#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 4.44 0.38 3.23 1.02 -1.26 -3.26 119.74 124.28 1wws s LYS 4 Ca 0.00 1.22 0.14 0.00 0.02 0.00 0.00 55.97 57.35 1wws s LYS 4 Cb 0.00 -2.59 0.97 0.00 -0.52 0.00 0.00 37.83 35.69 1wws s LYS 4 CO 0.00 0.18 1.81 0.28 -0.92 0.00 0.00 175.35 176.70 1wws h VAL 5 N 2.36 0.66 -0.79 3.17 2.07 -2.03 0.20 116.25 121.90 1wws h VAL 5 Ca -0.48 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1wws h VAL 5 Cb 1.19 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1wws h VAL 5 CO 0.64 0.10 0.49 0.00 0.02 0.00 0.00 177.57 178.81 1wws h ALA 6 N 1.62 1.00 -0.26 1.67 0.00 -2.05 0.32 119.26 121.57 1wws h ALA 6 Ca 0.53 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1wws h ALA 6 Cb 1.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wws h ALA 6 CO -0.26 0.45 -0.10 0.93 0.00 0.00 0.00 179.25 180.27 1wws h GLU 7 N 1.07 0.52 -0.18 0.00 5.08 -1.09 -0.53 114.58 119.45 1wws h GLU 7 Ca 0.28 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1wws h GLU 7 Cb -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1wws h GLU 7 CO -0.06 0.76 0.10 0.74 -1.00 0.00 0.00 179.01 179.55 1wws h PHE 8 N 0.26 0.18 0.40 4.33 0.04 -0.98 0.52 116.94 121.69 1wws h PHE 8 Ca 0.06 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1wws h PHE 8 Cb 0.59 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1wws h PHE 8 CO 0.06 0.11 -0.51 1.49 -0.60 0.00 0.00 178.31 178.85 1wws h GLU 9 N 0.20 -0.91 -0.64 1.51 4.57 -0.27 -2.05 114.58 116.99 1wws h GLU 9 Ca 0.07 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1wws h GLU 9 Cb 0.01 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1wws h GLU 9 CO -0.04 -0.61 0.38 -0.09 -1.18 0.00 0.00 179.01 177.47 1wws h ARG 10 N -0.94 0.71 -0.53 1.92 9.65 -0.98 -2.94 114.38 121.26 1wws h ARG 10 Ca -0.05 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1wws h ARG 10 Cb 0.85 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 1wws h ARG 10 CO -0.12 0.47 0.33 -0.07 2.80 0.00 0.00 179.97 183.38 1wws h LEU 11 N 0.74 0.63 -1.85 3.80 3.38 -0.74 -0.16 115.31 121.11 1wws h LEU 11 Ca 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wws h LEU 11 Cb 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wws h LEU 11 CO -0.13 0.49 -0.08 -0.26 0.09 0.00 0.00 178.44 178.55 1wws h PHE 12 N 0.72 0.00 0.01 1.13 0.04 -1.23 0.32 116.94 117.93 1wws h PHE 12 Ca 0.19 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1wws h PHE 12 Cb -0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.12 1wws h PHE 12 CO -0.03 0.08 -0.27 -0.09 -0.60 0.00 0.00 178.31 177.40 1wws h ARG 13 N 0.00 0.16 0.00 1.51 1.12 -1.22 -1.83 114.38 114.13 1wws h ARG 13 Ca -0.00 -0.19 -0.07 0.00 -1.11 0.00 0.00 59.98 58.61 1wws h ARG 13 Cb 0.14 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 1wws h ARG 13 CO 0.01 0.95 -0.35 1.96 -3.11 0.00 0.00 179.97 179.43 1wws h GLN 14 N -0.54 0.00 0.11 0.20 4.20 -0.69 0.56 115.11 118.96 1wws h GLN 14 Ca -0.04 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1wws h GLN 14 Cb 1.05 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.84 1wws h GLN 14 CO 0.05 0.35 -0.92 0.00 -0.67 0.00 0.00 178.83 177.64 1wws h ALA 15 N 1.65 0.01 0.00 3.87 0.00 -0.46 -3.43 119.26 120.90 1wws h ALA 15 Ca -0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 1wws h ALA 15 Cb 0.78 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.54 1wws h ALA 15 CO 0.05 0.48 -0.65 0.00 0.00 0.00 0.00 179.25 179.13 1wws n ALA 16 N -2.78 3.00 -4.27 0.00 0.00 -1.01 -4.73 120.51 110.72 1wws n ALA 16 Ca -0.17 -1.48 -0.35 0.00 0.00 0.00 0.00 53.44 51.44 1wws n ALA 16 Cb 0.80 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 0.24 -0.33 3.85 0.00 0.00 0.19 -4.92 105.19 104.22 1wws n GLY 17 Ca -0.10 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -7.23 3.76 -0.31 0.99 1.43 -0.72 -4.72 118.68 111.87 1wws s LEU 18 Ca 0.49 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1wws s LEU 18 Cb -0.27 -2.34 0.09 0.00 0.03 0.00 0.00 46.19 43.70 1wws s LEU 18 CO 0.96 -0.18 0.04 -0.62 0.23 0.00 0.00 176.35 176.78 1wws s ASP 19 N -3.93 4.43 -0.16 2.29 3.68 0.54 -3.74 116.67 119.79 1wws s ASP 19 Ca 0.37 -1.85 -0.14 0.00 2.13 0.00 0.00 52.55 53.05 1wws s ASP 19 Cb -0.07 -1.36 -0.05 0.00 -1.45 0.00 0.00 42.92 40.00 1wws s ASP 19 CO 0.26 -0.36 0.32 0.54 0.13 0.00 0.00 175.17 176.06 1wws s VAL 20 N 1.17 5.29 0.19 1.11 0.11 -1.26 -4.15 120.40 122.86 1wws s VAL 20 Ca 0.08 0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 59.42 1wws s VAL 20 Cb -0.19 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 30.92 1wws s VAL 20 CO -0.12 0.37 1.37 -1.81 -3.33 0.00 0.00 175.10 171.58 1wws s ASP 21 N 0.53 6.81 0.21 3.54 -0.00 -1.26 -4.84 116.67 121.66 1wws s ASP 21 Ca 0.18 2.46 0.10 0.00 -0.00 0.00 0.00 52.55 55.28 1wws s ASP 21 Cb -0.13 -2.61 0.54 0.00 -0.00 0.00 0.00 42.92 40.72 1wws s ASP 21 CO 0.05 -0.61 1.20 2.29 -0.00 0.00 0.00 175.17 178.10 1wws n LYS 22 N 2.91 0.07 0.07 8.23 2.85 -1.26 0.13 118.16 131.15 1wws n LYS 22 Ca 0.08 0.50 -0.06 0.00 -1.05 0.00 0.00 58.31 57.78 1wws n LYS 22 Cb 0.42 -1.92 -0.10 0.00 -0.65 0.00 0.00 35.03 32.78 1wws n LYS 22 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wws h ASN 23 N 0.00 0.00 1.21 -5.58 2.35 -2.04 -3.26 115.58 108.26 1wws h ASN 23 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1wws h ASN 23 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1wws h ASN 23 CO 0.00 0.93 -0.79 0.44 -1.65 0.00 0.00 177.43 176.35 1wws h ASP 24 N 0.00 0.00 -1.01 5.81 3.32 0.71 -3.36 116.42 121.90 1wws h ASP 24 Ca -0.01 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.12 1wws h ASP 24 Cb 1.72 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.19 1wws h ASP 24 CO 0.12 0.03 0.65 -0.07 -1.72 0.00 0.00 179.24 178.24 1wws h LEU 25 N 0.00 1.01 -0.77 1.55 3.38 -1.47 -1.83 115.31 117.18 1wws h LEU 25 Ca -0.01 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1wws h LEU 25 Cb 1.02 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1wws h LEU 25 CO 0.00 0.62 0.45 0.50 0.09 0.00 0.00 178.44 180.10 1wws h LYS 26 N 1.13 0.79 -0.11 1.13 3.64 -1.73 0.50 116.57 121.92 1wws h LYS 26 Ca 0.45 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 1wws h LYS 26 Cb 0.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1wws h LYS 26 CO -0.20 0.52 -0.77 0.07 -2.27 0.00 0.00 179.45 176.80 1wws h ARG 27 N 0.81 0.59 -0.35 1.90 0.11 -1.66 -2.22 114.38 113.56 1wws h ARG 27 Ca 0.35 -0.49 -0.05 0.00 0.10 0.00 0.00 59.98 59.88 1wws h ARG 27 Cb 0.22 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 1wws h ARG 27 CO -0.19 1.11 0.01 0.28 0.10 0.00 0.00 179.97 181.28 1wws h VAL 28 N 0.40 1.26 0.16 0.08 2.07 -0.73 -0.92 116.25 118.56 1wws h VAL 28 Ca -0.05 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1wws h VAL 28 Cb 1.37 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1wws h VAL 28 CO 0.15 0.32 -0.08 -1.28 0.02 0.00 0.00 177.57 176.70 1wws h SER 29 N 0.42 -0.18 -0.85 0.57 0.87 -0.03 -1.26 113.55 113.09 1wws h SER 29 Ca 0.10 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1wws h SER 29 Cb 0.44 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1wws h SER 29 CO 0.02 -0.13 0.56 0.44 -0.53 0.00 0.00 176.83 177.19 1wws h ASP 30 N -0.21 0.96 -0.08 6.23 3.45 -1.35 0.14 116.42 125.57 1wws h ASP 30 Ca -0.02 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1wws h ASP 30 Cb 0.16 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1wws h ASP 30 CO 0.03 0.69 0.02 0.15 -1.57 0.00 0.00 179.24 178.57 1wws h PHE 31 N 1.14 0.12 -0.11 4.55 3.57 -0.98 -0.40 116.94 124.83 1wws h PHE 31 Ca 0.32 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 1wws h PHE 31 Cb -0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1wws h PHE 31 CO -0.01 0.27 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.78 1wws h LEU 32 N -0.06 0.31 -0.68 0.59 3.38 -1.11 -1.66 115.31 116.08 1wws h LEU 32 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1wws h LEU 32 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1wws h LEU 32 CO -0.00 0.75 0.34 -0.09 0.09 0.00 0.00 178.44 179.53 1wws h ARG 33 N 0.23 0.97 -0.48 1.13 2.43 -0.54 0.75 114.38 118.87 1wws h ARG 33 Ca 0.01 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1wws h ARG 33 Cb 0.95 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1wws h ARG 33 CO 0.08 0.76 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.35 1wws h ASN 34 N 0.94 0.80 -0.37 -3.80 2.35 -0.72 -0.09 115.58 114.69 1wws h ASN 34 Ca 0.24 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1wws h ASN 34 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1wws h ASN 34 CO -0.03 0.88 -0.11 0.11 -1.65 0.00 0.00 177.43 176.62 1wws h LYS 35 N 0.76 0.81 -0.36 0.81 1.79 -0.54 -0.10 116.57 119.74 1wws h LYS 35 Ca 0.14 -0.28 -0.16 0.00 -2.18 0.00 0.00 60.65 58.18 1wws h LYS 35 Cb 0.50 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1wws h LYS 35 CO 0.03 0.89 -0.39 1.25 -1.08 0.00 0.00 179.45 180.15 1wws h LEU 36 N 0.73 0.93 -0.64 2.94 5.85 -0.56 -2.31 115.31 122.25 1wws h LEU 36 Ca 0.12 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1wws h LEU 36 Cb 0.61 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1wws h LEU 36 CO 0.04 1.20 0.28 0.22 -0.34 0.00 0.00 178.44 179.84 1wws h TYR 37 N 0.71 0.94 -0.19 1.25 3.20 -0.72 -2.24 116.97 119.92 1wws h TYR 37 Ca 0.06 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1wws h TYR 37 Cb 0.97 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1wws h TYR 37 CO 0.06 0.73 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.85 1wws h ASP 38 N 0.89 0.25 -0.53 -2.11 3.32 -0.80 0.11 116.42 117.55 1wws h ASP 38 Ca 0.22 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1wws h ASP 38 Cb 0.16 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1wws h ASP 38 CO -0.02 0.32 0.04 -0.07 -1.72 0.00 0.00 179.24 177.79 1wws h LEU 39 N 0.27 0.89 -0.92 1.55 3.38 -0.85 -1.92 115.31 117.71 1wws h LEU 39 Ca 0.06 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1wws h LEU 39 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wws h LEU 39 CO 0.01 0.95 -0.48 -0.07 0.09 0.00 0.00 178.44 178.94 1wws h LEU 40 N 0.79 0.14 -0.27 1.67 3.38 -0.83 -0.88 115.31 119.31 1wws h LEU 40 Ca 0.16 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1wws h LEU 40 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wws h LEU 40 CO 0.02 0.61 -0.18 0.00 0.09 0.00 0.00 178.44 178.98 1wws h ALA 41 N 1.40 0.39 -0.64 1.53 0.00 -0.59 -0.65 119.26 120.70 1wws h ALA 41 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1wws h ALA 41 Cb 0.90 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1wws h ALA 41 CO 0.07 0.31 0.15 0.28 0.00 0.00 0.00 179.25 180.06 1wws h VAL 42 N 0.34 1.25 -0.78 0.00 2.07 -1.27 -2.46 116.25 115.40 1wws h VAL 42 Ca 0.06 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1wws h VAL 42 Cb 0.71 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1wws h VAL 42 CO 0.05 0.35 0.51 0.00 0.02 0.00 0.00 177.57 178.49 1wws h ALA 43 N 1.20 1.02 -0.62 1.67 0.00 -0.79 0.22 119.26 121.95 1wws h ALA 43 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1wws h ALA 43 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1wws h ALA 43 CO 0.00 0.34 0.30 1.49 0.00 0.00 0.00 179.25 181.38 1wws h GLU 44 N 1.00 0.89 -0.76 0.00 4.81 -0.79 0.31 114.58 120.03 1wws h GLU 44 Ca 0.31 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1wws h GLU 44 Cb -0.03 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1wws h GLU 44 CO -0.10 0.72 0.42 -0.09 -0.73 0.00 0.00 179.01 179.23 1wws h ARG 45 N 0.85 1.07 -0.34 1.92 2.43 -0.89 -1.39 114.38 118.03 1wws h ARG 45 Ca 0.21 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1wws h ARG 45 Cb 0.11 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1wws h ARG 45 CO -0.03 0.79 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.99 1wws h ASN 46 N 1.06 0.78 -0.44 -3.80 2.35 -0.58 -0.81 115.58 114.14 1wws h ASN 46 Ca 0.27 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1wws h ASN 46 Cb 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1wws h ASN 46 CO -0.04 1.04 0.21 0.00 -1.65 0.00 0.00 177.43 176.99 1wws h ALA 47 N 1.01 0.56 -0.43 -0.83 0.00 -0.55 -0.96 119.26 118.06 1wws h ALA 47 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wws h ALA 47 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1wws h ALA 47 CO 0.07 0.12 -0.12 0.87 0.00 0.00 0.00 179.25 180.20 1wws h LYS 48 N 0.57 0.79 -0.73 0.00 1.57 -1.13 -1.06 116.57 116.58 1wws h LYS 48 Ca 0.15 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1wws h LYS 48 Cb 0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1wws h LYS 48 CO -0.02 0.87 0.48 -0.92 -0.57 0.00 0.00 179.45 179.29 1wws h TYR 49 N 0.71 0.88 -0.34 -1.35 5.03 -0.67 -1.37 116.97 119.86 1wws h TYR 49 Ca 0.12 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1wws h TYR 49 Cb 0.61 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1wws h TYR 49 CO 0.03 0.53 0.00 0.09 -1.32 0.00 0.00 178.16 177.49 1wws n ASN 50 N -4.44 2.17 -2.89 -2.11 3.02 -0.41 -4.93 115.26 105.68 1wws n ASN 50 Ca 0.09 -2.09 -0.19 0.00 -0.03 0.00 0.00 54.58 52.35 1wws n ASN 50 Cb 0.08 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.90 -0.25 3.51 7.41 0.00 -0.52 -5.02 105.19 111.22 1wws n GLY 51 Ca 0.12 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.96 1.84 -0.01 1.61 0.52 -0.44 -5.02 118.95 111.49 1wws s ARG 52 Ca 0.43 -1.29 0.19 0.00 -0.52 0.00 0.00 55.73 54.54 1wws s ARG 52 Cb -0.19 -2.07 0.55 0.00 0.52 0.00 0.00 34.95 33.76 1wws s ARG 52 CO 0.54 0.44 1.46 -0.25 0.02 0.00 0.00 175.30 177.51 1wws n ASP 53 N 0.37 3.71 -3.83 0.23 10.43 -1.26 -4.24 116.55 121.96 1wws n ASP 53 Ca -0.13 -2.04 -0.12 0.00 2.57 0.00 0.00 54.79 55.07 1wws n ASP 53 Cb 0.54 -0.42 -0.12 0.00 1.84 0.00 0.00 41.12 42.97 1wws n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1wws s LEU 54 N -1.07 1.42 -0.14 0.64 0.20 -1.26 -4.48 118.68 113.98 1wws s LEU 54 Ca 0.42 0.17 -0.19 0.00 0.69 0.00 0.00 54.13 55.22 1wws s LEU 54 Cb 0.22 0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 46.55 1wws s LEU 54 CO 0.28 -0.16 0.51 -0.63 -0.29 0.00 0.00 176.35 176.06 1wws s ILE 55 N -0.37 5.15 0.29 6.68 1.01 -0.91 -4.89 121.20 128.16 1wws s ILE 55 Ca -0.05 0.99 0.11 0.00 0.00 0.00 0.00 60.65 61.70 1wws s ILE 55 Cb -0.03 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1wws s ILE 55 CO 0.01 0.27 -0.14 -0.36 0.00 0.00 0.00 174.94 174.72 1wws s PHE 56 N 0.97 2.38 0.30 3.97 0.08 -1.26 -0.33 117.98 124.09 1wws s PHE 56 Ca 0.26 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.01 1wws s PHE 56 Cb -0.15 -1.12 0.82 0.00 -0.57 0.00 0.00 43.02 41.99 1wws s PHE 56 CO 0.11 0.67 1.66 1.49 -0.10 0.00 0.00 175.22 179.04 1wws h GLU 57 N 2.15 0.28 -0.00 0.44 4.81 -1.96 0.13 114.58 120.42 1wws h GLU 57 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1wws h GLU 57 Cb 1.26 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wws h GLU 57 CO 0.62 0.18 0.00 -1.35 -0.73 0.00 0.00 179.01 177.74 1wws h PRO 58 N 0.29 0.00 0.00 0.92 0.11 -2.01 -1.28 132.00 130.02 1wws h PRO 58 Ca 0.60 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.66 1wws h PRO 58 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1wws h PRO 58 CO -0.61 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 176.46 1wws h ASP 59 N 0.00 0.00 -3.15 -2.05 3.32 -1.07 -3.43 116.42 110.04 1wws h ASP 59 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1wws h ASP 59 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wws h ASP 59 CO -0.00 0.28 0.61 -0.76 -1.72 0.00 0.00 179.24 177.65 1wws s LEU 60 N -7.29 4.33 -1.27 1.55 2.01 -0.48 -3.55 118.68 113.98 1wws s LEU 60 Ca -0.01 1.92 -0.16 0.00 0.01 0.00 0.00 54.13 55.89 1wws s LEU 60 Cb 0.12 -3.57 -0.01 0.00 0.01 0.00 0.00 46.19 42.74 1wws s LEU 60 CO 0.66 -0.51 2.12 -0.81 1.01 0.00 0.00 176.35 178.81 1wws n PRO 61 N 4.47 2.51 -3.29 1.29 -0.04 -1.26 -4.90 135.00 133.78 1wws n PRO 61 Ca 0.10 -2.45 -0.43 0.00 -0.04 0.00 0.00 63.50 60.67 1wws n PRO 61 Cb 0.46 -3.22 -0.08 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.87 5.06 0.78 0.52 1.01 -1.26 -5.07 121.20 126.11 1wws s ILE 62 Ca 0.50 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1wws s ILE 62 Cb 0.13 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1wws s ILE 62 CO -0.02 -0.54 1.09 0.00 0.00 0.00 0.00 174.94 175.46 1wws s ALA 63 N 2.18 2.27 0.32 9.38 0.00 -1.26 -4.78 121.76 129.86 1wws s ALA 63 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1wws s ALA 63 Cb -0.19 -3.15 0.73 0.00 0.00 0.00 0.00 23.12 20.51 1wws s ALA 63 CO 0.12 -1.69 1.83 -0.22 0.00 0.00 0.00 175.76 175.80 1wws h LYS 64 N -1.06 0.77 -0.36 0.00 3.64 -1.99 -0.61 116.57 116.96 1wws h LYS 64 Ca -0.46 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1wws h LYS 64 Cb 1.25 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1wws h LYS 64 CO 0.57 0.51 0.08 0.78 -2.27 0.00 0.00 179.45 179.11 1wws h GLY 65 N 0.79 0.64 1.45 5.01 0.00 -2.00 -1.96 103.07 107.00 1wws h GLY 65 Ca 0.51 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1wws h GLY 65 CO -0.28 0.38 -0.15 -2.00 0.00 0.00 0.00 176.54 174.49 1wws h LEU 66 N 0.44 0.64 -0.83 3.11 6.46 -1.74 -2.03 115.31 121.36 1wws h LEU 66 Ca 0.11 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1wws h LEU 66 Cb 0.33 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1wws h LEU 66 CO 0.00 0.81 0.48 -0.61 -0.62 0.00 0.00 178.44 178.51 1wws h GLN 67 N 0.59 1.14 -0.61 1.25 5.75 -0.88 0.01 115.11 122.36 1wws h GLN 67 Ca 0.10 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1wws h GLN 67 Cb 0.59 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1wws h GLN 67 CO 0.04 0.82 0.07 0.93 -2.65 0.00 0.00 178.83 178.03 1wws h GLU 68 N 1.15 1.02 -0.60 1.69 5.08 -0.96 -1.29 114.58 120.67 1wws h GLU 68 Ca 0.30 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1wws h GLU 68 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1wws h GLU 68 CO -0.05 0.98 0.20 1.15 -1.00 0.00 0.00 179.01 180.29 1wws h THR 69 N 0.93 1.22 -0.72 1.13 2.02 -0.74 0.88 112.91 117.63 1wws h THR 69 Ca 0.18 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1wws h THR 69 Cb 0.47 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1wws h THR 69 CO 0.02 0.29 0.29 0.25 0.37 0.00 0.00 175.52 176.74 1wws h LEU 70 N 0.87 0.99 -0.56 2.58 5.85 -0.56 -0.54 115.31 123.95 1wws h LEU 70 Ca 0.20 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1wws h LEU 70 Cb 0.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1wws h LEU 70 CO -0.01 0.89 0.17 -0.61 -0.34 0.00 0.00 178.44 178.54 1wws h GLN 71 N 1.03 0.88 -0.64 1.25 4.15 -0.28 -1.03 115.11 120.46 1wws h GLN 71 Ca 0.24 -0.19 0.07 0.00 0.77 0.00 0.00 58.65 59.54 1wws h GLN 71 Cb 0.21 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 1wws h GLN 71 CO -0.02 0.80 0.33 0.93 -1.93 0.00 0.00 178.83 178.93 1wws h GLU 72 N 0.79 0.58 -0.48 1.69 4.39 -0.27 -1.44 114.58 119.82 1wws h GLU 72 Ca 0.18 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1wws h GLU 72 Cb 0.29 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1wws h GLU 72 CO -0.01 0.38 0.30 0.35 -1.16 0.00 0.00 179.01 178.88 1wws h PHE 73 N 0.59 0.62 0.00 4.33 3.57 -0.54 -1.72 116.94 123.80 1wws h PHE 73 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1wws h PHE 73 Cb 0.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1wws h PHE 73 CO -0.10 0.42 0.00 0.54 -2.23 0.00 0.00 178.31 176.93 1wws n ARG 74 N -4.73 0.09 -1.85 1.11 1.74 -0.44 -3.96 116.66 108.62 1wws n ARG 74 Ca 0.02 0.58 -0.35 0.00 -0.77 0.00 0.00 57.85 57.34 1wws n ARG 74 Cb 0.04 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 -2.00 3.46 0.00 5.56 1.74 -0.65 -4.89 116.66 119.88 1wws n ARG 75 Ca -0.01 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 1wws n ARG 75 Cb 0.03 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 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 0.73 0.00 -3.49 0.55 8.00 -1.25 -5.13 116.55 115.95 1wws n ASP 77 Ca 0.53 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.71 1wws n ASP 77 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1wws n ASP 77 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1wws n THR 78 N 0.00 3.61 -1.66 -3.53 -1.04 -1.26 -5.06 114.28 105.34 1wws n THR 78 Ca 0.00 -5.55 -0.48 0.00 -2.04 0.00 0.00 64.05 55.98 1wws n THR 78 Cb 0.00 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 66.56 1wws n THR 78 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wws n ALA 79 N 0.66 0.84 -2.79 2.41 0.00 -1.26 -4.99 120.51 115.38 1wws n ALA 79 Ca 0.31 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.89 1wws n ALA 79 Cb 0.37 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1wws n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wws s LEU 80 N 1.38 3.85 0.48 0.00 1.43 -1.26 -5.10 118.68 119.46 1wws s LEU 80 Ca 0.82 -0.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1wws s LEU 80 Cb -0.74 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 1wws s LEU 80 CO 0.42 0.15 1.02 -0.70 0.23 0.00 0.00 176.35 177.47 1wws s GLU 81 N -2.57 3.88 -0.15 1.70 2.56 -1.26 -4.94 118.70 117.93 1wws s GLU 81 Ca 0.30 1.28 -0.28 0.00 0.00 0.00 0.00 54.97 56.27 1wws s GLU 81 Cb -0.12 -2.11 -0.25 0.00 2.00 0.00 0.00 34.13 33.65 1wws s GLU 81 CO 0.23 -0.35 0.68 1.25 -0.56 0.00 0.00 175.26 176.50 1wws h LEU 82 N 1.55 0.00 -0.85 2.70 5.85 -1.98 -3.39 115.31 119.20 1wws h LEU 82 Ca -0.49 -0.91 0.15 0.00 0.84 0.00 0.00 57.88 57.47 1wws h LEU 82 Cb 1.21 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 1wws h LEU 82 CO 0.59 1.07 0.42 0.50 -0.34 0.00 0.00 178.44 180.69 1wws h LYS 83 N -1.00 0.57 -0.60 1.25 1.63 -1.96 -1.87 116.57 114.60 1wws h LYS 83 Ca -0.05 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.79 1wws h LYS 83 Cb 1.04 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.48 1wws h LYS 83 CO -0.03 0.38 0.27 -1.35 -3.45 0.00 0.00 179.45 175.26 1wws h PRO 84 N 0.59 0.47 -0.25 1.90 0.11 -1.84 0.21 132.00 133.20 1wws h PRO 84 Ca 0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 1wws h PRO 84 Cb 0.69 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1wws h PRO 84 CO -0.38 0.31 0.05 0.28 -0.21 0.00 0.00 178.00 178.06 1wws h VAL 85 N 0.49 1.22 -0.92 3.15 2.07 -1.34 0.37 116.25 121.29 1wws h VAL 85 Ca 0.29 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1wws h VAL 85 Cb 0.28 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1wws h VAL 85 CO -0.24 0.24 0.55 -0.07 0.02 0.00 0.00 177.57 178.07 1wws h LEU 86 N 0.23 1.11 -0.50 2.57 3.38 -0.96 -0.28 115.31 120.87 1wws h LEU 86 Ca 0.08 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1wws h LEU 86 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1wws h LEU 86 CO 0.00 0.85 0.05 0.44 0.09 0.00 0.00 178.44 179.88 1wws h ASP 87 N 1.27 0.82 -0.70 -0.43 3.45 -0.34 0.22 116.42 120.72 1wws h ASP 87 Ca 0.33 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1wws h ASP 87 Cb -0.05 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 1wws h ASP 87 CO -0.06 0.90 0.39 0.00 -1.57 0.00 0.00 179.24 178.89 1wws h ALA 88 N 0.96 0.89 -0.04 3.45 0.00 -0.32 -2.62 119.26 121.58 1wws h ALA 88 Ca 0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1wws h ALA 88 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wws h ALA 88 CO 0.02 0.40 -0.71 -0.07 0.00 0.00 0.00 179.25 178.89 1wws h LEU 89 N 0.96 0.26 -2.36 0.00 3.38 -0.88 -3.07 115.31 113.60 1wws h LEU 89 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1wws h LEU 89 Cb 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1wws h LEU 89 CO -0.04 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.33 1wws h ALA 90 N 1.11 1.28 0.00 1.53 0.00 -0.20 0.07 119.26 123.06 1wws h ALA 90 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wws h ALA 90 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wws h ALA 90 CO 0.11 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1wws n ALA 91 N -2.23 1.89 -2.56 0.00 0.00 -1.09 -4.71 120.51 111.81 1wws n ALA 91 Ca -0.02 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1wws n ALA 91 Cb 0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.55 3.50 0.12 0.00 1.43 0.01 -5.07 118.68 116.13 1wws s LEU 92 Ca 0.15 -0.55 -0.35 0.00 -1.03 0.00 0.00 54.13 52.35 1wws s LEU 92 Cb 0.11 -2.06 -0.15 0.00 0.03 0.00 0.00 46.19 44.12 1wws s LEU 92 CO 0.24 -0.27 1.51 -2.65 0.23 0.00 0.00 176.35 175.42 1wws n PRO 93 N -1.25 1.81 -1.97 1.29 -0.02 -1.26 -4.93 135.00 128.68 1wws n PRO 93 Ca -0.03 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 1wws n PRO 93 Cb 0.60 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.92 3.11 0.55 0.52 0.02 -1.26 -5.01 135.00 133.84 1wws s PRO 94 Ca 0.81 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 63.67 1wws s PRO 94 Cb -0.77 -2.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 1wws s PRO 94 CO 0.42 -1.13 0.95 -0.51 -0.33 0.00 0.00 177.00 176.40 1wws s LEU 95 N -3.78 3.47 0.44 -5.54 1.43 -1.26 -4.97 118.68 108.47 1wws s LEU 95 Ca 0.74 1.36 0.24 0.00 -1.03 0.00 0.00 54.13 55.44 1wws s LEU 95 Cb -0.33 -4.34 0.89 0.00 0.03 0.00 0.00 46.19 42.43 1wws s LEU 95 CO 0.38 -0.69 1.81 0.44 0.23 0.00 0.00 176.35 178.51 1wws h ASP 96 N 0.29 0.00 -4.00 2.29 3.32 -1.99 -3.44 116.42 112.89 1wws h ASP 96 Ca -0.46 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 55.90 1wws h ASP 96 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 1wws h ASP 96 CO 0.62 0.22 -0.87 -0.76 -1.72 0.00 0.00 179.24 176.73 1wws s LEU 97 N -6.72 2.32 0.60 1.55 1.43 -1.26 -5.12 118.68 111.47 1wws s LEU 97 Ca 0.01 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1wws s LEU 97 Cb 0.10 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 1wws s LEU 97 CO 0.64 0.20 0.96 -1.61 0.23 0.00 0.00 176.35 176.77 1wws s GLU 98 N -1.84 3.27 0.11 1.70 2.02 -1.26 -4.88 118.70 117.82 1wws s GLU 98 Ca 0.14 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.54 1wws s GLU 98 Cb -0.10 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1wws s GLU 98 CO 0.05 -0.61 0.14 0.14 0.02 0.00 0.00 175.26 175.01 1wws s VAL 99 N -3.07 4.78 0.81 2.63 -7.23 -1.26 -2.14 120.40 114.92 1wws s VAL 99 Ca 0.54 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.81 1wws s VAL 99 Cb -0.11 -3.37 0.09 0.00 0.56 0.00 0.00 36.38 33.55 1wws s VAL 99 CO 0.49 0.04 1.18 0.00 -0.31 0.00 0.00 175.10 176.50 1wws s ALA 100 N -1.55 1.85 0.26 1.32 0.00 0.56 -4.78 121.76 119.42 1wws s ALA 100 Ca 0.31 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 1wws s ALA 100 Cb -0.12 -3.45 0.32 0.00 0.00 0.00 0.00 23.12 19.88 1wws s ALA 100 CO 0.24 -2.26 1.93 0.93 0.00 0.00 0.00 175.76 176.61 1wws h GLU 101 N -1.04 1.25 -0.90 0.00 4.39 -1.98 -2.05 114.58 114.25 1wws h GLU 101 Ca -0.45 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.19 1wws h GLU 101 Cb 1.28 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 1wws h GLU 101 CO 0.46 0.83 0.60 -0.44 -1.16 0.00 0.00 179.01 179.29 1wws h ASP 102 N 1.29 1.01 -0.33 1.42 3.45 -1.96 -1.90 116.42 119.40 1wws h ASP 102 Ca 0.36 -0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.69 1wws h ASP 102 Cb -0.11 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.40 1wws h ASP 102 CO -0.09 0.72 -0.21 0.58 -1.57 0.00 0.00 179.24 178.67 1wws h VAL 103 N 1.19 1.29 -0.60 -1.35 2.07 -1.75 -2.48 116.25 114.63 1wws h VAL 103 Ca 0.34 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.59 1wws h VAL 103 Cb -0.08 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1wws h VAL 103 CO -0.08 0.44 0.26 -0.09 0.02 0.00 0.00 177.57 178.12 1wws h ARG 104 N 0.50 0.47 0.00 1.57 2.43 -0.89 -0.45 114.38 118.01 1wws h ARG 104 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1wws h ARG 104 Cb 0.76 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1wws h ARG 104 CO 0.06 0.31 0.00 0.09 -1.51 0.00 0.00 179.97 178.92 1wws n ASN 105 N -4.93 0.42 0.06 -3.80 3.02 -0.76 -2.72 115.26 106.56 1wws n ASN 105 Ca 0.08 0.57 -0.01 0.00 -0.03 0.00 0.00 54.58 55.20 1wws n ASN 105 Cb 0.22 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.35 3.41 5.85 -0.62 -3.39 115.31 120.21 1wws h LEU 106 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1wws h LEU 106 Cb 0.45 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1wws h LEU 106 CO 0.00 0.62 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.42 1wws h LEU 107 N 0.00 -0.78 -1.83 2.25 3.38 -1.19 -0.86 115.31 116.27 1wws h LEU 107 Ca -0.11 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wws h LEU 107 Cb 1.57 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1wws h LEU 107 CO 0.06 -0.26 0.12 1.55 0.09 0.00 0.00 178.44 180.00 1wws h PRO 108 N -0.19 0.23 -0.31 1.13 0.13 -1.76 -0.31 132.00 130.92 1wws h PRO 108 Ca 0.17 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1wws h PRO 108 Cb 0.46 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1wws h PRO 108 CO -0.46 0.15 -0.44 0.93 -0.23 0.00 0.00 178.00 177.94 1wws h GLU 109 N 0.24 0.80 -0.54 0.86 5.08 -1.45 -1.50 114.58 118.07 1wws h GLU 109 Ca 0.07 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1wws h GLU 109 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1wws h GLU 109 CO -0.01 1.08 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.97 1wws h LEU 110 N 0.64 0.94 -0.43 1.33 3.38 -0.30 0.85 115.31 121.71 1wws h LEU 110 Ca 0.04 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1wws h LEU 110 Cb 1.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1wws h LEU 110 CO 0.10 1.02 0.26 0.00 0.09 0.00 0.00 178.44 179.90 1wws h ALA 111 N 1.08 0.55 -0.62 1.53 0.00 -0.87 0.20 119.26 121.12 1wws h ALA 111 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1wws h ALA 111 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wws h ALA 111 CO 0.03 -0.07 0.33 0.78 0.00 0.00 0.00 179.25 180.33 1wws h GLY 112 N 0.51 0.94 1.35 0.00 0.00 -0.74 -1.41 103.07 103.72 1wws h GLY 112 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1wws h GLY 112 CO -0.08 0.42 0.19 0.00 0.00 0.00 0.00 176.54 177.07 1wws h ALA 113 N 1.15 1.28 -0.52 3.60 0.00 -0.17 -1.20 119.26 123.41 1wws h ALA 113 Ca 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wws h ALA 113 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wws h ALA 113 CO -0.03 0.52 -0.07 -0.07 0.00 0.00 0.00 179.25 179.59 1wws h LEU 114 N 0.81 0.96 -0.29 0.00 3.38 -0.15 -0.61 115.31 119.41 1wws h LEU 114 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1wws h LEU 114 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1wws h LEU 114 CO -0.01 1.07 0.12 0.58 0.09 0.00 0.00 178.44 180.30 1wws h VAL 115 N 0.83 1.17 -0.38 1.22 2.07 -0.81 0.60 116.25 120.95 1wws h VAL 115 Ca 0.14 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1wws h VAL 115 Cb 0.63 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1wws h VAL 115 CO 0.04 0.18 0.06 0.58 0.02 0.00 0.00 177.57 178.45 1wws h VAL 116 N 0.32 0.79 -0.64 2.57 2.07 -1.02 0.14 116.25 120.49 1wws h VAL 116 Ca 0.10 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1wws h VAL 116 Cb 0.16 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1wws h VAL 116 CO -0.01 0.03 0.13 0.00 0.02 0.00 0.00 177.57 177.74 1wws h ALA 117 N 1.29 0.85 -0.39 1.67 0.00 -0.90 -1.91 119.26 119.88 1wws h ALA 117 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wws h ALA 117 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wws h ALA 117 CO -0.25 0.59 0.17 -0.92 0.00 0.00 0.00 179.25 178.83 1wws h TYR 118 N 0.96 0.58 -0.37 0.00 5.03 -0.21 -0.85 116.97 122.10 1wws h TYR 118 Ca 0.20 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1wws h TYR 118 Cb 0.40 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1wws h TYR 118 CO 0.03 0.51 0.24 0.00 -1.32 0.00 0.00 178.16 177.62 1wws h ALA 119 N 1.01 0.47 0.00 1.82 0.00 -0.59 -1.56 119.26 120.42 1wws h ALA 119 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wws h ALA 119 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wws h ALA 119 CO -0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 179.25 179.01 1wws h ARG 120 N 0.50 0.00 -0.12 0.00 3.08 -1.14 -0.80 114.38 115.89 1wws h ARG 120 Ca 0.13 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 1wws h ARG 120 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1wws h ARG 120 CO -0.03 0.16 -0.80 0.28 -1.07 0.00 0.00 179.97 178.51 1wws h VAL 121 N 0.00 1.28 -0.22 2.04 2.07 -0.54 -2.25 116.25 118.64 1wws h VAL 121 Ca -0.00 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1wws h VAL 121 Cb 0.51 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1wws h VAL 121 CO 0.02 0.63 0.11 -0.07 0.02 0.00 0.00 177.57 178.28 1wws h LEU 122 N 0.49 0.28 -2.61 2.57 3.38 -0.67 -0.63 115.31 118.12 1wws h LEU 122 Ca -0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1wws h LEU 122 Cb 1.44 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1wws h LEU 122 CO 0.16 0.32 -0.01 0.50 0.09 0.00 0.00 178.44 179.50 1wws h LYS 123 N 0.23 0.00 0.00 1.13 3.64 -1.16 -1.70 116.57 118.71 1wws h LYS 123 Ca 0.08 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1wws h LYS 123 Cb 0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1wws h LYS 123 CO -0.01 0.01 -1.51 -1.91 -2.27 0.00 0.00 179.45 173.77 1wws n GLU 124 N -3.31 0.63 0.13 1.90 4.07 -0.76 -2.94 120.64 120.34 1wws n GLU 124 Ca -0.03 0.20 0.11 0.00 -0.06 0.00 0.00 57.16 57.39 1wws n GLU 124 Cb 0.11 -1.78 0.49 0.00 -0.06 0.00 0.00 31.44 30.20 1wws n GLU 124 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wws n LEU 125 N -2.87 0.60 -3.01 4.31 4.77 -0.32 -4.39 117.00 116.10 1wws n LEU 125 Ca -0.11 0.67 0.04 0.00 -0.03 0.00 0.00 56.01 56.58 1wws n LEU 125 Cb 0.86 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1wws n LEU 125 CO 0.43 -0.62 0.49 -0.62 -1.33 0.00 0.00 177.39 175.74 1wws s ASP 126 N -4.11 -0.40 0.62 -1.43 -1.08 -1.20 -5.03 116.67 104.04 1wws s ASP 126 Ca 0.03 -0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.25 1wws s ASP 126 Cb 0.08 0.95 1.05 0.00 -1.46 0.00 0.00 42.92 43.54 1wws s ASP 126 CO 0.34 -0.06 1.51 -0.65 0.52 0.00 0.00 175.17 176.82 1wws h PRO 127 N 6.55 0.00 -3.47 4.34 0.11 -1.74 -3.21 132.00 134.59 1wws h PRO 127 Ca -0.07 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.32 1wws h PRO 127 Cb 1.20 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.97 1wws h PRO 127 CO -0.09 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 177.60 1wws s ALA 128 N -4.40 4.07 -0.18 -0.75 0.00 -1.26 -5.02 121.76 114.22 1wws s ALA 128 Ca -0.03 -3.61 -0.18 0.00 0.00 0.00 0.00 51.96 48.14 1wws s ALA 128 Cb 0.12 -2.92 0.05 0.00 0.00 0.00 0.00 23.12 20.37 1wws s ALA 128 CO 0.41 -2.16 0.51 -0.51 0.00 0.00 0.00 175.76 174.02 1wws s LEU 129 N -0.79 0.04 0.00 0.00 1.43 -1.21 -5.04 118.68 113.12 1wws s LEU 129 Ca 0.23 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1wws s LEU 129 Cb -0.12 1.77 0.00 0.00 0.03 0.00 0.00 46.19 47.87 1wws s LEU 129 CO -0.09 -0.20 0.00 0.29 0.23 0.00 0.00 176.35 176.58 1wws n LYS 130 N 2.71 1.63 -3.26 1.70 5.02 -1.26 -4.80 118.16 119.91 1wws n LYS 130 Ca -0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.00 1wws n LYS 130 Cb 0.56 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.55 0.54 0.56 4.39 3.84 -1.26 0.20 114.94 121.67 1wws s ASN 131 Ca 0.00 -1.82 -0.21 0.00 0.21 0.00 0.00 52.86 51.04 1wws s ASN 131 Cb 0.00 0.72 -0.05 0.00 -0.55 0.00 0.00 41.25 41.37 1wws s ASN 131 CO 0.00 -0.20 1.23 -2.65 -2.79 0.00 0.00 177.10 172.69 1wws n PRO 132 N 3.78 1.42 -3.51 0.43 -0.02 -1.26 -4.97 135.00 130.87 1wws n PRO 132 Ca 0.16 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.96 1wws n PRO 132 Cb 0.48 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1wws n PRO 132 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1wws n GLN 133 N -1.00 0.98 -0.35 -0.52 6.02 -1.26 -4.79 117.38 116.47 1wws n GLN 133 Ca 0.12 -2.59 0.27 0.00 -0.01 0.00 0.00 57.00 54.79 1wws n GLN 133 Cb 0.45 0.45 0.57 0.00 1.02 0.00 0.00 30.24 32.73 1wws n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1wws h THR 134 N 0.85 0.43 -0.13 5.09 2.02 -1.99 0.45 112.91 119.63 1wws h THR 134 Ca -0.28 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 1wws h THR 134 Cb 0.93 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1wws h THR 134 CO 0.45 0.05 -0.36 -0.33 0.37 0.00 0.00 175.52 175.70 1wws h GLU 135 N 0.28 0.27 0.05 6.66 5.08 -2.00 -1.86 114.58 123.06 1wws h GLU 135 Ca 0.63 -0.11 -0.24 0.00 -1.00 0.00 0.00 59.36 58.64 1wws h GLU 135 Cb 1.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1wws h GLU 135 CO -0.28 0.60 -1.15 0.45 -1.00 0.00 0.00 179.01 177.63 1wws h HIS 136 N 0.23 0.21 -0.25 4.33 3.86 -0.52 -3.12 115.15 119.89 1wws h HIS 136 Ca 0.03 -0.15 -0.16 0.00 -1.16 0.00 0.00 60.37 58.92 1wws h HIS 136 Cb 0.74 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1wws h HIS 136 CO 0.01 1.13 -0.50 0.45 0.86 0.00 0.00 177.93 179.88 1wws h HIS 137 N 0.03 0.87 -0.43 2.45 3.86 -1.10 -1.48 115.15 119.36 1wws h HIS 137 Ca -0.08 -0.29 -0.10 0.00 -1.16 0.00 0.00 60.37 58.74 1wws h HIS 137 Cb 1.87 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.15 1wws h HIS 137 CO 0.03 1.06 -0.12 1.05 0.86 0.00 0.00 177.93 180.81 1wws h GLU 138 N 0.55 0.77 -0.17 2.45 4.11 -1.42 0.01 114.58 120.88 1wws h GLU 138 Ca 0.02 -0.26 -0.19 0.00 0.07 0.00 0.00 59.36 59.00 1wws h GLU 138 Cb 1.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1wws h GLU 138 CO 0.10 0.86 -0.65 0.00 0.07 0.00 0.00 179.01 179.40 1wws h ARG 139 N 0.70 0.63 -0.56 1.06 3.08 -1.48 -1.91 114.38 115.90 1wws h ARG 139 Ca 0.12 -0.45 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 1wws h ARG 139 Cb 0.61 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1wws h ARG 139 CO 0.04 1.07 0.02 0.00 -1.07 0.00 0.00 179.97 180.03 1wws h ALA 140 N 0.82 0.75 -0.53 0.04 0.00 -1.01 -2.18 119.26 117.15 1wws h ALA 140 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1wws h ALA 140 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1wws h ALA 140 CO 0.13 0.56 0.20 0.93 0.00 0.00 0.00 179.25 181.07 1wws h GLU 141 N 0.85 0.79 -0.88 0.00 5.08 -0.91 -1.56 114.58 117.96 1wws h GLU 141 Ca 0.16 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1wws h GLU 141 Cb 0.51 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1wws h GLU 141 CO 0.02 0.70 0.52 0.00 -1.00 0.00 0.00 179.01 179.25 1wws h ARG 142 N 0.71 1.19 -0.34 2.33 3.08 -1.19 -0.44 114.38 119.73 1wws h ARG 142 Ca 0.18 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1wws h ARG 142 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1wws h ARG 142 CO -0.01 0.84 0.07 0.28 -1.07 0.00 0.00 179.97 180.07 1wws h VAL 143 N 1.21 1.23 -0.26 2.04 2.07 -1.05 -3.04 116.25 118.45 1wws h VAL 143 Ca 0.31 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1wws h VAL 143 Cb -0.04 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1wws h VAL 143 CO -0.06 0.27 0.16 -0.26 0.02 0.00 0.00 177.57 177.70 1wws h PHE 144 N 0.39 0.33 -0.20 1.57 0.05 -0.87 -2.60 116.94 115.62 1wws h PHE 144 Ca 0.10 0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.96 1wws h PHE 144 Cb 0.33 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 1wws h PHE 144 CO 0.02 0.23 0.36 -0.91 -0.18 0.00 0.00 178.31 177.83 1wws h ASN 145 N 0.34 0.00 0.95 2.17 -0.26 -0.99 0.53 115.58 118.31 1wws h ASN 145 Ca 0.09 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.70 1wws h ASN 145 Cb -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1wws h ASN 145 CO -0.02 0.00 -0.62 -0.07 -1.06 0.00 0.00 177.43 175.67 1wws h LEU 146 N 0.00 0.00 0.00 1.61 3.38 -1.35 -3.37 115.31 115.57 1wws h LEU 146 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wws h LEU 146 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wws h LEU 146 CO -0.00 0.62 -0.28 0.18 0.09 0.00 0.00 178.44 179.05 1wws n LEU 147 N -3.50 0.00 0.00 1.67 4.77 0.04 -5.15 117.00 114.83 1wws n LEU 147 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 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 0.41 0.00 0.08 0.18 -1.33 0.00 0.00 177.39 176.74