#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wws s LYS 4 N 0.00 4.03 0.26 3.23 1.02 -1.26 -3.70 119.74 123.32 1wws s LYS 4 Ca 0.00 1.11 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 1wws s LYS 4 Cb 0.00 -2.15 0.45 0.00 -0.52 0.00 0.00 37.83 35.62 1wws s LYS 4 CO 0.00 -0.21 1.84 0.28 -0.92 0.00 0.00 175.35 176.34 1wws h VAL 5 N 1.47 0.96 -0.56 3.17 2.07 -2.03 -1.08 116.25 120.25 1wws h VAL 5 Ca -0.48 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1wws h VAL 5 Cb 1.19 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1wws h VAL 5 CO 0.61 0.18 0.21 0.00 0.02 0.00 0.00 177.57 178.59 1wws h ALA 6 N 1.48 1.33 -0.09 1.67 0.00 -2.03 -2.17 119.26 119.46 1wws h ALA 6 Ca 0.44 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1wws h ALA 6 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wws h ALA 6 CO -0.23 0.50 -0.77 0.93 0.00 0.00 0.00 179.25 179.68 1wws h GLU 7 N 0.80 0.51 0.29 0.00 5.08 -1.67 -1.50 114.58 118.09 1wws h GLU 7 Ca 0.19 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1wws h GLU 7 Cb 0.17 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1wws h GLU 7 CO -0.02 1.06 -0.15 0.74 -1.00 0.00 0.00 179.01 179.64 1wws h PHE 8 N 0.34 -0.40 -0.93 4.33 0.04 -1.11 -1.52 116.94 117.69 1wws h PHE 8 Ca -0.04 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 1wws h PHE 8 Cb 1.36 0.14 -0.08 0.00 2.20 0.00 0.00 35.95 39.57 1wws h PHE 8 CO 0.06 -0.24 0.57 0.93 -0.60 0.00 0.00 178.31 179.02 1wws h GLU 9 N -0.41 0.90 -0.69 1.51 5.08 -1.35 -0.98 114.58 118.64 1wws h GLU 9 Ca -0.03 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1wws h GLU 9 Cb 0.33 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1wws h GLU 9 CO 0.05 0.60 0.16 -0.09 -1.00 0.00 0.00 179.01 178.73 1wws h ARG 10 N 0.93 1.11 -0.21 2.33 2.43 -0.92 -2.12 114.38 117.92 1wws h ARG 10 Ca 0.45 -0.27 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 1wws h ARG 10 Cb 0.41 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1wws h ARG 10 CO -0.25 0.99 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.53 1wws h LEU 11 N 1.04 0.89 -1.38 3.80 3.38 -0.56 -1.10 115.31 121.38 1wws h LEU 11 Ca 0.22 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1wws h LEU 11 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wws h LEU 11 CO 0.00 1.31 0.12 -0.26 0.09 0.00 0.00 178.44 179.71 1wws h PHE 12 N 0.52 0.54 0.05 1.13 0.04 -1.14 0.21 116.94 118.28 1wws h PHE 12 Ca -0.01 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1wws h PHE 12 Cb 1.22 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1wws h PHE 12 CO 0.08 0.45 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.13 1wws h ARG 13 N 0.53 -0.06 -0.37 1.51 2.43 -1.33 -1.02 114.38 116.07 1wws h ARG 13 Ca 0.13 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1wws h ARG 13 Cb 0.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1wws h ARG 13 CO -0.01 0.58 -0.08 1.96 -1.51 0.00 0.00 179.97 180.91 1wws h GLN 14 N -0.81 0.63 0.13 0.20 4.20 -1.09 0.44 115.11 118.81 1wws h GLN 14 Ca -0.01 -0.18 -0.29 0.00 0.06 0.00 0.00 58.65 58.23 1wws h GLN 14 Cb 0.66 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.40 1wws h GLN 14 CO 0.01 0.71 -1.25 0.00 -0.67 0.00 0.00 178.83 177.63 1wws h ALA 15 N 1.33 0.04 0.00 3.87 0.00 -0.70 -3.41 119.26 120.39 1wws h ALA 15 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1wws h ALA 15 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wws h ALA 15 CO 0.03 0.78 -0.19 0.00 0.00 0.00 0.00 179.25 179.87 1wws n ALA 16 N -2.63 1.55 -2.92 0.00 0.00 -0.83 -4.69 120.51 110.98 1wws n ALA 16 Ca -0.12 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 1wws n ALA 16 Cb 1.00 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 20.27 1wws n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wws n GLY 17 N 0.00 -0.50 3.88 0.00 0.00 0.15 -4.94 105.19 103.79 1wws n GLY 17 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1wws n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wws s LEU 18 N -6.29 4.21 -0.14 0.99 1.43 -0.45 -4.85 118.68 113.58 1wws s LEU 18 Ca 0.23 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1wws s LEU 18 Cb -0.11 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1wws s LEU 18 CO 0.28 0.16 -0.04 -1.81 0.23 0.00 0.00 176.35 175.17 1wws s ASP 19 N -2.55 4.77 0.05 2.29 1.11 0.21 -3.21 116.67 119.35 1wws s ASP 19 Ca 0.33 -0.11 0.08 0.00 0.18 0.00 0.00 52.55 53.03 1wws s ASP 19 Cb -0.13 -1.70 -0.03 0.00 1.07 0.00 0.00 42.92 42.14 1wws s ASP 19 CO 0.26 0.20 -0.22 0.54 1.18 0.00 0.00 175.17 177.13 1wws s VAL 20 N 0.17 1.80 0.44 -1.27 0.11 -1.26 -3.96 120.40 116.42 1wws s VAL 20 Ca -0.02 -1.28 0.06 0.00 -2.93 0.00 0.00 61.98 57.81 1wws s VAL 20 Cb -0.14 -1.56 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1wws s VAL 20 CO 0.03 0.22 0.19 1.51 -3.33 0.00 0.00 175.10 173.72 1wws s ASP 21 N -1.26 4.42 0.14 3.54 -4.77 -1.26 -4.96 116.67 112.51 1wws s ASP 21 Ca 0.09 -1.17 -0.29 0.00 -3.30 0.00 0.00 52.55 47.88 1wws s ASP 21 Cb -0.09 -0.25 -0.07 0.00 -1.09 0.00 0.00 42.92 41.41 1wws s ASP 21 CO 0.02 -0.65 1.50 0.11 0.70 0.00 0.00 175.17 176.85 1wws h LYS 22 N 1.33 -0.10 -1.04 2.11 1.57 -2.01 -0.22 116.57 118.20 1wws h LYS 22 Ca -0.42 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 58.63 1wws h LYS 22 Cb 1.27 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 1wws h LYS 22 CO 0.69 -0.07 0.66 -0.91 -0.57 0.00 0.00 179.45 179.25 1wws h ASN 23 N -0.10 0.48 0.05 0.86 2.35 -2.02 -1.21 115.58 115.98 1wws h ASN 23 Ca 0.13 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wws h ASN 23 Cb 0.43 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1wws h ASN 23 CO -0.78 0.08 -0.02 0.44 -1.65 0.00 0.00 177.43 175.50 1wws h ASP 24 N 0.42 -0.06 -0.63 5.81 3.45 -1.45 -3.30 116.42 120.66 1wws h ASP 24 Ca 0.61 -0.38 0.07 0.00 0.43 0.00 0.00 57.03 57.76 1wws h ASP 24 Cb 1.49 0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 40.21 1wws h ASP 24 CO -0.33 0.36 0.31 -0.07 -1.57 0.00 0.00 179.24 177.94 1wws h LEU 25 N -0.48 0.43 -0.40 1.55 3.38 -0.67 0.28 115.31 119.39 1wws h LEU 25 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wws h LEU 25 Cb 0.43 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1wws h LEU 25 CO 0.01 0.27 0.22 0.50 0.09 0.00 0.00 178.44 179.53 1wws h LYS 26 N 0.57 0.56 -0.32 1.13 1.63 -1.65 0.27 116.57 118.77 1wws h LYS 26 Ca 0.30 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.96 1wws h LYS 26 Cb 0.26 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1wws h LYS 26 CO -0.22 0.45 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.04 1wws h ARG 27 N 0.52 0.62 -0.30 1.90 2.43 -1.55 -2.21 114.38 115.80 1wws h ARG 27 Ca 0.14 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1wws h ARG 27 Cb 0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wws h ARG 27 CO -0.02 0.81 0.06 0.28 -1.51 0.00 0.00 179.97 179.59 1wws h VAL 28 N 0.39 1.23 -0.40 0.20 2.07 -0.28 -1.41 116.25 118.05 1wws h VAL 28 Ca 0.08 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1wws h VAL 28 Cb 0.59 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1wws h VAL 28 CO 0.03 0.26 0.26 -1.28 0.02 0.00 0.00 177.57 176.86 1wws h SER 29 N 0.32 0.47 -0.39 0.57 0.87 -0.48 -0.92 113.55 114.00 1wws h SER 29 Ca 0.09 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1wws h SER 29 Cb 0.33 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1wws h SER 29 CO 0.00 0.36 0.12 0.44 -0.53 0.00 0.00 176.83 177.22 1wws h ASP 30 N 0.54 0.57 -0.16 6.23 3.32 -1.35 0.34 116.42 125.91 1wws h ASP 30 Ca 0.15 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1wws h ASP 30 Cb -0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1wws h ASP 30 CO -0.03 0.62 0.05 0.15 -1.72 0.00 0.00 179.24 178.31 1wws h PHE 31 N 0.48 0.10 -0.00 4.55 3.57 -1.03 -0.32 116.94 124.29 1wws h PHE 31 Ca 0.13 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1wws h PHE 31 Cb 0.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1wws h PHE 31 CO 0.01 0.05 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.48 1wws h LEU 32 N 0.13 0.01 -0.49 0.59 3.38 -1.09 -2.23 115.31 115.62 1wws h LEU 32 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wws h LEU 32 Cb 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wws h LEU 32 CO -0.07 0.59 0.25 -0.09 0.09 0.00 0.00 178.44 179.21 1wws h ARG 33 N 0.01 0.69 -0.26 1.13 1.12 0.15 -0.60 114.38 116.62 1wws h ARG 33 Ca -0.01 -0.09 -0.08 0.00 -1.11 0.00 0.00 59.98 58.70 1wws h ARG 33 Cb 1.04 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1wws h ARG 33 CO 0.08 0.56 -0.16 -0.91 -3.11 0.00 0.00 179.97 176.43 1wws h ASN 34 N 0.64 0.44 -0.38 -3.80 2.35 -0.81 -0.55 115.58 113.47 1wws h ASN 34 Ca 0.17 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1wws h ASN 34 Cb 0.09 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1wws h ASN 34 CO -0.02 0.63 -0.08 0.11 -1.65 0.00 0.00 177.43 176.42 1wws h LYS 35 N 0.42 0.73 -0.51 0.81 1.79 -0.89 -0.13 116.57 118.78 1wws h LYS 35 Ca 0.07 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 1wws h LYS 35 Cb 0.53 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1wws h LYS 35 CO 0.03 0.87 0.17 1.25 -1.08 0.00 0.00 179.45 180.69 1wws h LEU 36 N 0.54 0.74 -0.50 2.94 5.85 -0.87 -1.37 115.31 122.63 1wws h LEU 36 Ca 0.10 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1wws h LEU 36 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1wws h LEU 36 CO 0.04 0.74 0.30 0.22 -0.34 0.00 0.00 178.44 179.40 1wws h TYR 37 N 0.70 0.57 -0.23 1.25 3.20 -0.93 -1.61 116.97 119.92 1wws h TYR 37 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1wws h TYR 37 Cb 0.26 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1wws h TYR 37 CO 0.01 0.33 0.00 -0.44 -1.64 0.00 0.00 178.16 176.43 1wws h ASP 38 N 0.61 0.31 -0.51 -2.11 3.32 -0.53 0.19 116.42 117.69 1wws h ASP 38 Ca 0.20 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1wws h ASP 38 Cb 0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1wws h ASP 38 CO -0.08 0.37 0.19 -0.07 -1.72 0.00 0.00 179.24 177.92 1wws h LEU 39 N 0.33 0.72 -0.80 1.55 3.38 -0.41 -1.65 115.31 118.43 1wws h LEU 39 Ca 0.08 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1wws h LEU 39 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wws h LEU 39 CO 0.00 0.71 -0.18 -0.07 0.09 0.00 0.00 178.44 178.99 1wws h LEU 40 N 0.69 0.71 -0.76 1.67 3.38 -0.37 -0.78 115.31 119.85 1wws h LEU 40 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1wws h LEU 40 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1wws h LEU 40 CO -0.01 0.89 0.29 0.00 0.09 0.00 0.00 178.44 179.70 1wws h ALA 41 N 1.17 0.99 -0.20 1.53 0.00 -0.39 0.44 119.26 122.80 1wws h ALA 41 Ca 0.10 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1wws h ALA 41 Cb 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wws h ALA 41 CO 0.05 0.63 -0.58 0.28 0.00 0.00 0.00 179.25 179.64 1wws h VAL 42 N 1.11 1.31 -0.86 0.00 2.07 -1.10 -2.89 116.25 115.89 1wws h VAL 42 Ca 0.25 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1wws h VAL 42 Cb 0.24 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1wws h VAL 42 CO -0.02 0.57 0.48 0.00 0.02 0.00 0.00 177.57 178.62 1wws h ALA 43 N 0.87 1.10 -0.48 1.67 0.00 -0.60 -0.37 119.26 121.45 1wws h ALA 43 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wws h ALA 43 Cb 1.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1wws h ALA 43 CO 0.11 0.60 0.32 1.49 0.00 0.00 0.00 179.25 181.77 1wws h GLU 44 N 1.20 0.64 -0.62 0.00 4.81 -0.83 0.20 114.58 119.98 1wws h GLU 44 Ca 0.30 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1wws h GLU 44 Cb 0.02 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1wws h GLU 44 CO -0.05 0.43 0.38 -0.09 -0.73 0.00 0.00 179.01 178.95 1wws h ARG 45 N 0.65 0.72 -0.42 1.92 2.43 -1.20 -0.92 114.38 117.56 1wws h ARG 45 Ca 0.18 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1wws h ARG 45 Cb -0.06 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1wws h ARG 45 CO -0.04 0.48 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.80 1wws h ASN 46 N 0.75 0.83 -0.25 -3.80 2.35 -0.40 -0.24 115.58 114.81 1wws h ASN 46 Ca 0.25 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1wws h ASN 46 Cb 0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1wws h ASN 46 CO -0.10 1.01 0.12 0.00 -1.65 0.00 0.00 177.43 176.81 1wws h ALA 47 N 1.06 0.32 -0.63 -0.83 0.00 -0.12 -1.77 119.26 117.29 1wws h ALA 47 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wws h ALA 47 Cb 0.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wws h ALA 47 CO 0.05 -0.13 0.22 0.87 0.00 0.00 0.00 179.25 180.26 1wws h LYS 48 N 0.27 0.94 -0.22 0.00 1.57 -1.03 -0.29 116.57 117.81 1wws h LYS 48 Ca 0.09 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wws h LYS 48 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1wws h LYS 48 CO -0.01 0.79 0.10 -0.92 -0.57 0.00 0.00 179.45 178.84 1wws h TYR 49 N 0.91 0.29 -0.49 -1.35 5.03 -0.59 -2.16 116.97 118.61 1wws h TYR 49 Ca 0.21 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 1wws h TYR 49 Cb 0.23 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 1wws h TYR 49 CO 0.02 0.23 0.06 0.09 -1.32 0.00 0.00 178.16 177.23 1wws n ASN 50 N -4.46 4.62 -1.42 -2.11 3.02 -0.71 -4.91 115.26 109.30 1wws n ASN 50 Ca 0.00 -2.80 -0.15 0.00 -0.03 0.00 0.00 54.58 51.60 1wws n ASN 50 Cb 0.11 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.58 1wws n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wws n GLY 51 N 0.34 0.77 3.70 7.41 0.00 -0.81 -5.01 105.19 111.60 1wws n GLY 51 Ca 0.25 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1wws n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wws s ARG 52 N -3.93 2.58 -0.16 1.61 0.52 -0.19 -5.00 118.95 114.37 1wws s ARG 52 Ca 0.00 -0.92 0.16 0.00 -0.52 0.00 0.00 55.73 54.45 1wws s ARG 52 Cb 0.00 -2.51 0.56 0.00 0.52 0.00 0.00 34.95 33.52 1wws s ARG 52 CO 0.00 0.51 1.47 -3.47 0.02 0.00 0.00 175.30 173.83 1wws n ASP 53 N 0.20 4.13 -3.74 0.23 2.03 -1.26 -3.85 116.55 114.29 1wws n ASP 53 Ca -0.10 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.23 1wws n ASP 53 Cb 0.53 -0.53 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 1wws n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1wws s LEU 54 N -2.54 0.62 -0.18 -2.67 2.96 -1.26 -4.37 118.68 111.24 1wws s LEU 54 Ca 0.43 0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 54.66 1wws s LEU 54 Cb 0.33 1.34 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 1wws s LEU 54 CO 0.12 -0.27 0.48 -0.63 -1.32 0.00 0.00 176.35 174.73 1wws s ILE 55 N -0.43 5.15 0.37 6.68 1.01 -0.61 -4.86 121.20 128.52 1wws s ILE 55 Ca -0.06 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.57 1wws s ILE 55 Cb -0.04 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1wws s ILE 55 CO 0.02 0.24 0.14 -0.36 0.00 0.00 0.00 174.94 174.98 1wws s PHE 56 N 1.27 2.64 0.20 3.97 0.08 -1.26 0.03 117.98 124.91 1wws s PHE 56 Ca 0.23 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1wws s PHE 56 Cb -0.15 -1.75 0.27 0.00 -0.57 0.00 0.00 43.02 40.82 1wws s PHE 56 CO 0.09 0.29 1.69 1.49 -0.10 0.00 0.00 175.22 178.68 1wws h GLU 57 N 1.54 0.18 -0.10 0.44 4.81 -1.95 -1.67 114.58 117.83 1wws h GLU 57 Ca -0.43 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1wws h GLU 57 Cb 1.25 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wws h GLU 57 CO 0.66 0.12 0.19 -1.35 -0.73 0.00 0.00 179.01 177.90 1wws h PRO 58 N 0.19 0.00 0.00 0.92 0.11 -2.02 -0.79 132.00 130.41 1wws h PRO 58 Ca 0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1wws h PRO 58 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1wws h PRO 58 CO -0.44 0.00 -0.34 -0.44 -0.21 0.00 0.00 178.00 176.57 1wws h ASP 59 N 0.00 0.00 -2.93 -2.05 3.32 -1.63 -3.43 116.42 109.70 1wws h ASP 59 Ca 0.05 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.56 1wws h ASP 59 Cb 0.43 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 1wws h ASP 59 CO -0.00 0.34 0.79 -0.76 -1.72 0.00 0.00 179.24 177.89 1wws s LEU 60 N -7.44 4.35 -1.31 1.55 2.01 -0.30 -3.83 118.68 113.70 1wws s LEU 60 Ca -0.01 2.26 -0.17 0.00 0.01 0.00 0.00 54.13 56.22 1wws s LEU 60 Cb 0.12 -3.57 0.01 0.00 0.01 0.00 0.00 46.19 42.76 1wws s LEU 60 CO 0.68 -0.70 2.04 -0.81 1.01 0.00 0.00 176.35 178.58 1wws n PRO 61 N 4.66 2.69 -3.51 1.29 -0.04 -1.26 -4.90 135.00 133.93 1wws n PRO 61 Ca 0.13 -2.67 -0.42 0.00 -0.04 0.00 0.00 63.50 60.50 1wws n PRO 61 Cb 0.43 -3.32 -0.09 0.00 -0.04 0.00 0.00 33.50 30.47 1wws n PRO 61 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wws s ILE 62 N 4.17 4.81 0.73 0.52 1.01 -1.26 -5.07 121.20 126.10 1wws s ILE 62 Ca 0.51 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1wws s ILE 62 Cb 0.11 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1wws s ILE 62 CO -0.00 -0.44 1.08 0.00 0.00 0.00 0.00 174.94 175.58 1wws s ALA 63 N 1.57 2.43 0.30 9.38 0.00 -1.26 -4.76 121.76 129.41 1wws s ALA 63 Ca 0.03 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1wws s ALA 63 Cb -0.22 -3.25 0.75 0.00 0.00 0.00 0.00 23.12 20.41 1wws s ALA 63 CO 0.06 -1.51 1.71 -0.22 0.00 0.00 0.00 175.76 175.81 1wws h LYS 64 N -0.81 0.47 -0.65 0.00 3.64 -1.98 -1.07 116.57 116.17 1wws h LYS 64 Ca -0.44 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1wws h LYS 64 Cb 1.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1wws h LYS 64 CO 0.54 0.31 0.31 0.78 -2.27 0.00 0.00 179.45 179.11 1wws h GLY 65 N 0.49 1.01 1.59 5.01 0.00 -1.99 0.43 103.07 109.61 1wws h GLY 65 Ca 0.57 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1wws h GLY 65 CO -0.49 0.48 -0.40 -2.00 0.00 0.00 0.00 176.54 174.13 1wws h LEU 66 N 0.90 0.47 -0.80 3.11 5.85 -1.61 -0.87 115.31 122.36 1wws h LEU 66 Ca 0.22 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1wws h LEU 66 Cb 0.13 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1wws h LEU 66 CO -0.03 0.83 0.39 -0.61 -0.34 0.00 0.00 178.44 178.69 1wws h GLN 67 N 0.37 1.14 -0.37 1.25 5.75 -0.71 0.41 115.11 122.96 1wws h GLN 67 Ca 0.03 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 1wws h GLN 67 Cb 0.87 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1wws h GLN 67 CO 0.07 0.88 -0.23 0.93 -2.65 0.00 0.00 178.83 177.83 1wws h GLU 68 N 1.12 0.74 -0.28 1.69 5.08 -0.43 -1.19 114.58 121.31 1wws h GLU 68 Ca 0.28 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1wws h GLU 68 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wws h GLU 68 CO -0.04 0.90 -0.11 1.15 -1.00 0.00 0.00 179.01 179.91 1wws h THR 69 N 0.64 1.22 -0.59 1.13 2.02 -0.61 -0.41 112.91 116.31 1wws h THR 69 Ca 0.09 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 1wws h THR 69 Cb 0.73 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1wws h THR 69 CO 0.06 0.31 0.11 0.25 0.37 0.00 0.00 175.52 176.62 1wws h LEU 70 N 0.44 0.92 -0.94 2.58 5.85 -0.35 0.42 115.31 124.23 1wws h LEU 70 Ca 0.08 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1wws h LEU 70 Cb 0.46 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1wws h LEU 70 CO 0.03 0.94 0.43 1.56 -0.34 0.00 0.00 178.44 181.06 1wws h GLN 71 N 0.87 1.18 -0.42 1.25 1.08 -0.59 -0.83 115.11 117.65 1wws h GLN 71 Ca 0.18 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1wws h GLN 71 Cb 0.40 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1wws h GLN 71 CO 0.01 0.89 0.22 0.93 -0.95 0.00 0.00 178.83 179.92 1wws h GLU 72 N 1.18 0.60 -0.72 1.46 4.39 -0.47 -2.61 114.58 118.41 1wws h GLU 72 Ca 0.29 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.94 1wws h GLU 72 Cb 0.07 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1wws h GLU 72 CO -0.04 0.51 0.45 0.35 -1.16 0.00 0.00 179.01 179.11 1wws h PHE 73 N 0.55 0.84 0.00 4.33 3.57 -0.24 -2.35 116.94 123.64 1wws h PHE 73 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1wws h PHE 73 Cb 0.09 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 1wws h PHE 73 CO -0.02 0.47 -0.08 0.00 -2.23 0.00 0.00 178.31 176.46 1wws h ARG 74 N 0.87 0.00 -3.30 1.11 3.08 -0.82 -3.39 114.38 111.93 1wws h ARG 74 Ca 0.29 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.62 1wws h ARG 74 Cb 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 1wws h ARG 74 CO -0.12 0.08 2.81 0.54 -1.07 0.00 0.00 179.97 182.21 1wws n ARG 75 N -3.87 3.68 -2.69 0.04 1.74 -0.89 -4.75 116.66 109.92 1wws n ARG 75 Ca -0.02 -2.98 -0.06 0.00 -0.77 0.00 0.00 57.85 54.01 1wws n ARG 75 Cb 0.17 -2.92 0.08 0.00 -1.02 0.00 0.00 32.46 28.77 1wws n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wws n ASP 77 N 3.84 -1.67 -3.67 0.55 9.92 -1.26 -5.12 116.55 119.14 1wws n ASP 77 Ca 0.57 -2.39 -0.30 0.00 -0.53 0.00 0.00 54.79 52.14 1wws n ASP 77 Cb 0.31 1.23 -0.14 0.00 -0.64 0.00 0.00 41.12 41.88 1wws n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1wws s THR 78 N 0.14 0.83 -0.31 -3.53 2.01 -1.26 -5.10 115.64 108.42 1wws s THR 78 Ca 0.17 -1.71 -0.26 0.00 0.31 0.00 0.00 61.69 60.20 1wws s THR 78 Cb 0.27 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1wws s THR 78 CO -0.08 -0.79 0.94 0.00 -0.69 0.00 0.00 174.62 174.00 1wws s ALA 79 N 1.23 3.52 -0.07 7.40 0.00 -1.26 -5.01 121.76 127.57 1wws s ALA 79 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 1wws s ALA 79 Cb -0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1wws s ALA 79 CO -0.15 -1.34 0.21 -0.51 0.00 0.00 0.00 175.76 173.97 1wws s LEU 80 N 3.31 4.40 0.39 0.00 1.43 -1.26 -5.08 118.68 121.88 1wws s LEU 80 Ca 0.39 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.83 1wws s LEU 80 Cb -0.13 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1wws s LEU 80 CO 0.14 0.36 1.06 -1.61 0.23 0.00 0.00 176.35 176.53 1wws s GLU 81 N -1.18 4.20 0.07 1.70 0.41 -1.26 -4.88 118.70 117.76 1wws s GLU 81 Ca 0.19 1.55 -0.16 0.00 -0.41 0.00 0.00 54.97 56.15 1wws s GLU 81 Cb -0.13 -2.60 -0.14 0.00 -1.78 0.00 0.00 34.13 29.48 1wws s GLU 81 CO 0.08 -0.12 1.32 1.25 -0.49 0.00 0.00 175.26 177.30 1wws h LEU 82 N 2.62 0.72 -0.60 1.80 5.85 -1.96 -3.36 115.31 120.37 1wws h LEU 82 Ca -0.48 -0.57 0.10 0.00 0.84 0.00 0.00 57.88 57.78 1wws h LEU 82 Cb 1.22 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1wws h LEU 82 CO 0.63 1.16 0.17 0.50 -0.34 0.00 0.00 178.44 180.55 1wws h LYS 83 N 0.31 0.31 -0.35 1.25 3.64 -1.97 -1.66 116.57 118.10 1wws h LYS 83 Ca -0.00 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1wws h LYS 83 Cb 1.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1wws h LYS 83 CO 0.10 0.20 0.24 -1.35 -2.27 0.00 0.00 179.45 176.37 1wws h PRO 84 N 0.32 0.30 -0.16 1.90 0.11 -1.84 0.15 132.00 132.78 1wws h PRO 84 Ca 0.31 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 1wws h PRO 84 Cb 0.43 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1wws h PRO 84 CO -0.36 0.20 -0.33 0.28 -0.21 0.00 0.00 178.00 177.58 1wws h VAL 85 N 0.31 1.35 -0.67 3.15 2.07 -1.40 -1.28 116.25 119.79 1wws h VAL 85 Ca 0.15 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1wws h VAL 85 Cb 0.22 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1wws h VAL 85 CO -0.03 0.48 0.31 -0.07 0.02 0.00 0.00 177.57 178.28 1wws h LEU 86 N 0.13 0.88 -0.32 2.57 4.07 -0.90 0.01 115.31 121.75 1wws h LEU 86 Ca 0.00 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1wws h LEU 86 Cb 0.93 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1wws h LEU 86 CO 0.07 0.77 0.20 0.44 -1.08 0.00 0.00 178.44 178.84 1wws h ASP 87 N 0.92 0.33 -0.84 -0.43 3.32 -0.68 0.75 116.42 119.79 1wws h ASP 87 Ca 0.23 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1wws h ASP 87 Cb 0.13 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1wws h ASP 87 CO -0.03 0.24 0.55 0.00 -1.72 0.00 0.00 179.24 178.28 1wws h ALA 88 N 1.13 1.07 0.00 3.45 0.00 -0.75 -2.27 119.26 121.89 1wws h ALA 88 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1wws h ALA 88 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1wws h ALA 88 CO -0.04 0.48 -0.44 -0.07 0.00 0.00 0.00 179.25 179.18 1wws h LEU 89 N 1.14 0.00 -1.61 0.00 3.38 -0.51 -2.99 115.31 114.71 1wws h LEU 89 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1wws h LEU 89 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wws h LEU 89 CO -0.07 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1wws h ALA 90 N 1.56 1.00 0.00 1.53 0.00 -0.24 -1.43 119.26 121.68 1wws h ALA 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wws h ALA 90 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wws h ALA 90 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1wws n ALA 91 N -1.89 1.70 -2.57 0.00 0.00 -1.13 -4.74 120.51 111.88 1wws n ALA 91 Ca -0.01 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1wws n ALA 91 Cb 0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1wws n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wws s LEU 92 N -4.54 3.56 0.17 0.00 1.43 -0.54 -5.06 118.68 113.70 1wws s LEU 92 Ca 0.04 -0.50 -0.34 0.00 -1.03 0.00 0.00 54.13 52.31 1wws s LEU 92 Cb 0.09 -2.14 -0.14 0.00 0.03 0.00 0.00 46.19 44.03 1wws s LEU 92 CO 0.41 -0.27 1.46 -2.65 0.23 0.00 0.00 176.35 175.53 1wws n PRO 93 N -1.28 1.88 -2.11 1.29 -0.02 -1.26 -4.92 135.00 128.58 1wws n PRO 93 Ca -0.03 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1wws n PRO 93 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1wws n PRO 93 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1wws s PRO 94 N 0.38 3.65 0.67 0.52 0.02 -1.26 -5.01 135.00 133.98 1wws s PRO 94 Ca 0.76 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.62 1wws s PRO 94 Cb -0.73 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 1wws s PRO 94 CO 0.44 -0.69 1.06 -0.51 -0.33 0.00 0.00 177.00 176.97 1wws s LEU 95 N -3.03 3.04 0.15 -5.54 1.43 -1.26 -4.98 118.68 108.49 1wws s LEU 95 Ca 0.64 1.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1wws s LEU 95 Cb -0.33 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1wws s LEU 95 CO 0.40 -1.19 1.38 0.44 0.23 0.00 0.00 176.35 177.61 1wws h ASP 96 N -0.55 0.58 -2.96 2.29 3.32 -2.01 -3.45 116.42 113.65 1wws h ASP 96 Ca -0.45 -0.40 -0.62 0.00 0.02 0.00 0.00 57.03 55.58 1wws h ASP 96 Cb 1.22 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1wws h ASP 96 CO 0.62 1.17 -0.52 -0.76 -1.72 0.00 0.00 179.24 178.03 1wws s LEU 97 N -7.99 4.25 0.53 1.55 1.43 -1.26 -5.10 118.68 112.08 1wws s LEU 97 Ca -0.07 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1wws s LEU 97 Cb 0.10 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1wws s LEU 97 CO 0.86 0.17 0.89 -1.61 0.23 0.00 0.00 176.35 176.89 1wws s GLU 98 N -2.50 3.60 0.07 1.70 2.02 -1.26 -4.88 118.70 117.46 1wws s GLU 98 Ca 0.34 0.47 -0.04 0.00 0.02 0.00 0.00 54.97 55.76 1wws s GLU 98 Cb -0.13 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 1wws s GLU 98 CO 0.27 -0.34 0.28 0.14 0.02 0.00 0.00 175.26 175.63 1wws s VAL 99 N -2.88 5.29 0.78 2.63 -7.23 -1.26 -1.57 120.40 116.16 1wws s VAL 99 Ca 0.51 -0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 1wws s VAL 99 Cb -0.11 -3.61 0.06 0.00 0.56 0.00 0.00 36.38 33.29 1wws s VAL 99 CO 0.47 0.17 1.08 0.00 -0.31 0.00 0.00 175.10 176.51 1wws s ALA 100 N -1.50 2.23 0.20 1.32 0.00 0.10 -4.75 121.76 119.37 1wws s ALA 100 Ca 0.35 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1wws s ALA 100 Cb -0.13 -3.19 0.19 0.00 0.00 0.00 0.00 23.12 19.99 1wws s ALA 100 CO 0.23 -1.72 1.62 1.49 0.00 0.00 0.00 175.76 177.37 1wws h GLU 101 N -1.09 -0.06 0.00 0.00 4.57 -1.98 0.10 114.58 116.11 1wws h GLU 101 Ca -0.46 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 1wws h GLU 101 Cb 1.24 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1wws h GLU 101 CO 0.55 -0.04 -0.22 -0.44 -1.18 0.00 0.00 179.01 177.68 1wws h ASP 102 N -0.07 0.00 0.11 1.04 3.32 -1.94 -1.61 116.42 117.27 1wws h ASP 102 Ca 0.27 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 1wws h ASP 102 Cb 0.49 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 1wws h ASP 102 CO -0.63 0.22 -1.03 0.58 -1.72 0.00 0.00 179.24 176.65 1wws h VAL 103 N 0.00 1.31 -0.33 -1.35 2.07 -1.51 -2.07 116.25 114.37 1wws h VAL 103 Ca -0.00 -2.32 0.05 0.00 0.82 0.00 0.00 66.70 65.25 1wws h VAL 103 Cb 0.47 2.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 1wws h VAL 103 CO 0.03 0.71 0.04 -0.09 0.02 0.00 0.00 177.57 178.28 1wws h ARG 104 N 0.34 0.14 0.00 1.57 2.43 -0.26 -1.53 114.38 117.08 1wws h ARG 104 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wws h ARG 104 Cb 1.68 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1wws h ARG 104 CO 0.20 0.10 0.00 -0.91 -1.51 0.00 0.00 179.97 177.84 1wws h ASN 105 N 0.15 0.00 0.89 -3.80 2.35 -1.34 -3.11 115.58 110.72 1wws h ASN 105 Ca 0.16 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 1wws h ASN 105 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1wws h ASN 105 CO -0.22 0.00 -0.94 0.25 -1.65 0.00 0.00 177.43 174.86 1wws h LEU 106 N 0.00 0.04 -0.60 1.61 5.85 -0.58 -3.37 115.31 118.26 1wws h LEU 106 Ca 0.00 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1wws h LEU 106 Cb 0.70 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 1wws h LEU 106 CO 0.00 0.96 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.73 1wws h LEU 107 N 0.01 -0.89 -1.52 2.25 3.38 -1.24 0.75 115.31 118.05 1wws h LEU 107 Ca -0.02 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1wws h LEU 107 Cb 1.65 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 42.87 1wws h LEU 107 CO 0.13 -0.27 0.20 1.55 0.09 0.00 0.00 178.44 180.14 1wws h PRO 108 N -0.10 0.52 -0.58 1.13 0.13 -1.78 -1.05 132.00 130.28 1wws h PRO 108 Ca 0.27 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.24 1wws h PRO 108 Cb 0.52 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1wws h PRO 108 CO -0.66 0.39 -0.06 0.93 -0.23 0.00 0.00 178.00 178.37 1wws h GLU 109 N 0.53 1.06 -0.52 0.86 5.08 -1.14 -1.23 114.58 119.21 1wws h GLU 109 Ca 0.14 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1wws h GLU 109 Cb 0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1wws h GLU 109 CO -0.02 1.06 0.06 -0.07 -1.00 0.00 0.00 179.01 179.04 1wws h LEU 110 N 0.95 0.79 -0.64 1.33 3.38 -0.22 0.39 115.31 121.30 1wws h LEU 110 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1wws h LEU 110 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1wws h LEU 110 CO 0.04 0.82 0.26 0.00 0.09 0.00 0.00 178.44 179.65 1wws h ALA 111 N 1.28 0.83 -0.12 1.53 0.00 -0.84 0.21 119.26 122.14 1wws h ALA 111 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wws h ALA 111 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wws h ALA 111 CO 0.01 0.45 0.05 0.78 0.00 0.00 0.00 179.25 180.54 1wws h GLY 112 N 0.90 0.20 0.49 0.00 0.00 -0.59 -1.76 103.07 102.30 1wws h GLY 112 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.52 1wws h GLY 112 CO -0.02 0.10 0.24 0.00 0.00 0.00 0.00 176.54 176.87 1wws h ALA 113 N 0.89 0.76 -0.86 3.60 0.00 0.18 -0.86 119.26 122.98 1wws h ALA 113 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1wws h ALA 113 Cb 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wws h ALA 113 CO -0.00 -0.15 0.43 -0.07 0.00 0.00 0.00 179.25 179.45 1wws h LEU 114 N 0.45 1.11 -0.58 0.00 3.38 -0.35 -0.90 115.31 118.42 1wws h LEU 114 Ca 0.29 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1wws h LEU 114 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wws h LEU 114 CO -0.26 0.92 0.05 0.58 0.09 0.00 0.00 178.44 179.82 1wws h VAL 115 N 1.21 1.26 -0.60 1.22 2.07 -0.50 0.16 116.25 121.07 1wws h VAL 115 Ca 0.30 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1wws h VAL 115 Cb 0.10 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1wws h VAL 115 CO -0.04 0.38 0.36 0.58 0.02 0.00 0.00 177.57 178.88 1wws h VAL 116 N 0.88 1.18 -0.55 2.57 2.07 -0.79 0.22 116.25 121.82 1wws h VAL 116 Ca 0.17 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1wws h VAL 116 Cb 0.48 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1wws h VAL 116 CO 0.02 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 1wws h ALA 117 N 1.18 0.74 -0.48 1.67 0.00 -0.95 -1.85 119.26 119.58 1wws h ALA 117 Ca 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wws h ALA 117 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1wws h ALA 117 CO -0.04 0.59 0.16 -0.92 0.00 0.00 0.00 179.25 179.04 1wws h TYR 118 N 0.87 0.76 -0.67 0.00 5.03 -0.52 -0.79 116.97 121.65 1wws h TYR 118 Ca 0.15 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1wws h TYR 118 Cb 0.57 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 1wws h TYR 118 CO 0.04 0.67 0.21 0.00 -1.32 0.00 0.00 178.16 177.76 1wws h ALA 119 N 1.01 0.87 0.00 1.82 0.00 -0.89 -1.95 119.26 120.12 1wws h ALA 119 Ca 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 119 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wws h ALA 119 CO -0.01 0.55 -0.39 0.00 0.00 0.00 0.00 179.25 179.40 1wws h ARG 120 N 0.97 0.00 -0.14 0.00 3.08 -1.07 -1.62 114.38 115.59 1wws h ARG 120 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1wws h ARG 120 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wws h ARG 120 CO -0.01 0.39 -0.35 0.28 -1.07 0.00 0.00 179.97 179.21 1wws h VAL 121 N 0.00 1.36 -0.63 2.04 2.07 -0.84 -2.07 116.25 118.18 1wws h VAL 121 Ca -0.00 -1.63 0.06 0.00 0.82 0.00 0.00 66.70 65.95 1wws h VAL 121 Cb 0.81 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 1wws h VAL 121 CO 0.05 0.49 0.33 -0.07 0.02 0.00 0.00 177.57 178.39 1wws h LEU 122 N 0.11 0.46 -0.73 2.57 3.38 -1.06 -1.34 115.31 118.70 1wws h LEU 122 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wws h LEU 122 Cb 0.96 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1wws h LEU 122 CO 0.08 0.30 0.40 0.50 0.09 0.00 0.00 178.44 179.80 1wws h LYS 123 N 0.60 1.01 -0.08 1.13 3.64 -1.25 -2.15 116.57 119.46 1wws h LYS 123 Ca 0.29 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1wws h LYS 123 Cb 0.22 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1wws h LYS 123 CO -0.20 0.75 -0.22 0.93 -2.27 0.00 0.00 179.45 178.45 1wws h GLU 124 N 1.00 0.14 0.46 1.90 4.39 -0.62 -1.32 114.58 120.54 1wws h GLU 124 Ca 0.26 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1wws h GLU 124 Cb 0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1wws h GLU 124 CO -0.04 0.35 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.80 1wws h LEU 125 N 0.13 -0.73 -6.84 1.33 3.38 -0.60 -3.38 115.31 108.61 1wws h LEU 125 Ca 0.02 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.45 1wws h LEU 125 Cb 0.46 0.22 -0.40 0.00 0.09 0.00 0.00 40.66 41.03 1wws h LEU 125 CO 0.03 -0.46 -0.79 -0.62 0.09 0.00 0.00 178.44 176.70 1wws s ASP 126 N -4.57 3.41 0.03 -0.43 -1.08 -1.11 -4.99 116.67 107.93 1wws s ASP 126 Ca -0.17 -2.26 0.01 0.00 -0.52 0.00 0.00 52.55 49.61 1wws s ASP 126 Cb 0.05 -0.72 0.05 0.00 -1.46 0.00 0.00 42.92 40.84 1wws s ASP 126 CO 0.63 -0.31 0.78 -2.65 0.52 0.00 0.00 175.17 174.14 1wws n PRO 127 N 3.99 0.01 0.00 4.34 -0.02 -0.51 0.41 135.00 143.21 1wws n PRO 127 Ca 0.08 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1wws n PRO 127 Cb 0.37 -1.80 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1wws n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wws n ALA 128 N -1.26 3.15 -1.72 3.55 0.00 -1.26 -5.01 120.51 117.96 1wws n ALA 128 Ca -0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1wws n ALA 128 Cb 0.28 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1wws n ALA 128 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wws n LEU 129 N 0.14 3.84 -0.03 0.00 0.00 0.17 -4.93 117.00 116.18 1wws n LEU 129 Ca 0.08 1.21 -0.05 0.00 0.00 0.00 0.00 56.01 57.25 1wws n LEU 129 Cb 0.40 -1.52 -0.02 0.00 0.00 0.00 0.00 43.42 42.28 1wws n LEU 129 CO 0.21 -0.31 -0.68 0.29 0.00 0.00 0.00 177.39 176.89 1wws n LYS 130 N 0.65 0.13 -3.67 1.96 5.02 -1.26 -4.85 118.16 116.13 1wws n LYS 130 Ca 0.04 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 1wws n LYS 130 Cb 0.36 -0.97 -0.18 0.00 -0.02 0.00 0.00 35.03 34.23 1wws n LYS 130 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wws s ASN 131 N -4.86 1.67 0.37 4.39 3.84 -1.26 0.67 114.94 119.76 1wws s ASN 131 Ca -0.08 -0.20 -0.27 0.00 0.21 0.00 0.00 52.86 52.52 1wws s ASN 131 Cb 0.02 -0.25 -0.11 0.00 -0.55 0.00 0.00 41.25 40.36 1wws s ASN 131 CO 0.12 -0.27 1.35 -2.65 -2.79 0.00 0.00 177.10 172.85 1wws n PRO 132 N 5.25 2.25 -4.34 0.43 -0.02 -1.25 -5.00 135.00 132.31 1wws n PRO 132 Ca -0.05 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 1wws n PRO 132 Cb 0.50 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1wws n PRO 132 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wws s GLN 133 N -2.03 2.08 0.29 -0.52 -0.21 -1.26 -4.95 119.66 113.06 1wws s GLN 133 Ca 0.56 -1.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.11 1wws s GLN 133 Cb -0.53 -1.89 0.67 0.00 1.00 0.00 0.00 33.01 32.26 1wws s GLN 133 CO 0.62 0.06 1.58 1.15 -2.12 0.00 0.00 175.29 176.58 1wws h THR 134 N 1.74 0.08 -0.66 -0.19 2.02 -1.99 0.38 112.91 114.29 1wws h THR 134 Ca -0.43 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1wws h THR 134 Cb 1.25 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1wws h THR 134 CO 0.69 0.01 0.38 -0.33 0.37 0.00 0.00 175.52 176.64 1wws h GLU 135 N 0.03 0.89 -0.28 6.66 5.08 -1.99 -0.62 114.58 124.35 1wws h GLU 135 Ca 0.55 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1wws h GLU 135 Cb 1.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1wws h GLU 135 CO -0.88 0.64 -0.47 0.45 -1.00 0.00 0.00 179.01 177.75 1wws h HIS 136 N 0.91 0.91 -0.43 4.33 3.86 -0.66 -2.62 115.15 121.45 1wws h HIS 136 Ca 0.24 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1wws h HIS 136 Cb -0.01 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1wws h HIS 136 CO 0.00 1.07 0.02 0.45 0.86 0.00 0.00 177.93 180.34 1wws h HIS 137 N 0.59 0.81 -0.93 2.45 3.86 -0.72 -0.35 115.15 120.86 1wws h HIS 137 Ca 0.03 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1wws h HIS 137 Cb 1.03 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 1wws h HIS 137 CO 0.05 0.79 0.59 0.93 0.86 0.00 0.00 177.93 181.16 1wws h GLU 138 N 0.60 1.05 -0.15 2.45 5.08 -1.08 0.91 114.58 123.44 1wws h GLU 138 Ca 0.13 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1wws h GLU 138 Cb 0.45 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wws h GLU 138 CO 0.02 0.70 -0.48 0.00 -1.00 0.00 0.00 179.01 178.24 1wws h ARG 139 N 1.08 0.59 -0.51 2.33 3.08 -1.21 -1.90 114.38 117.85 1wws h ARG 139 Ca 0.40 -0.44 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1wws h ARG 139 Cb 0.15 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1wws h ARG 139 CO -0.17 1.06 0.04 0.00 -1.07 0.00 0.00 179.97 179.83 1wws h ALA 140 N 0.54 1.12 -0.56 0.04 0.00 -0.74 -1.00 119.26 118.67 1wws h ALA 140 Ca -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1wws h ALA 140 Cb 1.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wws h ALA 140 CO 0.10 0.57 0.16 0.93 0.00 0.00 0.00 179.25 181.01 1wws h GLU 141 N 0.77 0.88 -0.69 0.00 5.08 -0.79 -1.11 114.58 118.72 1wws h GLU 141 Ca 0.16 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1wws h GLU 141 Cb 0.41 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1wws h GLU 141 CO 0.01 0.81 0.26 0.00 -1.00 0.00 0.00 179.01 179.09 1wws h ARG 142 N 0.79 1.03 -0.11 2.33 3.08 -0.81 0.03 114.38 120.71 1wws h ARG 142 Ca 0.18 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wws h ARG 142 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1wws h ARG 142 CO -0.00 0.85 0.06 0.28 -1.07 0.00 0.00 179.97 180.09 1wws h VAL 143 N 1.00 1.09 -0.83 2.04 2.07 -0.80 -2.73 116.25 118.10 1wws h VAL 143 Ca 0.23 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1wws h VAL 143 Cb 0.22 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1wws h VAL 143 CO -0.02 0.08 0.52 -0.26 0.02 0.00 0.00 177.57 177.91 1wws h PHE 144 N 0.09 1.07 0.00 1.57 0.05 -0.85 -2.60 116.94 116.26 1wws h PHE 144 Ca 0.04 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1wws h PHE 144 Cb 0.07 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 37.67 1wws h PHE 144 CO -0.04 0.70 -0.05 -0.91 -0.18 0.00 0.00 178.31 177.82 1wws h ASN 145 N 1.13 0.00 0.98 2.17 -0.26 -0.69 0.61 115.58 119.52 1wws h ASN 145 Ca 0.30 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.96 1wws h ASN 145 Cb -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1wws h ASN 145 CO -0.06 0.05 -0.38 -0.07 -1.06 0.00 0.00 177.43 175.91 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.27 -3.37 115.31 115.66 1wws h LEU 146 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wws h LEU 146 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wws h LEU 146 CO 0.01 0.38 -1.00 0.18 0.09 0.00 0.00 178.44 178.10 1wws n LEU 147 N -3.45 0.00 0.00 1.67 4.77 -0.76 -5.16 117.00 114.07 1wws n LEU 147 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wws n LEU 147 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1wws n LEU 147 CO 0.37 0.00 0.24 0.18 -1.33 0.00 0.00 177.39 176.85