#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spy n ASP 2 N 0.00 0.00 -2.38 3.17 2.03 -1.26 -5.13 116.55 112.98 1spy n ASP 2 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1spy n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1spy n ASP 2 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1spy n ASP 3 N -1.37 -6.38 0.01 1.67 2.03 -1.26 -4.92 116.55 106.33 1spy n ASP 3 Ca 0.00 1.61 0.11 0.00 0.52 0.00 0.00 54.79 57.03 1spy n ASP 3 Cb 0.00 -4.48 -0.14 0.00 -0.72 0.00 0.00 41.12 35.78 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1spy n ILE 4 N 1.89 0.10 0.24 5.18 -5.35 -1.26 -4.16 119.36 116.01 1spy n ILE 4 Ca -0.07 -0.48 0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1spy n ILE 4 Cb 0.11 -0.01 0.47 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.00 -0.59 4.28 0.05 -1.93 -3.12 116.97 115.66 1spy h TYR 5 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1spy h TYR 5 Cb 0.97 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 1spy h TYR 5 CO 0.00 0.08 0.07 -0.22 -1.05 0.00 0.00 178.16 177.04 1spy h LYS 6 N 0.00 0.99 0.00 4.88 3.11 -1.92 -2.79 116.57 120.84 1spy h LYS 6 Ca -0.00 -0.28 -0.13 0.00 -2.81 0.00 0.00 60.65 57.43 1spy h LYS 6 Cb 0.73 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1spy h LYS 6 CO 0.01 0.94 -0.61 0.00 -2.81 0.00 0.00 179.45 176.98 1spy h ALA 7 N 1.00 0.81 -0.67 5.00 0.00 -1.78 -3.00 119.26 120.62 1spy h ALA 7 Ca 0.18 -0.56 0.14 0.00 0.00 0.00 0.00 54.91 54.67 1spy h ALA 7 Cb 0.45 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1spy h ALA 7 CO 0.02 0.77 -0.04 0.00 0.00 0.00 0.00 179.25 180.00 1spy h ALA 8 N 1.39 0.62 0.00 0.00 0.00 -1.44 0.36 119.26 120.18 1spy h ALA 8 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1spy h ALA 8 Cb 1.22 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1spy h ALA 8 CO 0.08 -0.41 -0.39 0.28 0.00 0.00 0.00 179.25 178.81 1spy h VAL 9 N 0.08 0.00 0.00 0.00 2.07 -1.63 -3.25 116.25 113.53 1spy h VAL 9 Ca 0.35 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1spy h VAL 9 Cb 0.58 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1spy h VAL 9 CO -0.61 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 176.78 1spy h GLU 10 N 0.00 0.00 0.00 1.57 4.81 -0.32 -3.25 114.58 117.40 1spy h GLU 10 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1spy h GLU 10 Cb 0.79 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1spy h GLU 10 CO 0.00 0.00 -1.27 1.96 -0.73 0.00 0.00 179.01 178.97 1spy h GLN 11 N 0.00 0.00 -6.38 1.92 4.20 -0.69 -3.45 115.11 110.71 1spy h GLN 11 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1spy h GLN 11 Cb 0.87 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1spy h GLN 11 CO 0.00 0.36 0.51 -0.51 -0.67 0.00 0.00 178.83 178.52 1spy s LEU 12 N -5.95 4.33 0.29 1.46 1.43 -1.23 -5.03 118.68 113.98 1spy s LEU 12 Ca -0.02 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 1spy s LEU 12 Cb 0.08 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 1spy s LEU 12 CO 0.80 -0.40 0.66 0.42 0.23 0.00 0.00 176.35 178.06 1spy s THR 13 N 1.42 4.80 0.38 5.49 -4.23 -1.26 -4.81 115.64 117.42 1spy s THR 13 Ca 0.53 0.71 0.21 0.00 -1.18 0.00 0.00 61.69 61.96 1spy s THR 13 Cb -0.23 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1spy s THR 13 CO 0.25 -0.16 1.64 -0.33 -0.54 0.00 0.00 174.62 175.48 1spy h GLU 14 N 2.31 0.17 0.00 3.99 5.08 -1.97 2.07 114.58 126.23 1spy h GLU 14 Ca -0.47 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1spy h GLU 14 Cb 1.17 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1spy h GLU 14 CO 0.67 0.11 -0.10 1.49 -1.00 0.00 0.00 179.01 180.18 1spy h GLU 15 N 0.18 0.00 0.00 2.33 4.22 -2.01 -2.44 114.58 116.86 1spy h GLU 15 Ca 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 60.17 1spy h GLU 15 Cb 2.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1spy h GLU 15 CO -0.57 0.10 -0.37 1.96 -2.18 0.00 0.00 179.01 177.95 1spy h GLN 16 N 0.00 0.00 -0.84 1.92 4.20 0.30 -3.36 115.11 117.33 1spy h GLN 16 Ca -0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1spy h GLN 16 Cb 0.23 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.88 1spy h GLN 16 CO 0.01 0.48 0.23 -0.22 -0.67 0.00 0.00 178.83 178.67 1spy h LYS 17 N -1.00 0.24 -1.08 1.46 1.63 -1.30 0.44 116.57 116.96 1spy h LYS 17 Ca -0.07 -0.01 0.30 0.00 -0.85 0.00 0.00 60.65 60.01 1spy h LYS 17 Cb 0.65 -0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.12 1spy h LYS 17 CO -0.04 0.16 0.69 -0.91 -3.45 0.00 0.00 179.45 175.90 1spy h ASN 18 N 0.25 0.43 -0.34 4.20 2.35 -1.58 0.13 115.58 121.01 1spy h ASN 18 Ca 0.51 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 56.43 1spy h ASN 18 Cb 0.98 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.34 1spy h ASN 18 CO -0.60 0.02 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.12 1spy h GLU 19 N 0.35 0.08 -0.45 0.81 4.57 -0.25 -1.79 114.58 117.90 1spy h GLU 19 Ca 0.65 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.70 1spy h GLU 19 Cb 1.69 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.25 1spy h GLU 19 CO -0.35 0.05 -0.20 0.74 -1.18 0.00 0.00 179.01 178.07 1spy h PHE 20 N 0.09 1.03 -0.81 0.92 0.04 -0.86 -3.02 116.94 114.33 1spy h PHE 20 Ca 0.16 -0.24 0.18 0.00 2.80 0.00 0.00 57.97 60.88 1spy h PHE 20 Cb 0.23 -0.24 -0.11 0.00 2.20 0.00 0.00 35.95 38.02 1spy h PHE 20 CO -0.25 1.02 0.28 -0.22 -0.60 0.00 0.00 178.31 178.54 1spy h LYS 21 N 0.79 0.34 -0.72 1.51 3.64 -0.53 2.17 116.57 123.77 1spy h LYS 21 Ca 0.11 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1spy h LYS 21 Cb 0.75 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1spy h LYS 21 CO 0.06 0.22 0.36 0.00 -2.27 0.00 0.00 179.45 177.83 1spy h ALA 22 N 1.64 1.29 0.12 5.00 0.00 -1.32 -2.69 119.26 123.30 1spy h ALA 22 Ca 0.47 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 1spy h ALA 22 Cb 0.83 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1spy h ALA 22 CO -0.51 0.56 -1.55 0.00 0.00 0.00 0.00 179.25 177.76 1spy h ALA 23 N 1.39 0.22 -0.54 0.00 0.00 -0.59 -3.37 119.26 116.36 1spy h ALA 23 Ca 0.25 -1.15 0.11 0.00 0.00 0.00 0.00 54.91 54.12 1spy h ALA 23 Cb 0.07 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1spy h ALA 23 CO -0.04 0.92 -0.26 0.35 0.00 0.00 0.00 179.25 180.23 1spy h PHE 24 N -0.23 -0.67 0.00 0.00 3.57 0.34 0.85 116.94 120.80 1spy h PHE 24 Ca -0.33 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1spy h PHE 24 Cb 1.82 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.94 1spy h PHE 24 CO 0.11 -0.34 0.21 -0.44 -2.23 0.00 0.00 178.31 175.63 1spy h ASP 25 N -0.13 0.00 0.17 0.41 3.32 -1.64 -0.37 116.42 118.19 1spy h ASP 25 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1spy h ASP 25 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1spy h ASP 25 CO -0.62 0.00 0.00 0.40 -1.72 0.00 0.00 179.24 177.30 1spy h ILE 26 N 0.00 0.00 -1.47 0.35 1.08 0.59 -3.24 117.51 114.82 1spy h ILE 26 Ca 0.00 -0.09 -0.42 0.00 -0.39 0.00 0.00 64.86 63.96 1spy h ILE 26 Cb 0.42 1.08 -0.33 0.00 -3.07 0.00 0.00 36.82 34.92 1spy h ILE 26 CO 0.00 0.00 -0.99 0.49 -0.69 0.00 0.00 178.15 176.96 1spy n PHE 27 N -3.07 -0.69 -1.11 1.37 3.72 -0.15 -4.89 117.46 112.63 1spy n PHE 27 Ca -0.02 -3.34 0.07 0.00 -0.05 0.00 0.00 57.45 54.10 1spy n PHE 27 Cb 0.11 0.13 0.09 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.45 1.38 -1.55 -4.37 0.31 -1.22 -3.90 118.33 109.42 1spy n VAL 28 Ca 0.20 -1.63 -0.37 0.00 -0.01 0.00 0.00 64.34 62.53 1spy n VAL 28 Cb 0.66 0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.58 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 -1.02 2.35 0.00 7.52 -0.00 -1.26 -4.46 117.00 120.13 1spy n LEU 29 Ca 0.11 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.67 1spy n LEU 29 Cb 0.60 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 1spy n LEU 29 CO 0.01 -1.50 0.00 0.61 -0.00 0.00 0.00 177.39 176.51 1spy n GLY 30 N 6.01 0.63 3.22 1.47 0.00 -1.26 -4.98 105.19 110.28 1spy n GLY 30 Ca 0.37 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 3.18 -2.56 0.00 4.61 0.00 -1.26 -3.27 120.51 121.20 1spy n ALA 31 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1spy n ALA 31 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.00 0.00 0.00 0.00 0.00 -1.26 -2.86 120.64 114.52 1spy n GLU 32 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1spy n GLU 32 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 1spy n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1spy n ASP 33 N 1.47 0.00 -2.57 4.31 -0.08 -1.20 -4.99 116.55 113.49 1spy n ASP 33 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1spy n ASP 33 Cb 0.00 0.03 0.02 0.00 2.34 0.00 0.00 41.12 43.51 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1spy n GLY 34 N -0.84 3.41 3.24 0.27 0.00 -1.23 -4.77 105.19 105.27 1spy n GLY 34 Ca 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.32 2.15 -0.03 0.00 -4.36 0.45 -4.33 121.20 112.77 1spy s ILE 36 Ca 0.10 -1.55 -0.19 0.00 -0.26 0.00 0.00 60.65 58.76 1spy s ILE 36 Cb -0.04 -2.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 1spy s ILE 36 CO 0.03 0.00 0.53 -0.55 0.24 0.00 0.00 174.94 175.19 1spy s SER 37 N -4.08 6.88 0.64 4.36 0.15 -1.26 -1.91 113.70 118.48 1spy s SER 37 Ca 0.39 1.05 0.23 0.00 0.70 0.00 0.00 55.95 58.33 1spy s SER 37 Cb -0.00 -2.33 1.19 0.00 -1.71 0.00 0.00 66.02 63.17 1spy s SER 37 CO 0.23 0.13 1.66 0.71 1.20 0.00 0.00 173.24 177.16 1spy h THR 38 N 4.16 0.10 0.00 6.45 1.35 -1.88 1.42 112.91 124.52 1spy h THR 38 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1spy h THR 38 Cb 1.20 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1spy h THR 38 CO 0.69 0.00 -0.23 0.50 -0.25 0.00 0.00 175.52 176.24 1spy h LYS 39 N 0.00 0.00 0.06 4.72 3.64 -1.91 -3.30 116.57 119.78 1spy h LYS 39 Ca 0.12 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.19 1spy h LYS 39 Cb 1.33 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1spy h LYS 39 CO -0.00 0.00 -1.70 0.93 -2.27 0.00 0.00 179.45 176.40 1spy h GLU 40 N 0.00 0.13 -1.21 1.90 4.39 0.16 -3.35 114.58 116.60 1spy h GLU 40 Ca 0.00 -0.22 0.43 0.00 0.34 0.00 0.00 59.36 59.90 1spy h GLU 40 Cb 0.79 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.38 1spy h GLU 40 CO 0.00 0.86 0.74 1.25 -1.16 0.00 0.00 179.01 180.70 1spy h LEU 41 N 0.04 0.29 -0.04 1.33 6.46 -1.58 -0.42 115.31 121.38 1spy h LEU 41 Ca -0.30 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1spy h LEU 41 Cb 2.01 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 42.08 1spy h LEU 41 CO 0.10 -0.26 -0.29 1.23 -0.62 0.00 0.00 178.44 178.60 1spy h GLY 42 N 0.08 -1.29 1.66 3.75 0.00 -1.78 0.93 103.07 106.42 1spy h GLY 42 Ca 0.83 0.66 0.05 0.00 0.00 0.00 0.00 47.33 48.87 1spy h GLY 42 CO -0.55 -0.38 0.12 1.70 0.00 0.00 0.00 176.54 177.43 1spy h LYS 43 N -0.33 0.00 -0.01 4.80 3.64 -1.35 -0.91 116.57 122.41 1spy h LYS 43 Ca 0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1spy h LYS 43 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1spy h LYS 43 CO -0.22 0.00 -0.78 0.28 -2.27 0.00 0.00 179.45 176.47 1spy h VAL 44 N 0.00 1.52 -0.12 2.00 2.07 -0.53 -2.33 116.25 118.87 1spy h VAL 44 Ca 0.08 -2.55 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 1spy h VAL 44 Cb 0.33 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1spy h VAL 44 CO -0.00 0.73 -0.30 0.24 0.02 0.00 0.00 177.57 178.27 1spy h MET 45 N 0.04 0.40 -0.00 1.57 2.86 0.22 -3.02 114.93 117.01 1spy h MET 45 Ca -0.02 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1spy h MET 45 Cb 1.36 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1spy h MET 45 CO 0.11 0.89 -0.00 2.89 1.06 0.00 0.00 176.91 181.86 1spy n ARG 46 N -4.42 1.01 0.05 1.72 1.85 -0.57 -2.80 116.66 113.51 1spy n ARG 46 Ca -0.07 -0.09 -0.12 0.00 -1.00 0.00 0.00 57.85 56.57 1spy n ARG 46 Cb 0.48 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.39 1spy n ARG 46 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1spy h MET 47 N 0.21 0.44 0.00 2.89 2.86 -1.27 -3.28 114.93 116.79 1spy h MET 47 Ca 0.00 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1spy h MET 47 Cb 0.07 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1spy h MET 47 CO 0.00 1.04 -1.74 1.28 1.06 0.00 0.00 176.91 178.54 1spy n LEU 48 N -3.82 0.23 0.00 1.22 4.32 -1.23 -5.00 117.00 112.72 1spy n LEU 48 Ca -0.05 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1spy n LEU 48 Cb 0.75 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 1spy n LEU 48 CO 0.49 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1spy n GLY 49 N 1.25 2.25 3.70 -0.72 0.00 -1.21 -5.10 105.19 105.35 1spy n GLY 49 Ca -0.04 -0.27 -0.62 0.00 0.00 0.00 0.00 46.02 45.09 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 0.54 -3.14 1.61 1.13 -1.12 -4.67 117.38 111.73 1spy n GLN 50 Ca 0.00 0.20 -0.26 0.00 -1.94 0.00 0.00 57.00 55.00 1spy n GLN 50 Cb 0.00 -1.78 -0.05 0.00 0.11 0.00 0.00 30.24 28.51 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 4.20 3.63 -4.78 1.08 6.94 -1.26 -1.50 115.26 123.56 1spy n ASN 51 Ca 0.27 -3.48 -0.30 0.00 -0.02 0.00 0.00 54.58 51.05 1spy n ASN 51 Cb 0.05 -0.61 0.11 0.00 -2.36 0.00 0.00 39.78 36.97 1spy n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1spy s PRO 52 N -2.90 1.79 0.35 -0.53 0.04 -1.26 -5.03 135.00 127.46 1spy s PRO 52 Ca 0.44 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1spy s PRO 52 Cb 0.24 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1spy s PRO 52 CO -0.09 -1.82 0.72 -0.08 0.04 0.00 0.00 177.00 175.77 1spy s THR 53 N -3.13 4.78 0.12 1.26 -1.32 -1.26 -4.97 115.64 111.12 1spy s THR 53 Ca 0.62 0.68 0.22 0.00 -1.21 0.00 0.00 61.69 61.99 1spy s THR 53 Cb -0.15 -3.68 0.19 0.00 -1.51 0.00 0.00 72.50 67.35 1spy s THR 53 CO 0.55 -0.35 1.76 1.55 -2.21 0.00 0.00 174.62 175.92 1spy h PRO 54 N 1.74 0.00 -0.14 7.08 0.13 -1.99 -2.82 132.00 136.00 1spy h PRO 54 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1spy h PRO 54 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1spy h PRO 54 CO 0.65 0.29 -0.11 0.93 -0.23 0.00 0.00 178.00 179.53 1spy h GLU 55 N 0.00 0.21 0.04 0.86 5.08 -2.01 -1.78 114.58 116.99 1spy h GLU 55 Ca -0.00 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 1spy h GLU 55 Cb 0.85 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1spy h GLU 55 CO 0.04 0.34 -1.79 0.39 -1.00 0.00 0.00 179.01 176.98 1spy n GLU 56 N -4.30 0.67 -0.14 2.33 1.02 -1.15 -3.76 120.64 115.31 1spy n GLU 56 Ca -0.01 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.32 1spy n GLU 56 Cb 0.25 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 29.88 1spy n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1spy h LEU 57 N 0.02 0.67 0.46 -4.62 3.38 -1.32 -2.69 115.31 111.22 1spy h LEU 57 Ca -0.33 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 1spy h LEU 57 Cb 2.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1spy h LEU 57 CO 0.08 0.80 -0.22 -0.61 0.09 0.00 0.00 178.44 178.58 1spy h GLN 58 N 0.53 -0.60 -0.39 1.13 5.75 -1.49 -2.38 115.11 117.65 1spy h GLN 58 Ca 0.12 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 1spy h GLN 58 Cb 0.44 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 29.03 1spy h GLN 58 CO 0.02 -0.40 -0.31 1.49 -2.65 0.00 0.00 178.83 176.98 1spy h GLU 59 N -0.62 -0.23 -0.42 1.69 4.57 -1.64 -1.07 114.58 116.86 1spy h GLU 59 Ca -0.06 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1spy h GLU 59 Cb 0.48 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.03 1spy h GLU 59 CO 0.10 -0.15 -0.26 0.52 -1.18 0.00 0.00 179.01 178.05 1spy h MET 60 N -0.24 -0.17 -0.55 1.92 2.86 -1.33 -0.59 114.93 116.83 1spy h MET 60 Ca 0.18 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.94 1spy h MET 60 Cb 0.52 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.14 1spy h MET 60 CO -0.53 -0.11 0.04 0.82 1.06 0.00 0.00 176.91 178.19 1spy h ILE 61 N -0.18 0.60 -1.02 -1.22 2.04 -0.69 0.20 117.51 117.23 1spy h ILE 61 Ca 0.20 -0.06 0.25 0.00 1.00 0.00 0.00 64.86 66.25 1spy h ILE 61 Cb 0.49 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 1spy h ILE 61 CO -0.52 0.03 0.64 -0.78 0.00 0.00 0.00 178.15 177.52 1spy h ASP 62 N 0.16 0.55 1.21 1.72 3.58 -0.24 1.13 116.42 124.52 1spy h ASP 62 Ca 0.29 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.74 1spy h ASP 62 Cb 0.44 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1spy h ASP 62 CO -0.43 0.12 -0.83 -0.33 -2.88 0.00 0.00 179.24 174.89 1spy h GLU 63 N 0.49 0.00 0.16 0.28 5.08 -0.50 -3.36 114.58 116.73 1spy h GLU 63 Ca 0.60 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.68 1spy h GLU 63 Cb 1.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.61 1spy h GLU 63 CO -0.35 0.26 -1.39 0.28 -1.00 0.00 0.00 179.01 176.81 1spy h VAL 64 N 0.00 1.13 -2.75 3.13 2.07 0.26 -3.38 116.25 116.71 1spy h VAL 64 Ca -0.05 -2.49 -0.80 0.00 0.82 0.00 0.00 66.70 64.18 1spy h VAL 64 Cb 1.32 2.86 -0.26 0.00 -1.52 0.00 0.00 31.29 33.69 1spy h VAL 64 CO 0.04 0.76 0.94 0.47 0.02 0.00 0.00 177.57 179.79 1spy n ASP 65 N -3.86 6.17 -0.33 0.57 9.92 0.34 -4.82 116.55 124.54 1spy n ASP 65 Ca -0.22 -3.34 0.36 0.00 -0.53 0.00 0.00 54.79 51.06 1spy n ASP 65 Cb 0.95 -1.31 0.75 0.00 -0.64 0.00 0.00 41.12 40.87 1spy n ASP 65 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1spy h GLU 66 N 5.59 0.00 -0.22 -1.24 4.22 -1.76 2.00 114.58 123.18 1spy h GLU 66 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1spy h GLU 66 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1spy h GLU 66 CO 1.35 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.78 1spy n ASP 67 N -4.08 1.35 -3.53 1.04 5.75 -1.26 -4.89 116.55 110.93 1spy n ASP 67 Ca 0.26 -1.88 -0.26 0.00 -0.01 0.00 0.00 54.79 52.90 1spy n ASP 67 Cb 1.30 -0.14 0.02 0.00 -1.03 0.00 0.00 41.12 41.27 1spy n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spy n GLY 68 N 0.96 -0.50 0.32 6.12 0.00 0.68 -4.80 105.19 107.97 1spy n GLY 68 Ca 0.11 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.45 1spy n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1spy h SER 69 N -1.59 0.00 -1.48 1.61 4.64 -1.91 -3.45 113.55 111.37 1spy h SER 69 Ca -0.52 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.44 1spy h SER 69 Cb 1.35 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.34 1spy h SER 69 CO 0.60 0.00 -0.38 0.61 -0.87 0.00 0.00 176.83 176.79 1spy n GLY 70 N -1.30 0.97 3.37 -0.77 0.00 -1.26 -4.95 105.19 101.24 1spy n GLY 70 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.75 -0.12 0.16 2.61 -4.23 -1.26 -2.66 115.64 107.39 1spy s THR 71 Ca 0.00 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.65 1spy s THR 71 Cb 0.00 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1spy s THR 71 CO 0.00 0.03 0.06 0.68 -0.54 0.00 0.00 174.62 174.85 1spy s VAL 72 N 1.64 4.06 0.44 2.29 -7.23 -0.80 -4.85 120.40 115.95 1spy s VAL 72 Ca -0.09 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1spy s VAL 72 Cb -0.08 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1spy s VAL 72 CO -0.15 -0.10 0.07 -0.90 -0.31 0.00 0.00 175.10 173.72 1spy n ASP 73 N -0.17 3.06 0.25 4.85 5.68 -1.26 -0.41 116.55 128.55 1spy n ASP 73 Ca -0.09 -2.84 0.15 0.00 -0.50 0.00 0.00 54.79 51.51 1spy n ASP 73 Cb 0.55 0.24 0.82 0.00 -1.14 0.00 0.00 41.12 41.59 1spy n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1spy h PHE 74 N 1.11 0.00 0.12 2.11 3.04 -1.99 0.24 116.94 121.57 1spy h PHE 74 Ca -0.35 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.29 1spy h PHE 74 Cb 1.09 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 1spy h PHE 74 CO 0.00 0.00 -1.61 0.22 -2.02 0.00 0.00 178.31 174.90 1spy h ASP 75 N 0.00 0.40 0.00 0.41 1.82 -1.94 -3.28 116.42 113.83 1spy h ASP 75 Ca 0.00 -0.59 -0.14 0.00 -0.39 0.00 0.00 57.03 55.90 1spy h ASP 75 Cb 0.18 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1spy h ASP 75 CO 0.00 1.50 -0.88 -0.33 -1.61 0.00 0.00 179.24 177.92 1spy h GLU 76 N 0.07 0.00 -0.76 0.28 4.39 -1.50 -3.36 114.58 113.70 1spy h GLU 76 Ca -0.27 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.60 1spy h GLU 76 Cb 2.03 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.56 1spy h GLU 76 CO 0.15 0.75 0.12 0.35 -1.16 0.00 0.00 179.01 179.22 1spy h PHE 77 N -1.00 0.16 -0.57 4.33 3.57 -0.81 -0.09 116.94 122.53 1spy h PHE 77 Ca -0.22 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.45 1spy h PHE 77 Cb 1.04 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.73 1spy h PHE 77 CO 0.05 -0.16 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.89 1spy h LEU 78 N 0.19 -0.28 -1.16 0.59 3.38 -1.73 0.11 115.31 116.41 1spy h LEU 78 Ca 0.43 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.64 1spy h LEU 78 Cb 0.77 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1spy h LEU 78 CO -0.59 -0.11 0.59 0.58 0.09 0.00 0.00 178.44 179.00 1spy h VAL 79 N 0.11 0.99 -0.52 1.22 2.07 -1.16 -1.08 116.25 117.89 1spy h VAL 79 Ca 0.29 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1spy h VAL 79 Cb 0.46 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1spy h VAL 79 CO -0.50 0.17 -0.03 0.24 0.02 0.00 0.00 177.57 177.47 1spy h MET 80 N 0.95 0.91 -0.16 1.57 2.86 -0.61 -1.10 114.93 119.34 1spy h MET 80 Ca 0.42 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1spy h MET 80 Cb 0.35 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1spy h MET 80 CO -0.18 0.92 -0.08 0.52 1.06 0.00 0.00 176.91 179.15 1spy h MET 81 N 0.83 0.33 0.00 1.72 2.07 -0.35 -2.03 114.93 117.51 1spy h MET 81 Ca 0.15 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1spy h MET 81 Cb 0.54 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1spy h MET 81 CO 0.03 0.66 0.00 -0.39 1.07 0.00 0.00 176.91 178.28 1spy h VAL 82 N 0.00 0.00 0.00 -2.22 -1.51 -1.21 -2.42 116.25 108.89 1spy h VAL 82 Ca 0.03 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1spy h VAL 82 Cb 0.56 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1spy h VAL 82 CO 0.02 0.00 -0.72 -1.14 -1.23 0.00 0.00 177.57 174.50 1spy n ARG 83 N -2.48 0.06 -0.06 5.19 3.00 -0.43 -4.27 116.66 117.67 1spy n ARG 83 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.65 1spy n ARG 83 Cb 0.26 -1.52 -0.13 0.00 0.00 0.00 0.00 32.46 31.07 1spy n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1spy n MET 85 N -3.77 0.74 0.00 0.00 0.00 -1.12 -5.11 117.12 107.86 1spy n MET 85 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.33 1spy n MET 85 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.15 1spy n MET 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1spy n LYS 86 N -0.23 3.98 -1.47 3.17 2.85 -1.26 -4.95 118.16 120.25 1spy n LYS 86 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1spy n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1spy n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1spy n ASP 87 N 0.00 -7.25 -4.24 -5.58 -0.08 -1.26 -4.54 116.55 93.61 1spy n ASP 87 Ca 0.00 0.98 -0.32 0.00 -1.51 0.00 0.00 54.79 53.95 1spy n ASP 87 Cb 0.00 -3.62 -0.07 0.00 2.34 0.00 0.00 41.12 39.77 1spy n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1spy n ASP 88 N 0.73 -0.29 0.00 1.67 8.00 -1.26 -5.09 116.55 120.31 1spy n ASP 88 Ca 0.00 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1spy n ASP 88 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57