#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu4 n SER 2 N 0.00 -6.99 -4.15 1.61 2.88 -1.26 -5.03 113.62 100.68 2yu4 n SER 2 Ca 0.00 -0.47 -0.26 0.00 -1.33 0.00 0.00 58.87 56.81 2yu4 n SER 2 Cb 0.00 -4.99 -0.16 0.00 -0.75 0.00 0.00 64.21 58.31 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu4 s SER 3 N -3.21 2.19 -0.24 -3.46 0.15 -1.26 -5.12 113.70 102.74 2yu4 s SER 3 Ca 0.25 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 2yu4 s SER 3 Cb -0.04 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 2yu4 s SER 3 CO 0.76 0.17 0.27 -0.83 1.20 0.00 0.00 173.24 174.81 2yu4 s GLY 4 N -0.06 1.98 0.55 9.45 0.00 -1.26 -5.06 107.32 112.92 2yu4 s GLY 4 Ca -0.02 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 2yu4 s GLY 4 CO 0.02 0.68 1.07 -1.14 0.00 0.00 0.00 173.10 173.72 2yu4 n SER 5 N 4.71 1.34 -4.40 1.64 3.41 -1.26 -4.93 113.62 114.14 2yu4 n SER 5 Ca -0.12 0.90 -0.44 0.00 -0.26 0.00 0.00 58.87 58.95 2yu4 n SER 5 Cb 0.51 -1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 62.99 2yu4 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yu4 s SER 6 N -1.05 6.19 1.38 4.04 1.04 -1.26 -4.91 113.70 119.13 2yu4 s SER 6 Ca 0.72 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2yu4 s SER 6 Cb -0.45 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2yu4 s SER 6 CO 0.50 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2yu4 n GLY 7 N 5.28 2.90 2.65 7.32 0.00 -1.26 -4.59 105.19 117.49 2yu4 n GLY 7 Ca -0.08 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2yu4 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yu4 s PHE 8 N 0.00 0.13 -0.02 1.61 0.08 -1.26 -5.13 117.98 113.38 2yu4 s PHE 8 Ca 0.00 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.15 2yu4 s PHE 8 Cb 0.00 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.86 2yu4 s PHE 8 CO 0.00 -0.32 -0.25 0.95 -0.10 0.00 0.00 175.22 175.50 2yu4 s THR 9 N 2.15 2.12 -0.06 0.64 -4.23 -1.26 -2.30 115.64 112.70 2yu4 s THR 9 Ca 0.04 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 2yu4 s THR 9 Cb -0.14 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 2yu4 s THR 9 CO -0.05 0.58 0.75 0.00 -0.54 0.00 0.00 174.62 175.36 2yu4 n PRO 11 N 3.82 0.08 -0.05 0.00 -0.04 -1.26 -0.12 135.00 137.43 2yu4 n PRO 11 Ca 0.00 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2yu4 n PRO 11 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2yu4 n PRO 11 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2yu4 n ILE 12 N -1.42 0.83 0.25 0.52 5.41 -1.26 -4.59 119.36 119.10 2yu4 n ILE 12 Ca 0.05 0.30 0.14 0.00 1.00 0.00 0.00 62.75 64.24 2yu4 n ILE 12 Cb 0.15 -1.97 0.50 0.00 -0.71 0.00 0.00 39.64 37.60 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2yu4 h THR 13 N -0.56 0.15 -5.01 1.39 1.35 -1.97 -3.47 112.91 104.79 2yu4 h THR 13 Ca 0.00 -0.82 -0.32 0.00 -0.55 0.00 0.00 66.41 64.73 2yu4 h THR 13 Cb 0.54 1.71 0.12 0.00 -1.73 0.00 0.00 68.15 68.80 2yu4 h THR 13 CO 0.00 0.06 -0.58 0.29 -0.25 0.00 0.00 175.52 175.04 2yu4 n LYS 14 N -3.16 -6.31 -3.97 4.72 4.76 0.83 -5.00 118.16 110.03 2yu4 n LYS 14 Ca 0.01 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 2yu4 n LYS 14 Cb 0.40 -5.30 -0.04 0.00 -1.84 0.00 0.00 35.03 28.25 2yu4 n LYS 14 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2yu4 s GLU 15 N -5.83 1.71 0.45 1.97 -1.05 -1.24 -4.89 118.70 109.83 2yu4 s GLU 15 Ca 0.35 -1.30 -0.24 0.00 -0.15 0.00 0.00 54.97 53.64 2yu4 s GLU 15 Cb -0.16 0.51 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 2yu4 s GLU 15 CO 0.60 -0.73 1.12 -1.91 0.95 0.00 0.00 175.26 175.29 2yu4 n GLU 16 N -0.43 1.53 -3.97 -4.83 2.13 -1.26 -1.15 120.64 112.65 2yu4 n GLU 16 Ca -0.02 0.55 -0.35 0.00 0.66 0.00 0.00 57.16 58.00 2yu4 n GLU 16 Cb 0.61 -2.22 -0.06 0.00 0.27 0.00 0.00 31.44 30.05 2yu4 n GLU 16 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2yu4 s MET 17 N -2.23 3.33 -0.11 5.31 -1.94 -0.98 -4.79 119.30 117.90 2yu4 s MET 17 Ca 0.64 -0.29 0.05 0.00 -1.71 0.00 0.00 55.69 54.39 2yu4 s MET 17 Cb -0.51 -3.06 -0.10 0.00 2.01 0.00 0.00 34.83 33.17 2yu4 s MET 17 CO 0.56 0.71 -0.03 1.63 -0.01 0.00 0.00 175.02 177.87 2yu4 n LYS 18 N 1.49 1.44 -3.83 2.03 4.76 -1.26 -4.84 118.16 117.94 2yu4 n LYS 18 Ca -0.15 0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.03 2yu4 n LYS 18 Cb 0.54 -1.24 -0.12 0.00 -1.84 0.00 0.00 35.03 32.36 2yu4 n LYS 18 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2yu4 s LYS 19 N -2.24 2.09 0.10 1.97 3.01 -1.26 -5.02 119.74 118.40 2yu4 s LYS 19 Ca -0.10 -2.96 -0.31 0.00 -1.01 0.00 0.00 55.97 51.59 2yu4 s LYS 19 Cb 0.03 -3.07 -0.07 0.00 -1.01 0.00 0.00 37.83 33.71 2yu4 s LYS 19 CO 0.34 -1.26 1.37 -1.25 0.51 0.00 0.00 175.35 175.06 2yu4 s PRO 20 N -0.92 4.33 -0.07 -1.68 0.04 -1.26 -1.10 135.00 134.34 2yu4 s PRO 20 Ca 0.24 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2yu4 s PRO 20 Cb -0.09 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2yu4 s PRO 20 CO -0.13 -0.43 -0.14 0.14 0.04 0.00 0.00 177.00 176.48 2yu4 s VAL 21 N 1.22 1.28 0.11 -0.36 -7.23 0.89 -3.04 120.40 113.27 2yu4 s VAL 21 Ca 0.64 -0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 2yu4 s VAL 21 Cb -0.36 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 2yu4 s VAL 21 CO 0.30 0.39 0.32 -0.75 -0.31 0.00 0.00 175.10 175.05 2yu4 s LYS 22 N 0.64 3.56 0.30 4.82 2.20 -0.01 -1.23 119.74 130.03 2yu4 s LYS 22 Ca -0.15 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2yu4 s LYS 22 Cb -0.16 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 2yu4 s LYS 22 CO 0.04 0.52 0.48 1.21 -0.36 0.00 0.00 175.35 177.25 2yu4 s ASN 23 N -2.41 6.32 0.01 1.43 2.47 -0.74 -1.13 114.94 120.89 2yu4 s ASN 23 Ca 0.38 0.36 0.21 0.00 0.42 0.00 0.00 52.86 54.23 2yu4 s ASN 23 Cb -0.12 -1.99 -0.23 0.00 -1.45 0.00 0.00 41.25 37.46 2yu4 s ASN 23 CO 0.25 -0.21 0.58 0.29 -3.72 0.00 0.00 177.10 174.30 2yu4 n LYS 24 N -1.54 0.65 -0.02 0.43 5.02 -0.43 -3.22 118.16 119.05 2yu4 n LYS 24 Ca -0.06 -0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2yu4 n LYS 24 Cb 0.56 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.95 2yu4 n LYS 24 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yu4 h VAL 25 N 0.00 0.00 0.00 -0.18 2.07 -1.93 -3.42 116.25 112.79 2yu4 h VAL 25 Ca -0.10 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 2yu4 h VAL 25 Cb 1.26 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2yu4 h VAL 25 CO 0.01 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 176.93 2yu4 n GLY 27 N 1.53 1.19 3.17 0.00 0.00 -1.20 -5.02 105.19 104.86 2yu4 n GLY 27 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2yu4 n GLY 27 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yu4 n HIS 28 N -0.69 -3.40 -4.23 1.61 8.25 -1.26 -4.21 115.22 111.28 2yu4 n HIS 28 Ca 0.00 -0.61 -0.17 0.00 -0.26 0.00 0.00 57.72 56.68 2yu4 n HIS 28 Cb 0.00 -1.36 -0.14 0.00 1.12 0.00 0.00 29.99 29.61 2yu4 n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yu4 s THR 29 N -2.11 0.56 0.32 1.59 -4.23 -1.26 -1.79 115.64 108.72 2yu4 s THR 29 Ca 0.60 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2yu4 s THR 29 Cb -0.11 -0.49 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 2yu4 s THR 29 CO 0.51 0.09 0.36 -0.31 -0.54 0.00 0.00 174.62 174.73 2yu4 s TYR 30 N -0.31 1.33 0.24 3.99 2.02 -0.36 -4.92 117.35 119.33 2yu4 s TYR 30 Ca 0.01 -1.43 -0.16 0.00 -0.37 0.00 0.00 57.07 55.12 2yu4 s TYR 30 Cb -0.04 -0.38 -0.08 0.00 -0.40 0.00 0.00 41.96 41.06 2yu4 s TYR 30 CO -0.00 -0.97 0.67 -2.00 -1.57 0.00 0.00 175.55 171.68 2yu4 s GLU 31 N -3.38 4.07 0.02 -0.62 2.12 -1.26 -0.08 118.70 119.57 2yu4 s GLU 31 Ca 0.35 0.67 -0.06 0.00 0.36 0.00 0.00 54.97 56.29 2yu4 s GLU 31 Cb 0.02 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 2yu4 s GLU 31 CO 0.22 0.33 1.10 1.49 -0.54 0.00 0.00 175.26 177.86 2yu4 h GLU 32 N 3.00 -0.17 -0.93 4.30 4.81 -1.48 0.22 114.58 124.33 2yu4 h GLU 32 Ca -0.48 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.03 2yu4 h GLU 32 Cb 1.18 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 32 CO 0.66 -0.11 0.66 -0.44 -0.73 0.00 0.00 179.01 179.05 2yu4 h ASP 33 N -0.18 0.02 0.44 1.04 3.32 -1.95 0.29 116.42 119.40 2yu4 h ASP 33 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2yu4 h ASP 33 CO -0.02 0.01 -0.21 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.54 -0.71 0.00 3.45 0.00 -1.78 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yu4 h ALA 34 Cb 1.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2yu4 h ALA 34 CO -0.02 -0.67 -0.01 0.97 0.00 0.00 0.00 179.25 179.53 2yu4 h ILE 35 N -0.94 0.06 0.18 0.00 6.09 0.07 0.25 117.51 123.22 2yu4 h ILE 35 Ca -0.06 -0.18 -0.34 0.00 -1.37 0.00 0.00 64.86 62.90 2yu4 h ILE 35 Cb 0.45 1.17 0.01 0.00 0.47 0.00 0.00 36.82 38.92 2yu4 h ILE 35 CO 0.10 0.01 -1.70 0.58 -3.07 0.00 0.00 178.15 174.07 2yu4 h VAL 36 N 0.00 0.99 0.00 2.19 2.07 -0.44 -3.07 116.25 117.99 2yu4 h VAL 36 Ca -0.00 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 2yu4 h VAL 36 Cb 0.17 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.85 -0.59 0.08 0.02 0.00 0.00 177.57 177.93 2yu4 h ARG 37 N 0.10 0.00 0.29 1.57 0.11 0.06 -3.18 114.38 113.32 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2yu4 h ARG 37 Cb 2.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.17 2yu4 h ARG 37 CO 0.18 0.51 -0.14 1.98 0.10 0.00 0.00 179.97 182.61 2yu4 h MET 38 N 0.00 -0.37 -0.88 0.08 4.05 -0.65 -0.79 114.93 116.38 2yu4 h MET 38 Ca -0.02 0.03 0.22 0.00 -0.28 0.00 0.00 59.70 59.65 2yu4 h MET 38 Cb 1.42 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 32.25 2yu4 h MET 38 CO 0.07 -0.19 0.60 0.82 0.23 0.00 0.00 176.91 178.43 2yu4 h ILE 39 N -1.08 0.64 0.13 1.77 2.04 -1.68 0.32 117.51 119.64 2yu4 h ILE 39 Ca -0.04 -0.09 -0.27 0.00 1.00 0.00 0.00 64.86 65.46 2yu4 h ILE 39 Cb 0.35 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2yu4 h ILE 39 CO 0.06 0.05 -1.23 -0.33 0.00 0.00 0.00 178.15 176.70 2yu4 h GLU 40 N 0.26 0.31 0.00 2.37 5.08 -1.60 -2.18 114.58 118.81 2yu4 h GLU 40 Ca 0.45 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2yu4 h GLU 40 Cb 1.33 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2yu4 h GLU 40 CO -0.12 1.23 -0.30 1.03 -1.00 0.00 0.00 179.01 179.85 2yu4 h SER 41 N 0.10 0.00 0.00 1.42 0.87 0.76 -2.75 113.55 113.95 2yu4 h SER 41 Ca -0.14 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 2yu4 h SER 41 Cb 1.95 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.90 2yu4 h SER 41 CO 0.21 0.30 -0.42 0.03 -0.53 0.00 0.00 176.83 176.41 2yu4 h ARG 42 N 0.00 0.00 -0.57 2.24 2.47 -0.55 -3.31 114.38 114.66 2yu4 h ARG 42 Ca -0.00 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.82 2yu4 h ARG 42 Cb 0.93 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.16 2yu4 h ARG 42 CO 0.04 0.56 0.11 1.96 0.56 0.00 0.00 179.97 183.20 2yu4 h GLN 43 N -1.00 0.24 -0.24 0.04 4.20 -1.48 0.35 115.11 117.21 2yu4 h GLN 43 Ca -0.09 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.67 2yu4 h GLN 43 Cb 0.74 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2yu4 h GLN 43 CO -0.05 0.16 0.26 1.57 -0.67 0.00 0.00 178.83 180.09 2yu4 h LYS 44 N 0.24 0.00 -0.51 1.46 5.09 -1.66 0.24 116.57 121.44 2yu4 h LYS 44 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.87 2yu4 h LYS 44 Cb 0.43 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.67 2yu4 h LYS 44 CO -0.39 0.00 0.12 0.54 -2.09 0.00 0.00 179.45 177.63 2yu4 n ARG 45 N -3.78 2.85 -3.91 0.07 1.74 0.85 -4.93 116.66 109.54 2yu4 n ARG 45 Ca 0.03 -3.04 -0.31 0.00 -0.77 0.00 0.00 57.85 53.76 2yu4 n ARG 45 Cb 0.40 -1.99 0.01 0.00 -1.02 0.00 0.00 32.46 29.86 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yu4 n LYS 46 N -0.61 -4.90 -2.91 5.56 5.02 0.84 -4.96 118.16 116.20 2yu4 n LYS 46 Ca 0.34 0.55 -0.15 0.00 -2.02 0.00 0.00 58.31 57.03 2yu4 n LYS 46 Cb 1.16 -5.40 -0.01 0.00 -0.02 0.00 0.00 35.03 30.77 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yu4 n LYS 47 N -4.54 1.08 -4.28 1.97 5.02 0.84 -4.97 118.16 113.27 2yu4 n LYS 47 Ca 0.05 -1.95 -0.19 0.00 -2.02 0.00 0.00 58.31 54.20 2yu4 n LYS 47 Cb 0.52 0.26 -0.11 0.00 -0.02 0.00 0.00 35.03 35.68 2yu4 n LYS 47 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2yu4 s LYS 48 N -3.23 1.14 -0.35 1.97 -2.85 -1.26 -4.04 119.74 111.12 2yu4 s LYS 48 Ca 0.15 -1.34 -0.21 0.00 -1.00 0.00 0.00 55.97 53.57 2yu4 s LYS 48 Cb -0.01 -1.05 0.00 0.00 -2.06 0.00 0.00 37.83 34.71 2yu4 s LYS 48 CO 0.09 0.20 0.65 0.00 0.10 0.00 0.00 175.35 176.39 2yu4 s ALA 49 N -2.26 3.46 0.22 0.59 0.00 -1.26 -4.96 121.76 117.55 2yu4 s ALA 49 Ca 0.13 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.36 2yu4 s ALA 49 Cb -0.04 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2yu4 s ALA 49 CO 0.04 -1.34 -0.09 1.52 0.00 0.00 0.00 175.76 175.90 2yu4 s TYR 50 N 2.74 2.59 -0.58 0.00 1.13 -1.26 -1.28 117.35 120.68 2yu4 s TYR 50 Ca 0.25 -0.24 -0.31 0.00 -1.41 0.00 0.00 57.07 55.36 2yu4 s TYR 50 Cb -0.14 -1.21 -0.13 0.00 -1.10 0.00 0.00 41.96 39.38 2yu4 s TYR 50 CO 0.15 0.58 2.42 0.00 -2.51 0.00 0.00 175.55 176.18 2yu4 n PRO 52 N 8.57 0.07 -2.14 0.00 -0.04 -1.26 -4.67 135.00 135.53 2yu4 n PRO 52 Ca 0.47 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 2yu4 n PRO 52 Cb 0.28 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2yu4 n PRO 52 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2yu4 s GLN 53 N -2.86 3.19 -0.20 0.54 2.00 -1.26 -4.79 119.66 116.28 2yu4 s GLN 53 Ca 0.09 0.97 -0.37 0.00 -2.00 0.00 0.00 55.36 54.05 2yu4 s GLN 53 Cb 0.10 -4.20 -0.14 0.00 0.80 0.00 0.00 33.01 29.57 2yu4 s GLN 53 CO 0.25 -2.04 1.83 -0.89 -0.50 0.00 0.00 175.29 173.94 2yu4 n ILE 54 N 7.21 0.43 0.00 -2.34 2.08 -1.26 -1.39 119.36 124.09 2yu4 n ILE 54 Ca 0.19 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.42 2yu4 n ILE 54 Cb 0.49 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.84 2yu4 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2yu4 n GLY 55 N 4.41 1.31 3.81 7.39 0.00 -1.26 -5.10 105.19 115.75 2yu4 n GLY 55 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2yu4 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu4 n SER 57 N -2.09 1.52 -4.61 0.00 2.88 -1.26 -5.01 113.62 105.05 2yu4 n SER 57 Ca 0.08 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.26 2yu4 n SER 57 Cb 0.53 1.24 0.08 0.00 -0.75 0.00 0.00 64.21 65.32 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2yu4 n HIS 58 N -2.29 0.67 -2.53 0.66 -0.00 -1.26 -4.96 115.22 105.51 2yu4 n HIS 58 Ca -0.14 0.40 -0.02 0.00 -0.00 0.00 0.00 57.72 57.97 2yu4 n HIS 58 Cb 0.70 -2.09 0.04 0.00 -0.00 0.00 0.00 29.99 28.64 2yu4 n HIS 58 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2yu4 n THR 59 N -2.42 0.33 -3.58 3.57 -2.24 -1.26 -3.14 114.28 105.54 2yu4 n THR 59 Ca 0.13 -1.27 -0.29 0.00 -2.27 0.00 0.00 64.05 60.35 2yu4 n THR 59 Cb 0.49 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.54 2yu4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yu4 s ASP 60 N -1.95 3.61 -0.05 3.42 -1.08 -1.25 -4.43 116.67 114.95 2yu4 s ASP 60 Ca 0.16 -1.41 0.04 0.00 -0.52 0.00 0.00 52.55 50.82 2yu4 s ASP 60 Cb 0.30 -0.46 -0.00 0.00 -1.46 0.00 0.00 42.92 41.31 2yu4 s ASP 60 CO -0.08 -0.43 -0.16 -0.63 0.52 0.00 0.00 175.17 174.39 2yu4 s ILE 61 N 1.95 1.36 -0.03 4.11 1.01 -0.41 -4.85 121.20 124.34 2yu4 s ILE 61 Ca 0.10 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2yu4 s ILE 61 Cb -0.17 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2yu4 s ILE 61 CO -0.33 0.39 -0.21 -0.13 0.00 0.00 0.00 174.94 174.67 2yu4 s ARG 62 N 0.12 1.82 0.59 2.79 0.52 -1.26 -4.54 118.95 119.00 2yu4 s ARG 62 Ca -0.05 -0.74 0.29 0.00 -0.52 0.00 0.00 55.73 54.71 2yu4 s ARG 62 Cb -0.12 -1.69 1.63 0.00 0.52 0.00 0.00 34.95 35.29 2yu4 s ARG 62 CO 0.02 0.40 2.06 -0.22 0.02 0.00 0.00 175.30 177.59 2yu4 h LYS 63 N 5.81 0.00 0.00 3.54 3.64 -1.98 0.24 116.57 127.82 2yu4 h LYS 63 Ca -0.37 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2yu4 h LYS 63 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.48 0.00 -0.26 0.77 -2.27 0.00 0.00 179.45 178.16 2yu4 h SER 64 N 0.00 0.00 -0.60 4.20 0.02 -2.04 -2.69 113.55 112.44 2yu4 h SER 64 Ca 0.11 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 2yu4 h SER 64 Cb 0.61 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.04 2yu4 h SER 64 CO -0.00 0.26 0.23 0.47 -1.14 0.00 0.00 176.83 176.65 2yu4 n ASP 65 N -3.47 4.21 -4.54 3.07 8.00 0.84 -4.88 116.55 119.77 2yu4 n ASP 65 Ca -0.00 -2.96 -0.36 0.00 0.71 0.00 0.00 54.79 52.18 2yu4 n ASP 65 Cb 0.44 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.73 2yu4 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yu4 s LEU 66 N -2.34 3.65 0.19 0.64 1.43 -1.02 -1.32 118.68 119.92 2yu4 s LEU 66 Ca 0.43 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 2yu4 s LEU 66 Cb 0.35 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2yu4 s LEU 66 CO 0.11 0.05 -0.12 0.27 0.23 0.00 0.00 176.35 176.89 2yu4 s ILE 67 N 1.09 1.48 -0.22 -0.59 -4.36 -0.28 -5.00 121.20 113.32 2yu4 s ILE 67 Ca 0.05 -2.14 -0.16 0.00 -0.26 0.00 0.00 60.65 58.13 2yu4 s ILE 67 Cb -0.14 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2yu4 s ILE 67 CO 0.03 -0.63 0.42 -1.10 0.24 0.00 0.00 174.94 173.91 2yu4 s GLN 68 N -3.70 4.14 -0.17 0.37 -0.21 -1.26 -0.83 119.66 118.00 2yu4 s GLN 68 Ca 0.21 0.22 -0.18 0.00 0.02 0.00 0.00 55.36 55.62 2yu4 s GLN 68 Cb 0.01 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 2yu4 s GLN 68 CO 0.05 -0.13 0.51 0.34 -2.12 0.00 0.00 175.29 173.93 2yu4 s ASP 69 N 1.22 6.62 -0.13 5.90 -1.08 -1.17 -4.89 116.67 123.13 2yu4 s ASP 69 Ca 0.19 0.74 -0.07 0.00 -0.52 0.00 0.00 52.55 52.89 2yu4 s ASP 69 Cb -0.15 -2.29 -0.25 0.00 -1.46 0.00 0.00 42.92 38.76 2yu4 s ASP 69 CO 0.09 -0.12 0.33 1.21 0.52 0.00 0.00 175.17 177.20 2yu4 n GLU 70 N 4.38 0.75 0.22 4.34 2.13 -1.26 -2.96 120.64 128.23 2yu4 n GLU 70 Ca -0.05 0.27 0.17 0.00 0.66 0.00 0.00 57.16 58.20 2yu4 n GLU 70 Cb 0.51 -1.70 0.84 0.00 0.27 0.00 0.00 31.44 31.36 2yu4 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yu4 h ALA 71 N 0.04 1.77 0.08 4.31 0.00 -2.00 -1.30 119.26 122.15 2yu4 h ALA 71 Ca -0.43 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.14 2yu4 h ALA 71 Cb 2.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2yu4 h ALA 71 CO 0.07 -0.25 -1.83 -0.11 0.00 0.00 0.00 179.25 177.12 2yu4 n LEU 72 N -3.81 2.40 0.03 0.00 0.00 -1.26 -3.91 117.00 110.45 2yu4 n LEU 72 Ca 0.01 0.26 -0.10 0.00 0.00 0.00 0.00 56.01 56.17 2yu4 n LEU 72 Cb 0.29 -1.05 -0.04 0.00 0.00 0.00 0.00 43.42 42.62 2yu4 n LEU 72 CO 0.27 0.68 0.75 0.03 0.00 0.00 0.00 177.39 179.12 2yu4 h ARG 73 N -0.30 -0.24 -1.00 1.96 3.08 -1.31 -1.74 114.38 114.83 2yu4 h ARG 73 Ca -0.42 0.02 0.15 0.00 0.07 0.00 0.00 59.98 59.80 2yu4 h ARG 73 Cb 1.79 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.80 2yu4 h ARG 73 CO -0.03 -0.16 0.62 0.00 -1.07 0.00 0.00 179.97 179.33 2yu4 h ARG 74 N -0.25 0.86 -0.04 0.04 3.08 -1.46 -1.51 114.38 115.10 2yu4 h ARG 74 Ca 0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2yu4 h ARG 74 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2yu4 h ARG 74 CO -0.20 0.57 -0.01 0.00 -1.07 0.00 0.00 179.97 179.26 2yu4 h ALA 75 N 1.59 0.02 -0.66 0.04 0.00 -1.45 -0.08 119.26 118.72 2yu4 h ALA 75 Ca 0.54 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.51 2yu4 h ALA 75 Cb 0.68 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2yu4 h ALA 75 CO -0.32 -0.50 0.44 0.82 0.00 0.00 0.00 179.25 179.68 2yu4 h ILE 76 N -0.01 1.04 -0.03 0.00 2.04 -0.74 -1.01 117.51 118.79 2yu4 h ILE 76 Ca 0.02 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2yu4 h ILE 76 Cb 0.04 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2yu4 h ILE 76 CO -0.04 0.13 -0.68 -0.33 0.00 0.00 0.00 178.15 177.22 2yu4 h GLU 77 N 0.71 0.15 0.00 2.37 5.08 -0.83 -0.44 114.58 121.61 2yu4 h GLU 77 Ca 0.28 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2yu4 h GLU 77 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2yu4 h GLU 77 CO -0.08 0.77 -0.34 -0.97 -1.00 0.00 0.00 179.01 177.39 2yu4 h ASN 78 N 0.10 0.00 0.44 1.42 -1.24 0.27 -1.99 115.58 114.58 2yu4 h ASN 78 Ca -0.01 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.80 2yu4 h ASN 78 Cb 1.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.23 2yu4 h ASN 78 CO 0.10 0.34 -1.72 1.57 -1.29 0.00 0.00 177.43 176.43 2yu4 n HIS 79 N -3.59 0.64 0.11 0.67 -0.00 -0.77 -4.13 115.22 108.15 2yu4 n HIS 79 Ca -0.01 0.21 -0.03 0.00 0.46 0.00 0.00 57.72 58.36 2yu4 n HIS 79 Cb 0.47 -0.99 0.04 0.00 -0.12 0.00 0.00 29.99 29.39 2yu4 n HIS 79 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2yu4 h ASN 80 N 0.00 0.00 -0.42 0.26 2.35 -0.96 -3.17 115.58 113.64 2yu4 h ASN 80 Ca -0.23 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2yu4 h ASN 80 Cb 1.67 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.02 2yu4 h ASN 80 CO 0.04 0.76 0.31 0.07 -1.65 0.00 0.00 177.43 176.96 2yu4 h LYS 81 N 0.00 0.00 -0.26 0.81 5.09 -1.52 0.58 116.57 121.27 2yu4 h LYS 81 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.69 2yu4 h LYS 81 Cb 1.41 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.72 2yu4 h LYS 81 CO 0.10 0.00 -0.02 -0.22 -2.09 0.00 0.00 179.45 177.22 2yu4 h LYS 82 N 0.00 0.39 -4.22 0.07 3.64 -1.76 -3.37 116.57 111.31 2yu4 h LYS 82 Ca 0.20 -0.08 -0.63 0.00 -1.27 0.00 0.00 60.65 58.88 2yu4 h LYS 82 Cb 0.82 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 32.18 2yu4 h LYS 82 CO -0.00 0.44 -0.74 1.03 -2.27 0.00 0.00 179.45 177.91 2yu4 s ARG 83 N -4.94 1.20 -0.14 1.90 0.52 0.20 -4.94 118.95 112.75 2yu4 s ARG 83 Ca -0.07 -1.49 0.20 0.00 -0.52 0.00 0.00 55.73 53.85 2yu4 s ARG 83 Cb 0.16 -2.68 0.45 0.00 0.52 0.00 0.00 34.95 33.40 2yu4 s ARG 83 CO 0.74 -0.93 1.17 1.58 0.02 0.00 0.00 175.30 177.88 2yu4 n HIS 84 N 4.52 0.62 -3.35 -0.53 -0.00 -1.25 -4.88 115.22 110.34 2yu4 n HIS 84 Ca 0.00 -1.29 -0.16 0.00 0.46 0.00 0.00 57.72 56.73 2yu4 n HIS 84 Cb 0.42 -0.21 0.04 0.00 -0.12 0.00 0.00 29.99 30.12 2yu4 n HIS 84 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2yu4 n ARG 85 N -0.23 -1.64 -3.76 1.57 5.12 -1.26 -4.98 116.66 111.49 2yu4 n ARG 85 Ca 0.13 0.95 -0.37 0.00 -1.93 0.00 0.00 57.85 56.63 2yu4 n ARG 85 Cb 0.95 -5.07 -0.11 0.00 -1.16 0.00 0.00 32.46 27.06 2yu4 n ARG 85 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2yu4 s HIS 86 N -3.25 3.16 -0.08 -1.55 2.46 -1.26 -4.95 115.29 109.82 2yu4 s HIS 86 Ca 0.29 -0.16 -0.04 0.00 0.47 0.00 0.00 55.06 55.62 2yu4 s HIS 86 Cb -0.07 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.10 2yu4 s HIS 86 CO 0.79 -0.19 -0.10 0.45 -2.47 0.00 0.00 174.74 173.22 2yu4 n SER 87 N 4.67 0.81 -4.74 9.88 2.88 -1.26 -5.01 113.62 120.85 2yu4 n SER 87 Ca -0.16 0.09 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 2yu4 n SER 87 Cb 0.52 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 2yu4 n SER 87 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2yu4 s GLU 88 N -2.15 4.21 -0.07 -1.46 2.02 -1.26 -5.00 118.70 115.00 2yu4 s GLU 88 Ca -0.11 2.39 -0.07 0.00 0.02 0.00 0.00 54.97 57.20 2yu4 s GLU 88 Cb 0.04 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2yu4 s GLU 88 CO 0.14 -0.54 0.19 -1.12 0.02 0.00 0.00 175.26 173.96 2yu4 s SER 89 N 0.66 6.44 0.00 -0.19 0.01 -1.26 -4.99 113.70 114.37 2yu4 s SER 89 Ca 0.64 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2yu4 s SER 89 Cb -0.44 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2yu4 s SER 89 CO 0.40 0.35 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2yu4 n GLY 90 N 1.60 -1.82 0.16 3.44 0.00 -1.26 -5.05 105.19 102.26 2yu4 n GLY 90 Ca -0.16 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 2yu4 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu4 h PRO 91 N 0.00 0.49 -4.74 1.61 0.13 -2.05 -3.49 132.00 123.95 2yu4 h PRO 91 Ca 0.00 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2yu4 h PRO 91 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 2yu4 h PRO 91 CO 0.00 0.83 -1.17 0.45 -0.23 0.00 0.00 178.00 177.88 2yu4 n SER 92 N -4.45 -3.12 -3.68 1.44 2.88 -1.26 -5.08 113.62 100.35 2yu4 n SER 92 Ca -0.05 1.18 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 2yu4 n SER 92 Cb 0.40 -4.66 0.01 0.00 -0.75 0.00 0.00 64.21 59.21 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu4 s SER 93 N -0.89 -0.01 0.00 -3.46 0.15 -1.26 -5.36 113.70 102.87 2yu4 s SER 93 Ca -0.15 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2yu4 s SER 93 Cb 0.01 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2yu4 s SER 93 CO 0.68 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.27