#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 4.04 -0.03 1.61 1.04 -1.26 -5.07 113.70 114.02 1wyq s SER 2 Ca 0.00 -1.19 -0.00 0.00 0.48 0.00 0.00 55.95 55.24 1wyq s SER 2 Cb 0.00 -0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 1wyq s SER 2 CO 0.00 -0.37 -0.03 -0.24 0.98 0.00 0.00 173.24 173.57 1wyq n SER 3 N -0.99 2.45 0.00 7.02 2.88 -1.26 -5.11 113.62 118.61 1wyq n SER 3 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wyq n SER 3 Cb 0.65 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyq n GLY 4 N 3.14 2.70 3.38 0.46 0.00 -1.26 -5.15 105.19 108.46 1wyq n GLY 4 Ca -0.06 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1wyq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyq s SER 5 N 0.00 3.98 -0.08 1.61 1.04 -1.26 -5.04 113.70 113.95 1wyq s SER 5 Ca 0.00 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 1wyq s SER 5 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.60 1wyq s SER 5 CO 0.00 0.19 -0.07 0.28 0.98 0.00 0.00 173.24 174.62 1wyq h SER 6 N 6.53 0.00 -1.23 7.02 0.02 -2.09 -3.47 113.55 120.33 1wyq h SER 6 Ca -0.28 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 1wyq h SER 6 Cb 1.21 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.52 1wyq h SER 6 CO 0.55 0.41 -0.49 -0.83 -1.14 0.00 0.00 176.83 175.33 1wyq s GLY 7 N -3.35 -0.99 0.22 -3.77 0.00 -1.26 -5.15 107.32 93.01 1wyq s GLY 7 Ca -0.06 0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1wyq s GLY 7 CO 0.08 3.45 -0.00 0.00 0.00 0.00 0.00 173.10 176.63 1wyq s ALA 8 N 2.03 1.70 -1.37 3.20 0.00 -1.26 -4.84 121.76 121.21 1wyq s ALA 8 Ca 0.14 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1wyq s ALA 8 Cb -0.08 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1wyq s ALA 8 CO -0.12 -0.27 1.11 1.63 0.00 0.00 0.00 175.76 178.11 1wyq n LYS 9 N -0.37 -7.21 -0.12 0.00 5.02 -1.26 -4.91 118.16 109.30 1wyq n LYS 9 Ca -0.05 0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 56.78 1wyq n LYS 9 Cb 0.64 -5.78 -0.09 0.00 -0.02 0.00 0.00 35.03 29.78 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wyq n ASP 10 N -3.00 1.87 -0.21 4.39 8.00 -1.26 -3.51 116.55 122.83 1wyq n ASP 10 Ca -0.03 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1wyq n ASP 10 Cb 0.57 -0.62 0.11 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.62 0.82 0.08 2.24 0.00 -1.97 0.20 119.26 120.00 1wyq h ALA 11 Ca -0.59 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wyq h ALA 11 Cb 1.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wyq h ALA 11 CO -0.29 -0.16 -0.04 1.25 0.00 0.00 0.00 179.25 180.01 1wyq h LEU 12 N 0.45 -0.09 -1.03 0.00 5.85 -1.99 -2.87 115.31 115.64 1wyq h LEU 12 Ca 0.31 -0.45 0.25 0.00 0.84 0.00 0.00 57.88 58.83 1wyq h LEU 12 Cb 0.37 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 1wyq h LEU 12 CO -0.29 0.59 0.60 0.25 -0.34 0.00 0.00 178.44 179.24 1wyq h LEU 13 N -0.94 0.65 -0.38 2.25 5.85 -1.57 0.16 115.31 121.33 1wyq h LEU 13 Ca -0.01 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1wyq h LEU 13 Cb 0.53 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1wyq h LEU 13 CO 0.02 0.10 -0.16 0.25 -0.34 0.00 0.00 178.44 178.30 1wyq h LEU 14 N 0.56 0.80 0.28 2.25 5.85 -0.69 -2.55 115.31 121.81 1wyq h LEU 14 Ca 0.64 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1wyq h LEU 14 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1wyq h LEU 14 CO -0.46 1.02 -0.39 -0.25 -0.34 0.00 0.00 178.44 178.01 1wyq h TRP 15 N 0.58 -1.10 -0.61 1.25 7.01 -0.46 0.11 115.95 122.72 1wyq h TRP 15 Ca 0.09 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.22 1wyq h TRP 15 Cb 0.70 0.44 -0.09 0.00 -2.10 0.00 0.00 29.16 28.12 1wyq h TRP 15 CO 0.06 -0.49 0.14 0.00 -2.79 0.00 0.00 178.44 175.36 1wyq h GLN 17 N 0.27 0.95 0.20 0.00 4.20 -1.09 0.26 115.11 119.91 1wyq h GLN 17 Ca 0.32 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1wyq h GLN 17 Cb 0.47 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wyq h GLN 17 CO -0.40 0.63 -0.10 0.52 -0.67 0.00 0.00 178.83 178.81 1wyq h MET 18 N 0.98 -0.26 0.75 1.46 2.86 0.85 -1.56 114.93 120.01 1wyq h MET 18 Ca 0.39 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.01 1wyq h MET 18 Cb 0.20 0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1wyq h MET 18 CO -0.18 -0.09 -0.36 0.87 1.06 0.00 0.00 176.91 178.21 1wyq h LYS 19 N -0.39 -0.97 -0.32 1.72 1.79 -0.92 -2.68 116.57 114.81 1wyq h LYS 19 Ca -0.03 0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1wyq h LYS 19 Cb 0.30 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1wyq h LYS 19 CO 0.05 -0.65 0.63 1.79 -1.08 0.00 0.00 179.45 180.18 1wyq h THR 20 N -1.15 0.13 -0.80 -0.16 1.35 -0.57 -1.76 112.91 109.94 1wyq h THR 20 Ca -0.10 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.92 1wyq h THR 20 Cb 0.77 0.44 -0.15 0.00 -1.73 0.00 0.00 68.15 67.49 1wyq h THR 20 CO 0.17 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.22 1wyq h ALA 21 N 1.05 0.49 -0.87 6.62 0.00 -0.91 0.15 119.26 125.78 1wyq h ALA 21 Ca 0.15 0.31 0.23 0.00 0.00 0.00 0.00 54.91 55.60 1wyq h ALA 21 Cb 1.40 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 19.68 1wyq h ALA 21 CO -0.00 -0.42 0.13 0.78 0.00 0.00 0.00 179.25 179.73 1wyq h GLY 22 N -0.01 1.21 -5.91 0.00 0.00 -1.49 -3.36 103.07 93.50 1wyq h GLY 22 Ca 0.38 0.05 -0.60 0.00 0.00 0.00 0.00 47.33 47.16 1wyq h GLY 22 CO -0.83 -0.39 0.33 -0.19 0.00 0.00 0.00 176.54 175.46 1wyq s TYR 23 N -5.99 3.33 0.32 5.60 1.51 0.52 -4.94 117.35 117.69 1wyq s TYR 23 Ca -0.13 1.04 0.11 0.00 -1.01 0.00 0.00 57.07 57.08 1wyq s TYR 23 Cb 0.26 -2.95 0.53 0.00 -0.11 0.00 0.00 41.96 39.68 1wyq s TYR 23 CO 0.77 -0.32 1.72 -1.00 -1.11 0.00 0.00 175.55 175.60 1wyq h PRO 24 N 7.65 0.03 -0.69 -1.71 0.13 -1.80 -2.71 132.00 132.91 1wyq h PRO 24 Ca -0.26 -0.02 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 0.83 0.51 0.00 0.09 -0.23 0.00 0.00 178.00 179.20 1wyq n ASN 25 N -3.96 2.14 -3.81 1.44 5.03 -1.26 -4.72 115.26 110.11 1wyq n ASN 25 Ca -0.02 -2.21 -0.25 0.00 0.87 0.00 0.00 54.58 52.98 1wyq n ASN 25 Cb 0.51 -0.44 -0.17 0.00 -1.02 0.00 0.00 39.78 38.65 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wyq s VAL 26 N -1.59 0.61 -0.09 2.41 1.01 -1.02 -4.96 120.40 116.76 1wyq s VAL 26 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1wyq s VAL 26 Cb 0.12 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1wyq s VAL 26 CO 0.07 0.23 0.03 0.21 0.00 0.00 0.00 175.10 175.63 1wyq s ASN 27 N 1.87 1.72 -1.15 3.32 3.84 -1.26 -4.58 114.94 118.71 1wyq s ASN 27 Ca 0.04 -0.19 -0.08 0.00 0.21 0.00 0.00 52.86 52.85 1wyq s ASN 27 Cb -0.13 -0.37 0.26 0.00 -0.55 0.00 0.00 41.25 40.45 1wyq s ASN 27 CO -0.06 -0.24 1.44 0.52 -2.79 0.00 0.00 177.10 175.97 1wyq n VAL 28 N 5.18 4.80 0.08 -5.21 0.31 -1.26 -4.70 118.33 117.53 1wyq n VAL 28 Ca -0.06 -5.34 0.08 0.00 -0.01 0.00 0.00 64.34 59.01 1wyq n VAL 28 Cb 0.50 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 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 2.76 0.96 -4.14 3.52 -0.00 -1.26 -4.65 115.22 112.40 1wyq n HIS 29 Ca 0.29 0.29 -0.11 0.00 0.46 0.00 0.00 57.72 58.65 1wyq n HIS 29 Cb 0.37 -0.99 -0.08 0.00 -0.12 0.00 0.00 29.99 29.16 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1wyq s ASN 30 N -5.46 0.15 -0.26 0.26 6.03 -1.26 -5.05 114.94 109.35 1wyq s ASN 30 Ca -0.01 -1.28 0.12 0.00 -1.03 0.00 0.00 52.86 50.66 1wyq s ASN 30 Cb 0.09 0.45 0.59 0.00 -3.03 0.00 0.00 41.25 39.35 1wyq s ASN 30 CO 0.80 -0.94 1.56 0.49 -2.03 0.00 0.00 177.10 176.97 1wyq n PHE 31 N -0.32 1.46 0.02 1.54 3.72 -1.26 -4.26 117.46 118.36 1wyq n PHE 31 Ca 0.01 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.20 1wyq n PHE 31 Cb 0.65 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.62 0.16 0.15 4.37 -2.24 -1.26 -3.90 114.28 110.94 1wyq n THR 32 Ca 0.31 0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1wyq n THR 32 Cb 1.09 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.72 1.76 -0.00 4.28 -2.24 -1.26 -3.49 114.28 110.61 1wyq n THR 33 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1wyq n THR 33 Cb 0.00 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.09 4.69 -0.15 3.42 2.88 -1.26 -4.67 113.62 118.43 1wyq n SER 34 Ca 0.22 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.77 1wyq n SER 34 Cb 0.92 0.85 0.04 0.00 -0.75 0.00 0.00 64.21 65.27 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 -1.74 0.11 0.04 0.66 7.02 -1.23 -4.48 117.44 117.81 1wyq n TRP 35 Ca -0.01 -0.50 -0.13 0.00 -1.02 0.00 0.00 57.50 55.84 1wyq n TRP 35 Cb 0.23 -0.04 -0.08 0.00 -2.42 0.00 0.00 31.31 29.00 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 0.48 -0.06 0.65 -0.99 1.12 -1.82 -3.31 114.38 110.44 1wyq h ARG 36 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1wyq h ARG 36 Cb 0.56 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1wyq h ARG 36 CO 0.00 0.16 -0.31 0.22 -3.11 0.00 0.00 179.97 176.93 1wyq h ASP 37 N -0.29 -0.74 0.00 -3.80 1.82 -1.92 -3.38 116.42 108.11 1wyq h ASP 37 Ca -0.01 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1wyq h ASP 37 Cb 0.26 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1wyq h ASP 37 CO 0.01 -0.37 0.00 0.61 -1.61 0.00 0.00 179.24 177.88 1wyq n GLY 38 N -0.50 1.88 0.36 -0.78 0.00 -1.25 -4.20 105.19 100.70 1wyq n GLY 38 Ca -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.80 -0.39 0.99 4.77 -1.26 -0.49 117.00 119.82 1wyq n LEU 39 Ca 0.00 1.55 -0.09 0.00 -0.03 0.00 0.00 56.01 57.44 1wyq n LEU 39 Cb 0.00 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1wyq n LEU 39 CO 0.00 -1.31 0.46 0.00 -1.33 0.00 0.00 177.39 175.21 1wyq n ALA 40 N -3.41 -0.53 -0.17 -1.18 0.00 -1.26 0.23 120.51 114.18 1wyq n ALA 40 Ca 0.04 0.81 -0.02 0.00 0.00 0.00 0.00 53.44 54.28 1wyq n ALA 40 Cb 0.27 -0.17 0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 0.24 0.00 0.00 0.04 -1.11 0.43 116.94 116.54 1wyq h PHE 41 Ca 0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1wyq h PHE 41 Cb 0.41 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1wyq h PHE 41 CO -0.94 0.03 0.00 0.09 -0.60 0.00 0.00 178.31 176.89 1wyq n ASN 42 N -5.07 0.00 -0.12 2.17 3.02 0.14 -2.67 115.26 112.73 1wyq n ASN 42 Ca 0.07 -0.68 -0.17 0.00 -0.03 0.00 0.00 54.58 53.77 1wyq n ASN 42 Cb 0.25 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.93 1.43 -0.15 5.41 0.00 0.14 -3.55 120.51 122.85 1wyq n ALA 43 Ca 0.12 -1.12 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 1wyq n ALA 43 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 1.20 0.31 0.00 2.04 -1.14 -2.87 117.51 117.05 1wyq h ILE 44 Ca -0.56 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 1wyq h ILE 44 Cb 1.97 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1wyq h ILE 44 CO -0.06 0.22 -0.15 0.58 0.00 0.00 0.00 178.15 178.74 1wyq h VAL 45 N 0.58 0.25 -0.97 1.67 2.07 -1.78 -3.18 116.25 114.89 1wyq h VAL 45 Ca 0.15 -0.78 0.28 0.00 0.82 0.00 0.00 66.70 67.17 1wyq h VAL 45 Cb 0.16 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1wyq h VAL 45 CO -0.01 0.06 1.17 -0.74 0.02 0.00 0.00 177.57 178.07 1wyq h HIS 46 N -1.05 0.00 -0.10 1.57 6.17 -1.62 1.40 115.15 121.53 1wyq h HIS 46 Ca -0.04 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.92 1wyq h HIS 46 Cb 0.42 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1wyq h HIS 46 CO 0.02 0.00 -0.40 -0.22 0.71 0.00 0.00 177.93 178.04 1wyq h LYS 47 N 0.00 0.44 0.05 5.26 1.63 -1.48 -2.83 116.57 119.64 1wyq h LYS 47 Ca 0.46 -0.35 -0.13 0.00 -0.85 0.00 0.00 60.65 59.78 1wyq h LYS 47 Cb 2.80 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 34.49 1wyq h LYS 47 CO -0.00 0.98 -0.67 0.45 -3.45 0.00 0.00 179.45 176.75 1wyq h HIS 48 N 0.00 0.21 -3.04 1.91 -0.00 0.16 -3.42 115.15 110.98 1wyq h HIS 48 Ca -0.02 -0.15 -0.62 0.00 -0.00 0.00 0.00 60.37 59.57 1wyq h HIS 48 Cb 1.04 -0.01 -0.41 0.00 -0.00 0.00 0.00 27.41 28.04 1wyq h HIS 48 CO 0.12 1.26 -0.67 1.03 -0.00 0.00 0.00 177.93 179.66 1wyq s ARG 49 N -2.34 1.89 0.00 2.45 1.81 0.88 -4.93 118.95 118.71 1wyq s ARG 49 Ca -0.20 -2.72 0.12 0.00 -1.72 0.00 0.00 55.73 51.21 1wyq s ARG 49 Cb 0.01 -2.91 0.69 0.00 -0.45 0.00 0.00 34.95 32.29 1wyq s ARG 49 CO 0.72 -1.23 1.12 -0.35 -0.68 0.00 0.00 175.30 174.88 1wyq n PRO 50 N 2.70 0.49 -0.04 3.54 -0.04 -1.07 -2.58 135.00 138.00 1wyq n PRO 50 Ca 0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1wyq n PRO 50 Cb 0.36 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.87 1.89 -0.02 3.54 2.03 -1.26 -4.49 116.55 117.37 1wyq n ASP 51 Ca 0.09 0.12 -0.10 0.00 0.52 0.00 0.00 54.79 55.41 1wyq n ASP 51 Cb 0.04 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.78 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 0.04 -1.21 0.00 -2.67 3.38 -1.91 -3.44 115.31 109.51 1wyq h LEU 52 Ca -0.46 0.14 -0.64 0.00 0.09 0.00 0.00 57.88 57.01 1wyq h LEU 52 Cb 2.00 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 43.10 1wyq h LEU 52 CO 0.04 -0.33 -0.48 0.00 0.09 0.00 0.00 178.44 177.76 1wyq n LEU 53 N -4.54 0.00 -3.65 1.67 -0.00 -1.26 -5.12 117.00 104.10 1wyq n LEU 53 Ca -0.04 -3.17 -0.29 0.00 -0.00 0.00 0.00 56.01 52.51 1wyq n LEU 53 Cb 0.26 0.46 -0.13 0.00 -0.00 0.00 0.00 43.42 44.01 1wyq n LEU 53 CO 0.05 -0.45 -0.26 -1.81 -0.00 0.00 0.00 177.39 174.92 1wyq s ASP 54 N -3.74 3.43 0.32 1.45 1.11 -1.26 -4.80 116.67 113.18 1wyq s ASP 54 Ca 0.03 -2.59 0.09 0.00 0.18 0.00 0.00 52.55 50.26 1wyq s ASP 54 Cb 0.00 -0.89 0.86 0.00 1.07 0.00 0.00 42.92 43.97 1wyq s ASP 54 CO 0.02 -0.27 1.73 0.15 1.18 0.00 0.00 175.17 177.99 1wyq h PHE 55 N 6.69 0.99 -0.84 4.23 3.57 -1.93 0.38 116.94 130.02 1wyq h PHE 55 Ca 0.02 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1wyq h PHE 55 Cb 0.93 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1wyq h PHE 55 CO 0.47 0.06 0.55 0.93 -2.23 0.00 0.00 178.31 178.09 1wyq h GLU 56 N 0.57 0.91 -0.04 1.11 4.39 -1.98 -2.44 114.58 117.11 1wyq h GLU 56 Ca 0.63 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 60.11 1wyq h GLU 56 Cb 1.19 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1wyq h GLU 56 CO -0.48 0.60 -0.65 0.77 -1.16 0.00 0.00 179.01 178.10 1wyq h SER 57 N 0.94 0.64 -1.11 1.42 0.02 -0.73 -3.45 113.55 111.28 1wyq h SER 57 Ca 0.36 -0.71 -0.82 0.00 -0.84 0.00 0.00 61.79 59.77 1wyq h SER 57 Cb 0.21 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.58 1wyq h SER 57 CO -0.13 1.26 0.53 0.18 -1.14 0.00 0.00 176.83 177.53 1wyq n LEU 58 N -4.15 1.06 -4.87 5.07 4.77 -0.48 -4.91 117.00 113.48 1wyq n LEU 58 Ca -0.10 1.16 -0.32 0.00 -0.03 0.00 0.00 56.01 56.73 1wyq n LEU 58 Cb 0.69 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1wyq n LEU 58 CO 0.48 -1.09 0.24 -0.54 -1.33 0.00 0.00 177.39 175.15 1wyq s LYS 59 N 2.09 3.83 -0.46 3.23 -0.14 -1.26 -4.99 119.74 122.04 1wyq s LYS 59 Ca 0.99 0.32 -0.02 0.00 -1.36 0.00 0.00 55.97 55.90 1wyq s LYS 59 Cb -1.35 -2.64 0.24 0.00 -1.68 0.00 0.00 37.83 32.40 1wyq s LYS 59 CO 0.71 0.31 2.21 1.63 -0.76 0.00 0.00 175.35 179.45 1wyq n LYS 60 N -0.11 2.21 0.00 1.68 5.02 -1.26 -3.95 118.16 121.74 1wyq n LYS 60 Ca 0.00 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1wyq n LYS 60 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ASN 62 N -2.55 5.84 -0.03 0.00 3.04 -1.25 -4.93 114.94 115.06 1wyq s ASN 62 Ca 0.00 -2.64 -0.21 0.00 0.04 0.00 0.00 52.86 50.05 1wyq s ASN 62 Cb 0.00 -2.00 -0.14 0.00 -1.54 0.00 0.00 41.25 37.57 1wyq s ASN 62 CO 0.00 -0.49 0.92 0.00 -3.04 0.00 0.00 177.10 174.49 1wyq h ALA 63 N 7.53 -0.38 -0.48 1.71 0.00 -1.86 -3.08 119.26 122.70 1wyq h ALA 63 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1wyq h ALA 63 Cb 1.00 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1wyq h ALA 63 CO 0.75 -0.44 -0.28 1.58 0.00 0.00 0.00 179.25 180.86 1wyq n HIS 64 N -5.05 -0.21 -0.21 0.00 -0.00 -1.26 0.36 115.22 108.85 1wyq n HIS 64 Ca -0.08 0.60 0.02 0.00 -0.00 0.00 0.00 57.72 58.25 1wyq n HIS 64 Cb 0.26 -0.50 0.12 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 0.04 -0.34 1.57 3.20 -1.94 -0.33 116.97 119.18 1wyq h TYR 65 Ca 0.08 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1wyq h TYR 65 Cb 0.20 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1wyq h TYR 65 CO -0.82 -0.13 0.08 -0.91 -1.64 0.00 0.00 178.16 174.73 1wyq h ASN 66 N 0.16 0.04 0.06 -2.11 4.21 0.01 0.99 115.58 118.94 1wyq h ASN 66 Ca 0.34 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.89 1wyq h ASN 66 Cb 0.55 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1wyq h ASN 66 CO -0.51 0.06 -0.03 -0.07 -1.29 0.00 0.00 177.43 175.59 1wyq h LEU 67 N 0.20 -0.07 -1.06 1.61 3.38 0.93 -2.14 115.31 118.17 1wyq h LEU 67 Ca 0.16 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.45 1wyq h LEU 67 Cb 0.17 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 1wyq h LEU 67 CO -0.20 -0.05 0.60 0.06 0.09 0.00 0.00 178.44 178.94 1wyq h GLN 68 N -0.09 0.32 -0.61 1.13 3.07 -1.13 0.48 115.11 118.28 1wyq h GLN 68 Ca -0.01 -0.02 0.04 0.00 0.09 0.00 0.00 58.65 58.75 1wyq h GLN 68 Cb 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.51 1wyq h GLN 68 CO 0.01 0.21 0.36 -0.97 0.09 0.00 0.00 178.83 178.54 1wyq h ASN 69 N 0.33 0.57 -0.21 0.06 -1.24 -0.67 0.20 115.58 114.62 1wyq h ASN 69 Ca 0.73 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.66 1wyq h ASN 69 Cb 1.70 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 40.64 1wyq h ASN 69 CO -0.56 0.39 -0.22 0.00 -1.29 0.00 0.00 177.43 175.75 1wyq h ALA 70 N 1.28 0.32 -0.38 1.57 0.00 0.57 -1.23 119.26 121.40 1wyq h ALA 70 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wyq h ALA 70 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wyq h ALA 70 CO -0.12 0.26 0.22 0.74 0.00 0.00 0.00 179.25 180.35 1wyq h PHE 71 N 0.21 0.50 0.45 0.00 0.04 -0.84 -1.57 116.94 115.73 1wyq h PHE 71 Ca 0.03 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1wyq h PHE 71 Cb 0.77 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1wyq h PHE 71 CO 0.08 0.36 -0.22 -0.91 -0.60 0.00 0.00 178.31 177.03 1wyq h ASN 72 N 0.49 -0.52 -0.90 2.17 2.35 -0.63 0.23 115.58 118.78 1wyq h ASN 72 Ca 0.13 -0.08 0.22 0.00 -0.55 0.00 0.00 56.30 56.02 1wyq h ASN 72 Cb 0.01 0.13 -0.12 0.00 0.05 0.00 0.00 38.32 38.40 1wyq h ASN 72 CO -0.02 -0.20 0.40 -0.07 -1.65 0.00 0.00 177.43 175.89 1wyq h LEU 73 N -0.85 0.35 -0.15 1.61 3.38 -1.19 0.44 115.31 118.89 1wyq h LEU 73 Ca -0.06 0.15 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 1wyq h LEU 73 Cb 0.57 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1wyq h LEU 73 CO 0.10 0.01 -0.89 0.00 0.09 0.00 0.00 178.44 177.75 1wyq h ALA 74 N 1.70 0.31 0.00 1.53 0.00 -1.19 0.35 119.26 121.96 1wyq h ALA 74 Ca 0.56 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wyq h ALA 74 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wyq h ALA 74 CO -0.52 0.73 0.00 -1.91 0.00 0.00 0.00 179.25 177.55 1wyq n GLU 75 N -3.85 0.08 -0.02 0.00 0.00 0.81 -0.00 120.64 117.67 1wyq n GLU 75 Ca -0.08 0.27 -0.03 0.00 0.00 0.00 0.00 57.16 57.32 1wyq n GLU 75 Cb 0.80 -1.65 -0.01 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.80 0.18 0.00 5.31 0.00 0.13 -4.15 118.16 117.83 1wyq n LYS 76 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1wyq n LYS 76 Cb 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.54 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 -3.43 0.00 -0.10 1.64 -0.58 0.12 -3.68 120.64 114.62 1wyq n GLU 77 Ca -0.05 0.48 -0.06 0.00 -0.42 0.00 0.00 57.16 57.11 1wyq n GLU 77 Cb 0.17 -1.44 0.01 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.07 -0.14 -4.62 3.38 -1.57 -3.47 115.31 108.96 1wyq h LEU 78 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wyq h LEU 78 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wyq h LEU 78 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1wyq n GLY 79 N -1.22 0.80 3.94 0.83 0.00 1.00 -5.02 105.19 105.51 1wyq n GLY 79 Ca 0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.14 4.13 -0.39 0.99 1.43 -0.94 -4.98 118.68 118.79 1wyq s LEU 80 Ca 0.00 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 1wyq s LEU 80 Cb 0.00 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1wyq s LEU 80 CO 0.00 -0.12 0.50 -0.89 0.23 0.00 0.00 176.35 176.06 1wyq s THR 81 N -2.06 5.02 -0.51 5.49 2.01 -1.26 -4.27 115.64 120.07 1wyq s THR 81 Ca 0.36 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 1wyq s THR 81 Cb -0.09 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 1wyq s THR 81 CO 0.28 -0.34 2.39 0.29 -0.69 0.00 0.00 174.62 176.56 1wyq n LYS 82 N 5.76 1.00 0.01 4.92 5.02 -1.26 -4.78 118.16 128.84 1wyq n LYS 82 Ca -0.05 0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 1wyq n LYS 82 Cb 0.48 -2.90 -0.14 0.00 -0.02 0.00 0.00 35.03 32.46 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 16.29 0.07-10.07 -0.35 3.38 -1.98 -3.47 115.31 119.17 1wyq h LEU 83 Ca -0.24 -0.12 -0.63 0.00 0.09 0.00 0.00 57.88 56.98 1wyq h LEU 83 Cb 1.28 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 1wyq h LEU 83 CO 1.14 1.11 -0.46 -0.76 0.09 0.00 0.00 178.44 179.56 1wyq s LEU 84 N -6.39 2.58 0.16 1.67 1.43 -1.26 -5.11 118.68 111.76 1wyq s LEU 84 Ca -0.05 -1.43 0.09 0.00 -1.03 0.00 0.00 54.13 51.71 1wyq s LEU 84 Cb 0.08 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1wyq s LEU 84 CO 0.82 -0.84 -0.19 -1.81 0.23 0.00 0.00 176.35 174.56 1wyq s ASP 85 N -3.98 2.75 0.00 2.29 1.11 -1.26 -5.01 116.67 112.57 1wyq s ASP 85 Ca 0.22 -0.84 0.16 0.00 0.18 0.00 0.00 52.55 52.26 1wyq s ASP 85 Cb 0.02 -0.17 0.92 0.00 1.07 0.00 0.00 42.92 44.76 1wyq s ASP 85 CO 0.12 -0.00 1.35 -0.81 1.18 0.00 0.00 175.17 177.01 1wyq n PRO 86 N 0.39 0.48 -0.09 8.23 -0.04 -1.26 -2.42 135.00 140.30 1wyq n PRO 86 Ca -0.14 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1wyq n PRO 86 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.01 0.43 -0.04 0.54 -0.58 -1.26 -4.11 120.64 114.61 1wyq n GLU 87 Ca 0.12 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.84 1wyq n GLU 87 Cb 0.06 -1.33 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wyq h ASP 88 N -0.05 0.26 -0.21 1.62 3.32 -1.94 -3.24 116.42 116.18 1wyq h ASP 88 Ca -0.39 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.25 1wyq h ASP 88 Cb 1.58 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 1wyq h ASP 88 CO -0.08 0.60 0.11 0.58 -1.72 0.00 0.00 179.24 178.73 1wyq h VAL 89 N -0.09 1.12 -1.23 -1.35 2.07 -1.74 -3.39 116.25 111.64 1wyq h VAL 89 Ca 0.03 -0.35 -0.33 0.00 0.82 0.00 0.00 66.70 66.87 1wyq h VAL 89 Cb 0.50 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1wyq h VAL 89 CO 0.02 0.12 1.01 0.21 0.02 0.00 0.00 177.57 178.95 1wyq s ASN 90 N -5.53 4.60 0.11 0.57 2.47 -1.22 -4.57 114.94 111.37 1wyq s ASN 90 Ca -0.13 0.36 -0.26 0.00 0.42 0.00 0.00 52.86 53.25 1wyq s ASN 90 Cb 0.08 -2.53 0.07 0.00 -1.45 0.00 0.00 41.25 37.42 1wyq s ASN 90 CO 0.70 -3.00 0.84 0.54 -3.72 0.00 0.00 177.10 172.46 1wyq s VAL 91 N 11.80 0.00 0.13 -5.21 0.11 -1.26 -4.89 120.40 121.09 1wyq s VAL 91 Ca 0.85 -0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 59.30 1wyq s VAL 91 Cb -0.13 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1wyq s VAL 91 CO 0.16 0.00 1.62 0.44 -3.33 0.00 0.00 175.10 173.99 1wyq h ASP 92 N 2.00 -0.89 -2.76 3.54 3.32 -1.96 -3.36 116.42 116.31 1wyq h ASP 92 Ca -0.24 0.13 -0.60 0.00 0.02 0.00 0.00 57.03 56.33 1wyq h ASP 92 Cb 1.25 0.37 -0.39 0.00 0.22 0.00 0.00 39.33 40.78 1wyq h ASP 92 CO 0.29 -0.35 -0.84 0.00 -1.72 0.00 0.00 179.24 176.63 1wyq s GLN 93 N -6.03 1.15 1.20 3.56 -2.07 -1.26 -4.75 119.66 111.46 1wyq s GLN 93 Ca -0.15 -2.12 -0.19 0.00 -1.82 0.00 0.00 55.36 51.08 1wyq s GLN 93 Cb 0.10 -1.89 0.29 0.00 -1.09 0.00 0.00 33.01 30.41 1wyq s GLN 93 CO 0.66 -1.29 1.11 -1.25 -1.32 0.00 0.00 175.29 173.20 1wyq s PRO 94 N 0.10 -1.23 -0.69 9.60 0.04 -1.26 -4.96 135.00 136.60 1wyq s PRO 94 Ca 0.25 -0.07 -0.22 0.00 0.04 0.00 0.00 61.00 61.00 1wyq s PRO 94 Cb -0.09 -1.60 0.07 0.00 0.04 0.00 0.00 34.50 32.93 1wyq s PRO 94 CO -0.11 -3.72 1.00 -0.51 0.04 0.00 0.00 177.00 173.70 1wyq s ASP 95 N -3.90 6.22 0.44 6.66 1.11 -1.26 -4.87 116.67 121.07 1wyq s ASP 95 Ca 0.71 -1.08 0.17 0.00 0.18 0.00 0.00 52.55 52.53 1wyq s ASP 95 Cb -0.10 -2.42 1.10 0.00 1.07 0.00 0.00 42.92 42.57 1wyq s ASP 95 CO 0.56 -1.42 1.91 1.05 1.18 0.00 0.00 175.17 178.45 1wyq h GLU 96 N 9.52 0.36 -0.38 8.23 4.11 -1.93 -0.04 114.58 134.44 1wyq h GLU 96 Ca -0.24 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.04 1wyq h GLU 96 Cb 1.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1wyq h GLU 96 CO 1.18 0.24 -0.25 0.87 0.07 0.00 0.00 179.01 181.12 1wyq h LYS 97 N 0.37 0.85 0.00 1.06 6.56 -1.90 0.20 116.57 123.71 1wyq h LYS 97 Ca 0.38 -0.40 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1wyq h LYS 97 Cb 0.95 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1wyq h LYS 97 CO -0.12 1.04 0.00 1.03 -2.06 0.00 0.00 179.45 179.34 1wyq h SER 98 N 0.65 0.00 0.00 0.86 0.87 -1.45 -3.23 113.55 111.26 1wyq h SER 98 Ca 0.08 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.40 1wyq h SER 98 Cb 0.83 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 1wyq h SER 98 CO 0.07 0.00 -1.55 -0.38 -0.53 0.00 0.00 176.83 174.44 1wyq n ILE 99 N -2.33 1.51 -0.57 2.23 5.41 -0.54 -4.22 119.36 120.85 1wyq n ILE 99 Ca 0.03 -0.08 0.47 0.00 1.00 0.00 0.00 62.75 64.16 1wyq n ILE 99 Cb 0.28 -2.10 0.80 0.00 -0.71 0.00 0.00 39.64 37.91 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 -1.00 0.16 -0.26 1.39 2.04 -0.67 0.81 117.51 119.98 1wyq h ILE 100 Ca -0.36 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1wyq h ILE 100 Cb 1.23 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1wyq h ILE 100 CO -0.22 0.00 -0.17 0.74 0.00 0.00 0.00 178.15 178.51 1wyq h THR 101 N 0.00 1.31 0.69 -0.27 2.02 -1.74 -2.32 112.91 112.59 1wyq h THR 101 Ca 0.80 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1wyq h THR 101 Cb 3.22 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 71.21 1wyq h THR 101 CO -0.01 0.40 -0.33 0.22 0.37 0.00 0.00 175.52 176.17 1wyq h TYR 102 N 0.29 -0.86 -0.99 3.16 5.03 0.45 -3.06 116.97 120.99 1wyq h TYR 102 Ca 0.05 -0.02 0.28 0.00 2.58 0.00 0.00 58.73 61.62 1wyq h TYR 102 Cb 0.69 0.28 -0.05 0.00 1.55 0.00 0.00 36.73 39.21 1wyq h TYR 102 CO 0.07 -0.53 0.70 -0.24 -1.32 0.00 0.00 178.16 176.84 1wyq h VAL 103 N -1.25 0.52 -0.97 1.81 3.04 -1.49 0.12 116.25 118.03 1wyq h VAL 103 Ca -0.09 -0.02 0.18 0.00 -1.01 0.00 0.00 66.70 65.75 1wyq h VAL 103 Cb 0.71 0.45 -0.09 0.00 -2.01 0.00 0.00 31.29 30.35 1wyq h VAL 103 CO 0.16 0.01 0.61 0.00 -1.01 0.00 0.00 177.57 177.34 1wyq h ALA 104 N 1.52 1.79 -0.45 3.17 0.00 -1.30 -0.87 119.26 123.13 1wyq h ALA 104 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1wyq h ALA 104 Cb 1.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1wyq h ALA 104 CO -0.04 -0.11 0.29 1.79 0.00 0.00 0.00 179.25 181.17 1wyq h THR 105 N 0.71 1.13 -0.96 0.00 1.35 -0.84 -1.10 112.91 113.21 1wyq h THR 105 Ca 0.53 -0.26 0.22 0.00 -0.55 0.00 0.00 66.41 66.34 1wyq h THR 105 Cb 0.88 0.49 -0.08 0.00 -1.73 0.00 0.00 68.15 67.71 1wyq h THR 105 CO -0.29 0.13 0.62 1.88 -0.25 0.00 0.00 175.52 177.60 1wyq h TYR 106 N 0.60 0.67 0.07 4.73 -1.99 -1.26 0.46 116.97 120.25 1wyq h TYR 106 Ca 0.16 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1wyq h TYR 106 Cb -0.04 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.49 1wyq h TYR 106 CO -0.04 0.15 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.31 1wyq h TYR 107 N 0.47 -0.09 0.29 4.88 3.20 -1.33 -3.23 116.97 121.17 1wyq h TYR 107 Ca 0.52 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.39 1wyq h TYR 107 Cb 1.20 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1wyq h TYR 107 CO -0.00 0.02 -0.48 0.45 -1.64 0.00 0.00 178.16 176.50 1wyq h HIS 108 N -1.02 -1.36 0.00 -3.82 3.86 -0.87 0.11 115.15 112.05 1wyq h HIS 108 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1wyq h HIS 108 Cb 0.15 0.56 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1wyq h HIS 108 CO 0.02 -0.60 0.00 0.98 0.86 0.00 0.00 177.93 179.19 1wyq n TYR 109 N -5.51 0.00 -0.35 2.45 9.36 0.16 -0.09 117.16 123.18 1wyq n TYR 109 Ca -0.10 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.29 1wyq n TYR 109 Cb 0.42 -0.36 0.37 0.00 -0.63 0.00 0.00 39.34 39.14 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 1.02 -0.75 2.98 0.04 -1.56 0.13 116.94 118.80 1wyq h PHE 110 Ca 0.00 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1wyq h PHE 110 Cb 0.00 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 37.80 1wyq h PHE 110 CO -0.63 0.10 0.45 1.03 -0.60 0.00 0.00 178.31 178.66 1wyq h SER 111 N 0.62 0.69 -0.72 2.17 0.87 0.18 -2.61 113.55 114.75 1wyq h SER 111 Ca 0.63 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 61.34 1wyq h SER 111 Cb 1.14 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 62.85 1wyq h SER 111 CO -0.46 0.44 -0.31 0.11 -0.53 0.00 0.00 176.83 176.09 1wyq h LYS 112 N 0.82 -0.09 -6.30 2.24 1.57 0.24 -3.37 116.57 111.68 1wyq h LYS 112 Ca 0.33 0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.76 1wyq h LYS 112 Cb 0.17 0.02 0.19 0.00 0.08 0.00 0.00 32.23 32.69 1wyq h LYS 112 CO -0.17 -0.06 -0.93 -1.33 -0.57 0.00 0.00 179.45 176.39 1wyq n MET 113 N -5.46 -1.71 -1.16 3.15 2.81 -0.99 -4.41 117.12 109.36 1wyq n MET 113 Ca 0.07 -0.50 -0.30 0.00 -1.81 0.00 0.00 57.70 55.16 1wyq n MET 113 Cb 0.37 -1.51 -0.12 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.36 0.00 -3.29 0.03 5.02 -1.26 -4.79 118.16 112.51 1wyq n LYS 114 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1wyq n LYS 114 Cb 0.52 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.38 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 6.15 -3.01 0.58 7.82 0.00 -1.26 -5.05 121.76 126.98 1wyq s ALA 115 Ca 1.05 1.86 -0.18 0.00 0.00 0.00 0.00 51.96 54.68 1wyq s ALA 115 Cb -0.94 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wyq s ALA 115 CO 0.39 -1.05 1.13 -0.48 0.00 0.00 0.00 175.76 175.74 1wyq s LEU 116 N 2.43 3.65 0.11 0.00 0.05 -1.26 -4.90 118.68 118.76 1wyq s LEU 116 Ca -0.01 2.14 -0.25 0.00 0.05 0.00 0.00 54.13 56.06 1wyq s LEU 116 Cb -0.05 -4.57 0.08 0.00 -2.05 0.00 0.00 46.19 39.60 1wyq s LEU 116 CO -0.16 -1.35 1.13 0.00 -0.55 0.00 0.00 176.35 175.42 1wyq s ALA 117 N -1.91 -1.91 -0.83 1.48 0.00 -1.26 -5.07 121.76 112.25 1wyq s ALA 117 Ca 0.71 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 1wyq s ALA 117 Cb -0.23 0.80 -0.12 0.00 0.00 0.00 0.00 23.12 23.57 1wyq s ALA 117 CO 0.31 -1.09 2.27 0.14 0.00 0.00 0.00 175.76 177.39 1wyq s VAL 118 N -2.13 3.13 0.35 0.00 -7.23 -1.26 -4.89 120.40 108.38 1wyq s VAL 118 Ca 0.24 -0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.16 1wyq s VAL 118 Cb -0.02 -3.32 -0.11 0.00 0.56 0.00 0.00 36.38 33.49 1wyq s VAL 118 CO 0.03 -0.28 -0.06 -0.62 -0.31 0.00 0.00 175.10 173.86 1wyq n GLU 119 N 8.81 0.00 0.00 4.82 -0.58 -1.26 -4.93 120.64 127.50 1wyq n GLU 119 Ca 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1wyq n GLU 119 Cb 0.44 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1wyq n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wyq n GLY 120 N 1.82 2.79 3.55 0.62 0.00 -1.26 -5.19 105.19 107.52 1wyq n GLY 120 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 3.09 0.73 -0.30 1.61 2.20 -1.26 -5.17 119.74 120.64 1wyq s LYS 121 Ca 0.00 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.47 1wyq s LYS 121 Cb 0.00 0.34 0.18 0.00 -1.51 0.00 0.00 37.83 36.84 1wyq s LYS 121 CO 0.00 -0.26 1.14 -1.54 -0.36 0.00 0.00 175.35 174.33 1wyq s SER 122 N -1.54 -0.28 -0.46 1.43 1.04 -1.26 -5.10 113.70 107.53 1wyq s SER 122 Ca -0.01 0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1wyq s SER 122 Cb -0.01 1.20 0.24 0.00 0.10 0.00 0.00 66.02 67.56 1wyq s SER 122 CO -0.01 -0.06 0.57 0.61 0.98 0.00 0.00 173.24 175.33 1wyq n GLY 123 N 3.88 3.36 2.01 7.32 0.00 -1.26 -5.12 105.19 115.38 1wyq n GLY 123 Ca -0.14 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 1wyq n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyq n PRO 124 N 1.34 -2.25 -3.87 1.61 -0.04 -1.26 -5.10 135.00 125.44 1wyq n PRO 124 Ca 0.24 -1.00 -0.09 0.00 -0.04 0.00 0.00 63.50 62.61 1wyq n PRO 124 Cb 0.49 -0.94 -0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1wyq n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wyq s SER 125 N -3.20 0.00 -0.24 3.54 1.04 -1.26 -5.19 113.70 108.40 1wyq s SER 125 Ca 0.41 -0.99 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1wyq s SER 125 Cb -0.04 0.77 0.14 0.00 0.10 0.00 0.00 66.02 67.00 1wyq s SER 125 CO 0.31 -1.50 1.13 -0.94 0.98 0.00 0.00 173.24 173.22 1wyq s SER 126 N -3.03 -0.30 0.00 7.02 1.04 -1.26 -5.35 113.70 111.81 1wyq s SER 126 Ca 0.16 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1wyq s SER 126 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1wyq s SER 126 CO 0.11 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.75