#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 1.35 -4.87 1.61 7.64 -1.26 -4.92 113.62 113.17 1uqv n SER 25 Ca 0.00 -1.08 -0.25 0.00 1.01 0.00 0.00 58.87 58.55 1uqv n SER 25 Cb 0.00 0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1uqv n SER 25 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1uqv s HIS 26 N -2.61 3.30 -0.39 1.43 3.76 -1.26 -5.02 115.29 114.50 1uqv s HIS 26 Ca 0.18 0.02 0.06 0.00 -0.15 0.00 0.00 55.06 55.18 1uqv s HIS 26 Cb 0.18 -1.56 0.67 0.00 1.11 0.00 0.00 32.58 32.98 1uqv s HIS 26 CO 0.61 0.51 1.83 -1.33 -0.85 0.00 0.00 174.74 175.50 1uqv n MET 27 N -0.61 2.64 0.29 1.40 0.00 -1.26 -4.56 117.12 115.02 1uqv n MET 27 Ca -0.08 -3.05 0.19 0.00 0.00 0.00 0.00 57.70 54.76 1uqv n MET 27 Cb 0.55 -2.14 1.00 0.00 0.00 0.00 0.00 33.22 32.63 1uqv n MET 27 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1uqv h ASN 28 N 1.50 0.00 -3.32 7.83 -1.07 -1.99 -3.40 115.58 115.12 1uqv h ASN 28 Ca 0.47 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 56.27 1uqv h ASN 28 Cb 2.56 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 38.75 1uqv h ASN 28 CO 0.90 0.00 -0.02 0.54 0.07 0.00 0.00 177.43 178.93 1uqv s ASN 29 N -4.75 6.92 0.00 6.14 2.20 -1.26 -4.92 114.94 119.27 1uqv s ASN 29 Ca -0.04 1.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.98 1uqv s ASN 29 Cb 0.11 -2.36 0.00 0.00 -2.00 0.00 0.00 41.25 37.00 1uqv s ASN 29 CO 0.33 0.04 0.00 1.21 -2.94 0.00 0.00 177.10 175.75 1uqv n GLU 30 N 3.10 0.00 -2.15 3.55 4.07 -1.26 -5.07 120.64 122.88 1uqv n GLU 30 Ca -0.06 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.62 1uqv n GLU 30 Cb 0.51 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.87 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 -3.70 6.77 0.18 4.31 1.01 -1.26 -4.87 116.67 119.11 1uqv s ASP 31 Ca 0.00 2.08 0.18 0.00 0.71 0.00 0.00 52.55 55.53 1uqv s ASP 31 Cb 0.00 -2.54 0.83 0.00 1.01 0.00 0.00 42.92 42.22 1uqv s ASP 31 CO 0.00 -0.85 1.57 2.22 0.21 0.00 0.00 175.17 178.32 1uqv n PHE 32 N 6.63 0.52 0.45 4.23 1.16 -1.26 -1.87 117.46 127.31 1uqv n PHE 32 Ca 0.16 0.22 0.13 0.00 -1.87 0.00 0.00 57.45 56.08 1uqv n PHE 32 Cb 0.43 -0.86 0.48 0.00 -1.61 0.00 0.00 39.48 37.92 1uqv n PHE 32 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1uqv h SER 33 N 0.00 0.00 -0.02 5.98 0.02 -1.89 -2.69 113.55 114.95 1uqv h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uqv h SER 33 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1uqv h SER 33 CO 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 175.55 1uqv n GLN 34 N -2.32 1.54 -1.48 3.45 6.02 -0.78 -4.67 117.38 119.14 1uqv n GLN 34 Ca 0.03 -1.28 -0.32 0.00 -0.01 0.00 0.00 57.00 55.42 1uqv n GLN 34 Cb 0.30 -1.33 0.07 0.00 1.02 0.00 0.00 30.24 30.30 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1uqv s TRP 35 N -1.68 2.60 0.48 1.08 0.52 -1.02 -5.06 118.94 115.87 1uqv s TRP 35 Ca 0.18 1.55 0.05 0.00 0.02 0.00 0.00 56.10 57.90 1uqv s TRP 35 Cb 0.14 -3.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1uqv s TRP 35 CO 0.30 -1.75 0.17 0.45 0.02 0.00 0.00 176.95 176.14 1uqv s SER 36 N -3.04 4.33 0.36 2.95 0.15 -1.26 -4.35 113.70 112.84 1uqv s SER 36 Ca 0.64 -1.34 0.13 0.00 0.70 0.00 0.00 55.95 56.08 1uqv s SER 36 Cb -0.19 0.10 0.97 0.00 -1.71 0.00 0.00 66.02 65.20 1uqv s SER 36 CO 0.50 -0.79 1.77 0.58 1.20 0.00 0.00 173.24 176.50 1uqv h VAL 37 N 1.25 0.58 -0.23 4.45 2.07 -1.98 0.08 116.25 122.48 1uqv h VAL 37 Ca -0.42 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1uqv h VAL 37 Cb 1.29 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1uqv h VAL 37 CO 0.69 0.10 0.05 -0.78 0.02 0.00 0.00 177.57 177.64 1uqv h ASP 38 N 0.53 0.35 -0.37 0.57 3.58 -1.98 -1.33 116.42 117.77 1uqv h ASP 38 Ca 0.59 -0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 1uqv h ASP 38 Cb 1.27 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 1uqv h ASP 38 CO -0.35 0.50 0.00 0.44 -2.88 0.00 0.00 179.24 176.96 1uqv h ASP 39 N 0.19 0.71 -0.19 2.28 5.19 -1.44 -2.17 116.42 120.99 1uqv h ASP 39 Ca 0.07 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.27 1uqv h ASP 39 Cb 0.29 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1uqv h ASP 39 CO 0.00 0.78 -0.06 0.58 -3.12 0.00 0.00 179.24 177.42 1uqv h VAL 40 N 0.70 1.29 0.55 -1.35 2.07 -0.94 -2.75 116.25 115.83 1uqv h VAL 40 Ca 0.14 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1uqv h VAL 40 Cb 0.43 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1uqv h VAL 40 CO 0.02 0.32 -0.27 0.40 0.02 0.00 0.00 177.57 178.06 1uqv h ILE 41 N 0.10 0.45 -0.51 4.57 2.04 -1.13 0.17 117.51 123.19 1uqv h ILE 41 Ca 0.05 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1uqv h ILE 41 Cb 0.52 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 1uqv h ILE 41 CO 0.02 0.01 -0.22 0.74 0.00 0.00 0.00 178.15 178.70 1uqv h THR 42 N -0.78 0.33 0.00 -0.27 2.02 -1.46 0.20 112.91 112.95 1uqv h THR 42 Ca -0.08 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1uqv h THR 42 Cb 0.58 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1uqv h THR 42 CO 0.12 0.00 -0.39 -0.25 0.37 0.00 0.00 175.52 175.37 1uqv h TRP 43 N -0.10 0.00 0.00 3.16 7.01 -1.42 0.37 115.95 124.97 1uqv h TRP 43 Ca 0.24 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1uqv h TRP 43 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1uqv h TRP 43 CO -0.51 0.39 0.00 0.00 -2.79 0.00 0.00 178.44 175.53 1uqv n ILE 45 N -2.10 0.00 0.14 0.00 5.41 -0.35 -4.40 119.36 118.06 1uqv n ILE 45 Ca 0.03 -0.22 -0.06 0.00 1.00 0.00 0.00 62.75 63.50 1uqv n ILE 45 Cb 0.25 0.72 -0.03 0.00 -0.71 0.00 0.00 39.64 39.87 1uqv n ILE 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1uqv h SER 46 N 0.00 -0.31 -0.28 4.38 0.02 -0.21 -3.36 113.55 113.79 1uqv h SER 46 Ca 0.00 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1uqv h SER 46 Cb 0.01 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.55 1uqv h SER 46 CO 0.00 -0.20 -0.16 1.07 -1.14 0.00 0.00 176.83 176.40 1uqv n THR 47 N -3.12 2.48 0.00 -2.27 5.66 -1.25 -4.78 114.28 111.00 1uqv n THR 47 Ca -0.05 -2.83 0.00 0.00 -3.05 0.00 0.00 64.05 58.13 1uqv n THR 47 Cb 0.14 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 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 -1.12 0.03 0.00 1.09 7.94 -1.26 -5.06 117.00 118.62 1uqv n LEU 48 Ca 0.30 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1uqv n LEU 48 Cb 0.96 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1uqv n LEU 48 CO 0.14 -0.48 0.00 -0.62 -1.11 0.00 0.00 177.39 175.32 1uqv n GLU 49 N -2.32 0.00 -1.05 1.96 -0.58 -1.26 -5.02 120.64 112.37 1uqv n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1uqv n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1uqv n VAL 50 N -1.67 0.00 -2.99 2.62 0.24 -1.26 -5.08 118.33 110.19 1uqv n VAL 50 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1uqv n VAL 50 Cb 0.00 -0.88 0.02 0.00 -1.47 0.00 0.00 33.84 31.52 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 -0.82 0.85 -2.08 7.34 0.28 -1.26 -4.56 120.64 120.40 1uqv n GLU 51 Ca 0.00 -1.00 -0.42 0.00 -0.16 0.00 0.00 57.16 55.58 1uqv n GLU 51 Cb 0.00 -0.08 -0.00 0.00 1.43 0.00 0.00 31.44 32.79 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 -1.42 2.95 0.00 3.44 4.71 -1.26 -3.85 120.64 125.21 1uqv n GLU 52 Ca 0.05 -2.87 0.00 0.00 -0.01 0.00 0.00 57.16 54.34 1uqv n GLU 52 Cb 0.19 -3.38 0.00 0.00 -1.01 0.00 0.00 31.44 27.25 1uqv n GLU 52 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1uqv n THR 53 N 5.70 0.00 -2.45 2.62 5.66 -1.26 -5.10 114.28 119.44 1uqv n THR 53 Ca 0.51 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 61.12 1uqv n THR 53 Cb 0.42 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.16 1uqv n THR 53 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1uqv s ASP 54 N -2.41 6.88 0.00 1.09 2.15 -1.25 -4.90 116.67 118.23 1uqv s ASP 54 Ca 0.00 2.20 0.01 0.00 0.43 0.00 0.00 52.55 55.19 1uqv s ASP 54 Cb 0.00 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.08 1uqv s ASP 54 CO 0.00 -0.41 0.57 -2.65 -0.17 0.00 0.00 175.17 172.51 1uqv n PRO 55 N 0.42 0.03 -0.34 4.34 -0.02 -1.26 -3.33 135.00 134.84 1uqv n PRO 55 Ca 0.03 0.01 0.21 0.00 -2.02 0.00 0.00 63.50 61.73 1uqv n PRO 55 Cb 0.47 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.53 -1.00 2.45 5.85 -1.90 0.26 115.31 121.50 1uqv h LEU 56 Ca 0.00 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1uqv h LEU 56 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1uqv h LEU 56 CO 0.00 0.09 0.06 0.00 -0.34 0.00 0.00 178.44 178.24 1uqv h GLN 58 N 0.74 -0.10 0.00 0.00 5.75 -0.78 0.13 115.11 120.86 1uqv h GLN 58 Ca 0.15 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1uqv h GLN 58 Cb 0.37 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1uqv h GLN 58 CO 0.01 0.21 -0.08 0.00 -2.65 0.00 0.00 178.83 176.32 1uqv h ARG 59 N -0.40 0.00 0.00 1.69 2.47 -1.38 -1.68 114.38 115.08 1uqv h ARG 59 Ca -0.01 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 1uqv h ARG 59 Cb 0.35 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 1uqv h ARG 59 CO 0.02 0.08 -1.48 1.25 0.56 0.00 0.00 179.97 180.40 1uqv h LEU 60 N 0.00 0.00 -0.56 3.04 5.85 -1.12 -3.34 115.31 119.19 1uqv h LEU 60 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1uqv h LEU 60 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1uqv h LEU 60 CO 0.01 0.98 -0.67 -0.09 -0.34 0.00 0.00 178.44 178.34 1uqv h ARG 61 N 0.00 0.00 0.45 1.25 2.43 -0.07 -3.32 114.38 115.13 1uqv h ARG 61 Ca -0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1uqv h ARG 61 Cb 1.92 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.46 1uqv h ARG 61 CO 0.09 0.67 -0.41 1.49 -1.51 0.00 0.00 179.97 180.30 1uqv h GLU 62 N 0.00 -0.82 -6.01 0.20 4.81 -1.45 -3.32 114.58 107.99 1uqv h GLU 62 Ca -0.01 0.06 -0.52 0.00 -0.13 0.00 0.00 59.36 58.76 1uqv h GLU 62 Cb 1.25 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.73 1uqv h GLU 62 CO 0.09 -0.55 1.31 -0.80 -0.73 0.00 0.00 179.01 178.33 1uqv s ASN 63 N -3.91 6.16 -0.57 1.04 0.01 -1.25 -4.92 114.94 111.50 1uqv s ASN 63 Ca -0.15 -1.27 -0.28 0.00 -0.71 0.00 0.00 52.86 50.46 1uqv s ASN 63 Cb 0.03 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 39.02 1uqv s ASN 63 CO 0.48 -1.82 2.45 -0.67 -1.51 0.00 0.00 177.10 176.03 1uqv n ASP 64 N 10.18 1.94 -3.97 -1.22 -0.08 -1.25 -4.91 116.55 117.24 1uqv n ASP 64 Ca 0.35 -0.27 -0.29 0.00 -1.51 0.00 0.00 54.79 53.07 1uqv n ASP 64 Cb 0.50 -1.43 -0.16 0.00 2.34 0.00 0.00 41.12 42.37 1uqv n ASP 64 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1uqv s ILE 65 N 11.03 1.41 0.86 5.18 -1.09 -1.26 -5.13 121.20 132.21 1uqv s ILE 65 Ca 1.07 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1uqv s ILE 65 Cb -0.45 -1.43 0.11 0.00 -1.58 0.00 0.00 42.46 39.10 1uqv s ILE 65 CO 0.33 0.31 1.09 0.54 -1.23 0.00 0.00 174.94 175.98 1uqv s VAL 66 N 1.53 2.82 0.53 2.92 0.11 -1.26 -4.78 120.40 122.27 1uqv s VAL 66 Ca 0.03 0.27 0.18 0.00 -2.93 0.00 0.00 61.98 59.52 1uqv s VAL 66 Cb -0.14 -2.80 0.28 0.00 -1.53 0.00 0.00 36.38 32.19 1uqv s VAL 66 CO -0.09 -0.35 2.16 1.23 -3.33 0.00 0.00 175.10 174.72 1uqv h GLY 67 N -1.41 0.00 2.00 6.54 0.00 -1.75 -0.57 103.07 107.88 1uqv h GLY 67 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1uqv h GLY 67 CO 0.55 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.29 1uqv h ASP 68 N 0.00 0.00 -0.40 0.19 1.82 -1.83 -2.55 116.42 113.65 1uqv h ASP 68 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1uqv h ASP 68 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1uqv h ASP 68 CO 0.00 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.81 1uqv n LEU 69 N -3.08 3.30 0.05 2.28 4.32 -0.24 -4.53 117.00 119.10 1uqv n LEU 69 Ca 0.01 -1.61 -0.12 0.00 -0.02 0.00 0.00 56.01 54.26 1uqv n LEU 69 Cb 0.31 -0.26 -0.07 0.00 -1.62 0.00 0.00 43.42 41.77 1uqv n LEU 69 CO 0.27 0.74 0.83 -0.07 -1.22 0.00 0.00 177.39 177.94 1uqv h LEU 70 N 3.79 -0.05 0.00 2.23 3.38 -1.21 -2.43 115.31 121.03 1uqv h LEU 70 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uqv h LEU 70 Cb 0.89 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1uqv h LEU 70 CO 0.00 0.02 0.00 -0.81 0.09 0.00 0.00 178.44 177.74 1uqv n PRO 71 N -5.09 0.65 -0.33 1.13 -0.04 -1.26 -3.14 135.00 126.93 1uqv n PRO 71 Ca -0.08 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1uqv n PRO 71 Cb 0.07 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.23 1uqv n PRO 71 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uqv n GLU 72 N -1.14 2.46 -4.68 0.54 -0.58 -0.91 -4.87 120.64 111.46 1uqv n GLU 72 Ca 0.17 -1.58 -0.28 0.00 -0.42 0.00 0.00 57.16 55.05 1uqv n GLU 72 Cb 0.16 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.31 1uqv n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1uqv s LEU 73 N -1.22 2.22 0.00 -4.62 1.43 -1.19 -5.08 118.68 110.22 1uqv s LEU 73 Ca 0.28 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1uqv s LEU 73 Cb 0.18 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 45.30 1uqv s LEU 73 CO 0.14 0.20 0.61 0.00 0.23 0.00 0.00 176.35 177.54 1uqv h LEU 75 N 0.00 0.00 0.00 0.00 -0.00 -1.98 -1.67 115.31 111.66 1uqv h LEU 75 Ca -0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.61 1uqv h LEU 75 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 1uqv h LEU 75 CO 0.26 0.00 -0.42 -0.61 -0.00 0.00 0.00 178.44 177.68 1uqv h GLN 76 N 0.00 0.00 0.00 1.13 -0.00 -1.99 -2.34 115.11 111.91 1uqv h GLN 76 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1uqv h GLN 76 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1uqv h GLN 76 CO 0.00 0.74 -0.07 -0.44 0.00 0.00 0.00 178.83 179.06 1uqv h ASP 77 N -1.00 0.00 0.34 -0.69 5.19 -1.86 -2.46 116.42 115.94 1uqv h ASP 77 Ca -0.10 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.98 1uqv h ASP 77 Cb 0.88 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 1uqv h ASP 77 CO -0.06 0.07 -1.74 0.00 -3.12 0.00 0.00 179.24 174.39 1uqv h GLN 79 N 0.06 1.17 0.00 0.00 4.15 -0.97 -0.73 115.11 118.79 1uqv h GLN 79 Ca -0.32 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 58.96 1uqv h GLN 79 Cb 2.03 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1uqv h GLN 79 CO 0.12 0.79 -0.26 0.22 -1.93 0.00 0.00 178.83 177.77 1uqv h ASP 80 N 1.19 0.00 1.28 -0.69 1.82 -1.62 -1.62 116.42 116.79 1uqv h ASP 80 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1uqv h ASP 80 Cb -0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1uqv h ASP 80 CO -0.06 0.26 0.00 0.18 -1.61 0.00 0.00 179.24 178.01 1uqv n LEU 81 N -3.91 0.58 0.00 2.28 4.32 -0.34 -4.77 117.00 115.17 1uqv n LEU 81 Ca -0.02 0.56 -0.20 0.00 -0.02 0.00 0.00 56.01 56.33 1uqv n LEU 81 Cb 0.34 -0.39 0.05 0.00 -1.62 0.00 0.00 43.42 41.81 1uqv n LEU 81 CO 0.35 -0.16 0.28 0.00 -1.22 0.00 0.00 177.39 176.65 1uqv h ASP 83 N 0.23 0.15 0.00 0.00 3.58 -1.89 -3.45 116.42 115.03 1uqv h ASP 83 Ca -0.28 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1uqv h ASP 83 Cb 1.21 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1uqv h ASP 83 CO 0.41 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.49 1uqv n GLY 84 N -1.51 0.61 3.74 -0.78 0.00 -1.26 -5.09 105.19 100.90 1uqv n GLY 84 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1uqv n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uqv s ASP 85 N 0.00 7.26 0.07 1.61 1.11 -1.26 -4.96 116.67 120.50 1uqv s ASP 85 Ca 0.00 2.08 -0.17 0.00 0.18 0.00 0.00 52.55 54.63 1uqv s ASP 85 Cb 0.00 -2.60 -0.11 0.00 1.07 0.00 0.00 42.92 41.28 1uqv s ASP 85 CO 0.00 -0.24 1.38 0.25 1.18 0.00 0.00 175.17 177.74 1uqv h LEU 86 N 5.25 0.58 -1.35 1.23 5.85 -1.97 -3.07 115.31 121.82 1uqv h LEU 86 Ca -0.44 -0.48 0.15 0.00 0.84 0.00 0.00 57.88 57.95 1uqv h LEU 86 Cb 1.21 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1uqv h LEU 86 CO 0.73 0.94 0.56 0.78 -0.34 0.00 0.00 178.44 181.11 1uqv h ASN 87 N 0.23 0.59 -0.22 1.25 4.21 -2.00 -1.10 115.58 118.54 1uqv h ASN 87 Ca 0.03 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.58 1uqv h ASN 87 Cb 0.78 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1uqv h ASN 87 CO 0.06 0.29 0.12 0.50 -1.29 0.00 0.00 177.43 177.10 1uqv h LYS 88 N 0.62 0.30 0.00 0.81 1.63 -1.95 -2.36 116.57 115.62 1uqv h LYS 88 Ca 0.44 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.17 1uqv h LYS 88 Cb 0.79 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1uqv h LYS 88 CO -0.19 0.28 -0.14 0.00 -3.45 0.00 0.00 179.45 175.95 1uqv h ALA 89 N 1.00 1.73 0.33 5.00 0.00 -1.21 -2.43 119.26 123.69 1uqv h ALA 89 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uqv h ALA 89 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uqv h ALA 89 CO -0.01 0.18 -0.16 0.82 0.00 0.00 0.00 179.25 180.07 1uqv h ILE 90 N 0.00 0.69 -0.35 0.00 2.04 -0.85 -1.88 117.51 117.16 1uqv h ILE 90 Ca -0.00 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1uqv h ILE 90 Cb 0.25 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1uqv h ILE 90 CO 0.02 0.06 0.24 0.11 0.00 0.00 0.00 178.15 178.57 1uqv h LYS 91 N -0.60 0.22 0.76 2.37 1.79 -1.24 -1.37 116.57 118.50 1uqv h LYS 91 Ca -0.05 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1uqv h LYS 91 Cb 0.43 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1uqv h LYS 91 CO 0.08 0.14 -0.37 0.35 -1.08 0.00 0.00 179.45 178.57 1uqv h PHE 92 N 0.22 -0.95 -0.04 -1.35 3.57 -1.04 -2.26 116.94 115.10 1uqv h PHE 92 Ca 0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1uqv h PHE 92 Cb 0.33 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1uqv h PHE 92 CO -0.00 -0.59 0.09 -0.22 -2.23 0.00 0.00 178.31 175.36 1uqv h LYS 93 N -1.07 0.00 0.00 1.11 3.64 -1.03 -2.68 116.57 116.55 1uqv h LYS 93 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1uqv h LYS 93 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1uqv h LYS 93 CO 0.17 0.00 0.00 -0.89 -2.27 0.00 0.00 179.45 176.46 1uqv n ILE 94 N -3.39 0.00 -0.16 2.00 5.41 -0.55 -0.70 119.36 121.98 1uqv n ILE 94 Ca -0.02 1.04 0.29 0.00 1.00 0.00 0.00 62.75 65.06 1uqv n ILE 94 Cb 0.17 -2.02 0.72 0.00 -0.71 0.00 0.00 39.64 37.80 1uqv n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1uqv h LEU 95 N 0.00 0.00 0.03 1.39 4.07 -1.34 0.38 115.31 119.85 1uqv h LEU 95 Ca 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.68 1uqv h LEU 95 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 1uqv h LEU 95 CO 0.00 0.00 -1.15 0.40 -1.08 0.00 0.00 178.44 176.61 1uqv h ILE 96 N 0.00 1.33 0.04 1.22 2.04 -1.49 -2.17 117.51 118.48 1uqv h ILE 96 Ca 0.41 -2.48 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 1uqv h ILE 96 Cb 1.82 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 40.50 1uqv h ILE 96 CO -0.00 0.75 -0.02 -1.13 0.00 0.00 0.00 178.15 177.75 1uqv h ASN 97 N 0.27 -0.05 0.37 1.72 -0.73 0.20 -2.04 115.58 115.32 1uqv h ASN 97 Ca -0.15 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 57.90 1uqv h ASN 97 Cb 1.81 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 40.40 1uqv h ASN 97 CO 0.21 -0.00 -0.41 0.11 -0.37 0.00 0.00 177.43 176.97 1uqv h LYS 98 N -0.09 0.06 0.41 6.67 6.56 -1.49 -1.37 116.57 127.31 1uqv h LYS 98 Ca -0.01 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1uqv h LYS 98 Cb 0.08 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1uqv h LYS 98 CO 0.01 0.46 -0.20 1.98 -2.06 0.00 0.00 179.45 179.64 1uqv h MET 99 N 0.05 -0.54 0.00 3.15 4.05 -1.00 -0.32 114.93 120.32 1uqv h MET 99 Ca 0.00 0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1uqv h MET 99 Cb 0.75 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1uqv h MET 99 CO 0.06 -0.34 -0.31 -0.09 0.23 0.00 0.00 176.91 176.46 1uqv h ARG 100 N -0.60 0.00 -0.04 0.39 2.43 -1.36 -2.99 114.38 112.21 1uqv h ARG 100 Ca -0.06 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 1uqv h ARG 100 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1uqv h ARG 100 CO 0.09 0.31 -0.61 0.22 -1.51 0.00 0.00 179.97 178.48 1uqv h ASP 101 N 0.00 0.16 -2.46 -3.80 1.82 -0.98 -3.44 116.42 107.72 1uqv h ASP 101 Ca -0.00 -0.09 -0.55 0.00 -0.39 0.00 0.00 57.03 55.99 1uqv h ASP 101 Cb 0.87 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.83 1uqv h ASP 101 CO 0.04 0.73 1.22 -0.44 -1.61 0.00 0.00 179.24 179.17 1uqv s SER 102 N -6.88 6.32 -0.04 2.28 0.01 -0.15 -4.28 113.70 110.95 1uqv s SER 102 Ca -0.03 2.18 -0.04 0.00 1.31 0.00 0.00 55.95 59.37 1uqv s SER 102 Cb 0.12 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1uqv s SER 102 CO 0.78 -1.23 0.08 1.17 0.41 0.00 0.00 173.24 174.46 1uqv n LYS 103 N 7.67 -4.86 0.00 12.44 4.81 -1.26 -5.01 118.16 131.95 1uqv n LYS 103 Ca 0.21 3.58 0.00 0.00 -0.87 0.00 0.00 58.31 61.23 1uqv n LYS 103 Cb 0.43 -4.71 0.00 0.00 0.02 0.00 0.00 35.03 30.78 1uqv n LYS 103 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1uqv n LEU 104 N 1.73 0.00 -2.23 3.14 -0.00 -1.26 -4.98 117.00 113.40 1uqv n LEU 104 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.81 1uqv n LEU 104 Cb 0.21 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.67 1uqv n LEU 104 CO 0.12 -0.49 0.09 -0.62 -0.00 0.00 0.00 177.39 176.49 1uqv n GLU 105 N -2.48 2.12 -2.75 1.96 1.02 -1.26 -4.80 120.64 114.45 1uqv n GLU 105 Ca 0.00 -3.53 -0.03 0.00 -0.02 0.00 0.00 57.16 53.58 1uqv n GLU 105 Cb 0.00 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 29.83 1uqv n GLU 105 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1uqv n TRP 106 N -0.55 1.40 -3.47 -0.32 2.14 -1.26 -5.03 117.44 110.35 1uqv n TRP 106 Ca 0.20 -2.22 -0.43 0.00 2.07 0.00 0.00 57.50 57.12 1uqv n TRP 106 Cb 0.89 -0.25 -0.06 0.00 -0.81 0.00 0.00 31.31 31.07 1uqv n TRP 106 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 1uqv s LYS 107 N -3.73 2.83 0.00 -2.67 2.20 -1.26 -5.07 119.74 112.04 1uqv s LYS 107 Ca 0.29 -1.98 0.00 0.00 -0.36 0.00 0.00 55.97 53.92 1uqv s LYS 107 Cb 0.34 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1uqv s LYS 107 CO -0.03 -1.24 0.12 -0.40 -0.36 0.00 0.00 175.35 173.44