#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 7.39 -0.26 1.61 1.04 -1.26 -4.98 113.70 117.24 1wyq s SER 2 Ca 0.00 1.65 -0.08 0.00 0.48 0.00 0.00 55.95 57.99 1wyq s SER 2 Cb 0.00 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.48 1wyq s SER 2 CO 0.00 0.13 -0.30 -1.20 0.98 0.00 0.00 173.24 172.85 1wyq n SER 3 N 2.00 1.93 0.00 7.02 7.64 -1.26 -4.79 113.62 126.16 1wyq n SER 3 Ca -0.04 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wyq n SER 3 Cb 0.49 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyq n GLY 4 N 1.69 -1.90 3.50 0.23 0.00 -1.26 -5.00 105.19 102.45 1wyq n GLY 4 Ca -0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.97 -0.09 -0.69 1.61 0.01 -1.26 -5.08 113.70 106.22 1wyq s SER 5 Ca 0.00 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.14 1wyq s SER 5 Cb 0.00 0.54 -0.14 0.00 0.21 0.00 0.00 66.02 66.63 1wyq s SER 5 CO 0.00 -1.05 2.51 -0.24 0.41 0.00 0.00 173.24 174.87 1wyq n SER 6 N -0.33 1.39 -4.69 2.44 2.88 -1.26 -4.86 113.62 109.20 1wyq n SER 6 Ca -0.05 -0.08 -0.42 0.00 -1.33 0.00 0.00 58.87 56.99 1wyq n SER 6 Cb 0.62 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 1wyq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyq s GLY 7 N 10.15 1.94 0.98 0.46 0.00 -1.26 -5.02 107.32 114.59 1wyq s GLY 7 Ca 1.16 0.76 -0.13 0.00 0.00 0.00 0.00 44.72 46.51 1wyq s GLY 7 CO 0.39 2.40 1.13 0.00 0.00 0.00 0.00 173.10 177.02 1wyq s ALA 8 N 2.39 1.33 -0.06 3.20 0.00 -1.26 -4.98 121.76 122.38 1wyq s ALA 8 Ca 0.60 -0.56 0.13 0.00 0.00 0.00 0.00 51.96 52.14 1wyq s ALA 8 Cb -0.28 -3.03 -0.15 0.00 0.00 0.00 0.00 23.12 19.66 1wyq s ALA 8 CO 0.24 -2.67 0.97 1.57 0.00 0.00 0.00 175.76 175.87 1wyq h LYS 9 N -1.79 0.00 0.34 0.00 2.10 -2.00 -3.38 116.57 111.83 1wyq h LYS 9 Ca -0.51 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 1wyq h LYS 9 Cb 1.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 1wyq h LYS 9 CO 0.56 0.52 -0.45 -0.44 -2.00 0.00 0.00 179.45 177.64 1wyq h ASP 10 N 0.00 -1.28 -0.87 7.07 5.19 -1.99 0.06 116.42 124.59 1wyq h ASP 10 Ca -0.14 0.11 0.19 0.00 -0.62 0.00 0.00 57.03 56.57 1wyq h ASP 10 Cb 1.72 0.44 -0.16 0.00 0.18 0.00 0.00 39.33 41.50 1wyq h ASP 10 CO 0.08 -0.56 -0.15 0.00 -3.12 0.00 0.00 179.24 175.48 1wyq h ALA 11 N -0.90 0.69 -0.63 3.45 0.00 -1.99 0.40 119.26 120.27 1wyq h ALA 11 Ca -0.04 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1wyq h ALA 11 Cb 0.74 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1wyq h ALA 11 CO -0.12 -0.42 0.33 1.25 0.00 0.00 0.00 179.25 180.29 1wyq h LEU 12 N 0.02 0.80 -0.74 0.00 5.85 -1.62 -2.68 115.31 116.94 1wyq h LEU 12 Ca 0.44 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1wyq h LEU 12 Cb 0.73 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 1wyq h LEU 12 CO -0.87 0.68 0.33 0.25 -0.34 0.00 0.00 178.44 178.49 1wyq h LEU 13 N 0.86 0.37 -0.06 2.25 5.85 0.18 -1.66 115.31 123.10 1wyq h LEU 13 Ca 0.22 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1wyq h LEU 13 Cb 0.07 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1wyq h LEU 13 CO -0.03 0.17 0.04 0.25 -0.34 0.00 0.00 178.44 178.53 1wyq h LEU 14 N 0.52 0.07 0.18 2.25 5.85 -1.00 -2.06 115.31 121.11 1wyq h LEU 14 Ca 0.39 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 1wyq h LEU 14 Cb 0.53 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1wyq h LEU 14 CO -0.35 0.06 -0.30 -0.25 -0.34 0.00 0.00 178.44 177.26 1wyq h TRP 15 N 0.07 -0.85 -1.10 1.25 7.01 -1.11 0.95 115.95 122.16 1wyq h TRP 15 Ca 0.02 0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.35 1wyq h TRP 15 Cb 0.00 0.34 -0.11 0.00 -2.10 0.00 0.00 29.16 27.30 1wyq h TRP 15 CO -0.07 -0.37 0.70 0.00 -2.79 0.00 0.00 178.44 175.91 1wyq h GLN 17 N 0.32 0.87 -0.32 0.00 4.20 -0.57 0.31 115.11 119.92 1wyq h GLN 17 Ca 0.67 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1wyq h GLN 17 Cb 1.78 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.54 1wyq h GLN 17 CO -0.38 1.07 0.21 0.52 -0.67 0.00 0.00 178.83 179.58 1wyq h MET 18 N 0.72 0.42 0.16 1.46 2.86 0.25 0.20 114.93 121.01 1wyq h MET 18 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1wyq h MET 18 Cb 0.90 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1wyq h MET 18 CO 0.08 0.28 -0.08 0.87 1.06 0.00 0.00 176.91 179.13 1wyq h LYS 19 N 0.43 -0.21 -0.15 1.72 1.79 -1.35 -3.18 116.57 115.62 1wyq h LYS 19 Ca 0.12 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1wyq h LYS 19 Cb -0.04 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1wyq h LYS 19 CO -0.02 0.22 0.19 1.79 -1.08 0.00 0.00 179.45 180.54 1wyq h THR 20 N -0.84 0.39 -0.69 -0.16 1.35 -0.93 -2.54 112.91 109.49 1wyq h THR 20 Ca -0.02 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.97 1wyq h THR 20 Cb 0.53 0.84 -0.13 0.00 -1.73 0.00 0.00 68.15 67.66 1wyq h THR 20 CO 0.04 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.10 1wyq h ALA 21 N 1.75 0.38 -1.40 6.62 0.00 -0.58 0.21 119.26 126.25 1wyq h ALA 21 Ca 0.07 0.26 0.46 0.00 0.00 0.00 0.00 54.91 55.69 1wyq h ALA 21 Cb 0.45 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1wyq h ALA 21 CO -0.00 -0.46 0.91 0.78 0.00 0.00 0.00 179.25 180.48 1wyq h GLY 22 N -0.03 1.18 -7.25 0.00 0.00 -1.62 -3.35 103.07 92.00 1wyq h GLY 22 Ca 0.32 -0.10 -0.62 0.00 0.00 0.00 0.00 47.33 46.93 1wyq h GLY 22 CO -0.72 -0.38 -0.41 -0.19 0.00 0.00 0.00 176.54 174.85 1wyq s TYR 23 N -5.24 3.28 0.30 5.60 1.51 0.75 -4.97 117.35 118.58 1wyq s TYR 23 Ca -0.07 0.29 0.14 0.00 -1.01 0.00 0.00 57.07 56.42 1wyq s TYR 23 Cb 0.30 -2.40 0.63 0.00 -0.11 0.00 0.00 41.96 40.38 1wyq s TYR 23 CO 0.83 -0.07 1.75 -1.00 -1.11 0.00 0.00 175.55 175.95 1wyq h PRO 24 N 7.87 0.00 -0.43 -1.71 0.13 -1.80 -2.62 132.00 133.44 1wyq h PRO 24 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1wyq h PRO 24 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wyq h PRO 24 CO 0.63 0.44 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 1wyq n ASN 25 N -3.86 1.76 -3.77 1.44 4.13 -1.26 -4.73 115.26 108.96 1wyq n ASN 25 Ca -0.01 -2.09 -0.23 0.00 1.68 0.00 0.00 54.58 53.92 1wyq n ASN 25 Cb 0.49 -0.28 -0.18 0.00 -1.54 0.00 0.00 39.78 38.27 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wyq s VAL 26 N -1.64 0.40 -0.19 2.41 1.01 -0.99 -4.96 120.40 116.44 1wyq s VAL 26 Ca 0.18 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1wyq s VAL 26 Cb 0.11 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 36.01 1wyq s VAL 26 CO 0.10 0.25 0.20 0.20 0.00 0.00 0.00 175.10 175.85 1wyq s ASN 27 N 1.96 1.49 -1.59 3.32 0.01 -1.26 -4.44 114.94 114.43 1wyq s ASN 27 Ca 0.05 -0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 51.85 1wyq s ASN 27 Cb -0.12 0.27 -0.06 0.00 0.41 0.00 0.00 41.25 41.75 1wyq s ASN 27 CO -0.05 -0.33 2.87 0.52 -1.51 0.00 0.00 177.10 178.60 1wyq n VAL 28 N 5.31 4.38 0.72 1.60 0.31 -1.26 -4.58 118.33 124.81 1wyq n VAL 28 Ca -0.06 -2.79 0.08 0.00 -0.01 0.00 0.00 64.34 61.56 1wyq n VAL 28 Cb 0.49 -2.56 0.40 0.00 -0.91 0.00 0.00 33.84 31.26 1wyq n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wyq n HIS 29 N 3.51 0.00 -3.69 3.52 1.44 -1.26 -4.76 115.22 113.98 1wyq n HIS 29 Ca 0.76 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 56.41 1wyq n HIS 29 Cb 0.24 -0.34 0.02 0.00 0.12 0.00 0.00 29.99 30.03 1wyq n HIS 29 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1wyq n ASN 30 N -1.34 -1.77 -0.79 4.39 2.04 -1.26 -5.05 115.26 111.47 1wyq n ASN 30 Ca 0.07 -2.17 0.03 0.00 -0.44 0.00 0.00 54.58 52.07 1wyq n ASN 30 Cb 0.15 2.94 0.20 0.00 -2.53 0.00 0.00 39.78 40.54 1wyq n ASN 30 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1wyq n PHE 31 N -0.48 0.56 0.02 -2.53 3.72 -1.26 -4.42 117.46 113.08 1wyq n PHE 31 Ca -0.06 -1.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.94 1wyq n PHE 31 Cb 0.48 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.10 0.08 0.24 4.37 -2.24 -1.26 -3.94 114.28 110.42 1wyq n THR 32 Ca 0.25 0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 62.04 1wyq n THR 32 Cb 0.85 -0.46 0.12 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.67 1.33 -0.02 4.28 -2.24 -1.26 -3.28 114.28 110.42 1wyq n THR 33 Ca 0.00 -0.60 0.02 0.00 -2.27 0.00 0.00 64.05 61.20 1wyq n THR 33 Cb 0.00 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.11 2.62 0.00 3.42 2.88 -1.26 -4.59 113.62 116.79 1wyq n SER 34 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1wyq n SER 34 Cb 0.73 1.21 0.00 0.00 -0.75 0.00 0.00 64.21 65.40 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 -2.04 0.00 0.42 0.66 7.02 -1.23 -4.28 117.44 117.98 1wyq n TRP 35 Ca -0.07 -0.44 -0.19 0.00 -1.02 0.00 0.00 57.50 55.78 1wyq n TRP 35 Cb 0.47 -0.04 -0.10 0.00 -2.42 0.00 0.00 31.31 29.22 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 -1.12 0.05 -0.99 2.43 -1.80 -3.16 114.38 109.80 1wyq h ARG 36 Ca 0.00 0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1wyq h ARG 36 Cb 0.54 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1wyq h ARG 36 CO 0.00 -0.74 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.25 1wyq h ASP 37 N -1.16 -0.06 0.00 -3.80 5.19 -1.91 -3.29 116.42 111.39 1wyq h ASP 37 Ca -0.10 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1wyq h ASP 37 Cb 0.93 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1wyq h ASP 37 CO 0.10 -0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.82 1wyq n GLY 38 N -1.01 1.10 0.39 2.75 0.00 -1.19 -4.27 105.19 102.97 1wyq n GLY 38 Ca -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.96 -0.29 0.99 4.77 -1.26 -0.57 117.00 119.68 1wyq n LEU 39 Ca 0.00 1.67 -0.04 0.00 -0.03 0.00 0.00 56.01 57.62 1wyq n LEU 39 Cb 0.00 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1wyq n LEU 39 CO 0.00 -1.38 0.39 0.00 -1.33 0.00 0.00 177.39 175.07 1wyq n ALA 40 N -3.31 -0.25 -0.22 -1.18 0.00 -1.26 0.16 120.51 114.45 1wyq n ALA 40 Ca 0.03 0.67 -0.03 0.00 0.00 0.00 0.00 53.44 54.11 1wyq n ALA 40 Cb 0.26 -0.22 0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 0.65 0.00 0.00 0.04 -1.15 0.14 116.94 116.62 1wyq h PHE 41 Ca 0.19 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1wyq h PHE 41 Cb 0.37 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1wyq h PHE 41 CO -0.68 0.32 0.00 0.09 -0.60 0.00 0.00 178.31 177.44 1wyq n ASN 42 N -4.79 0.00 -0.09 2.17 3.02 0.42 -2.50 115.26 113.49 1wyq n ASN 42 Ca 0.07 -0.63 -0.13 0.00 -0.03 0.00 0.00 54.58 53.86 1wyq n ASN 42 Cb 0.15 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.97 1.44 -0.02 5.41 0.00 0.46 -3.70 120.51 123.12 1wyq n ALA 43 Ca 0.13 -1.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 1wyq n ALA 43 Cb 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 1.33 0.45 0.00 2.04 -1.16 -3.11 117.51 117.06 1wyq h ILE 44 Ca -0.52 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 1wyq h ILE 44 Cb 2.11 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1wyq h ILE 44 CO 0.01 0.28 -0.21 0.58 0.00 0.00 0.00 178.15 178.81 1wyq h VAL 45 N -0.27 0.00 -1.32 1.67 2.07 -1.78 -3.02 116.25 113.60 1wyq h VAL 45 Ca 0.01 -0.17 0.42 0.00 0.82 0.00 0.00 66.70 67.77 1wyq h VAL 45 Cb 0.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1wyq h VAL 45 CO 0.01 0.00 0.90 1.57 0.02 0.00 0.00 177.57 180.07 1wyq n HIS 46 N -4.09 0.31 -0.07 1.57 -0.00 -1.24 0.23 115.22 111.93 1wyq n HIS 46 Ca -0.07 0.31 -0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1wyq n HIS 46 Cb 0.24 -0.72 -0.05 0.00 -0.00 0.00 0.00 29.99 29.46 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 0.37 0.07 1.57 1.63 -1.45 -1.51 116.57 117.25 1wyq h LYS 47 Ca 0.72 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 60.29 1wyq h LYS 47 Cb 2.60 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 34.22 1wyq h LYS 47 CO -0.21 0.58 -0.49 0.45 -3.45 0.00 0.00 179.45 176.33 1wyq h HIS 48 N 0.12 0.35 -2.86 1.91 3.86 0.30 -3.41 115.15 115.43 1wyq h HIS 48 Ca 0.06 -0.24 -0.61 0.00 -1.16 0.00 0.00 60.37 58.41 1wyq h HIS 48 Cb 0.42 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.47 1wyq h HIS 48 CO 0.04 1.16 -0.75 1.03 0.86 0.00 0.00 177.93 180.27 1wyq s ARG 49 N -2.52 1.58 0.00 2.45 1.81 0.95 -4.94 118.95 118.29 1wyq s ARG 49 Ca -0.15 -2.49 0.12 0.00 -1.72 0.00 0.00 55.73 51.49 1wyq s ARG 49 Cb -0.00 -2.46 0.71 0.00 -0.45 0.00 0.00 34.95 32.75 1wyq s ARG 49 CO 0.78 -1.26 1.14 -0.35 -0.68 0.00 0.00 175.30 174.93 1wyq n PRO 50 N 2.82 0.49 -0.02 3.54 -0.04 -0.57 -2.63 135.00 138.60 1wyq n PRO 50 Ca 0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.43 1wyq n PRO 50 Cb 0.38 -1.38 -0.14 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 -0.88 2.09 0.02 3.54 8.00 -1.26 -4.46 116.55 123.59 1wyq n ASP 51 Ca 0.09 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 1wyq n ASP 51 Cb 0.04 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.29 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 0.06 -1.20 -9.99 0.64 3.38 -1.91 -3.44 115.31 102.85 1wyq h LEU 52 Ca -0.45 0.14 -0.67 0.00 0.09 0.00 0.00 57.88 56.99 1wyq h LEU 52 Cb 2.02 0.46 -0.13 0.00 0.09 0.00 0.00 40.66 43.10 1wyq h LEU 52 CO 0.06 -0.36 -0.52 -1.48 0.09 0.00 0.00 178.44 176.23 1wyq s LEU 53 N -8.74 2.27 -0.33 1.67 2.34 -1.26 -5.13 118.68 109.50 1wyq s LEU 53 Ca -0.11 -1.66 -0.00 0.00 0.06 0.00 0.00 54.13 52.42 1wyq s LEU 53 Cb 0.05 -0.68 0.11 0.00 -0.56 0.00 0.00 46.19 45.10 1wyq s LEU 53 CO 0.43 -0.86 0.12 -1.81 -1.06 0.00 0.00 176.35 173.17 1wyq s ASP 54 N -3.86 3.95 0.19 1.48 1.11 -1.26 -4.77 116.67 113.50 1wyq s ASP 54 Ca 0.07 -1.82 -0.17 0.00 0.18 0.00 0.00 52.55 50.81 1wyq s ASP 54 Cb 0.02 -0.88 0.16 0.00 1.07 0.00 0.00 42.92 43.28 1wyq s ASP 54 CO 0.04 -0.39 1.63 0.15 1.18 0.00 0.00 175.17 177.78 1wyq h PHE 55 N 7.83 -0.46 -0.01 4.23 3.57 -1.92 0.48 116.94 130.66 1wyq h PHE 55 Ca -0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wyq h PHE 55 Cb 1.00 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1wyq h PHE 55 CO 0.38 -0.28 0.01 0.93 -2.23 0.00 0.00 178.31 177.12 1wyq h GLU 56 N -0.07 0.00 0.00 1.11 5.08 -1.99 -2.26 114.58 116.46 1wyq h GLU 56 Ca 0.25 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.44 1wyq h GLU 56 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wyq h GLU 56 CO -0.57 0.00 -0.65 1.03 -1.00 0.00 0.00 179.01 177.82 1wyq h SER 57 N 0.00 0.57 -3.16 1.42 0.87 -0.58 -3.46 113.55 109.21 1wyq h SER 57 Ca 0.00 -0.76 -0.57 0.00 -1.23 0.00 0.00 61.79 59.24 1wyq h SER 57 Cb 0.02 -0.17 0.18 0.00 -0.44 0.00 0.00 62.40 61.99 1wyq h SER 57 CO -0.00 1.26 -0.39 0.18 -0.53 0.00 0.00 176.83 177.35 1wyq n LEU 58 N -4.18 0.86 -4.68 2.23 4.77 0.18 -4.98 117.00 111.20 1wyq n LEU 58 Ca -0.10 0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 56.15 1wyq n LEU 58 Cb 0.70 -1.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1wyq n LEU 58 CO 0.48 -3.08 -0.29 -0.54 -1.33 0.00 0.00 177.39 172.62 1wyq s LYS 59 N -2.61 3.15 -0.04 3.23 1.02 -1.26 -5.00 119.74 118.24 1wyq s LYS 59 Ca 0.66 -0.39 -0.25 0.00 0.02 0.00 0.00 55.97 56.01 1wyq s LYS 59 Cb -0.37 -2.87 -0.21 0.00 -0.52 0.00 0.00 37.83 33.86 1wyq s LYS 59 CO 0.57 0.64 1.16 -0.22 -0.92 0.00 0.00 175.35 176.58 1wyq h LYS 60 N 5.38 0.08 -0.51 1.68 1.63 -1.96 -3.30 116.57 119.57 1wyq h LYS 60 Ca -0.49 -0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.36 1wyq h LYS 60 Cb 1.19 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.73 1wyq h LYS 60 CO 0.57 0.67 -0.27 0.00 -3.45 0.00 0.00 179.45 176.97 1wyq s ASN 62 N -5.15 6.71 -0.26 0.00 3.04 -1.24 -4.90 114.94 113.15 1wyq s ASN 62 Ca -0.14 0.68 -0.07 0.00 0.04 0.00 0.00 52.86 53.36 1wyq s ASN 62 Cb 0.16 -2.45 -0.13 0.00 -1.54 0.00 0.00 41.25 37.28 1wyq s ASN 62 CO 0.70 -0.76 -0.29 0.00 -3.04 0.00 0.00 177.10 173.71 1wyq n ALA 63 N 6.55 1.37 -0.24 1.71 0.00 -1.26 -4.13 120.51 124.51 1wyq n ALA 63 Ca 0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 53.44 52.45 1wyq n ALA 63 Cb 0.48 0.07 0.07 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.58 -0.45 -0.48 0.00 6.17 -1.85 0.41 115.15 118.36 1wyq h HIS 64 Ca -0.62 0.06 -0.04 0.00 0.71 0.00 0.00 60.37 60.49 1wyq h HIS 64 Cb 1.69 0.31 -0.02 0.00 2.52 0.00 0.00 27.41 31.90 1wyq h HIS 64 CO -0.04 -0.32 0.15 -0.92 0.71 0.00 0.00 177.93 177.52 1wyq h TYR 65 N -0.02 0.72 -0.53 5.26 5.03 -1.93 -2.21 116.97 123.29 1wyq h TYR 65 Ca 0.32 -0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.52 1wyq h TYR 65 Cb 0.52 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1wyq h TYR 65 CO -0.58 0.59 0.04 -0.91 -1.32 0.00 0.00 178.16 175.98 1wyq h ASN 66 N 0.70 0.84 0.00 -2.11 2.35 -0.46 -2.63 115.58 114.26 1wyq h ASN 66 Ca 0.16 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1wyq h ASN 66 Cb 0.20 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1wyq h ASN 66 CO -0.01 0.88 0.00 0.18 -1.65 0.00 0.00 177.43 176.83 1wyq n LEU 67 N -4.22 0.10 -0.33 1.61 4.77 0.08 -2.82 117.00 116.18 1wyq n LEU 67 Ca 0.03 0.73 0.31 0.00 -0.03 0.00 0.00 56.01 57.06 1wyq n LEU 67 Cb 0.29 -0.46 0.56 0.00 -2.33 0.00 0.00 43.42 41.48 1wyq n LEU 67 CO 0.42 -0.46 1.01 0.00 -1.33 0.00 0.00 177.39 177.02 1wyq n GLN 68 N -1.89 -0.05 0.21 3.23 10.64 -0.88 0.70 117.38 129.34 1wyq n GLN 68 Ca 0.00 1.22 -0.15 0.00 -1.83 0.00 0.00 57.00 56.24 1wyq n GLN 68 Cb 0.00 -2.25 -0.08 0.00 -0.86 0.00 0.00 30.24 27.05 1wyq n GLN 68 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1wyq h ASN 69 N 0.00 -0.53 -0.19 2.61 -1.24 -1.50 0.03 115.58 114.76 1wyq h ASN 69 Ca 0.78 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.80 1wyq h ASN 69 Cb 2.21 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 41.41 1wyq h ASN 69 CO -0.62 -0.34 0.04 0.00 -1.29 0.00 0.00 177.43 175.22 1wyq h ALA 70 N 0.09 0.25 -0.90 1.57 0.00 0.44 0.16 119.26 120.87 1wyq h ALA 70 Ca -0.04 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1wyq h ALA 70 Cb 0.44 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1wyq h ALA 70 CO 0.04 -0.09 0.52 0.74 0.00 0.00 0.00 179.25 180.46 1wyq h PHE 71 N 0.11 0.94 0.02 0.00 0.04 -0.91 0.10 116.94 117.25 1wyq h PHE 71 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1wyq h PHE 71 Cb 0.29 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1wyq h PHE 71 CO 0.01 0.33 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.13 1wyq h ASN 72 N 0.81 -0.02 -0.06 2.17 2.35 -0.82 -3.04 115.58 116.96 1wyq h ASN 72 Ca 0.46 -0.71 0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1wyq h ASN 72 Cb 0.52 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1wyq h ASN 72 CO -0.29 0.73 -0.51 -0.07 -1.65 0.00 0.00 177.43 175.63 1wyq h LEU 73 N -0.81 -1.60 0.00 1.61 3.38 -0.32 0.54 115.31 118.11 1wyq h LEU 73 Ca -0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wyq h LEU 73 Cb 0.73 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1wyq h LEU 73 CO 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.04 1wyq n ALA 74 N -2.97 1.08 -0.03 1.53 0.00 -0.01 -0.52 120.51 119.60 1wyq n ALA 74 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wyq n ALA 74 Cb 0.39 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 1wyq n ALA 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wyq n GLU 75 N -1.50 0.66 -0.09 0.00 2.13 0.15 -0.23 120.64 121.76 1wyq n GLU 75 Ca 0.00 0.01 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 1wyq n GLU 75 Cb 0.02 -1.62 -0.03 0.00 0.27 0.00 0.00 31.44 30.08 1wyq n GLU 75 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1wyq n LYS 76 N -2.64 0.50 0.02 5.31 3.00 0.10 -3.57 118.16 120.88 1wyq n LYS 76 Ca -0.16 0.36 -0.01 0.00 -0.00 0.00 0.00 58.31 58.50 1wyq n LYS 76 Cb 0.86 -1.56 -0.00 0.00 0.00 0.00 0.00 35.03 34.33 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1wyq h GLU 77 N -1.00 -0.04 -0.55 1.64 4.39 -1.04 -3.32 114.58 114.66 1wyq h GLU 77 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1wyq h GLU 77 Cb 0.86 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1wyq h GLU 77 CO -0.04 -0.03 0.31 -0.07 -1.16 0.00 0.00 179.01 178.02 1wyq h LEU 78 N -0.05 0.68 -0.01 1.33 3.38 -1.67 -3.47 115.31 115.49 1wyq h LEU 78 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wyq h LEU 78 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1wyq h LEU 78 CO 0.01 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1wyq n GLY 79 N -1.06 1.59 3.80 0.83 0.00 -0.85 -4.99 105.19 104.51 1wyq n GLY 79 Ca 0.03 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 4.46 -0.50 0.99 1.43 0.68 -4.93 118.68 120.80 1wyq s LEU 80 Ca 0.00 1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 54.25 1wyq s LEU 80 Cb 0.00 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1wyq s LEU 80 CO 0.00 0.15 1.11 -0.89 0.23 0.00 0.00 176.35 176.95 1wyq s THR 81 N -1.31 4.22 -0.37 5.49 2.01 -1.26 -4.06 115.64 120.36 1wyq s THR 81 Ca 0.37 1.07 -0.38 0.00 0.31 0.00 0.00 61.69 63.06 1wyq s THR 81 Cb -0.19 -4.60 -0.14 0.00 0.01 0.00 0.00 72.50 67.58 1wyq s THR 81 CO 0.22 -1.05 2.10 0.29 -0.69 0.00 0.00 174.62 175.49 1wyq n LYS 82 N 7.84 0.87 -0.06 4.92 5.02 -1.26 -4.81 118.16 130.69 1wyq n LYS 82 Ca 0.10 0.25 -0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1wyq n LYS 82 Cb 0.49 -2.20 -0.14 0.00 -0.02 0.00 0.00 35.03 33.16 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 8.58 1.11 0.00 -0.35 4.77 -1.26 -4.99 117.00 124.86 1wyq n LEU 83 Ca 0.42 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 1wyq n LEU 83 Cb 0.16 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1wyq n LEU 83 CO 0.79 0.56 -0.01 0.18 -1.33 0.00 0.00 177.39 177.59 1wyq n LEU 84 N -3.04 0.00 -4.17 2.23 4.77 -1.26 -5.13 117.00 110.40 1wyq n LEU 84 Ca -0.28 -1.98 -0.15 0.00 -0.03 0.00 0.00 56.01 53.57 1wyq n LEU 84 Cb 1.08 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 42.10 1wyq n LEU 84 CO 0.42 -0.43 -0.43 -1.81 -1.33 0.00 0.00 177.39 173.81 1wyq s ASP 85 N -3.09 1.49 0.00 -1.43 1.11 -1.26 -5.02 116.67 108.46 1wyq s ASP 85 Ca 0.16 -0.74 0.15 0.00 0.18 0.00 0.00 52.55 52.29 1wyq s ASP 85 Cb -0.01 -0.01 0.91 0.00 1.07 0.00 0.00 42.92 44.88 1wyq s ASP 85 CO 0.10 -0.21 1.32 -0.81 1.18 0.00 0.00 175.17 176.75 1wyq n PRO 86 N 0.80 0.49 -0.06 8.23 -0.04 -1.26 -2.14 135.00 141.02 1wyq n PRO 86 Ca -0.18 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1wyq n PRO 86 Cb 0.57 -1.49 -0.07 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 -0.99 1.54 -0.00 0.54 0.28 -1.26 -4.22 120.64 116.53 1wyq n GLU 87 Ca 0.11 0.03 -0.17 0.00 -0.16 0.00 0.00 57.16 56.97 1wyq n GLU 87 Cb 0.05 -1.27 -0.11 0.00 1.43 0.00 0.00 31.44 31.54 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 0.44 0.24 -1.84 5.19 -1.91 -3.34 116.42 115.19 1wyq h ASP 88 Ca -0.29 -0.77 -0.01 0.00 -0.62 0.00 0.00 57.03 55.34 1wyq h ASP 88 Cb 1.57 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1wyq h ASP 88 CO -0.01 1.15 -0.11 0.58 -3.12 0.00 0.00 179.24 177.73 1wyq h VAL 89 N -0.23 0.81 -0.14 -1.35 2.07 -1.70 -3.37 116.25 112.34 1wyq h VAL 89 Ca -0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1wyq h VAL 89 Cb 1.23 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1wyq h VAL 89 CO 0.10 0.07 0.09 -3.20 0.02 0.00 0.00 177.57 174.65 1wyq n ASN 90 N -5.16 1.21 -3.75 0.57 2.85 -1.24 -4.61 115.26 105.13 1wyq n ASN 90 Ca -0.09 -2.17 -0.10 0.00 -0.11 0.00 0.00 54.58 52.11 1wyq n ASN 90 Cb 0.20 -1.64 -0.06 0.00 1.24 0.00 0.00 39.78 39.52 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wyq s VAL 91 N 15.70 0.11 0.14 3.44 0.11 -1.26 -4.92 120.40 133.72 1wyq s VAL 91 Ca 0.81 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 58.76 1wyq s VAL 91 Cb -0.08 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 1wyq s VAL 91 CO 0.16 -0.48 1.63 0.44 -3.33 0.00 0.00 175.10 173.52 1wyq h ASP 92 N 2.61 -0.83 -2.80 3.54 3.32 -1.95 -3.34 116.42 116.97 1wyq h ASP 92 Ca -0.34 0.14 -0.60 0.00 0.02 0.00 0.00 57.03 56.25 1wyq h ASP 92 Cb 1.22 0.37 -0.39 0.00 0.22 0.00 0.00 39.33 40.75 1wyq h ASP 92 CO 0.51 -0.30 -0.83 0.00 -1.72 0.00 0.00 179.24 176.91 1wyq s GLN 93 N -6.06 1.23 1.19 3.56 1.03 -1.26 -4.73 119.66 114.61 1wyq s GLN 93 Ca -0.15 -2.19 -0.19 0.00 0.04 0.00 0.00 55.36 52.87 1wyq s GLN 93 Cb 0.11 -1.99 0.28 0.00 0.03 0.00 0.00 33.01 31.45 1wyq s GLN 93 CO 0.67 -1.29 1.11 -1.25 -2.54 0.00 0.00 175.29 171.99 1wyq s PRO 94 N 0.00 -1.09 -0.79 9.60 0.04 -1.26 -4.95 135.00 136.56 1wyq s PRO 94 Ca 0.26 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 1wyq s PRO 94 Cb -0.08 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.92 1wyq s PRO 94 CO -0.11 -3.64 1.13 -0.51 0.04 0.00 0.00 177.00 173.91 1wyq s ASP 95 N -3.86 6.31 0.35 6.66 1.01 -1.26 -4.88 116.67 121.02 1wyq s ASP 95 Ca 0.70 -1.17 0.13 0.00 0.71 0.00 0.00 52.55 52.92 1wyq s ASP 95 Cb -0.10 -2.46 0.95 0.00 1.01 0.00 0.00 42.92 42.31 1wyq s ASP 95 CO 0.56 -1.45 1.77 1.05 0.21 0.00 0.00 175.17 177.31 1wyq h GLU 96 N 9.54 0.52 0.00 8.23 9.09 -1.93 0.64 114.58 140.67 1wyq h GLU 96 Ca -0.12 -0.03 -0.08 0.00 0.05 0.00 0.00 59.36 59.18 1wyq h GLU 96 Cb 1.05 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 1wyq h GLU 96 CO 1.22 0.35 -0.38 0.87 0.05 0.00 0.00 179.01 181.12 1wyq h LYS 97 N 0.54 0.00 0.00 1.06 1.79 -1.89 0.10 116.57 118.17 1wyq h LYS 97 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1wyq h LYS 97 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1wyq h LYS 97 CO -0.36 0.38 -0.01 0.77 -1.08 0.00 0.00 179.45 179.15 1wyq h SER 98 N 0.00 0.00 0.00 0.86 0.02 -0.14 -3.29 113.55 111.00 1wyq h SER 98 Ca -0.00 -0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.52 1wyq h SER 98 Cb 0.75 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1wyq h SER 98 CO 0.05 0.00 -2.32 -0.38 -1.14 0.00 0.00 176.83 173.04 1wyq n ILE 99 N -2.47 1.53 -0.36 3.27 5.41 -0.63 -4.07 119.36 122.05 1wyq n ILE 99 Ca 0.05 -0.36 0.29 0.00 1.00 0.00 0.00 62.75 63.74 1wyq n ILE 99 Cb 0.46 -1.85 0.59 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.86 0.38 -0.21 1.39 2.04 -0.94 0.37 117.51 119.68 1wyq h ILE 100 Ca -0.63 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.02 1wyq h ILE 100 Cb 1.61 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1wyq h ILE 100 CO -0.34 0.04 -0.38 0.74 0.00 0.00 0.00 178.15 178.21 1wyq h THR 101 N 0.24 1.32 0.57 -0.27 2.02 -1.76 -2.37 112.91 112.66 1wyq h THR 101 Ca 0.66 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 1wyq h THR 101 Cb 1.97 1.82 0.01 0.00 -1.74 0.00 0.00 68.15 70.21 1wyq h THR 101 CO -0.28 0.50 -0.27 0.22 0.37 0.00 0.00 175.52 176.05 1wyq h TYR 102 N 0.32 -0.71 -0.63 3.16 5.03 -0.53 -3.04 116.97 120.56 1wyq h TYR 102 Ca 0.01 -0.02 0.18 0.00 2.58 0.00 0.00 58.73 61.49 1wyq h TYR 102 Cb 0.98 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.47 1wyq h TYR 102 CO 0.09 -0.39 0.47 -0.24 -1.32 0.00 0.00 178.16 176.77 1wyq h VAL 103 N -1.10 0.63 -0.06 1.81 3.04 -1.02 0.18 116.25 119.72 1wyq h VAL 103 Ca -0.08 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1wyq h VAL 103 Cb 0.64 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1wyq h VAL 103 CO 0.13 0.00 0.05 0.00 -1.01 0.00 0.00 177.57 176.73 1wyq h ALA 104 N 1.65 2.03 0.00 3.17 0.00 -1.30 -0.71 119.26 124.10 1wyq h ALA 104 Ca 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1wyq h ALA 104 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1wyq h ALA 104 CO -0.00 -0.05 -0.20 1.79 0.00 0.00 0.00 179.25 180.80 1wyq h THR 105 N 0.02 0.85 -0.35 0.00 1.35 -0.67 -1.48 112.91 112.63 1wyq h THR 105 Ca 0.03 -0.75 -0.13 0.00 -0.55 0.00 0.00 66.41 65.01 1wyq h THR 105 Cb 0.09 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1wyq h THR 105 CO -0.00 0.19 -0.27 1.88 -0.25 0.00 0.00 175.52 177.07 1wyq h TYR 106 N 0.00 0.95 0.21 4.73 -1.99 -1.23 -1.79 116.97 117.85 1wyq h TYR 106 Ca -0.00 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.45 1wyq h TYR 106 Cb 0.42 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1wyq h TYR 106 CO 0.00 1.04 -0.10 -0.92 -0.00 0.00 0.00 178.16 178.18 1wyq h TYR 107 N 0.59 -0.27 -0.76 4.88 3.20 -1.50 -2.79 116.97 120.32 1wyq h TYR 107 Ca 0.07 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.09 1wyq h TYR 107 Cb 0.84 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 39.10 1wyq h TYR 107 CO 0.06 0.03 0.27 0.45 -1.64 0.00 0.00 178.16 177.33 1wyq h HIS 108 N -1.00 0.44 0.00 -3.82 3.86 -1.39 0.12 115.15 113.37 1wyq h HIS 108 Ca -0.03 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1wyq h HIS 108 Cb 0.42 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1wyq h HIS 108 CO 0.05 -0.00 0.00 0.98 0.86 0.00 0.00 177.93 179.82 1wyq n TYR 109 N -5.06 0.00 -0.37 2.45 9.36 -0.67 -1.50 117.16 121.37 1wyq n TYR 109 Ca 0.15 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.65 1wyq n TYR 109 Cb 0.46 -0.45 0.55 0.00 -0.63 0.00 0.00 39.34 39.26 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1wyq h PHE 110 N 0.00 0.67 -0.23 2.98 0.04 -1.33 0.25 116.94 119.33 1wyq h PHE 110 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1wyq h PHE 110 Cb 0.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1wyq h PHE 110 CO 0.18 -0.07 0.14 0.66 -0.60 0.00 0.00 178.31 178.62 1wyq h SER 111 N 0.28 0.27 -0.93 2.17 4.64 -0.58 -2.62 113.55 116.78 1wyq h SER 111 Ca 0.70 -0.04 0.25 0.00 -0.47 0.00 0.00 61.79 62.23 1wyq h SER 111 Cb 1.89 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.78 1wyq h SER 111 CO -0.39 0.23 0.42 0.11 -0.87 0.00 0.00 176.83 176.32 1wyq h LYS 112 N 0.28 0.34 -7.23 4.77 1.57 0.62 -3.41 116.57 113.51 1wyq h LYS 112 Ca 0.08 -0.02 -0.44 0.00 -1.87 0.00 0.00 60.65 58.40 1wyq h LYS 112 Cb 0.01 -0.08 0.19 0.00 0.08 0.00 0.00 32.23 32.44 1wyq h LYS 112 CO -0.02 0.22 0.07 -1.64 -0.57 0.00 0.00 179.45 177.52 1wyq s MET 113 N -5.83 -0.57 -1.46 3.15 -1.94 -0.99 -3.78 119.30 107.88 1wyq s MET 113 Ca -0.11 0.65 -0.06 0.00 -1.71 0.00 0.00 55.69 54.46 1wyq s MET 113 Cb 0.27 -1.61 0.05 0.00 2.01 0.00 0.00 34.83 35.54 1wyq s MET 113 CO 0.78 -3.44 0.67 1.63 -0.01 0.00 0.00 175.02 174.66 1wyq n LYS 114 N -4.69 -4.16 -4.12 2.03 4.76 -1.26 -4.95 118.16 105.77 1wyq n LYS 114 Ca 0.04 0.49 -0.16 0.00 -2.87 0.00 0.00 58.31 55.81 1wyq n LYS 114 Cb 0.56 -4.99 -0.05 0.00 -1.84 0.00 0.00 35.03 28.71 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wyq s ALA 115 N -3.63 0.97 0.08 7.82 0.00 -1.25 -5.14 121.76 120.61 1wyq s ALA 115 Ca 0.27 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1wyq s ALA 115 Cb -0.14 1.20 -0.06 0.00 0.00 0.00 0.00 23.12 24.12 1wyq s ALA 115 CO 0.86 -0.77 0.78 -0.48 0.00 0.00 0.00 175.76 176.15 1wyq s LEU 116 N -3.27 4.49 0.39 0.00 2.34 -1.26 -5.07 118.68 116.31 1wyq s LEU 116 Ca 0.32 1.53 0.08 0.00 0.06 0.00 0.00 54.13 56.12 1wyq s LEU 116 Cb -0.00 -3.28 -0.07 0.00 -0.56 0.00 0.00 46.19 42.28 1wyq s LEU 116 CO 0.22 0.06 0.02 0.00 -1.06 0.00 0.00 176.35 175.60 1wyq s ALA 117 N -0.36 3.21 -0.11 1.48 0.00 -1.26 -5.14 121.76 119.58 1wyq s ALA 117 Ca 0.38 -2.21 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 1wyq s ALA 117 Cb -0.21 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1wyq s ALA 117 CO 0.24 -0.08 0.43 0.08 0.00 0.00 0.00 175.76 176.43 1wyq s VAL 118 N -2.66 0.02 0.47 0.00 1.01 -1.26 -5.17 120.40 112.81 1wyq s VAL 118 Ca 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1wyq s VAL 118 Cb 0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wyq s VAL 118 CO 0.19 -0.07 0.77 -1.61 0.00 0.00 0.00 175.10 174.37 1wyq s GLU 119 N -0.36 3.50 0.00 2.72 8.01 -1.26 -5.09 118.70 126.23 1wyq s GLU 119 Ca -0.05 0.13 0.00 0.00 0.01 0.00 0.00 54.97 55.06 1wyq s GLU 119 Cb -0.03 -2.40 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 1wyq s GLU 119 CO 0.03 -0.19 0.00 0.41 0.01 0.00 0.00 175.26 175.51 1wyq n GLY 120 N -2.23 2.00 2.89 -1.39 0.00 -1.26 -5.14 105.19 100.06 1wyq n GLY 120 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.98 0.35 0.21 1.61 2.20 -1.26 -5.04 119.74 115.83 1wyq s LYS 121 Ca 0.00 0.38 -0.22 0.00 -0.36 0.00 0.00 55.97 55.78 1wyq s LYS 121 Cb 0.00 -0.49 0.15 0.00 -1.51 0.00 0.00 37.83 35.97 1wyq s LYS 121 CO 0.00 -0.75 1.55 0.77 -0.36 0.00 0.00 175.35 176.55 1wyq h SER 122 N 8.19 -1.66 0.00 1.43 0.02 -2.07 -3.47 113.55 116.00 1wyq h SER 122 Ca -0.17 0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1wyq h SER 122 Cb 1.14 0.82 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1wyq h SER 122 CO 0.28 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1wyq n GLY 123 N -1.41 -1.68 0.00 -3.77 0.00 -1.26 -5.16 105.19 91.92 1wyq n GLY 123 Ca 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.19 -0.73 -3.60 1.61 -0.04 -1.26 -5.11 135.00 125.69 1wyq n PRO 124 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1wyq n PRO 124 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1wyq n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wyq s SER 125 N -1.51 -0.31 0.27 3.54 0.01 -1.26 -5.19 113.70 109.24 1wyq s SER 125 Ca 0.00 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 56.90 1wyq s SER 125 Cb 0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.70 1wyq s SER 125 CO 0.00 -0.77 0.68 -0.94 0.41 0.00 0.00 173.24 172.62 1wyq s SER 126 N -2.68 -0.26 0.00 2.44 1.04 -1.26 -5.35 113.70 107.63 1wyq s SER 126 Ca 0.07 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wyq s SER 126 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1wyq s SER 126 CO -0.05 -1.30 0.14 0.61 0.98 0.00 0.00 173.24 173.62