#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 0.40 -1.87 1.61 3.41 -1.26 -4.73 113.62 111.18 1wyq n SER 2 Ca 0.00 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1wyq n SER 2 Cb 0.00 -0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 1wyq n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wyq n SER 3 N 9.82 6.02 0.00 4.04 3.41 -1.26 -4.93 113.62 130.73 1wyq n SER 3 Ca 0.63 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1wyq n SER 3 Cb 0.01 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 4 N 0.97 1.67 3.02 5.00 0.00 -1.26 -4.63 105.19 109.96 1wyq n GLY 4 Ca 0.25 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1wyq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyq s SER 5 N -4.00 2.23 -0.14 1.61 0.15 -1.26 -5.12 113.70 107.17 1wyq s SER 5 Ca 0.00 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.11 1wyq s SER 5 Cb 0.00 -0.98 0.04 0.00 -1.71 0.00 0.00 66.02 63.37 1wyq s SER 5 CO 0.00 -0.00 0.45 -0.94 1.20 0.00 0.00 173.24 173.95 1wyq s SER 6 N 1.03 -0.44 -0.66 5.45 1.04 -1.26 -5.11 113.70 113.75 1wyq s SER 6 Ca -0.07 0.77 -0.27 0.00 0.48 0.00 0.00 55.95 56.87 1wyq s SER 6 Cb -0.15 0.81 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1wyq s SER 6 CO -0.01 -0.24 1.50 -0.83 0.98 0.00 0.00 173.24 174.64 1wyq s GLY 7 N -0.11 0.65 -0.07 7.32 0.00 -1.26 -4.91 107.32 108.94 1wyq s GLY 7 Ca -0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 1wyq s GLY 7 CO 0.02 2.94 1.08 0.00 0.00 0.00 0.00 173.10 177.14 1wyq s ALA 8 N 6.93 -1.96 -0.74 3.20 0.00 -1.26 -5.05 121.76 122.88 1wyq s ALA 8 Ca 0.49 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.60 1wyq s ALA 8 Cb -0.10 0.20 0.38 0.00 0.00 0.00 0.00 23.12 23.60 1wyq s ALA 8 CO 0.19 -0.72 1.91 1.17 0.00 0.00 0.00 175.76 178.31 1wyq n LYS 9 N -0.22 2.84 0.00 0.00 4.81 -1.26 -4.39 118.16 119.93 1wyq n LYS 9 Ca -0.04 -3.59 0.00 0.00 -0.87 0.00 0.00 58.31 53.81 1wyq n LYS 9 Cb 0.60 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wyq n ASP 10 N -0.63 1.01 -0.16 3.14 8.00 -1.26 -4.53 116.55 122.12 1wyq n ASP 10 Ca 0.54 0.00 0.08 0.00 0.71 0.00 0.00 54.79 56.12 1wyq n ASP 10 Cb 0.40 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.90 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 0.00 1.79 0.07 2.24 0.00 -1.93 -1.29 119.26 120.14 1wyq h ALA 11 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wyq h ALA 11 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wyq h ALA 11 CO 0.00 0.08 -0.03 1.25 0.00 0.00 0.00 179.25 180.55 1wyq h LEU 12 N 0.66 -0.08 -0.84 0.00 5.85 -1.87 -2.81 115.31 116.22 1wyq h LEU 12 Ca 0.31 -0.21 0.21 0.00 0.84 0.00 0.00 57.88 59.03 1wyq h LEU 12 Cb 0.36 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.26 1wyq h LEU 12 CO -0.10 0.51 0.06 0.25 -0.34 0.00 0.00 178.44 178.81 1wyq h LEU 13 N -1.00 -0.30 -0.68 2.25 5.85 -1.77 0.40 115.31 120.06 1wyq h LEU 13 Ca -0.01 0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1wyq h LEU 13 Cb 0.29 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1wyq h LEU 13 CO 0.02 -0.21 0.09 0.25 -0.34 0.00 0.00 178.44 178.24 1wyq h LEU 14 N 0.11 1.07 0.21 2.25 5.85 -1.36 -2.26 115.31 121.18 1wyq h LEU 14 Ca 0.49 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1wyq h LEU 14 Cb 0.93 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1wyq h LEU 14 CO -0.73 1.07 -0.50 -0.25 -0.34 0.00 0.00 178.44 177.69 1wyq h TRP 15 N 1.03 -1.42 -0.80 1.25 7.01 0.06 0.34 115.95 123.43 1wyq h TRP 15 Ca 0.20 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1wyq h TRP 15 Cb 0.46 0.59 -0.04 0.00 -2.10 0.00 0.00 29.16 28.07 1wyq h TRP 15 CO 0.03 -0.60 0.53 0.00 -2.79 0.00 0.00 178.44 175.61 1wyq h GLN 17 N 1.00 1.10 0.14 0.00 4.20 -0.73 0.12 115.11 120.93 1wyq h GLN 17 Ca 0.32 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1wyq h GLN 17 Cb 0.02 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1wyq h GLN 17 CO -0.09 0.95 -0.07 0.52 -0.67 0.00 0.00 178.83 179.48 1wyq h MET 18 N 1.04 -0.18 0.87 1.46 2.86 0.41 -0.83 114.93 120.57 1wyq h MET 18 Ca 0.22 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1wyq h MET 18 Cb 0.32 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1wyq h MET 18 CO -0.00 0.13 -0.42 0.87 1.06 0.00 0.00 176.91 178.54 1wyq h LYS 19 N -0.49 -1.13 -0.32 1.72 1.79 -1.25 -2.70 116.57 114.20 1wyq h LYS 19 Ca -0.02 0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.62 1wyq h LYS 19 Cb 0.39 0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1wyq h LYS 19 CO 0.03 -0.75 0.34 1.79 -1.08 0.00 0.00 179.45 179.79 1wyq h THR 20 N -1.28 0.42 -1.17 -0.16 1.35 -0.86 -2.10 112.91 109.11 1wyq h THR 20 Ca -0.12 0.00 0.42 0.00 -0.55 0.00 0.00 66.41 66.16 1wyq h THR 20 Cb 0.90 0.73 -0.15 0.00 -1.73 0.00 0.00 68.15 67.90 1wyq h THR 20 CO 0.20 0.00 0.70 0.00 -0.25 0.00 0.00 175.52 176.17 1wyq h ALA 21 N 1.61 2.42 -0.74 6.62 0.00 -0.79 0.28 119.26 128.66 1wyq h ALA 21 Ca 0.15 0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.41 1wyq h ALA 21 Cb 0.84 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1wyq h ALA 21 CO -0.00 -1.11 0.07 0.78 0.00 0.00 0.00 179.25 178.99 1wyq h GLY 22 N 0.09 0.92 -5.22 0.00 0.00 -1.54 -3.39 103.07 93.93 1wyq h GLY 22 Ca 0.82 0.05 -0.58 0.00 0.00 0.00 0.00 47.33 47.62 1wyq h GLY 22 CO -0.58 -0.26 -0.12 -0.19 0.00 0.00 0.00 176.54 175.40 1wyq s TYR 23 N -6.08 3.61 -0.02 5.60 1.51 0.98 -5.00 117.35 117.95 1wyq s TYR 23 Ca -0.13 1.00 -0.25 0.00 -1.01 0.00 0.00 57.07 56.68 1wyq s TYR 23 Cb 0.22 -2.51 -0.19 0.00 -0.11 0.00 0.00 41.96 39.36 1wyq s TYR 23 CO 0.75 0.33 1.23 -1.00 -1.11 0.00 0.00 175.55 175.75 1wyq h PRO 24 N 5.95 -0.07 -0.64 -1.71 0.13 -1.82 -3.26 132.00 130.59 1wyq h PRO 24 Ca -0.45 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1wyq h PRO 24 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1wyq h PRO 24 CO 0.71 0.39 0.30 -2.95 -0.23 0.00 0.00 178.00 176.22 1wyq h ASN 25 N -0.55 0.38 -3.44 1.44 -1.07 -1.94 -3.41 115.58 106.99 1wyq h ASN 25 Ca -0.01 0.06 -0.52 0.00 0.07 0.00 0.00 56.30 55.90 1wyq h ASN 25 Cb 0.49 -0.01 0.04 0.00 -2.07 0.00 0.00 38.32 36.77 1wyq h ASN 25 CO 0.01 0.23 0.67 -0.69 0.07 0.00 0.00 177.43 177.72 1wyq s VAL 26 N -6.09 3.07 -0.22 6.14 1.01 -1.23 -5.02 120.40 118.06 1wyq s VAL 26 Ca -0.13 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 1wyq s VAL 26 Cb 0.17 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1wyq s VAL 26 CO 0.75 0.15 0.51 0.54 0.00 0.00 0.00 175.10 177.05 1wyq s ASN 27 N 0.24 -0.63 -0.90 3.32 4.22 -1.26 -4.78 114.94 115.16 1wyq s ASN 27 Ca 0.56 1.16 -0.01 0.00 -2.14 0.00 0.00 52.86 52.43 1wyq s ASN 27 Cb -0.38 1.29 0.24 0.00 1.28 0.00 0.00 41.25 43.69 1wyq s ASN 27 CO 0.40 -0.22 0.92 0.52 -2.04 0.00 0.00 177.10 176.69 1wyq n VAL 28 N 4.76 3.40 0.01 3.54 0.31 -1.26 -4.80 118.33 124.29 1wyq n VAL 28 Ca -0.17 -5.30 -0.13 0.00 -0.01 0.00 0.00 64.34 58.74 1wyq n VAL 28 Cb 0.54 -2.29 -0.14 0.00 -0.91 0.00 0.00 33.84 31.04 1wyq n VAL 28 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1wyq h HIS 29 N 5.59 0.18 -3.44 3.52 3.86 -1.95 -3.43 115.15 119.49 1wyq h HIS 29 Ca 0.18 -0.13 -0.54 0.00 -1.16 0.00 0.00 60.37 58.71 1wyq h HIS 29 Cb 0.75 -0.01 -0.13 0.00 1.06 0.00 0.00 27.41 29.08 1wyq h HIS 29 CO 0.77 1.23 -0.49 0.54 0.86 0.00 0.00 177.93 180.84 1wyq s ASN 30 N -6.50 2.48 -0.17 2.45 6.03 -1.26 -5.05 114.94 112.92 1wyq s ASN 30 Ca -0.09 -1.75 0.16 0.00 -1.03 0.00 0.00 52.86 50.16 1wyq s ASN 30 Cb 0.08 0.59 0.51 0.00 -3.03 0.00 0.00 41.25 39.39 1wyq s ASN 30 CO 0.82 -1.02 1.40 0.49 -2.03 0.00 0.00 177.10 176.76 1wyq n PHE 31 N -0.84 0.88 0.00 1.54 3.72 -1.26 -4.41 117.46 117.09 1wyq n PHE 31 Ca -0.01 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.53 1wyq n PHE 31 Cb 0.64 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1wyq n PHE 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wyq n THR 32 N -0.48 0.00 0.02 4.37 -2.24 -1.26 -3.76 114.28 110.93 1wyq n THR 32 Ca 0.21 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1wyq n THR 32 Cb 0.86 -0.67 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.23 1.86 0.00 4.28 -2.24 -1.26 -3.42 114.28 111.27 1wyq n THR 33 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1wyq n THR 33 Cb 0.00 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 0.40 4.58 -0.46 3.42 2.88 -1.26 -4.71 113.62 118.47 1wyq n SER 34 Ca 0.15 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.74 1wyq n SER 34 Cb 0.69 0.50 0.07 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.83 0.11 0.02 0.66 7.02 -1.23 -4.44 117.44 117.75 1wyq n TRP 35 Ca 0.00 -0.12 -0.11 0.00 -1.02 0.00 0.00 57.50 56.25 1wyq n TRP 35 Cb 0.41 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.24 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 1.99 -0.00 0.49 -0.99 2.43 -1.84 -3.25 114.38 113.22 1wyq h ARG 36 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1wyq h ARG 36 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1wyq h ARG 36 CO 0.00 -0.00 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.78 1wyq h ASP 37 N -0.00 -0.56 0.00 -3.80 5.19 -1.92 -3.40 116.42 111.93 1wyq h ASP 37 Ca 0.02 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1wyq h ASP 37 Cb 0.04 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1wyq h ASP 37 CO -0.05 -0.34 0.00 0.61 -3.12 0.00 0.00 179.24 176.34 1wyq n GLY 38 N -0.76 2.62 0.34 2.75 0.00 -1.23 -4.26 105.19 104.65 1wyq n GLY 38 Ca -0.08 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.76 1wyq n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyq h LEU 39 N 0.00 -0.46 -0.45 0.99 3.38 -1.89 0.15 115.31 117.02 1wyq h LEU 39 Ca 0.00 0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1wyq h LEU 39 Cb 0.00 0.49 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1wyq h LEU 39 CO 0.00 -0.37 -0.48 0.00 0.09 0.00 0.00 178.44 177.68 1wyq h ALA 40 N 2.00 -0.54 -0.73 1.53 0.00 -1.93 0.25 119.26 119.83 1wyq h ALA 40 Ca 0.61 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.60 1wyq h ALA 40 Cb 1.28 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.04 1wyq h ALA 40 CO -0.93 -0.93 0.48 0.74 0.00 0.00 0.00 179.25 178.61 1wyq h PHE 41 N -0.33 0.88 0.00 0.00 0.04 -1.06 0.11 116.94 116.58 1wyq h PHE 41 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1wyq h PHE 41 Cb 0.58 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1wyq h PHE 41 CO -0.69 0.53 0.00 0.09 -0.60 0.00 0.00 178.31 177.64 1wyq n ASN 42 N -4.45 0.00 -0.12 2.17 3.02 0.26 -3.24 115.26 112.91 1wyq n ASN 42 Ca 0.09 -1.18 -0.16 0.00 -0.03 0.00 0.00 54.58 53.29 1wyq n ASN 42 Cb 0.09 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.13 1wyq n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyq n ALA 43 N -0.87 1.45 0.10 5.41 0.00 0.63 -3.84 120.51 123.39 1wyq n ALA 43 Ca 0.16 -1.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1wyq n ALA 43 Cb 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1wyq n ALA 43 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wyq h ILE 44 N 0.00 0.93 0.87 0.00 2.04 -1.46 -2.89 117.51 117.00 1wyq h ILE 44 Ca -0.57 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1wyq h ILE 44 Cb 1.97 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1wyq h ILE 44 CO -0.06 0.10 -0.42 0.58 0.00 0.00 0.00 178.15 178.35 1wyq h VAL 45 N -0.43 0.00 -1.22 1.67 2.07 -1.80 -2.82 116.25 113.72 1wyq h VAL 45 Ca -0.02 -0.10 0.44 0.00 0.82 0.00 0.00 66.70 67.84 1wyq h VAL 45 Cb 0.34 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 1wyq h VAL 45 CO 0.04 0.00 0.76 1.57 0.02 0.00 0.00 177.57 179.96 1wyq n HIS 46 N -5.40 0.74 -0.18 1.57 -0.00 -1.25 0.20 115.22 110.90 1wyq n HIS 46 Ca -0.14 0.75 -0.08 0.00 -0.00 0.00 0.00 57.72 58.24 1wyq n HIS 46 Cb 0.46 -1.17 0.02 0.00 -0.00 0.00 0.00 29.99 29.29 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 0.75 0.04 1.57 1.63 -1.27 -1.84 116.57 117.45 1wyq h LYS 47 Ca 0.82 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 60.45 1wyq h LYS 47 Cb 2.54 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 34.05 1wyq h LYS 47 CO -0.49 0.63 -0.22 0.45 -3.45 0.00 0.00 179.45 176.37 1wyq h HIS 48 N 0.69 0.15 -2.93 1.91 3.86 0.23 -3.42 115.15 115.64 1wyq h HIS 48 Ca 0.18 -0.11 -0.60 0.00 -1.16 0.00 0.00 60.37 58.68 1wyq h HIS 48 Cb 0.13 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.20 1wyq h HIS 48 CO -0.00 1.07 -0.76 1.03 0.86 0.00 0.00 177.93 180.12 1wyq s ARG 49 N -2.35 1.02 0.00 2.45 1.81 0.96 -4.96 118.95 117.87 1wyq s ARG 49 Ca -0.17 -1.69 0.15 0.00 -1.72 0.00 0.00 55.73 52.30 1wyq s ARG 49 Cb -0.02 -2.04 0.87 0.00 -0.45 0.00 0.00 34.95 33.31 1wyq s ARG 49 CO 0.73 -1.14 1.37 -0.35 -0.68 0.00 0.00 175.30 175.23 1wyq n PRO 50 N 3.89 0.39 -0.04 3.54 -0.04 -0.69 -2.87 135.00 139.17 1wyq n PRO 50 Ca 0.07 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1wyq n PRO 50 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 1wyq n PRO 50 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wyq h ASP 51 N 0.00 0.22 -0.92 3.54 3.58 -1.93 -3.39 116.42 117.51 1wyq h ASP 51 Ca 0.00 -0.75 0.09 0.00 0.42 0.00 0.00 57.03 56.78 1wyq h ASP 51 Cb 0.05 -0.07 -0.12 0.00 1.72 0.00 0.00 39.33 40.91 1wyq h ASP 51 CO 0.00 1.57 -0.58 -0.07 -2.88 0.00 0.00 179.24 177.27 1wyq h LEU 52 N -0.55 -2.12 -8.64 2.28 3.38 -1.94 -3.42 115.31 104.30 1wyq h LEU 52 Ca -0.32 0.32 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1wyq h LEU 52 Cb 1.58 0.93 -0.17 0.00 0.09 0.00 0.00 40.66 43.09 1wyq h LEU 52 CO -0.04 -0.25 -0.74 -1.48 0.09 0.00 0.00 178.44 176.01 1wyq s LEU 53 N -10.49 2.45 -1.05 1.67 2.34 -1.26 -5.09 118.68 107.26 1wyq s LEU 53 Ca -0.12 -0.88 -0.06 0.00 0.06 0.00 0.00 54.13 53.12 1wyq s LEU 53 Cb 0.11 -0.51 0.27 0.00 -0.56 0.00 0.00 46.19 45.51 1wyq s LEU 53 CO 0.62 -0.20 1.12 0.47 -1.06 0.00 0.00 176.35 177.31 1wyq n ASP 54 N 0.24 5.40 -0.33 1.48 9.92 -1.26 -4.75 116.55 127.25 1wyq n ASP 54 Ca -0.13 -3.16 0.15 0.00 -0.53 0.00 0.00 54.79 51.12 1wyq n ASP 54 Cb 0.58 -1.26 0.30 0.00 -0.64 0.00 0.00 41.12 40.10 1wyq n ASP 54 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1wyq h PHE 55 N 6.13 0.04 -0.90 1.24 3.57 -1.89 1.22 116.94 126.36 1wyq h PHE 55 Ca 0.18 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1wyq h PHE 55 Cb 0.79 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1wyq h PHE 55 CO 0.80 -0.41 0.59 1.05 -2.23 0.00 0.00 178.31 178.12 1wyq h GLU 56 N 0.03 1.14 -0.27 1.11 4.11 -1.96 -2.58 114.58 116.16 1wyq h GLU 56 Ca 0.60 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.85 1wyq h GLU 56 Cb 1.26 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1wyq h GLU 56 CO -0.88 0.76 -0.25 1.03 0.07 0.00 0.00 179.01 179.74 1wyq h SER 57 N 1.18 0.68 -2.31 3.06 0.87 0.10 -3.45 113.55 113.68 1wyq h SER 57 Ca 0.34 -0.47 -0.61 0.00 -1.23 0.00 0.00 61.79 59.82 1wyq h SER 57 Cb -0.08 -0.19 0.12 0.00 -0.44 0.00 0.00 62.40 61.81 1wyq h SER 57 CO -0.09 1.01 -0.01 0.18 -0.53 0.00 0.00 176.83 177.39 1wyq n LEU 58 N -4.32 1.27 -4.98 2.23 4.77 -0.04 -4.98 117.00 110.95 1wyq n LEU 58 Ca -0.04 1.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.89 1wyq n LEU 58 Cb 0.45 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1wyq n LEU 58 CO 0.44 -1.77 0.09 -0.54 -1.33 0.00 0.00 177.39 174.28 1wyq s LYS 59 N -1.52 2.84 -0.58 3.23 1.02 -1.26 -4.98 119.74 118.48 1wyq s LYS 59 Ca 0.60 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 55.37 1wyq s LYS 59 Cb -0.71 -2.70 0.42 0.00 -0.52 0.00 0.00 37.83 34.32 1wyq s LYS 59 CO 0.59 -0.17 1.66 1.17 -0.92 0.00 0.00 175.35 177.69 1wyq n LYS 60 N -1.73 3.06 0.01 1.68 4.81 -1.26 -4.64 118.16 120.09 1wyq n LYS 60 Ca 0.05 -3.78 -0.02 0.00 -0.87 0.00 0.00 58.31 53.69 1wyq n LYS 60 Cb 0.59 -2.28 -0.01 0.00 0.02 0.00 0.00 35.03 33.36 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ASN 62 N -5.62 6.32 -0.03 0.00 -0.87 -1.26 -4.94 114.94 108.53 1wyq s ASN 62 Ca -0.06 -0.44 -0.19 0.00 -1.57 0.00 0.00 52.86 50.59 1wyq s ASN 62 Cb 0.01 -2.35 -0.13 0.00 -0.02 0.00 0.00 41.25 38.76 1wyq s ASN 62 CO 0.10 -0.93 0.83 0.00 -2.57 0.00 0.00 177.10 174.53 1wyq h ALA 63 N 9.02 -0.40 -0.82 0.60 0.00 -1.93 -3.14 119.26 122.59 1wyq h ALA 63 Ca -0.26 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1wyq h ALA 63 Cb 1.09 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1wyq h ALA 63 CO 0.97 -0.44 -0.48 1.58 0.00 0.00 0.00 179.25 180.87 1wyq n HIS 64 N -5.06 -0.36 -0.24 0.00 -0.00 -1.26 -0.10 115.22 108.21 1wyq n HIS 64 Ca -0.08 1.03 0.02 0.00 -0.00 0.00 0.00 57.72 58.69 1wyq n HIS 64 Cb 0.25 -0.56 0.10 0.00 -0.00 0.00 0.00 29.99 29.78 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 -0.22 -0.85 1.57 3.20 -1.94 0.24 116.97 118.97 1wyq h TYR 65 Ca 0.13 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1wyq h TYR 65 Cb 0.34 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1wyq h TYR 65 CO -0.99 -0.26 0.55 -0.91 -1.64 0.00 0.00 178.16 174.91 1wyq h ASN 66 N 0.05 0.99 0.00 -2.11 2.35 -0.45 -1.07 115.58 115.34 1wyq h ASN 66 Ca 0.35 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1wyq h ASN 66 Cb 0.58 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1wyq h ASN 66 CO -0.67 0.74 0.00 0.18 -1.65 0.00 0.00 177.43 176.03 1wyq n LEU 67 N -4.47 0.11 -0.35 1.61 4.77 0.68 -2.44 117.00 116.92 1wyq n LEU 67 Ca 0.09 0.78 0.30 0.00 -0.03 0.00 0.00 56.01 57.15 1wyq n LEU 67 Cb 0.03 -0.44 0.55 0.00 -2.33 0.00 0.00 43.42 41.23 1wyq n LEU 67 CO 0.37 -0.44 1.12 0.06 -1.33 0.00 0.00 177.39 177.16 1wyq h GLN 68 N 0.00 0.15 0.32 3.23 3.07 -0.85 0.19 115.11 121.22 1wyq h GLN 68 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1wyq h GLN 68 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.51 1wyq h GLN 68 CO 0.00 0.10 -0.31 -0.97 0.09 0.00 0.00 178.83 177.74 1wyq h ASN 69 N 0.15 -0.82 0.29 0.06 -1.24 -1.20 -0.36 115.58 112.47 1wyq h ASN 69 Ca 0.80 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.88 1wyq h ASN 69 Cb 2.07 0.28 -0.03 0.00 0.73 0.00 0.00 38.32 41.37 1wyq h ASN 69 CO -0.64 -0.44 -0.38 0.00 -1.29 0.00 0.00 177.43 174.69 1wyq h ALA 70 N -0.10 -0.77 -0.57 1.57 0.00 -0.30 -0.34 119.26 118.76 1wyq h ALA 70 Ca -0.02 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1wyq h ALA 70 Cb 0.59 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1wyq h ALA 70 CO -0.05 -0.98 -0.15 0.74 0.00 0.00 0.00 179.25 178.82 1wyq h PHE 71 N -0.72 -0.32 0.53 0.00 0.04 -1.31 0.10 116.94 115.26 1wyq h PHE 71 Ca -0.01 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1wyq h PHE 71 Cb 0.68 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1wyq h PHE 71 CO -0.25 -0.25 -0.37 -0.91 -0.60 0.00 0.00 178.31 175.93 1wyq h ASN 72 N -0.01 -0.97 -0.64 2.17 2.35 -0.72 0.65 115.58 118.42 1wyq h ASN 72 Ca 0.27 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 56.22 1wyq h ASN 72 Cb 0.42 0.30 -0.11 0.00 0.05 0.00 0.00 38.32 38.98 1wyq h ASN 72 CO -0.59 -0.56 -0.00 -0.07 -1.65 0.00 0.00 177.43 174.56 1wyq h LEU 73 N -0.88 -0.29 -0.94 1.61 3.38 -0.40 0.29 115.31 118.09 1wyq h LEU 73 Ca -0.06 0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1wyq h LEU 73 Cb 0.73 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1wyq h LEU 73 CO 0.03 -0.13 -0.51 0.00 0.09 0.00 0.00 178.44 177.92 1wyq h ALA 74 N 1.59 1.10 0.00 1.53 0.00 -0.74 0.33 119.26 123.07 1wyq h ALA 74 Ca 0.34 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wyq h ALA 74 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wyq h ALA 74 CO -0.55 0.64 0.00 1.49 0.00 0.00 0.00 179.25 180.82 1wyq h GLU 75 N 0.00 0.00 0.00 0.00 4.22 0.36 0.56 114.58 119.73 1wyq h GLU 75 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1wyq h GLU 75 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wyq h GLU 75 CO 0.07 0.00 -0.30 1.17 -2.18 0.00 0.00 179.01 177.76 1wyq n LYS 76 N -2.60 0.16 0.08 1.92 4.81 0.55 -4.01 118.16 119.07 1wyq n LYS 76 Ca 0.03 0.06 -0.04 0.00 -0.87 0.00 0.00 58.31 57.50 1wyq n LYS 76 Cb 0.37 -0.69 -0.02 0.00 0.02 0.00 0.00 35.03 34.72 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 -0.30 -0.22 -0.58 1.64 4.39 -0.53 -3.20 114.58 115.78 1wyq h GLU 77 Ca 0.00 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1wyq h GLU 77 Cb 0.30 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1wyq h GLU 77 CO 0.00 -0.15 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.60 1wyq h LEU 78 N -0.23 1.02 -0.93 1.33 3.38 -1.61 -3.48 115.31 114.79 1wyq h LEU 78 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1wyq h LEU 78 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wyq h LEU 78 CO 0.01 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1wyq n GLY 79 N -0.39 0.80 3.76 0.83 0.00 0.18 -5.00 105.19 105.38 1wyq n GLY 79 Ca 0.02 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.93 4.27 -0.09 0.99 1.43 -0.34 -4.95 118.68 119.05 1wyq s LEU 80 Ca 0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1wyq s LEU 80 Cb 0.00 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1wyq s LEU 80 CO 0.00 0.20 1.70 -0.89 0.23 0.00 0.00 176.35 177.59 1wyq s THR 81 N 0.06 3.53 -0.16 5.49 2.01 -1.26 -4.12 115.64 121.20 1wyq s THR 81 Ca 0.13 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 1wyq s THR 81 Cb -0.12 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1wyq s THR 81 CO 0.02 -0.11 2.16 -0.54 -0.69 0.00 0.00 174.62 175.46 1wyq s LYS 82 N 4.33 3.37 -0.18 4.92 1.02 -1.26 -4.83 119.74 127.12 1wyq s LYS 82 Ca 0.76 2.16 0.06 0.00 0.02 0.00 0.00 55.97 58.97 1wyq s LYS 82 Cb -0.32 -4.32 -0.22 0.00 -0.52 0.00 0.00 37.83 32.44 1wyq s LYS 82 CO 0.31 -1.83 0.13 1.28 -0.92 0.00 0.00 175.35 174.32 1wyq n LEU 83 N 10.69 1.79 -4.91 3.17 4.77 -1.26 -4.99 117.00 126.26 1wyq n LEU 83 Ca 0.27 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 56.09 1wyq n LEU 83 Cb 0.44 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1wyq n LEU 83 CO 0.67 0.72 0.07 -0.76 -1.33 0.00 0.00 177.39 176.75 1wyq s LEU 84 N -6.31 2.98 0.10 2.23 1.43 -1.26 -5.11 118.68 112.74 1wyq s LEU 84 Ca -0.21 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 1wyq s LEU 84 Cb 0.08 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1wyq s LEU 84 CO 0.74 -0.99 -0.20 -1.81 0.23 0.00 0.00 176.35 174.32 1wyq s ASP 85 N -4.28 2.40 0.00 2.29 1.01 -1.26 -5.01 116.67 111.81 1wyq s ASP 85 Ca 0.42 -0.69 0.15 0.00 0.71 0.00 0.00 52.55 53.15 1wyq s ASP 85 Cb -0.03 -0.12 0.88 0.00 1.01 0.00 0.00 42.92 44.66 1wyq s ASP 85 CO 0.26 0.03 1.30 -0.81 0.21 0.00 0.00 175.17 176.15 1wyq n PRO 86 N 1.07 0.49 -0.05 8.23 -0.04 -1.26 -2.35 135.00 141.09 1wyq n PRO 86 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 1wyq n PRO 86 Cb 0.54 -1.47 -0.05 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 -0.97 0.74 -0.05 0.54 0.28 -1.26 -4.16 120.64 115.76 1wyq n GLU 87 Ca 0.11 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 57.03 1wyq n GLU 87 Cb 0.05 -1.21 -0.07 0.00 1.43 0.00 0.00 31.44 31.64 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 0.33 0.09 -1.84 5.19 -1.93 -3.31 116.42 114.96 1wyq h ASP 88 Ca -0.24 -0.45 -0.00 0.00 -0.62 0.00 0.00 57.03 55.72 1wyq h ASP 88 Cb 1.40 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1wyq h ASP 88 CO -0.03 0.72 -0.05 0.58 -3.12 0.00 0.00 179.24 177.34 1wyq h VAL 89 N -0.05 1.11 -0.21 -1.35 2.07 -1.74 -3.39 116.25 112.69 1wyq h VAL 89 Ca 0.03 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1wyq h VAL 89 Cb 0.61 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1wyq h VAL 89 CO 0.03 0.20 0.24 -3.20 0.02 0.00 0.00 177.57 174.86 1wyq n ASN 90 N -4.97 1.15 -3.80 0.57 5.15 -1.25 -4.46 115.26 107.66 1wyq n ASN 90 Ca -0.08 -1.73 -0.09 0.00 -0.60 0.00 0.00 54.58 52.07 1wyq n ASN 90 Cb 0.22 -1.53 -0.04 0.00 -0.53 0.00 0.00 39.78 37.90 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wyq s VAL 91 N 13.63 0.02 0.14 3.44 0.11 -1.26 -4.88 120.40 131.60 1wyq s VAL 91 Ca 0.88 -0.91 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1wyq s VAL 91 Cb -0.16 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1wyq s VAL 91 CO 0.16 -0.09 1.61 0.44 -3.33 0.00 0.00 175.10 173.89 1wyq h ASP 92 N 2.19 -0.99 -2.77 3.54 5.19 -1.96 -3.35 116.42 118.28 1wyq h ASP 92 Ca -0.27 0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 55.69 1wyq h ASP 92 Cb 1.26 0.43 -0.39 0.00 0.18 0.00 0.00 39.33 40.81 1wyq h ASP 92 CO 0.36 -0.34 -0.84 -1.10 -3.12 0.00 0.00 179.24 174.20 1wyq s GLN 93 N -6.01 1.16 1.07 3.56 -0.21 -1.26 -4.75 119.66 113.22 1wyq s GLN 93 Ca -0.15 -2.12 -0.18 0.00 0.02 0.00 0.00 55.36 52.93 1wyq s GLN 93 Cb 0.11 -1.90 0.27 0.00 1.00 0.00 0.00 33.01 32.49 1wyq s GLN 93 CO 0.67 -1.29 0.94 -0.35 -2.12 0.00 0.00 175.29 173.14 1wyq n PRO 94 N 3.10 -2.88 -3.18 2.91 -0.04 -1.26 -4.98 135.00 128.68 1wyq n PRO 94 Ca 0.20 -1.51 -0.44 0.00 -0.04 0.00 0.00 63.50 61.71 1wyq n PRO 94 Cb 0.41 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 1wyq n PRO 94 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wyq s ASP 95 N -4.05 6.22 0.16 3.54 2.15 -1.26 -4.86 116.67 118.57 1wyq s ASP 95 Ca 0.61 -0.97 -0.15 0.00 0.43 0.00 0.00 52.55 52.47 1wyq s ASP 95 Cb -0.06 -2.28 0.09 0.00 -0.30 0.00 0.00 42.92 40.37 1wyq s ASP 95 CO 0.47 -0.88 1.74 1.05 -0.17 0.00 0.00 175.17 177.38 1wyq h GLU 96 N 8.98 0.24 -0.55 4.34 4.11 -1.94 -1.83 114.58 127.93 1wyq h GLU 96 Ca -0.28 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.22 1wyq h GLU 96 Cb 1.10 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1wyq h GLU 96 CO 0.96 0.16 0.18 0.87 0.07 0.00 0.00 179.01 181.25 1wyq h LYS 97 N 0.25 0.34 0.00 1.06 1.79 -1.92 0.53 116.57 118.62 1wyq h LYS 97 Ca 0.18 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1wyq h LYS 97 Cb 0.19 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1wyq h LYS 97 CO -0.22 0.22 0.00 0.45 -1.08 0.00 0.00 179.45 178.83 1wyq n SER 98 N -5.03 0.00 -0.11 0.86 2.88 -0.85 -2.62 113.62 108.76 1wyq n SER 98 Ca 0.07 0.48 -0.15 0.00 -1.33 0.00 0.00 58.87 57.94 1wyq n SER 98 Cb 0.24 -0.49 -0.14 0.00 -0.75 0.00 0.00 64.21 63.08 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 -1.49 1.45 -0.12 2.46 5.41 0.10 -4.28 119.36 122.89 1wyq n ILE 99 Ca 0.04 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1wyq n ILE 99 Cb 0.16 -1.02 0.27 0.00 -0.71 0.00 0.00 39.64 38.34 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 0.00 1.19 -0.48 1.39 2.04 0.10 -1.68 117.51 120.06 1wyq h ILE 100 Ca -0.56 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1wyq h ILE 100 Cb 2.05 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1wyq h ILE 100 CO -0.04 0.22 0.25 0.74 0.00 0.00 0.00 178.15 179.32 1wyq h THR 101 N 0.80 1.18 0.51 -0.27 2.02 -1.74 -1.23 112.91 114.18 1wyq h THR 101 Ca 0.20 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1wyq h THR 101 Cb 0.07 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1wyq h THR 101 CO -0.03 0.19 -0.24 0.22 0.37 0.00 0.00 175.52 176.03 1wyq h TYR 102 N 0.63 -0.63 -1.17 3.16 5.03 -1.66 -3.12 116.97 119.21 1wyq h TYR 102 Ca 0.17 -0.01 0.33 0.00 2.58 0.00 0.00 58.73 61.80 1wyq h TYR 102 Cb 0.08 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.51 1wyq h TYR 102 CO -0.01 -0.39 0.82 -0.24 -1.32 0.00 0.00 178.16 177.01 1wyq h VAL 103 N -0.97 0.41 -0.81 1.81 3.04 -1.36 0.41 116.25 118.78 1wyq h VAL 103 Ca -0.07 -0.04 0.09 0.00 -1.01 0.00 0.00 66.70 65.67 1wyq h VAL 103 Cb 0.52 0.29 -0.06 0.00 -2.01 0.00 0.00 31.29 30.04 1wyq h VAL 103 CO 0.11 0.02 0.53 0.00 -1.01 0.00 0.00 177.57 177.22 1wyq h ALA 104 N 1.47 1.71 -0.48 3.17 0.00 -1.15 -0.60 119.26 123.37 1wyq h ALA 104 Ca 0.60 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.59 1wyq h ALA 104 Cb 2.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1wyq h ALA 104 CO -0.11 0.13 0.33 1.79 0.00 0.00 0.00 179.25 181.39 1wyq h THR 105 N 0.78 0.88 -0.09 0.00 1.35 -0.21 0.47 112.91 116.09 1wyq h THR 105 Ca 0.37 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 66.13 1wyq h THR 105 Cb 0.39 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1wyq h THR 105 CO -0.14 0.04 -0.02 1.88 -0.25 0.00 0.00 175.52 177.04 1wyq h TYR 106 N 0.24 0.20 0.06 4.73 -1.99 -1.21 -0.59 116.97 118.42 1wyq h TYR 106 Ca 0.22 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1wyq h TYR 106 Cb 0.56 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1wyq h TYR 106 CO -0.00 0.48 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.69 1wyq h TYR 107 N -0.14 -0.07 0.54 4.88 3.20 -1.35 -2.51 116.97 121.53 1wyq h TYR 107 Ca 0.02 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1wyq h TYR 107 Cb 0.41 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1wyq h TYR 107 CO 0.05 0.29 -0.41 0.45 -1.64 0.00 0.00 178.16 176.90 1wyq h HIS 108 N -0.45 -1.12 -0.13 -3.82 3.86 -1.00 0.37 115.15 112.87 1wyq h HIS 108 Ca -0.01 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1wyq h HIS 108 Cb 0.40 0.42 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1wyq h HIS 108 CO 0.05 -0.58 -0.16 -0.92 0.86 0.00 0.00 177.93 177.18 1wyq h TYR 109 N -0.92 -0.48 -0.85 2.45 5.03 -1.20 0.88 116.97 121.88 1wyq h TYR 109 Ca -0.07 0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.42 1wyq h TYR 109 Cb 0.76 0.23 -0.10 0.00 1.55 0.00 0.00 36.73 39.17 1wyq h TYR 109 CO -0.14 -0.13 0.42 0.74 -1.32 0.00 0.00 178.16 177.72 1wyq h PHE 110 N -0.10 0.72 -0.58 -3.82 0.04 -1.47 -0.66 116.94 111.07 1wyq h PHE 110 Ca 0.02 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.92 1wyq h PHE 110 Cb 0.16 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.05 1wyq h PHE 110 CO -0.66 0.12 0.21 0.77 -0.60 0.00 0.00 178.31 178.16 1wyq h SER 111 N 0.56 0.21 -0.78 2.17 0.02 0.12 -2.66 113.55 113.19 1wyq h SER 111 Ca 0.48 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.58 1wyq h SER 111 Cb 0.74 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 63.23 1wyq h SER 111 CO -0.40 0.13 -0.56 0.11 -1.14 0.00 0.00 176.83 174.97 1wyq h LYS 112 N 0.39 -0.14 -6.18 3.45 1.79 0.74 -3.40 116.57 113.22 1wyq h LYS 112 Ca 0.29 0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 58.14 1wyq h LYS 112 Cb 0.35 0.03 0.12 0.00 -1.58 0.00 0.00 32.23 31.16 1wyq h LYS 112 CO -0.29 -0.09 -0.41 -1.33 -1.08 0.00 0.00 179.45 176.24 1wyq n MET 113 N -5.32 0.43 -1.54 3.15 2.81 -1.00 -4.62 117.12 111.03 1wyq n MET 113 Ca 0.01 0.15 -0.21 0.00 -1.81 0.00 0.00 57.70 55.84 1wyq n MET 113 Cb 0.30 -1.30 -0.10 0.00 -0.71 0.00 0.00 33.22 31.40 1wyq n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1wyq n LYS 114 N 0.89 0.48 -4.49 0.03 4.01 -1.26 -4.88 118.16 112.95 1wyq n LYS 114 Ca 0.14 -0.46 -0.22 0.00 -0.51 0.00 0.00 58.31 57.26 1wyq n LYS 114 Cb 0.32 -2.92 -0.14 0.00 -0.51 0.00 0.00 35.03 31.78 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wyq s ALA 115 N 10.81 1.28 0.52 7.82 0.00 -1.26 -5.16 121.76 135.77 1wyq s ALA 115 Ca 1.05 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1wyq s ALA 115 Cb -0.37 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1wyq s ALA 115 CO 0.25 0.27 0.16 -0.48 0.00 0.00 0.00 175.76 175.96 1wyq s LEU 116 N -0.92 2.49 0.06 0.00 -0.00 -1.26 -5.10 118.68 113.94 1wyq s LEU 116 Ca 0.04 -1.47 -0.28 0.00 -0.00 0.00 0.00 54.13 52.42 1wyq s LEU 116 Cb -0.07 -0.94 0.10 0.00 -0.00 0.00 0.00 46.19 45.27 1wyq s LEU 116 CO 0.01 -0.93 1.15 0.00 -0.00 0.00 0.00 176.35 176.58 1wyq s ALA 117 N -2.82 -1.99 -0.07 1.48 0.00 -1.26 -5.15 121.76 111.94 1wyq s ALA 117 Ca 0.18 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 1wyq s ALA 117 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1wyq s ALA 117 CO 0.11 -1.06 0.53 0.54 0.00 0.00 0.00 175.76 175.88 1wyq s VAL 118 N -2.73 5.08 0.08 0.00 0.11 -1.26 -5.08 120.40 116.60 1wyq s VAL 118 Ca 0.14 1.07 0.08 0.00 -2.93 0.00 0.00 61.98 60.34 1wyq s VAL 118 Cb 0.02 -3.86 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1wyq s VAL 118 CO -0.01 0.37 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.23 1wyq s GLU 119 N 0.23 1.21 -0.29 1.54 2.12 -1.26 -5.01 118.70 117.23 1wyq s GLU 119 Ca 0.28 -1.06 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 1wyq s GLU 119 Cb -0.16 -1.41 0.18 0.00 0.26 0.00 0.00 34.13 33.00 1wyq s GLU 119 CO 0.13 0.34 0.58 0.20 -0.54 0.00 0.00 175.26 175.97 1wyq s GLY 120 N -1.59 -0.91 0.17 -1.50 0.00 -1.26 -5.16 107.32 97.06 1wyq s GLY 120 Ca 0.06 1.80 0.03 0.00 0.00 0.00 0.00 44.72 46.62 1wyq s GLY 120 CO 0.03 3.27 0.16 0.58 0.00 0.00 0.00 173.10 177.15 1wyq n LYS 121 N 5.43 0.23 -4.41 2.90 -0.00 -1.26 -4.82 118.16 116.23 1wyq n LYS 121 Ca -0.02 -1.65 -0.20 0.00 -0.00 0.00 0.00 58.31 56.43 1wyq n LYS 121 Cb 0.51 1.39 -0.10 0.00 -0.00 0.00 0.00 35.03 36.83 1wyq n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wyq s SER 122 N -2.17 2.08 0.00 -5.58 0.15 -1.26 -5.14 113.70 101.77 1wyq s SER 122 Ca 0.19 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1wyq s SER 122 Cb 0.01 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1wyq s SER 122 CO 0.14 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1wyq n GLY 123 N -0.60 -0.79 3.77 9.45 0.00 -1.26 -4.92 105.19 110.84 1wyq n GLY 123 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.43 0.23 1.61 0.04 -1.26 -5.07 135.00 132.98 1wyq s PRO 124 Ca 0.00 1.24 0.10 0.00 0.04 0.00 0.00 61.00 62.38 1wyq s PRO 124 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1wyq s PRO 124 CO 0.00 -1.52 -0.19 -1.54 0.04 0.00 0.00 177.00 173.79 1wyq s SER 125 N -3.13 3.18 0.23 6.66 1.04 -1.26 -5.15 113.70 115.26 1wyq s SER 125 Ca 0.63 -0.99 0.07 0.00 0.48 0.00 0.00 55.95 56.14 1wyq s SER 125 Cb -0.18 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1wyq s SER 125 CO 0.51 -0.02 0.18 -0.55 0.98 0.00 0.00 173.24 174.35 1wyq s SER 126 N -3.25 5.53 0.00 7.02 0.15 -1.26 -5.29 113.70 116.60 1wyq s SER 126 Ca 0.25 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1wyq s SER 126 Cb -0.04 -1.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 1wyq s SER 126 CO 0.11 -0.01 0.52 0.61 1.20 0.00 0.00 173.24 175.67