#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvk s HIS 2 N 0.00 1.57 -0.20 1.61 4.02 -1.26 -5.09 115.29 115.93 1wvk s HIS 2 Ca 0.00 -0.88 -0.16 0.00 1.02 0.00 0.00 55.06 55.05 1wvk s HIS 2 Cb 0.00 -1.87 -0.08 0.00 -1.02 0.00 0.00 32.58 29.60 1wvk s HIS 2 CO 0.00 -0.45 -0.27 0.72 1.02 0.00 0.00 174.74 175.76 1wvk n HIS 3 N -1.75 0.24 -3.84 1.40 8.25 -1.26 -4.95 115.22 113.32 1wvk n HIS 3 Ca -0.04 0.11 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1wvk n HIS 3 Cb 0.65 -0.74 -0.17 0.00 1.12 0.00 0.00 29.99 30.85 1wvk n HIS 3 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1wvk s HIS 4 N -2.64 1.12 -0.59 4.41 5.65 -1.26 -5.09 115.29 116.89 1wvk s HIS 4 Ca -0.29 -0.53 -0.22 0.00 0.25 0.00 0.00 55.06 54.26 1wvk s HIS 4 Cb 0.07 -1.04 0.06 0.00 -1.18 0.00 0.00 32.58 30.49 1wvk s HIS 4 CO 0.43 -0.45 0.88 -1.58 -0.65 0.00 0.00 174.74 173.37 1wvk s HIS 5 N 1.83 2.80 0.58 3.88 5.65 -1.26 -5.04 115.29 123.73 1wvk s HIS 5 Ca 0.04 -0.38 -0.13 0.00 0.25 0.00 0.00 55.06 54.84 1wvk s HIS 5 Cb -0.13 -4.07 -0.05 0.00 -1.18 0.00 0.00 32.58 27.15 1wvk s HIS 5 CO -0.07 -1.42 1.00 -3.38 -0.65 0.00 0.00 174.74 170.23 1wvk s HIS 6 N 3.70 3.57 0.03 3.88 0.00 -1.26 -5.09 115.29 120.12 1wvk s HIS 6 Ca 0.23 1.33 -0.08 0.00 -3.00 0.00 0.00 55.06 53.54 1wvk s HIS 6 Cb -0.16 -2.73 -0.00 0.00 -4.00 0.00 0.00 32.58 25.69 1wvk s HIS 6 CO 0.13 -0.57 0.16 -3.38 -1.00 0.00 0.00 174.74 170.08 1wvk s HIS 7 N -2.98 0.09 0.00 0.38 0.00 -1.26 -4.96 115.29 106.56 1wvk s HIS 7 Ca 0.56 -0.31 0.00 0.00 -3.00 0.00 0.00 55.06 52.30 1wvk s HIS 7 Cb -0.11 -0.06 0.00 0.00 -4.00 0.00 0.00 32.58 28.41 1wvk s HIS 7 CO 0.46 -0.39 0.00 -0.11 -1.00 0.00 0.00 174.74 173.70 1wvk n LEU 8 N 0.83 0.00 -4.49 5.38 -0.00 -1.26 -4.74 117.00 112.73 1wvk n LEU 8 Ca -0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.39 1wvk n LEU 8 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.97 1wvk n LEU 8 CO 0.22 0.00 0.89 -0.70 -0.00 0.00 0.00 177.39 177.80 1wvk s GLU 9 N 0.00 3.14 0.00 1.96 2.12 -1.26 -4.69 118.70 119.97 1wvk s GLU 9 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1wvk s GLU 9 Cb 0.00 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.18 1wvk s GLU 9 CO 0.00 -1.91 0.00 0.41 -0.54 0.00 0.00 175.26 173.22 1wvk n GLY 10 N 5.34 1.53 0.00 -1.50 0.00 -1.26 -4.96 105.19 104.34 1wvk n GLY 10 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1wvk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvk n GLY 11 N 2.70 5.65 0.00 -0.02 0.00 -1.26 -4.61 105.19 107.64 1wvk n GLY 11 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1wvk n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvk n GLY 12 N 0.41 -0.01 0.61 -0.02 0.00 -1.26 -5.14 105.19 99.78 1wvk n GLY 12 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wvk n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wvk n ASN 13 N 0.00 -3.46 0.00 1.61 5.03 -1.26 -5.11 115.26 112.07 1wvk n ASN 13 Ca 0.00 0.66 0.00 0.00 0.87 0.00 0.00 54.58 56.11 1wvk n ASN 13 Cb 0.00 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 37.44 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wvk n ALA 14 N -1.66 0.00 -2.64 5.41 0.00 -1.26 -5.08 120.51 115.28 1wvk n ALA 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1wvk n ALA 14 Cb 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.45 1wvk n ALA 14 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wvk s GLN 15 N -0.56 2.74 0.00 0.00 -2.07 -1.26 -4.64 119.66 113.87 1wvk s GLN 15 Ca 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1wvk s GLN 15 Cb 0.00 -2.45 0.00 0.00 -1.09 0.00 0.00 33.01 29.47 1wvk s GLN 15 CO 0.00 0.52 0.00 1.63 -1.32 0.00 0.00 175.29 176.12 1wvk n LYS 16 N 2.63 0.00 -0.08 9.60 4.76 -1.26 -4.81 118.16 128.99 1wvk n LYS 16 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1wvk n LYS 16 Cb 0.52 -2.95 0.00 0.00 -1.84 0.00 0.00 35.03 30.77 1wvk n LYS 16 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1wvk n SER 17 N 0.00 3.06 -0.14 4.39 3.41 -1.26 -4.23 113.62 118.85 1wvk n SER 17 Ca 0.00 -1.87 -0.10 0.00 -0.26 0.00 0.00 58.87 56.64 1wvk n SER 17 Cb 0.00 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wvk h ALA 18 N 1.88 0.55 0.00 7.33 0.00 -1.93 -2.00 119.26 125.08 1wvk h ALA 18 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wvk h ALA 18 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1wvk h ALA 18 CO 0.00 0.32 -1.33 0.00 0.00 0.00 0.00 179.25 178.24 1wvk n MET 19 N -4.45 0.59 0.05 0.00 0.00 -1.26 -4.16 117.12 107.89 1wvk n MET 19 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 1wvk n MET 19 Cb 0.28 -1.70 0.18 0.00 0.00 0.00 0.00 33.22 31.97 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wvk h ALA 20 N 2.06 1.01 -0.05 3.17 0.00 -1.78 -2.71 119.26 120.96 1wvk h ALA 20 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1wvk h ALA 20 Cb 0.97 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wvk h ALA 20 CO 0.00 0.61 0.04 0.07 0.00 0.00 0.00 179.25 179.97 1wvk h ARG 21 N 0.31 0.00 0.00 0.00 0.11 -1.53 -0.31 114.38 112.96 1wvk h ARG 21 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1wvk h ARG 21 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 1wvk h ARG 21 CO 0.07 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.14 1wvk n ALA 22 N -2.50 2.49 -0.53 0.08 0.00 -1.02 -1.67 120.51 117.36 1wvk n ALA 22 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wvk n ALA 22 Cb 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1wvk n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wvk n LYS 23 N -0.67 -0.28 0.00 0.00 4.76 -0.19 -4.94 118.16 116.84 1wvk n LYS 23 Ca 0.08 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1wvk n LYS 23 Cb 0.03 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 1wvk n LYS 23 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wvk n ASN 24 N -0.02 0.00 -3.73 4.39 5.03 -0.67 -4.66 115.26 115.60 1wvk n ASN 24 Ca 0.00 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.30 1wvk n ASN 24 Cb 0.13 -0.19 -0.15 0.00 -1.02 0.00 0.00 39.78 38.55 1wvk n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wvk s LEU 25 N -4.34 0.62 -0.01 3.41 1.43 -0.92 -4.97 118.68 113.90 1wvk s LEU 25 Ca 0.00 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1wvk s LEU 25 Cb 0.00 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.43 1wvk s LEU 25 CO 0.00 -0.17 -0.01 -1.83 0.23 0.00 0.00 176.35 174.57 1wvk s GLU 26 N 1.43 0.21 -0.27 1.70 -1.05 -1.26 -4.72 118.70 114.73 1wvk s GLU 26 Ca -0.06 -0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.76 1wvk s GLU 26 Cb -0.12 -0.29 0.08 0.00 -0.44 0.00 0.00 34.13 33.36 1wvk s GLU 26 CO -0.05 -0.03 0.02 0.21 0.95 0.00 0.00 175.26 176.36 1wvk s LYS 27 N 0.39 1.23 0.09 -4.83 2.20 -1.26 -4.92 119.74 112.63 1wvk s LYS 27 Ca -0.04 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1wvk s LYS 27 Cb -0.06 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1wvk s LYS 27 CO -0.01 -0.78 0.00 0.00 -0.36 0.00 0.00 175.35 174.20 1wvk n ALA 28 N 4.69 3.00 -2.40 3.13 0.00 -1.26 -5.11 120.51 122.56 1wvk n ALA 28 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1wvk n ALA 28 Cb 0.43 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 1wvk n ALA 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wvk s LYS 29 N -2.00 1.53 0.32 0.00 3.01 -1.26 -5.05 119.74 116.28 1wvk s LYS 29 Ca 0.00 -1.81 0.14 0.00 -1.01 0.00 0.00 55.97 53.29 1wvk s LYS 29 Cb 0.00 -0.78 0.48 0.00 -1.01 0.00 0.00 37.83 36.52 1wvk s LYS 29 CO 0.00 -0.14 1.65 0.00 0.51 0.00 0.00 175.35 177.37 1wvk h ALA 30 N 2.26 0.95 0.00 5.17 0.00 -1.99 -3.45 119.26 122.21 1wvk h ALA 30 Ca -0.40 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1wvk h ALA 30 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wvk h ALA 30 CO 0.67 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.56 1wvk n ALA 31 N -2.35 0.62 0.00 0.00 0.00 -1.26 -5.06 120.51 112.46 1wvk n ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wvk n ALA 31 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1wvk n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wvk n GLY 32 N -0.88 2.00 3.78 0.00 0.00 -1.26 -4.78 105.19 104.05 1wvk n GLY 32 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1wvk n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvk s LYS 33 N 0.00 1.51 0.00 1.61 0.00 -1.26 -5.15 119.74 116.46 1wvk s LYS 33 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 55.97 55.16 1wvk s LYS 33 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 37.83 38.36 1wvk s LYS 33 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.35 175.07 1wvk n GLY 34 N -0.45 3.22 7.00 0.59 0.00 -1.26 -5.14 105.19 109.14 1wvk n GLY 34 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1wvk n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wvk n SER 35 N 0.00 -4.76 0.00 1.61 3.41 -1.26 -4.99 113.62 107.63 1wvk n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wvk n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wvk n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wvk n GLN 36 N -1.26 0.00 0.00 4.33 10.64 -1.26 -4.96 117.38 124.87 1wvk n GLN 36 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wvk n GLN 36 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1wvk n GLN 36 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1wvk n LEU 37 N -0.26 0.02 0.24 2.61 -0.00 -1.26 -3.77 117.00 114.57 1wvk n LEU 37 Ca 0.00 -0.01 0.13 0.00 -0.00 0.00 0.00 56.01 56.13 1wvk n LEU 37 Cb 0.00 -0.01 0.31 0.00 -0.00 0.00 0.00 43.42 43.72 1wvk n LEU 37 CO 0.00 0.01 0.86 1.05 -0.00 0.00 0.00 177.39 179.30 1wvk h GLU 38 N 0.00 0.00 0.00 1.47 4.11 -1.96 -3.47 114.58 114.73 1wvk h GLU 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wvk h GLU 38 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wvk h GLU 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1wvk n ALA 39 N -2.10 0.00 -3.64 1.06 0.00 -1.25 -4.65 120.51 109.94 1wvk n ALA 39 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1wvk n ALA 39 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1wvk n ALA 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wvk s ASN 40 N -4.00 -0.51 -0.07 0.00 2.47 -1.26 -5.05 114.94 106.52 1wvk s ASN 40 Ca 0.00 0.88 0.08 0.00 0.42 0.00 0.00 52.86 54.24 1wvk s ASN 40 Cb 0.00 1.07 -0.24 0.00 -1.45 0.00 0.00 41.25 40.63 1wvk s ASN 40 CO 0.00 -0.14 0.55 0.29 -3.72 0.00 0.00 177.10 174.08 1wvk n LYS 41 N 3.10 0.67 -2.10 0.43 4.76 -1.26 -5.07 118.16 118.68 1wvk n LYS 41 Ca -0.16 0.27 -0.03 0.00 -2.87 0.00 0.00 58.31 55.53 1wvk n LYS 41 Cb 0.57 -1.76 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 1wvk n LYS 41 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wvk n LYS 42 N -3.14 -2.96 -0.98 1.97 5.02 -1.26 -4.44 118.16 112.38 1wvk n LYS 42 Ca -0.22 2.40 0.00 0.00 -2.02 0.00 0.00 58.31 58.47 1wvk n LYS 42 Cb 1.06 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk n ALA 43 N 1.08 0.00 -0.93 7.82 0.00 -1.26 -3.08 120.51 124.13 1wvk n ALA 43 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1wvk n ALA 43 Cb 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1wvk n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1wvk n MET 44 N -0.90 -0.80 0.00 0.00 1.56 -1.26 -4.77 117.12 110.95 1wvk n MET 44 Ca 0.00 0.20 0.00 0.00 -0.27 0.00 0.00 57.70 57.63 1wvk n MET 44 Cb 0.25 -3.94 0.00 0.00 2.15 0.00 0.00 33.22 31.68 1wvk n MET 44 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1wvk n SER 45 N -0.40 0.00 -4.39 6.12 2.88 -1.18 -4.51 113.62 112.14 1wvk n SER 45 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1wvk n SER 45 Cb 0.20 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wvk s ILE 46 N 0.00 1.91 -0.09 2.46 1.01 -1.19 -4.98 121.20 120.32 1wvk s ILE 46 Ca 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 60.65 58.45 1wvk s ILE 46 Cb 0.00 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 1wvk s ILE 46 CO 0.00 -0.49 -0.24 -1.58 0.00 0.00 0.00 174.94 172.63 1wvk s GLN 47 N -3.63 2.92 0.21 2.79 0.74 -1.25 -2.59 119.66 118.85 1wvk s GLN 47 Ca 0.26 -0.88 -0.30 0.00 0.05 0.00 0.00 55.36 54.49 1wvk s GLN 47 Cb -0.01 -2.26 -0.09 0.00 1.10 0.00 0.00 33.01 31.75 1wvk s GLN 47 CO 0.10 0.22 1.33 0.00 -0.55 0.00 0.00 175.29 176.40 1wvk h LYS 49 N 5.31 0.00 0.00 0.00 3.11 -0.38 -2.74 116.57 121.87 1wvk h LYS 49 Ca -0.45 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.38 1wvk h LYS 49 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1wvk h LYS 49 CO 0.77 0.13 -0.06 -0.39 -2.81 0.00 0.00 179.45 177.09 1wvk h VAL 50 N 0.00 0.59 0.00 2.00 -1.51 -1.88 -3.44 116.25 112.00 1wvk h VAL 50 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1wvk h VAL 50 Cb 0.23 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1wvk h VAL 50 CO 0.02 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 1wvk n MET 52 N -1.12 0.17 -0.33 0.00 0.00 -1.13 -4.90 117.12 109.79 1wvk n MET 52 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 57.70 57.14 1wvk n MET 52 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 33.22 33.66 1wvk n MET 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1wvk n GLN 53 N -0.19 1.14 -4.25 3.17 1.13 -1.25 -4.65 117.38 112.47 1wvk n GLN 53 Ca -0.14 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.78 1wvk n GLN 53 Cb 0.54 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.79 1wvk n GLN 53 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1wvk s THR 54 N 0.47 0.47 0.07 5.09 -1.32 -1.26 0.16 115.64 119.31 1wvk s THR 54 Ca 0.00 -1.98 0.02 0.00 -1.21 0.00 0.00 61.69 58.52 1wvk s THR 54 Cb 0.00 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1wvk s THR 54 CO 0.00 -0.23 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.74 1wvk s PHE 55 N -3.81 0.82 0.04 9.09 0.08 -1.07 -4.75 117.98 118.38 1wvk s PHE 55 Ca 0.31 -0.64 -0.26 0.00 0.12 0.00 0.00 56.93 56.47 1wvk s PHE 55 Cb 0.07 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.99 1wvk s PHE 55 CO 0.08 -0.08 0.81 -1.50 -0.10 0.00 0.00 175.22 174.43 1wvk s ILE 56 N -2.16 4.74 -1.01 0.64 1.10 -1.26 -3.17 121.20 120.08 1wvk s ILE 56 Ca -0.01 1.71 -0.21 0.00 -0.51 0.00 0.00 60.65 61.63 1wvk s ILE 56 Cb -0.05 -4.16 -0.10 0.00 0.15 0.00 0.00 42.46 38.30 1wvk s ILE 56 CO -0.01 0.33 1.93 0.00 -2.11 0.00 0.00 174.94 175.08 1wvk n THR 58 N 6.62 0.00 -3.53 0.00 -2.24 -1.26 -4.85 114.28 109.03 1wvk n THR 58 Ca 0.48 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 62.06 1wvk n THR 58 Cb 0.43 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1wvk n THR 58 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wvk s THR 59 N -2.38 0.00 0.24 4.28 2.01 -1.26 -5.15 115.64 113.39 1wvk s THR 59 Ca 0.34 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1wvk s THR 59 Cb 0.21 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 1wvk s THR 59 CO 0.44 0.00 0.95 -0.55 -0.69 0.00 0.00 174.62 174.77 1wvk s SER 60 N -1.15 7.63 0.46 3.53 0.15 -1.26 -4.91 113.70 118.15 1wvk s SER 60 Ca -0.09 1.96 0.21 0.00 0.70 0.00 0.00 55.95 58.73 1wvk s SER 60 Cb -0.00 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 62.90 1wvk s SER 60 CO 0.08 0.14 1.91 -0.08 1.20 0.00 0.00 173.24 176.50 1wvk h GLU 61 N 4.15 0.26 -0.16 5.44 4.81 -1.98 -0.99 114.58 126.11 1wvk h GLU 61 Ca -0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1wvk h GLU 61 Cb 1.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1wvk h GLU 61 CO 0.68 0.17 -0.01 0.28 -0.73 0.00 0.00 179.01 179.40 1wvk h VAL 62 N 0.26 1.11 0.15 0.32 2.07 -1.98 0.60 116.25 118.78 1wvk h VAL 62 Ca 0.38 -0.42 -0.28 0.00 0.82 0.00 0.00 66.70 67.20 1wvk h VAL 62 Cb 1.10 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1wvk h VAL 62 CO -0.09 0.14 -1.28 0.50 0.02 0.00 0.00 177.57 176.86 1wvk h LYS 63 N 0.22 0.33 0.00 1.57 3.11 -1.57 -2.90 116.57 117.33 1wvk h LYS 63 Ca 0.05 -0.55 -0.06 0.00 -2.81 0.00 0.00 60.65 57.29 1wvk h LYS 63 Cb 0.17 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1wvk h LYS 63 CO 0.00 1.26 -0.28 0.00 -2.81 0.00 0.00 179.45 177.62 1wvk h ARG 65 N 0.00 -0.62 -0.30 0.00 2.43 0.36 0.19 114.38 116.44 1wvk h ARG 65 Ca -0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1wvk h ARG 65 Cb 0.57 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1wvk h ARG 65 CO 0.04 -0.40 -0.01 1.05 -1.51 0.00 0.00 179.97 179.14 1wvk h GLU 66 N -0.67 0.46 -0.24 0.20 4.11 -1.44 0.11 114.58 117.10 1wvk h GLU 66 Ca -0.07 -0.09 -0.16 0.00 0.07 0.00 0.00 59.36 59.11 1wvk h GLU 66 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1wvk h GLU 66 CO 0.11 0.49 -0.50 1.25 0.07 0.00 0.00 179.01 180.43 1wvk h HIS 67 N 0.44 0.83 -0.05 2.06 2.76 -1.35 -2.56 115.15 117.27 1wvk h HIS 67 Ca 0.10 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1wvk h HIS 67 Cb 0.30 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 1wvk h HIS 67 CO 0.01 1.03 -0.08 0.00 -1.30 0.00 0.00 177.93 177.60 1wvk h ALA 68 N 0.91 0.08 0.00 5.26 0.00 0.45 -1.24 119.26 124.72 1wvk h ALA 68 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wvk h ALA 68 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wvk h ALA 68 CO 0.10 -0.09 0.00 1.05 0.00 0.00 0.00 179.25 180.32 1wvk h GLU 69 N -0.33 0.00 0.00 0.00 4.11 -0.87 -0.14 114.58 117.35 1wvk h GLU 69 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1wvk h GLU 69 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wvk h GLU 69 CO 0.02 0.00 -1.24 0.00 0.07 0.00 0.00 179.01 177.85 1wvk n ALA 70 N -1.97 2.88 -1.10 1.06 0.00 -0.97 -4.83 120.51 115.58 1wvk n ALA 70 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1wvk n ALA 70 Cb 0.31 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1wvk n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wvk n LYS 71 N -2.34 0.00 -4.03 0.00 4.76 -0.47 -5.05 118.16 111.03 1wvk n LYS 71 Ca -0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 1wvk n LYS 71 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 1wvk n LYS 71 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wvk n HIS 72 N -0.94 -1.53 0.07 2.13 1.44 -0.13 -4.95 115.22 111.32 1wvk n HIS 72 Ca 0.00 0.49 -0.06 0.00 -2.01 0.00 0.00 57.72 56.14 1wvk n HIS 72 Cb 0.00 -3.21 -0.03 0.00 0.12 0.00 0.00 29.99 26.87 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1wvk h PRO 73 N -2.03 -0.26 -1.03 -1.40 0.11 -1.90 -3.47 132.00 122.03 1wvk h PRO 73 Ca -0.67 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.51 1wvk h PRO 73 Cb 1.39 0.06 -0.21 0.00 0.11 0.00 0.00 31.00 32.34 1wvk h PRO 73 CO 0.60 -0.08 -0.33 -1.59 -0.21 0.00 0.00 178.00 176.38 1wvk s LYS 74 N -2.59 0.56 -0.39 1.05 -2.85 -1.26 -5.12 119.74 109.14 1wvk s LYS 74 Ca -0.06 0.76 -0.25 0.00 -1.00 0.00 0.00 55.97 55.43 1wvk s LYS 74 Cb 0.00 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 1wvk s LYS 74 CO 0.19 -0.84 0.87 0.00 0.10 0.00 0.00 175.35 175.67 1wvk s ALA 75 N 2.83 3.37 0.00 0.59 0.00 -1.26 -4.91 121.76 122.39 1wvk s ALA 75 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1wvk s ALA 75 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1wvk s ALA 75 CO -0.24 -1.68 0.00 -3.47 0.00 0.00 0.00 175.76 170.37 1wvk n ASP 76 N 6.73 0.00 0.23 0.00 2.03 -1.26 -3.97 116.55 120.31 1wvk n ASP 76 Ca 0.05 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.51 1wvk n ASP 76 Cb 0.48 -0.04 0.49 0.00 -0.72 0.00 0.00 41.12 41.33 1wvk n ASP 76 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wvk h VAL 77 N 0.00 0.00 -0.47 5.18 -1.51 -2.02 -1.39 116.25 116.04 1wvk h VAL 77 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1wvk h VAL 77 Cb 0.00 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1wvk h VAL 77 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 177.67 1wvk n VAL 78 N -2.92 1.90 0.26 7.19 0.24 -1.26 -4.41 118.33 119.33 1wvk n VAL 78 Ca 0.02 -1.38 0.13 0.00 -2.04 0.00 0.00 64.34 61.08 1wvk n VAL 78 Cb 0.37 0.05 0.66 0.00 -1.47 0.00 0.00 33.84 33.45 1wvk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvk h ALA 79 N 3.01 1.00 0.00 2.33 0.00 -1.37 0.77 119.26 124.99 1wvk h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 79 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wvk h ALA 79 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1wvk s PHE 81 N -3.54 -1.05 -2.00 0.00 5.36 0.25 0.39 117.98 117.39 1wvk s PHE 81 Ca 0.01 0.12 0.04 0.00 -0.96 0.00 0.00 56.93 56.15 1wvk s PHE 81 Cb 0.09 0.19 0.23 0.00 -0.34 0.00 0.00 43.02 43.19 1wvk s PHE 81 CO 0.41 -0.72 0.59 -2.30 -1.46 0.00 0.00 175.22 171.74 1wvk n PRO 82 N 3.97 0.20 0.00 10.12 -0.02 -1.11 -1.49 135.00 146.66 1wvk n PRO 82 Ca 0.09 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.71 1wvk n PRO 82 Cb 0.60 -1.30 0.55 0.00 -0.02 0.00 0.00 33.50 33.33 1wvk n PRO 82 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1wvk n HIS 83 N -0.80 0.00 -0.06 6.00 8.25 -1.26 -3.73 115.22 123.61 1wvk n HIS 83 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1wvk n HIS 83 Cb 0.01 -0.02 0.15 0.00 1.12 0.00 0.00 29.99 31.25 1wvk n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wvk n LEU 84 N -0.06 2.86 -4.75 2.41 4.77 -0.56 -4.21 117.00 117.46 1wvk n LEU 84 Ca 0.19 -1.81 -0.33 0.00 -0.03 0.00 0.00 56.01 54.03 1wvk n LEU 84 Cb 0.33 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1wvk n LEU 84 CO 0.18 0.69 0.74 -0.54 -1.33 0.00 0.00 177.39 177.13 1wvk s LYS 85 N -1.01 2.46 0.00 3.23 -0.14 -1.24 -5.04 119.74 117.99 1wvk s LYS 85 Ca 0.24 1.44 0.20 0.00 -1.36 0.00 0.00 55.97 56.49 1wvk s LYS 85 Cb 0.13 -1.90 0.16 0.00 -1.68 0.00 0.00 37.83 34.53 1wvk s LYS 85 CO 0.17 -1.53 1.13 1.17 -0.76 0.00 0.00 175.35 175.53