#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 0.51 0.25 1.61 0.01 -1.26 -5.16 113.70 109.66 2yqr s SER 2 Ca 0.00 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.22 2yqr s SER 2 Cb 0.00 1.01 -0.04 0.00 0.21 0.00 0.00 66.02 67.20 2yqr s SER 2 CO 0.00 -0.33 0.17 -0.44 0.41 0.00 0.00 173.24 173.05 2yqr s SER 3 N 2.51 5.44 0.00 2.44 0.01 -1.26 -5.08 113.70 117.76 2yqr s SER 3 Ca 0.11 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2yqr s SER 3 Cb -0.14 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2yqr s SER 3 CO -0.22 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2yqr n GLY 4 N -1.08 1.66 2.71 3.44 0.00 -1.26 -5.12 105.19 105.54 2yqr n GLY 4 Ca -0.08 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 2yqr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqr n SER 5 N 0.00 -4.94 -2.76 1.61 7.64 -1.26 -5.00 113.62 108.92 2yqr n SER 5 Ca 0.00 1.34 -0.04 0.00 1.01 0.00 0.00 58.87 61.18 2yqr n SER 5 Cb 0.00 -4.98 0.04 0.00 -1.01 0.00 0.00 64.21 58.26 2yqr n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yqr n SER 6 N 1.21 1.55 -4.58 6.43 7.64 -1.26 -5.07 113.62 119.54 2yqr n SER 6 Ca -0.17 -2.33 -0.42 0.00 1.01 0.00 0.00 58.87 56.97 2yqr n SER 6 Cb 0.29 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2yqr n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yqr s GLY 7 N -3.52 0.86 0.00 0.23 0.00 -1.26 -4.72 107.32 98.91 2yqr s GLY 7 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.64 2yqr s GLY 7 CO -0.01 2.94 0.00 0.61 0.00 0.00 0.00 173.10 176.64 2yqr n GLY 8 N 5.28 -1.82 0.52 0.20 0.00 -1.26 -5.07 105.19 103.04 2yqr n GLY 8 Ca 0.16 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2yqr n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2yqr n MET 9 N 0.00 0.00 -3.69 1.61 0.00 -1.26 -5.06 117.12 108.72 2yqr n MET 9 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.33 2yqr n MET 9 Cb 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 33.22 32.51 2yqr n MET 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2yqr s HIS 10 N -1.82 3.65 0.22 1.12 5.65 -1.26 -5.10 115.29 117.75 2yqr s HIS 10 Ca 0.00 0.74 -0.01 0.00 0.25 0.00 0.00 55.06 56.04 2yqr s HIS 10 Cb 0.00 -2.10 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 2yqr s HIS 10 CO 0.00 0.66 0.42 0.71 -0.65 0.00 0.00 174.74 175.89 2yqr s TYR 11 N -1.13 3.48 -0.05 3.88 1.51 -1.26 -4.66 117.35 119.13 2yqr s TYR 11 Ca 0.22 0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 2yqr s TYR 11 Cb -0.14 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2yqr s TYR 11 CO 0.11 0.34 -0.22 0.14 -1.11 0.00 0.00 175.55 174.81 2yqr s VAL 12 N -1.93 1.79 0.18 0.71 -7.23 0.41 -5.00 120.40 109.33 2yqr s VAL 12 Ca 0.39 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 2yqr s VAL 12 Cb -0.11 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2yqr s VAL 12 CO 0.29 0.50 -0.17 0.00 -0.31 0.00 0.00 175.10 175.42 2yqr s GLN 13 N -0.08 1.30 0.27 4.82 -2.07 -1.26 -1.34 119.66 121.30 2yqr s GLN 13 Ca -0.04 -1.49 0.03 0.00 -1.82 0.00 0.00 55.36 52.05 2yqr s GLN 13 Cb -0.13 -1.25 -0.06 0.00 -1.09 0.00 0.00 33.01 30.49 2yqr s GLN 13 CO 0.03 0.23 0.04 0.34 -1.32 0.00 0.00 175.29 174.61 2yqr s ASP 14 N -2.96 1.92 -0.18 12.60 -1.08 -0.78 -4.97 116.67 121.21 2yqr s ASP 14 Ca 0.19 -1.31 -0.04 0.00 -0.52 0.00 0.00 52.55 50.86 2yqr s ASP 14 Cb -0.04 0.00 0.09 0.00 -1.46 0.00 0.00 42.92 41.52 2yqr s ASP 14 CO 0.07 -0.59 0.25 -0.54 0.52 0.00 0.00 175.17 174.88 2yqr s LYS 15 N -3.91 0.20 -0.36 4.34 1.02 -1.26 -2.88 119.74 116.89 2yqr s LYS 15 Ca 0.34 0.42 -0.01 0.00 0.02 0.00 0.00 55.97 56.73 2yqr s LYS 15 Cb 0.07 -0.74 0.09 0.00 -0.52 0.00 0.00 37.83 36.73 2yqr s LYS 15 CO 0.12 -0.54 0.10 -0.51 -0.92 0.00 0.00 175.35 173.61 2yqr s LEU 16 N 2.38 4.70 -0.12 3.17 1.02 -0.30 -4.95 118.68 124.59 2yqr s LEU 16 Ca 0.06 -1.81 -0.29 0.00 0.02 0.00 0.00 54.13 52.10 2yqr s LEU 16 Cb -0.15 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 2yqr s LEU 16 CO -0.11 -0.42 1.31 -0.36 0.02 0.00 0.00 176.35 176.79 2yqr s PHE 17 N 1.13 2.81 0.25 0.29 0.40 -1.26 -0.74 117.98 120.86 2yqr s PHE 17 Ca 0.04 0.94 0.15 0.00 -0.60 0.00 0.00 56.93 57.46 2yqr s PHE 17 Cb -0.21 -3.55 0.59 0.00 0.51 0.00 0.00 43.02 40.36 2yqr s PHE 17 CO -0.04 -1.94 1.72 -0.39 0.70 0.00 0.00 175.22 175.27 2yqr h VAL 18 N 5.37 1.15 -5.98 -0.44 -1.51 -1.95 -3.48 116.25 109.41 2yqr h VAL 18 Ca -0.30 -1.67 -0.38 0.00 -1.23 0.00 0.00 66.70 63.12 2yqr h VAL 18 Cb 1.13 1.95 0.11 0.00 -2.13 0.00 0.00 31.29 32.34 2yqr h VAL 18 CO 0.95 0.45 -0.89 0.61 -1.23 0.00 0.00 177.57 177.45 2yqr n GLY 19 N 0.08 -0.87 1.06 5.19 0.00 -1.26 -4.92 105.19 104.48 2yqr n GLY 19 Ca -0.01 0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.95 0.89 0.25 0.99 7.94 -1.26 -4.84 117.00 117.02 2yqr n LEU 20 Ca -0.14 -1.89 0.10 0.00 -1.11 0.00 0.00 56.01 52.97 2yqr n LEU 20 Cb 0.62 -0.06 0.64 0.00 0.53 0.00 0.00 43.42 45.15 2yqr n LEU 20 CO 0.65 0.51 0.93 1.05 -1.11 0.00 0.00 177.39 179.42 2yqr h GLU 21 N 0.65 0.00 0.00 1.96 4.11 -1.96 -1.88 114.58 117.47 2yqr h GLU 21 Ca -0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.21 2yqr h GLU 21 Cb 1.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 2yqr h GLU 21 CO 0.06 0.16 -0.43 1.12 0.07 0.00 0.00 179.01 179.99 2yqr h HIS 22 N 0.00 0.00 -2.64 2.06 2.07 -2.02 -3.45 115.15 111.17 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 0.37 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.45 2yqr h HIS 22 CO 0.00 0.43 0.29 0.00 -3.07 0.00 0.00 177.93 175.58 2yqr n ALA 23 N -2.29 0.24 -1.16 6.11 0.00 -0.71 -4.89 120.51 117.81 2yqr n ALA 23 Ca 0.00 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.48 2yqr n ALA 23 Cb 0.57 -2.11 0.08 0.00 0.00 0.00 0.00 19.45 17.99 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 0.60 1.48 0.34 0.00 0.24 -1.26 -4.86 118.33 114.87 2yqr n VAL 24 Ca 0.09 -0.35 0.15 0.00 -2.04 0.00 0.00 64.34 62.19 2yqr n VAL 24 Cb 0.32 -0.75 0.59 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.63 0.00 0.01 7.34 0.13 -1.95 -2.87 132.00 134.03 2yqr h PRO 25 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.41 0.00 -0.90 1.79 -0.23 0.00 0.00 178.00 179.07 2yqr h THR 26 N 0.00 1.49 -0.46 1.56 1.35 -2.02 -3.22 112.91 111.61 2yqr h THR 26 Ca 0.00 -2.62 -0.07 0.00 -0.55 0.00 0.00 66.41 63.17 2yqr h THR 26 Cb 0.42 2.48 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 2yqr h THR 26 CO 0.00 0.77 0.01 0.15 -0.25 0.00 0.00 175.52 176.20 2yqr h PHE 27 N 0.12 0.79 -5.82 4.73 3.57 -1.86 -3.47 116.94 115.00 2yqr h PHE 27 Ca -0.05 -0.10 -0.25 0.00 3.53 0.00 0.00 57.97 61.10 2yqr h PHE 27 Cb 1.53 -0.22 0.07 0.00 2.79 0.00 0.00 35.95 40.12 2yqr h PHE 27 CO 0.03 0.73 -0.62 0.09 -2.23 0.00 0.00 178.31 176.32 2yqr n ASN 28 N -4.23 -6.43 -0.30 0.41 4.13 -1.22 -4.79 115.26 102.83 2yqr n ASN 28 Ca 0.02 -0.61 0.09 0.00 1.68 0.00 0.00 54.58 55.76 2yqr n ASN 28 Cb 0.28 -4.23 0.32 0.00 -1.54 0.00 0.00 39.78 34.61 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 -0.67 0.90 -0.47 2.41 3.04 -1.91 -1.50 116.25 118.05 2yqr h VAL 29 Ca -0.42 -0.28 0.05 0.00 -1.01 0.00 0.00 66.70 65.04 2yqr h VAL 29 Cb 1.23 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 2yqr h VAL 29 CO 0.39 0.15 0.20 0.50 -1.01 0.00 0.00 177.57 177.81 2yqr h LYS 30 N 0.83 0.39 0.00 4.17 3.64 -1.94 0.13 116.57 123.79 2yqr h LYS 30 Ca 0.45 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 2yqr h LYS 30 Cb 0.56 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2yqr h LYS 30 CO -0.21 0.26 -0.12 0.93 -2.27 0.00 0.00 179.45 178.04 2yqr h GLU 31 N 0.40 0.00 0.02 1.90 5.08 -1.63 -1.74 114.58 118.61 2yqr h GLU 31 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2yqr h GLU 31 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2yqr h GLU 31 CO -0.18 0.12 -0.01 0.87 -1.00 0.00 0.00 179.01 178.81 2yqr h LYS 32 N 0.00 -0.02 -0.95 2.33 1.79 -0.65 0.24 116.57 119.31 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 0.40 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.00 2yqr h LYS 32 CO 0.02 0.55 0.62 -0.24 -1.08 0.00 0.00 179.45 179.31 2yqr h VAL 33 N -0.98 1.11 0.00 0.50 3.04 -0.77 -1.42 116.25 117.73 2yqr h VAL 33 Ca -0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2yqr h VAL 33 Cb 0.58 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2yqr h VAL 33 CO 0.00 0.21 -0.73 -1.84 -1.01 0.00 0.00 177.57 174.20 2yqr n GLU 34 N -4.47 0.27 -1.43 4.17 0.28 -0.66 -4.04 120.64 114.76 2yqr n GLU 34 Ca 0.14 0.05 0.19 0.00 -0.16 0.00 0.00 57.16 57.38 2yqr n GLU 34 Cb 0.16 -1.65 -0.05 0.00 1.43 0.00 0.00 31.44 31.33 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 1.36 -2.04 3.72 -1.84 0.00 0.84 -3.11 105.19 104.11 2yqr n GLY 35 Ca 0.03 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 63.05 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 0.16 0.41 0.04 0.00 0.00 177.00 177.24 2yqr n GLY 37 N 3.17 -0.50 2.42 0.56 0.00 -1.26 -0.11 105.19 109.47 2yqr n GLY 37 Ca 0.10 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.40 0.17 0.00 0.87 -0.47 0.15 113.55 113.87 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 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 2yqr h SER 39 CO 0.51 -0.19 -0.52 1.88 -0.53 0.00 0.00 176.83 177.99 2yqr h TYR 40 N -0.60 -1.49 -0.92 2.24 -1.99 -1.77 -0.88 116.97 111.56 2yqr h TYR 40 Ca -0.05 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.78 2yqr h TYR 40 Cb 0.44 0.63 -0.06 0.00 2.00 0.00 0.00 36.73 39.74 2yqr h TYR 40 CO -0.02 -0.60 0.60 -0.07 -0.00 0.00 0.00 178.16 178.06 2yqr h LEU 41 N -0.78 0.94 -0.61 3.88 4.07 -1.59 -2.06 115.31 119.16 2yqr h LEU 41 Ca -0.01 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.02 2yqr h LEU 41 Cb 0.77 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 2yqr h LEU 41 CO -0.26 0.61 0.29 1.56 -1.08 0.00 0.00 178.44 179.57 2yqr h GLN 42 N 1.07 0.52 0.17 1.13 1.08 0.16 -0.58 115.11 118.66 2yqr h GLN 42 Ca 0.39 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.56 2yqr h GLN 42 Cb 0.15 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2yqr h GLN 42 CO -0.14 0.35 -0.45 1.25 -0.95 0.00 0.00 178.83 178.88 2yqr h HIS 43 N 0.54 -1.30 -0.02 2.96 2.76 -0.44 0.28 115.15 119.93 2yqr h HIS 43 Ca 0.29 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 2yqr h HIS 43 Cb 0.25 0.54 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 2yqr h HIS 43 CO -0.11 -0.53 0.03 0.82 -1.30 0.00 0.00 177.93 176.84 2yqr h ILE 44 N -0.69 0.50 0.00 6.26 2.04 -1.48 0.29 117.51 124.43 2yqr h ILE 44 Ca -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 2yqr h ILE 44 Cb 0.67 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2yqr h ILE 44 CO -0.21 0.00 -0.62 1.56 0.00 0.00 0.00 178.15 178.88 2yqr h GLN 45 N 0.00 0.00 0.00 2.37 4.20 0.48 -2.52 115.11 119.64 2yqr h GLN 45 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2yqr h GLN 45 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2yqr h GLN 45 CO -0.00 0.62 -1.70 -0.89 -0.67 0.00 0.00 178.83 176.20 2yqr n ILE 46 N -3.38 0.96 0.13 2.54 5.41 0.84 -0.62 119.36 125.24 2yqr n ILE 46 Ca 0.01 -0.68 0.01 0.00 1.00 0.00 0.00 62.75 63.09 2yqr n ILE 46 Cb 0.73 -0.51 0.01 0.00 -0.71 0.00 0.00 39.64 39.15 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 -0.55 -3.35 114.58 115.44 2yqr h GLU 47 Ca -0.20 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 2yqr h GLU 47 Cb 1.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2yqr h GLU 47 CO 0.03 0.58 -1.26 0.25 -1.16 0.00 0.00 179.01 177.44 2yqr n THR 48 N -3.25 0.14 -1.08 1.13 -2.24 -0.95 -5.02 114.28 103.01 2yqr n THR 48 Ca 0.02 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 2yqr n THR 48 Cb 0.76 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.44 0.61 3.92 3.38 0.00 0.21 -4.87 105.19 110.88 2yqr n GLY 49 Ca -0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.07 3.82 -0.54 4.61 0.00 -1.19 -5.00 121.76 121.38 2yqr s ALA 50 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 2yqr s ALA 50 Cb 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2yqr s ALA 50 CO 0.00 0.29 1.00 0.15 0.00 0.00 0.00 175.76 177.20 2yqr s LYS 51 N -3.81 3.43 -0.22 0.00 1.02 -0.51 -4.52 119.74 115.13 2yqr s LYS 51 Ca 0.34 -0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 2yqr s LYS 51 Cb -0.09 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2yqr s LYS 51 CO 0.27 -1.48 -0.01 0.08 -0.92 0.00 0.00 175.35 173.30 2yqr s VAL 52 N 4.16 3.70 -0.07 3.17 1.01 -1.26 -0.09 120.40 131.01 2yqr s VAL 52 Ca 0.35 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2yqr s VAL 52 Cb -0.11 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2yqr s VAL 52 CO 0.22 0.41 0.19 0.72 0.00 0.00 0.00 175.10 176.64 2yqr s PHE 53 N 1.33 -0.21 0.16 5.22 -0.12 -0.44 -4.95 117.98 118.96 2yqr s PHE 53 Ca 0.04 0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 57.14 2yqr s PHE 53 Cb -0.15 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 2yqr s PHE 53 CO -0.00 -0.12 1.28 -1.17 -0.05 0.00 0.00 175.22 175.16 2yqr s LEU 54 N 0.30 4.41 0.14 -1.99 2.96 -1.26 -2.07 118.68 121.16 2yqr s LEU 54 Ca -0.02 2.28 0.01 0.00 -0.22 0.00 0.00 54.13 56.18 2yqr s LEU 54 Cb -0.03 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2yqr s LEU 54 CO -0.01 -0.50 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.38 2yqr s ARG 55 N 0.29 0.96 0.00 1.98 0.52 -0.49 -4.83 118.95 117.37 2yqr s ARG 55 Ca 0.58 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2yqr s ARG 55 Cb -0.34 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.02 2yqr s ARG 55 CO 0.35 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.95 2yqr n GLY 56 N -0.13 0.84 3.63 -3.53 0.00 -1.26 -0.37 105.19 104.37 2yqr n GLY 56 Ca -0.08 -2.00 -0.49 0.00 0.00 0.00 0.00 46.02 43.44 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 1.11 1.68 0.00 1.61 4.81 0.81 -0.50 118.16 127.67 2yqr n LYS 57 Ca 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2yqr n LYS 57 Cb 0.00 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.73 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 3.06 3.28 0.23 3.14 0.00 -1.26 -0.12 105.19 113.51 2yqr n GLY 58 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.31 0.00 1.61 4.64 -1.06 -3.47 113.55 115.58 2yqr h SER 59 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2yqr h SER 59 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2yqr h SER 59 CO 0.00 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2yqr n GLY 60 N -0.59 1.59 3.22 -0.77 0.00 -1.26 -4.88 105.19 102.51 2yqr n GLY 60 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 5.78 0.15 -4.60 0.00 1.08 -1.90 -3.35 117.51 114.65 2yqr h ILE 62 Ca -0.15 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2yqr h ILE 62 Cb 1.05 0.96 -0.11 0.00 -3.07 0.00 0.00 36.82 35.66 2yqr h ILE 62 CO 0.85 0.00 -1.29 -0.62 -0.69 0.00 0.00 178.15 176.40 2yqr n GLU 63 N -3.28 -3.70 0.00 2.37 1.02 -1.26 -1.73 120.64 114.06 2yqr n GLU 63 Ca -0.03 2.89 0.07 0.00 -0.02 0.00 0.00 57.16 60.07 2yqr n GLU 63 Cb 0.12 -4.31 0.33 0.00 -0.02 0.00 0.00 31.44 27.56 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 1.34 0.09 -0.15 3.49 -0.04 -1.26 -0.01 135.00 138.47 2yqr n PRO 64 Ca -0.33 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 2yqr n PRO 64 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.58 0.00 0.55 0.00 -1.94 -3.39 119.26 117.63 2yqr h ALA 65 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yqr h ALA 65 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yqr h ALA 65 CO 0.00 0.40 -0.78 0.43 0.00 0.00 0.00 179.25 179.30 2yqr n SER 66 N -4.38 3.43 0.00 0.00 7.64 -1.16 -5.04 113.62 114.11 2yqr n SER 66 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2yqr n SER 66 Cb 0.32 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 2.79 1.32 3.38 0.23 0.00 0.99 -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 0.50 0.00 0.00 0.00 173.32 173.82 2yqr s ARG 68 N -0.13 1.58 1.16 1.61 0.52 -0.70 -4.77 118.95 118.22 2yqr s ARG 68 Ca 0.00 -1.25 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2yqr s ARG 68 Cb 0.00 -1.94 0.18 0.00 0.52 0.00 0.00 34.95 33.71 2yqr s ARG 68 CO 0.00 0.48 0.34 0.39 0.02 0.00 0.00 175.30 176.52 2yqr n GLU 69 N 1.24 -2.20 -0.83 3.54 1.02 -1.17 -4.36 120.64 117.89 2yqr n GLU 69 Ca -0.17 -0.63 -0.30 0.00 -0.02 0.00 0.00 57.16 56.04 2yqr n GLU 69 Cb 0.53 -1.80 0.17 0.00 -0.02 0.00 0.00 31.44 30.31 2yqr n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqr s ALA 70 N -2.25 1.09 0.06 0.62 0.00 -1.26 -4.90 121.76 115.13 2yqr s ALA 70 Ca 0.58 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2yqr s ALA 70 Cb -0.15 -3.33 -0.31 0.00 0.00 0.00 0.00 23.12 19.34 2yqr s ALA 70 CO 0.62 -2.83 1.08 0.35 0.00 0.00 0.00 175.76 174.98 2yqr h PHE 71 N -1.91 0.76 -4.23 0.00 3.57 -1.96 -3.33 116.94 109.84 2yqr h PHE 71 Ca -0.49 -0.54 -0.50 0.00 3.53 0.00 0.00 57.97 59.97 2yqr h PHE 71 Cb 1.28 -0.03 0.06 0.00 2.79 0.00 0.00 35.95 40.05 2yqr h PHE 71 CO 0.44 1.42 0.36 -1.21 -2.23 0.00 0.00 178.31 177.08 2yqr s GLU 72 N -2.68 3.28 0.86 1.11 2.02 -1.26 -4.85 118.70 117.19 2yqr s GLU 72 Ca -0.07 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.32 2yqr s GLU 72 Cb 0.06 -2.12 0.11 0.00 0.10 0.00 0.00 34.13 32.28 2yqr s GLU 72 CO 0.92 -0.69 1.09 -1.25 0.02 0.00 0.00 175.26 175.35 2yqr s PRO 73 N -5.17 1.54 0.75 0.39 0.04 -1.26 -0.14 135.00 131.16 2yqr s PRO 73 Ca 0.55 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 2yqr s PRO 73 Cb -0.11 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2yqr s PRO 73 CO 0.51 -2.07 0.75 0.00 0.04 0.00 0.00 177.00 176.23 2yqr n MET 74 N -3.78 0.32 -3.49 4.56 0.00 0.82 -4.17 117.12 111.38 2yqr n MET 74 Ca 0.08 0.16 -0.09 0.00 0.00 0.00 0.00 57.70 57.84 2yqr n MET 74 Cb 0.55 -2.04 -0.02 0.00 0.00 0.00 0.00 33.22 31.70 2yqr n MET 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2yqr s TYR 75 N -1.94 -0.39 0.08 3.17 -0.85 0.50 -4.04 117.35 113.88 2yqr s TYR 75 Ca 0.69 0.27 -0.30 0.00 -0.52 0.00 0.00 57.07 57.20 2yqr s TYR 75 Cb -0.33 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.50 2yqr s TYR 75 CO 0.55 -0.60 0.98 0.42 -1.52 0.00 0.00 175.55 175.37 2yqr s ILE 76 N -3.15 4.57 -0.21 -3.49 1.01 0.08 -1.40 121.20 118.61 2yqr s ILE 76 Ca 0.04 2.04 0.01 0.00 0.00 0.00 0.00 60.65 62.74 2yqr s ILE 76 Cb -0.01 -4.30 0.05 0.00 0.01 0.00 0.00 42.46 38.20 2yqr s ILE 76 CO -0.09 0.27 -0.11 -0.47 0.00 0.00 0.00 174.94 174.54 2yqr s TYR 77 N 0.29 2.59 -0.05 3.97 6.14 -0.88 -1.15 117.35 128.26 2yqr s TYR 77 Ca 0.49 -1.74 -0.03 0.00 0.64 0.00 0.00 57.07 56.43 2yqr s TYR 77 Cb -0.23 -1.71 -0.04 0.00 0.42 0.00 0.00 41.96 40.40 2yqr s TYR 77 CO 0.30 -0.78 0.10 0.42 0.64 0.00 0.00 175.55 176.23 2yqr s ILE 78 N 1.34 5.01 -0.22 3.14 1.01 -1.14 -1.33 121.20 129.01 2yqr s ILE 78 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 2yqr s ILE 78 Cb -0.17 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.12 2yqr s ILE 78 CO -0.08 0.46 0.02 -0.94 0.00 0.00 0.00 174.94 174.41 2yqr s SER 79 N -1.45 3.23 -0.02 3.58 1.04 0.87 -1.87 113.70 119.08 2yqr s SER 79 Ca 0.20 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.67 2yqr s SER 79 Cb -0.12 -0.74 -0.00 0.00 0.10 0.00 0.00 66.02 65.26 2yqr s SER 79 CO 0.10 -0.30 -0.10 -2.28 0.98 0.00 0.00 173.24 171.64 2yqr s HIS 80 N 1.74 1.04 -1.02 5.02 5.04 -0.45 -1.42 115.29 125.23 2yqr s HIS 80 Ca -0.01 -0.25 0.14 0.00 -1.54 0.00 0.00 55.06 53.40 2yqr s HIS 80 Cb -0.17 -0.72 0.61 0.00 0.04 0.00 0.00 32.58 32.34 2yqr s HIS 80 CO -0.10 -0.08 1.45 -0.35 -2.34 0.00 0.00 174.74 173.32 2yqr n PRO 81 N 3.15 0.01 -4.10 2.88 -0.04 -1.26 -0.45 135.00 135.19 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 -2.98 0.64 0.32 0.54 -0.14 -1.26 -4.54 119.74 112.33 2yqr s LYS 82 Ca 0.07 -0.96 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 2yqr s LYS 82 Cb 0.09 -0.28 0.53 0.00 -1.68 0.00 0.00 37.83 36.50 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 3.96 0.03 0.11 -1.68 0.13 -1.93 -2.83 132.00 129.79 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 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yqr h PRO 83 CO 0.49 0.51 -0.29 0.93 -0.23 0.00 0.00 178.00 179.41 2yqr h GLU 84 N 0.02 -0.43 -0.61 0.86 4.39 -1.97 0.26 114.58 117.10 2yqr h GLU 84 Ca -0.00 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2yqr h GLU 84 Cb 0.87 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 2yqr h GLU 84 CO 0.06 -0.29 0.16 0.78 -1.16 0.00 0.00 179.01 178.57 2yqr h GLY 85 N -0.45 1.04 0.28 -3.84 0.00 -1.90 -2.65 103.07 95.55 2yqr h GLY 85 Ca -0.01 -0.64 0.16 0.00 0.00 0.00 0.00 47.33 46.83 2yqr h GLY 85 CO -0.13 0.60 0.62 -2.00 0.00 0.00 0.00 176.54 175.63 2yqr h LEU 86 N 0.88 0.85 -0.71 3.11 7.12 -1.31 0.34 115.31 125.59 2yqr h LEU 86 Ca 0.19 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.21 2yqr h LEU 86 Cb 0.34 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 2yqr h LEU 86 CO 0.00 0.37 -0.30 0.00 -0.13 0.00 0.00 178.44 178.38 2yqr h ALA 87 N 1.60 0.92 0.00 1.25 0.00 -0.70 -3.01 119.26 119.32 2yqr h ALA 87 Ca 0.54 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2yqr h ALA 87 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2yqr h ALA 87 CO -0.33 0.38 -0.00 0.00 0.00 0.00 0.00 179.25 179.29 2yqr h ALA 88 N 1.70 -0.00 -1.00 0.00 0.00 -0.17 -3.15 119.26 116.63 2yqr h ALA 88 Ca -0.00 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.84 2yqr h ALA 88 Cb 0.96 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2yqr h ALA 88 CO 0.04 -0.00 0.61 0.00 0.00 0.00 0.00 179.25 179.90 2yqr h ALA 89 N -0.49 1.68 -0.33 0.00 0.00 -0.66 0.19 119.26 119.65 2yqr h ALA 89 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2yqr h ALA 89 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2yqr h ALA 89 CO 0.00 -0.04 -0.05 -0.22 0.00 0.00 0.00 179.25 178.94 2yqr h LYS 90 N 0.77 0.54 -0.38 0.00 3.64 -1.65 -0.95 116.57 118.54 2yqr h LYS 90 Ca 0.57 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.68 2yqr h LYS 90 Cb 0.88 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2yqr h LYS 90 CO -0.36 0.60 -0.28 0.87 -2.27 0.00 0.00 179.45 178.01 2yqr h LYS 91 N 0.51 0.86 -0.39 1.90 1.79 -0.62 -2.71 116.57 117.90 2yqr h LYS 91 Ca 0.10 -0.42 -0.15 0.00 -2.18 0.00 0.00 60.65 58.01 2yqr h LYS 91 Cb 0.41 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2yqr h LYS 91 CO 0.02 1.06 -0.33 -0.07 -1.08 0.00 0.00 179.45 179.05 2yqr h LEU 92 N 0.67 0.94 -1.39 2.94 3.38 -1.04 -2.94 115.31 117.86 2yqr h LEU 92 Ca 0.07 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2yqr h LEU 92 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2yqr h LEU 92 CO 0.07 1.18 0.33 0.00 0.09 0.00 0.00 178.44 180.11 2yqr h GLU 94 N 0.75 0.97 -0.08 0.00 4.39 -1.33 -1.76 114.58 117.51 2yqr h GLU 94 Ca 0.20 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.38 2yqr h GLU 94 Cb -0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2yqr h GLU 94 CO -0.04 1.05 -0.54 -0.91 -1.16 0.00 0.00 179.01 177.41 2yqr h ASN 95 N 0.85 0.27 -0.20 1.42 2.35 -1.23 -2.94 115.58 116.09 2yqr h ASN 95 Ca 0.12 -0.14 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 2yqr h ASN 95 Cb 0.72 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2yqr h ASN 95 CO 0.06 0.76 -0.53 0.25 -1.65 0.00 0.00 177.43 176.32 2yqr h LEU 96 N 0.19 0.87 -0.82 1.61 6.46 -1.02 -3.15 115.31 119.44 2yqr h LEU 96 Ca 0.00 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 2yqr h LEU 96 Cb 1.02 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2yqr h LEU 96 CO 0.08 1.23 0.42 -0.07 -0.62 0.00 0.00 178.44 179.48 2yqr h LEU 97 N 0.61 1.06 -2.07 2.25 3.38 -1.25 -1.90 115.31 117.39 2yqr h LEU 97 Ca 0.02 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2yqr h LEU 97 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2yqr h LEU 97 CO 0.11 0.88 0.20 1.56 0.09 0.00 0.00 178.44 181.29 2yqr h GLN 98 N 1.16 0.00 0.26 1.13 1.08 -1.48 0.57 115.11 117.83 2yqr h GLN 98 Ca 0.29 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2yqr h GLN 98 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2yqr h GLN 98 CO -0.04 0.00 -0.12 1.15 -0.95 0.00 0.00 178.83 178.87 2yqr h THR 99 N 0.00 0.00 -0.49 -0.54 2.02 -1.38 -3.04 112.91 109.48 2yqr h THR 99 Ca 0.12 -0.71 0.09 0.00 0.77 0.00 0.00 66.41 66.68 2yqr h THR 99 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2yqr h THR 99 CO -0.00 0.00 0.33 1.62 0.37 0.00 0.00 175.52 177.84 2yqr h VAL 100 N -1.06 0.89 -0.06 3.16 3.04 -1.28 0.22 116.25 121.17 2yqr h VAL 100 Ca -0.04 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.50 2yqr h VAL 100 Cb 0.27 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 2yqr h VAL 100 CO 0.06 0.05 -0.25 0.45 -1.01 0.00 0.00 177.57 176.87 2yqr h HIS 101 N 0.28 0.10 -0.02 3.17 -0.00 -0.97 -2.43 115.15 115.28 2yqr h HIS 101 Ca 0.22 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.43 2yqr h HIS 101 Cb 0.52 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 2yqr h HIS 101 CO -0.00 0.34 -0.66 0.00 -0.00 0.00 0.00 177.93 177.62 2yqr h ALA 102 N 1.66 0.87 -0.31 2.45 0.00 -0.83 -3.11 119.26 119.98 2yqr h ALA 102 Ca 0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2yqr h ALA 102 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2yqr h ALA 102 CO 0.04 0.80 -0.04 0.93 0.00 0.00 0.00 179.25 180.97 2yqr h GLU 103 N 0.06 0.58 -0.34 0.00 4.39 -1.24 -2.92 114.58 115.11 2yqr h GLU 103 Ca -0.01 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2yqr h GLU 103 Cb 1.17 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2yqr h GLU 103 CO 0.09 0.75 0.15 -0.92 -1.16 0.00 0.00 179.01 177.92 2yqr h TYR 104 N 0.36 0.28 -0.11 4.33 3.20 -1.52 0.19 116.97 123.71 2yqr h TYR 104 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2yqr h TYR 104 Cb 0.51 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2yqr h TYR 104 CO 0.05 0.14 0.11 1.03 -1.64 0.00 0.00 178.16 177.84 2yqr h SER 105 N 0.32 0.00 0.69 -2.11 0.87 -1.50 0.21 113.55 112.03 2yqr h SER 105 Ca 0.15 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.48 2yqr h SER 105 Cb 0.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2yqr h SER 105 CO -0.12 0.00 -1.45 0.03 -0.53 0.00 0.00 176.83 174.77 2yqr h ARG 106 N 0.00 0.00 0.04 2.24 3.08 -1.00 -3.19 114.38 115.55 2yqr h ARG 106 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2yqr h ARG 106 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2yqr h ARG 106 CO -0.00 0.46 -0.02 0.35 -1.07 0.00 0.00 179.97 179.68 2yqr h PHE 107 N 0.00 -0.05 -0.09 3.04 3.04 0.94 -3.27 116.94 120.54 2yqr h PHE 107 Ca -0.19 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.78 2yqr h PHE 107 Cb 1.78 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 40.30 2yqr h PHE 107 CO 0.00 0.12 0.10 -0.24 -2.02 0.00 0.00 178.31 176.27 2yqr h VAL 108 N -1.01 0.56 -0.09 1.41 3.04 -0.86 -0.40 116.25 118.90 2yqr h VAL 108 Ca -0.01 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2yqr h VAL 108 Cb 0.20 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2yqr h VAL 108 CO 0.01 0.00 -0.26 -1.13 -1.01 0.00 0.00 177.57 175.18 2yqr h ASN 109 N 0.00 0.15 1.00 3.17 -1.24 -1.65 -2.40 115.58 114.61 2yqr h ASN 109 Ca 0.04 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2yqr h ASN 109 Cb 0.24 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 2yqr h ASN 109 CO -0.00 0.42 -0.52 1.56 -1.29 0.00 0.00 177.43 177.60 2yqr h GLN 110 N 0.14 0.00 -6.19 6.67 1.08 -1.12 -3.42 115.11 112.28 2yqr h GLN 110 Ca 0.02 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.70 2yqr h GLN 110 Cb 0.54 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 2yqr h GLN 110 CO 0.04 0.52 1.24 0.42 -0.95 0.00 0.00 178.83 180.09 2yqr s ILE 111 N -3.33 3.54 -0.24 2.54 1.01 -0.91 -4.78 121.20 119.03 2yqr s ILE 111 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2yqr s ILE 111 Cb 0.10 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.26 2yqr s ILE 111 CO 0.73 -1.03 -0.22 0.59 0.00 0.00 0.00 174.94 175.00 2yqr n ASN 112 N 11.12 2.11 -4.70 3.58 3.02 -1.26 -4.95 115.26 124.17 2yqr n ASN 112 Ca 0.16 -0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2yqr n ASN 112 Cb 0.50 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2yqr n ASN 112 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2yqr s THR 113 N -2.47 2.44 -0.23 3.41 -4.23 -1.26 -4.98 115.64 108.32 2yqr s THR 113 Ca -0.32 0.10 -0.27 0.00 -1.18 0.00 0.00 61.69 60.03 2yqr s THR 113 Cb 0.09 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.95 2yqr s THR 113 CO 0.54 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 175.45 2yqr s ALA 114 N 2.17 -1.85 -0.32 3.99 0.00 -1.26 -5.13 121.76 119.36 2yqr s ALA 114 Ca 0.78 1.82 0.03 0.00 0.00 0.00 0.00 51.96 54.59 2yqr s ALA 114 Cb -0.46 -1.01 0.09 0.00 0.00 0.00 0.00 23.12 21.74 2yqr s ALA 114 CO 0.34 -0.31 0.03 0.08 0.00 0.00 0.00 175.76 175.91 2yqr s VAL 115 N -0.07 2.00 0.25 0.00 1.01 -1.26 -5.11 120.40 117.23 2yqr s VAL 115 Ca -0.01 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.61 2yqr s VAL 115 Cb -0.04 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 2yqr s VAL 115 CO 0.01 -0.52 1.26 -2.16 0.00 0.00 0.00 175.10 173.69 2yqr s PRO 116 N 1.06 4.43 0.19 2.72 0.04 -1.26 -5.05 135.00 137.13 2yqr s PRO 116 Ca 0.08 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.26 2yqr s PRO 116 Cb -0.19 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2yqr s PRO 116 CO -0.10 -0.14 -0.20 -0.48 0.04 0.00 0.00 177.00 176.12 2yqr s LEU 117 N -0.89 2.46 -0.54 -3.56 2.34 -1.26 -5.08 118.68 112.14 2yqr s LEU 117 Ca 0.52 -0.89 -0.27 0.00 0.06 0.00 0.00 54.13 53.55 2yqr s LEU 117 Cb -0.36 -0.94 -0.02 0.00 -0.56 0.00 0.00 46.19 44.30 2yqr s LEU 117 CO 0.43 0.01 1.82 -2.16 -1.06 0.00 0.00 176.35 175.39 2yqr s PRO 118 N -2.87 2.84 0.00 1.48 0.04 -1.26 -5.36 135.00 129.87 2yqr s PRO 118 Ca 0.19 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2yqr s PRO 118 Cb -0.06 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2yqr s PRO 118 CO 0.08 -2.47 0.05 0.41 0.04 0.00 0.00 177.00 175.12