#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqv n SER 25 N 0.00 -6.66 -4.05 1.61 2.88 -1.26 -5.07 113.62 101.08 1uqv n SER 25 Ca 0.00 1.58 -0.15 0.00 -1.33 0.00 0.00 58.87 58.97 1uqv n SER 25 Cb 0.00 -4.87 -0.13 0.00 -0.75 0.00 0.00 64.21 58.46 1uqv n SER 25 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1uqv s HIS 26 N -0.56 0.71 -0.18 0.66 0.00 -1.26 -5.14 115.29 109.52 1uqv s HIS 26 Ca -0.07 -0.36 0.01 0.00 -3.00 0.00 0.00 55.06 51.63 1uqv s HIS 26 Cb 0.00 -0.43 0.03 0.00 -4.00 0.00 0.00 32.58 28.19 1uqv s HIS 26 CO 0.20 -0.04 -0.14 -1.64 -1.00 0.00 0.00 174.74 172.12 1uqv s MET 27 N -1.11 2.34 -0.29 -0.38 1.00 -1.26 -5.09 119.30 114.51 1uqv s MET 27 Ca -0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 55.69 54.73 1uqv s MET 27 Cb -0.07 -2.36 0.13 0.00 0.00 0.00 0.00 34.83 32.53 1uqv s MET 27 CO 0.00 -0.32 0.84 1.21 0.00 0.00 0.00 175.02 176.76 1uqv s ASN 28 N 1.39 -0.75 -0.05 3.03 2.47 -1.26 -5.17 114.94 114.60 1uqv s ASN 28 Ca 0.02 1.14 -0.11 0.00 0.42 0.00 0.00 52.86 54.33 1uqv s ASN 28 Cb -0.14 1.52 0.02 0.00 -1.45 0.00 0.00 41.25 41.20 1uqv s ASN 28 CO -0.10 -0.17 0.26 0.54 -3.72 0.00 0.00 177.10 173.91 1uqv s ASN 29 N 1.88 -0.18 -0.02 -4.21 2.20 -1.26 -5.04 114.94 108.32 1uqv s ASN 29 Ca -0.08 0.21 0.04 0.00 -0.94 0.00 0.00 52.86 52.09 1uqv s ASN 29 Cb -0.06 0.39 -0.05 0.00 -2.00 0.00 0.00 41.25 39.53 1uqv s ASN 29 CO -0.17 -0.28 0.06 -0.62 -2.94 0.00 0.00 177.10 173.14 1uqv n GLU 30 N 2.00 1.28 -2.23 3.55 1.02 -1.26 -4.97 120.64 120.03 1uqv n GLU 30 Ca -0.18 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.51 1uqv n GLU 30 Cb 0.57 -1.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 1uqv n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uqv s ASP 31 N -2.78 6.32 0.00 1.62 1.11 -1.26 -4.85 116.67 116.83 1uqv s ASP 31 Ca -0.01 1.21 0.06 0.00 0.18 0.00 0.00 52.55 53.99 1uqv s ASP 31 Cb 0.02 -2.53 0.27 0.00 1.07 0.00 0.00 42.92 41.75 1uqv s ASP 31 CO 0.15 -1.38 1.16 0.49 1.18 0.00 0.00 175.17 176.77 1uqv n PHE 32 N 8.79 0.00 0.29 4.23 3.72 -1.26 -1.97 117.46 131.27 1uqv n PHE 32 Ca 0.18 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.77 1uqv n PHE 32 Cb 0.47 -0.45 0.83 0.00 -0.94 0.00 0.00 39.48 39.39 1uqv n PHE 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1uqv h SER 33 N 0.00 0.00 0.00 4.37 0.87 -1.94 -2.78 113.55 114.07 1uqv h SER 33 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1uqv h SER 33 Cb 0.09 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1uqv h SER 33 CO 0.00 0.01 -2.07 0.00 -0.53 0.00 0.00 176.83 174.24 1uqv n GLN 34 N -3.10 0.77 -1.74 2.24 1.13 -0.83 -4.91 117.38 110.93 1uqv n GLN 34 Ca -0.00 -0.11 -0.43 0.00 -1.94 0.00 0.00 57.00 54.52 1uqv n GLN 34 Cb 0.24 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1uqv s TRP 35 N -2.98 1.39 0.40 1.08 0.52 -1.05 -4.96 118.94 113.34 1uqv s TRP 35 Ca -0.08 0.59 0.05 0.00 0.02 0.00 0.00 56.10 56.69 1uqv s TRP 35 Cb 0.10 -3.99 0.05 0.00 -1.15 0.00 0.00 33.47 28.48 1uqv s TRP 35 CO 0.80 -3.65 0.44 -1.13 0.02 0.00 0.00 176.95 173.43 1uqv n SER 36 N 11.31 1.81 -0.12 2.95 3.41 -1.26 -2.08 113.62 129.65 1uqv n SER 36 Ca 0.28 -2.19 -0.05 0.00 -0.26 0.00 0.00 58.87 56.64 1uqv n SER 36 Cb 0.46 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1uqv n SER 36 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1uqv h VAL 37 N 0.31 0.90 -0.44 -3.33 2.07 -1.93 -1.39 116.25 112.43 1uqv h VAL 37 Ca -0.21 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1uqv h VAL 37 Cb 0.89 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1uqv h VAL 37 CO 0.32 0.06 0.24 0.44 0.02 0.00 0.00 177.57 178.65 1uqv h ASP 38 N 0.32 0.38 0.29 0.57 5.19 -1.96 -1.54 116.42 119.68 1uqv h ASP 38 Ca 0.18 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1uqv h ASP 38 Cb 0.15 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1uqv h ASP 38 CO -0.18 0.27 -0.14 0.44 -3.12 0.00 0.00 179.24 176.52 1uqv h ASP 39 N 0.49 -0.33 -0.51 6.45 5.19 -1.86 -2.66 116.42 123.19 1uqv h ASP 39 Ca 0.18 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1uqv h ASP 39 Cb 0.04 0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 1uqv h ASP 39 CO -0.10 -0.14 0.23 0.58 -3.12 0.00 0.00 179.24 176.69 1uqv h VAL 40 N -0.52 0.90 0.71 -1.35 2.07 -1.17 -2.41 116.25 114.48 1uqv h VAL 40 Ca -0.04 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1uqv h VAL 40 Cb 0.38 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1uqv h VAL 40 CO 0.07 0.08 -0.48 0.40 0.02 0.00 0.00 177.57 177.66 1uqv h ILE 41 N 0.44 0.00 0.08 4.57 2.04 -1.26 -1.30 117.51 122.09 1uqv h ILE 41 Ca 0.23 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.10 1uqv h ILE 41 Cb 0.19 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1uqv h ILE 41 CO -0.19 0.00 -0.33 0.74 0.00 0.00 0.00 178.15 178.36 1uqv h THR 42 N -1.12 0.00 -0.47 -0.27 2.02 -1.40 -1.71 112.91 109.96 1uqv h THR 42 Ca -0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1uqv h THR 42 Cb 0.91 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.23 1uqv h THR 42 CO 0.07 0.00 -0.23 -0.25 0.37 0.00 0.00 175.52 175.48 1uqv h TRP 43 N -0.48 -0.59 0.00 3.16 7.01 -1.49 0.18 115.95 123.74 1uqv h TRP 43 Ca -0.00 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1uqv h TRP 43 Cb 0.48 0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1uqv h TRP 43 CO -0.39 -0.31 -0.04 0.00 -2.79 0.00 0.00 178.44 174.90 1uqv h ILE 45 N -0.05 0.90 0.00 0.00 2.04 -1.16 0.21 117.51 119.44 1uqv h ILE 45 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1uqv h ILE 45 Cb 0.06 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1uqv h ILE 45 CO -0.03 0.15 0.02 -0.24 0.00 0.00 0.00 178.15 178.05 1uqv n SER 46 N -4.57 0.32 -0.14 1.72 2.88 0.61 -2.89 113.62 111.55 1uqv n SER 46 Ca 0.17 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1uqv n SER 46 Cb 0.39 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1uqv n SER 46 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1uqv n THR 47 N -1.93 0.00 0.00 2.46 5.66 -0.48 -4.99 114.28 115.00 1uqv n THR 47 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1uqv n THR 47 Cb 0.03 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1uqv n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1uqv n LEU 48 N 0.00 0.00 0.00 1.09 0.00 0.62 -5.05 117.00 113.66 1uqv n LEU 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.15 1uqv n LEU 48 Cb 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 43.42 43.46 1uqv n LEU 48 CO 0.00 -0.50 0.00 1.21 0.00 0.00 0.00 177.39 178.10 1uqv n GLU 49 N -2.35 0.00 -1.59 1.96 4.07 -1.26 -5.01 120.64 116.47 1uqv n GLU 49 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1uqv n GLU 49 Cb 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1uqv n VAL 50 N -2.27 0.00 -3.34 6.31 0.24 -1.26 -5.07 118.33 112.94 1uqv n VAL 50 Ca 0.00 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.34 61.53 1uqv n VAL 50 Cb 0.00 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1uqv n VAL 50 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1uqv n GLU 51 N -1.77 1.25 -1.74 7.34 0.28 -1.26 -4.39 120.64 120.35 1uqv n GLU 51 Ca 0.07 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.35 1uqv n GLU 51 Cb 0.27 0.01 -0.01 0.00 1.43 0.00 0.00 31.44 33.14 1uqv n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1uqv n GLU 52 N -0.80 2.57 0.05 3.44 4.71 -1.26 -3.72 120.64 125.63 1uqv n GLU 52 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 57.16 54.62 1uqv n GLU 52 Cb 0.06 -3.26 0.00 0.00 -1.01 0.00 0.00 31.44 27.22 1uqv n GLU 52 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1uqv n THR 53 N 5.58 0.00 -1.40 2.62 -2.24 -1.26 -5.11 114.28 112.47 1uqv n THR 53 Ca 0.51 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.93 1uqv n THR 53 Cb 0.41 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1uqv n THR 53 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uqv n ASP 54 N -2.80 0.45 0.00 3.42 2.03 -1.24 -4.82 116.55 113.58 1uqv n ASP 54 Ca 0.00 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1uqv n ASP 54 Cb 0.00 -1.40 0.01 0.00 -0.72 0.00 0.00 41.12 39.02 1uqv n ASP 54 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1uqv n PRO 55 N -1.66 0.01 -0.31 -0.67 -0.02 -1.26 -2.65 135.00 128.43 1uqv n PRO 55 Ca 0.13 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1uqv n PRO 55 Cb 0.49 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.72 1uqv n PRO 55 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1uqv h LEU 56 N 0.00 0.61 -1.16 2.45 5.85 -1.94 0.23 115.31 121.34 1uqv h LEU 56 Ca 0.00 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1uqv h LEU 56 Cb 0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1uqv h LEU 56 CO 0.00 0.25 -0.27 0.00 -0.34 0.00 0.00 178.44 178.08 1uqv h GLN 58 N 0.22 0.55 -0.01 0.00 1.08 -0.80 -1.86 115.11 114.28 1uqv h GLN 58 Ca 0.03 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1uqv h GLN 58 Cb 0.60 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1uqv h GLN 58 CO 0.04 0.80 -0.01 0.00 -0.95 0.00 0.00 178.83 178.71 1uqv h ARG 59 N 0.47 0.02 -0.65 1.46 2.47 -0.94 -2.18 114.38 115.03 1uqv h ARG 59 Ca 0.06 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1uqv h ARG 59 Cb 0.77 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 1uqv h ARG 59 CO 0.06 0.54 0.43 -0.07 0.56 0.00 0.00 179.97 181.49 1uqv h LEU 60 N -0.50 0.74 0.15 3.04 3.38 -1.46 -2.53 115.31 118.14 1uqv h LEU 60 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1uqv h LEU 60 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1uqv h LEU 60 CO 0.00 0.53 -0.07 -0.09 0.09 0.00 0.00 178.44 178.91 1uqv h ARG 61 N 0.87 -0.19 -0.93 1.13 2.43 -1.38 -2.81 114.38 113.51 1uqv h ARG 61 Ca 0.24 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.60 1uqv h ARG 61 Cb -0.10 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.42 1uqv h ARG 61 CO -0.05 -0.03 0.60 0.93 -1.51 0.00 0.00 179.97 179.90 1uqv h GLU 62 N -0.30 0.57 -4.50 0.20 4.39 -1.25 -3.26 114.58 110.43 1uqv h GLU 62 Ca -0.02 -0.03 -0.73 0.00 0.34 0.00 0.00 59.36 58.91 1uqv h GLU 62 Cb 0.24 -0.13 -0.21 0.00 -0.10 0.00 0.00 28.75 28.55 1uqv h GLU 62 CO 0.03 0.38 0.56 -0.80 -1.16 0.00 0.00 179.01 178.02 1uqv s ASN 63 N -5.61 6.73 -0.67 1.42 0.01 -0.96 -4.98 114.94 110.87 1uqv s ASN 63 Ca -0.10 -2.40 -0.26 0.00 -0.71 0.00 0.00 52.86 49.40 1uqv s ASN 63 Cb 0.23 -2.32 -0.13 0.00 0.41 0.00 0.00 41.25 39.44 1uqv s ASN 63 CO 0.79 -0.83 2.45 -0.67 -1.51 0.00 0.00 177.10 177.33 1uqv n ASP 64 N 5.37 1.62 -3.92 -1.22 2.03 -1.23 -4.87 116.55 114.33 1uqv n ASP 64 Ca 0.21 -0.58 -0.30 0.00 0.52 0.00 0.00 54.79 54.63 1uqv n ASP 64 Cb 0.48 -1.42 -0.15 0.00 -0.72 0.00 0.00 41.12 39.31 1uqv n ASP 64 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1uqv s ILE 65 N 11.44 1.59 0.82 5.18 -1.09 -1.26 -5.11 121.20 132.77 1uqv s ILE 65 Ca 1.06 -1.54 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 1uqv s ILE 65 Cb -0.40 -2.00 0.09 0.00 -1.58 0.00 0.00 42.46 38.57 1uqv s ILE 65 CO 0.29 -0.34 1.11 0.54 -1.23 0.00 0.00 174.94 175.32 1uqv s VAL 66 N 1.31 2.83 0.63 2.92 0.11 -1.26 -4.59 120.40 122.35 1uqv s VAL 66 Ca 0.01 0.28 0.39 0.00 -2.93 0.00 0.00 61.98 59.73 1uqv s VAL 66 Cb -0.19 -2.59 0.41 0.00 -1.53 0.00 0.00 36.38 32.48 1uqv s VAL 66 CO -0.10 -0.35 2.32 1.23 -3.33 0.00 0.00 175.10 174.87 1uqv h GLY 67 N -1.36 0.00 0.72 6.54 0.00 -1.56 -0.69 103.07 106.72 1uqv h GLY 67 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1uqv h GLY 67 CO 0.48 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.36 1uqv n ASP 68 N -3.38 0.00 -0.07 0.19 2.03 -1.25 -3.31 116.55 110.76 1uqv n ASP 68 Ca -0.03 -1.12 -0.08 0.00 0.52 0.00 0.00 54.79 54.08 1uqv n ASP 68 Cb 0.08 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.40 1uqv n ASP 68 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uqv n LEU 69 N -0.86 1.45 -0.15 -2.67 4.32 -0.26 -4.54 117.00 114.30 1uqv n LEU 69 Ca 0.15 -0.04 -0.04 0.00 -0.02 0.00 0.00 56.01 56.06 1uqv n LEU 69 Cb 0.07 -0.11 0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1uqv n LEU 69 CO 0.11 0.53 0.71 -0.07 -1.22 0.00 0.00 177.39 177.45 1uqv h LEU 70 N 0.00 -0.73 -0.50 2.23 4.07 -1.60 0.25 115.31 119.03 1uqv h LEU 70 Ca -0.34 0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1uqv h LEU 70 Cb 1.66 0.40 0.00 0.00 1.08 0.00 0.00 40.66 43.80 1uqv h LEU 70 CO -0.02 -0.24 0.00 -0.81 -1.08 0.00 0.00 178.44 176.29 1uqv n PRO 71 N -5.40 0.11 0.01 1.13 -0.04 -1.26 -2.07 135.00 127.49 1uqv n PRO 71 Ca 0.03 0.39 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1uqv n PRO 71 Cb 0.31 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1uqv n PRO 71 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1uqv n GLU 72 N -1.96 0.58 -2.96 0.54 2.13 0.46 -4.95 120.64 114.48 1uqv n GLU 72 Ca 0.02 -0.12 -0.32 0.00 0.66 0.00 0.00 57.16 57.40 1uqv n GLU 72 Cb 0.18 -1.57 -0.06 0.00 0.27 0.00 0.00 31.44 30.26 1uqv n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1uqv s LEU 73 N -4.50 3.96 0.00 4.31 1.43 0.58 -5.09 118.68 119.37 1uqv s LEU 73 Ca -0.05 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1uqv s LEU 73 Cb 0.13 -4.19 0.07 0.00 0.03 0.00 0.00 46.19 42.23 1uqv s LEU 73 CO 0.88 -0.30 0.55 0.00 0.23 0.00 0.00 176.35 177.71 1uqv h LEU 75 N 0.00 1.00 -0.26 0.00 -0.00 -1.98 -1.17 115.31 112.90 1uqv h LEU 75 Ca -0.24 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.71 1uqv h LEU 75 Cb 1.02 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.45 1uqv h LEU 75 CO 0.36 0.60 -0.02 0.06 -0.00 0.00 0.00 178.44 179.43 1uqv h GLN 76 N 1.11 0.05 -0.62 1.13 3.07 -1.97 -0.68 115.11 117.20 1uqv h GLN 76 Ca 0.46 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.18 1uqv h GLN 76 Cb 0.29 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 1uqv h GLN 76 CO -0.21 0.03 0.32 -0.44 0.09 0.00 0.00 178.83 178.63 1uqv h ASP 77 N 0.05 0.79 -0.91 0.06 5.19 -1.76 -1.97 116.42 117.87 1uqv h ASP 77 Ca 0.13 -0.11 0.15 0.00 -0.62 0.00 0.00 57.03 56.57 1uqv h ASP 77 Cb 0.17 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1uqv h ASP 77 CO -0.23 0.67 0.58 0.00 -3.12 0.00 0.00 179.24 177.15 1uqv h GLN 79 N 0.71 0.98 -0.00 0.00 4.15 -0.39 -1.43 115.11 119.12 1uqv h GLN 79 Ca 0.46 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 1uqv h GLN 79 Cb 0.74 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1uqv h GLN 79 CO -0.22 0.87 -0.26 0.22 -1.93 0.00 0.00 178.83 177.51 1uqv h ASP 80 N 0.90 0.01 1.41 -0.69 3.58 -0.45 -1.86 116.42 119.31 1uqv h ASP 80 Ca 0.20 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1uqv h ASP 80 Cb 0.31 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1uqv h ASP 80 CO -0.00 0.27 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.34 1uqv h LEU 81 N 0.01 0.00 0.00 2.28 -0.00 -0.41 -3.46 115.31 113.73 1uqv h LEU 81 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.56 1uqv h LEU 81 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1uqv h LEU 81 CO 0.03 0.21 -0.04 0.00 -0.00 0.00 0.00 178.44 178.65 1uqv h ASP 83 N 0.05 0.26 0.00 0.00 3.58 -1.88 -3.45 116.42 114.98 1uqv h ASP 83 Ca -0.18 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1uqv h ASP 83 Cb 0.83 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1uqv h ASP 83 CO 0.26 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.38 1uqv n GLY 84 N -1.54 0.55 3.78 -0.78 0.00 -1.24 -5.05 105.19 100.91 1uqv n GLY 84 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1uqv n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uqv s ASP 85 N 0.00 6.58 -0.07 1.61 2.15 -1.26 -4.96 116.67 120.72 1uqv s ASP 85 Ca 0.00 2.08 -0.24 0.00 0.43 0.00 0.00 52.55 54.83 1uqv s ASP 85 Cb 0.00 -2.59 -0.19 0.00 -0.30 0.00 0.00 42.92 39.84 1uqv s ASP 85 CO 0.00 -0.62 0.93 0.25 -0.17 0.00 0.00 175.17 175.56 1uqv h LEU 86 N 2.29 -0.08 -0.66 -1.34 5.85 -1.99 -3.12 115.31 116.26 1uqv h LEU 86 Ca -0.49 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 57.84 1uqv h LEU 86 Cb 1.22 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1uqv h LEU 86 CO 0.61 0.56 0.06 0.78 -0.34 0.00 0.00 178.44 180.11 1uqv h ASN 87 N -0.79 -0.18 -0.78 1.25 2.35 -2.00 0.75 115.58 116.19 1uqv h ASN 87 Ca -0.01 0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.97 1uqv h ASN 87 Cb 0.61 0.24 -0.07 0.00 0.05 0.00 0.00 38.32 39.16 1uqv h ASN 87 CO 0.02 -0.09 0.44 0.50 -1.65 0.00 0.00 177.43 176.65 1uqv h LYS 88 N 0.17 0.74 -0.05 0.81 1.63 -1.98 -0.43 116.57 117.46 1uqv h LYS 88 Ca 0.35 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.06 1uqv h LYS 88 Cb 0.58 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1uqv h LYS 88 CO -0.52 0.49 -0.22 0.00 -3.45 0.00 0.00 179.45 175.75 1uqv h ALA 89 N 1.42 1.55 0.42 5.00 0.00 -0.83 -2.66 119.26 124.16 1uqv h ALA 89 Ca 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1uqv h ALA 89 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uqv h ALA 89 CO -0.23 0.33 -0.20 0.82 0.00 0.00 0.00 179.25 179.97 1uqv h ILE 90 N 0.08 0.58 -0.65 0.00 2.04 0.03 -1.82 117.51 117.77 1uqv h ILE 90 Ca 0.01 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1uqv h ILE 90 Cb 0.43 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1uqv h ILE 90 CO 0.03 0.04 0.43 0.11 0.00 0.00 0.00 178.15 178.77 1uqv h LYS 91 N -0.69 0.58 0.88 2.37 1.79 -1.37 -0.92 116.57 119.20 1uqv h LYS 91 Ca -0.06 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1uqv h LYS 91 Cb 0.50 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1uqv h LYS 91 CO 0.09 0.38 -0.42 0.35 -1.08 0.00 0.00 179.45 178.77 1uqv h PHE 92 N 0.60 -1.10 -0.65 -1.35 3.57 -1.21 -2.35 116.94 114.45 1uqv h PHE 92 Ca 0.29 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1uqv h PHE 92 Cb 0.37 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1uqv h PHE 92 CO -0.00 -0.68 0.43 -0.22 -2.23 0.00 0.00 178.31 175.61 1uqv h LYS 93 N -1.24 0.55 0.46 1.11 1.63 -1.07 -2.77 116.57 115.24 1uqv h LYS 93 Ca -0.12 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 1uqv h LYS 93 Cb 0.91 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1uqv h LYS 93 CO 0.20 0.37 -0.31 0.82 -3.45 0.00 0.00 179.45 177.07 1uqv h ILE 94 N 0.57 0.00 -1.10 2.00 2.04 -1.02 -0.12 117.51 119.88 1uqv h ILE 94 Ca 0.29 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.45 1uqv h ILE 94 Cb 0.40 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.40 1uqv h ILE 94 CO -0.09 0.00 0.74 -0.07 0.00 0.00 0.00 178.15 178.73 1uqv h LEU 95 N -0.73 0.26 -0.49 1.44 3.38 -1.22 0.48 115.31 118.43 1uqv h LEU 95 Ca -0.06 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1uqv h LEU 95 Cb 0.60 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1uqv h LEU 95 CO 0.04 0.04 -0.58 0.40 0.09 0.00 0.00 178.44 178.43 1uqv h ILE 96 N 0.23 1.33 -0.18 1.22 2.04 -1.17 -2.81 117.51 118.17 1uqv h ILE 96 Ca 0.59 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1uqv h ILE 96 Cb 1.83 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 1uqv h ILE 96 CO -0.19 0.57 0.11 -1.13 0.00 0.00 0.00 178.15 177.52 1uqv h ASN 97 N 0.41 0.19 0.03 1.72 -1.24 0.18 -0.10 115.58 116.78 1uqv h ASN 97 Ca 0.00 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1uqv h ASN 97 Cb 1.13 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1uqv h ASN 97 CO 0.11 0.14 -0.02 0.11 -1.29 0.00 0.00 177.43 176.48 1uqv h LYS 98 N 0.24 -0.04 0.00 6.67 6.56 -1.51 -1.73 116.57 126.76 1uqv h LYS 98 Ca 0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1uqv h LYS 98 Cb -0.02 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1uqv h LYS 98 CO -0.02 0.15 -0.04 1.98 -2.06 0.00 0.00 179.45 179.46 1uqv h MET 99 N -0.23 0.00 0.07 3.15 4.05 -1.42 0.18 114.93 120.73 1uqv h MET 99 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1uqv h MET 99 Cb 0.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1uqv h MET 99 CO 0.01 0.04 -0.04 -0.09 0.23 0.00 0.00 176.91 177.06 1uqv h ARG 100 N 0.00 -0.10 0.00 0.39 2.43 -0.61 -3.26 114.38 113.23 1uqv h ARG 100 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1uqv h ARG 100 Cb 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1uqv h ARG 100 CO 0.01 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.66 1uqv n ASP 101 N -4.80 0.33 -1.41 -3.80 9.92 -0.69 -5.01 116.55 111.09 1uqv n ASP 101 Ca -0.07 0.55 0.19 0.00 -0.53 0.00 0.00 54.79 54.93 1uqv n ASP 101 Cb 0.29 -0.63 -0.05 0.00 -0.64 0.00 0.00 41.12 40.08 1uqv n ASP 101 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1uqv n SER 102 N -1.83 -8.43 -4.71 -2.24 7.64 0.60 -4.71 113.62 99.94 1uqv n SER 102 Ca 0.05 0.69 -0.43 0.00 1.01 0.00 0.00 58.87 60.19 1uqv n SER 102 Cb 0.29 -4.36 -0.03 0.00 -1.01 0.00 0.00 64.21 59.10 1uqv n SER 102 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1uqv n LYS 103 N -4.20 2.50 0.00 1.43 0.00 -1.26 -4.91 118.16 111.72 1uqv n LYS 103 Ca -0.00 0.89 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1uqv n LYS 103 Cb 0.65 -2.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.01 1uqv n LYS 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1uqv n LEU 104 N 2.99 0.00 -3.30 -5.58 4.77 -1.26 -5.03 117.00 109.59 1uqv n LEU 104 Ca 0.13 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 1uqv n LEU 104 Cb 0.34 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1uqv n LEU 104 CO 0.64 0.00 -0.19 -1.61 -1.33 0.00 0.00 177.39 174.90 1uqv s GLU 105 N 0.00 0.78 -0.01 3.23 0.41 -1.26 -4.93 118.70 116.91 1uqv s GLU 105 Ca 0.00 -1.35 0.01 0.00 -0.41 0.00 0.00 54.97 53.22 1uqv s GLU 105 Cb 0.00 -0.92 0.02 0.00 -1.78 0.00 0.00 34.13 31.45 1uqv s GLU 105 CO 0.00 -1.28 0.74 0.91 -0.49 0.00 0.00 175.26 175.14 1uqv n TRP 106 N 3.58 0.00 -3.98 1.61 8.01 -1.26 -5.00 117.44 120.40 1uqv n TRP 106 Ca 0.18 -0.19 -0.32 0.00 -1.31 0.00 0.00 57.50 55.86 1uqv n TRP 106 Cb 0.46 -0.03 -0.14 0.00 -2.01 0.00 0.00 31.31 29.59 1uqv n TRP 106 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1uqv s LYS 107 N -0.43 1.78 0.00 -0.99 -2.85 -1.26 -5.27 119.74 110.72 1uqv s LYS 107 Ca 0.02 -1.72 0.00 0.00 -1.00 0.00 0.00 55.97 53.27 1uqv s LYS 107 Cb 0.02 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 1uqv s LYS 107 CO 0.00 -0.87 0.37 -0.40 0.10 0.00 0.00 175.35 174.56