#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 0.37 0.08 1.61 0.01 -1.26 -5.10 113.70 109.40 2yqi s SER 2 Ca 0.00 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2yqi s SER 2 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2yqi s SER 2 CO 0.00 -1.07 0.00 -1.54 0.41 0.00 0.00 173.24 171.04 2yqi n SER 3 N -0.68 0.56 0.00 2.44 3.41 -1.26 -5.11 113.62 112.98 2yqi n SER 3 Ca 0.01 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2yqi n SER 3 Cb 0.63 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2yqi n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqi n GLY 4 N 3.05 1.91 3.19 5.00 0.00 -1.26 -5.04 105.19 112.04 2yqi n GLY 4 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.54 -0.39 0.27 1.61 1.04 -1.26 -5.04 113.70 107.39 2yqi s SER 5 Ca 0.00 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2yqi s SER 5 Cb 0.00 0.68 0.64 0.00 0.10 0.00 0.00 66.02 67.44 2yqi s SER 5 CO 0.00 -0.19 1.39 -0.24 0.98 0.00 0.00 173.24 175.18 2yqi n SER 6 N 4.34 -0.13 0.00 7.02 2.88 -1.26 -4.87 113.62 121.60 2yqi n SER 6 Ca -0.23 1.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2yqi n SER 6 Cb 0.54 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2yqi n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqi n GLY 7 N -1.46 -0.66 0.08 0.46 0.00 -1.26 -5.00 105.19 97.34 2yqi n GLY 7 Ca 0.20 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 2yqi n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yqi h ASN 8 N 0.00 0.00 -3.27 1.61 2.35 -2.07 -3.46 115.58 110.74 2yqi h ASN 8 Ca 0.00 -0.68 -0.57 0.00 -0.55 0.00 0.00 56.30 54.50 2yqi h ASN 8 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2yqi h ASN 8 CO 0.00 1.08 -0.09 0.00 -1.65 0.00 0.00 177.43 176.77 2yqi s ALA 9 N -2.33 3.60 0.93 -0.83 0.00 -1.26 -5.08 121.76 116.79 2yqi s ALA 9 Ca -0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 2yqi s ALA 9 Cb 0.00 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 20.75 2yqi s ALA 9 CO 0.56 0.45 1.09 -1.25 0.00 0.00 0.00 175.76 176.61 2yqi s PRO 10 N -1.72 1.00 -0.06 0.00 0.04 -1.26 -5.06 135.00 127.93 2yqi s PRO 10 Ca 0.35 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.15 2yqi s PRO 10 Cb -0.16 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2yqi s PRO 10 CO 0.19 -2.39 -0.17 0.15 0.04 0.00 0.00 177.00 174.82 2yqi s LYS 11 N -4.95 2.59 0.30 4.56 1.02 -1.26 -5.07 119.74 116.94 2yqi s LYS 11 Ca 0.64 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 2yqi s LYS 11 Cb -0.18 -2.35 -0.16 0.00 -0.52 0.00 0.00 37.83 34.61 2yqi s LYS 11 CO 0.57 0.53 0.32 0.54 -0.92 0.00 0.00 175.35 176.39 2yqi n ARG 12 N 2.57 0.03 -2.26 1.68 1.74 -1.26 -4.88 116.66 114.28 2yqi n ARG 12 Ca -0.17 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.55 2yqi n ARG 12 Cb 0.52 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.94 2yqi n ARG 12 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yqi s PRO 13 N -1.02 3.62 0.46 5.56 0.04 -1.26 -5.01 135.00 137.39 2yqi s PRO 13 Ca 0.62 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 2yqi s PRO 13 Cb -0.78 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 2yqi s PRO 13 CO 0.59 -0.66 1.16 -1.25 0.04 0.00 0.00 177.00 176.89 2yqi s PRO 14 N -2.91 3.77 0.24 0.56 0.04 -1.26 -5.03 135.00 130.42 2yqi s PRO 14 Ca 0.67 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 2yqi s PRO 14 Cb -0.27 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2yqi s PRO 14 CO 0.32 -0.54 0.47 -1.12 0.04 0.00 0.00 177.00 176.17 2yqi s SER 15 N -1.35 6.42 0.54 6.66 0.01 -1.26 -4.76 113.70 119.95 2yqi s SER 15 Ca 0.63 0.56 0.39 0.00 1.31 0.00 0.00 55.95 58.84 2yqi s SER 15 Cb -0.29 -2.08 1.35 0.00 0.21 0.00 0.00 66.02 65.22 2yqi s SER 15 CO 0.35 -0.12 1.37 0.61 0.41 0.00 0.00 173.24 175.86 2yqi n GLY 16 N -0.78 -0.85 0.15 3.44 0.00 -1.25 0.22 105.19 106.12 2yqi n GLY 16 Ca -0.03 0.54 -0.24 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 0.93 -0.05 1.61 3.57 -1.92 -3.00 116.94 118.08 2yqi h PHE 17 Ca 0.73 -0.68 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2yqi h PHE 17 Cb 3.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 41.95 2yqi h PHE 17 CO 0.00 1.57 -0.37 0.35 -2.23 0.00 0.00 178.31 177.62 2yqi h PHE 18 N 0.14 0.11 0.12 0.41 3.04 0.24 -2.29 116.94 118.71 2yqi h PHE 18 Ca -0.26 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.66 2yqi h PHE 18 Cb 2.16 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.64 2yqi h PHE 18 CO 0.12 0.46 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.74 2yqi h LEU 19 N 0.08 -0.14 -1.29 0.59 3.38 -1.25 -2.69 115.31 113.99 2yqi h LEU 19 Ca 0.01 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.28 2yqi h LEU 19 Cb 0.70 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 2yqi h LEU 19 CO 0.05 -0.01 0.68 0.15 0.09 0.00 0.00 178.44 179.40 2yqi h PHE 20 N -0.35 0.71 0.74 1.13 3.04 -1.61 0.28 116.94 120.87 2yqi h PHE 20 Ca -0.02 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 2yqi h PHE 20 Cb 0.13 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 38.45 2yqi h PHE 20 CO 0.06 -0.00 -0.35 0.00 -2.02 0.00 0.00 178.31 176.00 2yqi h SER 22 N -1.04 0.00 0.72 0.00 0.87 -0.82 0.47 113.55 113.76 2yqi h SER 22 Ca -0.10 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.21 2yqi h SER 22 Cb 0.77 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 2yqi h SER 22 CO 0.17 0.00 -1.40 -0.08 -0.53 0.00 0.00 176.83 174.98 2yqi h GLU 23 N 0.00 0.00 0.00 2.24 4.57 -0.10 -3.35 114.58 117.94 2yqi h GLU 23 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2yqi h GLU 23 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2yqi h GLU 23 CO 0.00 0.63 -1.47 1.19 -1.18 0.00 0.00 179.01 178.18 2yqi n PHE 24 N -3.13 0.23 -0.21 0.92 3.01 0.19 -4.33 117.46 114.13 2yqi n PHE 24 Ca -0.10 0.07 0.01 0.00 1.01 0.00 0.00 57.45 58.43 2yqi n PHE 24 Cb 0.98 -0.50 0.12 0.00 -0.01 0.00 0.00 39.48 40.07 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 0.42 -0.66 -1.08 2.43 -0.20 -2.21 114.38 113.08 2yqi h ARG 25 Ca 0.00 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2yqi h ARG 25 Cb 0.87 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.21 2yqi h ARG 25 CO 0.00 0.28 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.35 2yqi h PRO 26 N 0.43 0.08 -0.33 0.20 0.11 -1.75 -0.64 132.00 130.10 2yqi h PRO 26 Ca 0.32 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 2yqi h PRO 26 Cb 0.40 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2yqi h PRO 26 CO -0.31 0.05 0.14 0.87 -0.21 0.00 0.00 178.00 178.54 2yqi h LYS 27 N 0.08 0.50 -0.27 1.05 1.57 -1.68 -2.36 116.57 115.46 2yqi h LYS 27 Ca 0.35 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 2yqi h LYS 27 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2yqi h LYS 27 CO -0.60 0.49 0.19 0.82 -0.57 0.00 0.00 179.45 179.78 2yqi h ILE 28 N 0.39 0.90 0.00 1.86 2.04 -0.88 0.57 117.51 122.39 2yqi h ILE 28 Ca 0.11 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2yqi h ILE 28 Cb 0.18 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2yqi h ILE 28 CO -0.01 0.01 -0.09 0.11 0.00 0.00 0.00 178.15 178.18 2yqi h LYS 29 N 0.07 0.00 0.00 2.37 1.57 -0.67 -1.39 116.57 118.52 2yqi h LYS 29 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.70 2yqi h LYS 29 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2yqi h LYS 29 CO -0.01 0.09 -1.98 -1.13 -0.57 0.00 0.00 179.45 175.85 2yqi n SER 30 N -3.14 0.27 0.02 0.86 3.41 0.40 -4.44 113.62 111.00 2yqi n SER 30 Ca 0.03 0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.55 2yqi n SER 30 Cb 0.52 1.02 -0.14 0.00 -0.26 0.00 0.00 64.21 65.34 2yqi n SER 30 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2yqi h THR 31 N 0.00 1.16 -3.32 6.66 1.35 -0.03 -3.45 112.91 115.27 2yqi h THR 31 Ca -0.28 -2.44 -0.57 0.00 -0.55 0.00 0.00 66.41 62.58 2yqi h THR 31 Cb 1.69 2.84 -0.07 0.00 -1.73 0.00 0.00 68.15 70.88 2yqi h THR 31 CO 0.03 0.70 -0.08 0.20 -0.25 0.00 0.00 175.52 176.12 2yqi s ASN 32 N -7.02 6.79 0.07 5.36 0.02 -0.53 -5.04 114.94 114.59 2yqi s ASN 32 Ca -0.18 0.94 -0.31 0.00 -1.02 0.00 0.00 52.86 52.29 2yqi s ASN 32 Cb 0.03 -2.32 -0.07 0.00 0.02 0.00 0.00 41.25 38.91 2yqi s ASN 32 CO 0.78 0.00 1.39 -2.16 0.02 0.00 0.00 177.10 177.14 2yqi s PRO 33 N 0.49 4.31 -1.04 -0.60 0.04 -1.26 -3.68 135.00 133.26 2yqi s PRO 33 Ca 0.29 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.32 2yqi s PRO 33 Cb -0.16 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2yqi s PRO 33 CO 0.13 -0.49 0.07 0.41 0.04 0.00 0.00 177.00 177.16 2yqi n GLY 34 N 3.55 -0.15 3.73 0.56 0.00 -1.26 -4.80 105.19 106.81 2yqi n GLY 34 Ca 0.12 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.96 3.49 0.35 -0.61 2.07 -1.24 -5.01 121.20 116.29 2yqi s ILE 35 Ca 0.05 1.15 -0.23 0.00 -1.41 0.00 0.00 60.65 60.20 2yqi s ILE 35 Cb -0.03 -3.73 -0.10 0.00 0.13 0.00 0.00 42.46 38.73 2yqi s ILE 35 CO 0.69 0.13 0.92 -0.55 -1.91 0.00 0.00 174.94 174.22 2yqi s SER 36 N 0.66 7.15 0.35 4.50 0.15 -1.26 -4.90 113.70 120.34 2yqi s SER 36 Ca 0.58 1.72 0.14 0.00 0.70 0.00 0.00 55.95 59.10 2yqi s SER 36 Cb -0.34 -2.54 1.04 0.00 -1.71 0.00 0.00 66.02 62.47 2yqi s SER 36 CO 0.34 -0.17 1.70 0.40 1.20 0.00 0.00 173.24 176.71 2yqi h ILE 37 N 2.34 0.41 -0.87 6.45 2.04 -2.01 0.36 117.51 126.24 2yqi h ILE 37 Ca -0.48 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2yqi h ILE 37 Cb 1.19 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2yqi h ILE 37 CO 0.64 0.08 0.55 1.23 0.00 0.00 0.00 178.15 180.64 2yqi h GLY 38 N 0.41 1.24 0.36 5.37 0.00 -2.00 -2.76 103.07 105.69 2yqi h GLY 38 Ca 0.69 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2yqi h GLY 38 CO -0.50 0.48 -0.17 -0.55 0.00 0.00 0.00 176.54 175.80 2yqi h ASP 39 N 1.19 -0.41 -0.89 0.19 5.19 -0.65 -3.03 116.42 118.01 2yqi h ASP 39 Ca 0.31 0.01 0.23 0.00 -0.62 0.00 0.00 57.03 56.97 2yqi h ASP 39 Cb -0.09 0.10 -0.17 0.00 0.18 0.00 0.00 39.33 39.36 2yqi h ASP 39 CO -0.06 -0.22 -0.04 0.52 -3.12 0.00 0.00 179.24 176.33 2yqi n VAL 40 N -3.71 -0.38 -0.36 -1.35 0.31 -1.01 0.20 118.33 112.03 2yqi n VAL 40 Ca -0.06 1.99 0.06 0.00 -0.01 0.00 0.00 64.34 66.31 2yqi n VAL 40 Cb 0.19 -2.87 0.22 0.00 -0.91 0.00 0.00 33.84 30.47 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 1.79 1.47 -0.12 3.52 0.00 -1.50 0.36 119.26 124.78 2yqi h ALA 41 Ca 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 2yqi h ALA 41 Cb 1.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2yqi h ALA 41 CO -0.86 0.29 0.04 -0.22 0.00 0.00 0.00 179.25 178.50 2yqi h LYS 42 N 1.05 0.18 0.61 0.00 1.63 0.24 -3.09 116.57 117.19 2yqi h LYS 42 Ca 0.47 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 2yqi h LYS 42 Cb 0.38 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2yqi h LYS 42 CO -0.24 0.31 -0.29 0.87 -3.45 0.00 0.00 179.45 176.65 2yqi h LYS 43 N 0.02 -0.79 -0.77 1.90 1.57 -0.77 -3.16 116.57 114.57 2yqi h LYS 43 Ca 0.04 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2yqi h LYS 43 Cb 0.20 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.59 2yqi h LYS 43 CO -0.00 -0.50 -0.40 1.28 -0.57 0.00 0.00 179.45 179.26 2yqi n LEU 44 N -5.41 -0.70 -0.10 2.94 4.77 0.06 -0.77 117.00 117.79 2yqi n LEU 44 Ca -0.13 1.36 -0.09 0.00 -0.03 0.00 0.00 56.01 57.12 2yqi n LEU 44 Cb 0.35 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2yqi n LEU 44 CO 0.36 -1.15 0.50 1.23 -1.33 0.00 0.00 177.39 177.00 2yqi h GLY 45 N 0.00 -1.33 -0.21 -0.72 0.00 -1.50 -0.44 103.07 98.86 2yqi h GLY 45 Ca 0.18 0.77 0.17 0.00 0.00 0.00 0.00 47.33 48.45 2yqi h GLY 45 CO -0.74 -0.33 0.13 0.83 0.00 0.00 0.00 176.54 176.43 2yqi h GLU 46 N -0.26 0.20 0.37 4.80 4.39 -0.96 -1.83 114.58 121.29 2yqi h GLU 46 Ca 0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2yqi h GLU 46 Cb 0.39 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2yqi h GLU 46 CO -0.40 0.13 -0.49 0.52 -1.16 0.00 0.00 179.01 177.61 2yqi h MET 47 N 0.20 -0.85 -0.82 2.33 2.86 0.10 0.61 114.93 119.36 2yqi h MET 47 Ca 0.43 0.06 0.17 0.00 -2.06 0.00 0.00 59.70 58.30 2yqi h MET 47 Cb 0.76 0.19 -0.15 0.00 0.06 0.00 0.00 31.60 32.47 2yqi h MET 47 CO -0.58 -0.57 -0.14 2.35 1.06 0.00 0.00 176.91 179.03 2yqi h TRP 48 N -0.89 -0.32 -0.36 -0.22 2.91 -0.33 0.20 115.95 116.95 2yqi h TRP 48 Ca -0.04 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2yqi h TRP 48 Cb 0.80 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2yqi h TRP 48 CO -0.30 -0.34 0.20 -0.97 -1.03 0.00 0.00 178.44 176.00 2yqi h ASN 49 N 0.02 0.45 -0.91 2.65 -0.73 -0.98 -2.44 115.58 113.64 2yqi h ASN 49 Ca 0.42 -0.09 0.18 0.00 1.87 0.00 0.00 56.30 58.68 2yqi h ASN 49 Cb 0.68 -0.11 -0.07 0.00 0.27 0.00 0.00 38.32 39.08 2yqi h ASN 49 CO -0.81 0.41 0.59 0.78 -0.37 0.00 0.00 177.43 178.03 2yqi h ASN 50 N 0.46 0.54 -4.17 1.15 2.35 0.17 -3.42 115.58 112.65 2yqi h ASN 50 Ca 0.13 0.05 -0.54 0.00 -0.55 0.00 0.00 56.30 55.38 2yqi h ASN 50 Cb 0.06 -0.05 0.17 0.00 0.05 0.00 0.00 38.32 38.55 2yqi h ASN 50 CO -0.02 0.23 0.40 -0.76 -1.65 0.00 0.00 177.43 175.63 2yqi s LEU 51 N -9.67 3.30 0.25 1.61 1.43 -0.59 -5.03 118.68 109.99 2yqi s LEU 51 Ca -0.09 2.44 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 2yqi s LEU 51 Cb 0.23 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 2yqi s LEU 51 CO 0.79 -2.40 0.20 0.20 0.23 0.00 0.00 176.35 175.37 2yqi s ASN 52 N -1.90 5.55 0.27 2.29 0.01 -1.26 -4.92 114.94 114.97 2yqi s ASN 52 Ca 0.76 -0.24 -0.04 0.00 -0.71 0.00 0.00 52.86 52.63 2yqi s ASN 52 Cb -0.31 -1.42 0.54 0.00 0.41 0.00 0.00 41.25 40.47 2yqi s ASN 52 CO 0.46 -0.04 1.61 0.44 -1.51 0.00 0.00 177.10 178.06 2yqi h ASP 53 N 1.49 -0.43 -0.17 -1.22 5.19 -1.96 1.08 116.42 120.40 2yqi h ASP 53 Ca -0.49 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2yqi h ASP 53 Cb 1.24 0.41 -0.01 0.00 0.18 0.00 0.00 39.33 41.15 2yqi h ASP 53 CO 0.61 -0.25 0.08 0.28 -3.12 0.00 0.00 179.24 176.85 2yqi h SER 54 N 0.07 0.25 0.13 6.45 0.02 -1.99 0.58 113.55 119.05 2yqi h SER 54 Ca 0.48 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 61.16 2yqi h SER 54 Cb 0.89 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.38 2yqi h SER 54 CO -0.78 0.23 -1.03 -0.33 -1.14 0.00 0.00 176.83 173.78 2yqi h GLU 55 N 0.28 0.60 0.00 3.45 5.08 0.69 -3.23 114.58 121.46 2yqi h GLU 55 Ca 0.07 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 2yqi h GLU 55 Cb 0.06 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2yqi h GLU 55 CO -0.01 1.26 -0.18 0.87 -1.00 0.00 0.00 179.01 179.95 2yqi h LYS 56 N 0.33 0.00 -0.75 2.33 1.57 -0.18 -3.36 116.57 116.52 2yqi h LYS 56 Ca -0.12 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2yqi h LYS 56 Cb 1.68 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.88 2yqi h LYS 56 CO 0.19 0.13 -0.52 1.96 -0.57 0.00 0.00 179.45 180.64 2yqi h GLN 57 N 0.00 -0.15 0.00 3.15 1.08 0.14 1.07 115.11 120.39 2yqi h GLN 57 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2yqi h GLN 57 Cb 1.10 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2yqi h GLN 57 CO 0.02 -0.10 0.00 -0.35 -0.95 0.00 0.00 178.83 177.45 2yqi n PRO 58 N -5.35 0.01 -0.02 1.46 -0.04 -1.26 -1.54 135.00 128.26 2yqi n PRO 58 Ca 0.02 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 2yqi n PRO 58 Cb 0.32 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.49 0.47 -0.01 0.54 4.01 0.31 -3.86 117.16 117.12 2yqi n TYR 59 Ca 0.04 0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.71 2yqi n TYR 59 Cb 0.16 -0.94 -0.14 0.00 -0.31 0.00 0.00 39.34 38.12 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 0.75 -0.03 -0.72 2.04 0.65 -3.32 117.51 116.88 2yqi h ILE 60 Ca -0.25 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.25 2yqi h ILE 60 Cb 1.68 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 40.26 2yqi h ILE 60 CO 0.03 0.78 -0.08 0.74 0.00 0.00 0.00 178.15 179.62 2yqi h THR 61 N -0.15 1.08 -0.51 -0.27 2.02 -1.49 -2.23 112.91 111.36 2yqi h THR 61 Ca -0.39 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 2yqi h THR 61 Cb 1.89 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 2yqi h THR 61 CO 0.04 0.10 -0.08 0.50 0.37 0.00 0.00 175.52 176.46 2yqi h LYS 62 N 0.04 0.94 -0.12 6.66 3.64 -1.71 -2.90 116.57 123.13 2yqi h LYS 62 Ca 0.01 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.96 2yqi h LYS 62 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2yqi h LYS 62 CO 0.01 1.00 -0.31 0.00 -2.27 0.00 0.00 179.45 177.88 2yqi h ALA 63 N 0.91 1.26 -0.93 5.00 0.00 -1.53 -2.95 119.26 121.02 2yqi h ALA 63 Ca 0.13 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.86 2yqi h ALA 63 Cb 0.63 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2yqi h ALA 63 CO 0.04 0.50 0.53 0.00 0.00 0.00 0.00 179.25 180.32 2yqi h ALA 64 N 1.48 1.45 -0.44 0.00 0.00 -1.25 -0.75 119.26 119.75 2yqi h ALA 64 Ca 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2yqi h ALA 64 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2yqi h ALA 64 CO 0.05 -0.02 -0.03 0.87 0.00 0.00 0.00 179.25 180.12 2yqi h LYS 65 N 0.74 0.80 -0.88 0.00 6.56 -1.58 -2.92 116.57 119.28 2yqi h LYS 65 Ca 0.51 -0.27 0.09 0.00 -1.06 0.00 0.00 60.65 59.92 2yqi h LYS 65 Cb 0.71 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.24 2yqi h LYS 65 CO -0.35 0.88 0.57 -0.07 -2.06 0.00 0.00 179.45 178.42 2yqi h LEU 66 N 0.64 0.81 -0.65 2.94 3.38 -1.19 -1.67 115.31 119.56 2yqi h LEU 66 Ca 0.12 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2yqi h LEU 66 Cb 0.53 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2yqi h LEU 66 CO 0.03 0.48 0.31 0.50 0.09 0.00 0.00 178.44 179.85 2yqi h LYS 67 N 0.89 0.53 -0.71 1.13 3.64 -1.18 -1.54 116.57 119.34 2yqi h LYS 67 Ca 0.40 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.85 2yqi h LYS 67 Cb 0.37 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 2yqi h LYS 67 CO -0.17 0.35 0.34 0.93 -2.27 0.00 0.00 179.45 178.63 2yqi h GLU 68 N 0.54 0.55 -0.76 1.90 4.39 -1.34 0.61 114.58 120.47 2yqi h GLU 68 Ca 0.32 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 2yqi h GLU 68 Cb 0.32 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2yqi h GLU 68 CO -0.25 0.36 0.31 0.87 -1.16 0.00 0.00 179.01 179.13 2yqi h LYS 69 N 0.56 1.13 0.45 2.33 1.79 -1.28 -2.96 116.57 118.59 2yqi h LYS 69 Ca 0.35 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2yqi h LYS 69 Cb 0.40 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2yqi h LYS 69 CO -0.29 0.92 -0.21 -0.92 -1.08 0.00 0.00 179.45 177.86 2yqi h TYR 70 N 1.09 -0.56 -1.30 -1.35 3.20 -0.55 -1.88 116.97 115.63 2yqi h TYR 70 Ca 0.25 -0.01 0.44 0.00 3.14 0.00 0.00 58.73 62.55 2yqi h TYR 70 Cb 0.21 0.18 -0.12 0.00 1.54 0.00 0.00 36.73 38.54 2yqi h TYR 70 CO 0.02 -0.35 0.85 0.39 -1.64 0.00 0.00 178.16 177.43 2yqi n GLU 71 N -4.16 -0.03 0.04 1.82 1.02 0.09 -0.15 120.64 119.27 2yqi n GLU 71 Ca -0.07 1.11 -0.02 0.00 -0.02 0.00 0.00 57.16 58.15 2yqi n GLU 71 Cb 0.24 -2.23 -0.01 0.00 -0.02 0.00 0.00 31.44 29.42 2yqi n GLU 71 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2yqi h LYS 72 N 0.00 -0.14 -1.22 3.49 3.64 -1.42 -2.96 116.57 117.96 2yqi h LYS 72 Ca 0.80 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 60.54 2yqi h LYS 72 Cb 2.65 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 34.46 2yqi h LYS 72 CO -0.37 -0.09 0.91 0.22 -2.27 0.00 0.00 179.45 177.85 2yqi h ASP 73 N -0.45 0.00 -0.23 4.20 3.58 -0.15 0.39 116.42 123.76 2yqi h ASP 73 Ca -0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 2yqi h ASP 73 Cb 0.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2yqi h ASP 73 CO 0.02 0.00 -0.15 0.58 -2.88 0.00 0.00 179.24 176.81 2yqi h VAL 74 N 0.00 1.31 -0.16 2.25 2.07 -0.62 -2.76 116.25 118.35 2yqi h VAL 74 Ca 0.58 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 2yqi h VAL 74 Cb 2.39 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2yqi h VAL 74 CO -0.01 0.39 -0.34 0.00 0.02 0.00 0.00 177.57 177.63 2yqi h ALA 75 N 0.69 0.26 0.00 1.67 0.00 -0.14 -2.96 119.26 118.78 2yqi h ALA 75 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2yqi h ALA 75 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2yqi h ALA 75 CO 0.04 0.31 0.03 -0.44 0.00 0.00 0.00 179.25 179.19 2yqi h ASP 76 N 0.15 0.00 0.57 0.00 3.32 -1.05 0.18 116.42 119.58 2yqi h ASP 76 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2yqi h ASP 76 Cb 0.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2yqi h ASP 76 CO 0.07 0.00 -0.27 0.22 -1.72 0.00 0.00 179.24 177.54 2yqi h TYR 77 N 0.00 0.00 0.00 4.55 3.20 -1.31 -3.20 116.97 120.21 2yqi h TYR 77 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 2yqi h TYR 77 Cb 0.06 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2yqi h TYR 77 CO 0.00 0.27 -1.99 1.63 -1.64 0.00 0.00 178.16 176.44 2yqi n LYS 78 N -3.71 0.41 -3.74 1.82 4.76 -0.12 -4.83 118.16 112.75 2yqi n LYS 78 Ca -0.01 0.12 -0.35 0.00 -2.87 0.00 0.00 58.31 55.21 2yqi n LYS 78 Cb 0.38 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.21 2yqi n LYS 78 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2yqi s SER 79 N -6.01 5.34 -0.42 4.39 0.15 -0.21 -5.05 113.70 111.89 2yqi s SER 79 Ca -0.24 -3.29 -0.28 0.00 0.70 0.00 0.00 55.95 52.84 2yqi s SER 79 Cb 0.07 -1.83 -0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2yqi s SER 79 CO 0.37 -0.26 1.61 -0.54 1.20 0.00 0.00 173.24 175.62 2yqi s LYS 80 N -0.70 3.34 0.00 5.44 3.01 -1.21 -4.32 119.74 125.30 2yqi s LYS 80 Ca 0.21 1.02 0.00 0.00 -1.01 0.00 0.00 55.97 56.19 2yqi s LYS 80 Cb -0.14 -4.15 0.00 0.00 -1.01 0.00 0.00 37.83 32.53 2yqi s LYS 80 CO -0.08 -1.86 0.00 0.41 0.51 0.00 0.00 175.35 174.33