 3.20 -0.94 -0.77 116.97 123.20 1go0 h TYR 51 Ca 0.23 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1go0 h TYR 51 Cb 0.18 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1go0 h TYR 51 CO 0.01 0.21 0.22 1.88 -1.64 0.00 0.00 178.16 178.85 1go0 h TYR 52 N -0.11 0.93 -0.67 -3.82 0.05 -1.03 -2.30 116.97 110.02 1go0 h TYR 52 Ca 0.01 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1go0 h TYR 52 Cb 0.18 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1go0 h TYR 52 CO -0.01 0.76 0.17 0.00 -1.05 0.00 0.00 178.16 178.02 1go0 h ALA 53 N 1.08 1.03 -0.72 3.88 0.00 -1.04 -2.13 119.26 121.35 1go0 h ALA 53 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1go0 h ALA 53 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1go0 h ALA 53 CO -0.01 0.64 0.32 0.00 0.00 0.00 0.00 179.25 180.19 1go0 h ARG 54 N 1.01 1.05 -0.64 0.00 2.47 -0.87 -2.50 114.38 114.91 1go0 h ARG 54 Ca 0.21 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1go0 h ARG 54 Cb 0.35 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1go0 h ARG 54 CO 0.00 0.85 0.37 -0.07 0.56 0.00 0.00 179.97 181.67 1go0 h LEU 55 N 1.02 0.78 0.00 3.04 3.38 -1.10 -3.42 115.31 119.01 1go0 h LEU 55 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1go0 h LEU 55 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1go0 h LEU 55 CO -0.03 0.63 0.00 -0.24 0.09 0.00 0.00 178.44 178.90 1go0 n SER 56 N -4.57 0.00 -2.56 -0.43 2.88 -0.83 -5.02 113.62 103.09 1go0 n SER 56 Ca 0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1go0 n SER 56 Cb 0.07 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.56 1go0 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1go0 n GLY 57 N 5.00 3.37 3.40 0.46 0.00 -1.20 -4.97 105.19 111.25 1go0 n GLY 57 Ca 0.00 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.07 3.96 -0.11 -0.61 1.01 -0.97 -5.03 121.20 115.38 1go0 s ILE 58 Ca 0.35 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1go0 s ILE 58 Cb 0.40 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1go0 s ILE 58 CO -0.03 0.38 1.28 -2.84 0.00 0.00 0.00 174.94 173.73 1go0 s PRO 59 N 1.47 4.27 -0.28 2.79 0.02 -1.26 -4.36 135.00 137.65 1go0 s PRO 59 Ca 0.05 1.72 -0.10 0.00 0.02 0.00 0.00 61.00 62.70 1go0 s PRO 59 Cb -0.15 -3.70 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 1go0 s PRO 59 CO 0.01 -0.63 0.15 0.08 -0.33 0.00 0.00 177.00 176.28 1go0 s VAL 60 N 3.05 4.86 -0.20 3.83 1.01 -1.26 -1.53 120.40 130.17 1go0 s VAL 60 Ca 0.57 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1go0 s VAL 60 Cb -0.24 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1go0 s VAL 60 CO 0.19 0.24 0.36 -0.47 0.00 0.00 0.00 175.10 175.41 1go0 s TYR 61 N 1.69 3.38 -0.45 5.22 5.04 0.99 -4.98 117.35 128.24 1go0 s TYR 61 Ca 0.06 0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 54.97 1go0 s TYR 61 Cb -0.16 -2.47 0.03 0.00 0.35 0.00 0.00 41.96 39.71 1go0 s TYR 61 CO 0.08 0.03 1.11 -1.21 -1.34 0.00 0.00 175.55 174.21 1go0 s GLU 62 N 1.17 3.77 0.06 4.97 2.02 -1.26 -1.24 118.70 128.18 1go0 s GLU 62 Ca 0.17 0.61 -0.31 0.00 0.02 0.00 0.00 54.97 55.47 1go0 s GLU 62 Cb -0.14 -3.88 -0.07 0.00 0.10 0.00 0.00 34.13 30.13 1go0 s GLU 62 CO 0.07 -1.28 1.53 0.12 0.02 0.00 0.00 175.26 175.71 1go0 s PHE 63 N 4.25 2.73 0.32 1.61 5.36 0.65 -4.88 117.98 128.02 1go0 s PHE 63 Ca 0.46 0.59 0.16 0.00 -0.96 0.00 0.00 56.93 57.19 1go0 s PHE 63 Cb -0.08 -3.82 0.79 0.00 -0.34 0.00 0.00 43.02 39.56 1go0 s PHE 63 CO 0.28 -3.17 1.82 1.49 -1.46 0.00 0.00 175.22 174.19 1go0 h GLU 64 N 7.83 0.00 -7.49 10.12 4.57 -1.94 -3.17 114.58 124.51 1go0 h GLU 64 Ca -0.41 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.30 1go0 h GLU 64 Cb 1.19 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 29.87 1go0 h GLU 64 CO 0.91 0.36 0.37 0.20 -1.18 0.00 0.00 179.01 179.67 1go0 s GLY 65 N -4.32 1.62 0.64 1.92 0.00 -1.26 -4.91 107.32 101.02 1go0 s GLY 65 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1go0 s GLY 65 CO 0.70 -0.17 0.91 -1.08 0.00 0.00 0.00 173.10 173.46 1go0 s THR 66 N -3.42 2.42 0.36 0.90 -1.32 -1.26 -3.38 115.64 109.94 1go0 s THR 66 Ca 0.60 -0.52 0.06 0.00 -1.21 0.00 0.00 61.69 60.61 1go0 s THR 66 Cb -0.11 -2.90 0.19 0.00 -1.51 0.00 0.00 72.50 68.18 1go0 s THR 66 CO 0.49 0.00 1.94 0.77 -2.21 0.00 0.00 174.62 175.61 1go0 h SER 67 N -0.30 0.46 0.05 8.08 4.64 -1.81 -0.99 113.55 123.68 1go0 h SER 67 Ca -0.41 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1go0 h SER 67 Cb 1.29 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1go0 h SER 67 CO 0.51 0.47 -0.02 0.58 -0.87 0.00 0.00 176.83 177.50 1go0 h VAL 68 N 0.49 0.97 -0.49 0.95 2.07 -1.88 0.14 116.25 118.50 1go0 h VAL 68 Ca 0.11 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1go0 h VAL 68 Cb 0.21 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1go0 h VAL 68 CO -0.00 0.02 0.28 -0.33 0.02 0.00 0.00 177.57 177.55 1go0 h GLU 69 N -0.10 0.68 -0.82 1.57 5.08 -1.86 -1.06 114.58 118.07 1go0 h GLU 69 Ca -0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1go0 h GLU 69 Cb 0.08 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1go0 h GLU 69 CO 0.01 0.52 0.54 1.25 -1.00 0.00 0.00 179.01 180.34 1go0 h LEU 70 N 0.66 0.94 -0.37 1.33 5.85 -0.95 0.84 115.31 123.60 1go0 h LEU 70 Ca 0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1go0 h LEU 70 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1go0 h LEU 70 CO -0.03 0.67 0.17 1.23 -0.34 0.00 0.00 178.44 180.14 1go0 h GLY 71 N 1.10 0.58 1.02 3.75 0.00 -0.25 -0.77 103.07 108.51 1go0 h GLY 71 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1go0 h GLY 71 CO -0.07 0.28 0.53 -0.84 0.00 0.00 0.00 176.54 176.44 1go0 h THR 72 N 0.46 1.25 -0.51 4.70 2.02 -0.72 0.25 112.91 120.37 1go0 h THR 72 Ca 0.13 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1go0 h THR 72 Cb 0.14 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1go0 h THR 72 CO -0.01 0.27 0.28 0.25 0.37 0.00 0.00 175.52 176.68 1go0 h LEU 73 N 1.26 0.64 -0.11 2.58 5.85 -0.44 -2.97 115.31 122.12 1go0 h LEU 73 Ca 0.32 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1go0 h LEU 73 Cb -0.03 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1go0 h LEU 73 CO -0.06 0.55 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.47 1go0 h LEU 74 N 0.68 0.24 0.00 2.25 3.38 -0.63 -3.48 115.31 117.74 1go0 h LEU 74 Ca 0.18 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1go0 h LEU 74 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1go0 h LEU 74 CO -0.03 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1go0 n GLY 75 N -0.01 4.47 3.72 0.83 0.00 0.85 -5.10 105.19 109.95 1go0 n GLY 75 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 4.32 0.00 1.61 1.70 -1.13 -4.82 118.95 120.63 1go0 s ARG 76 Ca 0.00 2.09 -0.03 0.00 -0.47 0.00 0.00 55.73 57.33 1go0 s ARG 76 Cb 0.00 -3.23 -0.13 0.00 -0.57 0.00 0.00 34.95 31.03 1go0 s ARG 76 CO 0.00 -0.41 2.56 -0.35 -1.08 0.00 0.00 175.30 176.01 1go0 n PRO 77 N 3.67 1.35 -4.06 3.89 -0.04 -1.26 -3.85 135.00 134.70 1go0 n PRO 77 Ca 0.11 -0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 62.96 1go0 n PRO 77 Cb 0.42 -1.52 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.76 0.39 -0.91 0.54 3.76 -1.26 -5.06 115.29 113.52 1go0 s HIS 78 Ca 0.31 -0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.77 1go0 s HIS 78 Cb 0.15 -0.25 -0.07 0.00 1.11 0.00 0.00 32.58 33.52 1go0 s HIS 78 CO 0.00 -0.04 2.04 0.95 -0.85 0.00 0.00 174.74 176.83 1go0 s THR 79 N -0.51 3.37 0.17 1.30 -4.23 -1.26 -4.25 115.64 110.22 1go0 s THR 79 Ca -0.03 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 1go0 s THR 79 Cb -0.04 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.86 1go0 s THR 79 CO -0.00 -0.76 1.28 0.54 -0.54 0.00 0.00 174.62 175.14 1go0 s VAL 80 N 11.18 3.41 -0.03 2.29 0.11 -1.19 -4.87 120.40 131.29 1go0 s VAL 80 Ca 0.74 1.13 -0.22 0.00 -2.93 0.00 0.00 61.98 60.70 1go0 s VAL 80 Cb -0.07 -3.72 -0.27 0.00 -1.53 0.00 0.00 36.38 30.78 1go0 s VAL 80 CO 0.02 0.15 0.99 0.28 -3.33 0.00 0.00 175.10 173.21 1go0 h SER 81 N 5.67 0.44 -5.10 3.54 0.02 -1.88 -3.41 113.55 112.82 1go0 h SER 81 Ca -0.44 -0.86 -0.01 0.00 -0.84 0.00 0.00 61.79 59.64 1go0 h SER 81 Cb 1.21 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.53 1go0 h SER 81 CO 0.78 1.25 0.04 0.00 -1.14 0.00 0.00 176.83 177.76 1go0 s ALA 82 N -2.81 -0.86 -0.10 3.77 0.00 -0.58 -1.25 121.76 119.93 1go0 s ALA 82 Ca -0.14 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1go0 s ALA 82 Cb 0.02 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1go0 s ALA 82 CO 0.81 -0.85 0.25 -0.48 0.00 0.00 0.00 175.76 175.49 1go0 s LEU 83 N -2.91 0.96 -0.25 0.00 0.05 -0.30 -1.98 118.68 114.25 1go0 s LEU 83 Ca 0.12 0.52 -0.07 0.00 0.05 0.00 0.00 54.13 54.74 1go0 s LEU 83 Cb -0.02 0.86 -0.03 0.00 -2.05 0.00 0.00 46.19 44.96 1go0 s LEU 83 CO 0.01 -0.10 0.07 0.00 -0.55 0.00 0.00 176.35 175.79 1go0 s ALA 84 N 0.26 3.17 -0.55 1.48 0.00 0.28 -1.16 121.76 125.23 1go0 s ALA 84 Ca -0.01 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.57 1go0 s ALA 84 Cb -0.03 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.04 1go0 s ALA 84 CO -0.01 -0.51 0.92 0.08 0.00 0.00 0.00 175.76 176.24 1go0 s VAL 85 N 1.61 4.42 -0.13 0.00 1.01 0.17 -0.24 120.40 127.24 1go0 s VAL 85 Ca 0.06 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1go0 s VAL 85 Cb -0.15 -4.53 -0.19 0.00 0.00 0.00 0.00 36.38 31.51 1go0 s VAL 85 CO 0.04 -1.10 0.56 0.58 0.00 0.00 0.00 175.10 175.18 1go0 h VAL 86 N 6.01 1.31 -3.15 2.92 2.07 -1.61 0.16 116.25 123.95 1go0 h VAL 86 Ca -0.26 -1.98 -0.57 0.00 0.82 0.00 0.00 66.70 64.71 1go0 h VAL 86 Cb 1.07 2.47 -0.36 0.00 -1.52 0.00 0.00 31.29 32.95 1go0 h VAL 86 CO 1.08 0.44 -0.82 -1.81 0.02 0.00 0.00 177.57 176.49 1go0 s ASP 87 N -6.04 2.46 0.16 0.57 1.01 -1.24 -3.68 116.67 109.92 1go0 s ASP 87 Ca -0.14 -0.41 0.03 0.00 0.71 0.00 0.00 52.55 52.74 1go0 s ASP 87 Cb -0.02 -1.02 -0.01 0.00 1.01 0.00 0.00 42.92 42.88 1go0 s ASP 87 CO 0.50 -0.09 1.38 1.55 0.21 0.00 0.00 175.17 178.72 1go0 h PRO 88 N 8.11 0.19 0.00 8.23 0.13 -1.87 -3.14 132.00 143.65 1go0 h PRO 88 Ca -0.34 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1go0 h PRO 88 Cb 1.13 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1go0 h PRO 88 CO 0.47 0.95 0.00 0.41 -0.23 0.00 0.00 178.00 179.60 1go0 n GLY 89 N 0.88 1.60 0.13 1.56 0.00 -1.26 -2.81 105.19 105.29 1go0 n GLY 89 Ca -0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1go0 n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1go0 h GLU 90 N 0.00 0.23 -6.52 1.61 5.08 -1.95 -3.46 114.58 109.56 1go0 h GLU 90 Ca 0.00 -0.26 -0.58 0.00 -1.00 0.00 0.00 59.36 57.52 1go0 h GLU 90 Cb 0.00 0.08 0.06 0.00 0.50 0.00 0.00 28.75 29.39 1go0 h GLU 90 CO 0.00 0.99 0.77 0.43 -1.00 0.00 0.00 179.01 180.19 1go0 n SER 91 N -3.66 3.03 -1.84 1.42 7.64 -1.12 -4.85 113.62 114.23 1go0 n SER 91 Ca -0.04 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 60.87 1go0 n SER 91 Cb 0.82 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.51 1go0 n SER 91 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1go0 n ARG 92 N 3.17 1.40 0.03 1.43 1.85 -1.26 -4.41 116.66 118.86 1go0 n ARG 92 Ca 0.16 -0.51 -0.12 0.00 -1.00 0.00 0.00 57.85 56.38 1go0 n ARG 92 Cb 0.29 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1go0 h ILE 93 N 1.68 1.35 0.00 8.89 -0.00 -1.88 -3.05 117.51 124.50 1go0 h ILE 93 Ca 0.10 -2.09 0.00 0.00 -0.00 0.00 0.00 64.86 62.87 1go0 h ILE 93 Cb 1.15 2.07 0.00 0.00 -0.00 0.00 0.00 36.82 40.04 1go0 h ILE 93 CO 0.15 0.64 -0.26 0.17 -0.00 0.00 0.00 178.15 178.85 1go0 h LEU 94 N 0.35 0.00 -0.14 2.19 8.10 -1.93 -3.23 115.31 120.65 1go0 h LEU 94 Ca -0.04 -0.07 0.04 0.00 0.11 0.00 0.00 57.88 57.92 1go0 h LEU 94 Cb 1.33 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.50 1go0 h LEU 94 CO 0.14 0.04 -0.15 0.00 -4.11 0.00 0.00 178.44 174.35 1go0 h ALA 95 N 2.45 -0.07 0.00 0.17 0.00 -1.73 0.22 119.26 120.30 1go0 h ALA 95 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1go0 h ALA 95 Cb 0.78 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1go0 h ALA 95 CO 0.00 -0.60 -0.37 1.47 0.00 0.00 0.00 179.25 179.75 1go0 n LEU 96 N -5.30 0.38 -0.02 0.00 -0.00 -1.26 -3.76 117.00 107.04 1go0 n LEU 96 Ca -0.03 0.14 -0.16 0.00 -0.00 0.00 0.00 56.01 55.96 1go0 n LEU 96 Cb 0.22 -0.31 -0.10 0.00 -0.00 0.00 0.00 43.42 43.23 1go0 n LEU 96 CO 0.21 0.09 0.35 1.23 -0.00 0.00 0.00 177.39 179.27 1go0 h GLY 97 N 4.98 0.48 0.00 1.47 0.00 -1.29 -3.50 103.07 105.22 1go0 h GLY 97 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1go0 h GLY 97 CO 0.00 0.65 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1go0 n GLY 98 N 0.82 -0.78 3.27 4.60 0.00 0.69 -4.26 105.19 109.54 1go0 n GLY 98 Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 0.18 0.00 1.61 2.20 -1.26 -4.38 119.74 117.87 1go0 s LYS 99 Ca 0.00 0.43 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1go0 s LYS 99 Cb 0.00 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1go0 s LYS 99 CO 0.00 -0.09 0.52 0.39 -0.36 0.00 0.00 175.35 175.81