#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4p s ASN 4 N 0.00 4.08 0.09 1.61 0.02 -1.26 -5.02 114.94 114.46 2w4p s ASN 4 Ca 0.00 0.11 -0.31 0.00 -1.02 0.00 0.00 52.86 51.64 2w4p s ASN 4 Cb 0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 41.25 40.72 2w4p s ASN 4 CO 0.00 -2.07 1.59 -0.89 0.02 0.00 0.00 177.10 175.75 2w4p s THR 5 N -3.43 2.99 -0.11 1.60 2.01 -1.26 -5.00 115.64 112.45 2w4p s THR 5 Ca 0.67 0.55 -0.03 0.00 0.31 0.00 0.00 61.69 63.19 2w4p s THR 5 Cb -0.07 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2w4p s THR 5 CO 0.47 0.01 0.01 -0.76 -0.69 0.00 0.00 174.62 173.66 2w4p s LEU 6 N 2.10 3.58 0.18 4.42 1.43 -1.26 -3.56 118.68 125.57 2w4p s LEU 6 Ca 0.71 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 2w4p s LEU 6 Cb -0.40 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2w4p s LEU 6 CO 0.31 0.32 -0.17 0.27 0.23 0.00 0.00 176.35 177.32 2w4p s ILE 7 N -0.55 1.79 0.06 -0.59 -4.36 -0.51 -1.22 121.20 115.82 2w4p s ILE 7 Ca 0.09 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.54 2w4p s ILE 7 Cb -0.12 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 2w4p s ILE 7 CO 0.02 -0.42 -0.23 -0.55 0.24 0.00 0.00 174.94 174.00 2w4p s SER 8 N -2.92 2.74 -0.10 4.36 0.15 -0.25 -1.47 113.70 116.22 2w4p s SER 8 Ca 0.18 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 56.15 2w4p s SER 8 Cb -0.04 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 2w4p s SER 8 CO 0.07 0.17 0.27 0.54 1.20 0.00 0.00 173.24 175.49 2w4p s VAL 9 N -0.88 0.00 0.18 4.45 0.11 -0.60 -1.16 120.40 122.50 2w4p s VAL 9 Ca 0.09 -0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 2w4p s VAL 9 Cb -0.09 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 2w4p s VAL 9 CO 0.03 -0.00 0.62 -1.81 -3.33 0.00 0.00 175.10 170.60 2w4p s ASP 10 N 0.14 6.89 0.02 3.54 1.11 0.12 -1.45 116.67 127.04 2w4p s ASP 10 Ca -0.00 1.19 0.01 0.00 0.18 0.00 0.00 52.55 53.94 2w4p s ASP 10 Cb -0.02 -2.33 -0.02 0.00 1.07 0.00 0.00 42.92 41.62 2w4p s ASP 10 CO 0.00 0.06 -0.05 -0.72 1.18 0.00 0.00 175.17 175.64 2w4p s TYR 11 N -1.52 0.45 -0.02 4.23 1.13 -0.50 -1.48 117.35 119.64 2w4p s TYR 11 Ca 0.41 -0.38 -0.00 0.00 -1.41 0.00 0.00 57.07 55.69 2w4p s TYR 11 Cb -0.15 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.46 2w4p s TYR 11 CO 0.20 -0.09 0.03 -2.00 -2.51 0.00 0.00 175.55 171.18 2w4p s GLU 12 N -1.10 0.00 -0.12 -3.49 2.12 -0.61 -1.35 118.70 114.15 2w4p s GLU 12 Ca -0.08 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2w4p s GLU 12 Cb -0.07 -0.32 -0.01 0.00 0.26 0.00 0.00 34.13 33.99 2w4p s GLU 12 CO -0.00 -0.19 -0.17 0.42 -0.54 0.00 0.00 175.26 174.78 2w4p s ILE 13 N 1.23 2.69 -0.15 -3.70 -1.09 0.46 -0.73 121.20 119.90 2w4p s ILE 13 Ca -0.07 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.52 2w4p s ILE 13 Cb -0.13 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 2w4p s ILE 13 CO -0.03 0.54 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.83 2w4p s PHE 14 N 0.32 3.05 -5.00 3.97 0.08 0.08 -2.01 117.98 118.48 2w4p s PHE 14 Ca -0.13 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2w4p s PHE 14 Cb -0.17 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2w4p s PHE 14 CO 0.07 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.63 2w4p n GLY 15 N 3.40 0.01 3.56 4.36 0.00 -1.26 0.62 105.19 115.88 2w4p n GLY 15 Ca -0.17 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 2w4p n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w4p s LYS 16 N -2.00 3.58 0.00 1.61 2.20 -0.07 -4.67 119.74 120.39 2w4p s LYS 16 Ca 0.00 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 2w4p s LYS 16 Cb 0.00 -5.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.01 2w4p s LYS 16 CO 0.00 -2.19 0.25 1.33 -0.36 0.00 0.00 175.35 174.38 2w4p n VAL 17 N 6.82 0.00 -4.39 4.02 0.24 -1.26 -2.56 118.33 121.20 2w4p n VAL 17 Ca 0.32 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.34 62.08 2w4p n VAL 17 Cb 0.51 1.44 -0.12 0.00 -1.47 0.00 0.00 33.84 34.20 2w4p n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2w4p s GLN 18 N -0.03 1.60 -0.83 7.34 -0.21 -1.26 -4.46 119.66 121.81 2w4p s GLN 18 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 53.94 2w4p s GLN 18 Cb 0.00 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.09 2w4p s GLN 18 CO 0.00 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2w4p n GLY 19 N 0.36 0.95 0.36 3.09 0.00 -1.26 -4.89 105.19 103.80 2w4p n GLY 19 Ca -0.13 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.54 2w4p n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2w4p n VAL 20 N -2.65 1.44 -2.73 1.61 0.24 -1.26 -5.00 118.33 109.99 2w4p n VAL 20 Ca -0.08 -1.92 -0.18 0.00 -2.04 0.00 0.00 64.34 60.12 2w4p n VAL 20 Cb 0.32 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 2w4p n VAL 20 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2w4p n PHE 21 N -0.95 -1.52 -0.13 6.34 3.72 -1.26 -4.61 117.46 119.04 2w4p n PHE 21 Ca 0.13 0.19 -0.08 0.00 -0.05 0.00 0.00 57.45 57.64 2w4p n PHE 21 Cb 0.70 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.90 2w4p n PHE 21 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2w4p h PHE 22 N -0.45 0.53 -0.06 1.38 3.57 -1.95 -2.76 116.94 117.20 2w4p h PHE 22 Ca -0.40 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 2w4p h PHE 22 Cb 1.29 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2w4p h PHE 22 CO 0.64 0.33 0.02 0.00 -2.23 0.00 0.00 178.31 177.07 2w4p h ARG 23 N 0.57 0.09 -0.81 1.11 3.08 -1.90 0.29 114.38 116.80 2w4p h ARG 23 Ca 0.15 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.36 2w4p h ARG 23 Cb -0.07 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.86 2w4p h ARG 23 CO -0.03 0.23 0.33 -0.22 -1.07 0.00 0.00 179.97 179.21 2w4p h LYS 24 N -0.08 0.42 0.00 0.04 3.11 -1.96 -0.64 116.57 117.47 2w4p h LYS 24 Ca 0.02 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.65 2w4p h LYS 24 Cb 0.18 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 2w4p h LYS 24 CO -0.00 0.28 -0.88 0.45 -2.81 0.00 0.00 179.45 176.49 2w4p h HIS 25 N 0.44 0.00 -0.29 1.91 3.86 -1.25 -2.07 115.15 117.75 2w4p h HIS 25 Ca 0.47 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.62 2w4p h HIS 25 Cb 0.78 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 2w4p h HIS 25 CO -0.16 0.88 -0.05 1.15 0.86 0.00 0.00 177.93 180.61 2w4p h THR 26 N 0.00 1.27 -0.31 2.45 2.02 -0.25 -1.05 112.91 117.05 2w4p h THR 26 Ca -0.01 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2w4p h THR 26 Cb 1.56 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2w4p h THR 26 CO 0.11 0.34 0.20 -0.61 0.37 0.00 0.00 175.52 175.93 2w4p h GLN 27 N 0.32 0.40 -0.00 6.66 4.15 -1.05 -0.40 115.11 125.19 2w4p h GLN 27 Ca 0.08 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2w4p h GLN 27 Cb 0.51 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 2w4p h GLN 27 CO 0.02 0.26 0.00 0.00 -1.93 0.00 0.00 178.83 177.19 2w4p h ALA 28 N 1.12 0.00 -0.38 3.38 0.00 -1.27 -1.80 119.26 120.31 2w4p h ALA 28 Ca 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2w4p h ALA 28 Cb -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2w4p h ALA 28 CO -0.03 -0.50 0.04 1.49 0.00 0.00 0.00 179.25 180.25 2w4p h GLU 29 N 0.00 0.65 -0.50 0.00 4.57 -1.09 -0.22 114.58 117.99 2w4p h GLU 29 Ca 0.00 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2w4p h GLU 29 Cb 0.00 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.45 2w4p h GLU 29 CO -0.00 0.73 0.06 0.78 -1.18 0.00 0.00 179.01 179.40 2w4p h GLY 30 N 0.49 0.58 1.04 1.92 0.00 -0.97 -0.67 103.07 105.46 2w4p h GLY 30 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2w4p h GLY 30 CO 0.01 -0.10 0.11 0.50 0.00 0.00 0.00 176.54 177.06 2w4p h LYS 31 N 0.19 1.03 -0.80 4.80 1.57 -1.19 0.70 116.57 122.87 2w4p h LYS 31 Ca 0.25 -0.27 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2w4p h LYS 31 Cb 0.36 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2w4p h LYS 31 CO -0.37 0.96 0.48 -0.22 -0.57 0.00 0.00 179.45 179.74 2w4p h LYS 32 N 0.94 0.87 -0.05 3.15 3.64 -0.31 -1.62 116.57 123.19 2w4p h LYS 32 Ca 0.19 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2w4p h LYS 32 Cb 0.42 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2w4p h LYS 32 CO 0.01 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 179.05 2w4p n LEU 33 N -4.66 0.78 -0.16 5.20 4.77 -0.33 -4.90 117.00 117.70 2w4p n LEU 33 Ca 0.11 -0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 55.77 2w4p n LEU 33 Cb 0.16 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2w4p n LEU 33 CO 0.31 0.15 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 2w4p n GLY 34 N 1.01 0.38 3.95 -0.72 0.00 -0.61 -4.87 105.19 104.33 2w4p n GLY 34 Ca 0.18 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 2w4p n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w4p s LEU 35 N -0.43 4.22 0.35 0.99 1.43 0.20 -4.86 118.68 120.58 2w4p s LEU 35 Ca 0.00 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2w4p s LEU 35 Cb 0.00 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 2w4p s LEU 35 CO 0.00 -0.11 -0.07 0.68 0.23 0.00 0.00 176.35 177.08 2w4p s VAL 36 N -2.02 2.27 -2.24 -1.59 -7.23 -0.93 -4.28 120.40 104.39 2w4p s VAL 36 Ca 0.37 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2w4p s VAL 36 Cb -0.10 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2w4p s VAL 36 CO 0.31 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 2w4p n GLY 37 N -0.84 0.52 3.56 2.32 0.00 -0.79 -0.44 105.19 109.53 2w4p n GLY 37 Ca -0.05 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 2w4p n GLY 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2w4p s TRP 38 N -4.00 -0.40 -0.02 1.61 1.48 -0.89 -2.43 118.94 114.29 2w4p s TRP 38 Ca 0.00 0.13 -0.05 0.00 -1.06 0.00 0.00 56.10 55.12 2w4p s TRP 38 Cb 0.00 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 32.91 2w4p s TRP 38 CO 0.00 -0.90 0.11 0.54 -4.06 0.00 0.00 176.95 172.65 2w4p s VAL 39 N -3.66 0.04 0.14 -0.66 0.11 -0.72 -2.61 120.40 113.05 2w4p s VAL 39 Ca 0.05 -0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.64 2w4p s VAL 39 Cb -0.02 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2w4p s VAL 39 CO -0.06 -0.19 0.34 0.00 -3.33 0.00 0.00 175.10 171.86 2w4p s GLN 40 N -0.60 1.11 0.36 1.54 -2.07 0.14 -1.20 119.66 118.94 2w4p s GLN 40 Ca -0.07 -0.95 -0.25 0.00 -1.82 0.00 0.00 55.36 52.27 2w4p s GLN 40 Cb -0.04 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 32.20 2w4p s GLN 40 CO 0.01 -0.42 0.99 -0.80 -1.32 0.00 0.00 175.29 173.74 2w4p s ASN 41 N -2.89 7.08 0.42 12.60 0.01 -0.95 -0.03 114.94 131.19 2w4p s ASN 41 Ca 0.09 1.90 0.07 0.00 -0.71 0.00 0.00 52.86 54.22 2w4p s ASN 41 Cb 0.02 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 2w4p s ASN 41 CO -0.06 -0.25 0.29 0.42 -1.51 0.00 0.00 177.10 175.99 2w4p s THR 42 N -1.69 2.49 -0.25 1.60 -4.23 -0.51 -4.85 115.64 108.21 2w4p s THR 42 Ca 0.54 -1.50 0.28 0.00 -1.18 0.00 0.00 61.69 59.84 2w4p s THR 42 Cb -0.19 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.00 2w4p s THR 42 CO 0.24 0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.90 2w4p h ASP 43 N 1.20 0.00 -0.35 3.99 -0.00 -1.99 -2.73 116.42 116.55 2w4p h ASP 43 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.61 2w4p h ASP 43 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.59 2w4p h ASP 43 CO 0.63 0.00 0.00 -2.11 -0.00 0.00 0.00 179.24 177.76 2w4p n ARG 44 N -2.83 3.12 -0.99 4.15 1.85 -1.26 -4.92 116.66 115.79 2w4p n ARG 44 Ca 0.02 -1.80 0.00 0.00 -1.00 0.00 0.00 57.85 55.07 2w4p n ARG 44 Cb 0.36 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 2w4p n ARG 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2w4p n GLY 45 N 0.47 0.85 3.99 2.89 0.00 -1.03 -5.04 105.19 107.32 2w4p n GLY 45 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2w4p n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w4p s THR 46 N -3.45 2.32 -0.09 2.61 -4.23 -1.26 -4.58 115.64 106.96 2w4p s THR 46 Ca 0.00 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2w4p s THR 46 Cb 0.00 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 2w4p s THR 46 CO 0.00 0.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.29 2w4p s VAL 47 N -2.99 3.44 0.05 2.29 1.01 -0.85 -1.43 120.40 121.92 2w4p s VAL 47 Ca 0.63 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2w4p s VAL 47 Cb -0.07 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2w4p s VAL 47 CO 0.42 0.57 -0.05 -1.58 0.00 0.00 0.00 175.10 174.46 2w4p s GLN 48 N -0.40 0.56 0.00 2.72 0.74 0.96 -0.41 119.66 123.83 2w4p s GLN 48 Ca 0.05 -0.98 0.00 0.00 0.05 0.00 0.00 55.36 54.49 2w4p s GLN 48 Cb -0.12 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2w4p s GLN 48 CO 0.02 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 2w4p n GLY 49 N 0.79 -1.01 3.14 2.59 0.00 -0.46 -0.68 105.19 109.56 2w4p n GLY 49 Ca -0.18 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2w4p n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w4p s GLN 50 N -0.22 0.73 -0.07 1.61 -0.21 -1.07 -1.41 119.66 119.02 2w4p s GLN 50 Ca 0.00 -0.98 0.05 0.00 0.02 0.00 0.00 55.36 54.45 2w4p s GLN 50 Cb 0.00 -0.51 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 2w4p s GLN 50 CO 0.00 0.09 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.51 2w4p s LEU 51 N -2.01 2.07 0.01 2.90 1.43 -0.53 -2.10 118.68 120.45 2w4p s LEU 51 Ca -0.01 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2w4p s LEU 51 Cb -0.07 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2w4p s LEU 51 CO 0.00 0.21 -0.09 -1.10 0.23 0.00 0.00 176.35 175.61 2w4p s GLN 52 N 0.01 0.67 0.00 1.70 -0.21 0.42 -1.56 119.66 120.69 2w4p s GLN 52 Ca -0.09 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 54.87 2w4p s GLN 52 Cb -0.15 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.24 2w4p s GLN 52 CO 0.05 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 2w4p n GLY 53 N 2.54 -1.92 3.73 3.09 0.00 -0.54 -2.18 105.19 109.91 2w4p n GLY 53 Ca -0.15 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2w4p n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2w4p n PRO 54 N -0.51 1.92 -0.24 1.61 -0.02 -1.26 -1.42 135.00 135.08 2w4p n PRO 54 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2w4p n PRO 54 Cb 0.00 -2.53 0.12 0.00 -0.02 0.00 0.00 33.50 31.08 2w4p n PRO 54 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2w4p h ILE 55 N 1.87 0.90 -0.50 4.25 2.04 -1.93 -1.64 117.51 122.51 2w4p h ILE 55 Ca -0.50 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 2w4p h ILE 55 Cb 1.29 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2w4p h ILE 55 CO 0.59 0.12 0.05 0.77 0.00 0.00 0.00 178.15 179.68 2w4p h SER 56 N 0.65 0.76 -0.16 1.72 4.64 -1.93 0.18 113.55 119.40 2w4p h SER 56 Ca 0.33 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2w4p h SER 56 Cb 0.29 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2w4p h SER 56 CO -0.23 0.80 -0.12 0.11 -0.87 0.00 0.00 176.83 176.52 2w4p h LYS 57 N 0.76 0.36 -0.46 4.77 6.56 -1.73 -2.12 116.57 124.71 2w4p h LYS 57 Ca 0.16 -0.18 0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2w4p h LYS 57 Cb 0.39 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 2w4p h LYS 57 CO 0.01 0.71 0.27 0.28 -2.06 0.00 0.00 179.45 178.66 2w4p h VAL 58 N 0.02 1.04 -0.87 0.50 2.07 -1.13 -2.17 116.25 115.72 2w4p h VAL 58 Ca 0.03 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2w4p h VAL 58 Cb 0.62 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2w4p h VAL 58 CO 0.03 0.10 0.56 0.03 0.02 0.00 0.00 177.57 178.31 2w4p h ARG 59 N 0.55 1.15 -0.11 1.57 2.47 -0.92 0.18 114.38 119.27 2w4p h ARG 59 Ca 0.19 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2w4p h ARG 59 Cb 0.02 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 2w4p h ARG 59 CO -0.09 0.77 0.06 1.25 0.56 0.00 0.00 179.97 182.52 2w4p h HIS 60 N 1.18 0.11 -0.37 3.04 2.76 -1.28 -1.65 115.15 118.94 2w4p h HIS 60 Ca 0.32 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.44 2w4p h HIS 60 Cb -0.11 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2w4p h HIS 60 CO -0.01 0.07 0.02 1.98 -1.30 0.00 0.00 177.93 178.69 2w4p h MET 61 N 0.13 0.57 -0.83 5.26 1.85 -0.85 -0.97 114.93 120.09 2w4p h MET 61 Ca 0.04 -0.12 -0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2w4p h MET 61 Cb -0.00 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 31.90 2w4p h MET 61 CO -0.02 0.58 0.51 1.96 -0.40 0.00 0.00 176.91 179.54 2w4p h GLN 62 N 0.55 1.13 -0.77 0.39 4.20 -0.22 -1.44 115.11 118.95 2w4p h GLN 62 Ca 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2w4p h GLN 62 Cb 0.33 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2w4p h GLN 62 CO 0.01 0.79 0.42 0.93 -0.67 0.00 0.00 178.83 180.30 2w4p h GLU 63 N 1.14 1.08 -0.58 1.46 5.08 -0.36 -1.50 114.58 120.90 2w4p h GLU 63 Ca 0.30 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2w4p h GLU 63 Cb -0.06 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 28.93 2w4p h GLU 63 CO -0.06 0.80 0.28 2.35 -1.00 0.00 0.00 179.01 181.38 2w4p h TRP 64 N 1.07 0.50 0.00 4.33 7.01 -0.67 -1.68 115.95 126.51 2w4p h TRP 64 Ca 0.27 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.29 2w4p h TRP 64 Cb 0.04 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 2w4p h TRP 64 CO 0.00 0.21 0.00 -0.07 -2.79 0.00 0.00 178.44 175.79 2w4p h LEU 65 N 0.51 0.00 0.13 0.65 3.38 -0.84 0.59 115.31 119.73 2w4p h LEU 65 Ca 0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 2w4p h LEU 65 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2w4p h LEU 65 CO -0.21 0.00 -1.54 -0.33 0.09 0.00 0.00 178.44 176.44 2w4p h GLU 66 N 0.00 0.28 0.00 1.13 5.08 -0.37 -3.43 114.58 117.27 2w4p h GLU 66 Ca 0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2w4p h GLU 66 Cb 0.63 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2w4p h GLU 66 CO 0.00 1.16 -1.16 0.25 -1.00 0.00 0.00 179.01 178.26 2w4p n THR 67 N -3.48 0.09 0.00 1.13 -2.24 -0.92 -4.79 114.28 104.07 2w4p n THR 67 Ca -0.17 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2w4p n THR 67 Cb 1.05 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2w4p n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2w4p n ARG 68 N -1.84 0.00 0.00 -0.78 1.74 0.07 -4.75 116.66 111.10 2w4p n ARG 68 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2w4p n ARG 68 Cb 0.32 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 2w4p n ARG 68 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w4p n GLY 69 N 3.34 1.00 3.74 -0.13 0.00 -0.42 -4.70 105.19 108.02 2w4p n GLY 69 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2w4p n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w4p s SER 70 N -4.00 4.62 0.25 1.61 1.04 -1.26 -4.92 113.70 111.04 2w4p s SER 70 Ca 0.00 2.18 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 2w4p s SER 70 Cb 0.00 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 64.02 2w4p s SER 70 CO 0.00 -1.96 1.70 -0.65 0.98 0.00 0.00 173.24 173.31 2w4p h PRO 71 N -0.14 0.34 -0.00 4.02 0.11 -1.84 -1.63 132.00 132.85 2w4p h PRO 71 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2w4p h PRO 71 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2w4p h PRO 71 CO 0.52 0.22 -0.14 1.63 -0.21 0.00 0.00 178.00 180.02 2w4p n LYS 72 N -5.09 0.06 -2.55 1.05 5.02 -1.26 -4.85 118.16 110.55 2w4p n LYS 72 Ca 0.15 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 2w4p n LYS 72 Cb 0.45 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 2w4p n LYS 72 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2w4p s SER 73 N -2.95 6.50 -0.03 4.39 1.04 -0.61 -5.00 113.70 117.03 2w4p s SER 73 Ca 0.15 1.97 0.04 0.00 0.48 0.00 0.00 55.95 58.59 2w4p s SER 73 Cb 0.19 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 2w4p s SER 73 CO 0.57 -0.67 -0.16 -1.38 0.98 0.00 0.00 173.24 172.58 2w4p s HIS 74 N -1.87 1.60 -0.20 5.02 -3.43 -1.06 -4.83 115.29 110.53 2w4p s HIS 74 Ca 0.64 -0.41 -0.07 0.00 -0.80 0.00 0.00 55.06 54.42 2w4p s HIS 74 Cb -0.18 -1.07 -0.04 0.00 -1.43 0.00 0.00 32.58 29.86 2w4p s HIS 74 CO 0.23 -0.12 0.06 0.42 -2.00 0.00 0.00 174.74 173.32 2w4p s ILE 75 N -0.07 4.56 -0.12 -5.38 1.01 -1.26 -0.89 121.20 119.05 2w4p s ILE 75 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 2w4p s ILE 75 Cb -0.10 -3.07 -0.26 0.00 0.01 0.00 0.00 42.46 39.03 2w4p s ILE 75 CO 0.01 0.42 0.62 0.44 0.00 0.00 0.00 174.94 176.44 2w4p h ASP 76 N 7.16 0.25 -4.20 3.58 3.45 -0.15 -3.48 116.42 123.03 2w4p h ASP 76 Ca -0.36 -0.85 -0.06 0.00 0.43 0.00 0.00 57.03 56.19 2w4p h ASP 76 Cb 1.17 -0.08 -0.21 0.00 -0.56 0.00 0.00 39.33 39.65 2w4p h ASP 76 CO 0.65 1.42 0.06 -0.75 -1.57 0.00 0.00 179.24 179.05 2w4p s LYS 77 N -2.39 0.81 -0.23 3.56 2.47 -1.05 -5.01 119.74 117.90 2w4p s LYS 77 Ca -0.20 0.74 -0.03 0.00 -1.56 0.00 0.00 55.97 54.92 2w4p s LYS 77 Cb 0.02 0.39 0.01 0.00 -1.46 0.00 0.00 37.83 36.79 2w4p s LYS 77 CO 0.73 -0.14 -0.06 0.00 0.16 0.00 0.00 175.35 176.05 2w4p s ALA 78 N -0.00 2.74 -0.14 3.13 0.00 -1.26 -0.74 121.76 125.49 2w4p s ALA 78 Ca -0.03 -1.27 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 2w4p s ALA 78 Cb -0.04 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2w4p s ALA 78 CO 0.03 -0.55 0.47 -0.80 0.00 0.00 0.00 175.76 174.91 2w4p s ASN 79 N 1.42 6.63 -0.08 0.00 0.01 0.09 -4.96 114.94 118.06 2w4p s ASN 79 Ca 0.04 0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 2w4p s ASN 79 Cb -0.15 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 2w4p s ASN 79 CO -0.04 -0.04 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.01 2w4p s PHE 80 N 0.89 2.77 0.30 2.20 0.08 -1.26 -1.57 117.98 121.38 2w4p s PHE 80 Ca 0.25 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 2w4p s PHE 80 Cb -0.15 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2w4p s PHE 80 CO 0.10 0.07 0.51 0.54 -0.10 0.00 0.00 175.22 176.34 2w4p s ASN 81 N -0.38 0.29 -1.48 1.36 4.22 -0.55 -4.93 114.94 113.47 2w4p s ASN 81 Ca 0.04 -1.17 -0.06 0.00 -2.14 0.00 0.00 52.86 49.53 2w4p s ASN 81 Cb -0.12 0.64 0.02 0.00 1.28 0.00 0.00 41.25 43.08 2w4p s ASN 81 CO 0.02 -1.26 0.63 0.59 -2.04 0.00 0.00 177.10 175.04 2w4p n ASN 82 N -0.88 -5.57 -4.65 3.54 3.02 -1.26 -0.71 115.26 108.75 2w4p n ASN 82 Ca -0.01 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.77 2w4p n ASN 82 Cb 0.62 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 2w4p n ASN 82 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2w4p s GLU 83 N -5.84 4.07 -0.02 3.52 2.12 -1.26 -4.40 118.70 116.89 2w4p s GLU 83 Ca 0.36 2.27 -0.10 0.00 0.36 0.00 0.00 54.97 57.86 2w4p s GLU 83 Cb -0.17 -4.07 0.01 0.00 0.26 0.00 0.00 34.13 30.16 2w4p s GLU 83 CO 0.44 -1.00 0.20 -1.59 -0.54 0.00 0.00 175.26 172.77 2w4p s LYS 84 N 4.38 0.51 0.27 4.30 -2.85 -0.31 -5.00 119.74 121.04 2w4p s LYS 84 Ca 0.80 -0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 55.25 2w4p s LYS 84 Cb -0.36 0.22 -0.09 0.00 -2.06 0.00 0.00 37.83 35.54 2w4p s LYS 84 CO 0.34 -0.12 1.15 0.08 0.10 0.00 0.00 175.35 176.89 2w4p s VAL 85 N -1.14 3.38 0.17 1.79 1.01 -1.26 -1.09 120.40 123.27 2w4p s VAL 85 Ca -0.12 1.35 0.10 0.00 0.00 0.00 0.00 61.98 63.31 2w4p s VAL 85 Cb -0.06 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2w4p s VAL 85 CO 0.02 0.31 -0.23 0.27 0.00 0.00 0.00 175.10 175.47 2w4p s ILE 86 N -0.98 2.17 0.12 2.22 -4.36 -0.36 -4.89 121.20 115.13 2w4p s ILE 86 Ca 0.46 -1.94 -0.13 0.00 -0.26 0.00 0.00 60.65 58.79 2w4p s ILE 86 Cb -0.33 -2.00 -0.08 0.00 1.25 0.00 0.00 42.46 41.30 2w4p s ILE 86 CO 0.42 -0.14 1.43 0.25 0.24 0.00 0.00 174.94 177.14 2w4p h LEU 87 N 3.35 0.91 -7.49 0.37 5.85 -1.97 -3.40 115.31 112.94 2w4p h LEU 87 Ca -0.46 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 57.75 2w4p h LEU 87 Cb 1.20 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 2w4p h LEU 87 CO 0.47 1.23 0.10 -1.59 -0.34 0.00 0.00 178.44 178.31 2w4p s LYS 88 N -4.27 1.37 0.47 1.25 -2.85 -1.26 -5.00 119.74 109.45 2w4p s LYS 88 Ca -0.11 -0.75 -0.24 0.00 -1.00 0.00 0.00 55.97 53.87 2w4p s LYS 88 Cb 0.10 0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 36.35 2w4p s LYS 88 CO 0.87 -0.59 1.33 -0.51 0.10 0.00 0.00 175.35 176.55 2w4p s LEU 89 N -2.84 4.04 0.01 2.77 1.43 -1.26 -4.91 118.68 117.93 2w4p s LEU 89 Ca 0.06 2.71 0.23 0.00 -1.03 0.00 0.00 54.13 56.10 2w4p s LEU 89 Cb -0.01 -4.09 0.16 0.00 0.03 0.00 0.00 46.19 42.28 2w4p s LEU 89 CO -0.06 -1.19 1.16 0.47 0.23 0.00 0.00 176.35 176.96 2w4p n ASP 90 N -0.43 0.68 -4.21 2.29 8.00 -1.26 -4.94 116.55 116.68 2w4p n ASP 90 Ca 0.07 -0.47 -0.20 0.00 0.71 0.00 0.00 54.79 54.90 2w4p n ASP 90 Cb 0.44 0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 42.04 2w4p n ASP 90 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2w4p s TYR 91 N -3.05 1.41 -0.19 1.24 1.51 -1.26 -5.05 117.35 111.96 2w4p s TYR 91 Ca 0.08 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 2w4p s TYR 91 Cb 0.16 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2w4p s TYR 91 CO 0.78 0.10 0.61 -1.13 -1.11 0.00 0.00 175.55 174.80 2w4p n SER 92 N 1.27 1.25 -1.26 2.29 3.41 -1.26 -4.88 113.62 114.43 2w4p n SER 92 Ca -0.20 -1.17 -0.02 0.00 -0.26 0.00 0.00 58.87 57.22 2w4p n SER 92 Cb 0.54 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2w4p n SER 92 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2w4p n ASP 93 N 0.04 -0.28 -3.77 4.04 2.03 -1.26 -5.06 116.55 112.28 2w4p n ASP 93 Ca 0.01 -1.24 -0.30 0.00 0.52 0.00 0.00 54.79 53.78 2w4p n ASP 93 Cb 0.07 0.49 -0.15 0.00 -0.72 0.00 0.00 41.12 40.80 2w4p n ASP 93 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2w4p s PHE 94 N -6.96 1.80 0.09 -0.67 2.19 -1.26 -1.89 117.98 111.28 2w4p s PHE 94 Ca 0.03 -1.68 0.02 0.00 0.33 0.00 0.00 56.93 55.64 2w4p s PHE 94 Cb -0.01 -1.66 -0.04 0.00 -1.31 0.00 0.00 43.02 40.00 2w4p s PHE 94 CO 0.02 -0.83 0.14 -0.65 1.83 0.00 0.00 175.22 175.73 2w4p s GLN 95 N 1.59 3.10 -0.38 10.12 -0.21 -1.02 -4.94 119.66 127.93 2w4p s GLN 95 Ca 0.06 -0.62 -0.18 0.00 0.02 0.00 0.00 55.36 54.64 2w4p s GLN 95 Cb -0.17 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.00 2w4p s GLN 95 CO -0.19 0.57 0.51 0.42 -2.12 0.00 0.00 175.29 174.48 2w4p s ILE 96 N -1.49 5.00 -0.74 1.08 1.01 -1.26 -1.75 121.20 123.05 2w4p s ILE 96 Ca 0.32 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.21 2w4p s ILE 96 Cb -0.12 -4.01 0.11 0.00 0.01 0.00 0.00 42.46 38.45 2w4p s ILE 96 CO 0.24 -0.31 0.90 1.33 0.00 0.00 0.00 174.94 177.11 2w4p n VAL 97 N 5.49 0.42 0.00 2.92 0.24 -0.34 -4.98 118.33 122.08 2w4p n VAL 97 Ca -0.05 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2w4p n VAL 97 Cb 0.48 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2w4p n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30