#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spy s ASP 2 N 0.00 5.31 -0.23 6.12 1.01 -1.26 -5.06 116.67 122.57 1spy s ASP 2 Ca 0.00 -0.52 -0.00 0.00 0.71 0.00 0.00 52.55 52.73 1spy s ASP 2 Cb 0.00 -1.94 0.06 0.00 1.01 0.00 0.00 42.92 42.05 1spy s ASP 2 CO 0.00 -0.16 -0.02 -1.81 0.21 0.00 0.00 175.17 173.38 1spy s ASP 3 N 1.57 3.60 -0.00 0.27 1.01 -1.26 -4.94 116.67 116.92 1spy s ASP 3 Ca 0.04 -1.09 0.03 0.00 0.71 0.00 0.00 52.55 52.24 1spy s ASP 3 Cb -0.17 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.71 1spy s ASP 3 CO 0.04 -0.26 0.07 2.30 0.21 0.00 0.00 175.17 177.53 1spy n ILE 4 N 4.78 0.00 -0.13 0.77 -5.35 -1.26 -4.75 119.36 113.43 1spy n ILE 4 Ca -0.11 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 1spy n ILE 4 Cb 0.45 0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 1spy n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1spy h TYR 5 N 0.00 -1.50 -1.20 4.28 0.05 -1.97 0.52 116.97 117.15 1spy h TYR 5 Ca 0.00 0.07 0.34 0.00 0.05 0.00 0.00 58.73 59.20 1spy h TYR 5 Cb 0.12 0.70 -0.09 0.00 1.01 0.00 0.00 36.73 38.47 1spy h TYR 5 CO 0.00 -0.43 0.80 1.57 -1.05 0.00 0.00 178.16 179.06 1spy h LYS 6 N -0.34 0.19 0.00 4.88 2.10 -2.00 1.97 116.57 123.37 1spy h LYS 6 Ca 0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1spy h LYS 6 Cb 0.52 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1spy h LYS 6 CO -0.53 0.12 0.00 0.00 -2.00 0.00 0.00 179.45 177.05 1spy h ALA 7 N 1.53 1.00 -0.81 0.07 0.00 -0.31 -3.19 119.26 117.55 1spy h ALA 7 Ca 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1spy h ALA 7 Cb 2.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1spy h ALA 7 CO -0.23 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.38 1spy h ALA 8 N 2.35 1.12 0.23 0.00 0.00 0.45 -2.99 119.26 120.42 1spy h ALA 8 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1spy h ALA 8 Cb 0.64 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1spy h ALA 8 CO 0.00 0.65 -1.35 0.28 0.00 0.00 0.00 179.25 178.83 1spy h VAL 9 N 1.16 1.31 -0.99 0.00 2.07 -1.60 -3.25 116.25 114.95 1spy h VAL 9 Ca 0.27 -2.65 0.29 0.00 0.82 0.00 0.00 66.70 65.43 1spy h VAL 9 Cb 0.15 3.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 1spy h VAL 9 CO -0.03 0.79 0.80 -0.33 0.02 0.00 0.00 177.57 178.82 1spy h GLU 10 N 0.02 0.00 0.21 1.57 4.39 -1.53 0.23 114.58 119.46 1spy h GLU 10 Ca -0.24 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.13 1spy h GLU 10 Cb 2.05 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.72 1spy h GLU 10 CO 0.24 0.00 -1.55 1.96 -1.16 0.00 0.00 179.01 178.50 1spy h GLN 11 N 0.00 0.44 -6.98 2.33 4.20 -1.56 -3.45 115.11 110.08 1spy h GLN 11 Ca 0.47 -0.75 -0.53 0.00 0.06 0.00 0.00 58.65 57.90 1spy h GLN 11 Cb 2.07 0.28 0.09 0.00 0.30 0.00 0.00 27.48 30.22 1spy h GLN 11 CO -0.00 1.35 0.60 -0.51 -0.67 0.00 0.00 178.83 179.59 1spy s LEU 12 N -7.38 4.10 0.00 1.46 1.43 0.79 -5.02 118.68 114.06 1spy s LEU 12 Ca -0.11 2.64 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1spy s LEU 12 Cb 0.05 -4.03 0.14 0.00 0.03 0.00 0.00 46.19 42.38 1spy s LEU 12 CO 0.90 -1.03 0.94 0.35 0.23 0.00 0.00 176.35 177.75 1spy n THR 13 N -0.23 0.00 0.03 5.49 -2.24 -1.26 -4.97 114.28 111.10 1spy n THR 13 Ca 0.06 -1.37 -0.10 0.00 -2.27 0.00 0.00 64.05 60.37 1spy n THR 13 Cb 0.44 -1.01 0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1spy n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1spy h GLU 14 N 0.00 0.47 -0.38 -0.78 4.81 -1.97 -3.04 114.58 113.69 1spy h GLU 14 Ca -0.31 -0.35 0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1spy h GLU 14 Cb 1.11 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1spy h GLU 14 CO 0.32 0.97 -0.13 1.49 -0.73 0.00 0.00 179.01 180.93 1spy h GLU 15 N 0.34 -0.05 0.00 1.92 4.81 -2.01 0.28 114.58 119.86 1spy h GLU 15 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1spy h GLU 15 Cb 1.23 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1spy h GLU 15 CO 0.12 -0.03 0.00 -0.56 -0.73 0.00 0.00 179.01 177.81 1spy h GLN 16 N -0.05 0.00 0.05 1.92 -0.00 -1.95 -3.18 115.11 111.90 1spy h GLN 16 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1spy h GLN 16 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1spy h GLN 16 CO -0.42 0.00 -0.03 -0.22 -0.00 0.00 0.00 178.83 178.17 1spy h LYS 17 N 0.00 -0.07 -0.49 0.06 3.64 -0.36 -2.83 116.57 116.52 1spy h LYS 17 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1spy h LYS 17 Cb 0.47 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 1spy h LYS 17 CO 0.00 0.54 0.14 -0.97 -2.27 0.00 0.00 179.45 176.89 1spy h ASN 18 N -0.77 0.11 0.26 4.20 -1.24 -1.30 0.10 115.58 116.94 1spy h ASN 18 Ca -0.01 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.08 1spy h ASN 18 Cb 0.63 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.72 1spy h ASN 18 CO 0.01 0.09 -0.39 -0.08 -1.29 0.00 0.00 177.43 175.77 1spy h GLU 19 N 0.30 -0.69 -0.81 6.67 4.81 -1.62 -1.75 114.58 121.49 1spy h GLU 19 Ca 0.24 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 1spy h GLU 19 Cb 0.28 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1spy h GLU 19 CO -0.27 -0.46 0.53 0.74 -0.73 0.00 0.00 179.01 178.82 1spy h PHE 20 N -0.71 0.94 0.44 0.92 0.04 -1.20 -2.73 116.94 114.64 1spy h PHE 20 Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1spy h PHE 20 Cb 0.68 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1spy h PHE 20 CO -0.28 0.52 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.25 1spy h LYS 21 N 0.94 -0.91 0.25 1.51 3.64 0.04 -0.31 116.57 121.74 1spy h LYS 21 Ca 0.34 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1spy h LYS 21 Cb 0.14 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1spy h LYS 21 CO -0.11 -0.60 -0.25 0.00 -2.27 0.00 0.00 179.45 176.21 1spy h ALA 22 N -0.73 -0.95 -0.46 5.00 0.00 -1.17 -0.62 119.26 120.33 1spy h ALA 22 Ca -0.05 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1spy h ALA 22 Cb 0.83 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1spy h ALA 22 CO -0.09 -0.97 0.74 0.00 0.00 0.00 0.00 179.25 178.94 1spy h ALA 23 N -1.33 2.20 -0.29 0.00 0.00 -1.48 -2.10 119.26 116.26 1spy h ALA 23 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1spy h ALA 23 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1spy h ALA 23 CO -0.03 -0.98 0.00 0.34 0.00 0.00 0.00 179.25 178.58 1spy n PHE 24 N -3.22 0.00 -0.35 0.00 7.35 -0.13 -3.85 117.46 117.26 1spy n PHE 24 Ca 0.09 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 57.15 1spy n PHE 24 Cb 0.91 -0.45 0.66 0.00 0.35 0.00 0.00 39.48 40.95 1spy n PHE 24 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1spy h ASP 25 N 0.00 0.00 0.38 -2.13 1.82 -0.90 1.38 116.42 116.97 1spy h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1spy h ASP 25 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1spy h ASP 25 CO 0.00 0.00 0.00 -0.38 -1.61 0.00 0.00 179.24 177.25 1spy n ILE 26 N -3.71 1.19 -2.10 2.25 5.41 -0.82 -2.55 119.36 119.03 1spy n ILE 26 Ca 0.28 0.37 -0.11 0.00 1.00 0.00 0.00 62.75 64.29 1spy n ILE 26 Cb 1.51 -1.25 0.07 0.00 -0.71 0.00 0.00 39.64 39.26 1spy n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1spy n PHE 27 N -1.78 1.62 -0.85 1.39 3.01 0.47 -4.76 117.46 116.56 1spy n PHE 27 Ca 0.02 -1.90 -0.15 0.00 1.01 0.00 0.00 57.45 56.43 1spy n PHE 27 Cb 0.13 -0.28 0.20 0.00 -0.01 0.00 0.00 39.48 39.51 1spy n PHE 27 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1spy n VAL 28 N -0.69 2.78 -1.32 -4.37 0.31 -1.06 -3.89 118.33 110.09 1spy n VAL 28 Ca 0.29 -1.55 -0.32 0.00 -0.01 0.00 0.00 64.34 62.75 1spy n VAL 28 Cb 0.89 -0.49 -0.15 0.00 -0.91 0.00 0.00 33.84 33.18 1spy n VAL 28 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1spy n LEU 29 N -0.59 -0.12 0.00 7.52 0.00 -1.26 -3.92 117.00 118.63 1spy n LEU 29 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.47 1spy n LEU 29 Cb 1.41 -0.73 0.00 0.00 0.00 0.00 0.00 43.42 44.10 1spy n LEU 29 CO 0.47 -0.79 0.00 0.61 0.00 0.00 0.00 177.39 177.68 1spy n GLY 30 N 5.51 1.96 1.41 -3.96 0.00 -1.26 -4.79 105.19 104.06 1spy n GLY 30 Ca 0.59 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1spy n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spy n ALA 31 N 7.91 -2.41 0.27 4.61 0.00 -1.25 -4.00 120.51 125.64 1spy n ALA 31 Ca 0.00 0.59 0.14 0.00 0.00 0.00 0.00 53.44 54.17 1spy n ALA 31 Cb 0.00 -1.42 0.63 0.00 0.00 0.00 0.00 19.45 18.66 1spy n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1spy h GLU 32 N -0.35 0.00 0.00 0.00 4.81 -1.94 -3.45 114.58 113.66 1spy h GLU 32 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1spy h GLU 32 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1spy h GLU 32 CO 0.02 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 177.90 1spy n ASP 33 N -2.95 0.00 -3.44 1.04 5.68 -1.26 -4.99 116.55 110.63 1spy n ASP 33 Ca 0.01 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.89 1spy n ASP 33 Cb 0.59 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.60 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1spy n GLY 34 N 0.00 5.96 3.16 6.12 0.00 -1.26 -4.89 105.19 114.27 1spy n GLY 34 Ca 0.00 -2.54 -0.18 0.00 0.00 0.00 0.00 46.02 43.31 1spy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spy s ILE 36 N -1.30 3.97 -0.08 0.00 -4.36 -0.66 -4.21 121.20 114.56 1spy s ILE 36 Ca -0.03 -1.41 -0.24 0.00 -0.26 0.00 0.00 60.65 58.71 1spy s ILE 36 Cb -0.10 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.30 1spy s ILE 36 CO 0.02 -0.27 0.74 -0.55 0.24 0.00 0.00 174.94 175.12 1spy s SER 37 N -3.91 7.01 0.52 4.36 0.15 -1.25 -1.21 113.70 119.37 1spy s SER 37 Ca 0.37 1.22 0.42 0.00 0.70 0.00 0.00 55.95 58.66 1spy s SER 37 Cb -0.07 -2.43 1.62 0.00 -1.71 0.00 0.00 66.02 63.43 1spy s SER 37 CO 0.25 -0.17 1.63 0.71 1.20 0.00 0.00 173.24 176.87 1spy h THR 38 N 4.83 0.12 0.00 6.45 1.35 -1.13 2.08 112.91 126.61 1spy h THR 38 Ca -0.39 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.39 1spy h THR 38 Cb 1.19 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1spy h THR 38 CO 0.76 0.00 -0.32 0.50 -0.25 0.00 0.00 175.52 176.21 1spy h LYS 39 N 0.03 0.00 0.05 4.72 3.64 -1.91 -3.01 116.57 120.09 1spy h LYS 39 Ca 0.83 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.90 1spy h LYS 39 Cb 3.16 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.94 1spy h LYS 39 CO -0.12 0.32 -1.73 0.93 -2.27 0.00 0.00 179.45 176.59 1spy h GLU 40 N 0.00 0.11 -1.35 1.90 4.39 0.30 -3.34 114.58 116.58 1spy h GLU 40 Ca -0.00 -0.19 0.39 0.00 0.34 0.00 0.00 59.36 59.90 1spy h GLU 40 Cb 0.59 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 1spy h GLU 40 CO 0.04 0.81 1.16 1.25 -1.16 0.00 0.00 179.01 181.10 1spy h LEU 41 N 0.03 0.00 0.54 1.33 5.85 -1.12 0.48 115.31 122.42 1spy h LEU 41 Ca -0.30 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1spy h LEU 41 Cb 2.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.04 1spy h LEU 41 CO 0.10 0.00 -0.26 1.23 -0.34 0.00 0.00 178.44 179.17 1spy h GLY 42 N 0.00 -0.76 0.93 3.75 0.00 -1.68 -0.91 103.07 104.40 1spy h GLY 42 Ca 0.64 0.28 0.14 0.00 0.00 0.00 0.00 47.33 48.40 1spy h GLY 42 CO -0.01 -0.27 0.40 0.50 0.00 0.00 0.00 176.54 177.15 1spy h LYS 43 N -0.91 0.00 0.00 4.80 6.56 -1.16 0.29 116.57 126.14 1spy h LYS 43 Ca -0.07 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.39 1spy h LYS 43 Cb 0.56 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1spy h LYS 43 CO 0.12 0.00 -0.61 0.28 -2.06 0.00 0.00 179.45 177.18 1spy h VAL 44 N 0.00 1.30 0.21 0.50 2.07 -1.12 -2.78 116.25 116.43 1spy h VAL 44 Ca 0.23 -2.20 -0.34 0.00 0.82 0.00 0.00 66.70 65.21 1spy h VAL 44 Cb 1.02 2.23 0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1spy h VAL 44 CO -0.00 0.60 -1.62 0.24 0.02 0.00 0.00 177.57 176.81 1spy h MET 45 N 0.00 0.44 -0.41 1.57 2.86 0.96 -3.16 114.93 117.19 1spy h MET 45 Ca -0.01 -0.75 -0.04 0.00 -2.06 0.00 0.00 59.70 56.84 1spy h MET 45 Cb 1.18 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 1spy h MET 45 CO 0.08 1.36 0.07 0.00 1.06 0.00 0.00 176.91 179.48 1spy h ARG 46 N 0.09 0.61 0.00 1.72 3.08 0.29 0.28 114.38 120.46 1spy h ARG 46 Ca -0.31 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1spy h ARG 46 Cb 2.10 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1spy h ARG 46 CO 0.21 0.59 0.00 0.52 -1.07 0.00 0.00 179.97 180.21 1spy h MET 47 N 0.60 0.00 0.00 0.04 2.86 -1.60 -3.22 114.93 113.60 1spy h MET 47 Ca 0.13 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.43 1spy h MET 47 Cb 0.27 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 1spy h MET 47 CO 0.00 0.00 -2.21 1.28 1.06 0.00 0.00 176.91 177.05 1spy n LEU 48 N -2.81 0.23 0.00 1.22 4.77 -0.65 -5.02 117.00 114.73 1spy n LEU 48 Ca 0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1spy n LEU 48 Cb 0.41 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1spy n LEU 48 CO 0.30 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1spy n GLY 49 N 1.69 0.78 3.65 -0.72 0.00 0.91 -5.10 105.19 106.40 1spy n GLY 49 Ca -0.28 0.06 -0.50 0.00 0.00 0.00 0.00 46.02 45.29 1spy n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spy n GLN 50 N 0.00 1.66 -2.92 1.61 1.13 -0.77 -4.72 117.38 113.38 1spy n GLN 50 Ca 0.00 0.60 -0.23 0.00 -1.94 0.00 0.00 57.00 55.44 1spy n GLN 50 Cb 0.00 -2.33 -0.02 0.00 0.11 0.00 0.00 30.24 28.00 1spy n GLN 50 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1spy n ASN 51 N 3.83 3.20 -3.33 1.08 6.94 -1.26 -1.09 115.26 124.63 1spy n ASN 51 Ca 0.20 -3.41 -0.22 0.00 -0.02 0.00 0.00 54.58 51.13 1spy n ASN 51 Cb 0.23 -0.56 0.17 0.00 -2.36 0.00 0.00 39.78 37.27 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1spy n PRO 52 N -0.11 -1.94 -3.30 -0.53 -0.04 -1.26 -5.05 135.00 122.77 1spy n PRO 52 Ca 0.28 -1.39 -0.19 0.00 -0.04 0.00 0.00 63.50 62.17 1spy n PRO 52 Cb 0.55 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1spy n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1spy s THR 53 N -2.74 3.82 -0.05 0.52 -4.23 -1.26 -5.02 115.64 106.67 1spy s THR 53 Ca 0.54 -0.92 -0.15 0.00 -1.18 0.00 0.00 61.69 59.97 1spy s THR 53 Cb -0.04 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 1spy s THR 53 CO 0.40 -0.14 0.63 1.55 -0.54 0.00 0.00 174.62 176.52 1spy h PRO 54 N 0.75 -0.33 -0.26 3.99 0.13 -2.00 -2.62 132.00 131.66 1spy h PRO 54 Ca -0.45 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1spy h PRO 54 Cb 1.26 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1spy h PRO 54 CO 0.52 -0.07 0.43 0.93 -0.23 0.00 0.00 178.00 179.58 1spy h GLU 55 N -1.02 0.00 0.00 0.86 3.07 -1.98 -1.60 114.58 113.91 1spy h GLU 55 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1spy h GLU 55 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1spy h GLU 55 CO 0.06 0.00 -0.00 0.93 -1.40 0.00 0.00 179.01 178.60 1spy h GLU 56 N 0.00 -0.00 -0.96 2.33 4.39 -1.96 -3.31 114.58 115.06 1spy h GLU 56 Ca 0.12 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.13 1spy h GLU 56 Cb 0.98 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.47 1spy h GLU 56 CO -0.00 0.88 0.31 -0.07 -1.16 0.00 0.00 179.01 178.96 1spy h LEU 57 N -0.99 0.02 0.00 1.33 4.07 -0.89 -3.39 115.31 115.45 1spy h LEU 57 Ca -0.00 0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1spy h LEU 57 Cb 0.88 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1spy h LEU 57 CO 0.00 -0.29 0.00 1.67 -1.08 0.00 0.00 178.44 178.74 1spy n GLN 58 N -5.28 1.35 0.00 1.13 -0.06 -1.17 -3.27 117.38 110.07 1spy n GLN 58 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 1spy n GLN 58 Cb 0.91 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.09 1spy n GLN 58 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1spy n GLU 59 N 0.00 0.00 -0.29 3.69 -0.58 -1.26 -3.28 120.64 118.92 1spy n GLU 59 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 1spy n GLU 59 Cb 0.00 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.09 1spy n GLU 59 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1spy h MET 60 N 0.00 0.11 0.00 3.49 4.05 -1.77 -0.15 114.93 120.66 1spy h MET 60 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1spy h MET 60 Cb 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1spy h MET 60 CO 0.00 0.07 0.00 -0.89 0.23 0.00 0.00 176.91 176.32 1spy n ILE 61 N -5.34 0.00 0.20 1.77 5.41 -1.20 0.10 119.36 120.30 1spy n ILE 61 Ca 0.18 1.24 0.15 0.00 1.00 0.00 0.00 62.75 65.32 1spy n ILE 61 Cb 0.59 -2.04 0.59 0.00 -0.71 0.00 0.00 39.64 38.06 1spy n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1spy h ASP 62 N 0.00 0.00 0.19 4.38 3.58 -1.73 2.46 116.42 125.30 1spy h ASP 62 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1spy h ASP 62 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1spy h ASP 62 CO 0.00 0.00 -0.40 -0.62 -2.88 0.00 0.00 179.24 175.34 1spy n GLU 63 N -3.07 0.76 0.00 0.28 -0.58 -0.10 -4.17 120.64 113.75 1spy n GLU 63 Ca 0.04 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1spy n GLU 63 Cb 0.72 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1spy n GLU 63 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1spy n VAL 64 N -0.67 0.00 -2.87 2.62 3.14 0.53 -4.87 118.33 116.21 1spy n VAL 64 Ca 0.10 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.16 1spy n VAL 64 Cb 0.38 -0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 32.73 1spy n VAL 64 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1spy n ASP 65 N -1.63 5.48 0.23 6.55 2.03 0.71 -4.78 116.55 125.13 1spy n ASP 65 Ca 0.00 -3.67 0.15 0.00 0.52 0.00 0.00 54.79 51.80 1spy n ASP 65 Cb 0.27 -0.80 0.58 0.00 -0.72 0.00 0.00 41.12 40.45 1spy n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1spy h GLU 66 N 3.55 0.00 -0.01 -0.67 4.81 -1.73 -2.67 114.58 117.86 1spy h GLU 66 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1spy h GLU 66 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1spy h GLU 66 CO 0.96 0.00 -0.55 -0.25 -0.73 0.00 0.00 179.01 178.44 1spy n ASP 67 N -2.85 1.84 0.23 1.04 8.00 -1.26 -4.17 116.55 119.37 1spy n ASP 67 Ca 0.01 -1.42 0.13 0.00 0.71 0.00 0.00 54.79 54.22 1spy n ASP 67 Cb 0.31 0.56 0.27 0.00 -0.02 0.00 0.00 41.12 42.25 1spy n ASP 67 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1spy h GLY 68 N 4.76 0.00 -1.84 0.44 0.00 -1.68 -3.47 103.07 101.28 1spy h GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1spy h GLY 68 CO 0.00 0.00 -0.37 -1.26 0.00 0.00 0.00 176.54 174.91 1spy n SER 69 N -3.11 -4.64 0.00 0.19 2.88 -1.25 -2.33 113.62 105.36 1spy n SER 69 Ca 0.03 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1spy n SER 69 Cb 0.49 -3.71 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 1spy n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spy n GLY 70 N -1.04 0.95 3.19 0.46 0.00 -1.26 -5.03 105.19 102.46 1spy n GLY 70 Ca -0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1spy n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1spy s THR 71 N -2.00 0.01 0.32 2.61 -4.23 -0.98 -0.50 115.64 110.86 1spy s THR 71 Ca 0.00 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1spy s THR 71 Cb 0.00 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.37 1spy s THR 71 CO 0.00 -0.03 0.28 0.68 -0.54 0.00 0.00 174.62 175.01 1spy s VAL 72 N -0.01 3.68 0.34 2.29 -7.23 -0.35 -4.39 120.40 114.72 1spy s VAL 72 Ca -0.02 -1.37 0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1spy s VAL 72 Cb -0.03 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 1spy s VAL 72 CO 0.01 -0.20 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.68 1spy s ASP 73 N -3.98 3.72 0.62 4.85 1.11 -1.26 -1.65 116.67 120.09 1spy s ASP 73 Ca 0.40 -1.18 0.24 0.00 0.18 0.00 0.00 52.55 52.19 1spy s ASP 73 Cb -0.06 -0.35 1.17 0.00 1.07 0.00 0.00 42.92 44.75 1spy s ASP 73 CO 0.26 -0.18 1.63 0.15 1.18 0.00 0.00 175.17 178.22 1spy h PHE 74 N 2.05 0.00 0.12 4.23 3.57 -2.00 0.72 116.94 125.61 1spy h PHE 74 Ca -0.42 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.81 1spy h PHE 74 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1spy h PHE 74 CO 0.77 0.00 -1.24 0.22 -2.23 0.00 0.00 178.31 175.83 1spy h ASP 75 N 0.00 0.38 0.00 0.41 3.58 -1.95 -3.26 116.42 115.58 1spy h ASP 75 Ca 0.20 -0.41 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1spy h ASP 75 Cb 1.59 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 1spy h ASP 75 CO -0.00 1.33 -0.32 -0.33 -2.88 0.00 0.00 179.24 177.04 1spy h GLU 76 N 0.07 0.00 -0.83 0.28 4.39 0.01 -3.34 114.58 115.16 1spy h GLU 76 Ca -0.13 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.69 1spy h GLU 76 Cb 1.96 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.47 1spy h GLU 76 CO 0.19 0.54 -0.41 0.35 -1.16 0.00 0.00 179.01 178.52 1spy h PHE 77 N -1.00 -1.18 -0.78 4.33 3.57 -1.30 0.27 116.94 120.84 1spy h PHE 77 Ca -0.07 0.10 0.16 0.00 3.53 0.00 0.00 57.97 61.69 1spy h PHE 77 Cb 0.67 0.64 -0.15 0.00 2.79 0.00 0.00 35.95 39.91 1spy h PHE 77 CO 0.08 -0.40 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.54 1spy h LEU 78 N -0.08 -0.65 -0.36 0.59 3.38 -1.72 0.27 115.31 116.72 1spy h LEU 78 Ca 0.27 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 1spy h LEU 78 Cb 0.56 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1spy h LEU 78 CO -0.86 -0.25 0.08 0.58 0.09 0.00 0.00 178.44 178.09 1spy h VAL 79 N 0.02 1.23 -0.58 1.22 2.07 -0.66 -2.00 116.25 117.54 1spy h VAL 79 Ca 0.39 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1spy h VAL 79 Cb 0.61 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1spy h VAL 79 CO -0.78 0.26 0.38 0.24 0.02 0.00 0.00 177.57 177.70 1spy h MET 80 N 0.44 0.75 0.24 1.57 2.86 0.74 -0.17 114.93 121.37 1spy h MET 80 Ca 0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1spy h MET 80 Cb 0.31 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1spy h MET 80 CO 0.00 0.50 -0.12 0.52 1.06 0.00 0.00 176.91 178.87 1spy h MET 81 N 0.78 -0.32 0.00 1.72 2.07 -0.29 -2.69 114.93 116.20 1spy h MET 81 Ca 0.21 0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.86 1spy h MET 81 Cb -0.08 0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1spy h MET 81 CO -0.05 0.04 -0.00 -0.39 1.07 0.00 0.00 176.91 177.58 1spy h VAL 82 N -0.79 0.02 -0.00 -2.22 -1.51 -1.20 -0.71 116.25 109.84 1spy h VAL 82 Ca -0.03 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1spy h VAL 82 Cb 0.51 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1spy h VAL 82 CO 0.06 0.00 -0.24 -1.14 -1.23 0.00 0.00 177.57 175.02 1spy n ARG 83 N -3.11 0.22 -0.17 5.19 0.63 -0.09 -3.76 116.66 115.57 1spy n ARG 83 Ca -0.02 -0.09 0.06 0.00 -0.92 0.00 0.00 57.85 56.89 1spy n ARG 83 Cb 0.16 -1.50 0.09 0.00 0.45 0.00 0.00 32.46 31.66 1spy n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1spy s MET 85 N -1.91 1.77 -0.40 0.00 0.23 -0.90 -5.04 119.30 113.04 1spy s MET 85 Ca 0.20 -0.63 0.11 0.00 -1.03 0.00 0.00 55.69 54.35 1spy s MET 85 Cb 0.18 -2.20 0.41 0.00 -1.53 0.00 0.00 34.83 31.69 1spy s MET 85 CO 0.02 -1.47 0.95 1.63 -2.03 0.00 0.00 175.02 174.12 1spy n LYS 86 N -2.99 2.03 -3.24 3.16 5.02 -1.26 -4.97 118.16 115.91 1spy n LYS 86 Ca 0.12 -3.85 -0.08 0.00 -2.02 0.00 0.00 58.31 52.48 1spy n LYS 86 Cb 0.60 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1spy n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1spy n ASP 87 N -0.14 -7.01 -4.83 4.39 9.92 -1.26 -4.96 116.55 112.66 1spy n ASP 87 Ca 0.23 -0.37 -0.32 0.00 -0.53 0.00 0.00 54.79 53.81 1spy n ASP 87 Cb 0.69 -4.63 0.02 0.00 -0.64 0.00 0.00 41.12 36.56 1spy n ASP 87 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1spy s ASP 88 N -3.10 5.82 0.00 -2.24 -1.08 -1.26 -5.33 116.67 109.48 1spy s ASP 88 Ca 0.11 1.61 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 1spy s ASP 88 Cb -0.02 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1spy s ASP 88 CO 0.78 -1.15 0.22 -0.24 0.52 0.00 0.00 175.17 175.31