#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 -1.12 -0.11 1.61 3.41 -1.26 -4.78 113.62 111.38 1wyq n SER 2 Ca 0.00 -1.03 -0.18 0.00 -0.26 0.00 0.00 58.87 57.41 1wyq n SER 2 Cb 0.00 -1.31 -0.07 0.00 -0.26 0.00 0.00 64.21 62.57 1wyq n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wyq n SER 3 N -1.94 1.90 -4.02 4.04 2.88 -1.26 -4.87 113.62 110.35 1wyq n SER 3 Ca 0.04 0.41 -0.31 0.00 -1.33 0.00 0.00 58.87 57.68 1wyq n SER 3 Cb 0.40 -0.84 -0.15 0.00 -0.75 0.00 0.00 64.21 62.87 1wyq n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyq s GLY 4 N -4.95 1.85 0.66 0.46 0.00 -1.26 -5.11 107.32 98.97 1wyq s GLY 4 Ca -0.29 -2.34 -0.10 0.00 0.00 0.00 0.00 44.72 41.99 1wyq s GLY 4 CO 0.44 0.89 1.03 -1.35 0.00 0.00 0.00 173.10 174.11 1wyq s SER 5 N 0.97 5.51 0.33 1.64 1.04 -1.26 -4.98 113.70 116.95 1wyq s SER 5 Ca 0.07 1.00 -0.24 0.00 0.48 0.00 0.00 55.95 57.25 1wyq s SER 5 Cb -0.19 -1.87 -0.15 0.00 0.10 0.00 0.00 66.02 63.91 1wyq s SER 5 CO -0.08 -1.24 0.41 -1.20 0.98 0.00 0.00 173.24 172.11 1wyq n SER 6 N -2.86 -1.56 0.00 7.02 7.64 -1.26 -4.85 113.62 117.75 1wyq n SER 6 Ca 0.06 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1wyq n SER 6 Cb 0.57 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyq n GLY 7 N 2.02 0.25 1.97 0.23 0.00 -1.26 -5.14 105.19 103.25 1wyq n GLY 7 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq n ALA 8 N -1.49 -0.89 -1.54 4.61 0.00 -1.26 -5.02 120.51 114.92 1wyq n ALA 8 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.62 1wyq n ALA 8 Cb 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.53 1wyq n ALA 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wyq n LYS 9 N -2.53 1.06 -0.07 0.00 -0.00 -1.26 -4.79 118.16 110.56 1wyq n LYS 9 Ca 0.08 -2.53 -0.09 0.00 -0.00 0.00 0.00 58.31 55.77 1wyq n LYS 9 Cb 0.30 -1.23 -0.05 0.00 -0.00 0.00 0.00 35.03 34.05 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1wyq h ASP 10 N 0.44 0.00 -0.35 -5.58 3.32 -1.99 -3.11 116.42 109.16 1wyq h ASP 10 Ca -0.03 -0.26 0.08 0.00 0.02 0.00 0.00 57.03 56.84 1wyq h ASP 10 Cb 1.16 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 1wyq h ASP 10 CO 0.01 0.92 -0.21 0.00 -1.72 0.00 0.00 179.24 178.24 1wyq h ALA 11 N -0.74 0.03 0.56 3.45 0.00 -2.00 -1.86 119.26 118.70 1wyq h ALA 11 Ca -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wyq h ALA 11 Cb 0.67 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wyq h ALA 11 CO -0.05 -0.59 -0.30 1.25 0.00 0.00 0.00 179.25 179.55 1wyq h LEU 12 N -0.16 -0.74 -1.01 0.00 5.85 -1.88 -2.44 115.31 114.92 1wyq h LEU 12 Ca 0.18 0.04 0.37 0.00 0.84 0.00 0.00 57.88 59.30 1wyq h LEU 12 Cb 0.43 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.50 1wyq h LEU 12 CO -0.45 -0.50 0.56 0.25 -0.34 0.00 0.00 178.44 177.97 1wyq h LEU 13 N -0.80 0.43 -0.64 2.25 5.85 -1.39 1.13 115.31 122.13 1wyq h LEU 13 Ca -0.07 0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1wyq h LEU 13 Cb 0.64 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1wyq h LEU 13 CO 0.10 -0.27 -0.27 0.25 -0.34 0.00 0.00 178.44 177.92 1wyq h LEU 14 N 0.18 0.80 0.32 2.25 5.85 -0.92 -2.79 115.31 121.01 1wyq h LEU 14 Ca 0.79 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wyq h LEU 14 Cb 1.94 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 1wyq h LEU 14 CO -0.67 1.03 -0.40 -0.25 -0.34 0.00 0.00 178.44 177.81 1wyq h TRP 15 N 0.67 -1.10 -0.23 1.25 7.01 0.18 -1.34 115.95 122.38 1wyq h TRP 15 Ca 0.08 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1wyq h TRP 15 Cb 0.79 0.44 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 1wyq h TRP 15 CO 0.04 -0.54 0.16 0.00 -2.79 0.00 0.00 178.44 175.31 1wyq h GLN 17 N 0.11 1.07 -0.08 0.00 4.20 -1.02 0.55 115.11 119.94 1wyq h GLN 17 Ca 0.10 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1wyq h GLN 17 Cb 0.28 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1wyq h GLN 17 CO -0.01 0.97 0.01 0.52 -0.67 0.00 0.00 178.83 179.64 1wyq h MET 18 N 0.99 0.13 0.10 1.46 2.86 -0.23 0.48 114.93 120.72 1wyq h MET 18 Ca 0.20 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1wyq h MET 18 Cb 0.39 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1wyq h MET 18 CO 0.01 0.37 -0.05 0.87 1.06 0.00 0.00 176.91 179.17 1wyq h LYS 19 N -0.12 -0.13 0.00 1.72 1.79 -1.40 -2.80 116.57 115.63 1wyq h LYS 19 Ca 0.02 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1wyq h LYS 19 Cb 0.30 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1wyq h LYS 19 CO 0.00 0.06 -0.25 1.79 -1.08 0.00 0.00 179.45 179.97 1wyq h THR 20 N -0.29 0.82 -0.82 -0.16 1.35 -0.91 -3.44 112.91 109.46 1wyq h THR 20 Ca -0.01 -1.02 -0.72 0.00 -0.55 0.00 0.00 66.41 64.11 1wyq h THR 20 Cb 0.24 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1wyq h THR 20 CO 0.02 0.25 1.27 0.00 -0.25 0.00 0.00 175.52 176.81 1wyq n ALA 21 N -2.33 0.50 0.00 6.62 0.00 0.17 0.04 120.51 125.50 1wyq n ALA 21 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1wyq n ALA 21 Cb 0.37 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 6.35 2.61 3.37 0.00 0.00 -1.26 -4.99 105.19 111.27 1wyq n GLY 22 Ca 0.43 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.88 -2.18 1.61 4.02 0.11 -4.87 117.16 113.97 1wyq n TYR 23 Ca 0.00 0.20 -0.42 0.00 -0.01 0.00 0.00 57.90 57.67 1wyq n TYR 23 Cb 0.00 -1.74 -0.03 0.00 -0.02 0.00 0.00 39.34 37.55 1wyq n TYR 23 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1wyq s PRO 24 N -3.45 4.27 -0.40 -0.72 0.04 -1.26 -3.29 135.00 130.19 1wyq s PRO 24 Ca 0.55 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 1wyq s PRO 24 Cb -0.20 -3.56 0.05 0.00 0.04 0.00 0.00 34.50 30.83 1wyq s PRO 24 CO 0.69 -0.59 0.13 0.09 0.04 0.00 0.00 177.00 177.36 1wyq n ASN 25 N 5.31 -1.12 -4.10 6.66 3.02 -1.26 -4.84 115.26 118.93 1wyq n ASN 25 Ca 0.13 0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 1wyq n ASN 25 Cb 0.43 -1.07 -0.13 0.00 -0.61 0.00 0.00 39.78 38.41 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyq s VAL 26 N -2.16 3.00 -0.13 2.41 1.01 -1.21 -5.03 120.40 118.30 1wyq s VAL 26 Ca 0.18 -2.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.09 1wyq s VAL 26 Cb -0.10 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1wyq s VAL 26 CO 0.22 -0.59 0.03 0.20 0.00 0.00 0.00 175.10 174.96 1wyq s ASN 27 N 1.53 2.18 -0.92 3.32 -0.87 -1.26 -4.49 114.94 114.43 1wyq s ASN 27 Ca 0.07 -0.44 -0.21 0.00 -1.57 0.00 0.00 52.86 50.71 1wyq s ASN 27 Cb -0.21 -0.44 0.10 0.00 -0.02 0.00 0.00 41.25 40.67 1wyq s ASN 27 CO -0.05 -0.27 1.21 -0.69 -2.57 0.00 0.00 177.10 174.73 1wyq s VAL 28 N 1.97 4.42 -0.26 1.60 1.01 -1.26 -4.76 120.40 123.13 1wyq s VAL 28 Ca 0.02 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1wyq s VAL 28 Cb -0.15 -4.86 -0.15 0.00 0.00 0.00 0.00 36.38 31.22 1wyq s VAL 28 CO -0.07 -1.64 -0.23 1.57 0.00 0.00 0.00 175.10 174.74 1wyq n HIS 29 N 7.44 0.14 -4.65 5.22 -0.00 -1.26 -4.62 115.22 117.49 1wyq n HIS 29 Ca 0.23 0.04 -0.29 0.00 -0.00 0.00 0.00 57.72 57.70 1wyq n HIS 29 Cb 0.49 -1.02 -0.09 0.00 -0.00 0.00 0.00 29.99 29.37 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 -7.04 3.69 -0.07 0.26 4.22 -1.26 -5.04 114.94 109.70 1wyq s ASN 30 Ca -0.36 -1.53 0.18 0.00 -2.14 0.00 0.00 52.86 49.01 1wyq s ASN 30 Cb 0.11 0.15 0.60 0.00 1.28 0.00 0.00 41.25 43.40 1wyq s ASN 30 CO 0.56 -0.70 1.52 0.49 -2.04 0.00 0.00 177.10 176.92 1wyq n PHE 31 N -1.06 1.11 0.00 1.54 3.72 -1.26 -4.24 117.46 117.27 1wyq n PHE 31 Ca -0.11 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 1wyq n PHE 31 Cb 0.67 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.97 0.00 -0.11 4.37 -2.24 -1.26 -3.91 114.28 112.11 1wyq n THR 32 Ca 0.22 0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1wyq n THR 32 Cb 0.74 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.77 1.86 0.00 4.28 -2.24 -1.26 -3.32 114.28 111.83 1wyq n THR 33 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1wyq n THR 33 Cb 0.00 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 0.85 4.55 -0.01 3.42 2.88 -1.26 -4.72 113.62 119.33 1wyq n SER 34 Ca 0.08 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.62 1wyq n SER 34 Cb 0.57 0.68 0.01 0.00 -0.75 0.00 0.00 64.21 64.71 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 -1.62 0.00 0.04 0.66 7.02 -1.21 -4.27 117.44 118.06 1wyq n TRP 35 Ca 0.00 -0.50 -0.12 0.00 -1.02 0.00 0.00 57.50 55.85 1wyq n TRP 35 Cb 0.23 -0.05 -0.08 0.00 -2.42 0.00 0.00 31.31 28.99 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 -0.03 0.24 -0.99 2.43 -1.82 -3.28 114.38 110.93 1wyq h ARG 36 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1wyq h ARG 36 Cb 0.57 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1wyq h ARG 36 CO 0.00 0.08 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.99 1wyq h ASP 37 N -0.13 -0.28 0.00 -3.80 3.32 -1.91 -3.33 116.42 110.29 1wyq h ASP 37 Ca -0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1wyq h ASP 37 Cb 0.13 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1wyq h ASP 37 CO 0.00 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 1wyq n GLY 38 N 0.32 2.44 0.23 2.75 0.00 -1.24 -4.23 105.19 105.47 1wyq n GLY 38 Ca -0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.59 -0.34 0.99 4.77 -1.26 0.13 117.00 120.69 1wyq n LEU 39 Ca 0.00 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.05 1wyq n LEU 39 Cb 0.00 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1wyq n LEU 39 CO 0.00 -0.88 0.44 0.00 -1.33 0.00 0.00 177.39 175.62 1wyq n ALA 40 N -3.32 -0.36 -0.17 -1.18 0.00 -1.26 0.75 120.51 114.97 1wyq n ALA 40 Ca 0.01 0.77 -0.03 0.00 0.00 0.00 0.00 53.44 54.19 1wyq n ALA 40 Cb 0.15 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.42 0.00 0.00 0.04 -0.62 0.19 116.94 116.97 1wyq h PHE 41 Ca 0.20 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1wyq h PHE 41 Cb 0.41 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1wyq h PHE 41 CO -0.82 0.17 0.00 0.09 -0.60 0.00 0.00 178.31 177.16 1wyq n ASN 42 N -4.93 0.00 -0.08 2.17 3.02 0.23 -2.79 115.26 112.87 1wyq n ASN 42 Ca 0.05 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.70 1wyq n ASN 42 Cb 0.18 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.96 1.36 0.14 5.41 0.00 0.13 -3.74 120.51 122.85 1wyq n ALA 43 Ca 0.15 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 1wyq n ALA 43 Cb 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 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 0.01 0.80 0.13 0.00 2.04 -1.23 -2.65 117.51 116.61 1wyq h ILE 44 Ca -0.51 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1wyq h ILE 44 Cb 2.04 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1wyq h ILE 44 CO -0.00 0.09 -0.06 0.58 0.00 0.00 0.00 178.15 178.75 1wyq h VAL 45 N -0.55 0.88 -1.05 1.67 2.07 -1.79 -2.16 116.25 115.32 1wyq h VAL 45 Ca -0.03 -0.03 0.30 0.00 0.82 0.00 0.00 66.70 67.76 1wyq h VAL 45 Cb 0.40 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1wyq h VAL 45 CO 0.06 0.01 0.75 -0.74 0.02 0.00 0.00 177.57 177.66 1wyq h HIS 46 N -0.19 0.08 -0.46 1.57 -0.00 -1.64 0.46 115.15 114.97 1wyq h HIS 46 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 1wyq h HIS 46 Cb 0.15 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 1wyq h HIS 46 CO -0.07 0.01 0.01 -0.22 -0.00 0.00 0.00 177.93 177.67 1wyq h LYS 47 N 0.05 0.80 0.00 5.26 1.63 -1.01 -2.45 116.57 120.85 1wyq h LYS 47 Ca 0.51 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 1wyq h LYS 47 Cb 1.94 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.49 1wyq h LYS 47 CO -0.04 0.85 -0.23 0.45 -3.45 0.00 0.00 179.45 177.03 1wyq h HIS 48 N 0.65 0.00 -3.05 1.91 3.86 -0.43 -3.43 115.15 114.66 1wyq h HIS 48 Ca 0.13 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.72 1wyq h HIS 48 Cb 0.48 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.55 1wyq h HIS 48 CO 0.04 0.59 -0.70 1.03 0.86 0.00 0.00 177.93 179.74 1wyq s ARG 49 N -2.00 1.63 0.00 2.45 1.81 0.12 -4.94 118.95 118.02 1wyq s ARG 49 Ca -0.13 -2.39 0.11 0.00 -1.72 0.00 0.00 55.73 51.59 1wyq s ARG 49 Cb -0.00 -2.69 0.64 0.00 -0.45 0.00 0.00 34.95 32.45 1wyq s ARG 49 CO 0.37 -1.19 1.07 -0.35 -0.68 0.00 0.00 175.30 174.53 1wyq n PRO 50 N 3.11 0.48 -0.02 3.54 -0.04 -0.92 -2.74 135.00 138.41 1wyq n PRO 50 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1wyq n PRO 50 Cb 0.35 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1wyq n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wyq n ASP 51 N -0.85 2.06 -0.26 3.54 8.00 -1.26 -4.40 116.55 123.38 1wyq n ASP 51 Ca 0.08 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1wyq n ASP 51 Cb 0.04 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.14 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 -0.21 -1.97-10.06 0.64 3.38 -1.91 -3.43 115.31 101.75 1wyq h LEU 52 Ca -0.41 0.28 -0.68 0.00 0.09 0.00 0.00 57.88 57.16 1wyq h LEU 52 Cb 1.85 0.84 -0.13 0.00 0.09 0.00 0.00 40.66 43.31 1wyq h LEU 52 CO 0.01 -0.33 -0.50 -1.48 0.09 0.00 0.00 178.44 176.23 1wyq s LEU 53 N -10.34 2.31 -0.62 1.67 2.34 -1.26 -5.10 118.68 107.67 1wyq s LEU 53 Ca -0.13 -1.64 0.05 0.00 0.06 0.00 0.00 54.13 52.47 1wyq s LEU 53 Cb 0.09 -0.75 0.19 0.00 -0.56 0.00 0.00 46.19 45.16 1wyq s LEU 53 CO 0.61 -0.87 0.53 -0.90 -1.06 0.00 0.00 176.35 174.65 1wyq n ASP 54 N -1.29 2.36 -0.31 1.48 5.68 -1.26 -4.82 116.55 118.38 1wyq n ASP 54 Ca -0.19 -3.08 0.08 0.00 -0.50 0.00 0.00 54.79 51.11 1wyq n ASP 54 Cb 0.67 -0.69 0.19 0.00 -1.14 0.00 0.00 41.12 40.15 1wyq n ASP 54 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1wyq h PHE 55 N 5.05 -0.19 -0.84 2.11 3.57 -1.89 1.09 116.94 125.83 1wyq h PHE 55 Ca 0.18 0.07 0.18 0.00 3.53 0.00 0.00 57.97 61.93 1wyq h PHE 55 Cb 0.77 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1wyq h PHE 55 CO 0.60 -0.36 0.56 0.93 -2.23 0.00 0.00 178.31 177.81 1wyq h GLU 56 N 0.04 0.39 -0.02 1.11 5.08 -1.97 -1.10 114.58 118.11 1wyq h GLU 56 Ca 0.48 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.64 1wyq h GLU 56 Cb 0.88 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1wyq h GLU 56 CO -0.84 0.26 -0.68 1.03 -1.00 0.00 0.00 179.01 177.78 1wyq h SER 57 N 0.40 0.62 -3.63 1.42 0.87 0.76 -3.45 113.55 110.54 1wyq h SER 57 Ca 0.43 -0.74 -0.56 0.00 -1.23 0.00 0.00 61.79 59.69 1wyq h SER 57 Cb 1.05 -0.19 0.18 0.00 -0.44 0.00 0.00 62.40 63.00 1wyq h SER 57 CO -0.15 1.28 -0.00 0.18 -0.53 0.00 0.00 176.83 177.61 1wyq n LEU 58 N -4.15 2.95 -4.07 2.23 4.77 -0.42 -5.03 117.00 113.29 1wyq n LEU 58 Ca -0.10 0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1wyq n LEU 58 Cb 0.71 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.33 1wyq n LEU 58 CO 0.48 -2.26 -0.37 -0.75 -1.33 0.00 0.00 177.39 173.17 1wyq s LYS 59 N -3.15 0.56 0.40 3.23 2.47 -1.26 -4.97 119.74 117.01 1wyq s LYS 59 Ca 0.72 -1.03 0.10 0.00 -1.56 0.00 0.00 55.97 54.20 1wyq s LYS 59 Cb -0.35 0.07 0.90 0.00 -1.46 0.00 0.00 37.83 36.98 1wyq s LYS 59 CO 0.52 -0.06 1.96 0.87 0.16 0.00 0.00 175.35 178.80 1wyq h LYS 60 N 3.66 0.55 -0.32 4.03 1.57 -1.99 -0.18 116.57 123.90 1wyq h LYS 60 Ca -0.34 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1wyq h LYS 60 Cb 1.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1wyq h LYS 60 CO 0.56 0.36 0.23 0.00 -0.57 0.00 0.00 179.45 180.04 1wyq n ASN 62 N -4.45 5.88 0.10 0.00 5.03 -0.08 -4.80 115.26 116.94 1wyq n ASN 62 Ca 0.05 -3.25 -0.05 0.00 0.87 0.00 0.00 54.58 52.19 1wyq n ASN 62 Cb 0.37 -1.36 -0.02 0.00 -1.02 0.00 0.00 39.78 37.75 1wyq n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wyq h ALA 63 N 5.82 -0.38 -0.42 5.41 0.00 -1.74 -1.88 119.26 126.07 1wyq h ALA 63 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wyq h ALA 63 Cb 0.67 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1wyq h ALA 63 CO 1.35 -0.35 0.21 1.25 0.00 0.00 0.00 179.25 181.71 1wyq h HIS 64 N -0.90 0.38 -0.77 0.00 -0.00 -1.83 0.43 115.15 112.46 1wyq h HIS 64 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1wyq h HIS 64 Cb 0.25 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 1wyq h HIS 64 CO 0.01 0.20 0.49 -0.92 -0.00 0.00 0.00 177.93 177.71 1wyq h TYR 65 N 0.42 0.99 -0.51 5.26 5.03 -1.92 -1.97 116.97 124.26 1wyq h TYR 65 Ca 0.18 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.40 1wyq h TYR 65 Cb 0.09 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 1wyq h TYR 65 CO -0.10 0.64 -0.07 -0.91 -1.32 0.00 0.00 178.16 176.40 1wyq h ASN 66 N 1.05 0.89 0.37 -2.11 4.21 -0.79 -2.33 115.58 116.87 1wyq h ASN 66 Ca 0.28 -0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1wyq h ASN 66 Cb -0.08 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.88 1wyq h ASN 66 CO -0.06 0.99 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.83 1wyq h LEU 67 N 0.82 -0.42 -1.45 1.61 3.38 -0.44 -2.75 115.31 116.06 1wyq h LEU 67 Ca 0.14 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.40 1wyq h LEU 67 Cb 0.58 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1wyq h LEU 67 CO 0.04 -0.29 0.69 0.06 0.09 0.00 0.00 178.44 179.02 1wyq h GLN 68 N -0.52 0.33 0.11 1.13 3.07 -1.44 -0.55 115.11 117.24 1wyq h GLN 68 Ca -0.05 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.69 1wyq h GLN 68 Cb 0.38 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.83 1wyq h GLN 68 CO 0.08 0.22 -0.30 -0.97 0.09 0.00 0.00 178.83 177.95 1wyq h ASN 69 N 0.34 -0.86 0.02 0.06 -1.24 -1.24 0.22 115.58 112.87 1wyq h ASN 69 Ca 0.58 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.69 1wyq h ASN 69 Cb 1.59 0.33 0.00 0.00 0.73 0.00 0.00 38.32 40.97 1wyq h ASN 69 CO -0.26 -0.39 -0.01 0.00 -1.29 0.00 0.00 177.43 175.49 1wyq h ALA 70 N 0.17 -0.02 -0.79 1.57 0.00 -0.87 0.49 119.26 119.81 1wyq h ALA 70 Ca 0.03 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.92 1wyq h ALA 70 Cb 0.55 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1wyq h ALA 70 CO -0.18 -0.34 0.33 0.74 0.00 0.00 0.00 179.25 179.81 1wyq h PHE 71 N -0.37 0.57 0.30 0.00 0.04 -1.06 0.26 116.94 116.67 1wyq h PHE 71 Ca -0.00 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1wyq h PHE 71 Cb 0.36 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1wyq h PHE 71 CO 0.04 0.06 -0.15 -0.91 -0.60 0.00 0.00 178.31 176.76 1wyq h ASN 72 N 0.47 -0.34 -0.93 2.17 2.35 -0.51 -2.77 115.58 116.01 1wyq h ASN 72 Ca 0.44 0.01 0.16 0.00 -0.55 0.00 0.00 56.30 56.37 1wyq h ASN 72 Cb 0.69 0.09 -0.16 0.00 0.05 0.00 0.00 38.32 38.99 1wyq h ASN 72 CO -0.42 0.05 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.02 1wyq h LEU 73 N -0.99 -1.16 -1.15 1.61 3.38 -0.70 0.91 115.31 117.21 1wyq h LEU 73 Ca -0.04 0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1wyq h LEU 73 Cb 0.31 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1wyq h LEU 73 CO 0.07 -0.30 0.58 0.00 0.09 0.00 0.00 178.44 178.88 1wyq h ALA 74 N 1.58 1.44 0.00 1.53 0.00 -1.06 0.83 119.26 123.58 1wyq h ALA 74 Ca 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1wyq h ALA 74 Cb 0.63 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wyq h ALA 74 CO -0.95 0.48 -0.07 1.49 0.00 0.00 0.00 179.25 180.20 1wyq h GLU 75 N 1.11 0.00 0.00 0.00 4.22 1.00 0.52 114.58 121.43 1wyq h GLU 75 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1wyq h GLU 75 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wyq h GLU 75 CO -0.10 0.07 -0.16 1.17 -2.18 0.00 0.00 179.01 177.81 1wyq n LYS 76 N -3.19 0.09 0.00 1.92 4.81 0.52 -3.70 118.16 118.61 1wyq n LYS 76 Ca 0.01 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1wyq n LYS 76 Cb 0.35 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.66 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 -2.81 0.00 -0.12 1.64 -0.58 0.27 -3.42 120.64 115.62 1wyq n GLU 77 Ca -0.02 0.55 -0.08 0.00 -0.42 0.00 0.00 57.16 57.18 1wyq n GLU 77 Cb 0.08 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.45 -0.10 -4.62 3.38 -1.58 -3.48 115.31 109.36 1wyq h LEU 78 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wyq h LEU 78 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1wyq h LEU 78 CO 0.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1wyq n GLY 79 N -1.15 1.27 3.94 0.83 0.00 0.18 -5.00 105.19 105.26 1wyq n GLY 79 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.10 3.91 -0.39 0.99 1.43 -0.80 -4.94 118.68 118.78 1wyq s LEU 80 Ca 0.00 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1wyq s LEU 80 Cb 0.00 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1wyq s LEU 80 CO 0.00 -0.41 0.48 -0.89 0.23 0.00 0.00 176.35 175.76 1wyq s THR 81 N -2.39 5.04 -0.24 5.49 2.01 -1.26 -4.04 115.64 120.25 1wyq s THR 81 Ca 0.42 0.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.12 1wyq s THR 81 Cb -0.10 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1wyq s THR 81 CO 0.37 -0.32 2.15 0.29 -0.69 0.00 0.00 174.62 176.42 1wyq n LYS 82 N 5.70 1.70 -0.01 4.92 5.02 -1.26 -4.83 118.16 129.40 1wyq n LYS 82 Ca -0.06 0.50 -0.19 0.00 -2.02 0.00 0.00 58.31 56.54 1wyq n LYS 82 Cb 0.48 -2.85 -0.14 0.00 -0.02 0.00 0.00 35.03 32.51 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 10.07 2.37 0.00 -0.35 4.77 -1.26 -4.98 117.00 127.63 1wyq n LEU 83 Ca 0.33 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 1wyq n LEU 83 Cb 0.34 -0.89 0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1wyq n LEU 83 CO 0.71 0.79 0.17 0.18 -1.33 0.00 0.00 177.39 177.91 1wyq n LEU 84 N -3.39 0.00 -4.22 2.23 4.77 -1.26 -5.15 117.00 109.99 1wyq n LEU 84 Ca -0.31 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.27 1wyq n LEU 84 Cb 1.05 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 1wyq n LEU 84 CO 0.42 -0.60 -0.44 -1.81 -1.33 0.00 0.00 177.39 173.63 1wyq s ASP 85 N -3.81 1.82 0.00 -1.43 1.01 -1.26 -5.02 116.67 107.98 1wyq s ASP 85 Ca 0.37 -0.80 0.16 0.00 0.71 0.00 0.00 52.55 52.99 1wyq s ASP 85 Cb -0.03 -0.04 0.92 0.00 1.01 0.00 0.00 42.92 44.78 1wyq s ASP 85 CO 0.24 -0.18 1.35 -0.81 0.21 0.00 0.00 175.17 175.98 1wyq n PRO 86 N 0.58 0.47 -0.04 8.23 -0.04 -1.26 -2.14 135.00 140.80 1wyq n PRO 86 Ca -0.16 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1wyq n PRO 86 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1wyq n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wyq n GLU 87 N -1.02 2.48 0.03 0.54 0.28 -1.26 -4.27 120.64 117.42 1wyq n GLU 87 Ca 0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.92 1wyq n GLU 87 Cb 0.06 -1.19 -0.11 0.00 1.43 0.00 0.00 31.44 31.63 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 0.75 -0.11 -1.84 3.32 -1.91 -3.33 116.42 113.30 1wyq h ASP 88 Ca -0.20 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.06 1wyq h ASP 88 Cb 1.44 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1wyq h ASP 88 CO 0.01 1.42 -0.02 0.58 -1.72 0.00 0.00 179.24 179.51 1wyq h VAL 89 N 0.16 1.28 -0.38 -1.35 2.07 -1.70 -3.39 116.25 112.92 1wyq h VAL 89 Ca -0.12 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1wyq h VAL 89 Cb 1.57 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1wyq h VAL 89 CO 0.17 0.26 0.09 0.21 0.02 0.00 0.00 177.57 178.32 1wyq s ASN 90 N -5.76 4.00 0.01 0.57 2.47 -1.25 -4.59 114.94 110.40 1wyq s ASN 90 Ca -0.14 -0.03 -0.26 0.00 0.42 0.00 0.00 52.86 52.84 1wyq s ASN 90 Cb 0.05 -2.55 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 1wyq s ASN 90 CO 0.71 -3.78 0.60 0.54 -3.72 0.00 0.00 177.10 171.44 1wyq s VAL 91 N 14.37 0.01 0.20 -5.21 0.11 -1.26 -4.92 120.40 123.70 1wyq s VAL 91 Ca 0.90 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.64 1wyq s VAL 91 Cb -0.12 -0.97 0.15 0.00 -1.53 0.00 0.00 36.38 33.91 1wyq s VAL 91 CO 0.07 -0.06 1.56 0.44 -3.33 0.00 0.00 175.10 173.78 1wyq h ASP 92 N 2.86 -1.52 -3.03 3.54 5.19 -1.97 -3.30 116.42 118.19 1wyq h ASP 92 Ca -0.29 0.29 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 1wyq h ASP 92 Cb 1.19 0.75 -0.40 0.00 0.18 0.00 0.00 39.33 41.05 1wyq h ASP 92 CO 0.40 -0.29 -0.79 -1.10 -3.12 0.00 0.00 179.24 174.33 1wyq s GLN 93 N -5.87 0.89 0.00 3.56 -0.21 -1.26 -4.78 119.66 111.99 1wyq s GLN 93 Ca -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 53.63 1wyq s GLN 93 Cb 0.17 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1wyq s GLN 93 CO 0.69 -1.18 0.00 -0.35 -2.12 0.00 0.00 175.29 172.33 1wyq n PRO 94 N 3.86 -0.86 -3.33 2.91 -0.04 -1.25 -4.96 135.00 131.34 1wyq n PRO 94 Ca 0.10 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.09 1wyq n PRO 94 Cb 0.36 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.80 1wyq n PRO 94 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyq s ASP 95 N -1.51 6.87 0.37 3.54 1.01 -1.26 -4.91 116.67 120.79 1wyq s ASP 95 Ca 0.00 -2.87 0.21 0.00 0.71 0.00 0.00 52.55 50.61 1wyq s ASP 95 Cb 0.00 -2.21 1.34 0.00 1.01 0.00 0.00 42.92 43.06 1wyq s ASP 95 CO 0.00 -0.52 1.59 1.05 0.21 0.00 0.00 175.17 177.50 1wyq h GLU 96 N 7.56 0.03 -0.38 8.23 4.11 -1.94 1.21 114.58 133.40 1wyq h GLU 96 Ca 0.12 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.44 1wyq h GLU 96 Cb 1.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1wyq h GLU 96 CO 0.80 0.02 -0.18 0.87 0.07 0.00 0.00 179.01 180.58 1wyq h LYS 97 N 0.03 0.80 0.00 1.06 6.56 -1.91 0.23 116.57 123.34 1wyq h LYS 97 Ca 0.84 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 60.08 1wyq h LYS 97 Cb 2.25 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.89 1wyq h LYS 97 CO -0.73 0.97 0.00 0.43 -2.06 0.00 0.00 179.45 178.06 1wyq n SER 98 N -4.27 0.71 -0.12 0.86 7.64 0.40 -2.78 113.62 116.06 1wyq n SER 98 Ca -0.02 0.68 -0.26 0.00 1.01 0.00 0.00 58.87 60.29 1wyq n SER 98 Cb 0.42 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1wyq n ILE 99 N -2.29 1.54 -0.26 0.44 5.41 -0.15 -4.12 119.36 119.93 1wyq n ILE 99 Ca 0.02 -0.37 0.19 0.00 1.00 0.00 0.00 62.75 63.59 1wyq n ILE 99 Cb 0.22 -1.82 0.50 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.74 0.66 -0.24 1.39 2.04 -0.53 -0.29 117.51 119.79 1wyq h ILE 100 Ca -0.60 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1wyq h ILE 100 Cb 1.64 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1wyq h ILE 100 CO -0.29 0.08 0.02 0.74 0.00 0.00 0.00 178.15 178.70 1wyq h THR 101 N 0.43 1.24 0.56 -0.27 2.02 -1.72 -1.87 112.91 113.31 1wyq h THR 101 Ca 0.49 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1wyq h THR 101 Cb 1.20 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1wyq h THR 101 CO -0.20 0.26 -0.27 0.22 0.37 0.00 0.00 175.52 175.90 1wyq h TYR 102 N 0.21 -0.70 -1.11 3.16 5.03 -1.25 -2.92 116.97 119.39 1wyq h TYR 102 Ca 0.07 -0.02 0.32 0.00 2.58 0.00 0.00 58.73 61.68 1wyq h TYR 102 Cb 0.37 0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.83 1wyq h TYR 102 CO 0.03 -0.44 0.78 -0.24 -1.32 0.00 0.00 178.16 176.98 1wyq h VAL 103 N -0.85 0.45 -0.74 1.81 3.04 -1.37 0.34 116.25 118.94 1wyq h VAL 103 Ca -0.08 -0.03 0.18 0.00 -1.01 0.00 0.00 66.70 65.76 1wyq h VAL 103 Cb 0.58 0.36 -0.04 0.00 -2.01 0.00 0.00 31.29 30.17 1wyq h VAL 103 CO 0.13 0.02 0.51 0.00 -1.01 0.00 0.00 177.57 177.21 1wyq h ALA 104 N 1.48 2.36 -0.49 3.17 0.00 -1.13 0.38 119.26 125.03 1wyq h ALA 104 Ca 0.55 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 1wyq h ALA 104 Cb 2.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 1wyq h ALA 104 CO -0.07 -0.57 -0.08 1.79 0.00 0.00 0.00 179.25 180.31 1wyq h THR 105 N 0.22 1.26 -0.94 0.00 1.35 -0.36 -2.14 112.91 112.30 1wyq h THR 105 Ca 0.36 -1.17 0.05 0.00 -0.55 0.00 0.00 66.41 65.09 1wyq h THR 105 Cb 1.09 0.96 -0.06 0.00 -1.73 0.00 0.00 68.15 68.42 1wyq h THR 105 CO -0.08 0.41 0.61 1.88 -0.25 0.00 0.00 175.52 178.09 1wyq h TYR 106 N 0.80 1.13 0.41 4.73 -1.99 -1.02 0.33 116.97 121.37 1wyq h TYR 106 Ca 0.14 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.88 1wyq h TYR 106 Cb 0.59 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1wyq h TYR 106 CO 0.03 0.63 -0.20 -0.92 -0.00 0.00 0.00 178.16 177.70 1wyq h TYR 107 N 1.15 -0.51 -0.16 4.88 3.20 -1.43 -2.90 116.97 121.20 1wyq h TYR 107 Ca 0.39 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.29 1wyq h TYR 107 Cb 0.06 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1wyq h TYR 107 CO -0.01 -0.32 -0.23 0.45 -1.64 0.00 0.00 178.16 176.41 1wyq h HIS 108 N -1.09 -0.60 -0.18 -3.82 3.86 -1.34 0.28 115.15 112.26 1wyq h HIS 108 Ca -0.06 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1wyq h HIS 108 Cb 0.42 0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 1wyq h HIS 108 CO 0.01 -0.31 -0.27 -0.92 0.86 0.00 0.00 177.93 177.30 1wyq h TYR 109 N -0.27 -0.81 -0.74 2.45 3.20 -0.46 0.34 116.97 120.68 1wyq h TYR 109 Ca 0.11 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1wyq h TYR 109 Cb 0.44 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 1wyq h TYR 109 CO -0.34 -0.24 0.42 0.74 -1.64 0.00 0.00 178.16 177.09 1wyq h PHE 110 N -0.20 0.76 -0.98 -3.82 0.04 -1.34 -1.57 116.94 109.83 1wyq h PHE 110 Ca 0.03 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.93 1wyq h PHE 110 Cb 0.29 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.13 1wyq h PHE 110 CO -0.64 0.35 0.62 0.66 -0.60 0.00 0.00 178.31 178.70 1wyq h SER 111 N 0.75 0.93 -0.37 2.17 4.64 0.61 -1.87 113.55 120.41 1wyq h SER 111 Ca 0.34 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.74 1wyq h SER 111 Cb 0.24 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 1wyq h SER 111 CO -0.20 0.53 0.12 0.11 -0.87 0.00 0.00 176.83 176.52 1wyq h LYS 112 N 1.02 0.26 -6.16 4.77 1.57 0.67 -3.44 116.57 115.27 1wyq h LYS 112 Ca 0.47 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.66 1wyq h LYS 112 Cb 0.38 -0.06 0.20 0.00 0.08 0.00 0.00 32.23 32.84 1wyq h LYS 112 CO -0.24 0.18 -1.23 -1.33 -0.57 0.00 0.00 179.45 176.26 1wyq n MET 113 N -5.03 0.05 -1.23 3.15 2.81 -0.70 -4.66 117.12 111.51 1wyq n MET 113 Ca 0.02 0.03 -0.47 0.00 -1.81 0.00 0.00 57.70 55.47 1wyq n MET 113 Cb 0.14 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1wyq n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1wyq n LYS 114 N 1.30 0.00 -3.59 0.03 4.81 -1.26 -4.94 118.16 114.52 1wyq n LYS 114 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.43 1wyq n LYS 114 Cb 0.51 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 34.40 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ALA 115 N -0.25 -2.01 0.19 3.14 0.00 -1.26 -5.06 121.76 116.51 1wyq s ALA 115 Ca 0.70 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.97 1wyq s ALA 115 Cb -0.98 -0.37 -0.15 0.00 0.00 0.00 0.00 23.12 21.62 1wyq s ALA 115 CO 0.47 -0.50 0.43 1.47 0.00 0.00 0.00 175.76 177.64 1wyq n LEU 116 N 0.14 -1.24 -3.64 0.00 -0.00 -1.26 -4.97 117.00 106.04 1wyq n LEU 116 Ca -0.03 0.98 -0.05 0.00 -0.00 0.00 0.00 56.01 56.91 1wyq n LEU 116 Cb 0.59 -0.84 -0.07 0.00 -0.00 0.00 0.00 43.42 43.10 1wyq n LEU 116 CO 0.10 -2.76 1.00 0.00 -0.00 0.00 0.00 177.39 175.73 1wyq s ALA 117 N -0.94 -2.11 -0.22 1.47 0.00 -1.26 -5.04 121.76 113.66 1wyq s ALA 117 Ca 0.57 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 54.24 1wyq s ALA 117 Cb -0.81 -1.56 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1wyq s ALA 117 CO 0.50 -0.17 3.05 1.33 0.00 0.00 0.00 175.76 180.47 1wyq n VAL 118 N 1.60 3.06 -3.93 0.00 0.24 -1.26 -4.71 118.33 113.34 1wyq n VAL 118 Ca -0.10 -2.10 -0.29 0.00 -2.04 0.00 0.00 64.34 59.81 1wyq n VAL 118 Cb 0.57 -1.75 0.02 0.00 -1.47 0.00 0.00 33.84 31.21 1wyq n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wyq n GLU 119 N 1.59 -4.95 -2.91 7.34 1.02 -1.26 -4.89 120.64 116.58 1wyq n GLU 119 Ca 0.42 0.56 -0.43 0.00 -0.02 0.00 0.00 57.16 57.68 1wyq n GLU 119 Cb 0.71 -5.32 -0.04 0.00 -0.02 0.00 0.00 31.44 26.78 1wyq n GLU 119 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wyq s GLY 120 N -3.55 1.54 -0.03 0.62 0.00 -1.26 -4.98 107.32 99.65 1wyq s GLY 120 Ca 0.52 -2.08 -0.17 0.00 0.00 0.00 0.00 44.72 42.99 1wyq s GLY 120 CO 0.85 1.98 0.37 -1.59 0.00 0.00 0.00 173.10 174.71 1wyq s LYS 121 N 3.59 0.70 -0.73 2.90 -2.85 -1.26 -5.11 119.74 116.98 1wyq s LYS 121 Ca 0.23 -0.05 -0.04 0.00 -1.00 0.00 0.00 55.97 55.11 1wyq s LYS 121 Cb -0.16 0.32 0.19 0.00 -2.06 0.00 0.00 37.83 36.12 1wyq s LYS 121 CO 0.06 -0.19 0.59 0.45 0.10 0.00 0.00 175.35 176.35 1wyq s SER 122 N -1.15 5.64 0.00 0.03 0.15 -1.26 -4.99 113.70 112.13 1wyq s SER 122 Ca -0.12 -3.11 0.00 0.00 0.70 0.00 0.00 55.95 53.42 1wyq s SER 122 Cb -0.04 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1wyq s SER 122 CO 0.05 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wyq n GLY 123 N 3.17 2.48 3.70 9.45 0.00 -1.26 -5.07 105.19 117.66 1wyq n GLY 123 Ca 0.13 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.78 0.83 0.01 1.61 0.04 -1.26 -5.00 135.00 127.45 1wyq s PRO 124 Ca 0.00 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 1wyq s PRO 124 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1wyq s PRO 124 CO 0.00 -2.49 0.84 -1.54 0.04 0.00 0.00 177.00 173.85 1wyq s SER 125 N -3.44 7.24 -0.27 6.66 1.04 -1.26 -5.04 113.70 118.63 1wyq s SER 125 Ca 0.64 1.49 -0.08 0.00 0.48 0.00 0.00 55.95 58.49 1wyq s SER 125 Cb -0.18 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1wyq s SER 125 CO 0.57 -0.12 0.09 -0.55 0.98 0.00 0.00 173.24 174.21 1wyq s SER 126 N 0.52 5.20 0.00 7.02 0.15 -1.26 -5.31 113.70 120.02 1wyq s SER 126 Ca 0.44 -0.41 0.32 0.00 0.70 0.00 0.00 55.95 56.99 1wyq s SER 126 Cb -0.20 -1.92 1.89 0.00 -1.71 0.00 0.00 66.02 64.07 1wyq s SER 126 CO 0.24 -0.11 2.22 0.61 1.20 0.00 0.00 173.24 177.40