#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq n SER 2 N 0.00 3.92 -0.05 1.61 7.64 -1.26 -4.93 113.62 120.55 1wyq n SER 2 Ca 0.00 1.04 -0.01 0.00 1.01 0.00 0.00 58.87 60.91 1wyq n SER 2 Cb 0.00 -1.55 -0.00 0.00 -1.01 0.00 0.00 64.21 61.65 1wyq n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wyq h SER 3 N 7.30 0.00 0.00 6.43 0.02 -2.02 -3.45 113.55 121.83 1wyq h SER 3 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1wyq h SER 3 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1wyq h SER 3 CO 0.95 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 177.72 1wyq n GLY 4 N 1.78 0.07 3.68 -3.77 0.00 -1.26 -5.03 105.19 100.66 1wyq n GLY 4 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1wyq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyq n SER 5 N 0.00 1.45 -4.16 1.61 2.88 -1.26 -5.03 113.62 109.11 1wyq n SER 5 Ca 0.00 0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 58.24 1wyq n SER 5 Cb 0.00 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 61.88 1wyq n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wyq s SER 6 N -1.36 0.61 0.34 -3.46 1.04 -1.26 -4.86 113.70 104.75 1wyq s SER 6 Ca 0.80 -1.15 0.05 0.00 0.48 0.00 0.00 55.95 56.13 1wyq s SER 6 Cb -0.39 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.01 1wyq s SER 6 CO 0.43 -0.65 0.45 0.61 0.98 0.00 0.00 173.24 175.06 1wyq n GLY 7 N -0.09 1.82 0.85 7.32 0.00 -1.26 -5.08 105.19 108.74 1wyq n GLY 7 Ca -0.08 -2.16 -0.04 0.00 0.00 0.00 0.00 46.02 43.74 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq n ALA 8 N -2.67 2.63 -0.01 4.61 0.00 -1.26 -4.36 120.51 119.45 1wyq n ALA 8 Ca -0.08 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1wyq n ALA 8 Cb 0.33 0.33 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 1wyq n ALA 8 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wyq h LYS 9 N -0.19 0.13 0.08 0.00 3.64 -1.98 -2.39 116.57 115.86 1wyq h LYS 9 Ca -0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1wyq h LYS 9 Cb 0.70 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1wyq h LYS 9 CO -0.05 0.24 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.90 1wyq h ASP 10 N -0.02 -0.10 -0.86 4.20 3.32 -1.94 -1.96 116.42 119.07 1wyq h ASP 10 Ca 0.03 -0.11 0.20 0.00 0.02 0.00 0.00 57.03 57.17 1wyq h ASP 10 Cb 0.17 0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.62 1wyq h ASP 10 CO -0.00 0.05 0.34 0.00 -1.72 0.00 0.00 179.24 177.90 1wyq h ALA 11 N 0.67 1.31 0.66 3.45 0.00 -1.75 -1.71 119.26 121.90 1wyq h ALA 11 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1wyq h ALA 11 Cb 0.20 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wyq h ALA 11 CO 0.02 -0.32 -0.32 1.25 0.00 0.00 0.00 179.25 179.88 1wyq h LEU 12 N 0.38 -0.76 -0.97 0.00 5.85 -1.21 -2.96 115.31 115.64 1wyq h LEU 12 Ca 0.52 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.46 1wyq h LEU 12 Cb 0.95 0.20 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 1wyq h LEU 12 CO -0.52 -0.41 -0.24 -0.11 -0.34 0.00 0.00 178.44 176.82 1wyq n LEU 13 N -5.14 -0.35 -0.07 2.25 7.94 -0.76 0.40 117.00 121.27 1wyq n LEU 13 Ca -0.11 1.67 -0.07 0.00 -1.11 0.00 0.00 56.01 56.38 1wyq n LEU 13 Cb 0.35 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.79 1wyq n LEU 13 CO 0.27 -1.60 0.78 0.25 -1.11 0.00 0.00 177.39 175.98 1wyq h LEU 14 N 0.00 -0.41 -0.11 -1.96 5.85 -1.34 -0.42 115.31 116.93 1wyq h LEU 14 Ca 0.46 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.32 1wyq h LEU 14 Cb 0.71 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1wyq h LEU 14 CO -1.00 -0.15 -0.52 -0.25 -0.34 0.00 0.00 178.44 176.19 1wyq h TRP 15 N -0.07 -1.52 -0.98 1.25 7.01 0.12 0.92 115.95 122.67 1wyq h TRP 15 Ca 0.14 0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.31 1wyq h TRP 15 Cb 0.29 0.68 -0.08 0.00 -2.10 0.00 0.00 29.16 27.95 1wyq h TRP 15 CO -0.31 -0.54 0.62 0.00 -2.79 0.00 0.00 178.44 175.42 1wyq h GLN 17 N 0.99 0.39 0.05 0.00 4.20 0.33 0.22 115.11 121.28 1wyq h GLN 17 Ca 0.48 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.18 1wyq h GLN 17 Cb 0.44 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wyq h GLN 17 CO -0.25 0.26 -0.09 0.52 -0.67 0.00 0.00 178.83 178.59 1wyq h MET 18 N 0.40 -0.17 0.58 1.46 2.86 0.01 0.27 114.93 120.34 1wyq h MET 18 Ca 0.12 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1wyq h MET 18 Cb -0.03 0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1wyq h MET 18 CO -0.04 -0.12 -0.28 0.87 1.06 0.00 0.00 176.91 178.41 1wyq h LYS 19 N -0.18 -0.75 -0.24 1.72 1.79 -1.21 -2.65 116.57 115.06 1wyq h LYS 19 Ca 0.02 0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 1wyq h LYS 19 Cb 0.20 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1wyq h LYS 19 CO -0.06 -0.46 0.21 1.79 -1.08 0.00 0.00 179.45 179.85 1wyq h THR 20 N -0.88 0.64 -0.74 -0.16 1.35 -0.52 -3.02 112.91 109.58 1wyq h THR 20 Ca -0.08 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.86 1wyq h THR 20 Cb 0.63 0.85 -0.09 0.00 -1.73 0.00 0.00 68.15 67.80 1wyq h THR 20 CO 0.13 0.00 -0.42 0.00 -0.25 0.00 0.00 175.52 174.99 1wyq n ALA 21 N -2.46 -0.42 -0.27 6.62 0.00 0.96 0.48 120.51 125.43 1wyq n ALA 21 Ca 0.03 0.65 0.07 0.00 0.00 0.00 0.00 53.44 54.19 1wyq n ALA 21 Cb 0.35 -0.14 0.15 0.00 0.00 0.00 0.00 19.45 19.81 1wyq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyq n GLY 22 N -1.21 -1.19 3.63 0.00 0.00 -1.14 -3.95 105.19 101.32 1wyq n GLY 22 Ca 0.02 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 1wyq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wyq s TYR 23 N -5.86 2.52 0.22 1.61 1.51 0.18 -4.89 117.35 112.64 1wyq s TYR 23 Ca -0.11 0.78 0.24 0.00 -1.01 0.00 0.00 57.07 56.97 1wyq s TYR 23 Cb 0.21 -3.96 1.02 0.00 -0.11 0.00 0.00 41.96 39.12 1wyq s TYR 23 CO 0.59 -2.02 1.88 -1.00 -1.11 0.00 0.00 175.55 173.89 1wyq h PRO 24 N 9.76 0.00 -0.70 -1.71 0.13 -1.82 -2.64 132.00 135.02 1wyq h PRO 24 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wyq h PRO 24 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1wyq h PRO 24 CO 1.03 0.22 0.00 0.09 -0.23 0.00 0.00 178.00 179.11 1wyq n ASN 25 N -3.49 4.08 -4.09 1.44 3.02 -1.26 -4.88 115.26 110.08 1wyq n ASN 25 Ca -0.00 -2.58 -0.16 0.00 -0.03 0.00 0.00 54.58 51.80 1wyq n ASN 25 Cb 0.39 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyq s VAL 26 N -2.12 0.78 -0.30 2.41 1.01 -1.00 -5.07 120.40 116.11 1wyq s VAL 26 Ca 0.36 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wyq s VAL 26 Cb 0.27 -0.76 0.19 0.00 0.00 0.00 0.00 36.38 36.08 1wyq s VAL 26 CO 0.12 -0.17 0.68 0.54 0.00 0.00 0.00 175.10 176.27 1wyq s ASN 27 N -1.26 -1.27 -1.33 3.32 4.22 -1.26 -4.81 114.94 112.55 1wyq s ASN 27 Ca -0.04 0.60 -0.17 0.00 -2.14 0.00 0.00 52.86 51.12 1wyq s ASN 27 Cb -0.08 1.99 0.05 0.00 1.28 0.00 0.00 41.25 44.49 1wyq s ASN 27 CO 0.01 -0.24 1.89 0.52 -2.04 0.00 0.00 177.10 177.25 1wyq n VAL 28 N 5.42 3.65 -0.03 3.54 0.31 -1.26 -4.61 118.33 125.36 1wyq n VAL 28 Ca 0.00 -3.63 -0.09 0.00 -0.01 0.00 0.00 64.34 60.61 1wyq n VAL 28 Cb 0.52 -2.41 -0.14 0.00 -0.91 0.00 0.00 33.84 30.90 1wyq n VAL 28 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1wyq n HIS 29 N 8.03 0.94 -4.48 3.52 -0.00 -1.26 -4.78 115.22 117.19 1wyq n HIS 29 Ca 0.50 0.34 -0.25 0.00 -0.00 0.00 0.00 57.72 58.31 1wyq n HIS 29 Cb 0.44 -1.17 -0.08 0.00 -0.00 0.00 0.00 29.99 29.18 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wyq s ASN 30 N -6.06 2.67 -0.22 0.26 4.22 -1.26 -5.06 114.94 109.49 1wyq s ASN 30 Ca -0.05 -1.75 0.11 0.00 -2.14 0.00 0.00 52.86 49.03 1wyq s ASN 30 Cb 0.08 0.61 0.43 0.00 1.28 0.00 0.00 41.25 43.64 1wyq s ASN 30 CO 0.83 -1.01 1.25 0.49 -2.04 0.00 0.00 177.10 176.61 1wyq n PHE 31 N -0.89 0.13 0.00 1.54 3.72 -1.26 -4.43 117.46 116.26 1wyq n PHE 31 Ca -0.03 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.88 1wyq n PHE 31 Cb 0.64 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1wyq n PHE 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wyq n THR 32 N -1.13 0.00 1.80 4.37 -2.24 -1.26 -3.81 114.28 112.02 1wyq n THR 32 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1wyq n THR 32 Cb 0.73 -0.27 0.32 0.00 -2.10 0.00 0.00 70.33 69.00 1wyq n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wyq n THR 33 N -2.25 0.07 0.01 4.28 -2.24 -1.26 -2.39 114.28 110.49 1wyq n THR 33 Ca 0.00 -0.08 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1wyq n THR 33 Cb 0.00 -0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1wyq n THR 33 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wyq n SER 34 N -0.44 0.54 -0.00 3.42 7.64 -1.26 -4.31 113.62 119.21 1wyq n SER 34 Ca 0.10 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.25 1wyq n SER 34 Cb 0.10 0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wyq n TRP 35 N -2.73 0.00 -0.14 1.43 7.02 -1.20 -4.33 117.44 117.49 1wyq n TRP 35 Ca -0.12 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.32 1wyq n TRP 35 Cb 0.82 -0.05 0.03 0.00 -2.42 0.00 0.00 31.31 29.69 1wyq n TRP 35 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1wyq h ARG 36 N 0.00 -0.04 -0.46 -0.99 2.43 -1.66 -1.29 114.38 112.37 1wyq h ARG 36 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1wyq h ARG 36 Cb 0.22 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1wyq h ARG 36 CO 0.00 -0.03 0.28 -0.44 -1.51 0.00 0.00 179.97 178.27 1wyq h ASP 37 N -0.04 0.46 0.00 -3.80 3.32 -1.83 -3.41 116.42 111.13 1wyq h ASP 37 Ca 0.22 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1wyq h ASP 37 Cb 0.38 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1wyq h ASP 37 CO -0.50 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 177.97 1wyq n GLY 38 N -1.22 2.58 0.30 2.75 0.00 -0.49 -4.23 105.19 104.88 1wyq n GLY 38 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 1wyq n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyq n LEU 39 N 0.00 -0.76 -0.31 0.99 4.77 -1.26 0.13 117.00 120.56 1wyq n LEU 39 Ca 0.00 1.30 -0.04 0.00 -0.03 0.00 0.00 56.01 57.25 1wyq n LEU 39 Cb 0.00 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1wyq n LEU 39 CO 0.00 -1.05 0.42 0.00 -1.33 0.00 0.00 177.39 175.43 1wyq n ALA 40 N -3.42 -0.24 -0.33 -1.18 0.00 -1.26 0.20 120.51 114.29 1wyq n ALA 40 Ca 0.01 0.73 0.02 0.00 0.00 0.00 0.00 53.44 54.20 1wyq n ALA 40 Cb 0.19 -0.26 0.20 0.00 0.00 0.00 0.00 19.45 19.58 1wyq n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyq h PHE 41 N 0.00 1.12 0.00 0.00 0.04 -0.65 0.13 116.94 117.58 1wyq h PHE 41 Ca 0.22 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1wyq h PHE 41 Cb 0.41 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1wyq h PHE 41 CO -0.72 0.63 0.00 0.09 -0.60 0.00 0.00 178.31 177.70 1wyq n ASN 42 N -4.46 0.00 -0.07 2.17 3.02 0.55 -3.02 115.26 113.45 1wyq n ASN 42 Ca 0.13 -0.34 -0.09 0.00 -0.03 0.00 0.00 54.58 54.25 1wyq n ASN 42 Cb 0.14 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 1wyq n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyq n ALA 43 N -1.20 1.50 -0.01 5.41 0.00 0.12 -3.43 120.51 122.90 1wyq n ALA 43 Ca 0.15 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.36 1wyq n ALA 43 Cb 0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 1wyq n ALA 43 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wyq h ILE 44 N 0.00 1.37 0.33 0.00 2.04 -1.30 -3.05 117.51 116.91 1wyq h ILE 44 Ca -0.44 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 1wyq h ILE 44 Cb 2.15 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1wyq h ILE 44 CO 0.05 0.30 -0.16 0.58 0.00 0.00 0.00 178.15 178.92 1wyq h VAL 45 N -0.52 0.00 -1.06 1.67 2.07 -1.77 -3.20 116.25 113.44 1wyq h VAL 45 Ca -0.00 -0.32 0.39 0.00 0.82 0.00 0.00 66.70 67.58 1wyq h VAL 45 Cb 0.51 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.15 1wyq h VAL 45 CO 0.00 0.00 0.65 1.57 0.02 0.00 0.00 177.57 179.82 1wyq n HIS 46 N -4.09 0.70 -0.06 1.57 -0.00 -1.22 0.19 115.22 112.32 1wyq n HIS 46 Ca -0.06 0.71 -0.10 0.00 -0.00 0.00 0.00 57.72 58.27 1wyq n HIS 46 Cb 0.18 -1.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.00 1wyq n HIS 46 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1wyq h LYS 47 N 0.00 0.30 -0.01 1.57 1.63 -1.53 -0.84 116.57 117.68 1wyq h LYS 47 Ca 0.73 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 60.37 1wyq h LYS 47 Cb 2.23 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.81 1wyq h LYS 47 CO -0.47 0.31 -0.46 0.45 -3.45 0.00 0.00 179.45 175.83 1wyq h HIS 48 N 0.21 0.49 -2.78 1.91 3.86 0.21 -3.41 115.15 115.63 1wyq h HIS 48 Ca 0.07 -0.26 -0.60 0.00 -1.16 0.00 0.00 60.37 58.43 1wyq h HIS 48 Cb 0.11 -0.06 -0.40 0.00 1.06 0.00 0.00 27.41 28.12 1wyq h HIS 48 CO -0.03 1.06 -0.79 1.03 0.86 0.00 0.00 177.93 180.06 1wyq s ARG 49 N -3.24 0.91 0.00 2.45 1.81 0.80 -4.96 118.95 116.71 1wyq s ARG 49 Ca -0.14 -1.65 0.12 0.00 -1.72 0.00 0.00 55.73 52.34 1wyq s ARG 49 Cb 0.03 -1.81 0.73 0.00 -0.45 0.00 0.00 34.95 33.45 1wyq s ARG 49 CO 0.79 -1.18 1.16 -0.35 -0.68 0.00 0.00 175.30 175.03 1wyq n PRO 50 N 3.81 0.49 -0.00 3.54 -0.04 -0.33 -2.46 135.00 140.01 1wyq n PRO 50 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1wyq n PRO 50 Cb 0.36 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 1wyq n PRO 50 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wyq h ASP 51 N 0.00 0.17 0.59 3.54 5.19 -1.93 -3.39 116.42 120.59 1wyq h ASP 51 Ca 0.00 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 1wyq h ASP 51 Cb 0.00 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1wyq h ASP 51 CO 0.00 1.32 -0.50 -0.07 -3.12 0.00 0.00 179.24 176.87 1wyq h LEU 52 N 0.03 -1.33 0.00 1.55 3.38 -1.88 -3.45 115.31 113.61 1wyq h LEU 52 Ca -0.32 0.10 -0.64 0.00 0.09 0.00 0.00 57.88 57.10 1wyq h LEU 52 Cb 2.02 0.42 -0.12 0.00 0.09 0.00 0.00 40.66 43.07 1wyq h LEU 52 CO 0.09 -0.69 -0.47 0.00 0.09 0.00 0.00 178.44 177.46 1wyq n LEU 53 N -5.58 0.00 -3.62 1.67 -0.00 -1.26 -5.12 117.00 103.09 1wyq n LEU 53 Ca -0.13 -3.12 -0.28 0.00 -0.00 0.00 0.00 56.01 52.48 1wyq n LEU 53 Cb 0.47 0.37 -0.12 0.00 -0.00 0.00 0.00 43.42 44.15 1wyq n LEU 53 CO 0.29 -0.44 -0.22 -1.81 -0.00 0.00 0.00 177.39 175.21 1wyq s ASP 54 N -3.72 3.05 0.33 1.45 1.11 -1.26 -4.79 116.67 112.84 1wyq s ASP 54 Ca 0.01 -3.08 0.11 0.00 0.18 0.00 0.00 52.55 49.77 1wyq s ASP 54 Cb 0.00 -0.91 1.03 0.00 1.07 0.00 0.00 42.92 44.11 1wyq s ASP 54 CO 0.00 -0.19 1.61 0.15 1.18 0.00 0.00 175.17 177.93 1wyq h PHE 55 N 5.99 0.55 -0.40 4.23 3.57 -1.91 1.47 116.94 130.43 1wyq h PHE 55 Ca 0.14 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1wyq h PHE 55 Cb 0.88 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1wyq h PHE 55 CO 0.45 -0.36 0.09 1.05 -2.23 0.00 0.00 178.31 177.31 1wyq h GLU 56 N 0.11 0.60 -0.16 1.11 4.11 -1.99 -2.86 114.58 115.50 1wyq h GLU 56 Ca 0.71 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 59.94 1wyq h GLU 56 Cb 1.67 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1wyq h GLU 56 CO -0.75 0.56 -0.29 1.03 0.07 0.00 0.00 179.01 179.63 1wyq h SER 57 N 0.59 0.53 -3.61 3.06 0.87 0.16 -3.45 113.55 111.69 1wyq h SER 57 Ca 0.13 -0.54 -0.50 0.00 -1.23 0.00 0.00 61.79 59.66 1wyq h SER 57 Cb 0.24 -0.15 0.21 0.00 -0.44 0.00 0.00 62.40 62.26 1wyq h SER 57 CO -0.00 0.97 -0.16 0.18 -0.53 0.00 0.00 176.83 177.29 1wyq n LEU 58 N -4.39 0.77 -4.03 2.23 4.77 -0.38 -5.04 117.00 110.92 1wyq n LEU 58 Ca -0.06 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1wyq n LEU 58 Cb 0.46 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.12 1wyq n LEU 58 CO 0.43 -2.87 -0.40 -0.75 -1.33 0.00 0.00 177.39 172.47 1wyq s LYS 59 N -4.23 0.47 0.25 3.23 2.20 -1.26 -4.98 119.74 115.42 1wyq s LYS 59 Ca 0.64 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1wyq s LYS 59 Cb -0.22 -0.26 0.37 0.00 -1.51 0.00 0.00 37.83 36.21 1wyq s LYS 59 CO 0.63 0.05 1.85 -0.22 -0.36 0.00 0.00 175.35 177.30 1wyq h LYS 60 N 4.86 0.94 -0.08 4.03 1.63 -1.97 -2.92 116.57 123.07 1wyq h LYS 60 Ca -0.33 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.43 1wyq h LYS 60 Cb 1.20 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.57 1wyq h LYS 60 CO 0.43 0.62 -0.40 0.00 -3.45 0.00 0.00 179.45 176.65 1wyq s ASN 62 N -4.24 4.69 -0.22 0.00 -0.87 -1.10 -4.77 114.94 108.42 1wyq s ASN 62 Ca -0.12 0.65 -0.20 0.00 -1.57 0.00 0.00 52.86 51.63 1wyq s ASN 62 Cb 0.05 -2.52 -0.17 0.00 -0.02 0.00 0.00 41.25 38.59 1wyq s ASN 62 CO 0.45 -2.81 0.10 0.00 -2.57 0.00 0.00 177.10 172.28 1wyq n ALA 63 N 15.07 0.83 0.18 0.60 0.00 -1.26 -3.46 120.51 132.47 1wyq n ALA 63 Ca 0.33 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 1wyq n ALA 63 Cb 0.53 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1wyq n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyq h HIS 64 N -1.00 -0.39 -0.89 0.00 -0.00 -1.85 -1.10 115.15 109.93 1wyq h HIS 64 Ca -0.38 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.05 1wyq h HIS 64 Cb 1.31 0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 28.79 1wyq h HIS 64 CO 0.05 -0.14 0.58 -0.92 -0.00 0.00 0.00 177.93 177.49 1wyq h TYR 65 N -0.58 1.00 -0.04 5.26 5.03 -1.93 -0.40 116.97 125.32 1wyq h TYR 65 Ca -0.04 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.20 1wyq h TYR 65 Cb 0.42 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1wyq h TYR 65 CO -0.02 0.51 -0.40 -0.91 -1.32 0.00 0.00 178.16 176.02 1wyq h ASN 66 N 0.97 0.09 0.00 -2.11 4.21 -1.55 -2.83 115.58 114.36 1wyq h ASN 66 Ca 0.39 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.86 1wyq h ASN 66 Cb 0.25 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1wyq h ASN 66 CO -0.15 0.49 0.00 0.18 -1.29 0.00 0.00 177.43 176.66 1wyq n LEU 67 N -4.05 0.37 -0.49 1.61 4.77 -0.24 -3.14 117.00 115.82 1wyq n LEU 67 Ca -0.02 0.59 0.41 0.00 -0.03 0.00 0.00 56.01 56.96 1wyq n LEU 67 Cb 0.45 -0.40 0.69 0.00 -2.33 0.00 0.00 43.42 41.82 1wyq n LEU 67 CO 0.40 -0.40 1.24 0.00 -1.33 0.00 0.00 177.39 177.30 1wyq n GLN 68 N -1.71 -0.03 -0.08 3.23 -0.00 -0.69 0.13 117.38 118.22 1wyq n GLN 68 Ca 0.00 1.23 -0.09 0.00 -0.00 0.00 0.00 57.00 58.14 1wyq n GLN 68 Cb 0.00 -2.47 -0.02 0.00 -0.00 0.00 0.00 30.24 27.76 1wyq n GLN 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1wyq h ASN 69 N 0.00 0.31 0.01 2.61 -1.24 -1.57 0.82 115.58 116.52 1wyq h ASN 69 Ca 0.88 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.89 1wyq h ASN 69 Cb 2.92 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 41.90 1wyq h ASN 69 CO -0.42 0.23 -0.00 0.00 -1.29 0.00 0.00 177.43 175.94 1wyq h ALA 70 N 1.12 -0.01 -0.18 1.57 0.00 0.11 -0.17 119.26 121.70 1wyq h ALA 70 Ca 0.11 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1wyq h ALA 70 Cb -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1wyq h ALA 70 CO -0.04 -0.26 -0.16 0.74 0.00 0.00 0.00 179.25 179.53 1wyq h PHE 71 N -0.50 -0.40 -0.18 0.00 0.04 -1.22 0.13 116.94 114.81 1wyq h PHE 71 Ca -0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1wyq h PHE 71 Cb 0.49 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1wyq h PHE 71 CO 0.10 -0.23 0.04 -0.91 -0.60 0.00 0.00 178.31 176.71 1wyq h ASN 72 N -0.18 0.27 -0.34 2.17 2.35 -0.89 0.40 115.58 119.36 1wyq h ASN 72 Ca 0.11 -0.24 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1wyq h ASN 72 Cb 0.34 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 1wyq h ASN 72 CO -0.28 0.44 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.80 1wyq h LEU 73 N 0.10 -0.28 -0.62 1.61 3.38 -0.64 0.46 115.31 119.32 1wyq h LEU 73 Ca 0.06 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1wyq h LEU 73 Cb 0.28 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1wyq h LEU 73 CO 0.00 -0.10 -0.63 0.00 0.09 0.00 0.00 178.44 177.81 1wyq h ALA 74 N 1.33 0.85 0.00 1.53 0.00 -0.68 0.30 119.26 122.59 1wyq h ALA 74 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wyq h ALA 74 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wyq h ALA 74 CO -0.33 0.78 -0.07 1.49 0.00 0.00 0.00 179.25 181.12 1wyq h GLU 75 N 0.00 0.00 0.00 0.00 4.22 0.91 -0.36 114.58 119.35 1wyq h GLU 75 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 1wyq h GLU 75 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wyq h GLU 75 CO 0.08 0.07 -0.92 1.17 -2.18 0.00 0.00 179.01 177.23 1wyq n LYS 76 N -3.15 0.45 0.00 1.92 3.00 0.15 -3.66 118.16 116.87 1wyq n LYS 76 Ca 0.02 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1wyq n LYS 76 Cb 0.45 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1wyq n LYS 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wyq n GLU 77 N -4.30 0.00 -0.24 1.64 -0.58 0.10 -3.51 120.64 113.75 1wyq n GLU 77 Ca -0.14 0.47 -0.05 0.00 -0.42 0.00 0.00 57.16 57.02 1wyq n GLU 77 Cb 0.46 -1.45 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 1wyq n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyq h LEU 78 N 0.00 0.79 -0.15 -4.62 3.38 -1.62 -3.47 115.31 109.61 1wyq h LEU 78 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wyq h LEU 78 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1wyq h LEU 78 CO 0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1wyq n GLY 79 N -1.23 0.99 3.90 0.83 0.00 -0.19 -5.02 105.19 104.47 1wyq n GLY 79 Ca 0.06 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1wyq n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyq s LEU 80 N -0.15 4.36 -0.26 0.99 1.43 -0.91 -4.97 118.68 119.18 1wyq s LEU 80 Ca 0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1wyq s LEU 80 Cb 0.00 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1wyq s LEU 80 CO 0.00 0.23 1.07 -0.89 0.23 0.00 0.00 176.35 176.99 1wyq s THR 81 N -1.38 4.59 -0.55 5.49 2.01 -1.26 -4.13 115.64 120.41 1wyq s THR 81 Ca 0.30 1.89 -0.28 0.00 0.31 0.00 0.00 61.69 63.90 1wyq s THR 81 Cb -0.13 -4.33 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 1wyq s THR 81 CO 0.20 -0.29 2.43 0.29 -0.69 0.00 0.00 174.62 176.56 1wyq n LYS 82 N 6.55 0.92 0.04 4.92 5.02 -1.26 -4.77 118.16 129.58 1wyq n LYS 82 Ca 0.12 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 1wyq n LYS 82 Cb 0.46 -2.91 -0.14 0.00 -0.02 0.00 0.00 35.03 32.42 1wyq n LYS 82 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wyq h LEU 83 N 16.76 0.37 0.00 -0.35 3.38 -1.98 -3.47 115.31 130.02 1wyq h LEU 83 Ca -0.22 -0.62 -0.32 0.00 0.09 0.00 0.00 57.88 56.81 1wyq h LEU 83 Cb 1.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1wyq h LEU 83 CO 1.17 1.53 -0.10 0.18 0.09 0.00 0.00 178.44 181.31 1wyq n LEU 84 N -3.42 0.00 -3.96 1.67 4.77 -1.26 -5.08 117.00 109.72 1wyq n LEU 84 Ca -0.21 -1.62 -0.11 0.00 -0.03 0.00 0.00 56.01 54.03 1wyq n LEU 84 Cb 1.05 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.87 1wyq n LEU 84 CO 0.48 -0.55 -0.37 -1.81 -1.33 0.00 0.00 177.39 173.81 1wyq s ASP 85 N -3.08 0.30 0.00 -1.43 1.11 -1.26 -5.02 116.67 107.29 1wyq s ASP 85 Ca 0.29 -0.32 0.15 0.00 0.18 0.00 0.00 52.55 52.85 1wyq s ASP 85 Cb -0.02 0.04 0.88 0.00 1.07 0.00 0.00 42.92 44.89 1wyq s ASP 85 CO 0.18 -0.16 1.36 -0.81 1.18 0.00 0.00 175.17 176.92 1wyq n PRO 86 N 2.14 0.41 -0.00 8.23 -0.04 -1.26 -1.56 135.00 142.91 1wyq n PRO 86 Ca -0.19 0.04 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1wyq n PRO 86 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1wyq n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wyq n GLU 87 N -1.08 0.91 0.01 0.54 0.28 -1.26 -4.15 120.64 115.88 1wyq n GLU 87 Ca 0.10 -0.02 -0.05 0.00 -0.16 0.00 0.00 57.16 57.03 1wyq n GLU 87 Cb 0.07 -1.07 -0.11 0.00 1.43 0.00 0.00 31.44 31.76 1wyq n GLU 87 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1wyq h ASP 88 N 0.00 0.00 0.08 -1.84 3.58 -1.88 -3.38 116.42 112.98 1wyq h ASP 88 Ca -0.02 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.16 1wyq h ASP 88 Cb 0.38 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1wyq h ASP 88 CO 0.00 0.85 -1.46 0.58 -2.88 0.00 0.00 179.24 176.33 1wyq h VAL 89 N 0.00 0.93 -0.15 2.25 2.07 -1.55 -3.42 116.25 116.37 1wyq h VAL 89 Ca -0.21 -2.32 -0.18 0.00 0.82 0.00 0.00 66.70 64.81 1wyq h VAL 89 Cb 1.84 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 34.16 1wyq h VAL 89 CO 0.07 0.63 0.51 -3.20 0.02 0.00 0.00 177.57 175.61 1wyq n ASN 90 N -3.99 1.71 -4.07 0.57 2.85 -1.26 -4.52 115.26 106.54 1wyq n ASN 90 Ca -0.28 -2.54 -0.10 0.00 -0.11 0.00 0.00 54.58 51.55 1wyq n ASN 90 Cb 0.86 -1.55 -0.09 0.00 1.24 0.00 0.00 39.78 40.24 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wyq s VAL 91 N 14.22 0.07 0.14 3.44 0.11 -1.26 -4.91 120.40 132.21 1wyq s VAL 91 Ca 0.76 -1.68 -0.26 0.00 -2.93 0.00 0.00 61.98 57.87 1wyq s VAL 91 Cb -0.01 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1wyq s VAL 91 CO 0.20 -0.33 1.60 0.44 -3.33 0.00 0.00 175.10 173.68 1wyq h ASP 92 N 2.68 -1.13 -2.76 3.54 3.32 -1.98 -3.35 116.42 116.74 1wyq h ASP 92 Ca -0.33 0.17 -0.60 0.00 0.02 0.00 0.00 57.03 56.29 1wyq h ASP 92 Cb 1.22 0.49 -0.39 0.00 0.22 0.00 0.00 39.33 40.86 1wyq h ASP 92 CO 0.53 -0.37 -0.84 0.00 -1.72 0.00 0.00 179.24 176.84 1wyq s GLN 93 N -5.96 1.12 1.05 3.56 1.03 -1.26 -4.77 119.66 114.43 1wyq s GLN 93 Ca -0.15 -2.08 -0.14 0.00 0.04 0.00 0.00 55.36 53.03 1wyq s GLN 93 Cb 0.11 -1.87 0.21 0.00 0.03 0.00 0.00 33.01 31.49 1wyq s GLN 93 CO 0.66 -1.28 1.10 -1.25 -2.54 0.00 0.00 175.29 171.97 1wyq s PRO 94 N 0.14 0.05 -0.59 9.60 0.04 -1.26 -4.96 135.00 138.02 1wyq s PRO 94 Ca 0.25 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 1wyq s PRO 94 Cb -0.10 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.79 1wyq s PRO 94 CO -0.10 -2.96 0.99 -0.51 0.04 0.00 0.00 177.00 174.46 1wyq s ASP 95 N -3.53 6.30 0.48 6.66 1.01 -1.26 -4.83 116.67 121.49 1wyq s ASP 95 Ca 0.66 -0.46 0.17 0.00 0.71 0.00 0.00 52.55 53.63 1wyq s ASP 95 Cb -0.17 -2.45 1.17 0.00 1.01 0.00 0.00 42.92 42.48 1wyq s ASP 95 CO 0.57 -1.34 2.02 1.05 0.21 0.00 0.00 175.17 177.68 1wyq h GLU 96 N 9.44 0.22 -0.07 8.23 4.11 -1.94 0.40 114.58 134.97 1wyq h GLU 96 Ca -0.27 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.06 1wyq h GLU 96 Cb 1.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1wyq h GLU 96 CO 1.13 0.15 -0.35 0.87 0.07 0.00 0.00 179.01 180.88 1wyq h LYS 97 N 0.23 0.14 0.00 1.06 1.79 -1.90 0.21 116.57 118.09 1wyq h LYS 97 Ca 0.21 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1wyq h LYS 97 Cb 0.55 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1wyq h LYS 97 CO -0.04 0.47 -0.02 0.43 -1.08 0.00 0.00 179.45 179.22 1wyq n SER 98 N -4.09 0.81 -0.13 0.86 7.64 0.09 -3.49 113.62 115.31 1wyq n SER 98 Ca -0.01 0.56 -0.26 0.00 1.01 0.00 0.00 58.87 60.17 1wyq n SER 98 Cb 0.41 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1wyq n ILE 99 N -2.25 1.54 -0.26 0.44 5.41 -0.86 -4.05 119.36 119.32 1wyq n ILE 99 Ca 0.06 -0.37 0.23 0.00 1.00 0.00 0.00 62.75 63.67 1wyq n ILE 99 Cb 0.43 -1.83 0.57 0.00 -0.71 0.00 0.00 39.64 38.10 1wyq n ILE 99 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1wyq h ILE 100 N -0.79 0.59 -0.24 1.39 2.04 -0.73 0.97 117.51 120.74 1wyq h ILE 100 Ca -0.61 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1wyq h ILE 100 Cb 1.63 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1wyq h ILE 100 CO -0.31 0.06 -0.29 0.74 0.00 0.00 0.00 178.15 178.34 1wyq h THR 101 N 0.30 1.32 0.45 -0.27 2.02 -1.76 -2.23 112.91 112.75 1wyq h THR 101 Ca 0.51 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1wyq h THR 101 Cb 1.46 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1wyq h THR 101 CO -0.17 0.46 -0.22 0.22 0.37 0.00 0.00 175.52 176.18 1wyq h TYR 102 N 0.33 -0.57 -0.98 3.16 3.20 -1.04 -3.13 116.97 117.94 1wyq h TYR 102 Ca 0.03 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.17 1wyq h TYR 102 Cb 0.86 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 1wyq h TYR 102 CO 0.08 -0.35 0.71 -0.24 -1.64 0.00 0.00 178.16 176.71 1wyq h VAL 103 N -0.88 0.51 -0.98 1.81 3.04 -1.16 0.93 116.25 119.53 1wyq h VAL 103 Ca -0.06 -0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.83 1wyq h VAL 103 Cb 0.47 0.50 -0.09 0.00 -2.01 0.00 0.00 31.29 30.15 1wyq h VAL 103 CO 0.10 0.00 0.62 0.00 -1.01 0.00 0.00 177.57 177.28 1wyq h ALA 104 N 1.51 1.91 -0.70 3.17 0.00 -1.34 0.11 119.26 123.93 1wyq h ALA 104 Ca 0.47 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1wyq h ALA 104 Cb 1.86 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1wyq h ALA 104 CO -0.01 -0.26 0.31 1.79 0.00 0.00 0.00 179.25 181.07 1wyq h THR 105 N 0.61 1.23 -0.62 0.00 1.35 -0.90 -1.79 112.91 112.79 1wyq h THR 105 Ca 0.55 -0.69 0.06 0.00 -0.55 0.00 0.00 66.41 65.78 1wyq h THR 105 Cb 1.06 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 1wyq h THR 105 CO -0.30 0.28 0.41 1.88 -0.25 0.00 0.00 175.52 177.54 1wyq h TYR 106 N 1.00 0.60 0.05 4.73 -1.99 -0.89 0.24 116.97 120.71 1wyq h TYR 106 Ca 0.24 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1wyq h TYR 106 Cb 0.15 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1wyq h TYR 106 CO 0.01 0.32 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.55 1wyq h TYR 107 N 0.60 -0.06 0.75 4.88 3.20 -1.32 -3.20 116.97 121.82 1wyq h TYR 107 Ca 0.27 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1wyq h TYR 107 Cb 0.28 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1wyq h TYR 107 CO -0.00 0.49 -0.49 0.45 -1.64 0.00 0.00 178.16 176.97 1wyq h HIS 108 N -0.95 -1.31 -0.49 -3.82 3.86 -1.15 0.12 115.15 111.41 1wyq h HIS 108 Ca -0.01 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1wyq h HIS 108 Cb 0.57 0.47 -0.06 0.00 1.06 0.00 0.00 27.41 29.45 1wyq h HIS 108 CO 0.14 -0.72 -0.30 -0.92 0.86 0.00 0.00 177.93 176.99 1wyq h TYR 109 N -1.17 -0.95 -0.92 2.45 5.03 -0.70 0.32 116.97 121.03 1wyq h TYR 109 Ca -0.10 0.06 0.09 0.00 2.58 0.00 0.00 58.73 61.36 1wyq h TYR 109 Cb 0.95 0.48 -0.07 0.00 1.55 0.00 0.00 36.73 39.64 1wyq h TYR 109 CO -0.12 -0.19 0.59 0.74 -1.32 0.00 0.00 178.16 177.87 1wyq h PHE 110 N -0.01 1.03 -0.91 -3.82 0.04 -1.54 -2.22 116.94 109.51 1wyq h PHE 110 Ca 0.08 0.03 0.24 0.00 2.80 0.00 0.00 57.97 61.12 1wyq h PHE 110 Cb 0.21 -0.33 -0.16 0.00 2.20 0.00 0.00 35.95 37.87 1wyq h PHE 110 CO -0.97 0.49 0.07 1.03 -0.60 0.00 0.00 178.31 178.33 1wyq h SER 111 N 0.97 -0.34 -0.84 2.17 0.87 0.24 0.26 113.55 116.89 1wyq h SER 111 Ca 0.42 0.24 0.33 0.00 -1.23 0.00 0.00 61.79 61.55 1wyq h SER 111 Cb 0.33 0.40 -0.15 0.00 -0.44 0.00 0.00 62.40 62.54 1wyq h SER 111 CO -0.18 -0.27 0.37 0.29 -0.53 0.00 0.00 176.83 176.52 1wyq n LYS 112 N -5.40 -0.05 -1.94 2.24 4.76 -0.83 -4.35 118.16 112.58 1wyq n LYS 112 Ca 0.21 1.18 -0.39 0.00 -2.87 0.00 0.00 58.31 56.43 1wyq n LYS 112 Cb 0.68 -2.07 0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1wyq n LYS 112 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1wyq s MET 113 N -5.37 3.79 -0.62 1.97 -1.94 0.92 -4.78 119.30 113.27 1wyq s MET 113 Ca -0.08 2.25 -0.39 0.00 -1.71 0.00 0.00 55.69 55.75 1wyq s MET 113 Cb 0.28 -2.66 -0.19 0.00 2.01 0.00 0.00 34.83 34.27 1wyq s MET 113 CO 0.65 -0.67 2.30 1.63 -0.01 0.00 0.00 175.02 178.92 1wyq n LYS 114 N -0.11 0.13 -3.69 2.03 4.76 -1.26 -4.90 118.16 115.11 1wyq n LYS 114 Ca 0.05 0.03 -0.24 0.00 -2.87 0.00 0.00 58.31 55.28 1wyq n LYS 114 Cb 0.43 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wyq s ALA 115 N 7.08 4.41 0.10 7.82 0.00 -1.26 -5.13 121.76 134.77 1wyq s ALA 115 Ca 1.23 -1.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 1wyq s ALA 115 Cb -1.34 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 20.97 1wyq s ALA 115 CO 0.59 -0.48 1.12 -0.48 0.00 0.00 0.00 175.76 176.51 1wyq s LEU 116 N -4.32 -0.05 -0.96 0.00 0.05 -1.26 -4.97 118.68 107.17 1wyq s LEU 116 Ca 0.41 -0.41 -0.10 0.00 0.05 0.00 0.00 54.13 54.08 1wyq s LEU 116 Cb -0.03 1.81 0.09 0.00 -2.05 0.00 0.00 46.19 46.02 1wyq s LEU 116 CO 0.25 -0.69 0.31 0.00 -0.55 0.00 0.00 176.35 175.67 1wyq n ALA 117 N -0.63 -1.07 -1.81 1.48 0.00 -1.26 -4.87 120.51 112.34 1wyq n ALA 117 Ca -0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1wyq n ALA 117 Cb 0.60 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1wyq n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wyq s VAL 118 N -2.65 4.19 0.05 0.00 0.11 -1.26 -5.06 120.40 115.78 1wyq s VAL 118 Ca 0.36 1.89 -0.27 0.00 -2.93 0.00 0.00 61.98 61.04 1wyq s VAL 118 Cb -0.21 -4.16 0.07 0.00 -1.53 0.00 0.00 36.38 30.55 1wyq s VAL 118 CO 0.45 0.35 0.64 -0.70 -3.33 0.00 0.00 175.10 172.51 1wyq s GLU 119 N -1.55 1.17 0.00 1.54 2.56 -1.26 -5.16 118.70 115.99 1wyq s GLU 119 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.31 1wyq s GLU 119 Cb -0.22 0.54 0.00 0.00 2.00 0.00 0.00 34.13 36.45 1wyq s GLU 119 CO 0.28 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 1wyq n GLY 120 N 0.28 1.17 3.21 -1.50 0.00 -1.26 -4.96 105.19 102.13 1wyq n GLY 120 Ca -0.18 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 1wyq n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wyq s LYS 121 N 1.33 0.85 0.14 1.61 2.20 -1.26 -4.68 119.74 119.93 1wyq s LYS 121 Ca 0.00 -0.99 -0.33 0.00 -0.36 0.00 0.00 55.97 54.29 1wyq s LYS 121 Cb 0.00 0.34 -0.17 0.00 -1.51 0.00 0.00 37.83 36.48 1wyq s LYS 121 CO 0.00 -0.27 0.93 0.45 -0.36 0.00 0.00 175.35 176.10 1wyq n SER 122 N -0.06 0.14 -3.22 1.43 2.88 -1.26 -4.57 113.62 108.96 1wyq n SER 122 Ca -0.14 1.15 -0.18 0.00 -1.33 0.00 0.00 58.87 58.36 1wyq n SER 122 Cb 0.62 -1.05 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 1wyq n SER 122 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyq s GLY 123 N -0.34 0.22 0.48 0.46 0.00 -1.26 -4.95 107.32 101.94 1wyq s GLY 123 Ca 0.75 -1.52 0.27 0.00 0.00 0.00 0.00 44.72 44.22 1wyq s GLY 123 CO 0.55 2.69 1.91 -0.56 0.00 0.00 0.00 173.10 177.69 1wyq h PRO 124 N 5.88 0.00 -5.81 2.90 0.13 -2.01 -3.44 132.00 129.65 1wyq h PRO 124 Ca 0.15 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.79 1wyq h PRO 124 Cb 1.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.93 1wyq h PRO 124 CO 0.23 0.16 -0.79 -1.12 -0.23 0.00 0.00 178.00 176.25 1wyq s SER 125 N -6.07 2.33 0.27 1.44 0.01 -1.26 -5.04 113.70 105.38 1wyq s SER 125 Ca -0.00 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 1wyq s SER 125 Cb 0.11 -0.11 0.58 0.00 0.21 0.00 0.00 66.02 66.80 1wyq s SER 125 CO 0.60 -0.03 1.68 -1.28 0.41 0.00 0.00 173.24 174.62 1wyq h SER 126 N 3.75 0.10 0.00 2.44 0.87 -2.00 -3.49 113.55 115.22 1wyq h SER 126 Ca -0.43 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1wyq h SER 126 Cb 1.19 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1wyq h SER 126 CO 0.45 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.32