#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 5.16 -0.28 1.61 1.04 -1.26 -5.05 113.70 114.93 2yqi s SER 2 Ca 0.00 -2.13 -0.24 0.00 0.48 0.00 0.00 55.95 54.06 2yqi s SER 2 Cb 0.00 -1.80 0.10 0.00 0.10 0.00 0.00 66.02 64.42 2yqi s SER 2 CO 0.00 -0.50 0.86 -0.44 0.98 0.00 0.00 173.24 174.14 2yqi s SER 3 N 1.56 -0.62 0.00 7.02 0.01 -1.26 -5.18 113.70 115.23 2yqi s SER 3 Ca 0.09 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2yqi s SER 3 Cb -0.22 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2yqi s SER 3 CO -0.05 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2yqi n GLY 4 N 2.60 1.12 3.85 3.44 0.00 -1.26 -5.18 105.19 109.75 2yqi n GLY 4 Ca -0.14 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 2yqi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqi s SER 5 N -0.38 4.64 -0.16 1.61 0.01 -1.26 -5.14 113.70 113.02 2yqi s SER 5 Ca 0.00 -1.12 -0.04 0.00 1.31 0.00 0.00 55.95 56.10 2yqi s SER 5 Cb 0.00 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.29 2yqi s SER 5 CO 0.00 -0.85 0.19 -0.44 0.41 0.00 0.00 173.24 172.54 2yqi s SER 6 N -4.13 1.29 0.00 2.44 0.01 -1.26 -5.13 113.70 106.92 2yqi s SER 6 Ca 0.37 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2yqi s SER 6 Cb -0.01 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2yqi s SER 6 CO 0.22 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2yqi n GLY 7 N 5.32 1.28 1.57 3.44 0.00 -1.26 -5.09 105.19 110.45 2yqi n GLY 7 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2yqi n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yqi n ASN 8 N -0.25 0.19 -4.55 1.61 0.23 -1.26 -5.09 115.26 106.14 2yqi n ASN 8 Ca 0.00 0.17 -0.42 0.00 -0.53 0.00 0.00 54.58 53.80 2yqi n ASN 8 Cb 0.00 0.05 0.01 0.00 -2.08 0.00 0.00 39.78 37.75 2yqi n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yqi n ALA 9 N -3.10 -0.45 -1.77 -2.53 0.00 -1.26 -4.91 120.51 106.49 2yqi n ALA 9 Ca 0.00 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2yqi n ALA 9 Cb 0.11 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.84 4.15 0.20 0.00 0.04 -1.26 -5.02 135.00 131.26 2yqi s PRO 10 Ca 0.63 1.93 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 2yqi s PRO 10 Cb -0.59 -2.79 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 2yqi s PRO 10 CO 0.57 -0.27 0.75 0.15 0.04 0.00 0.00 177.00 178.24 2yqi s LYS 11 N -2.13 4.39 0.45 4.56 1.02 -1.26 -5.02 119.74 121.75 2yqi s LYS 11 Ca 0.55 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 57.29 2yqi s LYS 11 Cb -0.33 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 2yqi s LYS 11 CO 0.42 0.47 1.21 0.54 -0.92 0.00 0.00 175.35 177.07 2yqi n ARG 12 N 1.10 1.70 -2.26 1.68 3.00 -1.26 -4.95 116.66 115.67 2yqi n ARG 12 Ca -0.04 0.61 -0.36 0.00 -0.01 0.00 0.00 57.85 58.05 2yqi n ARG 12 Cb 0.50 -2.33 -0.00 0.00 0.00 0.00 0.00 32.46 30.63 2yqi n ARG 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yqi s PRO 13 N -2.31 3.51 0.82 5.56 0.04 -1.26 -5.03 135.00 136.34 2yqi s PRO 13 Ca 0.64 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 2yqi s PRO 13 Cb -0.50 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 31.97 2yqi s PRO 13 CO 0.56 -0.73 1.09 -1.25 0.04 0.00 0.00 177.00 176.70 2yqi s PRO 14 N -3.06 1.84 0.08 0.56 0.04 -1.26 -5.04 135.00 128.16 2yqi s PRO 14 Ca 0.69 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2yqi s PRO 14 Cb -0.26 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2yqi s PRO 14 CO 0.30 -1.89 -0.04 -1.54 0.04 0.00 0.00 177.00 173.87 2yqi s SER 15 N -3.40 4.81 0.36 6.66 1.04 -1.26 -4.79 113.70 117.12 2yqi s SER 15 Ca 0.62 -0.23 0.24 0.00 0.48 0.00 0.00 55.95 57.07 2yqi s SER 15 Cb -0.17 -1.09 1.25 0.00 0.10 0.00 0.00 66.02 66.10 2yqi s SER 15 CO 0.56 0.19 1.36 0.61 0.98 0.00 0.00 173.24 176.95 2yqi n GLY 16 N 0.73 -0.70 0.28 7.32 0.00 -1.26 0.22 105.19 111.78 2yqi n GLY 16 Ca -0.12 0.68 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 1.04 0.34 1.61 3.57 -1.94 -3.04 116.94 118.52 2yqi h PHE 17 Ca 0.75 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 2yqi h PHE 17 Cb 2.26 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.73 2yqi h PHE 17 CO -0.01 0.95 -0.16 0.35 -2.23 0.00 0.00 178.31 177.21 2yqi h PHE 18 N 0.83 -0.43 -0.88 0.41 3.57 0.23 -2.69 116.94 117.99 2yqi h PHE 18 Ca 0.15 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 62.01 2yqi h PHE 18 Cb 0.54 0.14 -0.16 0.00 2.79 0.00 0.00 35.95 39.26 2yqi h PHE 18 CO 0.04 -0.16 0.45 1.28 -2.23 0.00 0.00 178.31 177.70 2yqi n LEU 19 N -5.09 0.29 0.00 0.59 4.77 -0.31 0.22 117.00 117.48 2yqi n LEU 19 Ca -0.07 1.47 -0.18 0.00 -0.03 0.00 0.00 56.01 57.19 2yqi n LEU 19 Cb 0.23 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2yqi n LEU 19 CO 0.20 -1.63 0.20 0.15 -1.33 0.00 0.00 177.39 174.97 2yqi h PHE 20 N 0.00 1.05 -0.85 -1.77 3.04 -1.56 -2.67 116.94 114.17 2yqi h PHE 20 Ca 0.74 -0.50 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 2yqi h PHE 20 Cb 1.94 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 40.27 2yqi h PHE 20 CO -0.03 1.34 0.43 0.00 -2.02 0.00 0.00 178.31 178.03 2yqi h SER 22 N 1.20 0.00 1.20 0.00 0.87 -0.87 0.61 113.55 116.57 2yqi h SER 22 Ca 0.29 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.72 2yqi h SER 22 Cb 0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2yqi h SER 22 CO -0.04 0.33 -0.84 -0.08 -0.53 0.00 0.00 176.83 175.67 2yqi h GLU 23 N 0.00 0.00 0.00 2.24 4.81 -1.00 -3.30 114.58 117.33 2yqi h GLU 23 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2yqi h GLU 23 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2yqi h GLU 23 CO 0.04 0.47 -1.36 1.19 -0.73 0.00 0.00 179.01 178.63 2yqi n PHE 24 N -3.13 0.32 -0.23 0.92 3.01 -0.04 -4.30 117.46 114.01 2yqi n PHE 24 Ca -0.02 0.09 0.03 0.00 1.01 0.00 0.00 57.45 58.56 2yqi n PHE 24 Cb 0.79 -0.55 0.15 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.38 -0.63 -1.08 2.43 -0.95 -2.04 114.38 112.48 2yqi h ARG 25 Ca 0.00 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 2yqi h ARG 25 Cb 0.87 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.22 2yqi h ARG 25 CO 0.00 0.25 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.27 2yqi h PRO 26 N 0.39 0.04 0.36 0.20 0.11 -1.75 0.63 132.00 131.98 2yqi h PRO 26 Ca 0.36 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.45 2yqi h PRO 26 Cb 0.52 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2yqi h PRO 26 CO -0.38 0.03 -0.17 0.87 -0.21 0.00 0.00 178.00 178.14 2yqi h LYS 27 N 0.04 -0.47 0.11 1.05 1.57 -1.65 -0.43 116.57 116.81 2yqi h LYS 27 Ca 0.32 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2yqi h LYS 27 Cb 0.50 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 2yqi h LYS 27 CO -0.61 -0.29 -0.41 0.82 -0.57 0.00 0.00 179.45 178.39 2yqi h ILE 28 N -0.52 0.17 0.00 1.86 2.04 -1.11 1.13 117.51 121.08 2yqi h ILE 28 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2yqi h ILE 28 Cb 0.39 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2yqi h ILE 28 CO 0.08 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.52 2yqi n LYS 29 N -5.46 0.16 -0.02 2.37 5.02 0.14 -0.71 118.16 119.66 2yqi n LYS 29 Ca -0.07 0.60 0.01 0.00 -2.02 0.00 0.00 58.31 56.83 2yqi n LYS 29 Cb 0.38 -1.96 -0.14 0.00 -0.02 0.00 0.00 35.03 33.29 2yqi n LYS 29 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2yqi n SER 30 N -2.28 0.27 0.00 4.39 2.88 0.38 -4.44 113.62 114.82 2yqi n SER 30 Ca -0.01 0.11 -0.21 0.00 -1.33 0.00 0.00 58.87 57.43 2yqi n SER 30 Cb 0.07 1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 64.50 2yqi n SER 30 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2yqi h THR 31 N 0.00 1.06 -3.83 2.46 1.35 0.27 -3.45 112.91 110.78 2yqi h THR 31 Ca -0.23 -2.40 -0.64 0.00 -0.55 0.00 0.00 66.41 62.59 2yqi h THR 31 Cb 1.57 2.73 -0.17 0.00 -1.73 0.00 0.00 68.15 70.56 2yqi h THR 31 CO 0.02 0.69 -0.45 0.20 -0.25 0.00 0.00 175.52 175.73 2yqi s ASN 32 N -7.00 6.08 0.21 5.36 0.01 0.12 -4.97 114.94 114.74 2yqi s ASN 32 Ca -0.20 -0.03 -0.03 0.00 -0.71 0.00 0.00 52.86 51.89 2yqi s ASN 32 Cb 0.04 -2.14 0.16 0.00 0.41 0.00 0.00 41.25 39.72 2yqi s ASN 32 CO 0.76 -0.12 1.56 1.55 -1.51 0.00 0.00 177.10 179.34 2yqi h PRO 33 N 8.36 0.61 -2.19 -0.60 0.13 -1.87 -3.35 132.00 133.10 2yqi h PRO 33 Ca -0.34 -0.32 -0.59 0.00 -0.87 0.00 0.00 66.00 63.88 2yqi h PRO 33 Cb 1.18 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.90 2yqi h PRO 33 CO 0.59 0.92 -0.69 0.41 -0.23 0.00 0.00 178.00 179.00 2yqi n GLY 34 N 0.04 4.79 3.42 1.56 0.00 -1.26 -5.05 105.19 108.69 2yqi n GLY 34 Ca -0.02 -2.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.06 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 -2.91 3.53 0.16 -0.61 2.07 -1.26 -5.11 121.20 117.08 2yqi s ILE 35 Ca 0.42 -0.48 -0.16 0.00 -1.41 0.00 0.00 60.65 59.03 2yqi s ILE 35 Cb 0.20 -2.54 -0.07 0.00 0.13 0.00 0.00 42.46 40.17 2yqi s ILE 35 CO -0.06 0.48 0.59 -0.55 -1.91 0.00 0.00 174.94 173.50 2yqi s SER 36 N 0.63 6.89 0.35 4.50 0.15 -1.26 -4.94 113.70 120.03 2yqi s SER 36 Ca -0.04 1.17 0.25 0.00 0.70 0.00 0.00 55.95 58.03 2yqi s SER 36 Cb -0.15 -2.32 1.22 0.00 -1.71 0.00 0.00 66.02 63.06 2yqi s SER 36 CO 0.03 0.09 1.31 -0.38 1.20 0.00 0.00 173.24 175.49 2yqi n ILE 37 N 0.83 -0.25 -0.09 6.45 5.41 -1.26 0.58 119.36 131.03 2yqi n ILE 37 Ca -0.05 1.56 -0.06 0.00 1.00 0.00 0.00 62.75 65.20 2yqi n ILE 37 Cb 0.52 -2.56 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 2yqi n ILE 37 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2yqi h GLY 38 N 0.00 0.07 0.63 7.39 0.00 -2.01 -2.10 103.07 107.05 2yqi h GLY 38 Ca 0.73 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 48.26 2yqi h GLY 38 CO -0.46 -0.18 -0.36 -1.80 0.00 0.00 0.00 176.54 173.75 2yqi h ASP 39 N -0.13 -0.88 -0.84 0.19 3.58 -0.25 -2.71 116.42 115.39 2yqi h ASP 39 Ca 0.17 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.78 2yqi h ASP 39 Cb 0.39 0.25 -0.13 0.00 1.72 0.00 0.00 39.33 41.56 2yqi h ASP 39 CO -0.41 -0.57 -0.36 0.52 -2.88 0.00 0.00 179.24 175.54 2yqi n VAL 40 N -4.63 -0.47 -0.15 2.25 0.31 -1.13 0.68 118.33 115.19 2yqi n VAL 40 Ca -0.11 1.98 -0.04 0.00 -0.01 0.00 0.00 64.34 66.16 2yqi n VAL 40 Cb 0.37 -2.57 0.03 0.00 -0.91 0.00 0.00 33.84 30.76 2yqi n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yqi h ALA 41 N 1.01 0.32 0.47 3.52 0.00 -1.30 -0.03 119.26 123.26 2yqi h ALA 41 Ca 0.26 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2yqi h ALA 41 Cb 0.47 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2yqi h ALA 41 CO -0.82 -0.44 -0.38 -0.22 0.00 0.00 0.00 179.25 177.39 2yqi h LYS 42 N 0.01 -0.80 -0.54 0.00 3.64 0.57 -2.12 116.57 117.33 2yqi h LYS 42 Ca 0.22 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 2yqi h LYS 42 Cb 0.34 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 2yqi h LYS 42 CO -0.47 -0.53 -0.34 0.87 -2.27 0.00 0.00 179.45 176.71 2yqi h LYS 43 N -0.83 -0.18 -0.53 1.90 1.57 -0.92 -1.47 116.57 116.11 2yqi h LYS 43 Ca -0.06 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2yqi h LYS 43 Cb 0.69 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.94 2yqi h LYS 43 CO 0.01 -0.12 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.25 2yqi h LEU 44 N -0.19 -1.53 -0.77 2.94 3.38 -0.87 0.27 115.31 118.53 2yqi h LEU 44 Ca 0.21 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.58 2yqi h LEU 44 Cb 0.55 0.68 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 2yqi h LEU 44 CO -0.64 -0.35 -0.20 1.23 0.09 0.00 0.00 178.44 178.57 2yqi h GLY 45 N -0.26 0.52 0.84 0.83 0.00 -0.58 0.84 103.07 105.26 2yqi h GLY 45 Ca 0.16 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 2yqi h GLY 45 CO -0.66 -0.29 -0.28 0.83 0.00 0.00 0.00 176.54 176.14 2yqi h GLU 46 N -0.01 -0.74 -0.97 4.80 4.39 -0.86 -2.25 114.58 118.95 2yqi h GLU 46 Ca 0.37 0.05 0.27 0.00 0.34 0.00 0.00 59.36 60.39 2yqi h GLU 46 Cb 0.57 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 29.25 2yqi h GLU 46 CO -0.80 -0.44 0.50 0.52 -1.16 0.00 0.00 179.01 177.63 2yqi h MET 47 N -0.94 0.38 0.62 2.33 2.86 -0.15 -0.32 114.93 119.71 2yqi h MET 47 Ca -0.08 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2yqi h MET 47 Cb 0.64 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.23 2yqi h MET 47 CO 0.13 0.25 -0.30 2.35 1.06 0.00 0.00 176.91 180.40 2yqi h TRP 48 N 0.39 -0.77 -1.14 -0.22 2.91 -0.71 -2.72 115.95 113.69 2yqi h TRP 48 Ca 0.65 -0.02 0.32 0.00 1.13 0.00 0.00 58.89 60.97 2yqi h TRP 48 Cb 1.37 0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 30.19 2yqi h TRP 48 CO -0.07 -0.48 0.76 -0.97 -1.03 0.00 0.00 178.44 176.66 2yqi h ASN 49 N -0.95 0.26 -0.55 2.65 -0.73 -0.73 0.31 115.58 115.85 2yqi h ASN 49 Ca -0.08 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 2yqi h ASN 49 Cb 0.64 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.22 2yqi h ASN 49 CO 0.14 0.02 0.26 0.78 -0.37 0.00 0.00 177.43 178.26 2yqi h ASN 50 N 0.22 0.72 -2.93 1.15 2.35 -0.91 -3.44 115.58 112.73 2yqi h ASN 50 Ca 0.62 -0.14 -0.55 0.00 -0.55 0.00 0.00 56.30 55.68 2yqi h ASN 50 Cb 1.93 -0.19 0.21 0.00 0.05 0.00 0.00 38.32 40.32 2yqi h ASN 50 CO -0.21 0.65 -0.80 0.18 -1.65 0.00 0.00 177.43 175.60 2yqi n LEU 51 N -4.56 -1.22 -4.93 1.61 4.77 0.11 -4.99 117.00 107.80 2yqi n LEU 51 Ca 0.03 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 2yqi n LEU 51 Cb 0.13 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 2yqi n LEU 51 CO 0.38 -3.99 -0.08 0.20 -1.33 0.00 0.00 177.39 172.56 2yqi s ASN 52 N -1.51 6.12 0.60 -1.43 0.01 -1.26 -4.94 114.94 112.53 2yqi s ASN 52 Ca 0.57 0.01 0.29 0.00 -0.71 0.00 0.00 52.86 53.02 2yqi s ASN 52 Cb -0.29 -1.75 1.49 0.00 0.41 0.00 0.00 41.25 41.11 2yqi s ASN 52 CO 0.66 -0.04 1.89 -0.78 -1.51 0.00 0.00 177.10 177.33 2yqi h ASP 53 N 1.44 0.00 0.86 -1.22 1.82 -1.97 0.44 116.42 117.80 2yqi h ASP 53 Ca -0.51 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 55.90 2yqi h ASP 53 Cb 1.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2yqi h ASP 53 CO 0.62 0.00 -1.13 -1.28 -1.61 0.00 0.00 179.24 175.84 2yqi h SER 54 N 0.00 0.10 0.57 2.28 0.87 -2.00 -2.72 113.55 112.64 2yqi h SER 54 Ca 0.18 -0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.40 2yqi h SER 54 Cb 1.10 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2yqi h SER 54 CO -0.00 1.09 -1.02 -0.33 -0.53 0.00 0.00 176.83 176.04 2yqi h GLU 55 N 0.02 0.26 0.00 2.24 4.39 -0.56 -3.20 114.58 117.72 2yqi h GLU 55 Ca -0.07 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 2yqi h GLU 55 Cb 1.84 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.59 2yqi h GLU 55 CO 0.14 1.08 -0.14 0.87 -1.16 0.00 0.00 179.01 179.80 2yqi h LYS 56 N 0.12 0.00 -0.60 2.33 1.57 -1.23 -3.34 116.57 115.43 2yqi h LYS 56 Ca -0.08 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2yqi h LYS 56 Cb 1.69 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.90 2yqi h LYS 56 CO 0.16 0.14 -0.51 1.96 -0.57 0.00 0.00 179.45 180.64 2yqi h GLN 57 N 0.00 -0.24 0.00 3.15 1.08 -1.48 0.80 115.11 118.43 2yqi h GLN 57 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2yqi h GLN 57 Cb 1.04 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2yqi h GLN 57 CO 0.02 -0.16 0.00 -0.35 -0.95 0.00 0.00 178.83 177.39 2yqi n PRO 58 N -5.37 0.06 -0.03 1.46 -0.04 -1.25 -2.15 135.00 127.67 2yqi n PRO 58 Ca 0.00 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2yqi n PRO 58 Cb 0.33 -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 -1.44 0.46 0.07 0.54 4.01 0.23 -4.02 117.16 117.01 2yqi n TYR 59 Ca 0.04 0.16 -0.20 0.00 -0.16 0.00 0.00 57.90 57.74 2yqi n TYR 59 Cb 0.15 -0.95 -0.15 0.00 -0.31 0.00 0.00 39.34 38.08 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 1.02 -0.55 -0.72 2.04 0.35 -3.33 117.51 116.32 2yqi h ILE 60 Ca -0.27 -2.63 0.03 0.00 1.00 0.00 0.00 64.86 62.99 2yqi h ILE 60 Cb 1.73 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 40.53 2yqi h ILE 60 CO 0.03 0.83 0.33 0.74 0.00 0.00 0.00 178.15 180.09 2yqi h THR 61 N 0.09 1.05 -0.67 -0.27 2.02 -1.63 -2.36 112.91 111.15 2yqi h THR 61 Ca -0.30 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 66.74 2yqi h THR 61 Cb 2.07 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.76 2yqi h THR 61 CO 0.17 0.12 0.33 0.50 0.37 0.00 0.00 175.52 177.01 2yqi h LYS 62 N 0.65 0.56 -0.42 6.66 3.64 -1.71 -1.98 116.57 123.97 2yqi h LYS 62 Ca 0.22 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2yqi h LYS 62 Cb 0.03 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2yqi h LYS 62 CO -0.10 0.37 0.23 0.00 -2.27 0.00 0.00 179.45 177.68 2yqi h ALA 63 N 1.40 0.53 -0.91 5.00 0.00 -1.54 -1.64 119.26 122.10 2yqi h ALA 63 Ca 0.33 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.48 2yqi h ALA 63 Cb 0.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2yqi h ALA 63 CO -0.25 -0.11 0.63 0.00 0.00 0.00 0.00 179.25 179.52 2yqi h ALA 64 N 1.20 2.58 -0.08 0.00 0.00 -0.97 -0.17 119.26 121.81 2yqi h ALA 64 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2yqi h ALA 64 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2yqi h ALA 64 CO -0.10 -0.86 -0.25 0.87 0.00 0.00 0.00 179.25 178.91 2yqi h LYS 65 N 0.17 0.31 -0.71 0.00 1.57 -1.14 -3.08 116.57 113.70 2yqi h LYS 65 Ca 0.46 -0.23 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2yqi h LYS 65 Cb 1.51 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.81 2yqi h LYS 65 CO -0.09 0.85 0.47 -0.07 -0.57 0.00 0.00 179.45 180.04 2yqi h LEU 66 N -0.17 0.55 -0.29 2.94 -0.00 -0.77 -1.84 115.31 115.74 2yqi h LEU 66 Ca -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2yqi h LEU 66 Cb 0.87 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2yqi h LEU 66 CO 0.05 0.33 0.09 0.50 -0.00 0.00 0.00 178.44 179.42 2yqi h LYS 67 N 0.61 0.44 -0.74 1.13 3.64 -1.36 -2.46 116.57 117.83 2yqi h LYS 67 Ca 0.33 -0.09 0.14 0.00 -1.27 0.00 0.00 60.65 59.75 2yqi h LYS 67 Cb 0.46 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.07 2yqi h LYS 67 CO -0.11 0.49 -0.26 0.93 -2.27 0.00 0.00 179.45 178.23 2yqi h GLU 68 N 0.30 -0.05 -0.50 1.90 5.08 -1.24 0.19 114.58 120.26 2yqi h GLU 68 Ca 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2yqi h GLU 68 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2yqi h GLU 68 CO -0.00 -0.03 0.12 0.87 -1.00 0.00 0.00 179.01 178.97 2yqi h LYS 69 N -0.05 0.80 -0.91 2.33 1.57 -1.53 -2.85 116.57 115.93 2yqi h LYS 69 Ca 0.33 -0.19 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2yqi h LYS 69 Cb 0.57 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2yqi h LYS 69 CO -0.78 0.77 0.56 -0.92 -0.57 0.00 0.00 179.45 178.51 2yqi h TYR 70 N 0.69 1.02 -0.95 -1.35 3.20 -0.29 -1.18 116.97 118.12 2yqi h TYR 70 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2yqi h TYR 70 Cb 0.33 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 2yqi h TYR 70 CO 0.02 0.46 0.63 0.93 -1.64 0.00 0.00 178.16 178.56 2yqi h GLU 71 N 0.96 1.21 0.49 1.82 5.08 -0.55 -0.53 114.58 123.05 2yqi h GLU 71 Ca 0.42 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2yqi h GLU 71 Cb 0.30 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2yqi h GLU 71 CO -0.22 0.80 -0.23 0.87 -1.00 0.00 0.00 179.01 179.23 2yqi h LYS 72 N 1.25 -0.63 -0.75 2.33 1.57 -1.11 -0.03 116.57 119.20 2yqi h LYS 72 Ca 0.36 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.24 2yqi h LYS 72 Cb -0.09 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2yqi h LYS 72 CO -0.09 -0.37 0.45 -0.44 -0.57 0.00 0.00 179.45 178.43 2yqi h ASP 73 N -0.76 0.69 -0.52 0.86 5.19 -1.26 -1.43 116.42 119.20 2yqi h ASP 73 Ca -0.07 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 2yqi h ASP 73 Cb 0.55 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 2yqi h ASP 73 CO 0.11 0.45 0.18 0.58 -3.12 0.00 0.00 179.24 177.44 2yqi h VAL 74 N 0.83 1.22 0.02 -1.35 2.07 -0.98 0.50 116.25 118.55 2yqi h VAL 74 Ca 0.32 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2yqi h VAL 74 Cb 0.15 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2yqi h VAL 74 CO -0.16 0.29 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 2yqi h ALA 75 N 1.36 -0.03 -0.26 1.67 0.00 -0.07 -2.71 119.26 119.22 2yqi h ALA 75 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2yqi h ALA 75 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2yqi h ALA 75 CO -0.01 -0.38 0.06 0.22 0.00 0.00 0.00 179.25 179.13 2yqi h ASP 76 N -0.29 0.40 -0.38 0.00 1.82 -1.16 -1.19 116.42 115.62 2yqi h ASP 76 Ca -0.00 -0.24 0.07 0.00 -0.39 0.00 0.00 57.03 56.47 2yqi h ASP 76 Cb 0.28 -0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.09 2yqi h ASP 76 CO 0.00 0.54 -0.39 0.22 -1.61 0.00 0.00 179.24 178.01 2yqi h TYR 77 N 0.25 -1.10 0.01 0.28 5.03 -0.90 -3.17 116.97 117.36 2yqi h TYR 77 Ca 0.08 0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2yqi h TYR 77 Cb 0.30 0.54 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2yqi h TYR 77 CO 0.02 -0.42 -0.00 0.87 -1.32 0.00 0.00 178.16 177.30 2yqi h LYS 78 N -0.31 -0.01 -4.26 1.82 1.57 -1.46 -3.47 116.57 110.46 2yqi h LYS 78 Ca 0.15 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.56 2yqi h LYS 78 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2yqi h LYS 78 CO -0.55 -0.01 -0.52 0.43 -0.57 0.00 0.00 179.45 178.24 2yqi n SER 79 N -2.04 -5.06 -4.74 0.86 7.64 -0.45 -4.92 113.62 104.90 2yqi n SER 79 Ca -0.00 -0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2yqi n SER 79 Cb 0.00 -4.17 -0.04 0.00 -1.01 0.00 0.00 64.21 59.00 2yqi n SER 79 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2yqi s LYS 80 N -5.49 4.55 0.00 1.43 3.01 -1.26 -5.12 119.74 116.85 2yqi s LYS 80 Ca 0.20 1.82 0.00 0.00 -1.01 0.00 0.00 55.97 56.98 2yqi s LYS 80 Cb -0.09 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.49 2yqi s LYS 80 CO 0.24 0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.53