#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ymw s GLU 2 N 0.00 4.23 0.79 -1.58 2.12 -1.26 -5.00 118.70 118.00 1ymw s GLU 2 Ca 0.00 2.37 -0.10 0.00 0.36 0.00 0.00 54.97 57.59 1ymw s GLU 2 Cb 0.00 -3.10 0.07 0.00 0.26 0.00 0.00 34.13 31.36 1ymw s GLU 2 CO 0.00 -0.50 1.10 0.95 -0.54 0.00 0.00 175.26 176.27 1ymw s THR 3 N 0.20 3.16 0.17 -1.70 -4.23 -1.26 -4.82 115.64 107.16 1ymw s THR 3 Ca 0.62 0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 61.38 1ymw s THR 3 Cb -0.43 -2.81 0.07 0.00 1.34 0.00 0.00 72.50 70.67 1ymw s THR 3 CO 0.42 -0.49 1.78 0.00 -0.54 0.00 0.00 174.62 175.78 1ymw h ALA 4 N -1.23 0.72 -0.57 3.99 0.00 -1.94 -0.69 119.26 119.54 1ymw h ALA 4 Ca -0.44 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ymw h ALA 4 Cb 1.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1ymw h ALA 4 CO 0.50 0.25 0.37 0.00 0.00 0.00 0.00 179.25 180.37 1ymw h ALA 5 N 1.13 0.73 -0.41 0.00 0.00 -1.89 -0.45 119.26 118.37 1ymw h ALA 5 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ymw h ALA 5 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ymw h ALA 5 CO -0.03 0.13 -0.21 0.00 0.00 0.00 0.00 179.25 179.14 1ymw h ALA 6 N 1.22 0.87 -0.62 0.00 0.00 -1.84 -2.14 119.26 116.75 1ymw h ALA 6 Ca 0.22 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1ymw h ALA 6 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ymw h ALA 6 CO -0.06 0.63 0.03 -0.22 0.00 0.00 0.00 179.25 179.63 1ymw h LYS 7 N 0.70 1.06 -0.45 0.00 3.64 -0.76 -1.26 116.57 119.50 1ymw h LYS 7 Ca 0.10 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ymw h LYS 7 Cb 0.72 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1ymw h LYS 7 CO 0.06 1.02 0.27 0.35 -2.27 0.00 0.00 179.45 178.87 1ymw h PHE 8 N 0.98 0.60 -0.20 1.91 3.04 -0.86 0.05 116.94 122.46 1ymw h PHE 8 Ca 0.18 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1ymw h PHE 8 Cb 0.52 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1ymw h PHE 8 CO 0.04 0.43 0.13 0.93 -2.02 0.00 0.00 178.31 177.81 1ymw h GLU 9 N 0.60 0.27 -0.57 1.11 5.08 -1.09 0.22 114.58 120.21 1ymw h GLU 9 Ca 0.16 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ymw h GLU 9 Cb 0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1ymw h GLU 9 CO -0.03 0.19 0.25 -0.09 -1.00 0.00 0.00 179.01 178.33 1ymw h ARG 10 N 0.26 0.83 0.03 2.33 2.43 -1.06 -1.56 114.38 117.65 1ymw h ARG 10 Ca 0.07 -0.14 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 1ymw h ARG 10 Cb -0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1ymw h ARG 10 CO -0.02 0.70 -0.99 1.96 -1.51 0.00 0.00 179.97 180.11 1ymw h GLN 11 N 0.77 0.22 -0.00 0.20 4.20 -0.84 -3.41 115.11 116.26 1ymw h GLN 11 Ca 0.19 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ymw h GLN 11 Cb 0.16 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ymw h GLN 11 CO -0.02 1.05 -0.00 0.72 -0.67 0.00 0.00 178.83 179.90 1ymw n HIS 12 N -3.60 0.00 -4.09 2.96 8.25 0.78 -4.66 115.22 114.86 1ymw n HIS 12 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 1ymw n HIS 12 Cb 0.88 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.90 1ymw n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ymw s MET 13 N -0.52 3.76 -0.46 -0.41 -1.94 -0.59 -0.03 119.30 119.12 1ymw s MET 13 Ca 0.00 -0.35 0.05 0.00 -1.71 0.00 0.00 55.69 53.68 1ymw s MET 13 Cb 0.00 -3.12 0.18 0.00 2.01 0.00 0.00 34.83 33.90 1ymw s MET 13 CO 0.01 0.38 0.51 0.34 -0.01 0.00 0.00 175.02 176.24 1ymw s ASP 14 N 0.07 0.17 0.00 3.03 2.15 -0.65 -4.85 116.67 116.58 1ymw s ASP 14 Ca 0.05 -2.48 0.24 0.00 0.43 0.00 0.00 52.55 50.78 1ymw s ASP 14 Cb -0.12 0.58 1.21 0.00 -0.30 0.00 0.00 42.92 44.29 1ymw s ASP 14 CO 0.01 -0.12 1.80 -1.20 -0.17 0.00 0.00 175.17 175.49 1ymw n SER 15 N 2.90 0.60 0.19 -0.34 7.64 -1.26 -3.94 113.62 119.42 1ymw n SER 15 Ca 0.25 -1.40 0.12 0.00 1.01 0.00 0.00 58.87 58.85 1ymw n SER 15 Cb 0.51 -0.02 0.22 0.00 -1.01 0.00 0.00 64.21 63.91 1ymw n SER 15 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ymw h SER 16 N 0.85 0.00 -3.75 6.43 0.87 -1.93 -3.46 113.55 112.56 1ymw h SER 16 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 1ymw h SER 16 Cb 0.18 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.01 1ymw h SER 16 CO 0.00 0.00 -0.54 0.42 -0.53 0.00 0.00 176.83 176.18 1ymw s THR 17 N -3.19 0.56 -0.73 2.23 -4.23 -1.25 -5.07 115.64 103.96 1ymw s THR 17 Ca 0.08 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1ymw s THR 17 Cb 0.07 -2.45 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 1ymw s THR 17 CO 0.65 0.00 0.55 -1.54 -0.54 0.00 0.00 174.62 173.74 1ymw n SER 18 N -1.15 0.85 -3.62 3.99 3.41 -1.26 -4.69 113.62 111.15 1ymw n SER 18 Ca -0.03 -0.93 -0.04 0.00 -0.26 0.00 0.00 58.87 57.62 1ymw n SER 18 Cb 0.65 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 1ymw n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ymw s ALA 19 N -1.76 -2.10 -0.31 7.33 0.00 -1.26 -4.78 121.76 118.88 1ymw s ALA 19 Ca 0.06 1.80 -0.40 0.00 0.00 0.00 0.00 51.96 53.42 1ymw s ALA 19 Cb 0.08 -0.94 -0.15 0.00 0.00 0.00 0.00 23.12 22.11 1ymw s ALA 19 CO 0.37 -0.37 1.84 0.00 0.00 0.00 0.00 175.76 177.59 1ymw n ALA 20 N 0.32 -0.01 0.00 0.00 0.00 -1.26 -4.83 120.51 114.73 1ymw n ALA 20 Ca -0.00 0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 1ymw n ALA 20 Cb 0.58 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.81 1ymw n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ymw h SER 21 N 8.04 0.66 -3.00 0.00 0.02 -1.99 -3.48 113.55 113.80 1ymw h SER 21 Ca -0.41 -0.37 -0.17 0.00 -0.84 0.00 0.00 61.79 60.00 1ymw h SER 21 Cb 1.33 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1ymw h SER 21 CO 0.98 1.11 -0.10 -1.54 -1.14 0.00 0.00 176.83 176.14 1ymw n SER 22 N -3.94 -0.72 -0.01 3.07 3.41 -1.26 -5.04 113.62 109.14 1ymw n SER 22 Ca -0.04 -2.08 0.14 0.00 -0.26 0.00 0.00 58.87 56.63 1ymw n SER 22 Cb 0.64 1.37 0.60 0.00 -0.26 0.00 0.00 64.21 66.56 1ymw n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ymw n SER 23 N -1.90 0.08 -0.87 4.04 3.41 -1.26 -3.06 113.62 114.06 1ymw n SER 23 Ca 0.01 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 1ymw n SER 23 Cb 0.33 -0.36 0.18 0.00 -0.26 0.00 0.00 64.21 64.10 1ymw n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ymw n ASN 24 N -1.44 2.72 -0.13 4.04 2.85 -1.26 -4.39 115.26 117.65 1ymw n ASN 24 Ca 0.08 -1.90 -0.06 0.00 -0.11 0.00 0.00 54.58 52.59 1ymw n ASN 24 Cb 0.32 -0.01 0.01 0.00 1.24 0.00 0.00 39.78 41.34 1ymw n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1ymw h TYR 25 N 4.24 -0.65 -0.81 1.20 3.20 -1.93 -1.50 116.97 120.72 1ymw h TYR 25 Ca 0.00 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1ymw h TYR 25 Cb 0.90 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1ymw h TYR 25 CO 0.01 -0.32 0.32 0.00 -1.64 0.00 0.00 178.16 176.53 1ymw h ASN 27 N 1.17 0.49 0.23 0.00 2.35 -1.65 -0.17 115.58 118.01 1ymw h ASN 27 Ca 0.27 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1ymw h ASN 27 Cb 0.21 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1ymw h ASN 27 CO -0.02 0.35 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.39 1ymw h GLN 28 N 0.60 -0.30 -0.87 0.81 -0.00 -0.94 -3.18 115.11 111.23 1ymw h GLN 28 Ca 0.19 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 1ymw h GLN 28 Cb -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.50 1ymw h GLN 28 CO -0.08 0.04 0.48 0.52 0.00 0.00 0.00 178.83 179.79 1ymw h MET 29 N -0.69 1.20 0.00 1.69 2.86 -0.77 -1.07 114.93 118.16 1ymw h MET 29 Ca -0.03 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1ymw h MET 29 Cb 0.48 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1ymw h MET 29 CO 0.05 0.87 -0.21 0.52 1.06 0.00 0.00 176.91 179.21 1ymw h MET 30 N 1.21 0.00 0.01 1.72 2.86 -1.12 -1.54 114.93 118.07 1ymw h MET 30 Ca 0.31 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1ymw h MET 30 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1ymw h MET 30 CO -0.05 0.21 -0.07 -0.22 1.06 0.00 0.00 176.91 177.84 1ymw h LYS 31 N 0.00 0.03 -0.19 1.72 3.64 -1.37 -0.24 116.57 120.15 1ymw h LYS 31 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ymw h LYS 31 Cb 0.46 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ymw h LYS 31 CO 0.03 1.00 0.13 0.77 -2.27 0.00 0.00 179.45 179.11 1ymw h SER 32 N -0.92 0.16 -0.54 4.20 0.02 -1.12 -1.81 113.55 113.54 1ymw h SER 32 Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ymw h SER 32 Cb 1.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ymw h SER 32 CO 0.01 0.11 0.00 0.54 -1.14 0.00 0.00 176.83 176.35 1ymw n ARG 33 N -4.51 3.09 -3.76 3.45 5.12 -0.59 -4.95 116.66 114.52 1ymw n ARG 33 Ca 0.00 -2.29 -0.23 0.00 -1.93 0.00 0.00 57.85 53.40 1ymw n ARG 33 Cb 0.14 -1.73 0.03 0.00 -1.16 0.00 0.00 32.46 29.74 1ymw n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ymw n ASN 34 N 0.93 -1.87 -0.94 0.55 3.02 -0.68 -4.84 115.26 111.43 1ymw n ASN 34 Ca 0.21 -0.82 0.09 0.00 -0.03 0.00 0.00 54.58 54.03 1ymw n ASN 34 Cb 0.71 -3.96 0.19 0.00 -0.61 0.00 0.00 39.78 36.11 1ymw n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ymw n LEU 35 N -4.37 3.19 -0.12 3.41 4.77 -0.10 -4.32 117.00 119.46 1ymw n LEU 35 Ca -0.23 -1.70 0.08 0.00 -0.03 0.00 0.00 56.01 54.13 1ymw n LEU 35 Cb 0.65 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1ymw n LEU 35 CO 0.70 0.74 0.52 0.35 -1.33 0.00 0.00 177.39 178.37 1ymw n THR 36 N 1.10 1.54 0.00 -5.08 -2.24 -1.22 -2.29 114.28 106.10 1ymw n THR 36 Ca 0.16 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1ymw n THR 36 Cb 0.51 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1ymw n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ymw n LYS 37 N -1.15 0.00 -0.40 -0.78 4.76 -1.26 -3.94 118.16 115.39 1ymw n LYS 37 Ca 0.12 0.32 0.09 0.00 -2.87 0.00 0.00 58.31 55.98 1ymw n LYS 37 Cb 0.61 -1.15 0.29 0.00 -1.84 0.00 0.00 35.03 32.93 1ymw n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ymw n ASP 38 N -1.18 3.95 0.00 4.39 10.43 -1.26 -4.98 116.55 127.90 1ymw n ASP 38 Ca 0.00 -2.22 0.00 0.00 2.57 0.00 0.00 54.79 55.14 1ymw n ASP 38 Cb 0.00 -0.45 0.00 0.00 1.84 0.00 0.00 41.12 42.51 1ymw n ASP 38 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1ymw n ARG 39 N 1.02 0.00 -2.81 -1.24 0.63 -1.25 -5.10 116.66 107.91 1ymw n ARG 39 Ca 0.21 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.72 1ymw n ARG 39 Cb 0.68 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.55 1ymw n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ymw n LYS 41 N 6.89 2.60 -0.31 0.00 4.81 -0.97 -4.86 118.16 126.32 1ymw n LYS 41 Ca 0.07 0.95 -0.03 0.00 -0.87 0.00 0.00 58.31 58.43 1ymw n LYS 41 Cb 0.48 -2.87 0.09 0.00 0.02 0.00 0.00 35.03 32.75 1ymw n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ymw h PRO 42 N 9.93 1.09 -3.70 1.64 0.13 -1.93 -3.43 132.00 135.73 1ymw h PRO 42 Ca -0.49 -0.07 -0.22 0.00 -0.87 0.00 0.00 66.00 64.35 1ymw h PRO 42 Cb 1.25 -0.25 -0.27 0.00 0.13 0.00 0.00 31.00 31.86 1ymw h PRO 42 CO 0.94 0.72 -0.70 0.54 -0.23 0.00 0.00 178.00 179.28 1ymw s VAL 43 N -6.12 0.01 -0.27 1.56 0.11 -1.26 -0.90 120.40 113.52 1ymw s VAL 43 Ca -0.13 -0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.65 1ymw s VAL 43 Cb 0.16 -0.05 0.07 0.00 -1.53 0.00 0.00 36.38 35.03 1ymw s VAL 43 CO 0.79 -0.03 0.69 0.21 -3.33 0.00 0.00 175.10 173.43 1ymw s ASN 44 N -0.09 -0.82 -0.11 3.54 2.47 -0.30 -5.01 114.94 114.61 1ymw s ASN 44 Ca -0.01 1.45 -0.01 0.00 0.42 0.00 0.00 52.86 54.71 1ymw s ASN 44 Cb -0.01 1.41 -0.03 0.00 -1.45 0.00 0.00 41.25 41.17 1ymw s ASN 44 CO -0.00 -0.24 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.17 1ymw s THR 45 N 0.95 3.61 -0.11 -5.21 2.01 -1.26 -0.31 115.64 115.32 1ymw s THR 45 Ca -0.05 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1ymw s THR 45 Cb -0.05 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1ymw s THR 45 CO -0.08 0.55 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.95 1ymw s PHE 46 N -0.15 2.91 -0.22 4.92 0.08 -0.19 -4.33 117.98 121.01 1ymw s PHE 46 Ca 0.02 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 1ymw s PHE 46 Cb -0.13 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1ymw s PHE 46 CO 0.03 0.07 0.08 0.08 -0.10 0.00 0.00 175.22 175.38 1ymw s VAL 47 N -0.15 4.68 -1.12 -0.44 1.01 0.96 -0.67 120.40 124.67 1ymw s VAL 47 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1ymw s VAL 47 Cb -0.13 -3.16 0.27 0.00 0.00 0.00 0.00 36.38 33.36 1ymw s VAL 47 CO 0.03 0.39 1.76 1.41 0.00 0.00 0.00 175.10 178.68 1ymw n HIS 48 N 4.25 2.53 -4.14 5.22 -0.00 0.76 -1.64 115.22 122.20 1ymw n HIS 48 Ca -0.16 -2.62 -0.11 0.00 -0.00 0.00 0.00 57.72 54.83 1ymw n HIS 48 Cb 0.52 -1.40 -0.09 0.00 -0.00 0.00 0.00 29.99 29.02 1ymw n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ymw s GLU 49 N -2.69 1.19 0.69 -0.41 0.41 -1.26 -4.43 118.70 112.20 1ymw s GLU 49 Ca 0.37 -1.50 -0.15 0.00 -0.41 0.00 0.00 54.97 53.29 1ymw s GLU 49 Cb 0.12 0.30 0.02 0.00 -1.78 0.00 0.00 34.13 32.79 1ymw s GLU 49 CO -0.01 -0.40 1.14 -1.54 -0.49 0.00 0.00 175.26 173.96 1ymw s SER 50 N -3.10 4.76 0.26 -0.19 1.04 -1.26 -4.10 113.70 111.10 1ymw s SER 50 Ca 0.32 2.11 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 1ymw s SER 50 Cb 0.06 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.98 1ymw s SER 50 CO 0.09 -1.87 1.89 0.25 0.98 0.00 0.00 173.24 174.58 1ymw h LEU 51 N -0.13 1.05 -0.97 2.42 5.85 -1.97 -1.81 115.31 119.75 1ymw h LEU 51 Ca -0.47 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.29 1ymw h LEU 51 Cb 1.26 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1ymw h LEU 51 CO 0.52 0.69 0.64 0.00 -0.34 0.00 0.00 178.44 179.95 1ymw h ALA 52 N 1.43 1.29 -0.51 1.25 0.00 -1.99 0.26 119.26 121.00 1ymw h ALA 52 Ca 0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1ymw h ALA 52 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ymw h ALA 52 CO -0.15 0.53 -0.08 -0.44 0.00 0.00 0.00 179.25 179.11 1ymw h ASP 53 N 1.23 0.91 -0.14 0.00 5.19 -1.70 -1.62 116.42 120.29 1ymw h ASP 53 Ca 0.39 -0.28 -0.22 0.00 -0.62 0.00 0.00 57.03 56.30 1ymw h ASP 53 Cb -0.00 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.27 1ymw h ASP 53 CO -0.12 1.01 -0.76 0.58 -3.12 0.00 0.00 179.24 176.83 1ymw h VAL 54 N 0.83 1.29 -0.13 -1.35 2.07 -1.01 -3.11 116.25 114.84 1ymw h VAL 54 Ca 0.14 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1ymw h VAL 54 Cb 0.60 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1ymw h VAL 54 CO 0.04 0.62 -0.08 1.56 0.02 0.00 0.00 177.57 179.73 1ymw h GLN 55 N 0.48 0.20 0.00 1.57 4.20 -0.88 -1.90 115.11 118.78 1ymw h GLN 55 Ca -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1ymw h GLN 55 Cb 1.39 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1ymw h GLN 55 CO 0.16 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.55 1ymw h ALA 56 N 1.73 1.24 0.00 3.87 0.00 -1.22 -2.42 119.26 122.46 1ymw h ALA 56 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ymw h ALA 56 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ymw h ALA 56 CO 0.01 0.08 -0.01 0.28 0.00 0.00 0.00 179.25 179.61 1ymw h VAL 57 N 0.00 0.63 0.00 0.00 2.07 -1.38 -1.85 116.25 115.72 1ymw h VAL 57 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ymw h VAL 57 Cb 0.23 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ymw h VAL 57 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1ymw n SER 59 N -1.09 1.69 0.00 0.00 7.64 -0.70 -5.02 113.62 116.14 1ymw n SER 59 Ca 0.07 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1ymw n SER 59 Cb 0.05 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1ymw n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ymw n GLN 60 N -0.44 1.93 -2.28 1.43 6.02 -0.08 -4.98 117.38 118.98 1ymw n GLN 60 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1ymw n GLN 60 Cb 0.30 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.54 1ymw n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1ymw s LYS 61 N 3.66 3.61 -0.16 -1.09 2.47 -1.08 -4.87 119.74 122.29 1ymw s LYS 61 Ca 0.00 1.14 -0.29 0.00 -1.56 0.00 0.00 55.97 55.26 1ymw s LYS 61 Cb 0.00 -4.03 -0.01 0.00 -1.46 0.00 0.00 37.83 32.32 1ymw s LYS 61 CO 0.00 -1.52 1.24 1.21 0.16 0.00 0.00 175.35 176.44 1ymw s ASN 62 N 4.15 6.97 0.11 1.43 3.04 -1.26 0.01 114.94 129.39 1ymw s ASN 62 Ca 0.65 1.69 0.04 0.00 0.04 0.00 0.00 52.86 55.27 1ymw s ASN 62 Cb -0.17 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.96 1ymw s ASN 62 CO 0.31 -0.73 -0.10 0.68 -3.04 0.00 0.00 177.10 174.21 1ymw s VAL 63 N 3.32 1.01 0.62 -5.21 -7.23 0.38 -4.94 120.40 108.35 1ymw s VAL 63 Ca 0.54 -1.77 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 1ymw s VAL 63 Cb -0.22 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1ymw s VAL 63 CO 0.15 -0.62 1.14 0.00 -0.31 0.00 0.00 175.10 175.46 1ymw s ALA 64 N -2.73 2.50 0.33 1.32 0.00 -1.26 -2.88 121.76 119.04 1ymw s ALA 64 Ca 0.09 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1ymw s ALA 64 Cb -0.01 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1ymw s ALA 64 CO 0.00 -1.18 0.55 0.00 0.00 0.00 0.00 175.76 175.12 1ymw h LYS 66 N 1.05 0.11 0.00 0.00 1.63 -1.94 0.78 116.57 118.20 1ymw h LYS 66 Ca -0.49 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1ymw h LYS 66 Cb 1.21 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1ymw h LYS 66 CO 0.63 0.07 0.00 0.27 -3.45 0.00 0.00 179.45 176.97 1ymw n ASN 67 N -5.34 0.00 0.00 4.20 6.94 -1.26 -4.84 115.26 114.96 1ymw n ASN 67 Ca 0.16 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.53 1ymw n ASN 67 Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1ymw n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ymw n GLY 68 N 0.25 0.73 3.81 4.83 0.00 0.27 -5.05 105.19 110.04 1ymw n GLY 68 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1ymw n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ymw s GLN 69 N -0.12 2.73 -0.10 1.61 -1.52 -1.24 -4.68 119.66 116.35 1ymw s GLN 69 Ca 0.00 0.90 0.13 0.00 -1.95 0.00 0.00 55.36 54.44 1ymw s GLN 69 Cb 0.00 -1.97 0.34 0.00 -0.22 0.00 0.00 33.01 31.16 1ymw s GLN 69 CO 0.00 -1.23 1.26 0.25 -0.25 0.00 0.00 175.29 175.32 1ymw n THR 70 N -3.21 1.69 -1.25 -0.19 -2.24 -1.26 0.11 114.28 107.93 1ymw n THR 70 Ca 0.07 -1.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.04 1ymw n THR 70 Cb 0.54 0.04 0.20 0.00 -2.10 0.00 0.00 70.33 69.01 1ymw n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ymw n ASN 71 N -0.47 3.66 -4.91 3.42 6.94 -1.26 -4.75 115.26 117.89 1ymw n ASN 71 Ca 0.15 -3.60 -0.31 0.00 -0.02 0.00 0.00 54.58 50.80 1ymw n ASN 71 Cb 0.63 -0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 37.21 1ymw n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ymw s TYR 73 N -1.65 0.35 -0.17 0.00 1.51 0.22 -0.47 117.35 117.13 1ymw s TYR 73 Ca 0.39 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1ymw s TYR 73 Cb -0.12 -0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1ymw s TYR 73 CO 0.26 -0.02 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.49 1ymw s GLN 74 N -0.26 3.53 0.34 -0.62 0.74 0.10 -1.49 119.66 122.00 1ymw s GLN 74 Ca -0.00 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 1ymw s GLN 74 Cb -0.02 -2.90 -0.11 0.00 1.10 0.00 0.00 33.01 31.08 1ymw s GLN 74 CO -0.00 0.09 1.52 -1.54 -0.55 0.00 0.00 175.29 174.81 1ymw s SER 75 N 0.73 6.37 0.27 6.67 1.04 -0.34 -2.62 113.70 125.81 1ymw s SER 75 Ca -0.02 3.00 -0.00 0.00 0.48 0.00 0.00 55.95 59.40 1ymw s SER 75 Cb -0.15 -2.65 0.36 0.00 0.10 0.00 0.00 66.02 63.68 1ymw s SER 75 CO 0.02 -0.88 1.74 1.88 0.98 0.00 0.00 173.24 176.98 1ymw h TYR 76 N 3.72 0.72 -1.85 5.02 0.05 -1.95 -3.43 116.97 119.25 1ymw h TYR 76 Ca -0.49 -0.12 -0.53 0.00 0.05 0.00 0.00 58.73 57.63 1ymw h TYR 76 Cb 1.23 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.72 1ymw h TYR 76 CO 0.55 0.75 -0.51 -1.54 -1.05 0.00 0.00 178.16 176.36 1ymw s SER 77 N -6.72 4.83 0.56 3.88 1.04 -1.26 -5.06 113.70 110.97 1ymw s SER 77 Ca -0.08 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 55.49 1ymw s SER 77 Cb 0.14 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.43 1ymw s SER 77 CO 0.80 -0.33 1.00 0.42 0.98 0.00 0.00 173.24 176.12 1ymw s THR 78 N -2.40 4.62 0.10 2.02 -4.23 -1.26 -4.36 115.64 110.12 1ymw s THR 78 Ca 0.39 1.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.98 1ymw s THR 78 Cb -0.03 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1ymw s THR 78 CO 0.24 -0.90 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.29 1ymw s MET 79 N -4.58 0.85 0.02 3.99 -1.94 0.13 -4.81 119.30 112.96 1ymw s MET 79 Ca 0.57 -1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.06 1ymw s MET 79 Cb -0.10 -0.48 -0.04 0.00 2.01 0.00 0.00 34.83 36.22 1ymw s MET 79 CO 0.42 0.06 1.10 0.45 -0.01 0.00 0.00 175.02 177.04 1ymw s SER 80 N -2.55 7.21 0.13 3.03 0.15 -1.26 -1.30 113.70 119.10 1ymw s SER 80 Ca 0.07 1.83 -0.03 0.00 0.70 0.00 0.00 55.95 58.52 1ymw s SER 80 Cb -0.01 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1ymw s SER 80 CO -0.01 -0.39 0.10 0.27 1.20 0.00 0.00 173.24 174.41 1ymw s ILE 81 N 1.15 0.10 -0.07 6.45 -4.36 0.06 -0.17 121.20 124.36 1ymw s ILE 81 Ca 0.55 -1.81 -0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1ymw s ILE 81 Cb -0.25 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.50 1ymw s ILE 81 CO 0.28 -0.45 -0.01 -0.89 0.24 0.00 0.00 174.94 174.10 1ymw s THR 82 N -4.03 0.48 -0.10 8.37 2.01 0.16 -1.56 115.64 120.97 1ymw s THR 82 Ca 0.22 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1ymw s THR 82 Cb 0.07 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1ymw s THR 82 CO 0.01 0.27 0.49 -0.62 -0.69 0.00 0.00 174.62 174.08 1ymw s ASP 83 N 1.80 6.72 -0.19 3.53 -1.08 0.29 -1.02 116.67 126.73 1ymw s ASP 83 Ca 0.03 0.86 -0.01 0.00 -0.52 0.00 0.00 52.55 52.90 1ymw s ASP 83 Cb -0.13 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1ymw s ASP 83 CO -0.05 0.02 -0.11 0.00 0.52 0.00 0.00 175.17 175.54 1ymw s ARG 85 N 1.22 1.81 0.47 0.00 1.81 -0.95 -1.15 118.95 122.16 1ymw s ARG 85 Ca 0.02 -0.43 -0.23 0.00 -1.72 0.00 0.00 55.73 53.37 1ymw s ARG 85 Cb -0.14 -1.54 -0.07 0.00 -0.45 0.00 0.00 34.95 32.75 1ymw s ARG 85 CO -0.05 -0.02 1.24 -2.00 -0.68 0.00 0.00 175.30 173.79 1ymw s GLU 86 N 0.84 3.64 -0.03 3.54 2.12 -0.08 -0.29 118.70 128.44 1ymw s GLU 86 Ca -0.11 1.97 0.01 0.00 0.36 0.00 0.00 54.97 57.20 1ymw s GLU 86 Cb -0.15 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1ymw s GLU 86 CO 0.02 -0.70 -0.04 0.95 -0.54 0.00 0.00 175.26 174.94 1ymw s THR 87 N -1.43 3.89 0.00 -1.70 -4.23 -0.52 -4.82 115.64 106.83 1ymw s THR 87 Ca 0.64 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1ymw s THR 87 Cb -0.33 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1ymw s THR 87 CO 0.41 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.58 1ymw n GLY 88 N 1.79 0.00 0.00 3.99 0.00 -1.26 0.14 105.19 109.85 1ymw n GLY 88 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1ymw n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ymw n SER 89 N -1.30 0.00 -4.69 1.61 3.41 -1.26 -4.82 113.62 106.57 1ymw n SER 89 Ca 0.00 -1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 1ymw n SER 89 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ymw n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ymw s SER 90 N -1.53 6.80 0.00 4.04 0.15 0.12 -4.92 113.70 118.36 1ymw s SER 90 Ca 0.15 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1ymw s SER 90 Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ymw s SER 90 CO 0.11 -0.75 0.00 0.29 1.20 0.00 0.00 173.24 174.09 1ymw n LYS 91 N 5.32 0.00 -3.62 5.44 4.01 -1.24 -4.97 118.16 123.09 1ymw n LYS 91 Ca 0.14 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.92 1ymw n LYS 91 Cb 0.43 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.94 1ymw n LYS 91 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1ymw s GLY 92 N 0.00 -0.35 0.00 0.72 0.00 -1.26 -4.52 107.32 101.91 1ymw s GLY 92 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.69 1ymw s GLY 92 CO 0.00 0.24 1.18 -1.55 0.00 0.00 0.00 173.10 172.97 1ymw n PRO 93 N -0.35 0.86 -2.95 2.90 -0.04 -1.26 -5.00 135.00 129.16 1ymw n PRO 93 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1ymw n PRO 93 Cb 0.61 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.88 1ymw n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ymw s ASN 94 N -1.38 6.49 -0.07 3.54 0.01 -1.26 -5.03 114.94 117.24 1ymw s ASN 94 Ca 0.12 0.14 -0.14 0.00 -0.71 0.00 0.00 52.86 52.27 1ymw s ASN 94 Cb 0.05 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1ymw s ASN 94 CO 0.09 -0.82 0.34 0.00 -1.51 0.00 0.00 177.10 175.20 1ymw s ALA 96 N -0.56 2.52 0.02 0.00 0.00 -1.26 -4.94 121.76 117.54 1ymw s ALA 96 Ca 0.21 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1ymw s ALA 96 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ymw s ALA 96 CO 0.09 0.36 -0.14 0.71 0.00 0.00 0.00 175.76 176.78 1ymw s TYR 97 N 0.00 1.22 -0.09 0.00 1.51 -1.26 -1.44 117.35 117.28 1ymw s TYR 97 Ca -0.05 -0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1ymw s TYR 97 Cb -0.14 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.91 1ymw s TYR 97 CO 0.04 0.01 0.38 0.21 -1.11 0.00 0.00 175.55 175.09 1ymw s LYS 98 N -0.81 4.13 -0.23 -0.62 2.20 0.60 -4.65 119.74 120.36 1ymw s LYS 98 Ca 0.03 0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 1ymw s LYS 98 Cb -0.07 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1ymw s LYS 98 CO 0.01 0.39 0.08 0.99 -0.36 0.00 0.00 175.35 176.46 1ymw s THR 99 N -0.07 4.58 -0.20 3.43 2.01 -1.26 -2.24 115.64 121.88 1ymw s THR 99 Ca 0.22 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1ymw s THR 99 Cb -0.15 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.29 1ymw s THR 99 CO 0.09 0.36 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.46 1ymw s THR 100 N 1.29 1.10 0.12 -0.82 2.01 -0.60 -4.97 115.64 113.76 1ymw s THR 100 Ca 0.05 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1ymw s THR 100 Cb -0.15 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 1ymw s THR 100 CO 0.04 -0.06 0.53 -1.58 -0.69 0.00 0.00 174.62 172.86 1ymw s GLN 101 N 1.61 3.98 0.27 4.92 -0.44 -1.26 -0.54 119.66 128.20 1ymw s GLN 101 Ca -0.02 0.49 -0.21 0.00 -2.50 0.00 0.00 55.36 53.12 1ymw s GLN 101 Cb -0.17 -3.01 0.02 0.00 -1.64 0.00 0.00 33.01 28.21 1ymw s GLN 101 CO -0.07 0.53 0.71 0.00 0.50 0.00 0.00 175.29 176.95 1ymw s ALA 102 N -1.38 -1.20 -0.23 1.58 0.00 -0.60 -4.98 121.76 114.96 1ymw s ALA 102 Ca 0.35 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1ymw s ALA 102 Cb -0.16 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1ymw s ALA 102 CO 0.19 -1.02 -0.10 -0.80 0.00 0.00 0.00 175.76 174.02 1ymw s ASN 103 N -2.92 3.85 0.19 0.00 0.01 -1.26 -0.76 114.94 114.06 1ymw s ASN 103 Ca 0.11 -1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 51.02 1ymw s ASN 103 Cb -0.06 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.26 1ymw s ASN 103 CO 0.06 -0.17 0.40 -0.54 -1.51 0.00 0.00 177.10 175.34 1ymw s LYS 104 N 1.29 1.32 0.49 -0.60 1.02 -0.42 -4.78 119.74 118.06 1ymw s LYS 104 Ca -0.05 -1.12 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 1ymw s LYS 104 Cb -0.18 0.44 -0.08 0.00 -0.52 0.00 0.00 37.83 37.49 1ymw s LYS 104 CO -0.07 -0.52 1.02 -1.01 -0.92 0.00 0.00 175.35 173.85 1ymw s HIS 105 N -3.96 3.06 0.19 3.18 3.76 -0.95 0.18 115.29 120.76 1ymw s HIS 105 Ca 0.17 1.57 0.09 0.00 -0.15 0.00 0.00 55.06 56.73 1ymw s HIS 105 Cb 0.01 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 1ymw s HIS 105 CO 0.02 -0.73 -0.06 0.96 -0.85 0.00 0.00 174.74 174.08 1ymw s ILE 106 N -2.08 3.36 -0.11 0.60 -4.36 -1.26 -1.03 121.20 116.32 1ymw s ILE 106 Ca 0.66 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 1ymw s ILE 106 Cb -0.15 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.89 1ymw s ILE 106 CO 0.21 -0.16 -0.11 -0.63 0.24 0.00 0.00 174.94 174.49 1ymw s ILE 107 N -1.83 1.26 0.13 8.37 1.01 0.63 -1.20 121.20 129.57 1ymw s ILE 107 Ca 0.27 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.51 1ymw s ILE 107 Cb -0.08 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1ymw s ILE 107 CO 0.17 0.40 -0.15 0.68 0.00 0.00 0.00 174.94 176.04 1ymw s VAL 108 N 1.30 1.40 -0.07 2.92 -7.23 -0.56 -0.89 120.40 117.28 1ymw s VAL 108 Ca -0.01 -1.74 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1ymw s VAL 108 Cb -0.14 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 1ymw s VAL 108 CO -0.05 -0.39 0.24 0.00 -0.31 0.00 0.00 175.10 174.59 1ymw s ALA 109 N -2.10 3.81 0.18 1.32 0.00 -0.23 -0.61 121.76 124.14 1ymw s ALA 109 Ca 0.10 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1ymw s ALA 109 Cb -0.05 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1ymw s ALA 109 CO 0.03 0.57 -0.16 0.00 0.00 0.00 0.00 175.76 176.21 1ymw s GLU 111 N -3.25 0.30 0.12 0.00 -1.05 -0.48 -4.89 118.70 109.46 1ymw s GLU 111 Ca 0.19 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.87 1ymw s GLU 111 Cb -0.03 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1ymw s GLU 111 CO 0.07 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1ymw n GLY 112 N -0.25 -2.39 2.62 -3.83 0.00 -1.26 -2.65 105.19 97.44 1ymw n GLY 112 Ca -0.03 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 1ymw n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ymw s ASN 113 N -2.98 2.55 0.75 1.61 3.84 -1.26 -2.42 114.94 117.04 1ymw s ASN 113 Ca 0.00 -0.82 -0.15 0.00 0.21 0.00 0.00 52.86 52.10 1ymw s ASN 113 Cb 0.00 -0.09 0.05 0.00 -0.55 0.00 0.00 41.25 40.67 1ymw s ASN 113 CO 0.00 -0.39 1.22 -2.16 -2.79 0.00 0.00 177.10 172.98 1ymw s PRO 114 N 2.18 1.97 -0.83 0.43 0.04 -1.26 -5.08 135.00 132.45 1ymw s PRO 114 Ca 0.06 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1ymw s PRO 114 Cb -0.16 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1ymw s PRO 114 CO -0.23 -1.97 1.24 -0.47 0.04 0.00 0.00 177.00 175.61 1ymw s TYR 115 N -1.99 2.55 0.33 0.56 5.04 -1.02 -4.85 117.35 117.98 1ymw s TYR 115 Ca 0.75 -0.57 0.07 0.00 -2.44 0.00 0.00 57.07 54.88 1ymw s TYR 115 Cb -0.30 -4.53 -0.06 0.00 0.35 0.00 0.00 41.96 37.42 1ymw s TYR 115 CO 0.47 -1.87 -0.04 0.14 -1.34 0.00 0.00 175.55 172.91 1ymw s VAL 116 N 4.74 1.80 0.24 3.14 -7.23 -1.08 -4.78 120.40 117.23 1ymw s VAL 116 Ca 0.35 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1ymw s VAL 116 Cb -0.07 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.11 1ymw s VAL 116 CO 0.03 -0.17 1.54 -2.84 -0.31 0.00 0.00 175.10 173.35 1ymw s PRO 117 N -3.72 4.20 0.00 4.82 0.02 -1.26 -1.38 135.00 137.68 1ymw s PRO 117 Ca 0.32 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1ymw s PRO 117 Cb 0.05 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1ymw s PRO 117 CO 0.15 -0.55 0.00 1.33 -0.33 0.00 0.00 177.00 177.59 1ymw n VAL 118 N 2.84 0.00 -3.68 3.83 0.24 0.12 -4.41 118.33 117.28 1ymw n VAL 118 Ca 0.10 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 1ymw n VAL 118 Cb 0.39 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.49 1ymw n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ymw s HIS 119 N -1.12 -0.46 -0.40 6.34 5.65 -1.14 -4.67 115.29 119.50 1ymw s HIS 119 Ca 0.00 0.96 -0.15 0.00 0.25 0.00 0.00 55.06 56.12 1ymw s HIS 119 Cb 0.00 0.21 0.01 0.00 -1.18 0.00 0.00 32.58 31.62 1ymw s HIS 119 CO 0.00 -0.38 0.31 0.12 -0.65 0.00 0.00 174.74 174.14 1ymw s PHE 120 N -0.55 3.23 -0.14 3.88 5.36 -1.26 -1.07 117.98 127.43 1ymw s PHE 120 Ca -0.07 -0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 55.15 1ymw s PHE 120 Cb -0.03 -2.60 -0.26 0.00 -0.34 0.00 0.00 43.02 39.79 1ymw s PHE 120 CO 0.04 -0.57 0.64 -0.44 -1.46 0.00 0.00 175.22 173.43 1ymw h ASP 121 N 8.62 0.13 -5.77 6.13 5.19 -1.36 -3.49 116.42 125.87 1ymw h ASP 121 Ca -0.28 -0.86 0.32 0.00 -0.62 0.00 0.00 57.03 55.59 1ymw h ASP 121 Cb 1.12 -0.04 -0.08 0.00 0.18 0.00 0.00 39.33 40.51 1ymw h ASP 121 CO 0.72 1.26 0.84 0.00 -3.12 0.00 0.00 179.24 178.95 1ymw s ALA 122 N -2.32 -2.30 0.05 3.45 0.00 -1.11 -4.99 121.76 114.54 1ymw s ALA 122 Ca -0.20 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1ymw s ALA 122 Cb 0.01 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1ymw s ALA 122 CO 0.70 -1.11 -0.10 -1.54 0.00 0.00 0.00 175.76 173.71 1ymw s SER 123 N -3.49 1.16 0.00 0.00 1.04 -1.26 -0.26 113.70 110.88 1ymw s SER 123 Ca 0.24 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1ymw s SER 123 Cb 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1ymw s SER 123 CO -0.01 -0.11 0.28 0.52 0.98 0.00 0.00 173.24 174.90