#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 0.00 -4.60 1.61 3.41 -1.26 -5.11 113.62 107.66 1uqv n SER 25 Ca 0.00 -1.00 -0.28 0.00 -0.26 0.00 0.00 58.87 57.33 1uqv n SER 25 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1uqv n SER 25 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1uqv s HIS 26 N 0.00 2.35 0.00 7.33 4.02 -1.26 -5.02 115.29 122.71 1uqv s HIS 26 Ca 0.00 0.47 0.00 0.00 1.02 0.00 0.00 55.06 56.55 1uqv s HIS 26 Cb 0.00 -3.65 0.00 0.00 -1.02 0.00 0.00 32.58 27.91 1uqv s HIS 26 CO 0.00 -2.04 0.00 0.00 1.02 0.00 0.00 174.74 173.72 1uqv n MET 27 N -3.39 4.45 -5.18 1.40 -0.00 -1.26 -5.08 117.12 108.06 1uqv n MET 27 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.49 1uqv n MET 27 Cb 0.60 -0.52 -0.16 0.00 -0.00 0.00 0.00 33.22 33.14 1uqv n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1uqv s ASN 28 N -0.32 3.27 -0.22 3.17 4.22 -1.26 -4.91 114.94 118.88 1uqv s ASN 28 Ca 0.00 -0.45 -0.08 0.00 -2.14 0.00 0.00 52.86 50.18 1uqv s ASN 28 Cb 0.00 -0.88 0.03 0.00 1.28 0.00 0.00 41.25 41.69 1uqv s ASN 28 CO 0.00 0.26 0.16 0.59 -2.04 0.00 0.00 177.10 176.07 1uqv n ASN 29 N 2.89 -3.07 0.06 3.54 5.03 -1.26 -5.04 115.26 117.40 1uqv n ASN 29 Ca -0.17 1.37 0.00 0.00 0.87 0.00 0.00 54.58 56.65 1uqv n ASN 29 Cb 0.52 -5.21 0.00 0.00 -1.02 0.00 0.00 39.78 34.07 1uqv n ASN 29 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1uqv n GLU 30 N 1.40 0.00 -1.71 3.52 4.07 -1.26 -4.98 120.64 121.67 1uqv n GLU 30 Ca -0.28 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.47 1uqv n GLU 30 Cb 0.43 -0.22 -0.03 0.00 -0.06 0.00 0.00 31.44 31.56 1uqv n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1uqv s ASP 31 N -5.34 4.65 0.29 4.31 1.01 -1.26 -4.78 116.67 115.55 1uqv s ASP 31 Ca 0.00 0.76 0.21 0.00 0.71 0.00 0.00 52.55 54.23 1uqv s ASP 31 Cb 0.00 -2.51 1.07 0.00 1.01 0.00 0.00 42.92 42.49 1uqv s ASP 31 CO 0.00 -2.80 1.64 0.33 0.21 0.00 0.00 175.17 174.55 1uqv n PHE 32 N 15.15 0.71 0.55 4.23 7.35 -1.26 -1.10 117.46 143.09 1uqv n PHE 32 Ca 0.33 0.35 0.11 0.00 -0.76 0.00 0.00 57.45 57.48 1uqv n PHE 32 Cb 0.53 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 39.31 1uqv n PHE 32 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uqv n SER 33 N -2.21 0.60 -1.97 -2.13 2.88 -1.26 -4.10 113.62 105.43 1uqv n SER 33 Ca -0.01 -0.23 0.01 0.00 -1.33 0.00 0.00 58.87 57.32 1uqv n SER 33 Cb 0.08 0.87 0.36 0.00 -0.75 0.00 0.00 64.21 64.77 1uqv n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uqv n GLN 34 N -1.97 4.39 -2.36 -1.46 1.13 -0.26 -4.82 117.38 112.03 1uqv n GLN 34 Ca 0.02 -3.13 -0.33 0.00 -1.94 0.00 0.00 57.00 51.62 1uqv n GLN 34 Cb 0.44 -2.26 -0.02 0.00 0.11 0.00 0.00 30.24 28.51 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 -2.87 3.21 0.40 1.08 0.52 -1.24 -5.02 118.94 115.02 1uqv s TRP 35 Ca 0.55 1.52 0.04 0.00 0.02 0.00 0.00 56.10 58.23 1uqv s TRP 35 Cb 0.43 -2.91 -0.06 0.00 -1.15 0.00 0.00 33.47 29.78 1uqv s TRP 35 CO 0.15 -0.65 0.04 -1.12 0.02 0.00 0.00 176.95 175.39 1uqv s SER 36 N -2.70 3.22 0.12 2.95 0.01 -1.26 -4.36 113.70 111.69 1uqv s SER 36 Ca 0.62 -1.46 -0.26 0.00 1.31 0.00 0.00 55.95 56.17 1uqv s SER 36 Cb -0.13 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 1uqv s SER 36 CO 0.29 -0.64 1.64 0.58 0.41 0.00 0.00 173.24 175.52 1uqv h VAL 37 N 1.83 0.44 -0.45 3.43 2.07 -1.98 -0.34 116.25 121.25 1uqv h VAL 37 Ca -0.42 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1uqv h VAL 37 Cb 1.26 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1uqv h VAL 37 CO 0.73 0.00 0.31 -2.24 0.02 0.00 0.00 177.57 176.39 1uqv h ASP 38 N -0.38 0.11 -0.04 0.57 3.04 -1.97 -0.36 116.42 117.38 1uqv h ASP 38 Ca 0.06 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.69 1uqv h ASP 38 Cb 0.46 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 38.74 1uqv h ASP 38 CO -0.21 0.06 -0.60 -0.78 -2.04 0.00 0.00 179.24 175.67 1uqv h ASP 39 N 0.12 0.59 -0.39 4.15 1.82 -1.67 -2.76 116.42 118.28 1uqv h ASP 39 Ca 0.21 -0.72 -0.07 0.00 -0.39 0.00 0.00 57.03 56.06 1uqv h ASP 39 Cb 0.68 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1uqv h ASP 39 CO -0.02 1.23 -0.03 0.58 -1.61 0.00 0.00 179.24 179.38 1uqv h VAL 40 N 0.02 1.27 0.78 2.25 2.07 -0.30 -2.32 116.25 120.02 1uqv h VAL 40 Ca -0.06 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1uqv h VAL 40 Cb 1.28 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1uqv h VAL 40 CO 0.12 0.36 -0.37 0.40 0.02 0.00 0.00 177.57 178.09 1uqv h ILE 41 N 0.53 0.21 0.30 4.57 2.04 -1.19 -0.70 117.51 123.27 1uqv h ILE 41 Ca 0.11 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1uqv h ILE 41 Cb 0.52 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1uqv h ILE 41 CO 0.03 0.01 -0.46 0.74 0.00 0.00 0.00 178.15 178.46 1uqv h THR 42 N -1.09 0.09 -0.17 -0.27 2.02 -1.55 -1.10 112.91 110.84 1uqv h THR 42 Ca -0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1uqv h THR 42 Cb 0.81 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1uqv h THR 42 CO 0.18 0.00 -0.24 -0.25 0.37 0.00 0.00 175.52 175.58 1uqv h TRP 43 N -0.82 -0.63 0.04 3.16 7.01 -1.47 0.61 115.95 123.85 1uqv h TRP 43 Ca -0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1uqv h TRP 43 Cb 0.77 0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 1uqv h TRP 43 CO -0.32 -0.31 -0.19 0.00 -2.79 0.00 0.00 178.44 174.83 1uqv h ILE 45 N -0.27 0.82 0.00 0.00 2.04 -1.12 0.37 117.51 119.35 1uqv h ILE 45 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1uqv h ILE 45 Cb 0.27 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1uqv h ILE 45 CO -0.11 0.14 0.08 -1.20 0.00 0.00 0.00 178.15 177.06 1uqv n SER 46 N -4.78 0.26 -0.06 1.72 7.64 0.20 -2.67 113.62 115.92 1uqv n SER 46 Ca 0.16 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1uqv n SER 46 Cb 0.37 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1uqv n SER 46 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1uqv n THR 47 N -1.84 0.00 0.00 0.44 5.66 -0.37 -4.99 114.28 113.19 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 0.10 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 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 0.04 0.00 1.09 0.00 0.12 -5.05 117.00 113.20 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 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 43.46 1uqv n LEU 48 CO 0.00 -0.48 0.00 1.21 0.00 0.00 0.00 177.39 178.12 1uqv n GLU 49 N -2.30 0.00 -1.75 1.96 2.13 -1.26 -5.00 120.64 114.42 1uqv n GLU 49 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1uqv n GLU 49 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1uqv n VAL 50 N -2.22 0.00 -3.43 6.31 0.24 -1.26 -5.06 118.33 112.91 1uqv n VAL 50 Ca 0.00 -0.94 -0.09 0.00 -2.04 0.00 0.00 64.34 61.27 1uqv n VAL 50 Cb 0.00 -1.17 0.01 0.00 -1.47 0.00 0.00 33.84 31.21 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 -2.27 1.08 -1.75 7.34 0.28 -1.26 -4.36 120.64 119.69 1uqv n GLU 51 Ca 0.10 -1.23 -0.42 0.00 -0.16 0.00 0.00 57.16 55.46 1uqv n GLU 51 Cb 0.37 0.06 -0.01 0.00 1.43 0.00 0.00 31.44 33.29 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 -1.15 2.61 0.00 3.44 1.02 -1.26 -3.55 120.64 121.76 1uqv n GLU 52 Ca 0.02 -2.55 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 1uqv n GLU 52 Cb 0.23 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.38 1uqv n GLU 52 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1uqv n THR 53 N 5.53 0.00 -1.30 2.62 -2.24 -1.26 -5.12 114.28 112.50 1uqv n THR 53 Ca 0.51 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.96 1uqv n THR 53 Cb 0.40 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1uqv n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uqv s ASP 54 N -3.47 4.11 0.00 3.42 2.15 -1.23 -4.88 116.67 116.78 1uqv s ASP 54 Ca 0.00 2.18 0.08 0.00 0.43 0.00 0.00 52.55 55.24 1uqv s ASP 54 Cb 0.00 -2.57 0.42 0.00 -0.30 0.00 0.00 42.92 40.47 1uqv s ASP 54 CO 0.00 -2.31 1.07 -0.81 -0.17 0.00 0.00 175.17 172.95 1uqv n PRO 55 N -3.11 0.15 -0.25 4.34 -0.04 -1.26 -3.00 135.00 131.83 1uqv n PRO 55 Ca 0.12 0.15 0.18 0.00 -0.04 0.00 0.00 63.50 63.91 1uqv n PRO 55 Cb 0.51 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.96 1uqv n PRO 55 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1uqv h LEU 56 N 0.00 0.46 -0.88 1.53 5.85 -1.93 0.30 115.31 120.63 1uqv h LEU 56 Ca 0.00 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1uqv h LEU 56 Cb 0.05 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1uqv h LEU 56 CO 0.00 0.19 -0.36 0.00 -0.34 0.00 0.00 178.44 177.93 1uqv h GLN 58 N 0.33 0.00 -0.24 0.00 4.15 -0.73 -1.65 115.11 116.98 1uqv h GLN 58 Ca 0.04 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.29 1uqv h GLN 58 Cb 0.79 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 1uqv h GLN 58 CO 0.06 0.62 -0.53 0.00 -1.93 0.00 0.00 178.83 177.05 1uqv h ARG 59 N 0.00 0.70 0.03 1.69 2.47 -0.82 -2.53 114.38 115.92 1uqv h ARG 59 Ca -0.01 -0.44 -0.22 0.00 -1.26 0.00 0.00 59.98 58.06 1uqv h ARG 59 Cb 1.27 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.62 1uqv h ARG 59 CO 0.08 1.06 -1.02 -0.07 0.56 0.00 0.00 179.97 180.58 1uqv h LEU 60 N 0.54 0.11 0.15 3.04 3.38 -1.44 -3.32 115.31 117.77 1uqv h LEU 60 Ca 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1uqv h LEU 60 Cb 1.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1uqv h LEU 60 CO 0.11 1.05 -0.07 -0.09 0.09 0.00 0.00 178.44 179.53 1uqv h ARG 61 N 0.02 -0.19 -0.90 1.13 2.43 -1.24 -3.09 114.38 112.54 1uqv h ARG 61 Ca -0.04 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 1uqv h ARG 61 Cb 1.75 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 31.24 1uqv h ARG 61 CO 0.14 0.05 0.47 1.05 -1.51 0.00 0.00 179.97 180.17 1uqv h GLU 62 N -0.42 0.58 -4.37 0.20 4.11 -1.57 -3.24 114.58 109.87 1uqv h GLU 62 Ca -0.02 -0.04 -0.75 0.00 0.07 0.00 0.00 59.36 58.63 1uqv h GLU 62 Cb 0.33 -0.13 -0.22 0.00 0.50 0.00 0.00 28.75 29.23 1uqv h GLU 62 CO 0.03 0.39 0.49 -0.80 0.07 0.00 0.00 179.01 179.19 1uqv s ASN 63 N -5.36 6.76 -0.43 3.06 0.01 -1.17 -4.99 114.94 112.82 1uqv s ASN 63 Ca -0.12 -2.49 -0.27 0.00 -0.71 0.00 0.00 52.86 49.28 1uqv s ASN 63 Cb 0.23 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.54 1uqv s ASN 63 CO 0.78 -0.77 2.29 1.51 -1.51 0.00 0.00 177.10 179.41 1uqv s ASP 64 N 2.76 4.81 -0.19 -1.22 -4.77 -1.23 -4.88 116.67 111.96 1uqv s ASP 64 Ca 0.26 1.23 0.01 0.00 -3.30 0.00 0.00 52.55 50.75 1uqv s ASP 64 Cb -0.07 -2.51 0.04 0.00 -1.09 0.00 0.00 42.92 39.29 1uqv s ASP 64 CO -0.09 -2.57 -0.11 -0.63 0.70 0.00 0.00 175.17 172.47 1uqv s ILE 65 N 10.78 1.62 0.78 2.11 -1.09 -1.26 -5.10 121.20 129.04 1uqv s ILE 65 Ca 0.95 -0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 58.35 1uqv s ILE 65 Cb -0.21 -1.65 0.06 0.00 -1.58 0.00 0.00 42.46 39.08 1uqv s ILE 65 CO 0.28 0.24 1.09 0.54 -1.23 0.00 0.00 174.94 175.86 1uqv s VAL 66 N 1.42 3.29 0.31 2.92 0.11 -1.26 -4.66 120.40 122.53 1uqv s VAL 66 Ca 0.00 0.42 0.36 0.00 -2.93 0.00 0.00 61.98 59.84 1uqv s VAL 66 Cb -0.15 -3.10 0.37 0.00 -1.53 0.00 0.00 36.38 31.96 1uqv s VAL 66 CO -0.09 -0.55 2.11 1.23 -3.33 0.00 0.00 175.10 174.47 1uqv h GLY 67 N -1.06 0.00 2.00 6.54 0.00 -1.81 -0.67 103.07 108.08 1uqv h GLY 67 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1uqv h GLY 67 CO 0.57 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.45 1uqv n ASP 68 N -2.82 0.52 -0.00 0.19 2.03 -1.26 -3.23 116.55 111.98 1uqv n ASP 68 Ca -0.02 0.57 0.07 0.00 0.52 0.00 0.00 54.79 55.93 1uqv n ASP 68 Cb 0.10 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.70 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 -2.01 0.31 -0.06 -2.67 4.77 -0.27 -4.29 117.00 112.79 1uqv n LEU 69 Ca 0.05 -0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1uqv n LEU 69 Cb 0.35 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1uqv n LEU 69 CO 0.26 0.08 0.76 -0.07 -1.33 0.00 0.00 177.39 177.09 1uqv h LEU 70 N 0.00 -0.46 -0.16 2.23 3.38 -1.49 -0.95 115.31 117.86 1uqv h LEU 70 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1uqv h LEU 70 Cb 0.52 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1uqv h LEU 70 CO 0.00 -0.18 -0.30 -0.81 0.09 0.00 0.00 178.44 177.24 1uqv n PRO 71 N -5.31 0.33 0.07 1.13 -0.04 -1.26 -3.80 135.00 126.12 1uqv n PRO 71 Ca -0.01 -0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.27 1uqv n PRO 71 Cb 0.22 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 1uqv n PRO 71 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1uqv h GLU 72 N 0.39 0.00 -6.73 0.54 4.57 -1.53 -3.46 114.58 108.36 1uqv h GLU 72 Ca 0.00 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 1uqv h GLU 72 Cb 0.48 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1uqv h GLU 72 CO 0.00 0.63 -0.07 -0.51 -1.18 0.00 0.00 179.01 177.89 1uqv s LEU 73 N -6.38 3.65 0.00 1.64 1.43 -0.44 -5.08 118.68 113.51 1uqv s LEU 73 Ca 0.01 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1uqv s LEU 73 Cb 0.09 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1uqv s LEU 73 CO 0.79 -0.68 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1uqv n LEU 75 N 0.00 0.00 -0.04 0.00 7.99 -1.26 -3.53 117.00 120.16 1uqv n LEU 75 Ca 0.00 0.39 -0.14 0.00 -0.01 0.00 0.00 56.01 56.25 1uqv n LEU 75 Cb 0.00 -0.39 -0.09 0.00 -0.11 0.00 0.00 43.42 42.84 1uqv n LEU 75 CO 0.00 -0.04 0.51 -0.61 -1.51 0.00 0.00 177.39 175.74 1uqv h GLN 76 N 0.00 0.31 0.93 3.23 -0.00 -1.99 -2.55 115.11 115.04 1uqv h GLN 76 Ca 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 58.65 58.39 1uqv h GLN 76 Cb 0.35 0.03 0.01 0.00 0.00 0.00 0.00 27.48 27.87 1uqv h GLN 76 CO 0.00 0.82 -0.45 0.22 0.00 0.00 0.00 178.83 179.42 1uqv h ASP 77 N -0.15 -1.06 -0.92 -0.69 3.58 -1.95 -2.64 116.42 112.59 1uqv h ASP 77 Ca -0.00 0.04 0.20 0.00 0.42 0.00 0.00 57.03 57.69 1uqv h ASP 77 Cb 0.82 0.27 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 1uqv h ASP 77 CO 0.05 -0.73 0.47 0.00 -2.88 0.00 0.00 179.24 176.15 1uqv h GLN 79 N 0.55 0.47 0.00 0.00 4.15 -1.31 0.18 115.11 119.15 1uqv h GLN 79 Ca 0.55 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.90 1uqv h GLN 79 Cb 0.96 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1uqv h GLN 79 CO -0.45 0.31 -0.20 0.22 -1.93 0.00 0.00 178.83 176.77 1uqv h ASP 80 N 0.48 0.00 1.02 -0.69 3.58 -0.38 -0.96 116.42 119.47 1uqv h ASP 80 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1uqv h ASP 80 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1uqv h ASP 80 CO -0.28 0.20 0.00 0.18 -2.88 0.00 0.00 179.24 176.46 1uqv n LEU 81 N -4.13 0.45 -5.03 2.28 4.32 0.54 -4.81 117.00 110.62 1uqv n LEU 81 Ca -0.02 0.57 -0.19 0.00 -0.02 0.00 0.00 56.01 56.34 1uqv n LEU 81 Cb 0.27 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 1uqv n LEU 81 CO 0.35 -0.24 0.32 0.00 -1.22 0.00 0.00 177.39 176.61 1uqv h ASP 83 N 0.24 0.00 0.00 0.00 3.58 -1.87 -3.45 116.42 114.91 1uqv h ASP 83 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1uqv h ASP 83 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1uqv h ASP 83 CO 0.42 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 1uqv n GLY 84 N -0.40 0.86 3.70 -0.78 0.00 -1.26 -5.12 105.19 102.19 1uqv n GLY 84 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.40 7.28 0.12 1.61 2.15 -1.26 -4.96 116.67 121.21 1uqv s ASP 85 Ca 0.00 1.56 -0.14 0.00 0.43 0.00 0.00 52.55 54.40 1uqv s ASP 85 Cb 0.00 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1uqv s ASP 85 CO 0.00 -0.33 1.53 0.25 -0.17 0.00 0.00 175.17 176.45 1uqv h LEU 86 N 7.34 0.73 -0.78 -1.34 5.85 -2.00 -3.07 115.31 122.05 1uqv h LEU 86 Ca -0.37 -0.36 0.17 0.00 0.84 0.00 0.00 57.88 58.17 1uqv h LEU 86 Cb 1.19 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 1uqv h LEU 86 CO 0.80 0.92 0.25 -1.13 -0.34 0.00 0.00 178.44 178.93 1uqv h ASN 87 N 0.54 0.13 -0.26 1.25 -0.00 -2.00 0.08 115.58 115.31 1uqv h ASN 87 Ca 0.10 0.14 0.02 0.00 -0.00 0.00 0.00 56.30 56.56 1uqv h ASN 87 Cb 0.59 0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 39.05 1uqv h ASN 87 CO 0.04 -0.01 0.12 0.50 -0.00 0.00 0.00 177.43 178.08 1uqv h LYS 88 N 0.33 0.26 -0.24 6.67 1.63 -1.96 -2.15 116.57 121.11 1uqv h LYS 88 Ca 0.45 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 1uqv h LYS 88 Cb 0.78 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1uqv h LYS 88 CO -0.50 0.17 0.03 0.00 -3.45 0.00 0.00 179.45 175.70 1uqv h ALA 89 N 1.13 1.62 0.14 5.00 0.00 -1.01 -2.66 119.26 123.48 1uqv h ALA 89 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uqv h ALA 89 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uqv h ALA 89 CO -0.08 0.29 -0.07 0.82 0.00 0.00 0.00 179.25 180.21 1uqv h ILE 90 N 0.34 0.90 -0.84 0.00 2.04 -0.45 -1.93 117.51 117.56 1uqv h ILE 90 Ca 0.08 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1uqv h ILE 90 Cb 0.18 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1uqv h ILE 90 CO 0.00 0.04 0.55 0.11 0.00 0.00 0.00 178.15 178.84 1uqv h LYS 91 N -0.26 0.80 0.63 2.37 1.79 -1.21 -0.13 116.57 120.57 1uqv h LYS 91 Ca -0.02 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1uqv h LYS 91 Cb 0.20 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1uqv h LYS 91 CO 0.03 0.53 -0.39 0.35 -1.08 0.00 0.00 179.45 178.89 1uqv h PHE 92 N 0.83 -1.04 0.00 -1.35 3.57 -1.12 -2.19 116.94 115.63 1uqv h PHE 92 Ca 0.38 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1uqv h PHE 92 Cb 0.39 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1uqv h PHE 92 CO -0.00 -0.59 -0.03 -0.22 -2.23 0.00 0.00 178.31 175.24 1uqv h LYS 93 N -0.97 0.00 0.72 1.11 1.63 -0.86 -2.83 116.57 115.38 1uqv h LYS 93 Ca -0.08 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1uqv h LYS 93 Cb 0.79 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1uqv h LYS 93 CO 0.08 0.03 -0.35 0.82 -3.45 0.00 0.00 179.45 176.58 1uqv h ILE 94 N 0.00 0.00 -0.98 2.00 2.04 -0.54 0.26 117.51 120.30 1uqv h ILE 94 Ca -0.00 -0.07 0.23 0.00 1.00 0.00 0.00 64.86 66.02 1uqv h ILE 94 Cb 0.06 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.06 1uqv h ILE 94 CO 0.00 0.00 0.64 -0.07 0.00 0.00 0.00 178.15 178.72 1uqv h LEU 95 N -1.04 0.45 -0.52 1.44 3.38 -1.28 0.55 115.31 118.29 1uqv h LEU 95 Ca -0.10 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1uqv h LEU 95 Cb 0.74 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1uqv h LEU 95 CO 0.16 0.14 -0.56 0.40 0.09 0.00 0.00 178.44 178.67 1uqv h ILE 96 N 0.43 1.13 0.49 1.22 2.04 -1.29 -2.52 117.51 119.01 1uqv h ILE 96 Ca 0.53 -2.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 1uqv h ILE 96 Cb 1.31 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1uqv h ILE 96 CO -0.24 0.55 -0.24 -1.13 0.00 0.00 0.00 178.15 177.09 1uqv h ASN 97 N 0.00 -0.56 0.20 1.72 -1.24 0.37 -1.64 115.58 114.45 1uqv h ASN 97 Ca -0.01 -0.04 -0.12 0.00 0.71 0.00 0.00 56.30 56.84 1uqv h ASN 97 Cb 1.20 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 1uqv h ASN 97 CO 0.07 -0.30 -0.45 0.11 -1.29 0.00 0.00 177.43 175.57 1uqv h LYS 98 N -0.80 0.30 0.49 6.67 6.56 -1.56 -2.69 116.57 125.55 1uqv h LYS 98 Ca -0.07 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.34 1uqv h LYS 98 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1uqv h LYS 98 CO 0.11 0.70 -0.24 1.98 -2.06 0.00 0.00 179.45 179.93 1uqv h MET 99 N 0.25 -0.65 -0.02 3.15 4.05 -1.38 0.32 114.93 120.65 1uqv h MET 99 Ca 0.02 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1uqv h MET 99 Cb 0.89 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1uqv h MET 99 CO 0.07 -0.43 -0.05 -0.09 0.23 0.00 0.00 176.91 176.64 1uqv h ARG 100 N -0.67 -0.08 0.00 0.39 9.65 -1.31 -1.52 114.38 120.85 1uqv h ARG 100 Ca -0.07 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1uqv h ARG 100 Cb 0.52 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1uqv h ARG 100 CO 0.11 -0.05 -0.03 0.22 2.80 0.00 0.00 179.97 183.02 1uqv h ASP 101 N -0.08 0.00 -3.94 -3.80 3.58 -1.42 -3.49 116.42 107.28 1uqv h ASP 101 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1uqv h ASP 101 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1uqv h ASP 101 CO -0.07 0.03 -0.75 -1.20 -2.88 0.00 0.00 179.24 174.36 1uqv n SER 102 N -3.21 -6.83 -3.06 2.28 7.64 0.11 -5.04 113.62 105.51 1uqv n SER 102 Ca -0.01 1.32 0.03 0.00 1.01 0.00 0.00 58.87 61.22 1uqv n SER 102 Cb 0.20 -3.76 -0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1uqv n SER 102 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1uqv s LYS 103 N -4.80 0.46 0.00 1.43 2.47 -1.26 -4.95 119.74 113.09 1uqv s LYS 103 Ca 0.00 0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.44 1uqv s LYS 103 Cb 0.00 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1uqv s LYS 103 CO 0.00 -0.73 0.00 1.28 0.16 0.00 0.00 175.35 176.06 1uqv n LEU 104 N 4.53 0.00 -3.17 5.43 7.99 -1.26 -5.02 117.00 125.50 1uqv n LEU 104 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.98 1uqv n LEU 104 Cb 0.58 -0.22 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 1uqv n LEU 104 CO -0.07 -0.38 -0.03 -0.70 -1.51 0.00 0.00 177.39 174.70 1uqv s GLU 105 N -0.75 0.84 -0.02 3.23 2.56 -1.26 -4.96 118.70 118.34 1uqv s GLU 105 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 54.97 54.10 1uqv s GLU 105 Cb 0.00 -0.39 0.04 0.00 2.00 0.00 0.00 34.13 35.77 1uqv s GLU 105 CO 0.00 -1.25 0.82 0.91 -0.56 0.00 0.00 175.26 175.18 1uqv n TRP 106 N 3.78 0.00 -3.37 5.30 8.01 -1.26 -5.01 117.44 124.89 1uqv n TRP 106 Ca 0.15 -0.20 -0.45 0.00 -1.31 0.00 0.00 57.50 55.69 1uqv n TRP 106 Cb 0.52 -0.04 -0.07 0.00 -2.01 0.00 0.00 31.31 29.71 1uqv n TRP 106 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1uqv s LYS 107 N -0.52 2.97 0.00 -0.99 1.02 -1.26 -5.25 119.74 115.71 1uqv s LYS 107 Ca 0.04 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.58 1uqv s LYS 107 Cb 0.04 -4.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.18 1uqv s LYS 107 CO 0.00 -1.12 0.55 -3.47 -0.92 0.00 0.00 175.35 170.39