#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqi s SER 2 N 0.00 2.18 -0.52 1.61 0.01 -1.26 -5.11 113.70 110.61 2yqi s SER 2 Ca 0.00 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 2yqi s SER 2 Cb 0.00 -0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.21 2yqi s SER 2 CO 0.00 0.08 0.44 -0.44 0.41 0.00 0.00 173.24 173.73 2yqi s SER 3 N -1.38 5.96 0.00 2.44 0.01 -1.26 -5.02 113.70 114.45 2yqi s SER 3 Ca 0.05 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.38 2yqi s SER 3 Cb -0.09 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2yqi s SER 3 CO 0.02 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2yqi n GLY 4 N 4.98 3.77 3.59 3.44 0.00 -1.26 -4.99 105.19 114.71 2yqi n GLY 4 Ca -0.09 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 2yqi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqi s SER 5 N 0.28 -0.42 1.00 1.61 1.04 -1.26 -4.51 113.70 111.44 2yqi s SER 5 Ca 0.00 0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 2yqi s SER 5 Cb 0.00 0.51 0.19 0.00 0.10 0.00 0.00 66.02 66.82 2yqi s SER 5 CO 0.00 -0.30 1.14 -1.20 0.98 0.00 0.00 173.24 173.86 2yqi n SER 6 N 1.23 0.10 0.11 7.02 7.64 -1.26 -5.01 113.62 123.45 2yqi n SER 6 Ca -0.12 -1.42 -0.05 0.00 1.01 0.00 0.00 58.87 58.30 2yqi n SER 6 Cb 0.57 -0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 2yqi n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2yqi h GLY 7 N -1.49 -0.32 0.07 0.23 0.00 -2.02 -3.38 103.07 96.16 2yqi h GLY 7 Ca -0.37 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2yqi h GLY 7 CO 0.26 -0.12 -0.12 3.43 0.00 0.00 0.00 176.54 180.00 2yqi h ASN 8 N -0.50 -0.34 -2.97 0.19 -0.26 -2.06 -3.42 115.58 106.21 2yqi h ASN 8 Ca -0.03 0.03 -0.59 0.00 -0.56 0.00 0.00 56.30 55.15 2yqi h ASN 8 Cb 0.23 0.12 0.13 0.00 -1.06 0.00 0.00 38.32 37.75 2yqi h ASN 8 CO 0.05 -0.14 0.10 0.00 -1.06 0.00 0.00 177.43 176.38 2yqi n ALA 9 N -2.47 -0.02 -1.58 -0.83 0.00 -1.26 -4.94 120.51 109.42 2yqi n ALA 9 Ca -0.02 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2yqi n ALA 9 Cb 0.10 -2.05 0.04 0.00 0.00 0.00 0.00 19.45 17.54 2yqi n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yqi s PRO 10 N -1.97 2.94 0.38 0.00 0.04 -1.26 -4.38 135.00 130.74 2yqi s PRO 10 Ca 0.63 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2yqi s PRO 10 Cb -0.56 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 2yqi s PRO 10 CO 0.57 -1.15 1.08 -1.59 0.04 0.00 0.00 177.00 175.94 2yqi s LYS 11 N -3.90 4.21 0.41 4.56 -2.85 -1.26 -4.79 119.74 116.12 2yqi s LYS 11 Ca 0.68 1.61 -0.25 0.00 -1.00 0.00 0.00 55.97 57.01 2yqi s LYS 11 Cb -0.21 -2.66 -0.08 0.00 -2.06 0.00 0.00 37.83 32.82 2yqi s LYS 11 CO 0.38 -0.12 1.19 1.03 0.10 0.00 0.00 175.35 177.93 2yqi s ARG 12 N -2.31 4.01 0.51 1.78 0.52 -1.26 -5.00 118.95 117.20 2yqi s ARG 12 Ca 0.56 1.89 -0.21 0.00 -0.52 0.00 0.00 55.73 57.45 2yqi s ARG 12 Cb -0.25 -2.67 -0.06 0.00 0.52 0.00 0.00 34.95 32.49 2yqi s ARG 12 CO 0.31 -0.38 1.14 -1.25 0.02 0.00 0.00 175.30 175.15 2yqi s PRO 13 N -2.32 3.49 0.89 3.54 0.04 -1.26 -5.03 135.00 134.35 2yqi s PRO 13 Ca 0.58 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2yqi s PRO 13 Cb -0.32 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.21 2yqi s PRO 13 CO 0.40 -0.75 1.09 -1.25 0.04 0.00 0.00 177.00 176.54 2yqi s PRO 14 N -3.09 1.32 0.05 0.56 0.04 -1.26 -5.05 135.00 127.57 2yqi s PRO 14 Ca 0.70 0.84 0.05 0.00 0.04 0.00 0.00 61.00 62.63 2yqi s PRO 14 Cb -0.25 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2yqi s PRO 14 CO 0.29 -2.20 -0.10 -1.54 0.04 0.00 0.00 177.00 173.49 2yqi s SER 15 N -3.42 4.37 0.44 6.66 1.04 -1.26 -4.77 113.70 116.76 2yqi s SER 15 Ca 0.63 -0.29 0.39 0.00 0.48 0.00 0.00 55.95 57.16 2yqi s SER 15 Cb -0.18 -0.90 1.38 0.00 0.10 0.00 0.00 66.02 66.43 2yqi s SER 15 CO 0.57 0.24 1.27 0.61 0.98 0.00 0.00 173.24 176.91 2yqi n GLY 16 N 1.24 -0.79 0.16 7.32 0.00 -1.25 0.23 105.19 112.10 2yqi n GLY 16 Ca -0.15 0.58 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 2yqi n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2yqi h PHE 17 N 0.00 0.68 0.58 1.61 3.57 -1.94 -3.22 116.94 118.22 2yqi h PHE 17 Ca 0.76 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 61.94 2yqi h PHE 17 Cb 2.96 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 41.60 2yqi h PHE 17 CO -0.00 1.06 -0.28 0.35 -2.23 0.00 0.00 178.31 177.21 2yqi h PHE 18 N 0.10 -0.72 -0.94 0.41 3.57 0.25 -2.25 116.94 117.37 2yqi h PHE 18 Ca -0.03 -0.02 0.38 0.00 3.53 0.00 0.00 57.97 61.84 2yqi h PHE 18 Cb 1.11 0.24 -0.15 0.00 2.79 0.00 0.00 35.95 39.93 2yqi h PHE 18 CO 0.11 -0.42 0.52 1.28 -2.23 0.00 0.00 178.31 177.58 2yqi n LEU 19 N -5.30 0.29 0.05 0.59 4.77 -0.64 0.22 117.00 116.99 2yqi n LEU 19 Ca -0.10 1.44 -0.19 0.00 -0.03 0.00 0.00 56.01 57.13 2yqi n LEU 19 Cb 0.32 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2yqi n LEU 19 CO 0.26 -1.61 0.10 0.15 -1.33 0.00 0.00 177.39 174.96 2yqi h PHE 20 N 0.00 0.95 -0.62 -1.77 3.04 -1.55 -2.64 116.94 114.35 2yqi h PHE 20 Ca 0.76 -0.52 -0.06 0.00 3.98 0.00 0.00 57.97 62.13 2yqi h PHE 20 Cb 2.08 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 40.45 2yqi h PHE 20 CO -0.01 1.35 0.14 0.00 -2.02 0.00 0.00 178.31 177.78 2yqi h SER 22 N 0.93 0.00 1.24 0.00 0.87 -0.68 0.85 113.55 116.77 2yqi h SER 22 Ca 0.20 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 2yqi h SER 22 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2yqi h SER 22 CO 0.00 0.50 -0.79 -0.08 -0.53 0.00 0.00 176.83 175.93 2yqi h GLU 23 N 0.00 0.00 0.00 2.24 4.81 -1.06 -3.30 114.58 117.28 2yqi h GLU 23 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2yqi h GLU 23 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2yqi h GLU 23 CO 0.07 0.33 -1.14 1.19 -0.73 0.00 0.00 179.01 178.72 2yqi n PHE 24 N -3.05 0.09 -0.17 0.92 3.01 0.28 -4.32 117.46 114.22 2yqi n PHE 24 Ca -0.02 0.03 -0.05 0.00 1.01 0.00 0.00 57.45 58.42 2yqi n PHE 24 Cb 0.73 -0.25 0.04 0.00 -0.01 0.00 0.00 39.48 39.99 2yqi n PHE 24 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2yqi h ARG 25 N 0.00 0.58 -0.61 -1.08 2.43 -0.90 -2.80 114.38 111.99 2yqi h ARG 25 Ca 0.00 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 2yqi h ARG 25 Cb 0.66 -0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 2yqi h ARG 25 CO 0.00 0.38 -0.14 -1.35 -1.51 0.00 0.00 179.97 177.35 2yqi h PRO 26 N 0.59 0.01 0.76 0.20 0.11 -1.75 0.17 132.00 132.09 2yqi h PRO 26 Ca 0.21 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2yqi h PRO 26 Cb 0.05 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.17 2yqi h PRO 26 CO -0.11 0.01 -0.36 0.87 -0.21 0.00 0.00 178.00 178.19 2yqi h LYS 27 N 0.01 -0.98 -0.80 1.05 1.57 -1.77 0.14 116.57 115.79 2yqi h LYS 27 Ca 0.29 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.32 2yqi h LYS 27 Cb 0.45 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 32.87 2yqi h LYS 27 CO -0.62 -0.65 0.26 0.82 -0.57 0.00 0.00 179.45 178.70 2yqi h ILE 28 N -1.04 0.50 0.00 1.86 2.04 -1.21 1.24 117.51 120.90 2yqi h ILE 28 Ca -0.10 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2yqi h ILE 28 Cb 0.78 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2yqi h ILE 28 CO 0.17 0.06 0.00 0.11 0.00 0.00 0.00 178.15 178.49 2yqi h LYS 29 N 0.33 0.00 0.00 2.37 1.57 -0.79 0.40 116.57 120.45 2yqi h LYS 29 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2yqi h LYS 29 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2yqi h LYS 29 CO -0.52 0.00 -1.21 0.43 -0.57 0.00 0.00 179.45 177.59 2yqi n SER 30 N -2.98 0.60 -0.11 0.86 7.64 0.27 -4.40 113.62 115.50 2yqi n SER 30 Ca 0.01 -0.41 -0.21 0.00 1.01 0.00 0.00 58.87 59.28 2yqi n SER 30 Cb 0.34 1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 64.51 2yqi n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2yqi n THR 31 N -1.87 1.55 -3.63 0.44 -2.24 0.35 -4.93 114.28 103.95 2yqi n THR 31 Ca 0.01 -0.53 -0.37 0.00 -2.27 0.00 0.00 64.05 60.90 2yqi n THR 31 Cb 0.43 -1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.00 2yqi n THR 31 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2yqi s ASN 32 N -6.80 6.46 -0.37 3.42 0.02 0.10 -5.04 114.94 112.73 2yqi s ASN 32 Ca -0.33 0.54 -0.28 0.00 -1.02 0.00 0.00 52.86 51.77 2yqi s ASN 32 Cb 0.10 -2.16 -0.01 0.00 0.02 0.00 0.00 41.25 39.20 2yqi s ASN 32 CO 0.61 0.22 1.71 -2.16 0.02 0.00 0.00 177.10 177.50 2yqi s PRO 33 N -0.15 3.33 -1.19 -0.60 0.04 -1.26 -3.75 135.00 131.42 2yqi s PRO 33 Ca 0.16 1.24 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 2yqi s PRO 33 Cb -0.13 -4.18 0.01 0.00 0.04 0.00 0.00 34.50 30.24 2yqi s PRO 33 CO 0.05 -1.87 0.72 0.41 0.04 0.00 0.00 177.00 176.35 2yqi n GLY 34 N 5.37 -0.88 3.72 0.56 0.00 -1.26 -4.88 105.19 107.83 2yqi n GLY 34 Ca 0.21 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 2yqi n GLY 34 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yqi s ILE 35 N -3.53 3.57 0.29 -0.61 2.07 -1.25 -4.99 121.20 116.74 2yqi s ILE 35 Ca 0.44 1.20 -0.29 0.00 -1.41 0.00 0.00 60.65 60.59 2yqi s ILE 35 Cb -0.18 -3.77 -0.10 0.00 0.13 0.00 0.00 42.46 38.54 2yqi s ILE 35 CO 0.90 0.14 1.22 -0.44 -1.91 0.00 0.00 174.94 174.84 2yqi s SER 36 N 0.69 7.01 0.35 4.50 0.01 -1.26 -4.84 113.70 120.15 2yqi s SER 36 Ca 0.58 2.46 0.16 0.00 1.31 0.00 0.00 55.95 60.46 2yqi s SER 36 Cb -0.34 -2.63 1.17 0.00 0.21 0.00 0.00 66.02 64.44 2yqi s SER 36 CO 0.33 -0.36 1.62 0.40 0.41 0.00 0.00 173.24 175.64 2yqi h ILE 37 N 3.18 0.14 -0.74 1.44 5.03 -2.00 0.92 117.51 125.48 2yqi h ILE 37 Ca -0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 2yqi h ILE 37 Cb 1.22 -0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 34.95 2yqi h ILE 37 CO 0.68 0.03 0.46 1.23 -0.68 0.00 0.00 178.15 179.87 2yqi h GLY 38 N 0.15 1.06 0.63 5.37 0.00 -2.00 -1.80 103.07 106.47 2yqi h GLY 38 Ca 0.77 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 2yqi h GLY 38 CO -0.70 0.41 -0.06 -0.55 0.00 0.00 0.00 176.54 175.63 2yqi h ASP 39 N 1.01 -0.14 -0.90 0.19 5.19 0.50 -2.76 116.42 119.51 2yqi h ASP 39 Ca 0.27 -0.30 0.12 0.00 -0.62 0.00 0.00 57.03 56.50 2yqi h ASP 39 Cb -0.07 0.04 -0.07 0.00 0.18 0.00 0.00 39.33 39.40 2yqi h ASP 39 CO -0.05 0.24 0.58 0.58 -3.12 0.00 0.00 179.24 177.46 2yqi h VAL 40 N -0.55 0.90 -0.17 -1.35 2.07 -1.27 -1.72 116.25 114.16 2yqi h VAL 40 Ca -0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2yqi h VAL 40 Cb 0.43 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2yqi h VAL 40 CO 0.03 0.15 0.09 0.00 0.02 0.00 0.00 177.57 177.86 2yqi h ALA 41 N 1.58 0.22 -0.88 1.67 0.00 -1.27 -0.27 119.26 120.31 2yqi h ALA 41 Ca 0.44 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2yqi h ALA 41 Cb 0.56 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2yqi h ALA 41 CO -0.20 -0.25 0.58 -0.22 0.00 0.00 0.00 179.25 179.15 2yqi h LYS 42 N 0.17 1.04 0.48 0.00 3.64 -1.04 -1.85 116.57 119.01 2yqi h LYS 42 Ca 0.06 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2yqi h LYS 42 Cb 0.07 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2yqi h LYS 42 CO -0.01 0.69 -0.23 0.87 -2.27 0.00 0.00 179.45 178.49 2yqi h LYS 43 N 1.07 -0.63 -0.30 1.90 1.57 -1.07 -3.16 116.57 115.95 2yqi h LYS 43 Ca 0.36 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.22 2yqi h LYS 43 Cb 0.08 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2yqi h LYS 43 CO -0.12 -0.35 -0.42 -0.07 -0.57 0.00 0.00 179.45 177.92 2yqi h LEU 44 N -1.09 -1.40 -0.97 2.94 3.38 -0.92 0.98 115.31 118.23 2yqi h LEU 44 Ca -0.07 0.18 0.31 0.00 0.09 0.00 0.00 57.88 58.40 2yqi h LEU 44 Cb 0.57 0.57 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 2yqi h LEU 44 CO 0.11 -0.31 0.17 0.61 0.09 0.00 0.00 178.44 179.11 2yqi n GLY 45 N -1.28 -1.14 0.14 0.83 0.00 -0.71 -0.51 105.19 102.51 2yqi n GLY 45 Ca -0.03 0.90 -0.12 0.00 0.00 0.00 0.00 46.02 46.77 2yqi n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yqi h GLU 46 N 0.00 -0.22 -1.00 1.61 4.39 -1.02 -3.10 114.58 115.24 2yqi h GLU 46 Ca 0.66 0.02 0.26 0.00 0.34 0.00 0.00 59.36 60.64 2yqi h GLU 46 Cb 1.50 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 30.07 2yqi h GLU 46 CO -0.86 0.19 0.58 0.52 -1.16 0.00 0.00 179.01 178.28 2yqi h MET 47 N -0.75 0.50 0.79 2.33 2.86 0.15 -0.49 114.93 120.33 2yqi h MET 47 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2yqi h MET 47 Cb 0.51 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2yqi h MET 47 CO 0.04 0.33 -0.43 2.35 1.06 0.00 0.00 176.91 180.26 2yqi h TRP 48 N 0.51 -1.12 -0.94 -0.22 2.91 -0.95 -2.38 115.95 113.75 2yqi h TRP 48 Ca 0.67 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.79 2yqi h TRP 48 Cb 1.34 0.39 -0.08 0.00 -0.51 0.00 0.00 29.16 30.30 2yqi h TRP 48 CO -0.01 -0.67 0.60 -0.97 -1.03 0.00 0.00 178.44 176.36 2yqi h ASN 49 N -1.13 0.80 -0.42 2.65 -1.24 -1.17 -1.65 115.58 113.43 2yqi h ASN 49 Ca -0.11 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.01 2yqi h ASN 49 Cb 0.88 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.76 2yqi h ASN 49 CO 0.14 0.43 0.10 0.78 -1.29 0.00 0.00 177.43 177.60 2yqi h ASN 50 N 0.86 0.06 -2.54 1.15 2.35 -0.84 -3.43 115.58 113.18 2yqi h ASN 50 Ca 0.46 0.06 -0.53 0.00 -0.55 0.00 0.00 56.30 55.74 2yqi h ASN 50 Cb 0.56 0.08 0.23 0.00 0.05 0.00 0.00 38.32 39.23 2yqi h ASN 50 CO -0.23 0.07 -1.34 0.18 -1.65 0.00 0.00 177.43 174.46 2yqi n LEU 51 N -5.07 -3.30 -4.85 1.61 4.77 -0.62 -4.99 117.00 104.55 2yqi n LEU 51 Ca 0.03 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 2yqi n LEU 51 Cb 0.18 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 2yqi n LEU 51 CO 0.24 -4.72 -0.14 0.21 -1.33 0.00 0.00 177.39 171.65 2yqi s ASN 52 N -1.46 5.64 0.65 -1.43 2.47 -1.26 -4.96 114.94 114.59 2yqi s ASN 52 Ca 0.48 -0.22 0.31 0.00 0.42 0.00 0.00 52.86 53.84 2yqi s ASN 52 Cb -0.17 -1.44 1.66 0.00 -1.45 0.00 0.00 41.25 39.84 2yqi s ASN 52 CO 0.75 -0.08 1.95 0.44 -3.72 0.00 0.00 177.10 176.45 2yqi h ASP 53 N 1.41 0.00 0.91 -4.21 3.32 -1.96 0.53 116.42 116.43 2yqi h ASP 53 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 2yqi h ASP 53 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 2yqi h ASP 53 CO 0.60 0.00 -1.16 0.28 -1.72 0.00 0.00 179.24 177.24 2yqi h SER 54 N 0.00 0.00 0.54 6.45 0.02 -2.00 -3.08 113.55 115.48 2yqi h SER 54 Ca 0.03 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.69 2yqi h SER 54 Cb 0.68 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.23 2yqi h SER 54 CO -0.00 0.50 -1.32 -0.33 -1.14 0.00 0.00 176.83 174.54 2yqi h GLU 55 N 0.00 0.33 0.00 3.45 4.39 -0.35 -3.27 114.58 119.13 2yqi h GLU 55 Ca -0.11 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 2yqi h GLU 55 Cb 1.48 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2yqi h GLU 55 CO 0.04 1.27 -0.09 0.87 -1.16 0.00 0.00 179.01 179.94 2yqi h LYS 56 N 0.09 0.00 -0.57 2.33 1.57 -1.41 -3.34 116.57 115.24 2yqi h LYS 56 Ca -0.17 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2yqi h LYS 56 Cb 2.02 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.23 2yqi h LYS 56 CO 0.22 0.09 -0.50 1.96 -0.57 0.00 0.00 179.45 180.64 2yqi h GLN 57 N 0.00 -0.25 0.00 3.15 1.08 -1.59 0.77 115.11 118.28 2yqi h GLN 57 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2yqi h GLN 57 Cb 1.02 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2yqi h GLN 57 CO 0.01 -0.17 0.00 -0.35 -0.95 0.00 0.00 178.83 177.37 2yqi n PRO 58 N -5.38 0.04 -0.03 1.46 -0.04 -1.25 -2.19 135.00 127.61 2yqi n PRO 58 Ca -0.00 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 2yqi n PRO 58 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2yqi n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yqi n TYR 59 N -1.46 0.46 0.10 0.54 4.01 0.21 -4.00 117.16 117.02 2yqi n TYR 59 Ca 0.04 0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.72 2yqi n TYR 59 Cb 0.16 -0.98 -0.15 0.00 -0.31 0.00 0.00 39.34 38.06 2yqi n TYR 59 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2yqi h ILE 60 N 0.00 1.10 -0.63 -0.72 2.04 0.50 -3.32 117.51 116.47 2yqi h ILE 60 Ca -0.30 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 62.91 2yqi h ILE 60 Cb 1.81 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 40.71 2yqi h ILE 60 CO 0.04 0.84 0.40 0.74 0.00 0.00 0.00 178.15 180.16 2yqi h THR 61 N 0.11 1.17 -0.60 -0.27 2.02 -1.64 -1.88 112.91 111.83 2yqi h THR 61 Ca -0.29 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 2yqi h THR 61 Cb 2.10 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2yqi h THR 61 CO 0.21 0.17 0.26 0.50 0.37 0.00 0.00 175.52 177.03 2yqi h LYS 62 N 0.86 0.86 0.00 6.66 3.11 -1.69 -1.99 116.57 124.38 2yqi h LYS 62 Ca 0.23 -0.12 -0.10 0.00 -2.81 0.00 0.00 60.65 57.85 2yqi h LYS 62 Cb -0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 2yqi h LYS 62 CO -0.05 0.69 -0.46 0.00 -2.81 0.00 0.00 179.45 176.82 2yqi h ALA 63 N 1.44 1.10 -0.68 5.00 0.00 -1.45 -3.01 119.26 121.65 2yqi h ALA 63 Ca 0.21 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2yqi h ALA 63 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2yqi h ALA 63 CO -0.02 0.57 0.41 0.00 0.00 0.00 0.00 179.25 180.21 2yqi h ALA 64 N 1.54 1.44 0.00 0.00 0.00 -0.98 -1.70 119.26 119.57 2yqi h ALA 64 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2yqi h ALA 64 Cb 0.89 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2yqi h ALA 64 CO 0.06 0.49 -0.59 0.87 0.00 0.00 0.00 179.25 180.08 2yqi h LYS 65 N 0.94 0.00 0.00 0.00 1.57 -1.49 -2.81 116.57 114.78 2yqi h LYS 65 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2yqi h LYS 65 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2yqi h LYS 65 CO -0.05 0.59 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.25 2yqi h LEU 66 N 0.00 0.00 0.12 2.94 -0.00 -1.33 -3.08 115.31 113.96 2yqi h LEU 66 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.60 2yqi h LEU 66 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2yqi h LEU 66 CO 0.08 0.10 -1.25 0.50 -0.00 0.00 0.00 178.44 177.86 2yqi h LYS 67 N 0.00 0.25 0.00 1.13 3.64 -1.15 -2.68 116.57 117.76 2yqi h LYS 67 Ca -0.00 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2yqi h LYS 67 Cb 0.78 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2yqi h LYS 67 CO 0.01 1.20 -0.26 1.05 -2.27 0.00 0.00 179.45 179.18 2yqi h GLU 68 N 0.07 0.00 0.00 1.90 4.11 -1.44 -1.61 114.58 117.61 2yqi h GLU 68 Ca -0.14 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 2yqi h GLU 68 Cb 1.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 2yqi h GLU 68 CO 0.20 0.26 -1.21 0.87 0.07 0.00 0.00 179.01 179.20 2yqi h LYS 69 N 0.00 0.00 0.04 1.06 1.57 -1.58 -3.34 116.57 114.32 2yqi h LYS 69 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2yqi h LYS 69 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2yqi h LYS 69 CO 0.03 0.30 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.27 2yqi h TYR 70 N 0.00 -0.05 -0.88 -1.35 3.20 -1.19 -3.25 116.97 113.45 2yqi h TYR 70 Ca -0.12 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 61.97 2yqi h TYR 70 Cb 1.50 0.02 -0.16 0.00 1.54 0.00 0.00 36.73 39.63 2yqi h TYR 70 CO 0.00 0.39 0.00 0.93 -1.64 0.00 0.00 178.16 177.84 2yqi h GLU 71 N -0.98 0.06 -0.41 1.82 5.08 -1.49 0.43 114.58 119.09 2yqi h GLU 71 Ca -0.01 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2yqi h GLU 71 Cb 0.47 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2yqi h GLU 71 CO 0.01 0.04 0.11 -0.22 -1.00 0.00 0.00 179.01 177.95 2yqi h LYS 72 N 0.06 0.25 -0.16 2.33 3.11 -1.69 0.80 116.57 121.28 2yqi h LYS 72 Ca 0.50 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 58.21 2yqi h LYS 72 Cb 0.94 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 2yqi h LYS 72 CO -0.80 0.17 -0.39 0.22 -2.81 0.00 0.00 179.45 175.84 2yqi h ASP 73 N 0.26 0.38 -0.58 4.20 1.82 -0.43 -2.93 116.42 119.14 2yqi h ASP 73 Ca 0.20 -0.16 -0.09 0.00 -0.39 0.00 0.00 57.03 56.59 2yqi h ASP 73 Cb 0.22 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 2yqi h ASP 73 CO -0.23 0.73 -0.01 0.58 -1.61 0.00 0.00 179.24 178.70 2yqi h VAL 74 N 0.30 1.27 0.64 2.25 2.07 0.62 -2.68 116.25 120.72 2yqi h VAL 74 Ca 0.03 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2yqi h VAL 74 Cb 0.82 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2yqi h VAL 74 CO 0.07 0.41 -0.31 0.00 0.02 0.00 0.00 177.57 177.76 2yqi h ALA 75 N 0.97 -1.15 -0.82 1.67 0.00 -0.76 -3.10 119.26 116.06 2yqi h ALA 75 Ca 0.16 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.08 2yqi h ALA 75 Cb 0.56 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 2yqi h ALA 75 CO 0.03 -1.09 -0.02 -0.44 0.00 0.00 0.00 179.25 177.73 2yqi h ASP 76 N -0.91 -0.43 -0.70 0.00 5.19 -1.58 -0.59 116.42 117.39 2yqi h ASP 76 Ca -0.09 0.22 0.10 0.00 -0.62 0.00 0.00 57.03 56.64 2yqi h ASP 76 Cb 0.66 0.40 -0.12 0.00 0.18 0.00 0.00 39.33 40.45 2yqi h ASP 76 CO 0.14 -0.23 -0.44 0.22 -3.12 0.00 0.00 179.24 175.81 2yqi h TYR 77 N 0.07 -1.31 -3.96 4.55 5.03 -1.41 -3.40 116.97 116.54 2yqi h TYR 77 Ca 0.45 0.09 -0.46 0.00 2.58 0.00 0.00 58.73 61.40 2yqi h TYR 77 Cb 0.82 0.67 -0.02 0.00 1.55 0.00 0.00 36.73 39.75 2yqi h TYR 77 CO -0.47 -0.41 0.35 0.21 -1.32 0.00 0.00 178.16 176.51 2yqi s LYS 78 N -5.82 4.41 -1.02 1.82 2.36 -0.23 -5.00 119.74 116.27 2yqi s LYS 78 Ca -0.14 1.26 -0.12 0.00 -2.55 0.00 0.00 55.97 54.42 2yqi s LYS 78 Cb 0.14 -2.53 0.23 0.00 -1.05 0.00 0.00 37.83 34.62 2yqi s LYS 78 CO 0.67 0.12 1.05 0.45 1.55 0.00 0.00 175.35 179.19 2yqi s SER 79 N -1.84 7.04 -0.10 1.43 0.15 -1.26 -4.85 113.70 114.27 2yqi s SER 79 Ca 0.55 -3.07 -0.11 0.00 0.70 0.00 0.00 55.95 54.03 2yqi s SER 79 Cb -0.15 -2.26 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2yqi s SER 79 CO 0.20 -0.52 0.33 0.11 1.20 0.00 0.00 173.24 174.56 2yqi h LYS 80 N 7.31 -0.05 0.00 5.44 6.56 -1.92 -3.54 116.57 130.38 2yqi h LYS 80 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2yqi h LYS 80 Cb 0.94 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 2yqi h LYS 80 CO 0.97 0.29 0.00 0.41 -2.06 0.00 0.00 179.45 179.06