#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 3.99 0.41 3.17 1.11 -1.26 -5.13 116.67 118.97 1spy s ASP 2 Ca 0.00 -0.24 0.02 0.00 0.18 0.00 0.00 52.55 52.51 1spy s ASP 2 Cb 0.00 -0.80 -0.01 0.00 1.07 0.00 0.00 42.92 43.18 1spy s ASP 2 CO 0.00 0.33 0.61 1.51 1.18 0.00 0.00 175.17 178.79 1spy s ASP 3 N -0.89 5.89 -0.01 0.27 -4.77 -1.26 -5.02 116.67 110.88 1spy s ASP 3 Ca 0.12 0.17 0.09 0.00 -3.30 0.00 0.00 52.55 49.63 1spy s ASP 3 Cb -0.11 -1.48 -0.13 0.00 -1.09 0.00 0.00 42.92 40.11 1spy s ASP 3 CO 0.02 -0.60 0.23 2.30 0.70 0.00 0.00 175.17 177.81 1spy n ILE 4 N -1.94 0.00 0.16 2.11 -6.64 -1.26 -4.52 119.36 107.27 1spy n ILE 4 Ca 0.01 -0.22 0.02 0.00 -1.77 0.00 0.00 62.75 60.79 1spy n ILE 4 Cb 0.58 0.43 0.26 0.00 -1.44 0.00 0.00 39.64 39.46 1spy n ILE 4 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 1spy h TYR 5 N 0.00 0.00 -1.28 4.28 0.05 -2.01 -3.03 116.97 114.98 1spy h TYR 5 Ca 0.00 0.00 0.37 0.00 0.05 0.00 0.00 58.73 59.15 1spy h TYR 5 Cb 0.37 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.06 1spy h TYR 5 CO 0.00 0.49 1.03 -0.22 -1.05 0.00 0.00 178.16 178.41 1spy h LYS 6 N 0.00 0.00 0.00 4.88 1.63 -2.01 1.81 116.57 122.87 1spy h LYS 6 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 1spy h LYS 6 Cb 0.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1spy h LYS 6 CO 0.06 0.00 -0.73 0.00 -3.45 0.00 0.00 179.45 175.33 1spy h ALA 7 N 1.14 0.62 -0.91 5.00 0.00 -1.86 -3.20 119.26 120.05 1spy h ALA 7 Ca 0.61 -0.67 0.22 0.00 0.00 0.00 0.00 54.91 55.07 1spy h ALA 7 Cb 2.67 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 20.21 1spy h ALA 7 CO -0.01 0.92 0.43 0.00 0.00 0.00 0.00 179.25 180.59 1spy h ALA 8 N 1.27 1.49 0.07 0.00 0.00 0.26 0.76 119.26 123.12 1spy h ALA 8 Ca -0.01 0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 1spy h ALA 8 Cb 1.44 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1spy h ALA 8 CO 0.10 -0.33 -1.25 0.28 0.00 0.00 0.00 179.25 178.04 1spy h VAL 9 N 0.43 1.46 -0.78 0.00 2.07 -1.63 -3.19 116.25 114.59 1spy h VAL 9 Ca 0.57 -3.11 0.20 0.00 0.82 0.00 0.00 66.70 65.19 1spy h VAL 9 Cb 1.09 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 1spy h VAL 9 CO -0.52 0.88 0.54 -0.08 0.02 0.00 0.00 177.57 178.41 1spy h GLU 10 N 0.04 0.18 0.20 1.57 4.57 -0.86 -0.99 114.58 119.31 1spy h GLU 10 Ca -0.13 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.70 1spy h GLU 10 Cb 1.92 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 30.48 1spy h GLU 10 CO 0.16 0.12 -1.63 1.96 -1.18 0.00 0.00 179.01 178.44 1spy h GLN 11 N 0.19 0.43 -6.93 1.92 7.50 -1.49 -3.45 115.11 113.28 1spy h GLN 11 Ca 0.39 -0.74 -0.54 0.00 0.50 0.00 0.00 58.65 58.26 1spy h GLN 11 Cb 1.23 0.28 0.10 0.00 0.05 0.00 0.00 27.48 29.14 1spy h GLN 11 CO -0.07 1.34 0.75 -0.51 -1.50 0.00 0.00 178.83 178.84 1spy s LEU 12 N -7.37 4.34 0.00 1.46 1.43 -0.38 -5.01 118.68 113.15 1spy s LEU 12 Ca -0.13 2.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.98 1spy s LEU 12 Cb 0.05 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1spy s LEU 12 CO 0.89 -0.81 0.24 0.35 0.23 0.00 0.00 176.35 177.25 1spy n THR 13 N 0.56 0.00 -0.17 5.49 -2.24 -1.26 -4.87 114.28 111.78 1spy n THR 13 Ca 0.01 -0.94 -0.05 0.00 -2.27 0.00 0.00 64.05 60.81 1spy n THR 13 Cb 0.40 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.54 -0.59 -0.78 4.57 -1.98 0.14 114.58 116.48 1spy h GLU 14 Ca -0.14 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1spy h GLU 14 Cb 0.56 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1spy h GLU 14 CO 0.22 0.36 0.14 0.93 -1.18 0.00 0.00 179.01 179.48 1spy h GLU 15 N 0.56 0.93 -0.06 1.92 3.07 -1.98 0.47 114.58 119.49 1spy h GLU 15 Ca 0.22 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.74 1spy h GLU 15 Cb 0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1spy h GLU 15 CO -0.13 0.84 -0.59 1.96 -1.40 0.00 0.00 179.01 179.68 1spy h GLN 16 N 0.89 0.21 0.03 2.33 1.08 -1.74 -1.21 115.11 116.70 1spy h GLN 16 Ca 0.19 -0.14 -0.26 0.00 -1.45 0.00 0.00 58.65 56.99 1spy h GLN 16 Cb 0.33 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1spy h GLN 16 CO 0.00 0.74 -1.32 0.87 -0.95 0.00 0.00 178.83 178.17 1spy h LYS 17 N 0.16 0.06 0.02 1.46 1.57 -0.33 -3.31 116.57 116.19 1spy h LYS 17 Ca -0.01 -0.10 -0.27 0.00 -1.87 0.00 0.00 60.65 58.40 1spy h LYS 17 Cb 1.09 0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.46 1spy h LYS 17 CO 0.09 0.88 -1.08 -0.97 -0.57 0.00 0.00 179.45 177.80 1spy h ASN 18 N 0.02 0.90 -0.06 0.86 -1.24 -0.03 -3.02 115.58 113.00 1spy h ASN 18 Ca -0.14 -0.74 0.02 0.00 0.71 0.00 0.00 56.30 56.15 1spy h ASN 18 Cb 1.90 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 40.67 1spy h ASN 18 CO 0.12 1.54 0.05 1.05 -1.29 0.00 0.00 177.43 178.91 1spy h GLU 19 N 0.37 0.00 0.24 6.67 -0.00 -1.34 -2.17 114.58 118.34 1spy h GLU 19 Ca -0.14 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.88 1spy h GLU 19 Cb 1.74 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 30.52 1spy h GLU 19 CO 0.21 0.00 -1.53 0.74 -0.00 0.00 0.00 179.01 178.43 1spy h PHE 20 N 0.00 0.91 -0.83 2.06 0.04 -1.63 -3.27 116.94 114.22 1spy h PHE 20 Ca 0.03 -0.67 0.03 0.00 2.80 0.00 0.00 57.97 60.16 1spy h PHE 20 Cb 0.14 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1spy h PHE 20 CO 0.00 1.58 0.53 -0.22 -0.60 0.00 0.00 178.31 179.59 1spy h LYS 21 N 0.14 1.00 0.00 1.51 3.11 -1.27 0.65 116.57 121.70 1spy h LYS 21 Ca -0.27 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.48 1spy h LYS 21 Cb 2.15 -0.23 -0.00 0.00 -1.00 0.00 0.00 32.23 33.15 1spy h LYS 21 CO 0.25 0.66 -0.12 0.00 -2.81 0.00 0.00 179.45 177.44 1spy h ALA 22 N 1.35 1.34 -0.01 5.00 0.00 -1.59 0.29 119.26 125.63 1spy h ALA 22 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1spy h ALA 22 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1spy h ALA 22 CO -0.12 0.15 -0.53 0.00 0.00 0.00 0.00 179.25 178.75 1spy n ALA 23 N -2.31 3.64 -0.08 0.00 0.00 -0.35 -4.36 120.51 117.06 1spy n ALA 23 Ca -0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1spy n ALA 23 Cb 0.23 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 1spy n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1spy n PHE 24 N -0.51 0.00 0.22 0.00 -0.00 0.21 -4.45 117.46 112.93 1spy n PHE 24 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.59 1spy n PHE 24 Cb 0.35 -0.59 0.40 0.00 -0.00 0.00 0.00 39.48 39.64 1spy n PHE 24 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1spy n ASP 25 N -3.18 0.39 0.13 -2.13 -0.08 0.97 -1.47 116.55 111.18 1spy n ASP 25 Ca -0.29 0.65 0.13 0.00 -1.51 0.00 0.00 54.79 53.77 1spy n ASP 25 Cb 0.77 -0.71 0.44 0.00 2.34 0.00 0.00 41.12 43.96 1spy n ASP 25 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1spy h ILE 26 N 0.00 0.00 -0.49 5.18 2.04 -1.76 -3.24 117.51 119.23 1spy h ILE 26 Ca 0.00 -0.41 -0.36 0.00 1.00 0.00 0.00 64.86 65.10 1spy h ILE 26 Cb 0.12 1.31 -0.35 0.00 -0.74 0.00 0.00 36.82 37.15 1spy h ILE 26 CO 0.00 0.00 -0.87 0.49 0.00 0.00 0.00 178.15 177.77 1spy n PHE 27 N -2.32 1.73 -1.14 1.37 3.72 -0.54 -4.77 117.46 115.51 1spy n PHE 27 Ca 0.04 -1.96 -0.08 0.00 -0.05 0.00 0.00 57.45 55.41 1spy n PHE 27 Cb 0.36 -0.28 0.26 0.00 -0.94 0.00 0.00 39.48 38.88 1spy n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1spy n VAL 28 N -0.65 2.87 -1.52 -4.37 0.31 -1.23 -4.43 118.33 109.32 1spy n VAL 28 Ca 0.27 -1.88 -0.33 0.00 -0.01 0.00 0.00 64.34 62.39 1spy n VAL 28 Cb 0.90 -0.36 -0.14 0.00 -0.91 0.00 0.00 33.84 33.33 1spy n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spy n LEU 29 N -0.52 0.43 0.00 7.52 -0.00 -1.26 -4.32 117.00 118.84 1spy n LEU 29 Ca 0.41 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1spy n LEU 29 Cb 1.34 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1spy n LEU 29 CO 0.41 -1.24 0.00 0.61 -0.00 0.00 0.00 177.39 177.16 1spy n GLY 30 N 6.20 1.96 3.21 1.47 0.00 -1.26 -4.90 105.19 111.88 1spy n GLY 30 Ca 0.59 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 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 9.67 -2.51 0.00 4.61 0.00 -1.26 -3.39 120.51 127.63 1spy n ALA 31 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1spy n ALA 31 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 15.96 1spy n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1spy n GLU 32 N -2.60 0.00 0.00 0.00 2.13 -1.26 -3.44 120.64 115.47 1spy n GLU 32 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1spy n GLU 32 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1spy n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1spy n ASP 33 N 1.31 0.00 -1.05 4.31 9.92 -1.22 -4.98 116.55 124.85 1spy n ASP 33 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1spy n ASP 33 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1spy n GLY 34 N 0.00 0.55 3.23 0.44 0.00 -1.24 -5.02 105.19 103.15 1spy n GLY 34 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.89 1.39 0.72 0.00 -4.36 -0.56 -4.35 121.20 110.16 1spy s ILE 36 Ca 0.31 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.55 1spy s ILE 36 Cb 0.07 -2.67 0.04 0.00 1.25 0.00 0.00 42.46 41.14 1spy s ILE 36 CO 0.08 -0.12 1.10 -0.55 0.24 0.00 0.00 174.94 175.69 1spy s SER 37 N -3.48 5.14 0.26 4.36 0.15 -1.26 -1.63 113.70 117.23 1spy s SER 37 Ca 0.34 0.94 0.12 0.00 0.70 0.00 0.00 55.95 58.04 1spy s SER 37 Cb 0.07 -1.65 0.27 0.00 -1.71 0.00 0.00 66.02 63.00 1spy s SER 37 CO 0.14 -1.50 1.55 0.71 1.20 0.00 0.00 173.24 175.34 1spy h THR 38 N -0.72 1.32 -0.00 6.45 1.35 -1.83 -2.76 112.91 116.72 1spy h THR 38 Ca -0.45 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1spy h THR 38 Cb 1.28 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1spy h THR 38 CO 0.64 0.63 -0.08 0.29 -0.25 0.00 0.00 175.52 176.75 1spy n LYS 39 N -3.58 0.47 -0.12 4.72 4.76 -1.26 -3.80 118.16 119.34 1spy n LYS 39 Ca -0.00 -0.10 -0.18 0.00 -2.87 0.00 0.00 58.31 55.16 1spy n LYS 39 Cb 0.68 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.25 1spy n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1spy n GLU 40 N -1.18 0.66 0.25 1.97 1.02 -1.10 -4.22 120.64 118.03 1spy n GLU 40 Ca 0.13 0.15 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 1spy n GLU 40 Cb 0.27 -1.53 0.82 0.00 -0.02 0.00 0.00 31.44 30.98 1spy n GLU 40 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1spy h LEU 41 N 0.00 0.00 0.10 -4.62 8.10 -1.59 -2.97 115.31 114.33 1spy h LEU 41 Ca -0.57 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.42 1spy h LEU 41 Cb 1.91 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.14 1spy h LEU 41 CO -0.08 0.00 -0.05 1.23 -4.11 0.00 0.00 178.44 175.43 1spy h GLY 42 N 0.00 -0.14 0.31 0.17 0.00 -1.73 -1.86 103.07 99.81 1spy h GLY 42 Ca 0.00 0.05 0.22 0.00 0.00 0.00 0.00 47.33 47.61 1spy h GLY 42 CO 0.00 -0.05 0.60 0.07 0.00 0.00 0.00 176.54 177.16 1spy h LYS 43 N -0.14 0.20 -0.65 4.80 2.10 -1.77 0.23 116.57 121.33 1spy h LYS 43 Ca -0.01 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1spy h LYS 43 Cb 0.10 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 1spy h LYS 43 CO 0.02 0.13 0.33 0.28 -2.00 0.00 0.00 179.45 178.22 1spy h VAL 44 N 0.20 1.20 0.00 0.07 2.07 -1.42 -0.86 116.25 117.52 1spy h VAL 44 Ca 0.44 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1spy h VAL 44 Cb 1.39 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1spy h VAL 44 CO -0.10 0.23 0.00 0.24 0.02 0.00 0.00 177.57 177.97 1spy h MET 45 N 0.91 0.00 0.00 1.57 2.86 0.30 -2.84 114.93 117.73 1spy h MET 45 Ca 0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.68 1spy h MET 45 Cb 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1spy h MET 45 CO -0.03 0.00 -0.97 0.00 1.06 0.00 0.00 176.91 176.97 1spy h ARG 46 N 0.00 0.00 0.00 1.72 2.47 -0.99 -2.33 114.38 115.25 1spy h ARG 46 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1spy h ARG 46 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1spy h ARG 46 CO 0.00 0.77 -0.25 0.52 0.56 0.00 0.00 179.97 181.57 1spy h MET 47 N 0.00 0.00 -0.01 0.04 2.86 -1.19 -1.86 114.93 114.77 1spy h MET 47 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1spy h MET 47 Cb 1.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1spy h MET 47 CO 0.10 0.25 -0.26 1.28 1.06 0.00 0.00 176.91 179.34 1spy n LEU 48 N -4.07 0.80 0.00 1.22 4.32 -1.23 -4.94 117.00 113.11 1spy n LEU 48 Ca -0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1spy n LEU 48 Cb 0.31 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1spy n LEU 48 CO 0.36 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1spy n GLY 49 N 1.36 3.23 3.46 -0.72 0.00 -0.70 -5.08 105.19 106.75 1spy n GLY 49 Ca 0.11 -1.05 -0.49 0.00 0.00 0.00 0.00 46.02 44.59 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 0.35 -2.97 1.61 1.13 -0.88 -4.83 117.38 111.79 1spy n GLN 50 Ca 0.00 0.12 -0.14 0.00 -1.94 0.00 0.00 57.00 55.04 1spy n GLN 50 Cb 0.00 -1.30 0.01 0.00 0.11 0.00 0.00 30.24 29.06 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 1.80 0.10 -3.28 1.08 6.94 -1.26 -3.34 115.26 117.31 1spy n ASN 51 Ca 0.17 -3.07 0.00 0.00 -0.02 0.00 0.00 54.58 51.66 1spy n ASN 51 Cb 0.24 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 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 0.18 0.78 -3.75 -0.53 -0.04 -1.26 -5.07 135.00 125.31 1spy n PRO 52 Ca 0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.39 1spy n PRO 52 Cb 0.71 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.12 2.15 0.20 0.52 -4.23 -1.26 -5.02 115.64 107.88 1spy s THR 53 Ca 0.00 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1spy s THR 53 Cb 0.00 -2.58 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 1spy s THR 53 CO 0.00 0.00 1.49 1.55 -0.54 0.00 0.00 174.62 177.12 1spy h PRO 54 N 0.91 0.35 0.00 3.99 0.13 -2.02 -2.95 132.00 132.42 1spy h PRO 54 Ca -0.39 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1spy h PRO 54 Cb 1.28 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1spy h PRO 54 CO 0.58 0.89 0.00 -1.91 -0.23 0.00 0.00 178.00 177.33 1spy n GLU 55 N -3.85 0.19 0.07 0.86 4.07 -1.26 -3.29 120.64 117.42 1spy n GLU 55 Ca -0.03 0.18 -0.10 0.00 -0.06 0.00 0.00 57.16 57.14 1spy n GLU 55 Cb 0.67 -1.73 -0.13 0.00 -0.06 0.00 0.00 31.44 30.19 1spy n GLU 55 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1spy h GLU 56 N 0.00 0.09 -0.16 5.31 5.08 -1.92 -3.20 114.58 119.79 1spy h GLU 56 Ca 0.00 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1spy h GLU 56 Cb 0.64 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1spy h GLU 56 CO 0.00 1.06 -0.63 -0.07 -1.00 0.00 0.00 179.01 178.37 1spy h LEU 57 N 0.03 0.65 -1.52 1.33 3.38 -1.54 -2.91 115.31 114.72 1spy h LEU 57 Ca -0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1spy h LEU 57 Cb 1.85 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1spy h LEU 57 CO 0.15 1.12 0.00 -0.61 0.09 0.00 0.00 178.44 179.19 1spy h GLN 58 N 0.42 0.00 0.00 1.13 5.75 -1.63 -0.33 115.11 120.44 1spy h GLN 58 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1spy h GLN 58 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1spy h GLN 58 CO 0.12 0.00 0.00 0.93 -2.65 0.00 0.00 178.83 177.23 1spy h GLU 59 N 0.00 0.00 0.00 1.69 5.08 -1.50 -3.07 114.58 116.78 1spy h GLU 59 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1spy h GLU 59 Cb 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1spy h GLU 59 CO 0.00 0.00 -1.92 -1.33 -1.00 0.00 0.00 179.01 174.76 1spy n MET 60 N -2.64 0.40 -0.20 2.33 2.81 -0.91 -4.06 117.12 114.85 1spy n MET 60 Ca 0.05 0.10 -0.07 0.00 -1.81 0.00 0.00 57.70 55.97 1spy n MET 60 Cb 0.46 -1.29 0.03 0.00 -0.71 0.00 0.00 33.22 31.71 1spy n MET 60 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1spy h ILE 61 N -0.10 1.20 0.00 2.02 2.04 -1.21 0.14 117.51 121.60 1spy h ILE 61 Ca -0.37 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1spy h ILE 61 Cb 1.53 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1spy h ILE 61 CO -0.09 0.22 -0.48 -2.24 0.00 0.00 0.00 178.15 175.56 1spy h ASP 62 N 0.76 0.00 0.05 1.72 2.03 -1.76 0.89 116.42 120.11 1spy h ASP 62 Ca 0.20 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.30 1spy h ASP 62 Cb 0.09 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.61 1spy h ASP 62 CO -0.03 0.48 -0.81 -0.33 -1.03 0.00 0.00 179.24 177.52 1spy h GLU 63 N 0.00 0.46 0.16 4.15 5.08 -1.57 -3.30 114.58 119.56 1spy h GLU 63 Ca -0.00 -0.56 -0.31 0.00 -1.00 0.00 0.00 59.36 57.49 1spy h GLU 63 Cb 0.87 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1spy h GLU 63 CO 0.06 1.21 -1.52 -0.24 -1.00 0.00 0.00 179.01 177.52 1spy h VAL 64 N -0.03 1.05 -0.35 3.13 3.04 -0.70 -3.35 116.25 119.04 1spy h VAL 64 Ca -0.12 -2.48 -0.29 0.00 -1.01 0.00 0.00 66.70 62.80 1spy h VAL 64 Cb 1.53 2.81 -0.10 0.00 -2.01 0.00 0.00 31.29 33.51 1spy h VAL 64 CO 0.16 0.78 -0.12 -0.67 -1.01 0.00 0.00 177.57 176.71 1spy n ASP 65 N -3.78 5.65 -0.35 3.17 2.03 0.31 -4.62 116.55 118.96 1spy n ASP 65 Ca -0.23 -2.72 0.36 0.00 0.52 0.00 0.00 54.79 52.71 1spy n ASP 65 Cb 0.99 -1.35 0.74 0.00 -0.72 0.00 0.00 41.12 40.78 1spy n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1spy h GLU 66 N 2.95 0.02 -1.19 -0.67 5.08 -1.70 0.16 114.58 119.23 1spy h GLU 66 Ca 0.25 -0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.96 1spy h GLU 66 Cb 1.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1spy h GLU 66 CO 0.44 0.02 0.98 -0.44 -1.00 0.00 0.00 179.01 179.01 1spy h ASP 67 N 0.03 0.00 -0.24 1.42 5.19 -1.90 -3.43 116.42 117.47 1spy h ASP 67 Ca 0.59 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.90 1spy h ASP 67 Cb 2.31 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.78 1spy h ASP 67 CO -0.03 0.00 -0.10 0.61 -3.12 0.00 0.00 179.24 176.60 1spy n GLY 68 N -1.75 0.78 0.21 2.75 0.00 0.55 -4.91 105.19 102.82 1spy n GLY 68 Ca 0.26 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 1spy n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1spy h SER 69 N 0.00 0.85 0.00 1.61 0.02 -1.85 -3.47 113.55 110.71 1spy h SER 69 Ca -0.11 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1spy h SER 69 Cb 0.36 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1spy h SER 69 CO 0.15 1.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.80 1spy n GLY 70 N 0.70 1.05 3.17 -3.77 0.00 -1.26 -5.09 105.19 100.00 1spy n GLY 70 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.04 0.15 2.61 -4.23 -1.26 -2.33 115.64 108.62 1spy s THR 71 Ca 0.00 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 1spy s THR 71 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1spy s THR 71 CO 0.00 -0.19 0.03 0.68 -0.54 0.00 0.00 174.62 174.60 1spy s VAL 72 N -0.77 3.94 0.56 2.29 -7.23 -0.65 -4.93 120.40 113.62 1spy s VAL 72 Ca -0.09 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1spy s VAL 72 Cb -0.05 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 33.98 1spy s VAL 72 CO 0.02 -0.05 0.43 -1.81 -0.31 0.00 0.00 175.10 173.38 1spy s ASP 73 N -2.82 4.64 0.25 4.85 1.11 -1.26 -1.50 116.67 121.94 1spy s ASP 73 Ca 0.28 -1.26 0.18 0.00 0.18 0.00 0.00 52.55 51.93 1spy s ASP 73 Cb -0.10 0.48 0.94 0.00 1.07 0.00 0.00 42.92 45.31 1spy s ASP 73 CO 0.19 -1.15 1.55 0.33 1.18 0.00 0.00 175.17 177.27 1spy n PHE 74 N -1.81 0.60 0.02 4.23 -0.00 -1.26 -1.09 117.46 118.15 1spy n PHE 74 Ca -0.01 0.30 -0.15 0.00 -0.00 0.00 0.00 57.45 57.59 1spy n PHE 74 Cb 0.64 -0.98 -0.14 0.00 -0.00 0.00 0.00 39.48 39.00 1spy n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1spy h ASP 75 N 0.00 0.25 0.00 -2.13 3.32 -1.94 -3.27 116.42 112.66 1spy h ASP 75 Ca 0.00 -0.45 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 1spy h ASP 75 Cb 0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1spy h ASP 75 CO 0.00 1.39 -0.98 -0.33 -1.72 0.00 0.00 179.24 177.60 1spy h GLU 76 N 0.04 0.00 0.00 3.56 5.08 -1.65 -3.17 114.58 118.44 1spy h GLU 76 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1spy h GLU 76 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1spy h GLU 76 CO 0.11 0.92 0.00 0.34 -1.00 0.00 0.00 179.01 179.38 1spy n PHE 77 N -4.48 0.00 -0.05 4.33 7.35 -0.25 -1.75 117.46 122.60 1spy n PHE 77 Ca -0.26 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.22 1spy n PHE 77 Cb 0.61 -0.48 -0.13 0.00 0.35 0.00 0.00 39.48 39.83 1spy n PHE 77 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1spy n LEU 78 N -1.48 2.73 -0.04 -2.13 7.94 -1.23 -4.06 117.00 118.72 1spy n LEU 78 Ca 0.01 0.08 -0.15 0.00 -1.11 0.00 0.00 56.01 54.85 1spy n LEU 78 Cb 0.05 -1.03 -0.08 0.00 0.53 0.00 0.00 43.42 42.90 1spy n LEU 78 CO 0.04 0.86 0.44 0.58 -1.11 0.00 0.00 177.39 178.20 1spy h VAL 79 N -0.02 1.36 -0.81 1.96 2.07 -1.41 -2.76 116.25 116.64 1spy h VAL 79 Ca -0.49 -1.69 0.20 0.00 0.82 0.00 0.00 66.70 65.54 1spy h VAL 79 Cb 1.95 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 33.73 1spy h VAL 79 CO -0.01 0.51 0.56 0.24 0.02 0.00 0.00 177.57 178.89 1spy h MET 80 N 0.14 0.24 0.14 1.57 2.86 -1.55 -0.35 114.93 117.97 1spy h MET 80 Ca -0.01 -0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.33 1spy h MET 80 Cb 1.02 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.65 1spy h MET 80 CO 0.09 0.16 -1.26 0.52 1.06 0.00 0.00 176.91 177.47 1spy h MET 81 N 0.25 0.43 0.00 1.72 2.07 -1.68 -3.16 114.93 114.55 1spy h MET 81 Ca 0.41 -0.65 0.00 0.00 -2.07 0.00 0.00 59.70 57.39 1spy h MET 81 Cb 1.21 0.23 0.00 0.00 -1.87 0.00 0.00 31.60 31.17 1spy h MET 81 CO -0.10 1.29 0.00 -0.24 1.07 0.00 0.00 176.91 178.93 1spy h VAL 82 N 0.15 0.00 0.13 -2.22 3.04 -0.77 -2.28 116.25 114.31 1spy h VAL 82 Ca -0.17 -0.07 -0.35 0.00 -1.01 0.00 0.00 66.70 65.10 1spy h VAL 82 Cb 1.95 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 1spy h VAL 82 CO 0.22 0.00 -1.85 -0.09 -1.01 0.00 0.00 177.57 174.84 1spy h ARG 83 N 0.00 0.28 -1.24 4.17 9.65 -1.46 -3.34 114.38 122.43 1spy h ARG 83 Ca 0.00 -0.47 -0.25 0.00 -1.10 0.00 0.00 59.98 58.16 1spy h ARG 83 Cb 0.08 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 28.71 1spy h ARG 83 CO 0.00 1.16 0.32 0.00 2.80 0.00 0.00 179.97 184.25 1spy h MET 85 N 0.84 0.52 0.00 0.00 2.86 -1.67 -3.48 114.93 114.01 1spy h MET 85 Ca 0.26 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1spy h MET 85 Cb 1.43 0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.28 1spy h MET 85 CO 0.55 1.25 0.00 1.17 1.06 0.00 0.00 176.91 180.94 1spy n LYS 86 N -4.01 0.00 -2.69 1.72 4.81 -1.26 -5.09 118.16 111.64 1spy n LYS 86 Ca -0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.89 1spy n LYS 86 Cb 0.82 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.84 1spy n LYS 86 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1spy s ASP 87 N -2.00 6.48 -0.04 3.14 2.15 -1.26 -4.79 116.67 120.35 1spy s ASP 87 Ca 0.00 0.10 0.19 0.00 0.43 0.00 0.00 52.55 53.27 1spy s ASP 87 Cb 0.00 -2.51 0.33 0.00 -0.30 0.00 0.00 42.92 40.45 1spy s ASP 87 CO 0.00 -1.28 1.14 -0.90 -0.17 0.00 0.00 175.17 173.95 1spy n ASP 88 N 7.83 0.48 0.00 -0.34 5.75 -1.26 -4.88 116.55 124.12 1spy n ASP 88 Ca 0.07 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1spy n ASP 88 Cb 0.49 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85