#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqr s SER 2 N 0.00 4.52 0.47 1.61 0.15 -1.26 -5.11 113.70 114.09 2yqr s SER 2 Ca 0.00 -1.95 0.05 0.00 0.70 0.00 0.00 55.95 54.75 2yqr s SER 2 Cb 0.00 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 2yqr s SER 2 CO 0.00 -0.38 0.16 -0.44 1.20 0.00 0.00 173.24 173.78 2yqr s SER 3 N 1.12 4.32 0.00 5.45 0.01 -1.26 -4.98 113.70 118.36 2yqr s SER 3 Ca 0.09 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2yqr s SER 3 Cb -0.19 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2yqr s SER 3 CO -0.12 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2yqr n GLY 4 N -1.32 0.74 3.50 3.44 0.00 -1.26 -5.08 105.19 105.20 2yqr n GLY 4 Ca -0.07 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2yqr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqr s SER 5 N -1.34 6.28 -0.08 1.61 0.01 -1.26 -5.05 113.70 113.87 2yqr s SER 5 Ca 0.00 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 2yqr s SER 5 Cb 0.00 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2yqr s SER 5 CO 0.00 -0.77 0.36 -0.44 0.41 0.00 0.00 173.24 172.81 2yqr s SER 6 N 2.08 6.64 0.00 2.44 0.01 -1.26 -4.99 113.70 118.62 2yqr s SER 6 Ca 0.20 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2yqr s SER 6 Cb -0.15 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2yqr s SER 6 CO 0.17 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2yqr n GLY 7 N 2.57 -2.03 0.00 3.44 0.00 -1.26 -5.13 105.19 102.79 2yqr n GLY 7 Ca -0.13 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2yqr n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yqr n GLY 8 N 0.00 -1.44 3.77 -0.02 0.00 -1.26 -5.17 105.19 101.07 2yqr n GLY 8 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 2yqr n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2yqr s MET 9 N 0.00 2.83 0.07 1.61 1.00 -1.26 -5.09 119.30 118.46 2yqr s MET 9 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 55.69 54.60 2yqr s MET 9 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 34.83 32.11 2yqr s MET 9 CO 0.00 0.53 1.15 -1.01 0.00 0.00 0.00 175.02 175.69 2yqr s HIS 10 N -1.52 3.50 0.35 -0.03 0.09 -1.26 -5.03 115.29 111.38 2yqr s HIS 10 Ca 0.29 1.41 -0.07 0.00 -0.00 0.00 0.00 55.06 56.70 2yqr s HIS 10 Cb -0.11 -3.35 -0.06 0.00 -0.00 0.00 0.00 32.58 29.06 2yqr s HIS 10 CO 0.22 -0.97 0.65 0.71 -0.00 0.00 0.00 174.74 175.35 2yqr s TYR 11 N 0.81 3.48 -0.04 1.40 1.51 -1.26 -4.64 117.35 118.60 2yqr s TYR 11 Ca 0.56 0.80 0.05 0.00 -1.01 0.00 0.00 57.07 57.47 2yqr s TYR 11 Cb -0.28 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 2yqr s TYR 11 CO 0.30 0.03 -0.20 0.14 -1.11 0.00 0.00 175.55 174.72 2yqr s VAL 12 N -2.24 1.63 0.20 0.71 -7.23 0.45 -5.00 120.40 108.92 2yqr s VAL 12 Ca 0.47 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2yqr s VAL 12 Cb -0.10 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2yqr s VAL 12 CO 0.31 0.46 -0.16 0.00 -0.31 0.00 0.00 175.10 175.41 2yqr s GLN 13 N -0.11 1.36 0.25 4.82 -2.07 -1.26 -1.38 119.66 121.25 2yqr s GLN 13 Ca -0.01 -1.57 0.02 0.00 -1.82 0.00 0.00 55.36 51.98 2yqr s GLN 13 Cb -0.11 -1.24 -0.05 0.00 -1.09 0.00 0.00 33.01 30.51 2yqr s GLN 13 CO 0.02 0.22 0.06 0.34 -1.32 0.00 0.00 175.29 174.61 2yqr s ASP 14 N -3.19 1.45 -0.20 12.60 -1.08 -0.78 -4.97 116.67 120.49 2yqr s ASP 14 Ca 0.22 -1.31 -0.04 0.00 -0.52 0.00 0.00 52.55 50.90 2yqr s ASP 14 Cb -0.02 0.10 0.10 0.00 -1.46 0.00 0.00 42.92 41.63 2yqr s ASP 14 CO 0.08 -0.65 0.28 -0.54 0.52 0.00 0.00 175.17 174.86 2yqr s LYS 15 N -3.96 0.24 -0.32 4.34 1.02 -1.26 -2.88 119.74 116.91 2yqr s LYS 15 Ca 0.33 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.74 2yqr s LYS 15 Cb 0.07 -0.71 0.06 0.00 -0.52 0.00 0.00 37.83 36.73 2yqr s LYS 15 CO 0.11 -0.57 0.04 -0.51 -0.92 0.00 0.00 175.35 173.50 2yqr s LEU 16 N 2.42 4.19 -0.14 3.17 1.02 -0.23 -4.94 118.68 124.17 2yqr s LEU 16 Ca 0.07 -1.44 -0.29 0.00 0.02 0.00 0.00 54.13 52.49 2yqr s LEU 16 Cb -0.15 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 2yqr s LEU 16 CO -0.13 -0.32 1.04 -0.36 0.02 0.00 0.00 176.35 176.60 2yqr s PHE 17 N 1.22 3.42 0.26 0.29 0.40 -1.26 -0.20 117.98 122.11 2yqr s PHE 17 Ca -0.02 1.51 0.15 0.00 -0.60 0.00 0.00 56.93 57.97 2yqr s PHE 17 Cb -0.20 -3.24 0.59 0.00 0.51 0.00 0.00 43.02 40.67 2yqr s PHE 17 CO -0.02 -0.42 1.71 -0.39 0.70 0.00 0.00 175.22 176.81 2yqr h VAL 18 N 5.21 1.17 -5.98 -0.44 -1.51 -1.95 -3.48 116.25 109.27 2yqr h VAL 18 Ca -0.27 -1.68 -0.38 0.00 -1.23 0.00 0.00 66.70 63.13 2yqr h VAL 18 Cb 1.12 1.95 0.10 0.00 -2.13 0.00 0.00 31.29 32.33 2yqr h VAL 18 CO 0.90 0.45 -0.87 0.61 -1.23 0.00 0.00 177.57 177.43 2yqr n GLY 19 N 0.08 -0.73 0.95 5.19 0.00 -1.26 -4.92 105.19 104.50 2yqr n GLY 19 Ca -0.01 0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.39 2yqr n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yqr n LEU 20 N -4.00 1.05 0.25 0.99 7.94 -1.26 -4.83 117.00 117.14 2yqr n LEU 20 Ca -0.18 -2.06 0.10 0.00 -1.11 0.00 0.00 56.01 52.76 2yqr n LEU 20 Cb 0.64 -0.11 0.64 0.00 0.53 0.00 0.00 43.42 45.12 2yqr n LEU 20 CO 0.66 0.57 0.95 -0.33 -1.11 0.00 0.00 177.39 178.13 2yqr h GLU 21 N 0.61 0.00 0.00 1.96 5.08 -1.96 -1.67 114.58 118.60 2yqr h GLU 21 Ca -0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2yqr h GLU 21 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2yqr h GLU 21 CO 0.05 0.14 -0.38 1.12 -1.00 0.00 0.00 179.01 178.94 2yqr h HIS 22 N 0.00 0.00 -2.55 4.33 2.07 -2.02 -3.45 115.15 113.53 2yqr h HIS 22 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 2yqr h HIS 22 Cb 0.31 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.39 2yqr h HIS 22 CO 0.00 0.38 0.36 0.00 -3.07 0.00 0.00 177.93 175.60 2yqr n ALA 23 N -2.30 0.29 -1.11 6.11 0.00 -0.63 -4.89 120.51 117.98 2yqr n ALA 23 Ca -0.00 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 2yqr n ALA 23 Cb 0.52 -2.13 0.09 0.00 0.00 0.00 0.00 19.45 17.92 2yqr n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2yqr n VAL 24 N 1.00 1.23 0.34 0.00 0.24 -1.26 -4.86 118.33 115.01 2yqr n VAL 24 Ca 0.10 -0.33 0.15 0.00 -2.04 0.00 0.00 64.34 62.22 2yqr n VAL 24 Cb 0.31 -0.71 0.60 0.00 -1.47 0.00 0.00 33.84 32.57 2yqr n VAL 24 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2yqr h PRO 25 N -0.76 0.00 -0.01 7.34 0.13 -1.95 -2.88 132.00 133.87 2yqr h PRO 25 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2yqr h PRO 25 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2yqr h PRO 25 CO 0.40 0.00 -0.87 1.79 -0.23 0.00 0.00 178.00 179.09 2yqr h THR 26 N 0.00 1.45 -0.55 1.56 1.35 -2.02 -3.25 112.91 111.45 2yqr h THR 26 Ca 0.00 -2.50 -0.02 0.00 -0.55 0.00 0.00 66.41 63.34 2yqr h THR 26 Cb 0.43 2.40 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 2yqr h THR 26 CO 0.00 0.73 0.25 0.15 -0.25 0.00 0.00 175.52 176.41 2yqr h PHE 27 N 0.16 0.81 -5.54 4.73 3.57 -1.86 -3.48 116.94 115.34 2yqr h PHE 27 Ca -0.05 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 2yqr h PHE 27 Cb 1.49 -0.25 0.08 0.00 2.79 0.00 0.00 35.95 40.06 2yqr h PHE 27 CO 0.04 0.64 -0.43 0.09 -2.23 0.00 0.00 178.31 176.41 2yqr n ASN 28 N -4.55 -7.06 -0.08 0.41 4.13 -1.23 -4.86 115.26 102.03 2yqr n ASN 28 Ca 0.03 -0.42 0.02 0.00 1.68 0.00 0.00 54.58 55.90 2yqr n ASN 28 Cb 0.13 -4.94 0.35 0.00 -1.54 0.00 0.00 39.78 33.78 2yqr n ASN 28 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2yqr h VAL 29 N -0.30 1.14 -0.76 2.41 3.04 -1.92 -2.25 116.25 117.61 2yqr h VAL 29 Ca -0.30 -0.27 0.09 0.00 -1.01 0.00 0.00 66.70 65.20 2yqr h VAL 29 Cb 1.16 0.36 -0.07 0.00 -2.01 0.00 0.00 31.29 30.73 2yqr h VAL 29 CO 0.37 0.14 0.41 0.50 -1.01 0.00 0.00 177.57 177.98 2yqr h LYS 30 N 0.73 0.68 0.00 4.17 3.64 -1.91 0.21 116.57 124.10 2yqr h LYS 30 Ca 0.20 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2yqr h LYS 30 Cb -0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2yqr h LYS 30 CO -0.04 0.45 -0.22 0.93 -2.27 0.00 0.00 179.45 178.30 2yqr h GLU 31 N 0.70 0.00 0.01 1.90 5.08 -1.76 -2.38 114.58 118.13 2yqr h GLU 31 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2yqr h GLU 31 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2yqr h GLU 31 CO -0.24 0.22 -0.00 0.87 -1.00 0.00 0.00 179.01 178.85 2yqr h LYS 32 N 0.00 -0.01 -0.96 2.33 1.79 -0.71 0.24 116.57 119.25 2yqr h LYS 32 Ca -0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2yqr h LYS 32 Cb 0.68 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 2yqr h LYS 32 CO 0.03 0.77 0.62 -0.24 -1.08 0.00 0.00 179.45 179.55 2yqr h VAL 33 N -0.96 1.12 0.00 0.50 3.04 -0.70 -1.57 116.25 117.68 2yqr h VAL 33 Ca -0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2yqr h VAL 33 Cb 0.79 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2yqr h VAL 33 CO 0.00 0.21 -0.76 -1.84 -1.01 0.00 0.00 177.57 174.17 2yqr n GLU 34 N -4.47 0.24 -1.42 4.17 0.28 -0.90 -4.04 120.64 114.50 2yqr n GLU 34 Ca 0.14 0.04 0.19 0.00 -0.16 0.00 0.00 57.16 57.36 2yqr n GLU 34 Cb 0.14 -1.62 -0.05 0.00 1.43 0.00 0.00 31.44 31.34 2yqr n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yqr n GLY 35 N 1.38 -2.04 3.72 -1.84 0.00 0.84 -3.11 105.19 104.14 2yqr n GLY 35 Ca 0.03 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2yqr n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yqr s PRO 36 N -2.50 4.35 -1.29 1.61 0.04 -1.26 -3.00 135.00 132.95 2yqr s PRO 36 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2yqr s PRO 36 Cb 0.00 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2yqr s PRO 36 CO 0.00 -0.37 0.15 0.41 0.04 0.00 0.00 177.00 177.23 2yqr n GLY 37 N 3.17 -0.50 2.42 0.56 0.00 -1.26 -0.12 105.19 109.46 2yqr n GLY 37 Ca 0.10 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2yqr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr h SER 39 N 0.00 -0.41 0.18 0.00 0.87 -0.48 0.96 113.55 114.67 2yqr h SER 39 Ca -0.39 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2yqr h SER 39 Cb 1.23 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 2yqr h SER 39 CO 0.51 -0.20 -0.48 1.88 -0.53 0.00 0.00 176.83 178.00 2yqr h TYR 40 N -0.61 -1.39 -0.90 2.24 -1.99 -1.77 -0.63 116.97 111.91 2yqr h TYR 40 Ca -0.05 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.81 2yqr h TYR 40 Cb 0.45 0.58 -0.07 0.00 2.00 0.00 0.00 36.73 39.70 2yqr h TYR 40 CO -0.02 -0.56 0.58 -0.07 -0.00 0.00 0.00 178.16 178.09 2yqr h LEU 41 N -0.74 0.83 -0.59 3.88 4.07 -1.59 -1.66 115.31 119.50 2yqr h LEU 41 Ca -0.02 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.01 2yqr h LEU 41 Cb 0.72 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 2yqr h LEU 41 CO -0.22 0.49 0.33 1.56 -1.08 0.00 0.00 178.44 179.51 2yqr h GLN 42 N 0.91 0.61 0.20 1.13 1.08 0.07 -0.94 115.11 118.19 2yqr h GLN 42 Ca 0.42 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.59 2yqr h GLN 42 Cb 0.39 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2yqr h GLN 42 CO -0.18 0.41 -0.52 1.25 -0.95 0.00 0.00 178.83 178.83 2yqr h HIS 43 N 0.63 -1.51 0.00 2.96 2.76 -0.15 0.29 115.15 120.13 2yqr h HIS 43 Ca 0.26 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2yqr h HIS 43 Cb 0.12 0.63 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 2yqr h HIS 43 CO -0.08 -0.61 -0.01 0.82 -1.30 0.00 0.00 177.93 176.75 2yqr h ILE 44 N -0.81 0.51 0.00 6.26 2.04 -1.46 0.28 117.51 124.33 2yqr h ILE 44 Ca -0.02 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 2yqr h ILE 44 Cb 0.78 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2yqr h ILE 44 CO -0.24 0.01 -0.62 1.56 0.00 0.00 0.00 178.15 178.86 2yqr h GLN 45 N 0.00 0.00 0.00 2.37 4.20 0.34 -2.53 115.11 119.49 2yqr h GLN 45 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2yqr h GLN 45 Cb 0.03 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2yqr h GLN 45 CO 0.00 0.62 -1.69 -0.89 -0.67 0.00 0.00 178.83 176.21 2yqr n ILE 46 N -3.36 0.94 0.12 2.54 5.41 0.84 -0.66 119.36 125.20 2yqr n ILE 46 Ca 0.01 -0.67 0.01 0.00 1.00 0.00 0.00 62.75 63.09 2yqr n ILE 46 Cb 0.74 -0.51 -0.00 0.00 -0.71 0.00 0.00 39.64 39.16 2yqr n ILE 46 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2yqr h GLU 47 N 0.00 0.00 0.00 0.38 4.39 -0.56 -3.35 114.58 115.43 2yqr h GLU 47 Ca -0.19 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 2yqr h GLU 47 Cb 1.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 2yqr h GLU 47 CO 0.03 0.58 -1.29 0.25 -1.16 0.00 0.00 179.01 177.42 2yqr n THR 48 N -3.24 0.16 -1.10 1.13 -2.24 -0.95 -5.02 114.28 103.03 2yqr n THR 48 Ca 0.01 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2yqr n THR 48 Cb 0.78 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 2yqr n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yqr n GLY 49 N 2.43 0.64 3.89 3.38 0.00 0.17 -4.87 105.19 110.83 2yqr n GLY 49 Ca -0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2yqr n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr s ALA 50 N -2.09 3.78 -0.55 4.61 0.00 -1.20 -5.00 121.76 121.30 2yqr s ALA 50 Ca 0.00 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 2yqr s ALA 50 Cb 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2yqr s ALA 50 CO 0.00 0.37 1.11 0.15 0.00 0.00 0.00 175.76 177.39 2yqr s LYS 51 N -3.59 3.50 -0.22 0.00 1.02 -0.51 -4.53 119.74 115.41 2yqr s LYS 51 Ca 0.33 0.17 -0.04 0.00 0.02 0.00 0.00 55.97 56.45 2yqr s LYS 51 Cb -0.09 -4.00 -0.02 0.00 -0.52 0.00 0.00 37.83 33.20 2yqr s LYS 51 CO 0.27 -1.57 -0.02 0.08 -0.92 0.00 0.00 175.35 173.18 2yqr s VAL 52 N 4.60 3.64 -0.08 3.17 1.01 -1.26 -0.11 120.40 131.37 2yqr s VAL 52 Ca 0.40 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2yqr s VAL 52 Cb -0.09 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2yqr s VAL 52 CO 0.25 0.42 0.20 0.72 0.00 0.00 0.00 175.10 176.68 2yqr s PHE 53 N 1.33 -0.25 0.24 5.22 -0.71 -0.44 -4.95 117.98 118.42 2yqr s PHE 53 Ca 0.04 0.62 -0.30 0.00 -1.04 0.00 0.00 56.93 56.26 2yqr s PHE 53 Cb -0.14 0.00 -0.09 0.00 -1.21 0.00 0.00 43.02 41.58 2yqr s PHE 53 CO -0.01 -0.18 1.23 -1.17 -1.34 0.00 0.00 175.22 173.75 2yqr s LEU 54 N 1.02 4.46 0.07 -1.99 2.96 -1.26 -2.21 118.68 121.74 2yqr s LEU 54 Ca -0.08 2.38 -0.05 0.00 -0.22 0.00 0.00 54.13 56.16 2yqr s LEU 54 Cb -0.09 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2yqr s LEU 54 CO -0.06 -0.39 0.10 -0.60 -1.32 0.00 0.00 176.35 174.08 2yqr s ARG 55 N -0.81 0.75 0.00 1.98 3.52 -0.46 -4.95 118.95 118.98 2yqr s ARG 55 Ca 0.51 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2yqr s ARG 55 Cb -0.35 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2yqr s ARG 55 CO 0.41 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 2yqr n GLY 56 N 0.01 1.82 3.63 8.12 0.00 -1.26 -0.31 105.19 117.20 2yqr n GLY 56 Ca -0.14 -2.04 -0.47 0.00 0.00 0.00 0.00 46.02 43.37 2yqr n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yqr n LYS 57 N 1.03 1.68 0.00 1.61 4.81 0.82 -0.82 118.16 127.29 2yqr n LYS 57 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2yqr n LYS 57 Cb 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2yqr n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yqr n GLY 58 N 2.40 3.22 0.18 3.14 0.00 -1.26 -0.12 105.19 112.73 2yqr n GLY 58 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2yqr n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yqr h SER 59 N 0.00 0.00 0.00 1.61 4.64 -1.28 -3.47 113.55 115.04 2yqr h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yqr h SER 59 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2yqr h SER 59 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2yqr n GLY 60 N 0.35 1.30 3.29 -0.77 0.00 -1.26 -4.94 105.19 103.16 2yqr n GLY 60 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2yqr n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr h ILE 62 N 5.58 0.15 -4.63 0.00 1.08 -1.90 -3.35 117.51 114.44 2yqr h ILE 62 Ca -0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2yqr h ILE 62 Cb 1.07 0.96 -0.11 0.00 -3.07 0.00 0.00 36.82 35.68 2yqr h ILE 62 CO 0.92 0.00 -1.31 -0.62 -0.69 0.00 0.00 178.15 176.45 2yqr n GLU 63 N -3.28 -3.76 0.00 2.37 1.02 -1.26 -1.76 120.64 113.96 2yqr n GLU 63 Ca -0.03 2.93 0.07 0.00 -0.02 0.00 0.00 57.16 60.11 2yqr n GLU 63 Cb 0.11 -4.36 0.33 0.00 -0.02 0.00 0.00 31.44 27.51 2yqr n GLU 63 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2yqr n PRO 64 N 1.37 0.09 -0.15 3.49 -0.04 -1.26 -0.02 135.00 138.48 2yqr n PRO 64 Ca -0.34 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2yqr n PRO 64 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2yqr n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yqr h ALA 65 N 2.58 0.59 0.00 0.55 0.00 -1.94 -3.39 119.26 117.64 2yqr h ALA 65 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2yqr h ALA 65 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yqr h ALA 65 CO 0.00 0.40 -0.77 0.43 0.00 0.00 0.00 179.25 179.32 2yqr n SER 66 N -4.37 3.40 0.00 0.00 7.64 -1.16 -5.04 113.62 114.08 2yqr n SER 66 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2yqr n SER 66 Cb 0.32 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2yqr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqr n GLY 67 N 2.77 1.37 3.36 0.23 0.00 0.97 -5.10 105.19 108.79 2yqr n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2yqr n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yqr s ARG 68 N -0.13 1.61 0.98 1.61 3.03 -0.72 -4.76 118.95 120.57 2yqr s ARG 68 Ca 0.00 -1.20 -0.14 0.00 2.03 0.00 0.00 55.73 56.42 2yqr s ARG 68 Cb 0.00 -1.92 0.04 0.00 -1.03 0.00 0.00 34.95 32.05 2yqr s ARG 68 CO 0.00 0.48 0.30 0.39 -1.13 0.00 0.00 175.30 175.34 2yqr n GLU 69 N 1.41 -0.52 -0.65 3.89 4.71 -1.17 -4.40 120.64 123.91 2yqr n GLU 69 Ca -0.17 -0.12 -0.31 0.00 -0.01 0.00 0.00 57.16 56.55 2yqr n GLU 69 Cb 0.52 -1.81 0.18 0.00 -1.01 0.00 0.00 31.44 29.33 2yqr n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yqr n ALA 70 N -3.72 -2.13 0.09 0.62 0.00 -1.26 -4.89 120.51 109.22 2yqr n ALA 70 Ca 0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 2yqr n ALA 70 Cb 0.55 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 2yqr n ALA 70 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2yqr h PHE 71 N -2.04 0.36 -3.72 0.00 3.04 -1.97 -3.35 116.94 109.26 2yqr h PHE 71 Ca -0.49 -0.24 -0.49 0.00 3.98 0.00 0.00 57.97 60.73 2yqr h PHE 71 Cb 1.30 -0.02 0.05 0.00 2.56 0.00 0.00 35.95 39.83 2yqr h PHE 71 CO 0.38 1.15 0.18 -1.21 -2.02 0.00 0.00 178.31 176.78 2yqr s GLU 72 N -2.84 3.30 0.99 1.11 2.02 -1.26 -4.88 118.70 117.14 2yqr s GLU 72 Ca -0.03 0.19 -0.12 0.00 0.02 0.00 0.00 54.97 55.03 2yqr s GLU 72 Cb 0.08 -2.29 0.19 0.00 0.10 0.00 0.00 34.13 32.21 2yqr s GLU 72 CO 0.86 -0.46 1.09 -1.25 0.02 0.00 0.00 175.26 175.52 2yqr s PRO 73 N -4.90 0.47 0.75 0.39 0.04 -1.26 -0.13 135.00 130.35 2yqr s PRO 73 Ca 0.51 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.94 2yqr s PRO 73 Cb -0.10 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2yqr s PRO 73 CO 0.46 -2.71 1.24 0.00 0.04 0.00 0.00 177.00 176.03 2yqr s MET 74 N -4.96 1.98 0.04 4.56 0.23 0.82 -4.00 119.30 117.97 2yqr s MET 74 Ca 0.65 1.87 -0.27 0.00 -1.03 0.00 0.00 55.69 56.91 2yqr s MET 74 Cb -0.19 -1.80 0.09 0.00 -1.53 0.00 0.00 34.83 31.41 2yqr s MET 74 CO 0.58 -1.98 0.84 1.52 -2.03 0.00 0.00 175.02 173.94 2yqr s TYR 75 N -1.87 -0.37 0.04 3.16 -0.85 0.58 -3.94 117.35 114.10 2yqr s TYR 75 Ca 0.77 0.21 -0.25 0.00 -0.52 0.00 0.00 57.07 57.27 2yqr s TYR 75 Cb -0.32 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 2yqr s TYR 75 CO 0.46 -0.62 0.77 0.42 -1.52 0.00 0.00 175.55 175.07 2yqr s ILE 76 N -3.25 4.75 -0.20 -3.49 1.01 0.72 -1.35 121.20 119.39 2yqr s ILE 76 Ca 0.05 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.35 2yqr s ILE 76 Cb -0.01 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.38 2yqr s ILE 76 CO -0.09 0.35 -0.14 -0.47 0.00 0.00 0.00 174.94 174.59 2yqr s TYR 77 N 0.04 2.75 -0.05 3.97 6.14 -0.94 -1.07 117.35 128.19 2yqr s TYR 77 Ca 0.39 -1.77 -0.02 0.00 0.64 0.00 0.00 57.07 56.31 2yqr s TYR 77 Cb -0.20 -1.81 -0.04 0.00 0.42 0.00 0.00 41.96 40.33 2yqr s TYR 77 CO 0.23 -0.80 0.07 0.42 0.64 0.00 0.00 175.55 176.11 2yqr s ILE 78 N 1.29 4.75 -0.22 3.14 1.01 -1.14 -1.33 121.20 128.70 2yqr s ILE 78 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 2yqr s ILE 78 Cb -0.16 -3.10 0.07 0.00 0.01 0.00 0.00 42.46 39.28 2yqr s ILE 78 CO -0.09 0.48 0.03 -0.94 0.00 0.00 0.00 174.94 174.41 2yqr s SER 79 N -1.35 3.27 -0.02 3.58 1.04 0.84 -1.87 113.70 119.19 2yqr s SER 79 Ca 0.19 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2yqr s SER 79 Cb -0.12 -0.76 -0.00 0.00 0.10 0.00 0.00 66.02 65.25 2yqr s SER 79 CO 0.09 -0.31 -0.10 -2.28 0.98 0.00 0.00 173.24 171.62 2yqr s HIS 80 N 1.73 1.03 -1.03 5.02 5.04 -0.48 -1.43 115.29 125.17 2yqr s HIS 80 Ca -0.01 -0.25 0.14 0.00 -1.54 0.00 0.00 55.06 53.41 2yqr s HIS 80 Cb -0.17 -0.71 0.61 0.00 0.04 0.00 0.00 32.58 32.35 2yqr s HIS 80 CO -0.10 -0.08 1.45 -0.35 -2.34 0.00 0.00 174.74 173.31 2yqr n PRO 81 N 3.16 0.01 -4.10 2.88 -0.04 -1.26 -0.41 135.00 135.23 2yqr n PRO 81 Ca -0.17 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2yqr n PRO 81 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2yqr n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yqr s LYS 82 N -2.97 0.64 0.32 0.54 -0.14 -1.26 -4.49 119.74 112.38 2yqr s LYS 82 Ca 0.07 -0.97 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 2yqr s LYS 82 Cb 0.09 -0.27 0.53 0.00 -1.68 0.00 0.00 37.83 36.51 2yqr s LYS 82 CO 0.26 0.03 1.72 -1.00 -0.76 0.00 0.00 175.35 175.59 2yqr h PRO 83 N 3.95 0.02 0.13 -1.68 0.13 -1.92 -2.80 132.00 129.84 2yqr h PRO 83 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2yqr h PRO 83 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2yqr h PRO 83 CO 0.49 0.50 -0.33 1.49 -0.23 0.00 0.00 178.00 179.92 2yqr h GLU 84 N 0.02 -0.49 -0.53 0.86 4.81 -1.97 0.46 114.58 117.73 2yqr h GLU 84 Ca -0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2yqr h GLU 84 Cb 0.87 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2yqr h GLU 84 CO 0.06 -0.33 0.05 0.78 -0.73 0.00 0.00 179.01 178.85 2yqr h GLY 85 N -0.51 0.97 0.26 1.92 0.00 -1.90 -2.68 103.07 101.14 2yqr h GLY 85 Ca -0.01 -0.68 0.15 0.00 0.00 0.00 0.00 47.33 46.80 2yqr h GLY 85 CO -0.15 0.62 0.56 -2.00 0.00 0.00 0.00 176.54 175.57 2yqr h LEU 86 N 0.78 0.74 -0.80 3.11 7.12 -1.31 0.34 115.31 125.29 2yqr h LEU 86 Ca 0.16 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.19 2yqr h LEU 86 Cb 0.46 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2yqr h LEU 86 CO 0.02 0.32 -0.29 0.00 -0.13 0.00 0.00 178.44 178.35 2yqr h ALA 87 N 1.58 0.94 0.01 1.25 0.00 -0.73 -2.96 119.26 119.35 2yqr h ALA 87 Ca 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2yqr h ALA 87 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yqr h ALA 87 CO -0.34 0.37 -0.00 0.00 0.00 0.00 0.00 179.25 179.27 2yqr h ALA 88 N 1.71 -0.01 -0.99 0.00 0.00 -0.17 -3.18 119.26 116.62 2yqr h ALA 88 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 2yqr h ALA 88 Cb 0.92 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2yqr h ALA 88 CO 0.04 -0.01 0.61 0.00 0.00 0.00 0.00 179.25 179.89 2yqr h ALA 89 N -0.60 1.80 -0.51 0.00 0.00 -0.64 0.17 119.26 119.49 2yqr h ALA 89 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2yqr h ALA 89 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2yqr h ALA 89 CO 0.00 -0.15 0.12 -0.22 0.00 0.00 0.00 179.25 179.01 2yqr h LYS 90 N 0.69 0.77 -0.27 0.00 3.64 -1.64 -1.78 116.57 117.99 2yqr h LYS 90 Ca 0.55 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2yqr h LYS 90 Cb 0.96 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2yqr h LYS 90 CO -0.33 0.70 -0.17 0.87 -2.27 0.00 0.00 179.45 178.25 2yqr h LYS 91 N 0.74 0.59 -0.22 1.90 1.79 -0.67 -2.76 116.57 117.94 2yqr h LYS 91 Ca 0.17 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2yqr h LYS 91 Cb 0.28 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2yqr h LYS 91 CO -0.00 0.85 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.12 2yqr h LEU 92 N 0.31 0.30 -0.25 2.94 3.38 -1.08 -2.63 115.31 118.28 2yqr h LEU 92 Ca 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2yqr h LEU 92 Cb 0.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2yqr h LEU 92 CO 0.05 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.96 2yqr h GLU 94 N 0.21 0.62 -0.02 0.00 4.39 -1.20 -0.66 114.58 117.92 2yqr h GLU 94 Ca 0.07 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 2yqr h GLU 94 Cb 0.40 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2yqr h GLU 94 CO 0.01 0.43 -0.82 -0.97 -1.16 0.00 0.00 179.01 176.50 2yqr h ASN 95 N 0.64 0.35 0.14 1.42 -1.24 -1.28 -3.05 115.58 112.57 2yqr h ASN 95 Ca 0.17 -0.26 -0.15 0.00 0.71 0.00 0.00 56.30 56.76 2yqr h ASN 95 Cb -0.03 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2yqr h ASN 95 CO -0.03 1.03 -0.57 0.25 -1.29 0.00 0.00 177.43 176.82 2yqr h LEU 96 N 0.17 0.49 -0.62 0.34 6.46 -0.42 -3.15 115.31 118.59 2yqr h LEU 96 Ca -0.04 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 2yqr h LEU 96 Cb 1.43 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 2yqr h LEU 96 CO 0.13 0.95 0.10 -0.07 -0.62 0.00 0.00 178.44 178.94 2yqr h LEU 97 N 0.34 0.98 -2.06 2.25 3.38 -1.15 -2.43 115.31 116.62 2yqr h LEU 97 Ca 0.00 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.82 2yqr h LEU 97 Cb 1.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2yqr h LEU 97 CO 0.10 0.99 0.30 1.56 0.09 0.00 0.00 178.44 181.48 2yqr h GLN 98 N 0.93 0.00 0.23 1.13 1.08 -1.49 0.20 115.11 117.20 2yqr h GLN 98 Ca 0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2yqr h GLN 98 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2yqr h GLN 98 CO 0.01 0.00 -0.11 1.15 -0.95 0.00 0.00 178.83 178.93 2yqr h THR 99 N 0.00 0.18 -0.08 -0.54 2.02 -1.49 -3.03 112.91 109.96 2yqr h THR 99 Ca 0.17 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2yqr h THR 99 Cb 0.77 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2yqr h THR 99 CO -0.00 0.05 0.03 1.62 0.37 0.00 0.00 175.52 177.59 2yqr h VAL 100 N -1.06 1.04 -0.03 3.16 3.04 -1.33 -1.18 116.25 119.89 2yqr h VAL 100 Ca -0.03 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 2yqr h VAL 100 Cb 0.32 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 2yqr h VAL 100 CO 0.05 0.04 -0.29 0.45 -1.01 0.00 0.00 177.57 176.81 2yqr h HIS 101 N 0.11 0.06 0.00 3.17 -0.00 -0.69 -2.37 115.15 115.44 2yqr h HIS 101 Ca 0.03 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.28 2yqr h HIS 101 Cb 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2yqr h HIS 101 CO 0.00 0.35 -0.50 0.00 -0.00 0.00 0.00 177.93 177.78 2yqr h ALA 102 N 1.65 0.94 -0.08 2.45 0.00 -1.08 -3.13 119.26 120.01 2yqr h ALA 102 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2yqr h ALA 102 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2yqr h ALA 102 CO 0.04 0.62 -0.06 0.93 0.00 0.00 0.00 179.25 180.78 2yqr h GLU 103 N 0.00 0.18 -0.28 0.00 4.39 -1.32 -3.10 114.58 114.45 2yqr h GLU 103 Ca -0.00 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.66 2yqr h GLU 103 Cb 1.04 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 2yqr h GLU 103 CO 0.06 0.59 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.56 2yqr h TYR 104 N -0.23 -0.07 -0.50 4.33 3.20 -1.54 0.15 116.97 122.30 2yqr h TYR 104 Ca 0.01 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.05 2yqr h TYR 104 Cb 0.55 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2yqr h TYR 104 CO 0.08 -0.08 0.41 1.03 -1.64 0.00 0.00 178.16 177.97 2yqr h SER 105 N 0.04 0.00 0.60 -2.11 0.87 -1.58 0.21 113.55 111.58 2yqr h SER 105 Ca 0.13 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.42 2yqr h SER 105 Cb 0.19 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2yqr h SER 105 CO -0.25 0.00 -1.53 0.03 -0.53 0.00 0.00 176.83 174.55 2yqr h ARG 106 N 0.00 0.03 0.23 2.24 3.08 -0.96 -3.09 114.38 115.90 2yqr h ARG 106 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2yqr h ARG 106 Cb 1.06 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2yqr h ARG 106 CO -0.00 0.68 -0.11 0.35 -1.07 0.00 0.00 179.97 179.82 2yqr h PHE 107 N 0.01 -0.28 0.00 3.04 3.04 0.18 -3.28 116.94 119.65 2yqr h PHE 107 Ca -0.22 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2yqr h PHE 107 Cb 1.95 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 40.56 2yqr h PHE 107 CO 0.01 0.01 -0.05 -0.24 -2.02 0.00 0.00 178.31 176.02 2yqr h VAL 108 N -1.00 0.97 -0.32 1.41 3.04 -0.92 -1.66 116.25 117.77 2yqr h VAL 108 Ca -0.03 -0.18 0.09 0.00 -1.01 0.00 0.00 66.70 65.57 2yqr h VAL 108 Cb 0.43 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 2yqr h VAL 108 CO 0.05 0.05 0.23 0.78 -1.01 0.00 0.00 177.57 177.67 2yqr h ASN 109 N 0.00 0.00 0.78 3.17 4.21 -1.60 -0.23 115.58 121.92 2yqr h ASN 109 Ca -0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 2yqr h ASN 109 Cb 0.10 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 2yqr h ASN 109 CO 0.01 0.00 -1.00 1.56 -1.29 0.00 0.00 177.43 176.71 2yqr h GLN 110 N 0.00 0.11 -6.22 0.81 1.08 -1.37 -3.42 115.11 106.10 2yqr h GLN 110 Ca 0.15 -0.16 -0.54 0.00 -1.45 0.00 0.00 58.65 56.65 2yqr h GLN 110 Cb 0.60 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 2yqr h GLN 110 CO -0.00 1.01 1.23 0.42 -0.95 0.00 0.00 178.83 180.54 2yqr s ILE 111 N -2.89 3.56 0.30 2.54 1.01 -0.10 -4.98 121.20 120.65 2yqr s ILE 111 Ca -0.01 0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 2yqr s ILE 111 Cb 0.10 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 2yqr s ILE 111 CO 0.83 -0.91 0.89 0.20 0.00 0.00 0.00 174.94 175.95 2yqr s ASN 112 N 6.14 7.24 0.35 3.58 -0.87 -1.26 -4.98 114.94 125.14 2yqr s ASN 112 Ca 0.64 1.72 -0.29 0.00 -1.57 0.00 0.00 52.86 53.36 2yqr s ASN 112 Cb -0.14 -2.54 -0.11 0.00 -0.02 0.00 0.00 41.25 38.45 2yqr s ASN 112 CO 0.25 -0.06 1.51 -0.89 -2.57 0.00 0.00 177.10 175.34 2yqr s THR 113 N -1.62 2.09 0.10 1.60 2.01 -1.26 -4.99 115.64 113.56 2yqr s THR 113 Ca 0.49 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.55 2yqr s THR 113 Cb -0.18 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2yqr s THR 113 CO 0.22 0.02 0.16 0.00 -0.69 0.00 0.00 174.62 174.34 2yqr n ALA 114 N 1.00 -0.26 -3.57 7.40 0.00 -1.26 -5.13 120.51 118.69 2yqr n ALA 114 Ca 0.03 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 2yqr n ALA 114 Cb 0.39 0.31 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 2yqr n ALA 114 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2yqr s VAL 115 N -2.64 3.84 0.99 0.00 1.01 -1.26 -5.09 120.40 117.24 2yqr s VAL 115 Ca 0.06 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.10 2yqr s VAL 115 Cb -0.01 -3.50 0.24 0.00 0.00 0.00 0.00 36.38 33.11 2yqr s VAL 115 CO 0.04 -0.65 0.87 -0.81 0.00 0.00 0.00 175.10 174.55 2yqr n PRO 116 N 4.79 -2.73 -4.06 2.72 -0.04 -1.26 -5.07 135.00 129.36 2yqr n PRO 116 Ca -0.07 -1.40 -0.26 0.00 -0.04 0.00 0.00 63.50 61.74 2yqr n PRO 116 Cb 0.42 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 2yqr n PRO 116 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2yqr s LEU 117 N 0.00 3.91 0.21 1.53 1.43 -1.26 -5.09 118.68 119.41 2yqr s LEU 117 Ca 0.57 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 2yqr s LEU 117 Cb -0.06 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 2yqr s LEU 117 CO 0.44 0.05 1.29 -2.16 0.23 0.00 0.00 176.35 176.20 2yqr s PRO 118 N -3.22 4.40 0.00 1.29 0.04 -1.26 -5.33 135.00 130.92 2yqr s PRO 118 Ca 0.32 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.71 2yqr s PRO 118 Cb -0.10 -3.19 1.71 0.00 0.04 0.00 0.00 34.50 32.96 2yqr s PRO 118 CO 0.25 -0.22 2.12 0.41 0.04 0.00 0.00 177.00 179.59