#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 7.08 -0.12 1.61 0.15 -1.26 -5.03 113.70 116.13 1wyq s SER 2 Ca 0.00 1.91 0.02 0.00 0.70 0.00 0.00 55.95 58.58 1wyq s SER 2 Cb 0.00 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1wyq s SER 2 CO 0.00 -0.52 -0.19 -0.44 1.20 0.00 0.00 173.24 173.29 1wyq s SER 3 N 1.28 2.79 -0.01 5.45 0.01 -1.26 -4.95 113.70 117.01 1wyq s SER 3 Ca 0.57 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 1wyq s SER 3 Cb -0.27 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1wyq s SER 3 CO 0.26 0.06 0.02 0.61 0.41 0.00 0.00 173.24 174.59 1wyq n GLY 4 N 4.05 -3.09 3.52 3.44 0.00 -1.26 -5.08 105.19 106.77 1wyq n GLY 4 Ca -0.20 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.04 4.03 -0.17 1.61 0.01 -1.26 -5.06 113.70 112.82 1wyq s SER 5 Ca -0.02 -0.53 -0.41 0.00 1.31 0.00 0.00 55.95 56.31 1wyq s SER 5 Cb 0.00 -0.62 -0.18 0.00 0.21 0.00 0.00 66.02 65.43 1wyq s SER 5 CO 0.05 0.17 1.45 -1.54 0.41 0.00 0.00 173.24 173.78 1wyq n SER 6 N 0.70 1.40 -2.84 2.44 3.41 -1.26 -4.90 113.62 112.57 1wyq n SER 6 Ca -0.15 1.13 -0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1wyq n SER 6 Cb 0.53 -1.05 0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 7 N 3.10 0.60 0.31 5.00 0.00 -1.26 -5.03 105.19 107.91 1wyq n GLY 7 Ca 0.24 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq h ALA 8 N 4.02 -0.97 -0.89 4.61 0.00 -1.99 0.90 119.26 124.95 1wyq h ALA 8 Ca -0.10 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.86 1wyq h ALA 8 Cb 1.00 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 19.21 1wyq h ALA 8 CO 0.35 -1.00 -0.31 -0.22 0.00 0.00 0.00 179.25 178.07 1wyq h LYS 9 N -0.59 -0.03 -0.13 0.00 3.64 -2.00 0.19 116.57 117.64 1wyq h LYS 9 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1wyq h LYS 9 Cb 0.52 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1wyq h LYS 9 CO -0.06 -0.02 0.02 -0.44 -2.27 0.00 0.00 179.45 176.67 1wyq h ASP 10 N -0.03 -0.01 -0.95 4.20 3.32 -1.92 -2.07 116.42 118.97 1wyq h ASP 10 Ca 0.36 0.02 0.27 0.00 0.02 0.00 0.00 57.03 57.71 1wyq h ASP 10 Cb 0.62 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.06 1wyq h ASP 10 CO -0.91 0.02 0.43 0.00 -1.72 0.00 0.00 179.24 177.06 1wyq h ALA 11 N 1.10 1.65 0.47 3.45 0.00 0.19 -1.55 119.26 124.56 1wyq h ALA 11 Ca 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1wyq h ALA 11 Cb 0.06 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wyq h ALA 11 CO -0.09 -0.48 -0.23 1.25 0.00 0.00 0.00 179.25 179.71 1wyq h LEU 12 N 0.31 -0.53 -0.97 0.00 5.85 -0.82 -2.89 115.31 116.27 1wyq h LEU 12 Ca 0.65 -0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.69 1wyq h LEU 12 Cb 1.37 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 42.36 1wyq h LEU 12 CO -0.61 -0.11 0.34 -0.11 -0.34 0.00 0.00 178.44 177.61 1wyq n LEU 13 N -5.20 0.18 -0.07 2.25 7.94 -0.68 0.11 117.00 121.52 1wyq n LEU 13 Ca -0.09 1.62 -0.11 0.00 -1.11 0.00 0.00 56.01 56.32 1wyq n LEU 13 Cb 0.27 -0.72 -0.04 0.00 0.53 0.00 0.00 43.42 43.46 1wyq n LEU 13 CO 0.22 -1.75 0.80 0.25 -1.11 0.00 0.00 177.39 175.80 1wyq h LEU 14 N 0.00 0.36 -0.18 -1.96 5.85 -1.33 -2.23 115.31 115.82 1wyq h LEU 14 Ca 0.74 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 59.22 1wyq h LEU 14 Cb 1.83 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.71 1wyq h LEU 14 CO -0.80 0.53 -0.40 -0.25 -0.34 0.00 0.00 178.44 177.17 1wyq h TRP 15 N 0.18 -1.22 -0.81 1.25 7.01 0.10 0.27 115.95 122.74 1wyq h TRP 15 Ca 0.07 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.22 1wyq h TRP 15 Cb 0.32 0.56 -0.06 0.00 -2.10 0.00 0.00 29.16 27.88 1wyq h TRP 15 CO 0.02 -0.39 0.53 0.00 -2.79 0.00 0.00 178.44 175.81 1wyq h GLN 17 N 0.75 0.65 0.01 0.00 4.20 -0.42 0.21 115.11 120.51 1wyq h GLN 17 Ca 0.37 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1wyq h GLN 17 Cb 0.45 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wyq h GLN 17 CO -0.15 0.53 -0.01 0.52 -0.67 0.00 0.00 178.83 179.06 1wyq h MET 18 N 0.60 -0.02 0.91 1.46 2.86 0.44 -0.93 114.93 120.25 1wyq h MET 18 Ca 0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1wyq h MET 18 Cb 0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.75 1wyq h MET 18 CO -0.02 0.20 -0.44 0.87 1.06 0.00 0.00 176.91 178.58 1wyq h LYS 19 N -0.24 -1.17 -0.88 1.72 1.79 -1.21 -2.81 116.57 113.78 1wyq h LYS 19 Ca -0.00 0.08 0.23 0.00 -2.18 0.00 0.00 60.65 58.78 1wyq h LYS 19 Cb 0.23 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 31.09 1wyq h LYS 19 CO 0.00 -0.78 0.61 1.79 -1.08 0.00 0.00 179.45 179.99 1wyq h THR 20 N -1.29 0.61 -0.99 -0.16 1.35 -0.66 -1.79 112.91 109.97 1wyq h THR 20 Ca -0.12 -0.05 0.28 0.00 -0.55 0.00 0.00 66.41 65.96 1wyq h THR 20 Cb 0.93 0.43 -0.19 0.00 -1.73 0.00 0.00 68.15 67.60 1wyq h THR 20 CO 0.20 0.03 0.03 0.00 -0.25 0.00 0.00 175.52 175.53 1wyq n ALA 21 N -2.63 0.51 -0.29 6.62 0.00 -0.36 0.06 120.51 124.43 1wyq n ALA 21 Ca 0.19 1.06 0.22 0.00 0.00 0.00 0.00 53.44 54.91 1wyq n ALA 21 Cb 0.84 -0.78 0.41 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.50 -0.87 3.82 0.00 0.00 -0.67 -4.15 105.19 101.82 1wyq n GLY 22 Ca 0.24 0.77 -0.37 0.00 0.00 0.00 0.00 46.02 46.66 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 -5.53 3.55 -0.02 1.61 1.51 0.11 -5.02 117.35 113.56 1wyq s TYR 23 Ca -0.09 0.55 -0.26 0.00 -1.01 0.00 0.00 57.07 56.26 1wyq s TYR 23 Cb 0.28 -2.08 -0.20 0.00 -0.11 0.00 0.00 41.96 39.85 1wyq s TYR 23 CO 0.68 0.56 1.27 -1.00 -1.11 0.00 0.00 175.55 175.95 1wyq h PRO 24 N 5.56 0.03 -0.48 -1.71 0.13 -1.82 -3.27 132.00 130.42 1wyq h PRO 24 Ca -0.50 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1wyq h PRO 24 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1wyq h PRO 24 CO 0.65 0.51 0.29 -2.95 -0.23 0.00 0.00 178.00 176.26 1wyq h ASN 25 N -0.45 0.46 -3.56 1.44 7.08 -1.94 -3.42 115.58 115.19 1wyq h ASN 25 Ca 0.00 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.70 1wyq h ASN 25 Cb 0.50 -0.09 0.05 0.00 -2.08 0.00 0.00 38.32 36.70 1wyq h ASN 25 CO 0.00 0.33 0.67 -0.69 -2.08 0.00 0.00 177.43 175.66 1wyq s VAL 26 N -6.14 2.91 -0.23 6.14 1.01 -1.24 -5.02 120.40 117.83 1wyq s VAL 26 Ca -0.13 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 1wyq s VAL 26 Cb 0.12 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 33.06 1wyq s VAL 26 CO 0.73 0.15 0.56 0.21 0.00 0.00 0.00 175.10 176.76 1wyq s ASN 27 N 0.02 -0.74 -0.76 3.32 2.47 -1.26 -4.70 114.94 113.30 1wyq s ASN 27 Ca 0.54 1.23 0.01 0.00 0.42 0.00 0.00 52.86 55.06 1wyq s ASN 27 Cb -0.39 1.11 0.19 0.00 -1.45 0.00 0.00 41.25 40.71 1wyq s ASN 27 CO 0.44 -0.22 0.58 -0.69 -3.72 0.00 0.00 177.10 173.50 1wyq s VAL 28 N 1.44 3.57 -0.13 -5.21 1.01 -1.26 -4.85 120.40 114.96 1wyq s VAL 28 Ca -0.09 -3.87 0.05 0.00 0.00 0.00 0.00 61.98 58.07 1wyq s VAL 28 Cb -0.06 -3.29 -0.23 0.00 0.00 0.00 0.00 36.38 32.80 1wyq s VAL 28 CO -0.15 -1.00 0.30 1.57 0.00 0.00 0.00 175.10 175.81 1wyq n HIS 29 N 2.40 0.73 -4.26 5.22 -0.00 -1.26 -4.59 115.22 113.46 1wyq n HIS 29 Ca 0.18 0.20 -0.14 0.00 0.46 0.00 0.00 57.72 58.42 1wyq n HIS 29 Cb 0.36 -1.11 -0.10 0.00 -0.12 0.00 0.00 29.99 29.01 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 -6.36 1.00 -0.45 0.26 6.03 -1.26 -5.05 114.94 109.10 1wyq s ASN 30 Ca -0.17 -1.29 0.04 0.00 -1.03 0.00 0.00 52.86 50.41 1wyq s ASN 30 Cb 0.07 0.18 0.64 0.00 -3.03 0.00 0.00 41.25 39.12 1wyq s ASN 30 CO 0.77 -0.69 1.89 0.49 -2.03 0.00 0.00 177.10 177.54 1wyq n PHE 31 N -0.33 2.95 0.00 1.54 3.72 -1.26 -4.13 117.46 119.95 1wyq n PHE 31 Ca -0.03 -1.92 0.00 0.00 -0.05 0.00 0.00 57.45 55.45 1wyq n PHE 31 Cb 0.65 -0.95 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1wyq n PHE 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wyq n THR 32 N -1.13 0.00 -0.17 4.37 -2.24 -1.26 -3.88 114.28 109.97 1wyq n THR 32 Ca 0.58 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.27 1wyq n THR 32 Cb 1.56 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.28 2.08 0.00 4.28 -2.24 -1.26 -3.59 114.28 111.27 1wyq n THR 33 Ca 0.00 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1wyq n THR 33 Cb 0.00 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 0.22 4.83 -0.58 3.42 2.88 -1.26 -4.70 113.62 118.42 1wyq n SER 34 Ca 0.21 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.81 1wyq n SER 34 Cb 0.77 0.45 0.12 0.00 -0.75 0.00 0.00 64.21 64.81 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 -2.01 0.34 -0.03 0.66 7.02 -1.24 -4.36 117.44 117.82 1wyq n TRP 35 Ca 0.00 -0.37 -0.11 0.00 -1.02 0.00 0.00 57.50 56.00 1wyq n TRP 35 Cb 0.49 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.31 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 2.05 0.21 0.62 -0.99 2.43 -1.84 -3.28 114.38 113.58 1wyq h ARG 36 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1wyq h ARG 36 Cb 0.66 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1wyq h ARG 36 CO 0.00 0.24 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.96 1wyq h ASP 37 N 0.13 -0.70 0.00 -3.80 3.32 -1.92 -3.38 116.42 110.06 1wyq h ASP 37 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1wyq h ASP 37 Cb 0.09 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1wyq h ASP 37 CO -0.01 -0.31 0.00 0.61 -1.72 0.00 0.00 179.24 177.81 1wyq n GLY 38 N -0.34 4.23 0.29 2.75 0.00 -1.24 -4.09 105.19 106.79 1wyq n GLY 38 Ca -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.51 -0.37 0.99 4.77 -1.26 -0.07 117.00 120.55 1wyq n LEU 39 Ca 0.00 1.29 -0.09 0.00 -0.03 0.00 0.00 56.01 57.17 1wyq n LEU 39 Cb 0.00 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1wyq n LEU 39 CO 0.00 -1.14 0.43 0.00 -1.33 0.00 0.00 177.39 175.35 1wyq n ALA 40 N -3.60 -0.55 -0.20 -1.18 0.00 -1.26 0.10 120.51 113.83 1wyq n ALA 40 Ca 0.07 0.76 -0.00 0.00 0.00 0.00 0.00 53.44 54.27 1wyq n ALA 40 Cb 0.28 -0.14 0.22 0.00 0.00 0.00 0.00 19.45 19.82 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 0.94 0.00 0.00 0.04 -0.82 0.00 116.94 117.10 1wyq h PHE 41 Ca 0.15 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1wyq h PHE 41 Cb 0.37 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1wyq h PHE 41 CO -0.91 0.64 0.00 0.09 -0.60 0.00 0.00 178.31 177.53 1wyq n ASN 42 N -4.38 0.00 -0.10 2.17 3.02 0.29 -3.26 115.26 112.99 1wyq n ASN 42 Ca 0.07 -1.30 -0.14 0.00 -0.03 0.00 0.00 54.58 53.18 1wyq n ASN 42 Cb 0.08 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.77 1.56 -0.08 5.41 0.00 0.14 -4.05 120.51 122.71 1wyq n ALA 43 Ca 0.12 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.59 1wyq n ALA 43 Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 1.06 0.45 0.00 2.04 -1.44 -2.59 117.51 117.03 1wyq h ILE 44 Ca -0.46 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1wyq h ILE 44 Cb 1.72 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1wyq h ILE 44 CO -0.07 0.07 -0.22 0.58 0.00 0.00 0.00 178.15 178.51 1wyq h VAL 45 N 0.37 0.00 -0.78 1.67 2.07 -1.81 -3.03 116.25 114.74 1wyq h VAL 45 Ca 0.11 -0.14 0.21 0.00 0.82 0.00 0.00 66.70 67.70 1wyq h VAL 45 Cb -0.03 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.59 1wyq h VAL 45 CO -0.03 0.00 -0.01 1.57 0.02 0.00 0.00 177.57 179.12 1wyq n HIS 46 N -4.01 0.47 -0.11 1.57 -0.00 -1.23 0.17 115.22 112.08 1wyq n HIS 46 Ca -0.08 0.95 -0.05 0.00 -0.00 0.00 0.00 57.72 58.54 1wyq n HIS 46 Cb 0.24 -1.07 0.03 0.00 -0.00 0.00 0.00 29.99 29.18 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 0.22 0.21 1.57 1.63 -1.44 -1.42 116.57 117.34 1wyq h LYS 47 Ca 0.46 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.24 1wyq h LYS 47 Cb 0.93 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1wyq h LYS 47 CO -0.75 0.14 -0.10 0.45 -3.45 0.00 0.00 179.45 175.75 1wyq h HIS 48 N 0.22 -0.26 -3.41 1.91 3.86 0.19 -3.41 115.15 114.24 1wyq h HIS 48 Ca 0.18 -0.01 -0.65 0.00 -1.16 0.00 0.00 60.37 58.74 1wyq h HIS 48 Cb 0.20 0.09 -0.40 0.00 1.06 0.00 0.00 27.41 28.35 1wyq h HIS 48 CO -0.18 0.08 -0.61 1.03 0.86 0.00 0.00 177.93 179.11 1wyq s ARG 49 N -3.22 2.01 0.00 2.45 1.81 0.14 -4.93 118.95 117.21 1wyq s ARG 49 Ca -0.11 -2.58 0.10 0.00 -1.72 0.00 0.00 55.73 51.42 1wyq s ARG 49 Cb 0.00 -3.36 0.57 0.00 -0.45 0.00 0.00 34.95 31.72 1wyq s ARG 49 CO 0.38 -1.11 1.02 -0.35 -0.68 0.00 0.00 175.30 174.56 1wyq n PRO 50 N 3.20 0.49 -0.09 3.54 -0.04 -0.54 -2.88 135.00 138.68 1wyq n PRO 50 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1wyq n PRO 50 Cb 0.33 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.81 1.94 -0.21 3.54 8.00 -1.26 -4.51 116.55 123.25 1wyq n ASP 51 Ca 0.07 0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.81 1wyq n ASP 51 Cb 0.03 -0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.70 -1.37 0.00 0.64 3.38 -1.92 -3.44 115.31 111.89 1wyq h LEU 52 Ca -0.45 0.20 -0.64 0.00 0.09 0.00 0.00 57.88 57.08 1wyq h LEU 52 Cb 1.56 0.59 -0.13 0.00 0.09 0.00 0.00 40.66 42.78 1wyq h LEU 52 CO -0.18 -0.20 -0.49 0.00 0.09 0.00 0.00 178.44 177.66 1wyq n LEU 53 N -4.50 0.00 -0.07 1.67 -0.00 -1.26 -5.08 117.00 107.76 1wyq n LEU 53 Ca -0.00 -3.27 -0.10 0.00 -0.00 0.00 0.00 56.01 52.63 1wyq n LEU 53 Cb 0.19 0.68 -0.06 0.00 -0.00 0.00 0.00 43.42 44.24 1wyq n LEU 53 CO -0.06 -0.48 -0.96 -0.67 -0.00 0.00 0.00 177.39 175.22 1wyq n ASP 54 N -1.40 2.70 -1.59 1.45 -0.08 -1.26 -4.76 116.55 111.61 1wyq n ASP 54 Ca -0.15 -0.04 -0.14 0.00 -1.51 0.00 0.00 54.79 52.95 1wyq n ASP 54 Cb 0.65 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.86 1wyq n ASP 54 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1wyq n PHE 55 N -3.00 -0.63 0.00 -0.67 7.35 -1.26 -4.85 117.46 114.40 1wyq n PHE 55 Ca -0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 1wyq n PHE 55 Cb 0.75 -3.00 0.00 0.00 0.35 0.00 0.00 39.48 37.58 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 -2.39 3.03 0.05 -4.13 0.28 -1.26 -4.78 120.64 111.44 1wyq n GLU 56 Ca -0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.66 1wyq n GLU 56 Cb 0.62 -0.89 -0.14 0.00 1.43 0.00 0.00 31.44 32.45 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 0.40 -0.93 -1.84 0.02 -2.03 -3.47 113.55 105.70 1wyq h SER 57 Ca 0.00 -0.61 -0.67 0.00 -0.84 0.00 0.00 61.79 59.67 1wyq h SER 57 Cb 0.78 -0.13 0.08 0.00 0.14 0.00 0.00 62.40 63.27 1wyq h SER 57 CO 0.00 1.52 -0.26 0.18 -1.14 0.00 0.00 176.83 177.13 1wyq n LEU 58 N -3.45 -0.68 -4.35 5.07 4.77 -1.26 -4.92 117.00 112.18 1wyq n LEU 58 Ca -0.20 1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 56.49 1wyq n LEU 58 Cb 1.05 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1wyq n LEU 58 CO 0.49 -2.36 -0.33 -0.54 -1.33 0.00 0.00 177.39 173.32 1wyq s LYS 59 N -0.54 3.38 0.30 3.23 1.02 -1.26 -4.99 119.74 120.88 1wyq s LYS 59 Ca 0.70 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 56.09 1wyq s LYS 59 Cb -1.00 -3.18 0.79 0.00 -0.52 0.00 0.00 37.83 33.92 1wyq s LYS 59 CO 0.53 -0.26 1.62 0.87 -0.92 0.00 0.00 175.35 177.19 1wyq h LYS 60 N 8.17 0.14 -0.76 1.68 1.57 -2.01 -1.37 116.57 124.00 1wyq h LYS 60 Ca -0.38 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1wyq h LYS 60 Cb 1.16 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 1wyq h LYS 60 CO 0.59 0.10 -0.45 0.00 -0.57 0.00 0.00 179.45 179.12 1wyq s ASN 62 N -5.26 7.08 -0.14 0.00 4.22 -0.52 -4.94 114.94 115.37 1wyq s ASN 62 Ca -0.09 1.30 -0.04 0.00 -2.14 0.00 0.00 52.86 51.89 1wyq s ASN 62 Cb 0.08 -2.45 -0.07 0.00 1.28 0.00 0.00 41.25 40.09 1wyq s ASN 62 CO 0.47 -0.16 -0.16 0.00 -2.04 0.00 0.00 177.10 175.21 1wyq n ALA 63 N 3.87 1.92 -0.26 3.54 0.00 -1.26 -4.37 120.51 123.96 1wyq n ALA 63 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.86 1wyq n ALA 63 Cb 0.51 0.26 0.05 0.00 0.00 0.00 0.00 19.45 20.28 1wyq n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyq h HIS 64 N -0.31 -0.72 0.41 0.00 -0.00 -1.82 0.20 115.15 112.92 1wyq h HIS 64 Ca -0.34 0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 1wyq h HIS 64 Cb 1.38 0.43 -0.01 0.00 -0.00 0.00 0.00 27.41 29.21 1wyq h HIS 64 CO -0.02 -0.36 -0.25 -0.92 -0.00 0.00 0.00 177.93 176.37 1wyq h TYR 65 N -0.07 -0.67 -0.89 5.26 5.03 -1.92 -0.33 116.97 123.38 1wyq h TYR 65 Ca 0.31 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.79 1wyq h TYR 65 Cb 0.57 0.24 -0.10 0.00 1.55 0.00 0.00 36.73 38.98 1wyq h TYR 65 CO -0.66 -0.39 0.46 -0.91 -1.32 0.00 0.00 178.16 175.34 1wyq h ASN 66 N -0.63 0.54 0.17 -2.11 2.35 -1.41 0.29 115.58 114.78 1wyq h ASN 66 Ca -0.04 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1wyq h ASN 66 Cb 0.52 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1wyq h ASN 66 CO 0.04 0.18 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.85 1wyq h LEU 67 N 0.60 -0.19 -1.31 1.61 3.38 -0.28 -2.94 115.31 116.18 1wyq h LEU 67 Ca 0.51 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.78 1wyq h LEU 67 Cb 0.81 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 1wyq h LEU 67 CO -0.41 -0.10 0.68 0.06 0.09 0.00 0.00 178.44 178.76 1wyq h GLN 68 N -0.30 0.35 0.05 1.13 3.07 -0.87 -0.29 115.11 118.25 1wyq h GLN 68 Ca -0.02 -0.02 0.03 0.00 0.09 0.00 0.00 58.65 58.72 1wyq h GLN 68 Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 27.61 1wyq h GLN 68 CO 0.04 0.23 -0.31 -0.97 0.09 0.00 0.00 178.83 177.91 1wyq h ASN 69 N 0.36 -0.90 0.16 0.06 -1.24 -0.40 0.46 115.58 114.07 1wyq h ASN 69 Ca 0.64 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.76 1wyq h ASN 69 Cb 1.66 0.36 0.00 0.00 0.73 0.00 0.00 38.32 41.06 1wyq h ASN 69 CO -0.36 -0.38 -0.08 0.00 -1.29 0.00 0.00 177.43 175.33 1wyq h ALA 70 N 0.23 -0.21 -0.90 1.57 0.00 -0.90 -0.48 119.26 118.57 1wyq h ALA 70 Ca 0.05 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.05 1wyq h ALA 70 Cb 0.55 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 1wyq h ALA 70 CO -0.23 -0.53 0.41 0.74 0.00 0.00 0.00 179.25 179.64 1wyq h PHE 71 N -0.39 0.68 0.40 0.00 0.04 -1.14 0.20 116.94 116.73 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 0.31 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1wyq h PHE 71 CO -0.01 -0.01 -0.19 -0.91 -0.60 0.00 0.00 178.31 176.58 1wyq h ASN 72 N 0.44 -0.46 -0.55 2.17 2.35 -0.73 -2.11 115.58 116.68 1wyq h ASN 72 Ca 0.55 -0.04 0.10 0.00 -0.55 0.00 0.00 56.30 56.36 1wyq h ASN 72 Cb 1.02 0.12 -0.11 0.00 0.05 0.00 0.00 38.32 39.40 1wyq h ASN 72 CO -0.50 -0.02 -0.29 -0.07 -1.65 0.00 0.00 177.43 174.90 1wyq h LEU 73 N -1.10 -1.00 -2.14 1.61 3.38 -0.58 0.96 115.31 116.45 1wyq h LEU 73 Ca -0.06 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wyq h LEU 73 Cb 0.47 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1wyq h LEU 73 CO 0.09 -0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.26 1wyq h ALA 74 N 1.09 1.28 0.00 1.53 0.00 -0.73 0.50 119.26 122.93 1wyq h ALA 74 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wyq h ALA 74 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wyq h ALA 74 CO -0.64 0.09 -0.71 -1.91 0.00 0.00 0.00 179.25 176.09 1wyq n GLU 75 N -3.58 0.20 -0.04 0.00 0.00 0.22 -0.54 120.64 116.91 1wyq n GLU 75 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 57.16 57.13 1wyq n GLU 75 Cb 0.19 -1.60 -0.01 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.88 0.25 0.09 5.31 4.81 0.27 -4.04 118.16 122.97 1wyq n LYS 76 Ca 0.04 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1wyq n LYS 76 Cb 0.41 -0.89 -0.02 0.00 0.02 0.00 0.00 35.03 34.55 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wyq h GLU 77 N -0.47 -0.22 -0.11 1.64 4.39 -0.28 -3.31 114.58 116.21 1wyq h GLU 77 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1wyq h GLU 77 Cb 0.47 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1wyq h GLU 77 CO 0.00 -0.15 0.04 -0.07 -1.16 0.00 0.00 179.01 177.67 1wyq h LEU 78 N -0.24 0.16 -0.06 1.33 3.38 -1.63 -3.48 115.31 114.77 1wyq h LEU 78 Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wyq h LEU 78 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wyq h LEU 78 CO 0.04 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1wyq n GLY 79 N -0.62 0.93 3.91 0.83 0.00 -0.19 -5.00 105.19 105.04 1wyq n GLY 79 Ca -0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 4.12 -0.42 0.99 1.43 0.30 -4.94 118.68 120.10 1wyq s LEU 80 Ca 0.00 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1wyq s LEU 80 Cb 0.00 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1wyq s LEU 80 CO 0.00 -0.04 0.47 -0.89 0.23 0.00 0.00 176.35 176.12 1wyq s THR 81 N -2.00 5.04 -0.85 5.49 2.01 -1.26 -3.94 115.64 120.13 1wyq s THR 81 Ca 0.33 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.82 1wyq s THR 81 Cb -0.09 -4.06 -0.15 0.00 0.01 0.00 0.00 72.50 68.21 1wyq s THR 81 CO 0.27 -0.44 2.34 -1.59 -0.69 0.00 0.00 174.62 174.51 1wyq s LYS 82 N 2.25 1.52 0.32 4.92 -2.85 -1.26 -4.74 119.74 119.90 1wyq s LYS 82 Ca 0.14 0.28 0.01 0.00 -1.00 0.00 0.00 55.97 55.40 1wyq s LYS 82 Cb -0.16 -4.83 0.56 0.00 -2.06 0.00 0.00 37.83 31.34 1wyq s LYS 82 CO 0.14 -4.67 1.96 -0.07 0.10 0.00 0.00 175.35 172.82 1wyq h LEU 83 N 22.47 0.84 0.00 2.77 3.38 -1.97 -3.43 115.31 139.37 1wyq h LEU 83 Ca 0.01 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1wyq h LEU 83 Cb 1.00 -0.19 0.05 0.00 0.09 0.00 0.00 40.66 41.61 1wyq h LEU 83 CO 1.01 0.58 0.01 0.18 0.09 0.00 0.00 178.44 180.31 1wyq n LEU 84 N -4.45 0.00 -4.17 1.67 4.77 -1.26 -5.14 117.00 108.43 1wyq n LEU 84 Ca 0.10 -2.41 -0.16 0.00 -0.03 0.00 0.00 56.01 53.50 1wyq n LEU 84 Cb 0.11 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 1wyq n LEU 84 CO 0.35 -0.83 -0.44 -1.81 -1.33 0.00 0.00 177.39 173.33 1wyq s ASP 85 N -4.90 1.53 0.00 -1.43 1.11 -1.26 -5.02 116.67 106.70 1wyq s ASP 85 Ca 0.65 -0.70 0.15 0.00 0.18 0.00 0.00 52.55 52.84 1wyq s ASP 85 Cb -0.05 -0.02 0.91 0.00 1.07 0.00 0.00 42.92 44.84 1wyq s ASP 85 CO 0.42 -0.16 1.33 -0.81 1.18 0.00 0.00 175.17 177.12 1wyq n PRO 86 N 0.97 0.49 -0.03 8.23 -0.04 -1.26 -1.97 135.00 141.38 1wyq n PRO 86 Ca -0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.23 1wyq n PRO 86 Cb 0.56 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.99 0.88 -0.04 0.54 0.28 -1.26 -4.33 120.64 115.71 1wyq n GLU 87 Ca 0.11 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 1wyq n GLU 87 Cb 0.05 -1.14 -0.08 0.00 1.43 0.00 0.00 31.44 31.70 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 0.50 -0.15 -1.84 3.32 -1.94 -3.29 116.42 113.02 1wyq h ASP 88 Ca -0.16 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.30 1wyq h ASP 88 Cb 1.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1wyq h ASP 88 CO -0.02 0.99 0.04 0.58 -1.72 0.00 0.00 179.24 179.12 1wyq h VAL 89 N 0.03 1.19 -0.37 -1.35 2.07 -1.68 -3.38 116.25 112.76 1wyq h VAL 89 Ca -0.00 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1wyq h VAL 89 Cb 0.92 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1wyq h VAL 89 CO 0.07 0.18 0.14 0.21 0.02 0.00 0.00 177.57 178.19 1wyq s ASN 90 N -5.62 4.02 0.22 0.57 2.47 -1.24 -4.49 114.94 110.87 1wyq s ASN 90 Ca -0.14 -0.23 -0.16 0.00 0.42 0.00 0.00 52.86 52.75 1wyq s ASN 90 Cb 0.06 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.32 1wyq s ASN 90 CO 0.70 -3.84 0.53 0.54 -3.72 0.00 0.00 177.10 171.32 1wyq s VAL 91 N 14.39 0.02 0.14 -5.21 0.11 -1.26 -4.91 120.40 123.68 1wyq s VAL 91 Ca 0.87 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 1wyq s VAL 91 Cb -0.11 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1wyq s VAL 91 CO 0.08 -0.07 1.61 0.44 -3.33 0.00 0.00 175.10 173.83 1wyq h ASP 92 N 2.20 -1.03 -2.76 3.54 3.32 -1.96 -3.35 116.42 116.38 1wyq h ASP 92 Ca -0.26 0.16 -0.60 0.00 0.02 0.00 0.00 57.03 56.35 1wyq h ASP 92 Cb 1.25 0.45 -0.39 0.00 0.22 0.00 0.00 39.33 40.86 1wyq h ASP 92 CO 0.35 -0.35 -0.84 -1.10 -1.72 0.00 0.00 179.24 175.58 1wyq s GLN 93 N -5.99 1.12 0.17 3.56 -1.52 -1.26 -4.79 119.66 110.94 1wyq s GLN 93 Ca -0.15 -2.08 -0.30 0.00 -1.95 0.00 0.00 55.36 50.88 1wyq s GLN 93 Cb 0.11 -1.86 -0.08 0.00 -0.22 0.00 0.00 33.01 30.95 1wyq s GLN 93 CO 0.66 -1.28 1.33 -1.25 -0.25 0.00 0.00 175.29 174.50 1wyq s PRO 94 N 0.15 4.37 -0.84 2.91 0.04 -1.26 -4.85 135.00 135.52 1wyq s PRO 94 Ca 0.25 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 1wyq s PRO 94 Cb -0.10 -3.22 -0.19 0.00 0.04 0.00 0.00 34.50 31.03 1wyq s PRO 94 CO -0.10 -0.31 2.48 -0.25 0.04 0.00 0.00 177.00 178.86 1wyq n ASP 95 N 3.08 0.66 -0.31 6.66 8.00 -1.26 -4.63 116.55 128.75 1wyq n ASP 95 Ca 0.08 -0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.33 1wyq n ASP 95 Cb 0.43 -1.11 0.28 0.00 -0.02 0.00 0.00 41.12 40.70 1wyq n ASP 95 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1wyq h GLU 96 N 13.91 0.56 -0.63 -1.24 4.11 -1.89 0.24 114.58 129.64 1wyq h GLU 96 Ca -0.08 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.37 1wyq h GLU 96 Cb 1.22 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1wyq h GLU 96 CO 1.33 0.37 0.42 0.87 0.07 0.00 0.00 179.01 182.07 1wyq h LYS 97 N 0.58 0.64 0.00 1.06 1.79 -1.85 0.27 116.57 119.06 1wyq h LYS 97 Ca 0.53 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1wyq h LYS 97 Cb 0.87 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1wyq h LYS 97 CO -0.43 0.42 0.00 0.45 -1.08 0.00 0.00 179.45 178.82 1wyq n SER 98 N -4.47 0.50 -0.14 0.86 2.88 0.80 -3.15 113.62 110.90 1wyq n SER 98 Ca 0.09 0.59 -0.29 0.00 -1.33 0.00 0.00 58.87 57.93 1wyq n SER 98 Cb 0.20 -0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 62.85 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1wyq n ILE 99 N -2.02 1.53 -0.30 2.46 5.41 0.47 -4.03 119.36 122.87 1wyq n ILE 99 Ca 0.04 -0.38 0.25 0.00 1.00 0.00 0.00 62.75 63.66 1wyq n ILE 99 Cb 0.28 -1.86 0.57 0.00 -0.71 0.00 0.00 39.64 37.92 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 -0.93 0.52 -0.15 1.39 2.04 -0.68 0.39 117.51 120.09 1wyq h ILE 100 Ca -0.68 -0.10 -0.20 0.00 1.00 0.00 0.00 64.86 64.88 1wyq h ILE 100 Cb 1.62 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1wyq h ILE 100 CO -0.39 0.05 -0.71 0.74 0.00 0.00 0.00 178.15 177.84 1wyq h THR 101 N 0.29 1.31 0.17 -0.27 2.02 -1.75 -2.44 112.91 112.24 1wyq h THR 101 Ca 0.56 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 1wyq h THR 101 Cb 1.64 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1wyq h THR 101 CO -0.21 0.62 -0.08 0.22 0.37 0.00 0.00 175.52 176.44 1wyq h TYR 102 N 0.46 -0.21 -0.05 3.16 3.20 -0.60 -3.22 116.97 119.71 1wyq h TYR 102 Ca -0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1wyq h TYR 102 Cb 1.31 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 1wyq h TYR 102 CO 0.07 0.16 0.16 -0.24 -1.64 0.00 0.00 178.16 176.66 1wyq h VAL 103 N -0.95 0.14 0.00 1.81 3.04 -0.56 0.15 116.25 119.88 1wyq h VAL 103 Ca -0.02 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.62 1wyq h VAL 103 Cb 0.46 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1wyq h VAL 103 CO 0.04 0.00 -0.20 0.00 -1.01 0.00 0.00 177.57 176.39 1wyq h ALA 104 N 1.73 1.56 -0.53 3.17 0.00 -1.44 -2.68 119.26 121.07 1wyq h ALA 104 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1wyq h ALA 104 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wyq h ALA 104 CO -0.00 0.26 -0.03 1.79 0.00 0.00 0.00 179.25 181.27 1wyq h THR 105 N 0.00 1.27 -0.73 0.00 1.35 -1.06 -1.46 112.91 112.28 1wyq h THR 105 Ca -0.00 -1.14 0.09 0.00 -0.55 0.00 0.00 66.41 64.81 1wyq h THR 105 Cb 0.38 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 1wyq h THR 105 CO 0.03 0.40 0.48 1.88 -0.25 0.00 0.00 175.52 178.06 1wyq h TYR 106 N 0.83 0.68 0.12 4.73 -1.99 -1.59 0.25 116.97 119.98 1wyq h TYR 106 Ca 0.15 0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.71 1wyq h TYR 106 Cb 0.57 -0.22 0.02 0.00 2.00 0.00 0.00 36.73 39.10 1wyq h TYR 106 CO 0.04 0.32 -0.81 -0.92 -0.00 0.00 0.00 178.16 176.79 1wyq h TYR 107 N 0.64 0.59 0.51 4.88 3.20 -1.53 -3.05 116.97 122.22 1wyq h TYR 107 Ca 0.33 -0.41 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1wyq h TYR 107 Cb 0.45 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.69 1wyq h TYR 107 CO -0.00 1.29 -0.25 0.45 -1.64 0.00 0.00 178.16 178.01 1wyq h HIS 108 N -0.27 -0.64 0.10 -3.82 3.86 -0.71 0.38 115.15 114.05 1wyq h HIS 108 Ca -0.13 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1wyq h HIS 108 Cb 1.60 0.21 -0.03 0.00 1.06 0.00 0.00 27.41 30.25 1wyq h HIS 108 CO 0.18 -0.36 -0.38 -0.92 0.86 0.00 0.00 177.93 177.31 1wyq h TYR 109 N -0.78 -1.11 -1.01 2.45 3.20 -0.68 -1.70 116.97 117.35 1wyq h TYR 109 Ca -0.07 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.89 1wyq h TYR 109 Cb 0.57 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1wyq h TYR 109 CO -0.02 -0.43 0.65 0.74 -1.64 0.00 0.00 178.16 177.45 1wyq h PHE 110 N -0.55 1.20 -0.47 -3.82 0.04 -1.58 -2.50 116.94 109.27 1wyq h PHE 110 Ca -0.01 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.89 1wyq h PHE 110 Cb 0.55 -0.39 -0.10 0.00 2.20 0.00 0.00 35.95 38.21 1wyq h PHE 110 CO -0.40 0.62 -0.19 0.77 -0.60 0.00 0.00 178.31 178.51 1wyq h SER 111 N 1.18 -0.66 -0.73 2.17 0.02 0.45 -1.54 113.55 114.44 1wyq h SER 111 Ca 0.44 0.16 0.14 0.00 -0.84 0.00 0.00 61.79 61.69 1wyq h SER 111 Cb 0.17 0.37 -0.14 0.00 0.14 0.00 0.00 62.40 62.95 1wyq h SER 111 CO -0.18 -0.22 -0.19 0.29 -1.14 0.00 0.00 176.83 175.39 1wyq n LYS 112 N -5.39 -0.08 -2.81 3.45 5.02 -0.70 -1.12 118.16 116.53 1wyq n LYS 112 Ca 0.04 1.14 -0.42 0.00 -2.02 0.00 0.00 58.31 57.04 1wyq n LYS 112 Cb 0.30 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1wyq n LYS 112 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1wyq s MET 113 N -5.89 4.22 -1.44 1.97 -1.94 -0.58 -3.85 119.30 111.79 1wyq s MET 113 Ca -0.11 1.09 -0.09 0.00 -1.71 0.00 0.00 55.69 54.87 1wyq s MET 113 Cb 0.19 -3.64 0.05 0.00 2.01 0.00 0.00 34.83 33.44 1wyq s MET 113 CO 0.56 -0.55 0.95 1.63 -0.01 0.00 0.00 175.02 177.61 1wyq n LYS 114 N 6.07 -5.84 -1.53 2.03 5.02 -1.25 -4.77 118.16 117.89 1wyq n LYS 114 Ca 0.08 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 1wyq n LYS 114 Cb 0.47 -5.50 -0.08 0.00 -0.02 0.00 0.00 35.03 29.91 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq n ALA 115 N -4.62 0.61 -0.26 7.82 0.00 -0.27 -4.76 120.51 119.03 1wyq n ALA 115 Ca -0.06 -0.79 0.19 0.00 0.00 0.00 0.00 53.44 52.77 1wyq n ALA 115 Cb 0.57 -2.91 0.35 0.00 0.00 0.00 0.00 19.45 17.47 1wyq n ALA 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wyq n LEU 116 N 14.13 0.10 -3.32 0.00 -0.00 -1.26 -4.53 117.00 122.12 1wyq n LEU 116 Ca 0.48 1.31 -0.44 0.00 -0.00 0.00 0.00 56.01 57.36 1wyq n LEU 116 Cb 0.36 -0.56 -0.06 0.00 -0.00 0.00 0.00 43.42 43.16 1wyq n LEU 116 CO 0.78 -1.40 0.48 0.00 -0.00 0.00 0.00 177.39 177.25 1wyq n ALA 117 N -2.82 -2.55 -0.63 1.47 0.00 -1.26 -4.89 120.51 109.83 1wyq n ALA 117 Ca 0.24 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.81 1wyq n ALA 117 Cb 0.82 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.23 1wyq n ALA 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wyq s VAL 118 N 0.32 1.39 0.47 0.00 -7.23 -1.26 -5.07 120.40 109.01 1wyq s VAL 118 Ca 0.68 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.89 1wyq s VAL 118 Cb -0.95 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 1wyq s VAL 118 CO 0.44 0.00 0.03 -1.83 -0.31 0.00 0.00 175.10 173.43 1wyq s GLU 119 N -5.16 2.10 -0.67 4.82 -1.05 -1.26 -5.03 118.70 112.45 1wyq s GLU 119 Ca 0.69 -2.24 -0.26 0.00 -0.15 0.00 0.00 54.97 53.01 1wyq s GLU 119 Cb -0.13 -1.61 -0.11 0.00 -0.44 0.00 0.00 34.13 31.84 1wyq s GLU 119 CO 0.58 -0.23 2.42 0.41 0.95 0.00 0.00 175.26 179.39 1wyq n GLY 120 N -1.16 -0.02 3.54 -3.83 0.00 -1.26 -4.83 105.19 97.63 1wyq n GLY 120 Ca -0.12 0.46 -0.12 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 8.66 0.79 0.55 1.61 2.20 -1.26 -5.15 119.74 127.14 1wyq s LYS 121 Ca 0.96 0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 1wyq s LYS 121 Cb -0.16 0.37 -0.11 0.00 -1.51 0.00 0.00 37.83 36.42 1wyq s LYS 121 CO 0.16 -0.28 0.24 -1.13 -0.36 0.00 0.00 175.35 173.99 1wyq n SER 122 N 0.50 -2.18 0.00 1.43 3.41 -1.26 -4.48 113.62 111.04 1wyq n SER 122 Ca -0.12 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1wyq n SER 122 Cb 0.59 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1wyq n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 123 N 2.09 0.53 0.00 5.00 0.00 -1.26 -4.75 105.19 106.81 1wyq n GLY 123 Ca 0.10 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 0.42 -1.00 1.61 -0.04 -1.26 -4.89 135.00 129.84 1wyq n PRO 124 Ca 0.00 0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1wyq n PRO 124 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1wyq n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyq n SER 125 N -1.07 -1.12 -4.39 3.54 2.88 -1.26 -4.78 113.62 107.42 1wyq n SER 125 Ca 0.11 0.78 -0.36 0.00 -1.33 0.00 0.00 58.87 58.06 1wyq n SER 125 Cb 0.07 -0.68 0.06 0.00 -0.75 0.00 0.00 64.21 62.91 1wyq n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wyq n SER 126 N 1.49 -2.00 0.00 -3.46 2.88 -1.26 -5.14 113.62 106.13 1wyq n SER 126 Ca 0.12 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1wyq n SER 126 Cb 0.20 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1wyq n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42