#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 3.63 0.24 3.23 1.02 -1.26 -3.66 119.74 122.94 1wws s LYS 4 Ca 0.00 0.15 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 1wws s LYS 4 Cb 0.00 -2.50 0.42 0.00 -0.52 0.00 0.00 37.83 35.23 1wws s LYS 4 CO 0.00 0.01 1.76 0.28 -0.92 0.00 0.00 175.35 176.48 1wws h VAL 5 N 0.88 0.77 -0.78 3.17 2.07 -2.02 -1.54 116.25 118.79 1wws h VAL 5 Ca -0.48 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1wws h VAL 5 Cb 1.20 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1wws h VAL 5 CO 0.64 0.10 0.50 0.00 0.02 0.00 0.00 177.57 178.83 1wws h ALA 6 N 1.49 1.02 -0.34 1.67 0.00 -2.04 -1.33 119.26 119.73 1wws h ALA 6 Ca 0.40 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 1wws h ALA 6 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wws h ALA 6 CO -0.33 0.33 -0.16 0.93 0.00 0.00 0.00 179.25 180.03 1wws h GLU 7 N 1.00 0.61 0.21 0.00 5.08 -1.74 0.57 114.58 120.31 1wws h GLU 7 Ca 0.31 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1wws h GLU 7 Cb -0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1wws h GLU 7 CO -0.10 0.75 -0.10 0.74 -1.00 0.00 0.00 179.01 179.30 1wws h PHE 8 N 0.55 -0.26 -0.70 4.33 0.04 -0.79 -1.41 116.94 118.70 1wws h PHE 8 Ca 0.09 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.91 1wws h PHE 8 Cb 0.59 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 1wws h PHE 8 CO 0.02 0.02 0.40 0.93 -0.60 0.00 0.00 178.31 179.09 1wws h GLU 9 N -0.53 0.72 -0.41 1.51 5.08 -1.14 0.16 114.58 119.97 1wws h GLU 9 Ca -0.03 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1wws h GLU 9 Cb 0.40 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1wws h GLU 9 CO 0.05 0.48 0.18 -0.09 -1.00 0.00 0.00 179.01 178.62 1wws h ARG 10 N 0.75 0.35 -0.27 2.33 2.43 -0.77 -1.59 114.38 117.61 1wws h ARG 10 Ca 0.31 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 1wws h ARG 10 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1wws h ARG 10 CO -0.17 0.23 -0.58 -0.07 -1.51 0.00 0.00 179.97 177.87 1wws h LEU 11 N 0.36 0.97 -1.18 3.80 3.38 -0.64 -0.46 115.31 121.54 1wws h LEU 11 Ca 0.18 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1wws h LEU 11 Cb 0.13 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1wws h LEU 11 CO -0.16 1.34 0.56 -0.26 0.09 0.00 0.00 178.44 180.01 1wws h PHE 12 N 0.64 1.04 0.19 1.13 -1.00 -0.42 0.15 116.94 118.68 1wws h PHE 12 Ca 0.00 0.02 -0.34 0.00 2.81 0.00 0.00 57.97 60.46 1wws h PHE 12 Cb 1.19 -0.35 0.01 0.00 3.61 0.00 0.00 35.95 40.41 1wws h PHE 12 CO 0.08 0.64 -1.68 0.07 -1.61 0.00 0.00 178.31 175.81 1wws h ARG 13 N 1.11 0.40 0.00 1.51 0.11 -1.23 -1.50 114.38 114.78 1wws h ARG 13 Ca 0.32 -0.69 -0.06 0.00 0.10 0.00 0.00 59.98 59.64 1wws h ARG 13 Cb -0.08 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1wws h ARG 13 CO -0.08 1.32 -0.30 0.37 0.10 0.00 0.00 179.97 181.38 1wws h GLN 14 N 0.11 0.00 0.04 0.08 4.15 -0.92 1.24 115.11 119.82 1wws h GLN 14 Ca -0.32 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.77 1wws h GLN 14 Cb 2.10 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.75 1wws h GLN 14 CO 0.19 0.30 -1.98 0.00 -1.93 0.00 0.00 178.83 175.41 1wws n ALA 15 N -2.33 1.30 -1.12 3.38 0.00 0.51 -4.68 120.51 117.57 1wws n ALA 15 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1wws n ALA 15 Cb 0.41 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1wws n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wws n ALA 16 N -2.80 0.96 -2.13 0.00 0.00 -0.91 -4.76 120.51 110.87 1wws n ALA 16 Ca -0.27 -0.42 -0.19 0.00 0.00 0.00 0.00 53.44 52.56 1wws n ALA 16 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.48 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 0.25 3.85 0.00 0.00 0.43 -4.91 105.19 104.80 1wws n GLY 17 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.46 4.18 -0.68 0.99 1.43 -0.61 -4.83 118.68 113.69 1wws s LEU 18 Ca 0.00 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1wws s LEU 18 Cb 0.00 -3.80 0.18 0.00 0.03 0.00 0.00 46.19 42.60 1wws s LEU 18 CO 0.00 -0.09 0.53 -0.62 0.23 0.00 0.00 176.35 176.40 1wws s ASP 19 N -2.10 5.72 0.32 2.29 2.15 0.10 -3.12 116.67 122.04 1wws s ASP 19 Ca 0.48 -2.76 -0.27 0.00 0.43 0.00 0.00 52.55 50.44 1wws s ASP 19 Cb -0.12 -1.97 -0.09 0.00 -0.30 0.00 0.00 42.92 40.43 1wws s ASP 19 CO 0.19 -0.45 1.01 0.54 -0.17 0.00 0.00 175.17 176.30 1wws s VAL 20 N 0.08 3.87 0.65 1.11 0.11 -1.26 -3.83 120.40 121.13 1wws s VAL 20 Ca 0.17 1.65 -0.11 0.00 -2.93 0.00 0.00 61.98 60.75 1wws s VAL 20 Cb -0.17 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.71 1wws s VAL 20 CO -0.05 0.21 1.04 -1.81 -3.33 0.00 0.00 175.10 171.17 1wws s ASP 21 N -1.36 5.87 0.26 3.54 1.01 -1.26 -4.98 116.67 119.75 1wws s ASP 21 Ca 0.50 1.25 0.19 0.00 0.71 0.00 0.00 52.55 55.20 1wws s ASP 21 Cb -0.24 -2.20 0.09 0.00 1.01 0.00 0.00 42.92 41.58 1wws s ASP 21 CO 0.30 -1.07 1.28 0.11 0.21 0.00 0.00 175.17 176.00 1wws h LYS 22 N -0.44 0.00 0.00 8.23 1.57 -2.00 -3.24 116.57 120.70 1wws h LYS 22 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1wws h LYS 22 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1wws h LYS 22 CO 0.63 0.20 -0.01 0.27 -0.57 0.00 0.00 179.45 179.97 1wws n ASN 23 N -3.00 0.06 -0.00 0.86 6.94 -1.26 -3.28 115.26 115.58 1wws n ASN 23 Ca -0.00 0.49 0.09 0.00 -0.02 0.00 0.00 54.58 55.14 1wws n ASN 23 Cb 0.65 -0.50 -0.12 0.00 -2.36 0.00 0.00 39.78 37.45 1wws n ASN 23 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1wws n ASP 24 N -1.54 0.79 -0.30 0.53 8.00 -1.23 -4.53 116.55 118.27 1wws n ASP 24 Ca 0.07 -0.45 -0.05 0.00 0.71 0.00 0.00 54.79 55.07 1wws n ASP 24 Cb 0.35 1.44 0.07 0.00 -0.02 0.00 0.00 41.12 42.95 1wws n ASP 24 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wws h LEU 25 N 0.00 0.99 -0.83 0.64 3.38 -1.58 -1.64 115.31 116.27 1wws h LEU 25 Ca 0.00 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 25 Cb 0.65 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1wws h LEU 25 CO 0.00 0.78 0.51 0.50 0.09 0.00 0.00 178.44 180.31 1wws h LYS 26 N 1.12 0.90 -0.18 1.13 1.63 -1.80 0.19 116.57 119.56 1wws h LYS 26 Ca 0.29 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.84 1wws h LYS 26 Cb -0.02 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1wws h LYS 26 CO -0.05 0.59 -0.66 -0.09 -3.45 0.00 0.00 179.45 175.79 1wws h ARG 27 N 0.92 0.68 -0.43 1.90 9.65 -1.77 -1.91 114.38 123.42 1wws h ARG 27 Ca 0.36 -0.49 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1wws h ARG 27 Cb 0.18 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 1wws h ARG 27 CO -0.18 1.11 0.13 0.28 2.80 0.00 0.00 179.97 184.11 1wws h VAL 28 N 0.49 1.22 -0.33 0.20 2.07 -0.69 0.87 116.25 120.08 1wws h VAL 28 Ca -0.02 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1wws h VAL 28 Cb 1.25 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1wws h VAL 28 CO 0.13 0.26 0.18 -1.28 0.02 0.00 0.00 177.57 176.88 1wws h SER 29 N 0.55 0.41 -0.46 0.57 0.87 -0.61 0.10 113.55 114.99 1wws h SER 29 Ca 0.14 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 1wws h SER 29 Cb 0.27 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1wws h SER 29 CO -0.00 0.38 -0.11 0.44 -0.53 0.00 0.00 176.83 177.01 1wws h ASP 30 N 0.41 0.89 -0.33 6.23 3.32 -1.25 0.74 116.42 126.43 1wws h ASP 30 Ca 0.12 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1wws h ASP 30 Cb 0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1wws h ASP 30 CO -0.02 1.05 0.15 0.15 -1.72 0.00 0.00 179.24 178.85 1wws h PHE 31 N 0.73 0.47 0.00 4.55 3.57 -0.59 -0.10 116.94 125.57 1wws h PHE 31 Ca 0.12 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1wws h PHE 31 Cb 0.65 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1wws h PHE 31 CO 0.05 0.42 -0.57 -0.07 -2.23 0.00 0.00 178.31 175.91 1wws h LEU 32 N 0.39 0.00 -0.40 0.59 3.38 -0.94 -2.25 115.31 116.08 1wws h LEU 32 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wws h LEU 32 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wws h LEU 32 CO -0.01 0.57 0.13 -0.09 0.09 0.00 0.00 178.44 179.13 1wws h ARG 33 N 0.00 0.61 -0.65 1.13 2.43 -0.52 -0.07 114.38 117.31 1wws h ARG 33 Ca -0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wws h ARG 33 Cb 1.10 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1wws h ARG 33 CO 0.07 0.61 0.42 -0.91 -1.51 0.00 0.00 179.97 178.65 1wws h ASN 34 N 0.50 0.76 -0.54 -3.80 2.35 -0.72 0.16 115.58 114.28 1wws h ASN 34 Ca 0.13 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1wws h ASN 34 Cb 0.24 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1wws h ASN 34 CO -0.01 0.56 0.09 0.11 -1.65 0.00 0.00 177.43 176.54 1wws h LYS 35 N 0.88 0.89 -0.66 0.81 1.79 -1.15 -0.21 116.57 118.92 1wws h LYS 35 Ca 0.24 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1wws h LYS 35 Cb -0.08 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 1wws h LYS 35 CO -0.05 0.86 0.24 1.25 -1.08 0.00 0.00 179.45 180.67 1wws h LEU 36 N 0.78 0.93 -0.73 2.94 5.85 -0.55 -0.80 115.31 123.73 1wws h LEU 36 Ca 0.16 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1wws h LEU 36 Cb 0.40 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1wws h LEU 36 CO 0.01 0.87 0.39 0.22 -0.34 0.00 0.00 178.44 179.58 1wws h TYR 37 N 0.94 1.02 -0.04 1.25 3.20 -0.45 -2.00 116.97 120.90 1wws h TYR 37 Ca 0.22 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1wws h TYR 37 Cb 0.25 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1wws h TYR 37 CO 0.02 0.73 -0.20 -0.44 -1.64 0.00 0.00 178.16 176.63 1wws h ASP 38 N 1.02 0.06 -0.31 -2.11 3.32 -0.44 0.12 116.42 118.07 1wws h ASP 38 Ca 0.26 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1wws h ASP 38 Cb 0.06 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1wws h ASP 38 CO -0.04 0.26 0.06 -0.07 -1.72 0.00 0.00 179.24 177.74 1wws h LEU 39 N 0.06 0.48 -1.33 1.55 3.38 -0.46 -2.03 115.31 116.96 1wws h LEU 39 Ca 0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1wws h LEU 39 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wws h LEU 39 CO 0.03 0.61 -0.24 -0.07 0.09 0.00 0.00 178.44 178.85 1wws h LEU 40 N 0.34 0.13 -0.39 1.67 3.38 -0.76 0.35 115.31 120.04 1wws h LEU 40 Ca 0.10 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1wws h LEU 40 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1wws h LEU 40 CO 0.00 0.39 -0.33 0.00 0.09 0.00 0.00 178.44 178.59 1wws h ALA 41 N 1.63 0.56 -0.42 1.53 0.00 -0.55 -0.59 119.26 121.42 1wws h ALA 41 Ca 0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1wws h ALA 41 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wws h ALA 41 CO 0.04 0.63 -0.33 0.28 0.00 0.00 0.00 179.25 179.87 1wws h VAL 42 N 0.73 1.27 -0.91 0.00 2.07 -1.08 -2.97 116.25 115.36 1wws h VAL 42 Ca 0.07 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1wws h VAL 42 Cb 0.92 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1wws h VAL 42 CO 0.09 0.51 0.59 0.00 0.02 0.00 0.00 177.57 178.77 1wws h ALA 43 N 0.82 1.20 -0.55 1.67 0.00 -0.70 -1.22 119.26 120.49 1wws h ALA 43 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wws h ALA 43 Cb 0.91 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1wws h ALA 43 CO 0.09 0.45 0.32 1.49 0.00 0.00 0.00 179.25 181.59 1wws h GLU 44 N 1.14 0.60 -0.87 0.00 4.81 -0.96 0.11 114.58 119.42 1wws h GLU 44 Ca 0.36 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1wws h GLU 44 Cb 0.00 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1wws h GLU 44 CO -0.12 0.40 0.44 -0.09 -0.73 0.00 0.00 179.01 178.91 1wws h ARG 45 N 0.62 1.23 -0.13 1.92 2.43 -1.20 -1.97 114.38 117.28 1wws h ARG 45 Ca 0.23 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1wws h ARG 45 Cb 0.06 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1wws h ARG 45 CO -0.12 0.93 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.86 1wws h ASN 46 N 1.22 0.37 -0.28 -3.80 2.35 -0.49 -1.47 115.58 113.49 1wws h ASN 46 Ca 0.30 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1wws h ASN 46 Cb 0.08 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1wws h ASN 46 CO -0.04 0.81 0.14 0.00 -1.65 0.00 0.00 177.43 176.68 1wws h ALA 47 N 1.20 0.36 -0.70 -0.83 0.00 -0.39 -2.01 119.26 116.89 1wws h ALA 47 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 47 Cb 0.97 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1wws h ALA 47 CO 0.08 -0.08 0.19 0.87 0.00 0.00 0.00 179.25 180.32 1wws h LYS 48 N 0.32 1.11 -0.63 0.00 1.57 -1.23 0.10 116.57 117.81 1wws h LYS 48 Ca 0.10 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1wws h LYS 48 Cb 0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1wws h LYS 48 CO -0.01 0.96 0.42 -0.92 -0.57 0.00 0.00 179.45 179.32 1wws h TYR 49 N 1.06 0.72 -0.34 -1.35 5.03 -1.01 -0.85 116.97 120.22 1wws h TYR 49 Ca 0.22 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1wws h TYR 49 Cb 0.34 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.38 1wws h TYR 49 CO 0.03 0.42 0.00 0.09 -1.32 0.00 0.00 178.16 177.37 1wws n ASN 50 N -4.46 3.29 -1.54 -2.11 3.02 -0.78 -4.90 115.26 107.78 1wws n ASN 50 Ca 0.08 -2.39 -0.14 0.00 -0.03 0.00 0.00 54.58 52.09 1wws n ASN 50 Cb 0.13 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.55 0.02 3.64 7.41 0.00 -0.32 -5.02 105.19 111.46 1wws n GLY 51 Ca 0.15 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.50 2.32 -0.08 1.61 0.52 0.29 -5.00 118.95 114.11 1wws s ARG 52 Ca 0.00 -1.11 0.13 0.00 -0.52 0.00 0.00 55.73 54.23 1wws s ARG 52 Cb 0.00 -2.33 0.40 0.00 0.52 0.00 0.00 34.95 33.54 1wws s ARG 52 CO 0.00 0.46 1.32 -3.47 0.02 0.00 0.00 175.30 173.63 1wws n ASP 53 N 0.05 3.32 -3.81 0.23 2.03 -1.26 -3.71 116.55 113.40 1wws n ASP 53 Ca -0.10 -2.44 -0.13 0.00 0.52 0.00 0.00 54.79 52.64 1wws n ASP 53 Cb 0.55 -0.36 -0.14 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.79 1.36 -0.12 -2.67 2.96 -1.26 -4.00 118.68 113.16 1wws s LEU 54 Ca 0.31 0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 54.18 1wws s LEU 54 Cb 0.21 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 1wws s LEU 54 CO 0.13 -0.07 0.76 -0.63 -1.32 0.00 0.00 176.35 175.22 1wws s ILE 55 N 0.43 4.96 0.40 6.68 1.01 -0.52 -4.88 121.20 129.29 1wws s ILE 55 Ca -0.03 1.52 0.07 0.00 0.00 0.00 0.00 60.65 62.22 1wws s ILE 55 Cb -0.05 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1wws s ILE 55 CO -0.02 0.13 0.13 -0.36 0.00 0.00 0.00 174.94 174.82 1wws s PHE 56 N 1.52 2.59 0.17 3.97 0.08 -1.26 0.11 117.98 125.16 1wws s PHE 56 Ca 0.37 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.67 1wws s PHE 56 Cb -0.17 -1.87 0.11 0.00 -0.57 0.00 0.00 43.02 40.52 1wws s PHE 56 CO 0.15 0.27 1.67 1.49 -0.10 0.00 0.00 175.22 178.70 1wws h GLU 57 N 1.54 0.01 0.00 0.44 4.81 -1.96 -1.80 114.58 117.61 1wws h GLU 57 Ca -0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1wws h GLU 57 Cb 1.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1wws h GLU 57 CO 0.72 0.00 0.11 -1.35 -0.73 0.00 0.00 179.01 177.77 1wws h PRO 58 N 0.01 0.00 0.00 0.92 0.11 -2.02 -0.76 132.00 130.26 1wws h PRO 58 Ca 0.20 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 1wws h PRO 58 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1wws h PRO 58 CO -0.43 0.00 -0.58 -0.44 -0.21 0.00 0.00 178.00 176.34 1wws h ASP 59 N 0.00 0.00 -3.36 -2.05 3.32 -1.65 -3.44 116.42 109.24 1wws h ASP 59 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1wws h ASP 59 Cb 0.23 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wws h ASP 59 CO 0.00 0.58 0.61 -0.76 -1.72 0.00 0.00 179.24 177.95 1wws s LEU 60 N -7.52 4.42 -1.26 1.55 1.02 -0.29 -3.78 118.68 112.81 1wws s LEU 60 Ca -0.01 2.27 -0.19 0.00 0.02 0.00 0.00 54.13 56.22 1wws s LEU 60 Cb 0.12 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.74 1wws s LEU 60 CO 0.75 -0.47 1.90 -0.81 0.02 0.00 0.00 176.35 177.74 1wws n PRO 61 N 2.89 2.63 -3.56 1.29 -0.04 -1.26 -4.90 135.00 132.04 1wws n PRO 61 Ca 0.06 -2.84 -0.41 0.00 -0.04 0.00 0.00 63.50 60.27 1wws n PRO 61 Cb 0.44 -3.45 -0.10 0.00 -0.04 0.00 0.00 33.50 30.35 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 5.55 4.52 0.89 0.52 1.01 -1.26 -5.07 121.20 127.35 1wws s ILE 62 Ca 0.56 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1wws s ILE 62 Cb 0.06 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.98 1wws s ILE 62 CO 0.06 -0.43 1.12 0.00 0.00 0.00 0.00 174.94 175.69 1wws s ALA 63 N 1.50 1.82 0.23 9.38 0.00 -1.26 -4.78 121.76 128.66 1wws s ALA 63 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 1wws s ALA 63 Cb -0.22 -3.07 0.41 0.00 0.00 0.00 0.00 23.12 20.24 1wws s ALA 63 CO 0.04 -2.18 1.74 -0.22 0.00 0.00 0.00 175.76 175.14 1wws h LYS 64 N -1.42 0.44 -0.18 0.00 3.64 -1.98 -1.17 116.57 115.89 1wws h LYS 64 Ca -0.50 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1wws h LYS 64 Cb 1.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1wws h LYS 64 CO 0.60 0.29 0.03 0.78 -2.27 0.00 0.00 179.45 178.88 1wws h GLY 65 N 0.45 0.19 1.83 5.01 0.00 -1.99 0.07 103.07 108.63 1wws h GLY 65 Ca 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1wws h GLY 65 CO -0.37 -0.01 -0.32 -2.00 0.00 0.00 0.00 176.54 173.85 1wws h LEU 66 N 0.10 0.20 -0.59 3.11 5.85 -1.83 -1.38 115.31 120.78 1wws h LEU 66 Ca 0.08 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1wws h LEU 66 Cb 0.08 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1wws h LEU 66 CO -0.11 0.51 0.10 -0.61 -0.34 0.00 0.00 178.44 177.99 1wws h GLN 67 N 0.18 0.96 -0.09 1.25 5.75 -0.59 0.13 115.11 122.71 1wws h GLN 67 Ca 0.02 -0.25 -0.11 0.00 -0.15 0.00 0.00 58.65 58.16 1wws h GLN 67 Cb 0.65 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1wws h GLN 67 CO 0.05 0.91 -0.45 0.93 -2.65 0.00 0.00 178.83 177.62 1wws h GLU 68 N 0.87 0.21 -0.19 1.69 5.08 -0.58 -2.03 114.58 119.61 1wws h GLU 68 Ca 0.18 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1wws h GLU 68 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1wws h GLU 68 CO 0.01 0.62 -0.39 1.15 -1.00 0.00 0.00 179.01 179.40 1wws h THR 69 N 0.17 1.30 -0.55 1.13 2.02 -0.75 -1.77 112.91 114.46 1wws h THR 69 Ca 0.01 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 1wws h THR 69 Cb 0.86 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1wws h THR 69 CO 0.07 0.47 0.16 0.25 0.37 0.00 0.00 175.52 176.84 1wws h LEU 70 N 0.36 0.81 -1.02 2.58 5.85 -0.51 -1.50 115.31 121.88 1wws h LEU 70 Ca 0.04 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wws h LEU 70 Cb 0.84 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1wws h LEU 70 CO 0.07 0.81 0.61 1.56 -0.34 0.00 0.00 178.44 181.15 1wws h GLN 71 N 0.77 1.28 -0.16 1.25 4.20 -0.97 -0.81 115.11 120.68 1wws h GLN 71 Ca 0.18 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1wws h GLN 71 Cb 0.29 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wws h GLN 71 CO -0.00 0.86 -0.34 0.93 -0.67 0.00 0.00 178.83 179.61 1wws h GLU 72 N 1.31 0.33 -0.48 1.46 5.08 -0.90 -2.62 114.58 118.75 1wws h GLU 72 Ca 0.35 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1wws h GLU 72 Cb -0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1wws h GLU 72 CO -0.07 0.63 -0.03 0.35 -1.00 0.00 0.00 179.01 178.89 1wws h PHE 73 N 0.28 0.95 0.00 4.33 3.57 -0.39 -2.61 116.94 123.08 1wws h PHE 73 Ca 0.03 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1wws h PHE 73 Cb 0.74 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1wws h PHE 73 CO 0.02 0.91 0.00 0.54 -2.23 0.00 0.00 178.31 177.55 1wws n ARG 74 N -4.31 0.00 -3.15 1.11 1.74 -0.39 -4.38 116.66 107.27 1wws n ARG 74 Ca 0.00 0.43 -0.37 0.00 -0.77 0.00 0.00 57.85 57.15 1wws n ARG 74 Cb 0.33 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1wws n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wws n ARG 75 N -1.49 3.80 -2.71 5.56 1.74 -0.99 -4.89 116.66 117.68 1wws n ARG 75 Ca 0.01 -4.60 -0.07 0.00 -0.77 0.00 0.00 57.85 52.41 1wws n ARG 75 Cb 0.04 -2.42 0.09 0.00 -1.02 0.00 0.00 32.46 29.15 1wws n ARG 75 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wws n ASP 77 N 1.15 -1.98 -3.58 0.55 4.64 -1.26 -5.10 116.55 110.98 1wws n ASP 77 Ca 0.27 -2.90 -0.29 0.00 -1.38 0.00 0.00 54.79 50.49 1wws n ASP 77 Cb 0.36 1.45 -0.14 0.00 -1.04 0.00 0.00 41.12 41.75 1wws n ASP 77 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1wws s THR 78 N 0.20 0.42 -0.19 5.18 2.01 -1.26 -5.11 115.64 116.89 1wws s THR 78 Ca 0.20 -1.49 -0.26 0.00 0.31 0.00 0.00 61.69 60.45 1wws s THR 78 Cb 0.31 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1wws s THR 78 CO -0.08 -0.83 0.89 0.00 -0.69 0.00 0.00 174.62 173.91 1wws s ALA 79 N 1.38 3.57 -0.15 7.40 0.00 -1.26 -5.02 121.76 127.69 1wws s ALA 79 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 1wws s ALA 79 Cb -0.20 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1wws s ALA 79 CO -0.16 -0.79 0.07 -0.51 0.00 0.00 0.00 175.76 174.37 1wws s LEU 80 N 2.50 3.90 0.56 0.00 1.43 -1.26 -5.09 118.68 120.73 1wws s LEU 80 Ca 0.40 0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 1wws s LEU 80 Cb -0.16 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1wws s LEU 80 CO 0.10 0.25 1.14 -1.61 0.23 0.00 0.00 176.35 176.47 1wws s GLU 81 N -0.11 3.23 -0.05 1.70 2.02 -1.26 -4.85 118.70 119.38 1wws s GLU 81 Ca 0.07 1.63 -0.24 0.00 0.02 0.00 0.00 54.97 56.46 1wws s GLU 81 Cb -0.12 -1.99 -0.25 0.00 0.10 0.00 0.00 34.13 31.87 1wws s GLU 81 CO 0.01 -0.95 1.00 1.25 0.02 0.00 0.00 175.26 176.58 1wws h LEU 82 N 1.03 0.30 -0.90 1.80 6.46 -1.96 -3.38 115.31 118.66 1wws h LEU 82 Ca -0.50 -0.82 0.14 0.00 -0.12 0.00 0.00 57.88 56.58 1wws h LEU 82 Cb 1.27 -0.09 -0.15 0.00 -0.73 0.00 0.00 40.66 40.95 1wws h LEU 82 CO 0.56 1.09 -0.37 0.50 -0.62 0.00 0.00 178.44 179.60 1wws h LYS 83 N -0.45 -0.04 -0.94 1.25 3.11 -1.97 -0.44 116.57 117.10 1wws h LYS 83 Ca -0.05 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.86 1wws h LYS 83 Cb 1.17 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.34 1wws h LYS 83 CO 0.07 -0.02 0.59 -1.35 -2.81 0.00 0.00 179.45 175.93 1wws h PRO 84 N -0.04 1.04 0.10 1.90 0.11 -1.84 -0.64 132.00 132.62 1wws h PRO 84 Ca 0.33 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 1wws h PRO 84 Cb 0.59 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1wws h PRO 84 CO -0.92 0.68 -0.05 0.28 -0.21 0.00 0.00 178.00 177.79 1wws h VAL 85 N 1.07 1.04 -0.54 3.15 2.07 -1.18 -1.12 116.25 120.74 1wws h VAL 85 Ca 0.41 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1wws h VAL 85 Cb 0.20 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1wws h VAL 85 CO -0.18 0.13 0.36 -0.07 0.02 0.00 0.00 177.57 177.82 1wws h LEU 86 N -0.37 0.62 -1.15 2.57 3.38 -1.11 -0.47 115.31 118.78 1wws h LEU 86 Ca -0.01 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1wws h LEU 86 Cb 0.31 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1wws h LEU 86 CO 0.02 0.45 0.58 0.44 0.09 0.00 0.00 178.44 180.02 1wws h ASP 87 N 0.73 0.96 -0.41 -0.43 3.32 -1.05 0.08 116.42 119.61 1wws h ASP 87 Ca 0.20 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 1wws h ASP 87 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1wws h ASP 87 CO -0.04 0.66 -0.33 0.00 -1.72 0.00 0.00 179.24 177.80 1wws h ALA 88 N 1.48 0.62 0.00 3.45 0.00 -0.58 -2.73 119.26 121.50 1wws h ALA 88 Ca 0.35 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wws h ALA 88 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wws h ALA 88 CO -0.11 0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1wws h LEU 89 N 0.80 0.00 -0.59 0.00 3.38 -0.32 -2.77 115.31 115.82 1wws h LEU 89 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wws h LEU 89 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1wws h LEU 89 CO 0.09 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1wws n ALA 90 N -2.11 1.65 0.45 1.53 0.00 -0.06 -1.87 120.51 120.11 1wws n ALA 90 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1wws n ALA 90 Cb 0.32 -1.36 0.47 0.00 0.00 0.00 0.00 19.45 18.88 1wws n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wws n ALA 91 N -1.73 1.81 -2.51 0.00 0.00 -1.04 -4.73 120.51 112.31 1wws n ALA 91 Ca 0.02 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 1wws n ALA 91 Cb 0.22 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -4.50 3.72 0.19 0.00 1.43 -0.78 -5.06 118.68 113.67 1wws s LEU 92 Ca 0.06 -0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 52.44 1wws s LEU 92 Cb 0.10 -2.37 -0.12 0.00 0.03 0.00 0.00 46.19 43.83 1wws s LEU 92 CO 0.44 -0.36 1.72 -2.84 0.23 0.00 0.00 176.35 175.55 1wws s PRO 93 N -4.04 4.13 0.47 1.29 0.02 -1.26 -4.95 135.00 130.67 1wws s PRO 93 Ca 0.42 2.59 -0.24 0.00 0.02 0.00 0.00 61.00 63.78 1wws s PRO 93 Cb -0.07 -3.15 -0.07 0.00 0.02 0.00 0.00 34.50 31.23 1wws s PRO 93 CO 0.28 -0.75 1.35 -1.25 -0.33 0.00 0.00 177.00 176.29 1wws s PRO 94 N 1.39 3.60 0.69 5.54 0.04 -1.26 -4.99 135.00 140.01 1wws s PRO 94 Ca 0.75 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.91 1wws s PRO 94 Cb -0.49 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1wws s PRO 94 CO 0.32 -0.82 1.06 -0.51 0.04 0.00 0.00 177.00 177.09 1wws s LEU 95 N -2.93 3.03 0.08 -3.56 1.43 -1.26 -4.99 118.68 110.47 1wws s LEU 95 Ca 0.63 1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 1wws s LEU 95 Cb -0.40 -4.28 -0.16 0.00 0.03 0.00 0.00 46.19 41.39 1wws s LEU 95 CO 0.50 -1.34 1.29 0.44 0.23 0.00 0.00 176.35 177.47 1wws h ASP 96 N -0.65 0.78 -3.40 2.29 3.32 -2.00 -3.45 116.42 113.31 1wws h ASP 96 Ca -0.45 -0.61 -0.54 0.00 0.02 0.00 0.00 57.03 55.45 1wws h ASP 96 Cb 1.22 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1wws h ASP 96 CO 0.60 1.26 -0.12 -0.76 -1.72 0.00 0.00 179.24 178.50 1wws s LEU 97 N -8.58 4.20 0.63 1.55 1.43 -1.26 -5.08 118.68 111.57 1wws s LEU 97 Ca -0.12 0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 53.81 1wws s LEU 97 Cb 0.07 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1wws s LEU 97 CO 0.86 -0.04 1.02 -1.61 0.23 0.00 0.00 176.35 176.81 1wws s GLU 98 N -2.65 3.35 -0.06 1.70 2.02 -1.26 -4.87 118.70 116.93 1wws s GLU 98 Ca 0.45 0.58 -0.03 0.00 0.02 0.00 0.00 54.97 55.99 1wws s GLU 98 Cb -0.12 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1wws s GLU 98 CO 0.21 -0.68 0.09 0.14 0.02 0.00 0.00 175.26 175.04 1wws s VAL 99 N -3.18 4.92 0.78 2.63 -7.23 -1.26 -1.43 120.40 115.62 1wws s VAL 99 Ca 0.55 -0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.41 1wws s VAL 99 Cb -0.11 -3.19 0.07 0.00 0.56 0.00 0.00 36.38 33.71 1wws s VAL 99 CO 0.52 0.48 1.20 0.00 -0.31 0.00 0.00 175.10 176.99 1wws s ALA 100 N -1.09 1.96 0.30 1.32 0.00 0.12 -4.71 121.76 119.65 1wws s ALA 100 Ca 0.19 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1wws s ALA 100 Cb -0.12 -3.47 0.55 0.00 0.00 0.00 0.00 23.12 20.08 1wws s ALA 100 CO 0.09 -2.12 1.88 1.49 0.00 0.00 0.00 175.76 177.10 1wws h GLU 101 N -0.70 0.98 -0.23 0.00 4.57 -1.98 0.83 114.58 118.05 1wws h GLU 101 Ca -0.47 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.58 1wws h GLU 101 Cb 1.29 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1wws h GLU 101 CO 0.48 0.65 -0.18 -0.44 -1.18 0.00 0.00 179.01 178.34 1wws h ASP 102 N 1.01 0.39 -0.02 1.04 3.32 -1.94 -1.23 116.42 118.99 1wws h ASP 102 Ca 0.44 -0.11 -0.22 0.00 0.02 0.00 0.00 57.03 57.16 1wws h ASP 102 Cb 0.33 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.79 1wws h ASP 102 CO -0.19 0.58 -0.82 0.58 -1.72 0.00 0.00 179.24 177.67 1wws h VAL 103 N 0.36 1.30 -0.40 -1.35 2.07 -1.56 -2.09 116.25 114.59 1wws h VAL 103 Ca 0.06 -2.07 0.08 0.00 0.82 0.00 0.00 66.70 65.59 1wws h VAL 103 Cb 0.52 2.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 1wws h VAL 103 CO 0.03 0.65 -0.02 -0.09 0.02 0.00 0.00 177.57 178.16 1wws h ARG 104 N 0.45 0.08 0.00 1.57 2.43 -0.19 -0.87 114.38 117.85 1wws h ARG 104 Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1wws h ARG 104 Cb 1.44 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1wws h ARG 104 CO 0.16 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 178.76 1wws n ASN 105 N -5.22 0.27 0.06 -3.80 3.02 -0.53 -3.09 115.26 105.96 1wws n ASN 105 Ca 0.03 0.53 -0.03 0.00 -0.03 0.00 0.00 54.58 55.07 1wws n ASN 105 Cb 0.21 -0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 38.71 1wws n ASN 105 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wws h LEU 106 N 0.00 0.00 -0.64 3.41 5.85 -0.47 -3.37 115.31 120.09 1wws h LEU 106 Ca 0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1wws h LEU 106 Cb 0.55 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1wws h LEU 106 CO 0.00 0.79 0.04 -0.07 -0.34 0.00 0.00 178.44 178.86 1wws h LEU 107 N 0.00 -0.21 -0.68 2.25 3.38 -1.24 0.20 115.31 119.02 1wws h LEU 107 Ca -0.08 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1wws h LEU 107 Cb 1.68 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1wws h LEU 107 CO 0.09 -0.09 0.42 -0.65 0.09 0.00 0.00 178.44 178.29 1wws h PRO 108 N 0.15 0.79 -0.38 1.13 0.11 -1.78 -0.20 132.00 131.82 1wws h PRO 108 Ca 0.34 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 1wws h PRO 108 Cb 0.55 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1wws h PRO 108 CO -0.52 0.52 -0.06 0.93 -0.21 0.00 0.00 178.00 178.66 1wws h GLU 109 N 0.81 0.64 -0.15 1.05 5.08 -1.38 -0.80 114.58 119.84 1wws h GLU 109 Ca 0.28 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1wws h GLU 109 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1wws h GLU 109 CO -0.12 0.70 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.06 1wws h LEU 110 N 0.59 0.40 -0.02 1.33 3.38 -0.46 0.69 115.31 121.23 1wws h LEU 110 Ca 0.11 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wws h LEU 110 Cb 0.47 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wws h LEU 110 CO 0.02 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.38 1wws h ALA 111 N 1.21 0.03 -0.39 1.53 0.00 -0.43 0.90 119.26 122.10 1wws h ALA 111 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wws h ALA 111 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1wws h ALA 111 CO 0.08 -0.43 0.13 0.78 0.00 0.00 0.00 179.25 179.81 1wws h GLY 112 N -0.04 0.50 0.91 0.00 0.00 -0.80 -1.64 103.07 102.00 1wws h GLY 112 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1wws h GLY 112 CO -0.00 0.02 0.65 0.00 0.00 0.00 0.00 176.54 177.22 1wws h ALA 113 N 1.26 1.31 -0.34 3.60 0.00 -0.50 -0.98 119.26 123.60 1wws h ALA 113 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wws h ALA 113 Cb 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1wws h ALA 113 CO -0.19 0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 179.44 1wws h LEU 114 N 1.29 0.58 -0.19 0.00 3.38 -0.25 -0.36 115.31 119.75 1wws h LEU 114 Ca 0.39 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1wws h LEU 114 Cb -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1wws h LEU 114 CO -0.11 0.74 -0.10 0.58 0.09 0.00 0.00 178.44 179.64 1wws h VAL 115 N 0.54 1.31 -0.38 1.22 2.07 -0.58 -0.64 116.25 119.79 1wws h VAL 115 Ca 0.10 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1wws h VAL 115 Cb 0.54 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1wws h VAL 115 CO 0.03 0.35 0.08 0.58 0.02 0.00 0.00 177.57 178.64 1wws h VAL 116 N 0.10 0.81 -0.35 2.57 2.07 -0.88 0.13 116.25 120.70 1wws h VAL 116 Ca 0.04 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1wws h VAL 116 Cb 0.59 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1wws h VAL 116 CO 0.03 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.70 1wws h ALA 117 N 1.28 0.46 -0.33 1.67 0.00 -1.03 -2.04 119.26 119.27 1wws h ALA 117 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wws h ALA 117 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wws h ALA 117 CO -0.23 0.18 0.22 -0.92 0.00 0.00 0.00 179.25 178.49 1wws h TYR 118 N 0.41 0.41 -0.67 0.00 5.03 -0.64 -1.13 116.97 120.38 1wws h TYR 118 Ca 0.10 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1wws h TYR 118 Cb 0.38 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 1wws h TYR 118 CO 0.03 0.26 0.35 0.00 -1.32 0.00 0.00 178.16 177.47 1wws h ALA 119 N 1.13 0.86 0.00 1.82 0.00 -0.71 -2.19 119.26 120.16 1wws h ALA 119 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wws h ALA 119 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1wws h ALA 119 CO -0.03 0.39 -0.24 0.00 0.00 0.00 0.00 179.25 179.37 1wws h ARG 120 N 0.92 0.00 -0.28 0.00 3.08 -1.08 -2.24 114.38 114.78 1wws h ARG 120 Ca 0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 1wws h ARG 120 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1wws h ARG 120 CO -0.03 0.24 -0.14 0.28 -1.07 0.00 0.00 179.97 179.24 1wws h VAL 121 N 0.00 1.30 -0.56 2.04 2.07 -0.61 -2.52 116.25 117.96 1wws h VAL 121 Ca -0.00 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.35 1wws h VAL 121 Cb 0.63 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1wws h VAL 121 CO 0.03 0.39 0.25 -0.07 0.02 0.00 0.00 177.57 178.19 1wws h LEU 122 N 0.33 0.31 -1.45 2.57 3.38 -0.93 -1.55 115.31 117.98 1wws h LEU 122 Ca 0.06 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1wws h LEU 122 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1wws h LEU 122 CO 0.04 0.20 0.48 0.50 0.09 0.00 0.00 178.44 179.76 1wws h LYS 123 N 0.47 0.60 -0.01 1.13 3.64 -1.17 -2.24 116.57 118.98 1wws h LYS 123 Ca 0.27 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1wws h LYS 123 Cb 0.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1wws h LYS 123 CO -0.23 0.40 -0.90 0.93 -2.27 0.00 0.00 179.45 177.38 1wws h GLU 124 N 0.62 0.40 -0.81 1.90 4.39 -0.87 -2.08 114.58 118.13 1wws h GLU 124 Ca 0.34 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1wws h GLU 124 Cb 0.48 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1wws h GLU 124 CO -0.12 1.07 0.37 -0.07 -1.16 0.00 0.00 179.01 179.10 1wws h LEU 125 N 0.23 1.07 -6.27 1.33 3.38 -0.85 -3.37 115.31 110.83 1wws h LEU 125 Ca -0.07 -0.14 -0.47 0.00 0.09 0.00 0.00 57.88 57.30 1wws h LEU 125 Cb 1.52 -0.28 -0.34 0.00 0.09 0.00 0.00 40.66 41.66 1wws h LEU 125 CO 0.15 0.92 -0.80 -0.62 0.09 0.00 0.00 178.44 178.18 1wws s ASP 126 N -6.34 1.37 0.35 -0.43 -1.08 -1.04 -5.03 116.67 104.46 1wws s ASP 126 Ca -0.12 -2.23 0.12 0.00 -0.52 0.00 0.00 52.55 49.80 1wws s ASP 126 Cb 0.16 0.16 0.93 0.00 -1.46 0.00 0.00 42.92 42.71 1wws s ASP 126 CO 0.83 -0.22 1.76 -0.65 0.52 0.00 0.00 175.17 177.41 1wws h PRO 127 N 6.36 0.54 -0.20 4.34 0.11 -1.55 -1.35 132.00 140.25 1wws h PRO 127 Ca 0.13 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.02 1wws h PRO 127 Cb 0.99 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1wws h PRO 127 CO 0.25 0.36 -0.61 0.00 -0.21 0.00 0.00 178.00 177.78 1wws h ALA 128 N 1.67 0.54 -1.61 -0.75 0.00 -1.96 -3.46 119.26 113.69 1wws h ALA 128 Ca 0.60 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 54.34 1wws h ALA 128 Cb 1.23 -0.07 0.12 0.00 0.00 0.00 0.00 17.79 19.08 1wws h ALA 128 CO -0.38 0.69 -0.27 -0.11 0.00 0.00 0.00 179.25 179.19 1wws n LEU 129 N -3.96 0.11 0.00 0.00 -0.00 -0.51 -4.89 117.00 107.75 1wws n LEU 129 Ca -0.04 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 1wws n LEU 129 Cb 0.65 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 1wws n LEU 129 CO 0.49 -2.40 -0.13 1.17 -0.00 0.00 0.00 177.39 176.52 1wws n LYS 130 N 0.82 4.13 -3.81 1.96 4.81 -1.26 -4.95 118.16 119.86 1wws n LYS 130 Ca 0.13 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.28 1wws n LYS 130 Cb 0.31 -0.61 -0.13 0.00 0.02 0.00 0.00 35.03 34.62 1wws n LYS 130 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1wws s ASN 131 N -0.55 3.99 0.55 3.14 0.01 -1.26 0.01 114.94 120.82 1wws s ASN 131 Ca 0.00 -3.15 -0.22 0.00 -0.71 0.00 0.00 52.86 48.79 1wws s ASN 131 Cb 0.00 -1.34 -0.05 0.00 0.41 0.00 0.00 41.25 40.28 1wws s ASN 131 CO 0.00 -0.19 1.37 -2.16 -1.51 0.00 0.00 177.10 174.61 1wws s PRO 132 N -0.40 3.10 0.42 -0.60 0.04 -1.25 -5.00 135.00 131.30 1wws s PRO 132 Ca 0.21 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1wws s PRO 132 Cb -0.16 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1wws s PRO 132 CO -0.07 -1.23 0.12 -1.14 0.04 0.00 0.00 177.00 174.72 1wws s GLN 133 N -2.93 1.95 0.32 4.56 2.00 -1.26 -4.53 119.66 119.78 1wws s GLN 133 Ca 0.72 -2.19 0.11 0.00 -2.00 0.00 0.00 55.36 52.00 1wws s GLN 133 Cb -0.41 -0.65 0.96 0.00 0.80 0.00 0.00 33.01 33.70 1wws s GLN 133 CO 0.49 -0.48 1.69 1.15 -0.50 0.00 0.00 175.29 177.64 1wws h THR 134 N 1.76 0.40 -0.72 -0.34 2.02 -2.00 0.12 112.91 114.16 1wws h THR 134 Ca -0.36 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1wws h THR 134 Cb 1.28 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1wws h THR 134 CO 0.57 0.08 0.45 -0.08 0.37 0.00 0.00 175.52 176.91 1wws h GLU 135 N 0.42 0.96 0.05 6.66 4.81 -2.00 -2.58 114.58 122.89 1wws h GLU 135 Ca 0.67 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.83 1wws h GLU 135 Cb 1.41 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wws h GLU 135 CO -0.56 0.66 -0.02 0.45 -0.73 0.00 0.00 179.01 178.81 1wws h HIS 136 N 0.97 -0.06 -0.98 0.92 3.86 -1.18 -3.09 115.15 115.59 1wws h HIS 136 Ca 0.26 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.61 1wws h HIS 136 Cb -0.07 0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.33 1wws h HIS 136 CO -0.02 0.23 0.60 0.45 0.86 0.00 0.00 177.93 180.06 1wws h HIS 137 N -0.35 1.08 -0.96 2.45 3.86 -1.34 -0.58 115.15 119.31 1wws h HIS 137 Ca -0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1wws h HIS 137 Cb 0.32 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 1wws h HIS 137 CO 0.02 0.36 0.63 0.93 0.86 0.00 0.00 177.93 180.73 1wws h GLU 138 N 0.89 1.19 -0.14 2.45 5.08 -1.40 0.97 114.58 123.63 1wws h GLU 138 Ca 0.51 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.68 1wws h GLU 138 Cb 0.61 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wws h GLU 138 CO -0.31 0.79 -0.37 0.00 -1.00 0.00 0.00 179.01 178.13 1wws h ARG 139 N 1.23 0.49 -0.97 2.33 3.08 -1.13 -2.47 114.38 116.94 1wws h ARG 139 Ca 0.38 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1wws h ARG 139 Cb -0.03 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1wws h ARG 139 CO -0.11 0.96 0.63 0.00 -1.07 0.00 0.00 179.97 180.37 1wws h ALA 140 N 0.53 1.34 -0.47 0.04 0.00 -0.80 -1.19 119.26 118.71 1wws h ALA 140 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wws h ALA 140 Cb 0.98 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1wws h ALA 140 CO 0.08 0.43 0.27 0.93 0.00 0.00 0.00 179.25 180.97 1wws h GLU 141 N 1.16 0.64 -0.22 0.00 5.08 -0.73 -0.82 114.58 119.68 1wws h GLU 141 Ca 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1wws h GLU 141 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1wws h GLU 141 CO -0.16 0.48 0.09 0.00 -1.00 0.00 0.00 179.01 178.42 1wws h ARG 142 N 0.62 0.30 0.17 2.33 3.08 -0.79 0.69 114.38 120.78 1wws h ARG 142 Ca 0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1wws h ARG 142 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wws h ARG 142 CO -0.03 0.25 -0.08 0.28 -1.07 0.00 0.00 179.97 179.32 1wws h VAL 143 N 0.30 0.91 -0.84 2.04 2.07 -0.50 -3.14 116.25 117.10 1wws h VAL 143 Ca 0.08 -0.99 0.11 0.00 0.82 0.00 0.00 66.70 66.72 1wws h VAL 143 Cb 0.06 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1wws h VAL 143 CO -0.01 0.21 0.47 -0.26 0.02 0.00 0.00 177.57 178.00 1wws h PHE 144 N -0.76 0.84 0.00 1.57 0.05 -0.86 -0.78 116.94 116.99 1wws h PHE 144 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1wws h PHE 144 Cb 0.52 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.22 1wws h PHE 144 CO 0.07 0.31 0.09 -0.91 -0.18 0.00 0.00 178.31 177.69 1wws h ASN 145 N 0.75 0.00 1.62 2.17 -0.26 -0.87 0.23 115.58 119.23 1wws h ASN 145 Ca 0.42 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.08 1wws h ASN 145 Cb 0.45 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1wws h ASN 145 CO -0.28 0.00 -0.37 -0.07 -1.06 0.00 0.00 177.43 175.64 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.08 -3.39 115.31 115.83 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wws h LEU 146 CO 0.00 0.37 -0.87 0.18 0.09 0.00 0.00 178.44 178.21 1wws n LEU 147 N -3.19 0.00 0.00 1.67 4.77 -0.46 -5.15 117.00 114.63 1wws n LEU 147 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wws n LEU 147 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1wws n LEU 147 CO 0.39 0.00 0.24 0.18 -1.33 0.00 0.00 177.39 176.87