#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq s SER 2 N 0.00 -1.20 -0.13 1.61 0.01 -1.26 -5.14 113.70 107.60 1wyq s SER 2 Ca 0.00 1.12 -0.29 0.00 1.31 0.00 0.00 55.95 58.09 1wyq s SER 2 Cb 0.00 2.16 -0.02 0.00 0.21 0.00 0.00 66.02 68.37 1wyq s SER 2 CO 0.00 -0.23 1.20 -0.55 0.41 0.00 0.00 173.24 174.08 1wyq s SER 3 N 2.86 7.01 0.00 2.44 0.15 -1.26 -4.82 113.70 120.09 1wyq s SER 3 Ca 0.08 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1wyq s SER 3 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wyq s SER 3 CO -0.20 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.19 1wyq n GLY 4 N 3.46 -0.47 3.02 9.45 0.00 -1.26 -5.16 105.19 114.24 1wyq n GLY 4 Ca 0.12 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1wyq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyq s SER 5 N -4.00 0.07 -0.48 1.61 0.01 -1.26 -5.12 113.70 104.52 1wyq s SER 5 Ca 0.00 -0.21 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1wyq s SER 5 Cb 0.00 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1wyq s SER 5 CO 0.00 -0.25 0.62 -0.55 0.41 0.00 0.00 173.24 173.47 1wyq s SER 6 N -1.02 6.25 0.00 2.44 0.15 -1.26 -4.24 113.70 116.02 1wyq s SER 6 Ca -0.11 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1wyq s SER 6 Cb -0.07 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1wyq s SER 6 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1wyq n GLY 7 N 5.13 0.57 2.77 9.45 0.00 -1.26 -5.12 105.19 116.73 1wyq n GLY 7 Ca -0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.28 0.59 -1.96 4.61 0.00 -1.26 -5.04 120.51 117.17 1wyq n ALA 8 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 53.44 51.70 1wyq n ALA 8 Cb 0.11 0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.93 1wyq n ALA 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wyq n LYS 9 N -2.06 3.27 -0.11 0.00 0.00 -1.26 -4.68 118.16 113.32 1wyq n LYS 9 Ca 0.12 -3.98 -0.23 0.00 -0.00 0.00 0.00 58.31 54.21 1wyq n LYS 9 Cb 0.42 -2.27 -0.11 0.00 -0.00 0.00 0.00 35.03 33.07 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wyq n ASP 10 N -0.68 1.89 -0.21 -5.58 8.00 -1.26 -3.65 116.55 115.05 1wyq n ASP 10 Ca 0.48 0.40 -0.01 0.00 0.71 0.00 0.00 54.79 56.36 1wyq n ASP 10 Cb 0.75 -0.93 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wyq h ALA 11 N -0.58 0.35 0.97 2.24 0.00 -2.01 -1.24 119.26 119.00 1wyq h ALA 11 Ca -0.43 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1wyq h ALA 11 Cb 1.39 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.71 1wyq h ALA 11 CO -0.25 -0.46 -0.47 1.25 0.00 0.00 0.00 179.25 179.32 1wyq h LEU 12 N -0.03 -1.11 -0.99 0.00 5.85 -1.91 -2.57 115.31 114.56 1wyq h LEU 12 Ca 0.29 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.24 1wyq h LEU 12 Cb 0.48 0.29 -0.19 0.00 0.37 0.00 0.00 40.66 41.61 1wyq h LEU 12 CO -0.65 -0.77 -0.26 -0.11 -0.34 0.00 0.00 178.44 176.30 1wyq n LEU 13 N -5.62 -0.39 -0.28 2.25 7.94 -0.91 0.12 117.00 120.10 1wyq n LEU 13 Ca -0.16 1.71 0.00 0.00 -1.11 0.00 0.00 56.01 56.45 1wyq n LEU 13 Cb 0.52 -0.50 0.13 0.00 0.53 0.00 0.00 43.42 44.09 1wyq n LEU 13 CO 0.39 -1.63 1.15 0.25 -1.11 0.00 0.00 177.39 176.45 1wyq h LEU 14 N 0.00 0.73 0.35 -1.96 5.85 -1.13 -0.84 115.31 118.31 1wyq h LEU 14 Ca 0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wyq h LEU 14 Cb 0.71 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1wyq h LEU 14 CO -1.02 0.46 -0.52 -0.25 -0.34 0.00 0.00 178.44 176.78 1wyq h TRP 15 N 0.86 -1.46 -0.37 1.25 7.01 0.13 0.98 115.95 124.35 1wyq h TRP 15 Ca 0.35 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.41 1wyq h TRP 15 Cb 0.20 0.59 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1wyq h TRP 15 CO -0.05 -0.65 0.25 0.00 -2.79 0.00 0.00 178.44 175.20 1wyq h GLN 17 N 0.36 0.42 -0.24 0.00 4.20 -0.25 0.25 115.11 119.85 1wyq h GLN 17 Ca 0.15 -0.16 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1wyq h GLN 17 Cb 0.17 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1wyq h GLN 17 CO -0.03 0.65 -0.56 0.52 -0.67 0.00 0.00 178.83 178.73 1wyq h MET 18 N 0.37 0.75 0.03 1.46 2.86 0.49 -2.03 114.93 118.85 1wyq h MET 18 Ca 0.05 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1wyq h MET 18 Cb 0.66 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1wyq h MET 18 CO 0.05 1.10 -0.02 0.87 1.06 0.00 0.00 176.91 179.98 1wyq h LYS 19 N 0.57 -0.04 -0.00 1.72 1.79 -1.25 -3.31 116.57 116.05 1wyq h LYS 19 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1wyq h LYS 19 Cb 1.15 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1wyq h LYS 19 CO 0.12 -0.03 0.30 1.79 -1.08 0.00 0.00 179.45 180.55 1wyq h THR 20 N -0.79 0.00 -0.60 -0.16 1.35 -0.65 -3.01 112.91 109.05 1wyq h THR 20 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1wyq h THR 20 Cb 0.03 0.71 -0.07 0.00 -1.73 0.00 0.00 68.15 67.09 1wyq h THR 20 CO 0.01 0.00 -0.35 0.00 -0.25 0.00 0.00 175.52 174.92 1wyq n ALA 21 N -1.91 -0.38 -0.29 6.62 0.00 -0.76 -0.24 120.51 123.55 1wyq n ALA 21 Ca -0.02 0.51 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1wyq n ALA 21 Cb 0.35 0.09 0.16 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.15 -1.25 3.63 0.00 0.00 -1.14 -4.09 105.19 101.18 1wyq n GLY 22 Ca 0.01 0.83 -0.43 0.00 0.00 0.00 0.00 46.02 46.44 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 -5.91 1.73 0.23 1.61 2.02 0.67 -4.88 117.35 112.83 1wyq s TYR 23 Ca -0.11 0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.96 1wyq s TYR 23 Cb 0.23 -4.03 0.24 0.00 -0.40 0.00 0.00 41.96 37.99 1wyq s TYR 23 CO 0.63 -3.64 1.60 -1.00 -1.57 0.00 0.00 175.55 171.57 1wyq h PRO 24 N 11.85 0.50 -0.89 -1.71 0.13 -1.82 -2.87 132.00 137.19 1wyq h PRO 24 Ca -0.38 -0.26 -0.06 0.00 -0.87 0.00 0.00 66.00 64.43 1wyq h PRO 24 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1wyq h PRO 24 CO 0.99 0.84 0.08 0.09 -0.23 0.00 0.00 178.00 179.76 1wyq n ASN 25 N -4.01 2.98 -3.69 1.44 3.02 -1.26 -4.73 115.26 109.00 1wyq n ASN 25 Ca -0.02 -2.44 -0.23 0.00 -0.03 0.00 0.00 54.58 51.87 1wyq n ASN 25 Cb 0.53 -0.59 -0.18 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.57 0.09 -0.27 2.41 1.01 -1.08 -5.02 120.40 115.98 1wyq s VAL 26 Ca 0.21 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1wyq s VAL 26 Cb 0.17 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 36.21 1wyq s VAL 26 CO 0.06 0.09 0.03 0.20 0.00 0.00 0.00 175.10 175.48 1wyq s ASN 27 N 2.08 3.87 -1.26 3.32 0.01 -1.26 -4.70 114.94 117.00 1wyq s ASN 27 Ca 0.04 -1.41 -0.16 0.00 -0.71 0.00 0.00 52.86 50.62 1wyq s ASN 27 Cb -0.13 -1.01 0.12 0.00 0.41 0.00 0.00 41.25 40.63 1wyq s ASN 27 CO -0.05 -0.33 1.60 -0.69 -1.51 0.00 0.00 177.10 176.11 1wyq s VAL 28 N 1.50 4.54 -0.20 1.60 1.01 -1.26 -4.63 120.40 122.96 1wyq s VAL 28 Ca 0.03 -2.25 0.14 0.00 0.00 0.00 0.00 61.98 59.90 1wyq s VAL 28 Cb -0.18 -5.07 -0.23 0.00 0.00 0.00 0.00 36.38 30.90 1wyq s VAL 28 CO -0.14 -1.84 0.05 1.57 0.00 0.00 0.00 175.10 174.74 1wyq n HIS 29 N 7.12 0.10 -4.56 5.22 -0.00 -1.26 -4.73 115.22 117.10 1wyq n HIS 29 Ca 0.43 0.03 -0.25 0.00 -0.00 0.00 0.00 57.72 57.93 1wyq n HIS 29 Cb 0.45 -1.02 -0.06 0.00 -0.00 0.00 0.00 29.99 29.36 1wyq n HIS 29 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1wyq n ASN 30 N -2.90 2.48 -0.44 0.26 6.94 -1.26 -5.06 115.26 115.27 1wyq n ASN 30 Ca -0.35 -2.86 0.07 0.00 -0.02 0.00 0.00 54.58 51.42 1wyq n ASN 30 Cb 1.11 0.50 0.15 0.00 -2.36 0.00 0.00 39.78 39.19 1wyq n ASN 30 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1wyq n PHE 31 N -0.96 0.00 0.00 -2.53 3.72 -1.26 -4.52 117.46 111.90 1wyq n PHE 31 Ca -0.13 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.15 1wyq n PHE 31 Cb 0.53 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.06 0.00 1.67 4.37 -2.24 -1.26 -3.88 114.28 111.88 1wyq n THR 32 Ca 0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 1wyq n THR 32 Cb 0.70 -0.38 0.62 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.50 0.00 0.14 4.28 -2.24 -1.26 -2.67 114.28 110.02 1wyq n THR 33 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1wyq n THR 33 Cb 0.00 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.89 0.52 -0.23 3.42 7.64 -1.26 -4.19 113.62 118.63 1wyq n SER 34 Ca 0.16 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.24 1wyq n SER 34 Cb 0.07 1.04 0.12 0.00 -1.01 0.00 0.00 64.21 64.44 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 -2.42 0.00 0.05 1.43 7.02 -1.09 -4.33 117.44 118.10 1wyq n TRP 35 Ca -0.01 -0.87 -0.20 0.00 -1.02 0.00 0.00 57.50 55.40 1wyq n TRP 35 Cb 0.54 -0.14 -0.13 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.12 0.41 0.35 -0.99 2.43 -1.69 -3.38 114.38 111.62 1wyq h ARG 36 Ca -0.01 -0.58 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1wyq h ARG 36 Cb 1.09 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1wyq h ARG 36 CO 0.00 1.24 -0.17 0.38 -1.51 0.00 0.00 179.97 179.92 1wyq h ASP 37 N -0.13 -0.40 0.00 -3.80 2.03 -1.85 -3.34 116.42 108.93 1wyq h ASP 37 Ca -0.14 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1wyq h ASP 37 Cb 1.64 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 40.24 1wyq h ASP 37 CO 0.17 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.03 1wyq n GLY 38 N 0.60 3.88 0.28 7.15 0.00 -1.26 -4.17 105.19 111.67 1wyq n GLY 38 Ca -0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.71 -0.29 0.99 4.77 -1.26 -0.11 117.00 120.38 1wyq n LEU 39 Ca 0.00 1.29 -0.05 0.00 -0.03 0.00 0.00 56.01 57.22 1wyq n LEU 39 Cb 0.00 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1wyq n LEU 39 CO 0.00 -1.02 0.38 0.00 -1.33 0.00 0.00 177.39 175.42 1wyq n ALA 40 N -3.35 -0.30 -0.21 -1.18 0.00 -1.26 0.14 120.51 114.35 1wyq n ALA 40 Ca 0.01 0.66 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 1wyq n ALA 40 Cb 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 0.82 0.00 0.00 0.04 -0.83 -0.80 116.94 116.17 1wyq h PHE 41 Ca 0.18 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1wyq h PHE 41 Cb 0.36 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1wyq h PHE 41 CO -0.70 0.59 0.00 0.09 -0.60 0.00 0.00 178.31 177.69 1wyq n ASN 42 N -4.58 0.00 -0.11 2.17 3.02 0.36 -2.75 115.26 113.37 1wyq n ASN 42 Ca 0.04 -0.87 -0.15 0.00 -0.03 0.00 0.00 54.58 53.57 1wyq n ASN 42 Cb 0.08 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.87 1.45 0.02 5.41 0.00 0.17 -3.82 120.51 122.88 1wyq n ALA 43 Ca 0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.26 1wyq n ALA 43 Cb 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 1.18 0.68 0.00 2.04 -1.29 -3.04 117.51 117.09 1wyq h ILE 44 Ca -0.56 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1wyq h ILE 44 Cb 2.03 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1wyq h ILE 44 CO -0.04 0.18 -0.33 0.58 0.00 0.00 0.00 178.15 178.55 1wyq h VAL 45 N -0.37 0.00 -0.70 1.67 2.07 -1.79 -3.10 116.25 114.03 1wyq h VAL 45 Ca -0.01 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1wyq h VAL 45 Cb 0.34 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1wyq h VAL 45 CO 0.01 0.00 -0.40 1.57 0.02 0.00 0.00 177.57 178.77 1wyq n HIS 46 N -4.81 -0.27 -0.25 1.57 -0.00 -1.25 0.14 115.22 110.35 1wyq n HIS 46 Ca -0.11 0.87 0.03 0.00 -0.00 0.00 0.00 57.72 58.51 1wyq n HIS 46 Cb 0.36 -0.58 0.12 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.05 0.27 1.57 1.63 -1.56 0.15 116.57 118.69 1wyq h LYS 47 Ca 0.13 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1wyq h LYS 47 Cb 0.30 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1wyq h LYS 47 CO -0.66 0.03 -0.13 0.45 -3.45 0.00 0.00 179.45 175.69 1wyq h HIS 48 N 0.05 -0.34 -2.92 1.91 3.86 0.12 -3.40 115.15 114.44 1wyq h HIS 48 Ca 0.37 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.98 1wyq h HIS 48 Cb 0.62 0.11 -0.40 0.00 1.06 0.00 0.00 27.41 28.80 1wyq h HIS 48 CO -0.48 -0.02 -0.77 1.03 0.86 0.00 0.00 177.93 178.54 1wyq s ARG 49 N -4.89 0.99 0.00 2.45 1.81 0.90 -4.96 118.95 115.24 1wyq s ARG 49 Ca -0.15 -1.66 0.11 0.00 -1.72 0.00 0.00 55.73 52.32 1wyq s ARG 49 Cb 0.03 -2.01 0.65 0.00 -0.45 0.00 0.00 34.95 33.16 1wyq s ARG 49 CO 0.58 -1.14 1.08 -0.35 -0.68 0.00 0.00 175.30 174.79 1wyq n PRO 50 N 3.92 0.49 0.01 3.54 -0.04 0.45 -2.63 135.00 140.74 1wyq n PRO 50 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1wyq n PRO 50 Cb 0.36 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1wyq n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wyq n ASP 51 N -0.85 2.05 0.30 3.54 8.00 -1.26 -4.43 116.55 123.90 1wyq n ASP 51 Ca 0.08 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.65 1wyq n ASP 51 Cb 0.04 -0.82 -0.09 0.00 -0.02 0.00 0.00 41.12 40.23 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wyq h LEU 52 N 0.07 -1.19 -9.53 0.64 3.38 -1.89 -3.45 115.31 103.34 1wyq h LEU 52 Ca -0.41 0.09 -0.58 0.00 0.09 0.00 0.00 57.88 57.06 1wyq h LEU 52 Cb 2.04 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 43.03 1wyq h LEU 52 CO 0.09 -0.62 -0.60 -1.48 0.09 0.00 0.00 178.44 175.92 1wyq s LEU 53 N -9.36 2.65 -0.38 1.67 2.34 -1.26 -5.12 118.68 109.22 1wyq s LEU 53 Ca -0.16 -1.38 0.01 0.00 0.06 0.00 0.00 54.13 52.67 1wyq s LEU 53 Cb 0.03 -0.74 0.11 0.00 -0.56 0.00 0.00 46.19 45.04 1wyq s LEU 53 CO 0.53 -0.51 0.15 -1.81 -1.06 0.00 0.00 176.35 173.65 1wyq s ASP 54 N -3.64 4.05 0.31 1.48 1.01 -1.26 -4.69 116.67 113.92 1wyq s ASP 54 Ca 0.35 -2.18 0.06 0.00 0.71 0.00 0.00 52.55 51.49 1wyq s ASP 54 Cb 0.09 -1.12 0.86 0.00 1.01 0.00 0.00 42.92 43.77 1wyq s ASP 54 CO 0.17 -0.34 1.63 0.15 0.21 0.00 0.00 175.17 176.98 1wyq h PHE 55 N 7.40 0.43 -0.35 4.23 3.57 -1.93 1.19 116.94 131.48 1wyq h PHE 55 Ca -0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1wyq h PHE 55 Cb 0.98 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1wyq h PHE 55 CO 0.43 -0.28 0.17 0.93 -2.23 0.00 0.00 178.31 177.34 1wyq h GLU 56 N 0.17 0.48 -0.12 1.11 4.39 -1.99 -2.64 114.58 115.97 1wyq h GLU 56 Ca 0.63 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 60.15 1wyq h GLU 56 Cb 1.37 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1wyq h GLU 56 CO -0.71 0.37 -0.43 1.03 -1.16 0.00 0.00 179.01 178.11 1wyq h SER 57 N 0.48 0.58 -2.80 1.42 0.87 0.96 -3.45 113.55 111.61 1wyq h SER 57 Ca 0.12 -0.61 -0.58 0.00 -1.23 0.00 0.00 61.79 59.49 1wyq h SER 57 Cb 0.04 -0.17 0.18 0.00 -0.44 0.00 0.00 62.40 62.02 1wyq h SER 57 CO -0.02 1.10 -0.61 0.18 -0.53 0.00 0.00 176.83 176.94 1wyq n LEU 58 N -4.29 -0.40 -4.21 2.23 4.77 -0.45 -4.99 117.00 109.66 1wyq n LEU 58 Ca -0.07 0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 56.28 1wyq n LEU 58 Cb 0.55 -1.10 -0.16 0.00 -2.33 0.00 0.00 43.42 40.38 1wyq n LEU 58 CO 0.45 -3.55 -0.53 -0.54 -1.33 0.00 0.00 177.39 171.88 1wyq s LYS 59 N -2.07 1.92 0.05 3.23 -0.14 -1.26 -5.00 119.74 116.46 1wyq s LYS 59 Ca 0.64 -0.75 -0.18 0.00 -1.36 0.00 0.00 55.97 54.32 1wyq s LYS 59 Cb -0.41 -1.74 -0.15 0.00 -1.68 0.00 0.00 37.83 33.84 1wyq s LYS 59 CO 0.59 0.38 1.29 0.87 -0.76 0.00 0.00 175.35 177.72 1wyq h LYS 60 N 5.89 0.49 -0.93 1.68 1.57 -1.97 -3.26 116.57 120.04 1wyq h LYS 60 Ca -0.36 -0.33 0.19 0.00 -1.87 0.00 0.00 60.65 58.28 1wyq h LYS 60 Cb 1.16 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 1wyq h LYS 60 CO 0.48 0.94 -0.23 0.00 -0.57 0.00 0.00 179.45 180.07 1wyq s ASN 62 N -5.24 6.01 -0.13 0.00 2.47 -1.23 -4.98 114.94 111.85 1wyq s ASN 62 Ca -0.14 -0.20 -0.09 0.00 0.42 0.00 0.00 52.86 52.85 1wyq s ASN 62 Cb 0.25 -2.12 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 1wyq s ASN 62 CO 0.72 -0.13 -0.17 0.00 -3.72 0.00 0.00 177.10 173.80 1wyq n ALA 63 N 5.08 0.43 -0.30 1.71 0.00 -1.25 -3.97 120.51 122.21 1wyq n ALA 63 Ca -0.13 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1wyq n ALA 63 Cb 0.51 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1wyq n ALA 63 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wyq n HIS 64 N -4.33 -0.31 -0.24 0.00 -0.00 -1.26 0.14 115.22 109.21 1wyq n HIS 64 Ca -0.07 0.89 0.05 0.00 -0.00 0.00 0.00 57.72 58.59 1wyq n HIS 64 Cb 0.25 -0.55 0.17 0.00 -0.00 0.00 0.00 29.99 29.86 1wyq n HIS 64 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1wyq h TYR 65 N 0.00 0.23 -0.62 1.57 3.20 -1.93 0.21 116.97 119.63 1wyq h TYR 65 Ca 0.11 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1wyq h TYR 65 Cb 0.29 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1wyq h TYR 65 CO -0.75 -0.09 0.30 -0.91 -1.64 0.00 0.00 178.16 175.06 1wyq h ASN 66 N 0.25 0.79 0.09 -2.11 4.21 0.10 -1.14 115.58 117.77 1wyq h ASN 66 Ca 0.40 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.83 1wyq h ASN 66 Cb 0.68 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1wyq h ASN 66 CO -0.51 0.67 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.19 1wyq h LEU 67 N 0.88 -0.10 -0.89 1.61 3.38 0.19 -3.00 115.31 117.37 1wyq h LEU 67 Ca 0.22 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.43 1wyq h LEU 67 Cb 0.09 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 1wyq h LEU 67 CO -0.03 -0.05 0.31 0.06 0.09 0.00 0.00 178.44 178.82 1wyq h GLN 68 N -0.18 0.25 -0.90 1.13 -0.00 -1.15 0.39 115.11 114.65 1wyq h GLN 68 Ca -0.01 -0.02 0.17 0.00 -0.00 0.00 0.00 58.65 58.79 1wyq h GLN 68 Cb 0.09 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.48 27.41 1wyq h GLN 68 CO 0.02 0.17 0.49 -0.97 -0.00 0.00 0.00 178.83 178.53 1wyq h ASN 69 N 0.26 0.58 0.03 0.06 -1.24 -1.26 0.33 115.58 114.34 1wyq h ASN 69 Ca 0.57 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.68 1wyq h ASN 69 Cb 1.17 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1wyq h ASN 69 CO -0.62 0.21 -0.02 0.00 -1.29 0.00 0.00 177.43 175.71 1wyq h ALA 70 N 1.60 -0.04 -0.86 1.57 0.00 -0.13 -2.27 119.26 119.14 1wyq h ALA 70 Ca 0.51 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1wyq h ALA 70 Cb 0.78 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1wyq h ALA 70 CO -0.39 -0.16 0.56 0.74 0.00 0.00 0.00 179.25 179.99 1wyq h PHE 71 N -0.77 0.78 -0.05 0.00 0.04 -0.67 0.64 116.94 116.90 1wyq h PHE 71 Ca -0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1wyq h PHE 71 Cb 0.67 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1wyq h PHE 71 CO 0.16 0.30 -0.11 -0.91 -0.60 0.00 0.00 178.31 177.15 1wyq h ASN 72 N 0.67 0.19 -0.27 2.17 2.35 -0.42 -1.40 115.58 118.88 1wyq h ASN 72 Ca 0.42 -0.57 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1wyq h ASN 72 Cb 0.68 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1wyq h ASN 72 CO -0.18 0.72 0.13 -0.07 -1.65 0.00 0.00 177.43 176.38 1wyq h LEU 73 N -0.33 0.18 -1.49 1.61 3.38 -0.74 0.74 115.31 118.65 1wyq h LEU 73 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wyq h LEU 73 Cb 0.69 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1wyq h LEU 73 CO 0.02 0.14 -0.06 0.00 0.09 0.00 0.00 178.44 178.64 1wyq h ALA 74 N 1.14 1.02 0.00 1.53 0.00 -0.96 0.45 119.26 122.45 1wyq h ALA 74 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wyq h ALA 74 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wyq h ALA 74 CO -0.09 0.07 -1.23 -1.91 0.00 0.00 0.00 179.25 176.09 1wyq n GLU 75 N -3.19 0.62 -0.07 0.00 0.00 -0.53 -0.03 120.64 117.45 1wyq n GLU 75 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 57.16 57.19 1wyq n GLU 75 Cb 0.32 -1.78 -0.02 0.00 0.00 0.00 0.00 31.44 29.96 1wyq n GLU 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1wyq n LYS 76 N -2.66 0.39 0.02 5.31 3.00 0.25 -3.88 118.16 120.58 1wyq n LYS 76 Ca -0.03 0.15 -0.01 0.00 -0.00 0.00 0.00 58.31 58.43 1wyq n LYS 76 Cb 0.61 -1.18 -0.00 0.00 0.00 0.00 0.00 35.03 34.46 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1wyq h GLU 77 N -0.73 -0.05 -0.30 1.64 4.39 -0.29 -3.32 114.58 115.93 1wyq h GLU 77 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1wyq h GLU 77 Cb 0.73 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1wyq h GLU 77 CO 0.00 -0.03 0.15 -0.07 -1.16 0.00 0.00 179.01 177.90 1wyq h LEU 78 N -0.05 0.39 -0.60 1.33 3.38 -1.62 -3.48 115.31 114.65 1wyq h LEU 78 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wyq h LEU 78 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wyq h LEU 78 CO 0.01 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1wyq n GLY 79 N -0.87 0.65 3.72 0.83 0.00 0.09 -4.99 105.19 104.62 1wyq n GLY 79 Ca -0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.60 3.88 -0.14 0.99 1.43 0.96 -4.94 118.68 120.26 1wyq s LEU 80 Ca 0.00 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1wyq s LEU 80 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1wyq s LEU 80 CO 0.00 0.32 1.68 -0.89 0.23 0.00 0.00 176.35 177.69 1wyq s THR 81 N -0.50 3.59 -0.39 5.49 2.01 -1.26 -4.09 115.64 120.48 1wyq s THR 81 Ca 0.10 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 1wyq s THR 81 Cb -0.12 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1wyq s THR 81 CO 0.02 -0.16 2.18 -0.54 -0.69 0.00 0.00 174.62 175.42 1wyq s LYS 82 N 4.48 2.70 0.13 4.92 1.02 -1.26 -4.80 119.74 126.93 1wyq s LYS 82 Ca 0.75 1.51 0.14 0.00 0.02 0.00 0.00 55.97 58.38 1wyq s LYS 82 Cb -0.30 -4.43 -0.09 0.00 -0.52 0.00 0.00 37.83 32.49 1wyq s LYS 82 CO 0.30 -2.60 1.08 -0.07 -0.92 0.00 0.00 175.35 173.14 1wyq h LEU 83 N 16.76 0.00 0.00 3.17 3.38 -1.98 -3.47 115.31 133.17 1wyq h LEU 83 Ca -0.31 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.29 1wyq h LEU 83 Cb 1.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 1wyq h LEU 83 CO 1.08 0.67 -0.24 0.18 0.09 0.00 0.00 178.44 180.22 1wyq n LEU 84 N -3.09 0.00 -4.13 1.67 4.77 -1.26 -5.13 117.00 109.84 1wyq n LEU 84 Ca -0.05 -1.75 -0.12 0.00 -0.03 0.00 0.00 56.01 54.06 1wyq n LEU 84 Cb 0.85 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.97 1wyq n LEU 84 CO 0.43 -0.31 -0.39 -1.81 -1.33 0.00 0.00 177.39 173.98 1wyq s ASP 85 N -2.65 1.04 0.00 -1.43 1.01 -1.26 -5.02 116.67 108.36 1wyq s ASP 85 Ca 0.05 -0.81 0.16 0.00 0.71 0.00 0.00 52.55 52.65 1wyq s ASP 85 Cb -0.00 0.07 0.92 0.00 1.01 0.00 0.00 42.92 44.92 1wyq s ASP 85 CO 0.03 -0.35 1.35 -0.81 0.21 0.00 0.00 175.17 175.61 1wyq n PRO 86 N 0.59 0.47 -0.07 8.23 -0.04 -1.26 -2.30 135.00 140.63 1wyq n PRO 86 Ca -0.17 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1wyq n PRO 86 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1wyq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wyq n GLU 87 N -1.02 0.35 -0.08 0.54 1.02 -1.26 -4.18 120.64 116.01 1wyq n GLU 87 Ca 0.11 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1wyq n GLU 87 Cb 0.06 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wyq h ASP 88 N 0.00 0.52 0.34 1.62 5.19 -1.94 -3.29 116.42 118.86 1wyq h ASP 88 Ca -0.31 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 55.67 1wyq h ASP 88 Cb 1.48 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1wyq h ASP 88 CO -0.05 0.83 -0.16 0.58 -3.12 0.00 0.00 179.24 177.32 1wyq h VAL 89 N 0.22 0.68 -0.26 -1.35 2.07 -1.73 -3.38 116.25 112.50 1wyq h VAL 89 Ca 0.05 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1wyq h VAL 89 Cb 0.64 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1wyq h VAL 89 CO 0.04 0.07 0.02 -3.20 0.02 0.00 0.00 177.57 174.52 1wyq n ASN 90 N -5.20 1.64 -3.63 0.57 2.85 -1.24 -4.57 115.26 105.68 1wyq n ASN 90 Ca -0.10 -1.76 -0.15 0.00 -0.11 0.00 0.00 54.58 52.46 1wyq n ASN 90 Cb 0.25 -1.67 -0.07 0.00 1.24 0.00 0.00 39.78 39.53 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 15.46 0.03 0.22 3.44 0.11 -1.26 -4.89 120.40 133.50 1wyq s VAL 91 Ca 0.90 -0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 59.53 1wyq s VAL 91 Cb -0.11 -0.85 0.21 0.00 -1.53 0.00 0.00 36.38 34.10 1wyq s VAL 91 CO 0.11 -0.13 1.51 0.47 -3.33 0.00 0.00 175.10 173.73 1wyq n ASP 92 N 0.95 -0.66 -3.60 3.54 8.00 -1.26 -3.64 116.55 119.88 1wyq n ASP 92 Ca -0.20 1.70 -0.29 0.00 0.71 0.00 0.00 54.79 56.71 1wyq n ASP 92 Cb 0.57 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 1wyq n ASP 92 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1wyq s GLN 93 N -5.89 0.81 0.00 -1.24 -1.52 -1.26 -4.81 119.66 105.75 1wyq s GLN 93 Ca -0.13 -1.46 0.00 0.00 -1.95 0.00 0.00 55.36 51.81 1wyq s GLN 93 Cb 0.19 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.21 1wyq s GLN 93 CO 0.69 -1.14 0.00 -0.35 -0.25 0.00 0.00 175.29 174.24 1wyq n PRO 94 N 4.09 0.24 -3.82 2.91 -0.04 -1.24 -5.01 135.00 132.14 1wyq n PRO 94 Ca 0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 1wyq n PRO 94 Cb 0.37 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.71 1wyq n PRO 94 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyq s ASP 95 N -1.51 5.10 0.43 3.54 1.01 -1.26 -4.95 116.67 119.02 1wyq s ASP 95 Ca 0.00 -2.31 0.26 0.00 0.71 0.00 0.00 52.55 51.21 1wyq s ASP 95 Cb 0.00 -1.79 1.29 0.00 1.01 0.00 0.00 42.92 43.44 1wyq s ASP 95 CO 0.00 -0.45 1.70 1.05 0.21 0.00 0.00 175.17 177.68 1wyq h GLU 96 N 7.63 0.21 -0.12 8.23 9.09 -1.96 1.13 114.58 138.79 1wyq h GLU 96 Ca -0.09 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.18 1wyq h GLU 96 Cb 1.01 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 28.05 1wyq h GLU 96 CO 0.67 0.14 -0.48 0.87 0.05 0.00 0.00 179.01 180.26 1wyq h LYS 97 N 0.22 0.32 0.00 1.06 1.79 -1.93 0.37 116.57 118.40 1wyq h LYS 97 Ca 0.70 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1wyq h LYS 97 Cb 2.09 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.75 1wyq h LYS 97 CO -0.32 0.73 0.00 0.77 -1.08 0.00 0.00 179.45 179.55 1wyq h SER 98 N 0.26 0.00 0.00 0.86 0.02 0.89 -3.28 113.55 112.30 1wyq h SER 98 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1wyq h SER 98 Cb 0.94 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1wyq h SER 98 CO 0.08 0.00 -1.08 -0.38 -1.14 0.00 0.00 176.83 174.30 1wyq n ILE 99 N -2.59 1.49 -0.44 3.27 5.41 -0.56 -4.23 119.36 121.71 1wyq n ILE 99 Ca 0.04 0.11 0.36 0.00 1.00 0.00 0.00 62.75 64.26 1wyq n ILE 99 Cb 0.40 -2.29 0.60 0.00 -0.71 0.00 0.00 39.64 37.64 1wyq n ILE 99 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1wyq n ILE 100 N -4.42 -0.19 -0.09 1.39 5.41 0.13 0.22 119.36 121.81 1wyq n ILE 100 Ca -0.17 1.52 -0.13 0.00 1.00 0.00 0.00 62.75 64.98 1wyq n ILE 100 Cb 0.53 -2.50 -0.05 0.00 -0.71 0.00 0.00 39.64 36.92 1wyq n ILE 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wyq h THR 101 N 0.00 1.30 0.55 1.39 2.02 -1.78 -2.41 112.91 113.98 1wyq h THR 101 Ca 0.77 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1wyq h THR 101 Cb 2.56 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 70.55 1wyq h THR 101 CO -0.35 0.41 -0.26 0.22 0.37 0.00 0.00 175.52 175.90 1wyq h TYR 102 N 0.31 -0.68 -1.13 3.16 5.03 0.25 -3.03 116.97 120.89 1wyq h TYR 102 Ca 0.05 -0.02 0.33 0.00 2.58 0.00 0.00 58.73 61.67 1wyq h TYR 102 Cb 0.71 0.23 -0.05 0.00 1.55 0.00 0.00 36.73 39.17 1wyq h TYR 102 CO 0.07 -0.42 0.81 -0.24 -1.32 0.00 0.00 178.16 177.06 1wyq h VAL 103 N -0.93 0.43 -0.95 1.81 3.04 -1.44 0.20 116.25 118.42 1wyq h VAL 103 Ca -0.08 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.82 1wyq h VAL 103 Cb 0.56 0.44 -0.08 0.00 -2.01 0.00 0.00 31.29 30.20 1wyq h VAL 103 CO 0.12 0.00 0.61 0.00 -1.01 0.00 0.00 177.57 177.29 1wyq h ALA 104 N 1.43 2.05 -0.66 3.17 0.00 -1.29 0.24 119.26 124.20 1wyq h ALA 104 Ca 0.53 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 1wyq h ALA 104 Cb 2.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1wyq h ALA 104 CO -0.01 -0.37 0.23 1.79 0.00 0.00 0.00 179.25 180.89 1wyq h THR 105 N 0.52 1.25 -0.56 0.00 1.35 -0.70 -1.39 112.91 113.38 1wyq h THR 105 Ca 0.51 -0.82 0.12 0.00 -0.55 0.00 0.00 66.41 65.67 1wyq h THR 105 Cb 1.11 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1wyq h THR 105 CO -0.24 0.32 0.38 1.88 -0.25 0.00 0.00 175.52 177.61 1wyq h TYR 106 N 0.95 0.24 0.03 4.73 -1.99 -1.06 0.35 116.97 120.23 1wyq h TYR 106 Ca 0.22 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.86 1wyq h TYR 106 Cb 0.26 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 1wyq h TYR 106 CO 0.02 0.11 -0.44 -0.92 -0.00 0.00 0.00 178.16 176.92 1wyq h TYR 107 N 0.22 0.12 0.73 4.88 3.20 -1.34 -3.22 116.97 121.55 1wyq h TYR 107 Ca 0.26 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1wyq h TYR 107 Cb 0.74 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.01 1wyq h TYR 107 CO -0.00 1.17 -0.35 0.45 -1.64 0.00 0.00 178.16 177.79 1wyq h HIS 108 N -0.85 -0.90 0.00 -3.82 3.86 -0.77 0.56 115.15 113.23 1wyq h HIS 108 Ca -0.10 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1wyq h HIS 108 Cb 1.21 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.98 1wyq h HIS 108 CO 0.23 -0.55 0.00 0.98 0.86 0.00 0.00 177.93 179.45 1wyq n TYR 109 N -5.49 0.00 -0.28 2.45 9.36 0.12 -0.64 117.16 122.69 1wyq n TYR 109 Ca -0.14 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.17 1wyq n TYR 109 Cb 0.40 -0.42 0.24 0.00 -0.63 0.00 0.00 39.34 38.92 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1wyq h PHE 110 N 0.00 0.49 -0.34 2.98 0.04 -1.65 -0.97 116.94 117.50 1wyq h PHE 110 Ca 0.00 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.89 1wyq h PHE 110 Cb 0.00 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 37.98 1wyq h PHE 110 CO -0.48 -0.03 -0.19 0.77 -0.60 0.00 0.00 178.31 177.78 1wyq h SER 111 N 0.37 -0.64 -0.88 2.17 0.02 -0.00 -2.07 113.55 112.52 1wyq h SER 111 Ca 0.48 0.14 0.14 0.00 -0.84 0.00 0.00 61.79 61.71 1wyq h SER 111 Cb 0.84 0.33 -0.14 0.00 0.14 0.00 0.00 62.40 63.57 1wyq h SER 111 CO -0.50 -0.22 -0.33 0.29 -1.14 0.00 0.00 176.83 174.93 1wyq n LYS 112 N -5.36 -0.19 -1.47 3.45 4.76 0.19 -3.32 118.16 116.22 1wyq n LYS 112 Ca 0.01 1.35 -0.59 0.00 -2.87 0.00 0.00 58.31 56.21 1wyq n LYS 112 Cb 0.27 -2.01 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 1wyq n LYS 112 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1wyq n MET 113 N -5.31 0.48 -4.11 1.97 2.81 -0.78 0.19 117.12 112.37 1wyq n MET 113 Ca 0.10 0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.82 1wyq n MET 113 Cb 0.36 -1.85 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1wyq n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1wyq n LYS 114 N 6.68 -3.28 -1.68 0.03 5.02 -1.26 -4.91 118.16 118.75 1wyq n LYS 114 Ca 0.42 0.39 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 1wyq n LYS 114 Cb 0.05 -4.87 0.05 0.00 -0.02 0.00 0.00 35.03 30.24 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ALA 115 N -3.56 2.56 -0.26 7.82 0.00 0.13 -5.05 121.76 123.39 1wyq s ALA 115 Ca 0.45 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1wyq s ALA 115 Cb -0.24 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1wyq s ALA 115 CO 0.91 -1.23 -0.03 -0.48 0.00 0.00 0.00 175.76 174.93 1wyq s LEU 116 N -5.18 3.02 -0.29 0.00 2.34 -1.26 -5.07 118.68 112.24 1wyq s LEU 116 Ca 0.62 -1.42 -0.06 0.00 0.06 0.00 0.00 54.13 53.33 1wyq s LEU 116 Cb -0.17 -1.27 0.01 0.00 -0.56 0.00 0.00 46.19 44.20 1wyq s LEU 116 CO 0.47 -0.27 0.07 0.00 -1.06 0.00 0.00 176.35 175.56 1wyq s ALA 117 N 1.29 3.02 -0.02 1.48 0.00 -1.26 -5.08 121.76 121.20 1wyq s ALA 117 Ca -0.02 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.46 1wyq s ALA 117 Cb -0.19 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1wyq s ALA 117 CO -0.08 -0.95 0.03 0.08 0.00 0.00 0.00 175.76 174.84 1wyq s VAL 118 N 1.47 -0.04 0.28 0.00 1.01 -1.26 -5.16 120.40 116.70 1wyq s VAL 118 Ca 0.02 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.26 1wyq s VAL 118 Cb -0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1wyq s VAL 118 CO 0.02 0.07 0.00 -1.61 0.00 0.00 0.00 175.10 173.58 1wyq s GLU 119 N 0.82 2.24 0.00 2.72 8.01 -1.26 -5.14 118.70 126.09 1wyq s GLU 119 Ca -0.07 -1.49 0.00 0.00 0.01 0.00 0.00 54.97 53.42 1wyq s GLU 119 Cb -0.10 -2.11 0.00 0.00 -4.31 0.00 0.00 34.13 27.61 1wyq s GLU 119 CO -0.02 0.30 0.00 0.41 0.01 0.00 0.00 175.26 175.96 1wyq n GLY 120 N -0.92 5.87 3.46 -1.39 0.00 -1.26 -5.09 105.19 105.86 1wyq n GLY 120 Ca -0.06 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 1.15 3.15 1.15 1.61 2.47 -1.26 -5.03 119.74 122.99 1wyq s LYS 121 Ca 0.00 -0.86 -0.13 0.00 -1.56 0.00 0.00 55.97 53.42 1wyq s LYS 121 Cb 0.00 -4.29 0.25 0.00 -1.46 0.00 0.00 37.83 32.34 1wyq s LYS 121 CO 0.00 -1.85 0.87 0.45 0.16 0.00 0.00 175.35 174.98 1wyq n SER 122 N 7.77 -1.73 -4.64 1.43 2.88 -1.26 -4.79 113.62 113.29 1wyq n SER 122 Ca -0.01 -0.12 -0.58 0.00 -1.33 0.00 0.00 58.87 56.83 1wyq n SER 122 Cb 0.46 -1.23 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1wyq n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyq n GLY 123 N 1.13 0.40 3.77 0.46 0.00 -1.26 -4.90 105.19 104.80 1wyq n GLY 123 Ca 0.03 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.56 1wyq n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyq s PRO 124 N 1.83 3.04 0.52 1.61 0.04 -1.26 -4.98 135.00 135.80 1wyq s PRO 124 Ca 0.94 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 1wyq s PRO 124 Cb -1.15 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1wyq s PRO 124 CO 0.61 -1.07 1.38 -1.54 0.04 0.00 0.00 177.00 176.42 1wyq s SER 125 N -2.25 5.44 -0.03 6.66 1.04 -1.26 -4.95 113.70 118.34 1wyq s SER 125 Ca 0.69 2.82 -0.21 0.00 0.48 0.00 0.00 55.95 59.73 1wyq s SER 125 Cb -0.22 -2.64 -0.30 0.00 0.10 0.00 0.00 66.02 62.96 1wyq s SER 125 CO 0.35 -1.46 0.94 0.28 0.98 0.00 0.00 173.24 174.33 1wyq h SER 126 N 1.71 0.49 0.00 7.02 0.02 -2.05 -3.56 113.55 117.18 1wyq h SER 126 Ca -0.51 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.53 1wyq h SER 126 Cb 1.29 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1wyq h SER 126 CO 0.58 1.36 0.00 0.61 -1.14 0.00 0.00 176.83 178.24