#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 1.33 -3.92 1.61 7.64 -1.26 -1.86 113.62 117.16 1wyq n SER 2 Ca 0.00 -0.73 -0.29 0.00 1.01 0.00 0.00 58.87 58.86 1wyq n SER 2 Cb 0.00 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1wyq n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyq n SER 3 N 14.63 -3.84 -0.21 6.43 7.64 -1.26 -4.46 113.62 132.55 1wyq n SER 3 Ca 0.49 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1wyq n SER 3 Cb 0.37 -3.75 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyq n GLY 4 N -1.66 -0.02 3.55 0.23 0.00 -0.78 -4.14 105.19 102.37 1wyq n GLY 4 Ca -0.03 -0.88 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 1wyq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyq n SER 5 N 0.00 0.73 -4.37 1.61 7.64 -1.26 -0.90 113.62 117.07 1wyq n SER 5 Ca 0.00 1.16 -0.38 0.00 1.01 0.00 0.00 58.87 60.66 1wyq n SER 5 Cb 0.00 -1.22 -0.06 0.00 -1.01 0.00 0.00 64.21 61.92 1wyq n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wyq n SER 6 N 1.37 -1.96 -2.67 6.43 2.88 -1.26 -4.80 113.62 113.60 1wyq n SER 6 Ca 0.11 -1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 56.46 1wyq n SER 6 Cb 0.31 -2.12 0.06 0.00 -0.75 0.00 0.00 64.21 61.71 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyq n GLY 7 N -1.42 -1.72 3.39 0.46 0.00 -0.08 -5.17 105.19 100.66 1wyq n GLY 7 Ca 0.03 1.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.87 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq s ALA 8 N 0.41 2.34 -0.18 4.61 0.00 -1.24 -4.14 121.76 123.56 1wyq s ALA 8 Ca 0.25 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 1wyq s ALA 8 Cb 0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.89 1wyq s ALA 8 CO -0.09 0.43 -0.18 1.17 0.00 0.00 0.00 175.76 177.08 1wyq n LYS 9 N 0.54 0.42 0.08 0.00 4.81 -1.26 -4.50 118.16 118.24 1wyq n LYS 9 Ca -0.15 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 1wyq n LYS 9 Cb 0.55 -1.28 -0.08 0.00 0.02 0.00 0.00 35.03 34.24 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1wyq h ASP 10 N -0.22 -0.15 -0.95 3.14 3.32 -1.96 -2.67 116.42 116.93 1wyq h ASP 10 Ca -0.41 -0.21 0.29 0.00 0.02 0.00 0.00 57.03 56.72 1wyq h ASP 10 Cb 1.53 0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.97 1wyq h ASP 10 CO -0.13 0.13 0.33 0.00 -1.72 0.00 0.00 179.24 177.84 1wyq h ALA 11 N 0.38 1.57 0.42 3.45 0.00 -1.94 -0.12 119.26 123.02 1wyq h ALA 11 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wyq h ALA 11 Cb 0.35 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1wyq h ALA 11 CO 0.03 -0.60 -0.20 1.25 0.00 0.00 0.00 179.25 179.73 1wyq h LEU 12 N 0.16 -0.48 -0.97 0.00 5.85 -1.76 -2.92 115.31 115.19 1wyq h LEU 12 Ca 0.66 -0.11 0.30 0.00 0.84 0.00 0.00 57.88 59.57 1wyq h LEU 12 Cb 1.47 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.47 1wyq h LEU 12 CO -0.72 -0.11 0.45 0.25 -0.34 0.00 0.00 178.44 177.97 1wyq h LEU 13 N -0.89 0.32 -0.53 2.25 5.85 -0.72 0.48 115.31 122.07 1wyq h LEU 13 Ca -0.06 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wyq h LEU 13 Cb 0.56 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1wyq h LEU 13 CO 0.09 -0.17 0.28 0.25 -0.34 0.00 0.00 178.44 178.55 1wyq h LEU 14 N 0.25 0.67 0.39 2.25 5.85 -1.19 -2.82 115.31 120.71 1wyq h LEU 14 Ca 0.69 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 1wyq h LEU 14 Cb 1.55 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1wyq h LEU 14 CO -0.65 0.58 -0.34 -0.25 -0.34 0.00 0.00 178.44 177.44 1wyq h TRP 15 N 0.70 -0.93 -0.98 1.25 7.01 0.14 -1.53 115.95 121.60 1wyq h TRP 15 Ca 0.18 0.00 0.34 0.00 2.11 0.00 0.00 58.89 61.53 1wyq h TRP 15 Cb 0.07 0.36 -0.16 0.00 -2.10 0.00 0.00 29.16 27.32 1wyq h TRP 15 CO -0.01 -0.46 0.47 0.00 -2.79 0.00 0.00 178.44 175.64 1wyq h GLN 17 N 0.17 1.15 -0.58 0.00 4.20 -1.16 0.14 115.11 119.03 1wyq h GLN 17 Ca 0.74 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1wyq h GLN 17 Cb 1.76 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.35 1wyq h GLN 17 CO -0.70 0.99 0.38 0.52 -0.67 0.00 0.00 178.83 179.36 1wyq h MET 18 N 1.10 0.77 0.31 1.46 2.86 0.19 0.14 114.93 121.75 1wyq h MET 18 Ca 0.23 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1wyq h MET 18 Cb 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1wyq h MET 18 CO -0.00 0.51 -0.15 0.87 1.06 0.00 0.00 176.91 179.20 1wyq h LYS 19 N 0.79 -0.40 -0.96 1.72 1.79 -1.17 -3.27 116.57 115.06 1wyq h LYS 19 Ca 0.21 0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.95 1wyq h LYS 19 Cb -0.08 0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 1wyq h LYS 19 CO -0.05 -0.26 0.65 1.79 -1.08 0.00 0.00 179.45 180.50 1wyq h THR 20 N -1.11 0.58 -0.78 -0.16 1.35 -0.75 -3.43 112.91 108.61 1wyq h THR 20 Ca -0.04 -0.10 -0.61 0.00 -0.55 0.00 0.00 66.41 65.12 1wyq h THR 20 Cb 0.33 0.28 0.04 0.00 -1.73 0.00 0.00 68.15 67.08 1wyq h THR 20 CO 0.07 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.39 1wyq n ALA 21 N -2.57 -2.91 0.00 6.62 0.00 0.48 -1.62 120.51 120.51 1wyq n ALA 21 Ca 0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1wyq n ALA 21 Cb 0.85 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.20 3.05 3.68 0.00 0.00 -1.26 -5.04 105.19 106.82 1wyq n GLY 22 Ca 0.15 -0.82 -0.47 0.00 0.00 0.00 0.00 46.02 44.88 1wyq n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wyq n TYR 23 N 0.00 2.32 0.00 1.61 4.01 -0.64 -4.90 117.16 119.56 1wyq n TYR 23 Ca 0.00 0.07 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1wyq n TYR 23 Cb 0.00 -2.63 -0.10 0.00 -0.31 0.00 0.00 39.34 36.30 1wyq n TYR 23 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wyq h PRO 24 N 8.21 -0.04 -1.13 -0.72 0.13 -1.96 -3.14 132.00 133.35 1wyq h PRO 24 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1wyq h PRO 24 Cb 1.27 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1wyq h PRO 24 CO 0.93 0.44 0.10 -1.71 -0.23 0.00 0.00 178.00 177.53 1wyq n ASN 25 N -4.88 3.50 -3.75 1.44 5.15 -1.26 -4.75 115.26 110.71 1wyq n ASN 25 Ca -0.08 -2.29 -0.12 0.00 -0.60 0.00 0.00 54.58 51.48 1wyq n ASN 25 Cb 0.25 -0.63 -0.12 0.00 -0.53 0.00 0.00 39.78 38.75 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wyq s VAL 26 N -0.51 -0.02 -0.26 3.44 1.01 -1.19 -4.91 120.40 117.97 1wyq s VAL 26 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1wyq s VAL 26 Cb 0.07 -0.41 0.15 0.00 0.00 0.00 0.00 36.38 36.18 1wyq s VAL 26 CO 0.01 0.03 0.47 0.20 0.00 0.00 0.00 175.10 175.80 1wyq s ASN 27 N 0.67 -0.40 -0.74 3.32 -0.87 -1.26 -4.72 114.94 110.94 1wyq s ASN 27 Ca -0.04 0.57 -0.19 0.00 -1.57 0.00 0.00 52.86 51.63 1wyq s ASN 27 Cb -0.06 1.54 0.11 0.00 -0.02 0.00 0.00 41.25 42.82 1wyq s ASN 27 CO -0.04 -0.28 0.91 -0.69 -2.57 0.00 0.00 177.10 174.44 1wyq s VAL 28 N 2.67 4.71 -0.08 1.60 1.01 -1.26 -4.75 120.40 124.31 1wyq s VAL 28 Ca 0.13 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1wyq s VAL 28 Cb -0.15 -4.63 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 1wyq s VAL 28 CO -0.17 -1.33 -0.04 1.57 0.00 0.00 0.00 175.10 175.12 1wyq n HIS 29 N 6.60 0.00 -4.45 5.22 -0.00 -1.26 -4.73 115.22 116.60 1wyq n HIS 29 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.53 1wyq n HIS 29 Cb 0.46 -0.32 -0.08 0.00 -0.00 0.00 0.00 29.99 30.04 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 -4.48 2.46 -0.18 0.26 6.03 -1.26 -5.05 114.94 112.72 1wyq s ASN 30 Ca -0.09 -1.69 0.16 0.00 -1.03 0.00 0.00 52.86 50.21 1wyq s ASN 30 Cb 0.03 0.52 0.56 0.00 -3.03 0.00 0.00 41.25 39.33 1wyq s ASN 30 CO 0.22 -0.97 1.46 0.49 -2.03 0.00 0.00 177.10 176.27 1wyq n PHE 31 N -0.83 1.08 0.06 1.54 3.72 -1.26 -4.29 117.46 117.49 1wyq n PHE 31 Ca -0.02 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 1wyq n PHE 31 Cb 0.64 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.29 0.80 -0.96 4.37 -2.24 -1.26 -4.00 114.28 110.70 1wyq n THR 32 Ca 0.22 0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 62.03 1wyq n THR 32 Cb 0.91 -1.24 0.08 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.36 3.02 0.00 4.28 -2.24 -1.26 -3.72 114.28 111.00 1wyq n THR 33 Ca 0.00 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1wyq n THR 33 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1wyq n THR 33 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wyq n SER 34 N -0.43 3.70 0.00 3.42 2.88 -1.26 -4.75 113.62 117.17 1wyq n SER 34 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1wyq n SER 34 Cb 0.87 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1wyq n TRP 35 N -1.24 0.00 -0.17 0.66 7.02 -1.25 -4.35 117.44 118.11 1wyq n TRP 35 Ca 0.00 -0.43 -0.06 0.00 -1.02 0.00 0.00 57.50 56.00 1wyq n TRP 35 Cb 0.10 -0.04 0.04 0.00 -2.42 0.00 0.00 31.31 28.98 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 0.56 0.09 -0.99 1.12 -1.81 -3.19 114.38 110.17 1wyq h ARG 36 Ca 0.00 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1wyq h ARG 36 Cb 0.56 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1wyq h ARG 36 CO 0.00 0.37 -0.04 0.22 -3.11 0.00 0.00 179.97 177.41 1wyq h ASP 37 N 0.58 -0.11 0.00 -3.80 3.58 -1.88 -3.13 116.42 111.66 1wyq h ASP 37 Ca 0.20 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1wyq h ASP 37 Cb 0.03 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1wyq h ASP 37 CO -0.10 0.54 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1wyq n GLY 38 N 1.09 2.23 0.28 -0.78 0.00 -1.21 -4.05 105.19 102.75 1wyq n GLY 38 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.43 -0.30 0.99 4.77 -1.26 0.12 117.00 120.89 1wyq n LEU 39 Ca 0.00 1.26 0.02 0.00 -0.03 0.00 0.00 56.01 57.26 1wyq n LEU 39 Cb 0.00 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1wyq n LEU 39 CO 0.00 -1.15 0.68 0.00 -1.33 0.00 0.00 177.39 175.59 1wyq h ALA 40 N 1.08 0.48 -0.51 -1.18 0.00 -1.91 0.33 119.26 117.55 1wyq h ALA 40 Ca 0.27 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1wyq h ALA 40 Cb 0.45 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wyq h ALA 40 CO -0.72 -0.44 0.27 0.74 0.00 0.00 0.00 179.25 179.09 1wyq h PHE 41 N -0.01 0.71 0.00 0.00 0.04 0.52 -1.07 116.94 117.13 1wyq h PHE 41 Ca 0.39 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1wyq h PHE 41 Cb 0.61 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1wyq h PHE 41 CO -0.68 0.54 0.00 0.09 -0.60 0.00 0.00 178.31 177.66 1wyq n ASN 42 N -4.63 0.00 -0.12 2.17 3.02 0.85 -2.91 115.26 113.64 1wyq n ASN 42 Ca 0.02 -0.96 -0.17 0.00 -0.03 0.00 0.00 54.58 53.44 1wyq n ASN 42 Cb 0.10 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.84 1.44 0.17 5.41 0.00 0.54 -4.00 120.51 123.23 1wyq n ALA 43 Ca 0.12 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.28 1wyq n ALA 43 Cb 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 0.74 0.46 0.00 2.04 -1.33 -2.91 117.51 116.51 1wyq h ILE 44 Ca -0.57 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1wyq h ILE 44 Cb 1.95 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1wyq h ILE 44 CO -0.07 0.01 -0.28 0.58 0.00 0.00 0.00 178.15 178.39 1wyq h VAL 45 N -0.40 0.00 -0.69 1.67 2.07 -1.80 -2.74 116.25 114.35 1wyq h VAL 45 Ca -0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.71 1wyq h VAL 45 Cb 0.31 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 1wyq h VAL 45 CO 0.06 0.00 0.16 1.57 0.02 0.00 0.00 177.57 179.38 1wyq n HIS 46 N -4.12 0.59 -0.10 1.57 -0.00 -1.24 0.24 115.22 112.17 1wyq n HIS 46 Ca -0.09 0.83 -0.08 0.00 -0.00 0.00 0.00 57.72 58.39 1wyq n HIS 46 Cb 0.29 -1.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.17 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 0.36 0.07 1.57 1.63 -1.28 -1.18 116.57 117.73 1wyq h LYS 47 Ca 0.49 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1wyq h LYS 47 Cb 1.15 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1wyq h LYS 47 CO -0.60 0.24 -0.03 0.45 -3.45 0.00 0.00 179.45 176.05 1wyq h HIS 48 N 0.37 -0.09 -3.24 1.91 3.86 0.31 -3.41 115.15 114.86 1wyq h HIS 48 Ca 0.14 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.72 1wyq h HIS 48 Cb 0.04 0.03 -0.41 0.00 1.06 0.00 0.00 27.41 28.13 1wyq h HIS 48 CO -0.09 0.43 -0.63 1.03 0.86 0.00 0.00 177.93 179.53 1wyq s ARG 49 N -2.60 2.05 0.00 2.45 1.81 0.15 -4.93 118.95 117.88 1wyq s ARG 49 Ca -0.12 -2.79 0.11 0.00 -1.72 0.00 0.00 55.73 51.21 1wyq s ARG 49 Cb -0.01 -3.24 0.65 0.00 -0.45 0.00 0.00 34.95 31.90 1wyq s ARG 49 CO 0.44 -1.17 1.09 -0.35 -0.68 0.00 0.00 175.30 174.62 1wyq n PRO 50 N 2.79 0.50 -0.10 3.54 -0.04 -0.45 -2.95 135.00 138.29 1wyq n PRO 50 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1wyq n PRO 50 Cb 0.33 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1wyq n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wyq n ASP 51 N -0.84 1.89 -0.30 3.54 2.03 -1.26 -4.45 116.55 117.16 1wyq n ASP 51 Ca 0.08 0.39 -0.11 0.00 0.52 0.00 0.00 54.79 55.67 1wyq n ASP 51 Cb 0.04 -0.95 -0.09 0.00 -0.72 0.00 0.00 41.12 39.40 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wyq h LEU 52 N -0.89 -1.96 -9.13 -2.67 3.38 -1.94 -3.43 115.31 98.68 1wyq h LEU 52 Ca -0.38 0.28 -0.48 0.00 0.09 0.00 0.00 57.88 57.40 1wyq h LEU 52 Cb 1.40 0.84 -0.14 0.00 0.09 0.00 0.00 40.66 42.85 1wyq h LEU 52 CO -0.19 -0.28 -0.66 -1.48 0.09 0.00 0.00 178.44 175.92 1wyq s LEU 53 N -10.21 2.40 -0.24 1.67 2.34 -1.26 -5.07 118.68 108.31 1wyq s LEU 53 Ca -0.12 -1.23 0.05 0.00 0.06 0.00 0.00 54.13 52.89 1wyq s LEU 53 Cb 0.10 -0.55 -0.18 0.00 -0.56 0.00 0.00 46.19 45.00 1wyq s LEU 53 CO 0.59 -0.42 -0.16 0.47 -1.06 0.00 0.00 176.35 175.77 1wyq n ASP 54 N -0.59 1.70 -2.11 1.48 9.92 -1.26 -4.72 116.55 120.97 1wyq n ASP 54 Ca -0.05 -0.11 -0.15 0.00 -0.53 0.00 0.00 54.79 53.95 1wyq n ASP 54 Cb 0.64 -0.12 0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1wyq n ASP 54 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1wyq n PHE 55 N -3.13 -1.33 -0.01 1.24 7.35 -1.26 -4.90 117.46 115.42 1wyq n PHE 55 Ca -0.42 0.35 -0.01 0.00 -0.76 0.00 0.00 57.45 56.62 1wyq n PHE 55 Cb 1.00 -3.38 -0.02 0.00 0.35 0.00 0.00 39.48 37.43 1wyq n PHE 55 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1wyq n GLU 56 N -2.97 3.36 0.01 -4.13 0.28 -1.26 -4.72 120.64 111.21 1wyq n GLU 56 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.79 1wyq n GLU 56 Cb 0.58 -1.05 -0.14 0.00 1.43 0.00 0.00 31.44 32.26 1wyq n GLU 56 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wyq h SER 57 N 0.00 0.21 -1.12 -1.84 0.02 -2.04 -3.47 113.55 105.31 1wyq h SER 57 Ca -0.05 -0.38 -0.67 0.00 -0.84 0.00 0.00 61.79 59.85 1wyq h SER 57 Cb 1.12 -0.07 0.11 0.00 0.14 0.00 0.00 62.40 63.70 1wyq h SER 57 CO 0.00 1.33 -0.47 0.18 -1.14 0.00 0.00 176.83 176.73 1wyq n LEU 58 N -3.28 -0.99 -4.33 5.07 4.77 -1.26 -4.97 117.00 112.00 1wyq n LEU 58 Ca -0.19 1.13 -0.22 0.00 -0.03 0.00 0.00 56.01 56.70 1wyq n LEU 58 Cb 1.04 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1wyq n LEU 58 CO 0.46 -2.85 -0.48 -0.54 -1.33 0.00 0.00 177.39 172.65 1wyq s LYS 59 N -1.03 1.26 -0.24 3.23 -0.14 -1.26 -5.03 119.74 116.52 1wyq s LYS 59 Ca 0.64 -1.38 -0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1wyq s LYS 59 Cb -0.91 -1.33 0.10 0.00 -1.68 0.00 0.00 37.83 34.01 1wyq s LYS 59 CO 0.56 0.27 2.28 1.17 -0.76 0.00 0.00 175.35 178.87 1wyq n LYS 60 N 0.36 1.74 0.00 1.68 4.81 -1.26 -3.94 118.16 121.55 1wyq n LYS 60 Ca -0.14 -1.30 0.00 0.00 -0.87 0.00 0.00 58.31 56.00 1wyq n LYS 60 Cb 0.57 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ASN 62 N -4.91 6.88 0.01 0.00 0.02 -1.25 -4.89 114.94 110.80 1wyq s ASN 62 Ca 0.00 -2.85 -0.25 0.00 -1.02 0.00 0.00 52.86 48.74 1wyq s ASN 62 Cb 0.00 -2.23 -0.16 0.00 0.02 0.00 0.00 41.25 38.88 1wyq s ASN 62 CO 0.00 -0.55 1.20 0.00 0.02 0.00 0.00 177.10 177.77 1wyq h ALA 63 N 7.61 -0.51 -1.02 0.60 0.00 -1.85 -2.53 119.26 121.55 1wyq h ALA 63 Ca 0.13 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 55.25 1wyq h ALA 63 Cb 1.00 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1wyq h ALA 63 CO 0.85 -0.62 0.59 1.58 0.00 0.00 0.00 179.25 181.65 1wyq n HIS 64 N -5.18 0.91 -0.03 0.00 -0.00 -1.25 0.52 115.22 110.18 1wyq n HIS 64 Ca -0.10 0.92 -0.12 0.00 -0.00 0.00 0.00 57.72 58.42 1wyq n HIS 64 Cb 0.28 -1.33 -0.11 0.00 -0.00 0.00 0.00 29.99 28.83 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 -0.03 -0.68 1.57 3.20 -1.84 -1.97 116.97 117.21 1wyq h TYR 65 Ca 0.77 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.75 1wyq h TYR 65 Cb 2.20 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 40.41 1wyq h TYR 65 CO -0.01 0.66 0.29 -0.91 -1.64 0.00 0.00 178.16 176.55 1wyq h ASN 66 N -0.81 0.31 0.06 -2.11 2.35 0.51 0.29 115.58 116.18 1wyq h ASN 66 Ca -0.00 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1wyq h ASN 66 Cb 0.71 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1wyq h ASN 66 CO 0.01 0.16 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.85 1wyq h LEU 67 N 0.47 -0.07 -1.05 1.61 3.38 -0.74 -2.77 115.31 116.14 1wyq h LEU 67 Ca 0.35 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.67 1wyq h LEU 67 Cb 0.45 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.07 1wyq h LEU 67 CO -0.33 -0.03 0.59 0.06 0.09 0.00 0.00 178.44 178.83 1wyq h GLN 68 N -0.13 0.25 0.51 1.13 3.07 -1.32 0.73 115.11 119.34 1wyq h GLN 68 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1wyq h GLN 68 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 1wyq h GLN 68 CO 0.01 0.16 -0.37 -0.97 0.09 0.00 0.00 178.83 177.76 1wyq h ASN 69 N 0.25 -0.96 0.32 0.06 -1.24 -0.46 0.01 115.58 113.56 1wyq h ASN 69 Ca 0.76 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.83 1wyq h ASN 69 Cb 1.84 0.30 -0.02 0.00 0.73 0.00 0.00 38.32 41.17 1wyq h ASN 69 CO -0.61 -0.55 -0.31 0.00 -1.29 0.00 0.00 177.43 174.67 1wyq h ALA 70 N -0.49 -0.67 -0.83 1.57 0.00 -0.60 -0.93 119.26 117.31 1wyq h ALA 70 Ca -0.05 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.93 1wyq h ALA 70 Cb 0.72 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1wyq h ALA 70 CO 0.02 -0.91 0.33 0.74 0.00 0.00 0.00 179.25 179.43 1wyq h PHE 71 N -0.66 0.56 -0.44 0.00 0.04 -1.20 0.13 116.94 115.37 1wyq h PHE 71 Ca -0.02 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1wyq h PHE 71 Cb 0.60 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1wyq h PHE 71 CO -0.19 -0.00 0.18 -0.91 -0.60 0.00 0.00 178.31 176.79 1wyq h ASN 72 N 0.41 0.60 -0.38 2.17 2.35 -0.53 0.76 115.58 120.97 1wyq h ASN 72 Ca 0.49 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1wyq h ASN 72 Cb 0.84 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1wyq h ASN 72 CO -0.48 0.60 0.17 -0.07 -1.65 0.00 0.00 177.43 176.01 1wyq h LEU 73 N 0.57 0.50 -0.56 1.61 3.38 0.38 -0.22 115.31 120.98 1wyq h LEU 73 Ca 0.15 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1wyq h LEU 73 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wyq h LEU 73 CO -0.01 0.50 -0.72 0.00 0.09 0.00 0.00 178.44 178.30 1wyq h ALA 74 N 1.02 0.81 0.00 1.53 0.00 -0.69 0.44 119.26 122.37 1wyq h ALA 74 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wyq h ALA 74 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wyq h ALA 74 CO -0.01 0.90 0.00 1.49 0.00 0.00 0.00 179.25 181.62 1wyq h GLU 75 N 0.01 0.00 0.00 0.00 4.81 0.84 0.27 114.58 120.50 1wyq h GLU 75 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1wyq h GLU 75 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1wyq h GLU 75 CO 0.09 0.00 -1.00 1.17 -0.73 0.00 0.00 179.01 178.55 1wyq n LYS 76 N -2.35 0.33 0.00 1.92 4.81 -0.12 -4.13 118.16 118.63 1wyq n LYS 76 Ca 0.04 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1wyq n LYS 76 Cb 0.38 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1wyq n LYS 76 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wyq n GLU 77 N -3.99 0.00 -0.26 1.64 -0.58 0.15 -3.83 120.64 113.77 1wyq n GLU 77 Ca -0.16 0.48 -0.06 0.00 -0.42 0.00 0.00 57.16 57.01 1wyq n GLU 77 Cb 0.44 -1.36 0.05 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.91 -0.42 -4.62 3.38 -1.60 -3.48 115.31 109.47 1wyq h LEU 78 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wyq h LEU 78 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1wyq h LEU 78 CO 0.00 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1wyq n GLY 79 N -1.05 0.94 3.91 0.83 0.00 0.85 -5.01 105.19 105.66 1wyq n GLY 79 Ca 0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.42 4.26 -0.30 0.99 1.43 -0.71 -4.97 118.68 118.96 1wyq s LEU 80 Ca 0.00 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 1wyq s LEU 80 Cb 0.00 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1wyq s LEU 80 CO 0.00 0.03 0.82 -0.89 0.23 0.00 0.00 176.35 176.53 1wyq s THR 81 N -1.72 4.78 -0.15 5.49 2.01 -1.26 -4.22 115.64 120.57 1wyq s THR 81 Ca 0.40 1.29 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 1wyq s THR 81 Cb -0.12 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 1wyq s THR 81 CO 0.26 -0.24 2.08 0.29 -0.69 0.00 0.00 174.62 176.32 1wyq n LYS 82 N 6.22 2.09 -0.09 4.92 5.02 -1.26 -4.84 118.16 130.23 1wyq n LYS 82 Ca 0.05 0.68 -0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1wyq n LYS 82 Cb 0.48 -2.92 -0.13 0.00 -0.02 0.00 0.00 35.03 32.44 1wyq n LYS 82 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wyq n LEU 83 N 9.23 2.67 -5.02 -0.35 4.77 -1.26 -5.00 117.00 122.04 1wyq n LEU 83 Ca 0.28 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 1wyq n LEU 83 Cb 0.37 -0.85 0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1wyq n LEU 83 CO 0.70 0.88 0.31 -0.76 -1.33 0.00 0.00 177.39 177.19 1wyq s LEU 84 N -6.58 2.97 0.08 2.23 1.43 -1.26 -5.14 118.68 112.41 1wyq s LEU 84 Ca -0.30 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 51.92 1wyq s LEU 84 Cb 0.08 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1wyq s LEU 84 CO 0.66 -1.36 -0.23 -1.81 0.23 0.00 0.00 176.35 173.83 1wyq s ASP 85 N -4.63 2.82 0.00 2.29 1.01 -1.26 -5.01 116.67 111.89 1wyq s ASP 85 Ca 0.57 -0.63 0.13 0.00 0.71 0.00 0.00 52.55 53.33 1wyq s ASP 85 Cb -0.05 -0.21 0.80 0.00 1.01 0.00 0.00 42.92 44.48 1wyq s ASP 85 CO 0.36 0.16 1.22 -0.81 0.21 0.00 0.00 175.17 176.31 1wyq n PRO 86 N 1.40 0.49 -0.00 8.23 -0.04 -1.26 -2.22 135.00 141.60 1wyq n PRO 86 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1wyq n PRO 86 Cb 0.53 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.93 1.37 0.13 0.54 0.28 -1.26 -3.97 120.64 116.80 1wyq n GLU 87 Ca 0.10 -0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1wyq n GLU 87 Cb 0.05 -1.05 0.03 0.00 1.43 0.00 0.00 31.44 31.89 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1wyq h ASP 88 N 0.00 0.00 0.01 -1.84 3.32 -1.87 -3.36 116.42 112.68 1wyq h ASP 88 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wyq h ASP 88 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1wyq h ASP 88 CO 0.00 0.21 -0.00 0.58 -1.72 0.00 0.00 179.24 178.31 1wyq h VAL 89 N 0.00 1.59 -0.22 -1.35 2.07 -1.70 -3.40 116.25 113.24 1wyq h VAL 89 Ca -0.03 -1.92 -0.09 0.00 0.82 0.00 0.00 66.70 65.47 1wyq h VAL 89 Cb 1.19 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1wyq h VAL 89 CO 0.02 0.49 0.29 0.54 0.02 0.00 0.00 177.57 178.93 1wyq s ASN 90 N -6.02 3.83 0.06 0.57 4.22 -1.18 -4.57 114.94 111.84 1wyq s ASN 90 Ca -0.17 -1.05 -0.07 0.00 -2.14 0.00 0.00 52.86 49.42 1wyq s ASN 90 Cb -0.01 -2.59 -0.01 0.00 1.28 0.00 0.00 41.25 39.92 1wyq s ASN 90 CO 0.66 -4.31 0.15 0.54 -2.04 0.00 0.00 177.10 172.09 1wyq s VAL 91 N 15.48 0.14 0.16 3.54 0.11 -1.26 -5.00 120.40 133.56 1wyq s VAL 91 Ca 0.79 -1.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.48 1wyq s VAL 91 Cb -0.05 -1.11 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1wyq s VAL 91 CO 0.16 -0.62 1.59 0.44 -3.33 0.00 0.00 175.10 173.34 1wyq h ASP 92 N 3.24 -1.16 -2.85 3.54 5.19 -1.97 -3.34 116.42 119.07 1wyq h ASP 92 Ca -0.33 0.20 -0.60 0.00 -0.62 0.00 0.00 57.03 55.68 1wyq h ASP 92 Cb 1.19 0.54 -0.39 0.00 0.18 0.00 0.00 39.33 40.84 1wyq h ASP 92 CO 0.53 -0.33 -0.83 -1.10 -3.12 0.00 0.00 179.24 174.39 1wyq s GLN 93 N -5.97 1.03 0.73 3.56 -0.21 -1.26 -4.76 119.66 112.78 1wyq s GLN 93 Ca -0.15 -1.91 -0.12 0.00 0.02 0.00 0.00 55.36 53.20 1wyq s GLN 93 Cb 0.13 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.35 1wyq s GLN 93 CO 0.67 -1.25 1.10 -1.25 -2.12 0.00 0.00 175.29 172.44 1wyq s PRO 94 N 0.37 2.47 -0.83 2.91 0.04 -1.25 -4.89 135.00 133.82 1wyq s PRO 94 Ca 0.22 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 1wyq s PRO 94 Cb -0.15 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1wyq s PRO 94 CO -0.06 -1.49 2.13 -0.51 0.04 0.00 0.00 177.00 177.11 1wyq s ASP 95 N -3.09 4.66 0.35 6.66 1.01 -1.26 -4.74 116.67 120.26 1wyq s ASP 95 Ca 0.63 -0.31 0.16 0.00 0.71 0.00 0.00 52.55 53.75 1wyq s ASP 95 Cb -0.18 -2.55 1.17 0.00 1.01 0.00 0.00 42.92 42.37 1wyq s ASP 95 CO 0.50 -3.15 1.61 1.05 0.21 0.00 0.00 175.17 175.39 1wyq h GLU 96 N 12.25 0.11 -0.72 8.23 9.09 -1.90 1.05 114.58 142.69 1wyq h GLU 96 Ca 0.03 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.40 1wyq h GLU 96 Cb 1.02 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.06 1wyq h GLU 96 CO 1.13 0.08 0.31 0.87 0.05 0.00 0.00 179.01 181.45 1wyq h LYS 97 N 0.12 1.07 0.00 1.06 6.56 -1.86 0.22 116.57 123.73 1wyq h LYS 97 Ca 0.77 -0.18 -0.00 0.00 -1.06 0.00 0.00 60.65 60.18 1wyq h LYS 97 Cb 1.90 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 33.38 1wyq h LYS 97 CO -0.73 0.87 -0.01 0.66 -2.06 0.00 0.00 179.45 178.18 1wyq h SER 98 N 1.03 0.00 0.00 0.86 4.64 0.76 -2.74 113.55 118.10 1wyq h SER 98 Ca 0.24 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.25 1wyq h SER 98 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 1wyq h SER 98 CO -0.02 0.01 -1.72 -0.38 -0.87 0.00 0.00 176.83 173.85 1wyq n ILE 99 N -3.14 1.54 -0.32 0.95 5.41 -0.69 -3.82 119.36 119.28 1wyq n ILE 99 Ca -0.01 -0.17 0.24 0.00 1.00 0.00 0.00 62.75 63.81 1wyq n ILE 99 Cb 0.19 -1.97 0.54 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.96 0.50 -0.24 1.39 2.04 -0.52 0.33 117.51 120.05 1wyq h ILE 100 Ca -0.47 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.08 1wyq h ILE 100 Cb 1.43 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1wyq h ILE 100 CO -0.27 0.06 -0.59 0.74 0.00 0.00 0.00 178.15 178.08 1wyq h THR 101 N 0.34 1.29 0.40 -0.27 2.02 -1.67 -2.55 112.91 112.47 1wyq h THR 101 Ca 0.60 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1wyq h THR 101 Cb 1.61 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1wyq h THR 101 CO -0.27 0.58 -0.19 0.22 0.37 0.00 0.00 175.52 176.23 1wyq h TYR 102 N 0.59 -0.50 -0.54 3.16 5.03 -0.58 -3.18 116.97 120.94 1wyq h TYR 102 Ca 0.00 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.46 1wyq h TYR 102 Cb 1.19 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.62 1wyq h TYR 102 CO 0.07 -0.31 0.55 -0.24 -1.32 0.00 0.00 178.16 176.91 1wyq h VAL 103 N -1.01 0.36 0.00 1.81 3.04 -0.96 0.34 116.25 119.83 1wyq h VAL 103 Ca -0.06 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 1wyq h VAL 103 Cb 0.41 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1wyq h VAL 103 CO 0.09 0.00 -0.06 0.00 -1.01 0.00 0.00 177.57 176.59 1wyq h ALA 104 N 1.41 1.86 -0.34 3.17 0.00 -1.43 -2.49 119.26 121.44 1wyq h ALA 104 Ca 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1wyq h ALA 104 Cb 1.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1wyq h ALA 104 CO -0.00 0.08 0.05 1.79 0.00 0.00 0.00 179.25 181.17 1wyq h THR 105 N 0.00 1.24 -0.84 0.00 1.35 -0.40 0.23 112.91 114.50 1wyq h THR 105 Ca -0.00 -0.85 0.12 0.00 -0.55 0.00 0.00 66.41 65.13 1wyq h THR 105 Cb 0.12 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.62 1wyq h THR 105 CO 0.01 0.28 0.54 1.88 -0.25 0.00 0.00 175.52 177.98 1wyq h TYR 106 N 0.39 0.79 0.00 4.73 -1.99 -1.55 0.10 116.97 119.45 1wyq h TYR 106 Ca 0.10 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1wyq h TYR 106 Cb 0.37 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 1wyq h TYR 106 CO 0.03 0.34 -0.21 -0.92 -0.00 0.00 0.00 178.16 177.39 1wyq h TYR 107 N 0.71 0.00 -0.26 4.88 3.20 -1.47 -3.14 116.97 120.88 1wyq h TYR 107 Ca 0.40 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.33 1wyq h TYR 107 Cb 0.57 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 1wyq h TYR 107 CO -0.00 0.67 -0.33 1.25 -1.64 0.00 0.00 178.16 178.11 1wyq h HIS 108 N -1.00 -0.91 0.00 -3.82 2.76 -0.35 0.26 115.15 112.09 1wyq h HIS 108 Ca -0.05 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1wyq h HIS 108 Cb 0.69 0.44 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1wyq h HIS 108 CO 0.13 -0.39 0.00 0.98 -1.30 0.00 0.00 177.93 177.34 1wyq n TYR 109 N -5.41 0.00 -0.42 5.26 9.36 0.34 -0.63 117.16 125.67 1wyq n TYR 109 Ca -0.01 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.56 1wyq n TYR 109 Cb 0.33 -0.49 0.67 0.00 -0.63 0.00 0.00 39.34 39.22 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 0.33 0.53 2.98 0.04 -1.48 -0.19 116.94 119.14 1wyq h PHE 110 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1wyq h PHE 110 Cb 0.00 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.07 1wyq h PHE 110 CO -0.10 -0.05 -0.26 1.03 -0.60 0.00 0.00 178.31 178.34 1wyq h SER 111 N 0.13 -0.60 -0.74 2.17 0.87 0.19 -3.18 113.55 112.39 1wyq h SER 111 Ca 0.70 -0.05 0.21 0.00 -1.23 0.00 0.00 61.79 61.42 1wyq h SER 111 Cb 2.38 0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 64.36 1wyq h SER 111 CO -0.21 -0.22 0.03 0.29 -0.53 0.00 0.00 176.83 176.19 1wyq n LYS 112 N -5.28 -0.06 -0.75 2.24 5.02 0.20 -4.44 118.16 115.09 1wyq n LYS 112 Ca -0.10 1.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.98 1wyq n LYS 112 Cb 0.32 -1.76 0.12 0.00 -0.02 0.00 0.00 35.03 33.68 1wyq n LYS 112 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1wyq n MET 113 N -5.00 -1.16 -3.65 1.97 2.81 -1.18 -3.63 117.12 107.27 1wyq n MET 113 Ca 0.18 -0.33 -0.24 0.00 -1.81 0.00 0.00 57.70 55.49 1wyq n MET 113 Cb 0.59 -1.40 0.07 0.00 -0.71 0.00 0.00 33.22 31.76 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 -0.40 -7.20 -3.51 0.03 4.76 -1.26 -4.98 118.16 105.60 1wyq n LYS 114 Ca 0.01 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.09 1wyq n LYS 114 Cb 0.59 -5.77 -0.04 0.00 -1.84 0.00 0.00 35.03 27.97 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 -3.33 -1.43 -0.08 7.82 0.00 -1.24 -5.13 121.76 118.37 1wyq s ALA 115 Ca 0.52 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1wyq s ALA 115 Cb -0.24 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1wyq s ALA 115 CO 0.76 -0.63 1.52 -0.51 0.00 0.00 0.00 175.76 176.89 1wyq s LEU 116 N -2.39 4.28 0.27 0.00 2.01 -1.26 -4.97 118.68 116.63 1wyq s LEU 116 Ca -0.02 2.07 -0.21 0.00 0.01 0.00 0.00 54.13 55.98 1wyq s LEU 116 Cb -0.00 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.68 1wyq s LEU 116 CO -0.07 -0.86 0.72 0.00 1.01 0.00 0.00 176.35 177.15 1wyq s ALA 117 N 3.69 -1.24 -0.02 4.21 0.00 -1.26 -5.13 121.76 122.02 1wyq s ALA 117 Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1wyq s ALA 117 Cb -0.30 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 1wyq s ALA 117 CO 0.25 -1.03 1.64 0.14 0.00 0.00 0.00 175.76 176.76 1wyq s VAL 118 N -3.90 3.46 0.19 0.00 -7.23 -1.26 -4.90 120.40 106.77 1wyq s VAL 118 Ca 0.11 0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 60.73 1wyq s VAL 118 Cb -0.06 -3.43 0.11 0.00 0.56 0.00 0.00 36.38 33.56 1wyq s VAL 118 CO 0.06 -0.04 1.48 -0.62 -0.31 0.00 0.00 175.10 175.67 1wyq n GLU 119 N 6.67 -0.30 -3.63 4.82 1.02 -1.26 -4.81 120.64 123.14 1wyq n GLU 119 Ca 0.17 1.46 -0.23 0.00 -0.02 0.00 0.00 57.16 58.54 1wyq n GLU 119 Cb 0.42 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1wyq n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wyq n GLY 120 N -1.37 -1.04 3.17 0.62 0.00 -1.26 -4.94 105.19 100.37 1wyq n GLY 120 Ca 0.07 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.77 3.00 -0.18 1.61 2.36 -1.26 -5.00 119.74 115.50 1wyq s LYS 121 Ca 0.05 -0.85 -0.04 0.00 -2.55 0.00 0.00 55.97 52.58 1wyq s LYS 121 Cb -0.03 -2.42 -0.10 0.00 -1.05 0.00 0.00 37.83 34.23 1wyq s LYS 121 CO 0.75 -0.02 -0.20 0.43 1.55 0.00 0.00 175.35 177.86 1wyq n SER 122 N 4.08 1.99 0.00 1.43 7.64 -1.26 -5.14 113.62 122.36 1wyq n SER 122 Ca -0.20 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wyq n SER 122 Cb 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1wyq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyq n GLY 123 N 2.23 1.26 3.77 0.23 0.00 -1.26 -5.08 105.19 106.34 1wyq n GLY 123 Ca -0.35 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.07 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 -1.22 2.54 0.06 1.61 0.04 -1.26 -4.95 135.00 131.82 1wyq s PRO 124 Ca 0.00 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 1wyq s PRO 124 Cb 0.00 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1wyq s PRO 124 CO 0.00 -1.44 1.70 0.45 0.04 0.00 0.00 177.00 177.75 1wyq s SER 125 N -2.96 6.58 0.05 6.66 0.15 -1.26 -5.00 113.70 117.92 1wyq s SER 125 Ca 0.64 2.50 0.06 0.00 0.70 0.00 0.00 55.95 59.85 1wyq s SER 125 Cb -0.19 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1wyq s SER 125 CO 0.48 -0.92 -0.16 -0.94 1.20 0.00 0.00 173.24 172.90 1wyq s SER 126 N 2.71 1.92 0.00 5.45 1.04 -1.26 -5.23 113.70 118.33 1wyq s SER 126 Ca 0.76 -0.53 0.25 0.00 0.48 0.00 0.00 55.95 56.90 1wyq s SER 126 Cb -0.40 -0.12 0.34 0.00 0.10 0.00 0.00 66.02 65.95 1wyq s SER 126 CO 0.33 0.04 1.35 0.61 0.98 0.00 0.00 173.24 176.54