#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 3.41 0.25 3.23 1.02 -1.26 -3.88 119.74 122.51 1wws s LYS 4 Ca 0.00 1.18 -0.05 0.00 0.02 0.00 0.00 55.97 57.12 1wws s LYS 4 Cb 0.00 -2.05 0.31 0.00 -0.52 0.00 0.00 37.83 35.58 1wws s LYS 4 CO 0.00 -0.74 1.89 0.28 -0.92 0.00 0.00 175.35 175.86 1wws h VAL 5 N 0.54 1.14 -0.55 3.17 2.07 -2.03 -1.43 116.25 119.16 1wws h VAL 5 Ca -0.47 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1wws h VAL 5 Cb 1.22 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1wws h VAL 5 CO 0.58 0.21 0.23 0.00 0.02 0.00 0.00 177.57 178.61 1wws h ALA 6 N 1.39 1.38 -0.11 1.67 0.00 -2.02 -0.99 119.26 120.57 1wws h ALA 6 Ca 0.38 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1wws h ALA 6 Cb 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wws h ALA 6 CO -0.13 0.47 -0.80 0.93 0.00 0.00 0.00 179.25 179.72 1wws h GLU 7 N 0.78 0.67 0.05 0.00 5.08 -1.78 -1.03 114.58 118.34 1wws h GLU 7 Ca 0.19 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1wws h GLU 7 Cb 0.13 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wws h GLU 7 CO -0.02 1.18 -0.02 0.74 -1.00 0.00 0.00 179.01 179.89 1wws h PHE 8 N 0.44 -0.06 -0.73 4.33 0.04 -0.99 -0.72 116.94 119.26 1wws h PHE 8 Ca -0.06 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.77 1wws h PHE 8 Cb 1.42 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.53 1wws h PHE 8 CO 0.08 -0.02 0.42 0.93 -0.60 0.00 0.00 178.31 179.12 1wws h GLU 9 N -0.08 0.75 -0.38 1.51 5.08 -1.16 -1.34 114.58 118.96 1wws h GLU 9 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1wws h GLU 9 Cb 0.07 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1wws h GLU 9 CO 0.01 0.50 0.15 -0.09 -1.00 0.00 0.00 179.01 178.58 1wws h ARG 10 N 0.77 0.57 -0.53 2.33 2.43 -0.82 -2.12 114.38 117.02 1wws h ARG 10 Ca 0.33 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1wws h ARG 10 Cb 0.19 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1wws h ARG 10 CO -0.18 0.54 0.04 -0.07 -1.51 0.00 0.00 179.97 178.78 1wws h LEU 11 N 0.47 0.83 -1.04 3.80 3.38 -0.77 -0.41 115.31 121.56 1wws h LEU 11 Ca 0.13 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1wws h LEU 11 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wws h LEU 11 CO -0.01 0.87 -0.12 -0.26 0.09 0.00 0.00 178.44 179.01 1wws h PHE 12 N 0.81 0.59 0.03 1.13 0.04 -1.08 0.33 116.94 118.79 1wws h PHE 12 Ca 0.16 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1wws h PHE 12 Cb 0.43 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1wws h PHE 12 CO 0.02 0.65 -0.01 0.00 -0.60 0.00 0.00 178.31 178.37 1wws h ARG 13 N 0.51 -0.04 -0.25 1.51 3.08 -1.04 -1.39 114.38 116.76 1wws h ARG 13 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1wws h ARG 13 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wws h ARG 13 CO 0.03 0.63 -0.08 1.96 -1.07 0.00 0.00 179.97 181.44 1wws h GLN 14 N -0.77 0.41 0.16 0.04 4.20 -1.06 0.25 115.11 118.34 1wws h GLN 14 Ca -0.00 -0.10 -0.24 0.00 0.06 0.00 0.00 58.65 58.37 1wws h GLN 14 Cb 0.68 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.43 1wws h GLN 14 CO 0.01 0.50 -1.13 0.00 -0.67 0.00 0.00 178.83 177.54 1wws h ALA 15 N 1.53 -0.02 0.00 3.87 0.00 -1.02 -3.42 119.26 120.19 1wws h ALA 15 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1wws h ALA 15 Cb 0.39 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wws h ALA 15 CO 0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1wws n ALA 16 N -2.77 0.77 -3.25 0.00 0.00 -0.84 -4.74 120.51 109.68 1wws n ALA 16 Ca -0.18 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.69 1wws n ALA 16 Cb 0.90 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.03 -0.40 3.69 0.00 0.00 0.87 -4.95 105.19 104.38 1wws n GLY 17 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.40 3.46 0.03 0.99 1.43 -0.60 -4.87 118.68 112.72 1wws s LEU 18 Ca 0.42 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1wws s LEU 18 Cb -0.18 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1wws s LEU 18 CO 0.52 0.14 0.07 -1.81 0.23 0.00 0.00 176.35 175.49 1wws s ASP 19 N -2.60 5.53 0.00 2.29 -0.00 0.96 -3.34 116.67 119.51 1wws s ASP 19 Ca 0.27 0.05 0.01 0.00 -0.00 0.00 0.00 52.55 52.88 1wws s ASP 19 Cb -0.11 -1.52 -0.01 0.00 -0.00 0.00 0.00 42.92 41.29 1wws s ASP 19 CO 0.19 0.23 -0.03 0.68 -0.00 0.00 0.00 175.17 176.24 1wws s VAL 20 N -1.26 0.20 0.43 -1.27 -7.23 -1.26 -4.07 120.40 105.93 1wws s VAL 20 Ca 0.25 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.20 1wws s VAL 20 Cb -0.12 -0.20 0.04 0.00 0.56 0.00 0.00 36.38 36.65 1wws s VAL 20 CO 0.17 -0.04 0.31 -0.90 -0.31 0.00 0.00 175.10 174.33 1wws n ASP 21 N 2.75 2.41 -0.14 4.85 5.75 -1.26 -4.97 116.55 125.94 1wws n ASP 21 Ca -0.14 -2.49 -0.06 0.00 -0.01 0.00 0.00 54.79 52.09 1wws n ASP 21 Cb 0.58 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.69 1wws n ASP 21 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1wws h LYS 22 N 0.00 0.41 -0.80 0.11 1.57 -2.02 -1.90 116.57 113.94 1wws h LYS 22 Ca -0.28 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1wws h LYS 22 Cb 1.00 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1wws h LYS 22 CO 0.43 0.27 0.52 -0.91 -0.57 0.00 0.00 179.45 179.19 1wws h ASN 23 N 0.42 0.63 0.40 0.86 -0.26 -2.02 -2.76 115.58 112.86 1wws h ASN 23 Ca 0.19 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.93 1wws h ASN 23 Cb 0.10 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1wws h ASN 23 CO -0.14 0.37 -0.19 0.44 -1.06 0.00 0.00 177.43 176.84 1wws h ASP 24 N 0.69 -0.45 -0.73 5.81 3.45 -1.75 -3.29 116.42 120.15 1wws h ASP 24 Ca 0.37 -0.12 0.08 0.00 0.43 0.00 0.00 57.03 57.79 1wws h ASP 24 Cb 0.51 0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.33 1wws h ASP 24 CO -0.14 -0.06 0.39 -0.07 -1.57 0.00 0.00 179.24 177.79 1wws h LEU 25 N -0.94 0.54 -0.68 1.55 3.38 -1.12 0.11 115.31 118.15 1wws h LEU 25 Ca -0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wws h LEU 25 Cb 0.55 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1wws h LEU 25 CO 0.09 0.32 0.32 0.50 0.09 0.00 0.00 178.44 179.76 1wws h LYS 26 N 0.67 0.99 -0.16 1.13 1.63 -1.64 0.40 116.57 119.60 1wws h LYS 26 Ca 0.35 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1wws h LYS 26 Cb 0.32 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1wws h LYS 26 CO -0.24 0.79 -0.18 -0.09 -3.45 0.00 0.00 179.45 176.28 1wws h ARG 27 N 0.96 0.40 -0.19 1.90 2.43 -1.52 -2.58 114.38 115.77 1wws h ARG 27 Ca 0.23 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1wws h ARG 27 Cb 0.13 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1wws h ARG 27 CO -0.03 0.78 0.09 0.28 -1.51 0.00 0.00 179.97 179.58 1wws h VAL 28 N 0.03 1.14 -0.28 0.20 2.07 -0.64 -1.78 116.25 116.99 1wws h VAL 28 Ca 0.02 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1wws h VAL 28 Cb 0.72 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1wws h VAL 28 CO 0.04 0.14 0.14 -1.28 0.02 0.00 0.00 177.57 176.63 1wws h SER 29 N 0.17 0.20 -0.76 0.57 0.87 -0.24 -0.74 113.55 113.62 1wws h SER 29 Ca 0.06 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1wws h SER 29 Cb 0.14 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1wws h SER 29 CO -0.01 0.15 0.26 0.44 -0.53 0.00 0.00 176.83 177.14 1wws h ASP 30 N 0.29 1.09 -0.13 6.23 3.32 -1.40 0.26 116.42 126.08 1wws h ASP 30 Ca 0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1wws h ASP 30 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1wws h ASP 30 CO -0.08 1.00 0.06 0.15 -1.72 0.00 0.00 179.24 178.65 1wws h PHE 31 N 1.12 0.19 -0.03 4.55 3.57 -0.98 -0.71 116.94 124.65 1wws h PHE 31 Ca 0.25 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 1wws h PHE 31 Cb 0.28 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1wws h PHE 31 CO 0.02 0.24 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.69 1wws h LEU 32 N 0.08 0.11 -0.30 0.59 3.38 -1.00 -1.82 115.31 116.34 1wws h LEU 32 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wws h LEU 32 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1wws h LEU 32 CO -0.01 0.67 0.16 -0.09 0.09 0.00 0.00 178.44 179.26 1wws h ARG 33 N 0.07 0.42 -0.61 1.13 1.12 -0.26 0.76 114.38 117.02 1wws h ARG 33 Ca -0.00 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 1wws h ARG 33 Cb 1.05 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.90 1wws h ARG 33 CO 0.08 0.37 0.25 -0.91 -3.11 0.00 0.00 179.97 176.65 1wws h ASN 34 N 0.36 0.80 -0.54 -3.80 2.35 -0.91 0.19 115.58 114.03 1wws h ASN 34 Ca 0.10 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1wws h ASN 34 Cb 0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1wws h ASN 34 CO -0.02 0.71 0.03 0.11 -1.65 0.00 0.00 177.43 176.62 1wws h LYS 35 N 0.87 0.93 -0.53 0.81 1.79 -0.80 -0.17 116.57 119.47 1wws h LYS 35 Ca 0.21 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 1wws h LYS 35 Cb 0.16 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1wws h LYS 35 CO -0.02 0.93 -0.11 1.25 -1.08 0.00 0.00 179.45 180.42 1wws h LEU 36 N 0.81 1.02 -0.68 2.94 5.85 -0.33 -1.94 115.31 122.99 1wws h LEU 36 Ca 0.16 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1wws h LEU 36 Cb 0.49 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1wws h LEU 36 CO 0.02 1.14 0.45 0.22 -0.34 0.00 0.00 178.44 179.93 1wws h TYR 37 N 0.89 0.84 -0.59 1.25 3.20 -0.41 -2.06 116.97 120.09 1wws h TYR 37 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1wws h TYR 37 Cb 0.68 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1wws h TYR 37 CO 0.05 0.52 0.26 -0.44 -1.64 0.00 0.00 178.16 176.91 1wws h ASP 38 N 0.91 0.76 -0.56 -2.11 3.32 -0.66 0.22 116.42 118.30 1wws h ASP 38 Ca 0.25 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1wws h ASP 38 Cb -0.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1wws h ASP 38 CO -0.06 0.67 0.33 -0.07 -1.72 0.00 0.00 179.24 178.39 1wws h LEU 39 N 0.84 0.68 -0.79 1.55 3.38 -0.77 -1.49 115.31 118.71 1wws h LEU 39 Ca 0.20 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1wws h LEU 39 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1wws h LEU 39 CO -0.02 0.55 -0.12 -0.07 0.09 0.00 0.00 178.44 178.86 1wws h LEU 40 N 0.75 0.78 -0.76 1.67 3.38 -0.69 0.33 115.31 120.78 1wws h LEU 40 Ca 0.20 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1wws h LEU 40 Cb -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1wws h LEU 40 CO -0.04 0.92 0.24 0.00 0.09 0.00 0.00 178.44 179.65 1wws h ALA 41 N 1.15 0.99 -0.16 1.53 0.00 -0.23 0.83 119.26 123.37 1wws h ALA 41 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1wws h ALA 41 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wws h ALA 41 CO 0.04 0.67 -0.59 0.28 0.00 0.00 0.00 179.25 179.65 1wws h VAL 42 N 1.12 1.33 -0.90 0.00 2.07 -1.06 -2.85 116.25 115.96 1wws h VAL 42 Ca 0.24 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1wws h VAL 42 Cb 0.30 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1wws h VAL 42 CO -0.01 0.58 0.51 0.00 0.02 0.00 0.00 177.57 178.67 1wws h ALA 43 N 0.95 1.15 -0.61 1.67 0.00 -0.18 -0.56 119.26 121.68 1wws h ALA 43 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wws h ALA 43 Cb 1.14 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1wws h ALA 43 CO 0.11 0.64 0.36 1.49 0.00 0.00 0.00 179.25 181.85 1wws h GLU 44 N 1.25 0.83 -0.89 0.00 4.81 -0.72 0.20 114.58 120.05 1wws h GLU 44 Ca 0.32 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1wws h GLU 44 Cb -0.00 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1wws h GLU 44 CO -0.05 0.60 0.53 -0.09 -0.73 0.00 0.00 179.01 179.26 1wws h ARG 45 N 0.82 1.22 -0.26 1.92 2.43 -1.16 -1.45 114.38 117.89 1wws h ARG 45 Ca 0.22 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1wws h ARG 45 Cb -0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1wws h ARG 45 CO -0.04 0.86 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.95 1wws h ASN 46 N 1.23 0.69 -0.10 -3.80 2.35 -0.28 -0.44 115.58 115.24 1wws h ASN 46 Ca 0.32 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wws h ASN 46 Cb -0.03 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1wws h ASN 46 CO -0.06 1.03 0.05 0.00 -1.65 0.00 0.00 177.43 176.80 1wws h ALA 47 N 1.00 0.13 -0.64 -0.83 0.00 -0.19 -1.96 119.26 116.76 1wws h ALA 47 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wws h ALA 47 Cb 0.95 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1wws h ALA 47 CO 0.09 -0.33 0.29 0.87 0.00 0.00 0.00 179.25 180.17 1wws h LYS 48 N 0.06 0.91 -0.41 0.00 1.57 -1.16 -1.31 116.57 116.23 1wws h LYS 48 Ca 0.03 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1wws h LYS 48 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1wws h LYS 48 CO -0.01 0.72 0.26 -0.92 -0.57 0.00 0.00 179.45 178.93 1wws h TYR 49 N 0.91 0.53 -0.44 -1.35 5.03 -0.72 -1.87 116.97 119.06 1wws h TYR 49 Ca 0.22 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1wws h TYR 49 Cb 0.12 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.22 1wws h TYR 49 CO 0.01 0.35 0.00 0.09 -1.32 0.00 0.00 178.16 177.29 1wws n ASN 50 N -4.46 4.00 -1.72 -2.11 3.02 -0.72 -4.93 115.26 108.34 1wws n ASN 50 Ca 0.03 -2.50 -0.15 0.00 -0.03 0.00 0.00 54.58 51.93 1wws n ASN 50 Cb 0.07 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.67 -0.19 3.59 7.41 0.00 -0.70 -5.02 105.19 110.95 1wws n GLY 51 Ca 0.19 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.71 2.16 -0.25 1.61 0.52 -0.57 -5.01 118.95 112.70 1wws s ARG 52 Ca 0.00 -1.07 0.12 0.00 -0.52 0.00 0.00 55.73 54.26 1wws s ARG 52 Cb 0.00 -2.30 0.52 0.00 0.52 0.00 0.00 34.95 33.69 1wws s ARG 52 CO 0.00 0.49 1.46 -0.40 0.02 0.00 0.00 175.30 176.87 1wws n ASP 53 N 0.50 3.01 -3.77 0.23 5.75 -1.26 -3.88 116.55 117.13 1wws n ASP 53 Ca -0.12 -3.49 -0.13 0.00 -0.01 0.00 0.00 54.79 51.04 1wws n ASP 53 Cb 0.53 -0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 39.89 1wws n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1wws s LEU 54 N -3.09 0.92 -0.18 -2.12 2.96 -1.26 -4.28 118.68 111.63 1wws s LEU 54 Ca 0.44 0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 54.58 1wws s LEU 54 Cb 0.38 0.69 -0.03 0.00 0.50 0.00 0.00 46.19 47.74 1wws s LEU 54 CO 0.03 -0.11 0.63 -0.63 -1.32 0.00 0.00 176.35 174.96 1wws s ILE 55 N 0.54 5.03 0.44 6.68 1.01 -0.61 -4.87 121.20 129.42 1wws s ILE 55 Ca -0.04 1.21 0.07 0.00 0.00 0.00 0.00 60.65 61.90 1wws s ILE 55 Cb -0.05 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1wws s ILE 55 CO -0.03 0.14 0.31 -0.36 0.00 0.00 0.00 174.94 174.99 1wws s PHE 56 N 1.72 2.46 0.21 3.97 0.08 -1.26 0.04 117.98 125.20 1wws s PHE 56 Ca 0.30 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 1wws s PHE 56 Cb -0.16 -2.04 0.29 0.00 -0.57 0.00 0.00 43.02 40.54 1wws s PHE 56 CO 0.11 -0.07 1.76 1.49 -0.10 0.00 0.00 175.22 178.41 1wws h GLU 57 N 1.12 0.47 -0.04 0.44 4.81 -1.95 -2.12 114.58 117.32 1wws h GLU 57 Ca -0.41 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1wws h GLU 57 Cb 1.27 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wws h GLU 57 CO 0.62 0.31 0.08 -1.35 -0.73 0.00 0.00 179.01 177.94 1wws h PRO 58 N 0.48 0.00 0.00 0.92 0.11 -2.02 -1.90 132.00 129.60 1wws h PRO 58 Ca 0.32 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 1wws h PRO 58 Cb 0.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1wws h PRO 58 CO -0.29 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 176.73 1wws h ASP 59 N 0.00 0.00 -2.97 -2.05 3.32 -1.71 -3.43 116.42 109.58 1wws h ASP 59 Ca 0.02 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.54 1wws h ASP 59 Cb 0.17 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.75 1wws h ASP 59 CO -0.00 0.33 0.76 -0.76 -1.72 0.00 0.00 179.24 177.86 1wws s LEU 60 N -8.10 4.37 -1.44 1.55 1.43 -0.72 -3.86 118.68 111.92 1wws s LEU 60 Ca -0.03 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.34 1wws s LEU 60 Cb 0.14 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1wws s LEU 60 CO 0.71 -0.70 2.20 -0.81 0.23 0.00 0.00 176.35 177.99 1wws n PRO 61 N 3.89 2.83 -3.30 1.29 -0.04 -1.26 -4.90 135.00 133.51 1wws n PRO 61 Ca 0.12 -2.61 -0.45 0.00 -0.04 0.00 0.00 63.50 60.52 1wws n PRO 61 Cb 0.41 -3.29 -0.07 0.00 -0.04 0.00 0.00 33.50 30.52 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 3.30 5.12 0.68 0.52 1.01 -1.26 -5.07 121.20 125.50 1wws s ILE 62 Ca 0.48 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1wws s ILE 62 Cb 0.14 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1wws s ILE 62 CO -0.08 -0.72 1.08 0.00 0.00 0.00 0.00 174.94 175.22 1wws s ALA 63 N 1.93 2.52 0.31 9.38 0.00 -1.26 -4.77 121.76 129.87 1wws s ALA 63 Ca 0.07 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1wws s ALA 63 Cb -0.24 -3.26 0.84 0.00 0.00 0.00 0.00 23.12 20.46 1wws s ALA 63 CO 0.07 -1.30 1.72 -0.22 0.00 0.00 0.00 175.76 176.04 1wws h LYS 64 N -0.36 0.52 -0.77 0.00 3.64 -1.99 -0.59 116.57 117.02 1wws h LYS 64 Ca -0.45 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1wws h LYS 64 Cb 1.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1wws h LYS 64 CO 0.55 0.34 0.30 0.78 -2.27 0.00 0.00 179.45 179.15 1wws h GLY 65 N 0.53 1.24 1.61 5.01 0.00 -1.99 -0.13 103.07 109.34 1wws h GLY 65 Ca 0.62 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1wws h GLY 65 CO -0.49 0.64 -0.43 -2.00 0.00 0.00 0.00 176.54 174.26 1wws h LEU 66 N 1.12 0.45 -0.62 3.11 5.85 -1.51 -1.92 115.31 121.80 1wws h LEU 66 Ca 0.26 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1wws h LEU 66 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1wws h LEU 66 CO -0.02 0.83 0.16 -0.61 -0.34 0.00 0.00 178.44 178.46 1wws h GLN 67 N 0.35 0.98 -0.64 1.25 5.75 -0.74 -0.28 115.11 121.78 1wws h GLN 67 Ca 0.03 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.26 1wws h GLN 67 Cb 0.91 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.30 1wws h GLN 67 CO 0.08 0.89 0.24 1.49 -2.65 0.00 0.00 178.83 178.88 1wws h GLU 68 N 0.90 0.94 -0.41 1.69 4.57 -0.79 -0.75 114.58 120.72 1wws h GLU 68 Ca 0.19 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 1wws h GLU 68 Cb 0.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1wws h GLU 68 CO 0.00 0.77 -0.10 1.15 -1.18 0.00 0.00 179.01 179.66 1wws h THR 69 N 0.92 1.25 -0.56 0.32 2.02 -0.63 0.12 112.91 116.34 1wws h THR 69 Ca 0.21 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1wws h THR 69 Cb 0.20 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1wws h THR 69 CO -0.02 0.38 0.26 0.25 0.37 0.00 0.00 175.52 176.76 1wws h LEU 70 N 0.66 0.75 -1.11 2.58 5.85 -0.34 0.21 115.31 123.91 1wws h LEU 70 Ca 0.12 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1wws h LEU 70 Cb 0.55 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1wws h LEU 70 CO 0.03 0.68 -0.12 1.56 -0.34 0.00 0.00 178.44 180.25 1wws h GLN 71 N 0.76 0.49 -0.41 1.25 4.20 -0.65 0.21 115.11 120.96 1wws h GLN 71 Ca 0.19 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1wws h GLN 71 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1wws h GLN 71 CO -0.02 0.61 0.09 1.49 -0.67 0.00 0.00 178.83 180.33 1wws h GLU 72 N 0.45 0.65 -0.20 1.46 4.57 -0.02 -2.57 114.58 118.93 1wws h GLU 72 Ca 0.08 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1wws h GLU 72 Cb 0.48 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1wws h GLU 72 CO 0.03 0.68 0.13 0.35 -1.18 0.00 0.00 179.01 179.01 1wws h PHE 73 N 0.52 0.26 -0.23 0.92 3.57 0.09 -2.29 116.94 119.77 1wws h PHE 73 Ca 0.13 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1wws h PHE 73 Cb 0.32 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1wws h PHE 73 CO 0.02 0.18 0.20 0.00 -2.23 0.00 0.00 178.31 176.48 1wws h ARG 74 N 0.26 0.00 -3.20 1.11 3.08 -0.82 -3.38 114.38 111.43 1wws h ARG 74 Ca 0.07 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.44 1wws h ARG 74 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1wws h ARG 74 CO -0.01 0.00 3.69 0.54 -1.07 0.00 0.00 179.97 183.12 1wws n ARG 75 N -4.11 3.55 -2.53 0.04 1.74 -0.86 -4.74 116.66 109.74 1wws n ARG 75 Ca 0.03 -2.31 -0.04 0.00 -0.77 0.00 0.00 57.85 54.76 1wws n ARG 75 Cb 0.34 -2.90 0.01 0.00 -1.02 0.00 0.00 32.46 28.89 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 4.06 -1.12 -3.73 0.55 2.03 -1.26 -5.11 116.55 111.97 1wws n ASP 77 Ca 0.73 -1.71 -0.29 0.00 0.52 0.00 0.00 54.79 54.04 1wws n ASP 77 Cb 0.26 0.87 -0.13 0.00 -0.72 0.00 0.00 41.12 41.41 1wws n ASP 77 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1wws s THR 78 N 0.05 1.62 -0.09 5.18 2.01 -1.26 -5.09 115.64 118.05 1wws s THR 78 Ca 0.06 -2.85 -0.30 0.00 0.31 0.00 0.00 61.69 58.91 1wws s THR 78 Cb 0.12 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1wws s THR 78 CO -0.03 -0.93 1.18 0.00 -0.69 0.00 0.00 174.62 174.15 1wws s ALA 79 N 0.04 3.53 -0.03 7.40 0.00 -1.26 -5.02 121.76 126.42 1wws s ALA 79 Ca 0.20 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1wws s ALA 79 Cb -0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1wws s ALA 79 CO -0.04 -0.84 0.05 -0.51 0.00 0.00 0.00 175.76 174.43 1wws s LEU 80 N 2.51 3.79 0.46 0.00 1.43 -1.26 -5.10 118.68 120.50 1wws s LEU 80 Ca 0.54 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.57 1wws s LEU 80 Cb -0.23 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 1wws s LEU 80 CO 0.19 0.30 1.02 -1.61 0.23 0.00 0.00 176.35 176.48 1wws s GLU 81 N -1.49 3.96 0.02 1.70 0.41 -1.26 -4.86 118.70 117.18 1wws s GLU 81 Ca 0.20 1.32 -0.19 0.00 -0.41 0.00 0.00 54.97 55.89 1wws s GLU 81 Cb -0.12 -2.18 -0.22 0.00 -1.78 0.00 0.00 34.13 29.84 1wws s GLU 81 CO 0.10 -0.29 1.14 1.25 -0.49 0.00 0.00 175.26 176.97 1wws h LEU 82 N 1.78 0.56 -0.60 1.80 6.46 -1.96 -3.37 115.31 119.98 1wws h LEU 82 Ca -0.49 -0.73 0.10 0.00 -0.12 0.00 0.00 57.88 56.65 1wws h LEU 82 Cb 1.21 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.89 1wws h LEU 82 CO 0.60 1.21 0.17 0.50 -0.62 0.00 0.00 178.44 180.30 1wws h LYS 83 N -0.03 0.31 -0.43 1.25 3.64 -1.97 -1.50 116.57 117.83 1wws h LYS 83 Ca -0.06 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1wws h LYS 83 Cb 1.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1wws h LYS 83 CO 0.12 0.20 0.29 -1.35 -2.27 0.00 0.00 179.45 176.44 1wws h PRO 84 N 0.31 0.41 -0.10 1.90 0.11 -1.86 0.14 132.00 132.92 1wws h PRO 84 Ca 0.31 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 1wws h PRO 84 Cb 0.43 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1wws h PRO 84 CO -0.36 0.27 -0.07 0.28 -0.21 0.00 0.00 178.00 177.91 1wws h VAL 85 N 0.43 1.34 -0.63 3.15 2.07 -1.40 -1.27 116.25 119.93 1wws h VAL 85 Ca 0.18 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1wws h VAL 85 Cb 0.18 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1wws h VAL 85 CO -0.04 0.33 0.22 -0.07 0.02 0.00 0.00 177.57 178.02 1wws h LEU 86 N -0.16 0.87 -0.46 2.57 3.38 -0.85 -0.02 115.31 120.65 1wws h LEU 86 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1wws h LEU 86 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1wws h LEU 86 CO 0.02 0.80 0.15 0.44 0.09 0.00 0.00 178.44 179.94 1wws h ASP 87 N 0.92 0.66 -0.40 -0.43 3.32 -0.69 -0.67 116.42 119.12 1wws h ASP 87 Ca 0.21 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wws h ASP 87 Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1wws h ASP 87 CO -0.01 0.68 0.25 0.00 -1.72 0.00 0.00 179.24 178.44 1wws h ALA 88 N 1.00 0.51 0.00 3.45 0.00 -0.74 -2.26 119.26 121.23 1wws h ALA 88 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wws h ALA 88 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wws h ALA 88 CO -0.01 0.00 -0.10 -0.07 0.00 0.00 0.00 179.25 179.08 1wws h LEU 89 N 0.53 0.00 -0.80 0.00 3.38 -0.73 -2.63 115.31 115.06 1wws h LEU 89 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wws h LEU 89 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wws h LEU 89 CO -0.03 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1wws n ALA 90 N -2.20 1.59 0.46 1.53 0.00 -0.28 -1.88 120.51 119.73 1wws n ALA 90 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1wws n ALA 90 Cb 0.26 -1.39 0.47 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.78 1.83 -2.52 0.00 0.00 -0.99 -4.75 120.51 112.29 1wws n ALA 91 Ca 0.02 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1wws n ALA 91 Cb 0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 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 -4.49 3.54 0.21 0.00 1.43 -0.79 -5.07 118.68 113.51 1wws s LEU 92 Ca 0.06 -0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.30 1wws s LEU 92 Cb 0.10 -2.12 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 1wws s LEU 92 CO 0.45 -0.32 1.45 -2.65 0.23 0.00 0.00 176.35 175.51 1wws n PRO 93 N -1.31 2.03 -2.34 1.29 -0.02 -1.26 -4.93 135.00 128.45 1wws n PRO 93 Ca -0.02 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 1wws n PRO 93 Cb 0.60 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1wws n PRO 93 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wws s PRO 94 N 0.02 4.08 0.84 0.52 0.04 -1.26 -5.02 135.00 134.22 1wws s PRO 94 Ca 0.72 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 1wws s PRO 94 Cb -0.67 -2.67 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1wws s PRO 94 CO 0.46 -0.28 1.10 -0.51 0.04 0.00 0.00 177.00 177.81 1wws s LEU 95 N -2.49 2.43 0.04 -3.56 1.43 -1.26 -4.97 118.68 110.30 1wws s LEU 95 Ca 0.57 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 1wws s LEU 95 Cb -0.29 -3.88 -0.33 0.00 0.03 0.00 0.00 46.19 41.71 1wws s LEU 95 CO 0.37 -2.26 1.04 0.44 0.23 0.00 0.00 176.35 176.17 1wws h ASP 96 N -1.29 0.71 -3.02 2.29 3.32 -2.00 -3.46 116.42 112.97 1wws h ASP 96 Ca -0.48 -0.76 -0.60 0.00 0.02 0.00 0.00 57.03 55.20 1wws h ASP 96 Cb 1.28 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1wws h ASP 96 CO 0.58 1.60 -0.37 -0.76 -1.72 0.00 0.00 179.24 178.56 1wws s LEU 97 N -7.44 4.33 0.45 1.55 1.43 -1.26 -5.09 118.68 112.64 1wws s LEU 97 Ca -0.07 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 1wws s LEU 97 Cb 0.05 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 1wws s LEU 97 CO 0.93 0.15 0.87 -1.61 0.23 0.00 0.00 176.35 176.92 1wws s GLU 98 N -2.26 3.87 0.14 1.70 0.41 -1.26 -4.86 118.70 116.44 1wws s GLU 98 Ca 0.34 0.71 -0.07 0.00 -0.41 0.00 0.00 54.97 55.54 1wws s GLU 98 Cb -0.13 -2.28 -0.06 0.00 -1.78 0.00 0.00 34.13 29.89 1wws s GLU 98 CO 0.22 -0.13 0.42 0.14 -0.49 0.00 0.00 175.26 175.42 1wws s VAL 99 N -2.46 5.10 0.83 2.63 -7.23 -1.26 -1.57 120.40 116.45 1wws s VAL 99 Ca 0.55 0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.87 1wws s VAL 99 Cb -0.10 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.30 1wws s VAL 99 CO 0.30 0.10 1.10 0.00 -0.31 0.00 0.00 175.10 176.29 1wws s ALA 100 N -1.60 2.00 0.26 1.32 0.00 0.11 -4.78 121.76 119.06 1wws s ALA 100 Ca 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1wws s ALA 100 Cb -0.13 -3.13 0.48 0.00 0.00 0.00 0.00 23.12 20.34 1wws s ALA 100 CO 0.22 -1.95 1.80 0.93 0.00 0.00 0.00 175.76 176.76 1wws h GLU 101 N -1.26 0.78 0.00 0.00 5.08 -1.98 -1.43 114.58 115.77 1wws h GLU 101 Ca -0.48 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1wws h GLU 101 Cb 1.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1wws h GLU 101 CO 0.58 0.51 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.38 1wws h ASP 102 N 0.80 0.00 0.08 1.42 5.19 -1.93 -2.27 116.42 119.71 1wws h ASP 102 Ca 0.44 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.59 1wws h ASP 102 Cb 0.48 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.02 1wws h ASP 102 CO -0.28 0.28 -1.08 0.58 -3.12 0.00 0.00 179.24 175.61 1wws h VAL 103 N 0.00 1.32 -0.15 -1.35 2.07 -1.62 -2.66 116.25 113.87 1wws h VAL 103 Ca -0.00 -2.37 0.04 0.00 0.82 0.00 0.00 66.70 65.19 1wws h VAL 103 Cb 0.60 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 1wws h VAL 103 CO 0.04 0.72 -0.15 0.03 0.02 0.00 0.00 177.57 178.22 1wws h ARG 104 N 0.19 -0.17 0.00 1.57 3.08 -0.95 -0.44 114.38 117.67 1wws h ARG 104 Ca -0.16 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1wws h ARG 104 Cb 1.77 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 1wws h ARG 104 CO 0.21 -0.11 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.91 1wws h ASN 105 N -0.18 0.00 0.45 7.04 2.35 -1.50 -2.82 115.58 120.93 1wws h ASN 105 Ca 0.10 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.65 1wws h ASN 105 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1wws h ASN 105 CO -0.25 0.18 -0.84 0.25 -1.65 0.00 0.00 177.43 175.12 1wws h LEU 106 N 0.00 0.36 -0.71 1.61 5.85 -0.85 -3.37 115.31 118.20 1wws h LEU 106 Ca -0.00 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.56 1wws h LEU 106 Cb 0.45 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.24 1wws h LEU 106 CO 0.02 1.05 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.72 1wws h LEU 107 N 0.17 -1.34 -1.46 2.25 3.38 -0.86 0.43 115.31 117.88 1wws h LEU 107 Ca -0.05 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1wws h LEU 107 Cb 1.45 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 42.83 1wws h LEU 107 CO 0.13 -0.30 0.39 1.55 0.09 0.00 0.00 178.44 180.30 1wws h PRO 108 N -0.13 0.68 -0.44 1.13 0.13 -1.75 -0.17 132.00 131.46 1wws h PRO 108 Ca 0.25 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.22 1wws h PRO 108 Cb 0.56 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1wws h PRO 108 CO -0.77 0.45 -0.18 0.93 -0.23 0.00 0.00 178.00 178.20 1wws h GLU 109 N 0.71 0.86 -0.57 0.86 5.08 -1.19 -1.20 114.58 119.12 1wws h GLU 109 Ca 0.23 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1wws h GLU 109 Cb 0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wws h GLU 109 CO -0.06 0.97 0.13 -0.07 -1.00 0.00 0.00 179.01 178.98 1wws h LEU 110 N 0.75 0.87 -0.70 1.33 3.38 0.16 0.18 115.31 121.28 1wws h LEU 110 Ca 0.11 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1wws h LEU 110 Cb 0.71 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1wws h LEU 110 CO 0.05 0.88 0.42 0.00 0.09 0.00 0.00 178.44 179.89 1wws h ALA 111 N 1.02 0.93 -0.52 1.53 0.00 -0.75 0.10 119.26 121.58 1wws h ALA 111 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1wws h ALA 111 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wws h ALA 111 CO 0.00 0.15 0.02 0.78 0.00 0.00 0.00 179.25 180.21 1wws h GLY 112 N 0.80 0.97 1.06 0.00 0.00 -0.62 -2.05 103.07 103.22 1wws h GLY 112 Ca 0.30 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1wws h GLY 112 CO -0.14 0.64 0.36 0.00 0.00 0.00 0.00 176.54 177.40 1wws h ALA 113 N 0.95 1.09 -0.72 3.60 0.00 -0.02 -0.79 119.26 123.38 1wws h ALA 113 Ca 0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1wws h ALA 113 Cb 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1wws h ALA 113 CO 0.02 0.66 0.23 -0.07 0.00 0.00 0.00 179.25 180.10 1wws h LEU 114 N 1.18 1.04 -0.46 0.00 3.38 -0.59 -0.26 115.31 119.60 1wws h LEU 114 Ca 0.28 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wws h LEU 114 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1wws h LEU 114 CO -0.03 0.97 0.03 0.58 0.09 0.00 0.00 178.44 180.08 1wws h VAL 115 N 1.06 1.26 -0.93 1.22 2.07 -0.97 0.05 116.25 120.00 1wws h VAL 115 Ca 0.23 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1wws h VAL 115 Cb 0.29 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1wws h VAL 115 CO -0.01 0.34 0.58 0.58 0.02 0.00 0.00 177.57 179.08 1wws h VAL 116 N 0.64 1.25 -0.31 2.57 2.07 -0.78 -0.35 116.25 121.33 1wws h VAL 116 Ca 0.13 -0.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 1wws h VAL 116 Cb 0.45 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1wws h VAL 116 CO 0.02 0.26 -0.51 0.00 0.02 0.00 0.00 177.57 177.36 1wws h ALA 117 N 1.32 0.50 -0.38 1.67 0.00 -0.84 -2.58 119.26 118.94 1wws h ALA 117 Ca 0.34 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1wws h ALA 117 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1wws h ALA 117 CO -0.07 0.68 0.16 -0.92 0.00 0.00 0.00 179.25 179.11 1wws h TYR 118 N 0.70 0.57 -0.76 0.00 5.03 -0.56 -1.20 116.97 120.74 1wws h TYR 118 Ca 0.03 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1wws h TYR 118 Cb 1.12 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.19 1wws h TYR 118 CO 0.07 0.50 0.29 0.00 -1.32 0.00 0.00 178.16 177.70 1wws h ALA 119 N 1.01 0.99 -0.09 1.82 0.00 -1.09 -2.11 119.26 119.79 1wws h ALA 119 Ca 0.13 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1wws h ALA 119 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wws h ALA 119 CO -0.01 0.63 -0.43 0.00 0.00 0.00 0.00 179.25 179.44 1wws h ARG 120 N 1.11 0.20 -0.20 0.00 3.08 -1.24 -1.80 114.38 115.53 1wws h ARG 120 Ca 0.25 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1wws h ARG 120 Cb 0.24 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1wws h ARG 120 CO -0.02 0.60 -0.01 0.28 -1.07 0.00 0.00 179.97 179.75 1wws h VAL 121 N 0.16 1.26 -0.82 2.04 2.07 -0.93 -1.96 116.25 118.08 1wws h VAL 121 Ca 0.01 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1wws h VAL 121 Cb 0.83 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 1wws h VAL 121 CO 0.06 0.28 0.46 -0.07 0.02 0.00 0.00 177.57 178.32 1wws h LEU 122 N 0.10 0.64 -1.20 2.57 3.38 -1.14 -0.81 115.31 118.85 1wws h LEU 122 Ca 0.05 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1wws h LEU 122 Cb 0.42 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wws h LEU 122 CO 0.01 0.35 0.02 0.50 0.09 0.00 0.00 178.44 179.41 1wws h LYS 123 N 0.75 0.57 -0.24 1.13 3.64 -1.09 -2.53 116.57 118.80 1wws h LYS 123 Ca 0.41 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1wws h LYS 123 Cb 0.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1wws h LYS 123 CO -0.27 0.58 -0.44 0.93 -2.27 0.00 0.00 179.45 177.98 1wws h GLU 124 N 0.54 0.59 -0.26 1.90 4.39 -0.40 -1.77 114.58 119.57 1wws h GLU 124 Ca 0.12 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1wws h GLU 124 Cb 0.32 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1wws h GLU 124 CO 0.01 0.91 0.18 -0.07 -1.16 0.00 0.00 179.01 178.88 1wws h LEU 125 N 0.47 0.24 -5.95 1.33 3.38 -0.90 -3.39 115.31 110.50 1wws h LEU 125 Ca 0.03 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wws h LEU 125 Cb 0.96 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 1wws h LEU 125 CO 0.09 0.17 -0.37 -0.62 0.09 0.00 0.00 178.44 177.79 1wws s ASP 126 N -6.78 -1.44 0.00 -0.43 2.15 -1.09 -5.02 116.67 104.06 1wws s ASP 126 Ca -0.07 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1wws s ASP 126 Cb 0.18 1.86 0.00 0.00 -0.30 0.00 0.00 42.92 44.66 1wws s ASP 126 CO 0.71 -0.21 0.84 -2.65 -0.17 0.00 0.00 175.17 173.68 1wws n PRO 127 N 4.86 0.00 0.00 4.34 -0.02 -0.68 -0.45 135.00 143.04 1wws n PRO 127 Ca 0.08 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 1wws n PRO 127 Cb 0.56 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.34 3.39 -1.80 3.55 0.00 -1.26 -4.99 120.51 118.07 1wws n ALA 128 Ca 0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 1wws n ALA 128 Cb 0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1wws n ALA 128 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wws s LEU 129 N -2.24 4.37 -0.08 0.00 1.98 0.40 -4.93 118.68 118.18 1wws s LEU 129 Ca 0.14 2.84 0.01 0.00 -2.89 0.00 0.00 54.13 54.24 1wws s LEU 129 Cb 0.14 -3.64 -0.06 0.00 0.66 0.00 0.00 46.19 43.29 1wws s LEU 129 CO 0.48 -0.75 -0.06 0.29 -1.89 0.00 0.00 176.35 174.42 1wws n LYS 130 N 1.38 0.59 -3.68 1.98 5.02 -1.26 -4.88 118.16 117.31 1wws n LYS 130 Ca 0.04 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 1wws n LYS 130 Cb 0.40 -1.16 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 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 -4.63 1.73 0.19 4.39 3.84 -1.26 -0.03 114.94 119.17 1wws s ASN 131 Ca -0.10 -0.23 -0.32 0.00 0.21 0.00 0.00 52.86 52.43 1wws s ASN 131 Cb 0.03 -0.28 -0.12 0.00 -0.55 0.00 0.00 41.25 40.32 1wws s ASN 131 CO 0.19 -0.27 1.72 -2.65 -2.79 0.00 0.00 177.10 173.31 1wws n PRO 132 N 5.23 2.70 -3.02 0.43 -0.02 -1.26 -5.02 135.00 134.04 1wws n PRO 132 Ca -0.06 0.97 -0.17 0.00 -2.02 0.00 0.00 63.50 62.22 1wws n PRO 132 Cb 0.49 -2.82 0.02 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.39 2.76 0.37 -0.52 -0.21 -1.26 -4.93 119.66 117.26 1wws s GLN 133 Ca 0.77 -1.29 0.13 0.00 0.02 0.00 0.00 55.36 54.98 1wws s GLN 133 Cb -0.53 -2.74 0.94 0.00 1.00 0.00 0.00 33.01 31.68 1wws s GLN 133 CO 0.34 -0.34 1.81 1.15 -2.12 0.00 0.00 175.29 176.12 1wws h THR 134 N 0.59 0.66 -0.53 -0.19 2.02 -2.00 0.40 112.91 113.86 1wws h THR 134 Ca -0.39 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.66 1wws h THR 134 Cb 1.28 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1wws h THR 134 CO 0.45 0.10 0.24 -0.33 0.37 0.00 0.00 175.52 176.35 1wws h GLU 135 N 0.56 0.44 -0.44 6.66 5.08 -2.00 -1.45 114.58 123.43 1wws h GLU 135 Ca 0.54 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.75 1wws h GLU 135 Cb 1.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1wws h GLU 135 CO -0.29 0.29 -0.21 0.45 -1.00 0.00 0.00 179.01 178.26 1wws h HIS 136 N 0.46 1.07 -0.68 4.33 3.86 -1.30 -2.80 115.15 120.08 1wws h HIS 136 Ca 0.25 -0.27 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1wws h HIS 136 Cb 0.21 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1wws h HIS 136 CO -0.13 1.07 0.32 0.45 0.86 0.00 0.00 177.93 180.50 1wws h HIS 137 N 0.76 0.99 -0.51 2.45 3.86 -1.08 0.27 115.15 121.90 1wws h HIS 137 Ca 0.10 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1wws h HIS 137 Cb 0.79 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1wws h HIS 137 CO 0.06 0.75 0.25 0.93 0.86 0.00 0.00 177.93 180.77 1wws h GLU 138 N 0.95 0.46 -0.24 2.45 5.08 -1.21 0.16 114.58 122.23 1wws h GLU 138 Ca 0.23 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1wws h GLU 138 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wws h GLU 138 CO -0.03 0.31 -0.44 0.00 -1.00 0.00 0.00 179.01 177.85 1wws h ARG 139 N 0.48 0.73 -0.76 2.33 3.08 -1.19 -2.05 114.38 116.99 1wws h ARG 139 Ca 0.23 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1wws h ARG 139 Cb 0.15 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1wws h ARG 139 CO -0.17 1.08 0.41 0.00 -1.07 0.00 0.00 179.97 180.22 1wws h ALA 140 N 0.64 0.97 -0.47 0.04 0.00 -0.15 -1.50 119.26 118.78 1wws h ALA 140 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 140 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wws h ALA 140 CO 0.10 0.49 0.17 0.93 0.00 0.00 0.00 179.25 180.94 1wws h GLU 141 N 1.05 0.72 -0.82 0.00 5.08 -0.67 -1.63 114.58 118.31 1wws h GLU 141 Ca 0.27 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1wws h GLU 141 Cb 0.04 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1wws h GLU 141 CO -0.04 0.67 0.54 0.00 -1.00 0.00 0.00 179.01 179.18 1wws h ARG 142 N 0.62 1.01 -0.27 2.33 3.08 -0.87 0.22 114.38 120.50 1wws h ARG 142 Ca 0.15 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1wws h ARG 142 Cb 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1wws h ARG 142 CO -0.01 0.67 0.05 0.28 -1.07 0.00 0.00 179.97 179.89 1wws h VAL 143 N 1.04 1.23 -0.48 2.04 2.07 -0.89 -2.82 116.25 118.43 1wws h VAL 143 Ca 0.32 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1wws h VAL 143 Cb -0.00 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1wws h VAL 143 CO -0.09 0.25 0.25 -0.26 0.02 0.00 0.00 177.57 177.73 1wws h PHE 144 N 0.27 0.67 -0.28 1.57 0.04 -0.66 -2.65 116.94 115.90 1wws h PHE 144 Ca 0.08 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.91 1wws h PHE 144 Cb 0.32 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1wws h PHE 144 CO 0.02 0.52 0.27 -0.91 -0.60 0.00 0.00 178.31 177.60 1wws h ASN 145 N 0.63 0.00 0.72 2.17 -0.26 -0.45 0.69 115.58 119.08 1wws h ASN 145 Ca 0.17 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.77 1wws h ASN 145 Cb 0.08 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1wws h ASN 145 CO -0.02 0.00 -0.65 -0.07 -1.06 0.00 0.00 177.43 175.63 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.22 -3.37 115.31 115.71 1wws h LEU 146 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1wws h LEU 146 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wws h LEU 146 CO -0.00 0.65 -1.24 0.18 0.09 0.00 0.00 178.44 178.12 1wws n LEU 147 N -3.69 0.00 0.00 1.67 4.77 -0.16 -5.15 117.00 114.45 1wws n LEU 147 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1wws n LEU 147 Cb 0.66 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1wws n LEU 147 CO 0.42 0.02 0.09 0.18 -1.33 0.00 0.00 177.39 176.78