#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 2.20 0.00 1.61 -0.00 -1.26 -4.41 115.29 113.43 1wvk s HIS 2 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 55.06 54.87 1wvk s HIS 2 Cb 0.00 -4.34 0.00 0.00 -0.00 0.00 0.00 32.58 28.24 1wvk s HIS 2 CO 0.00 -1.70 0.84 0.72 -0.00 0.00 0.00 174.74 174.61 1wvk n HIS 3 N 11.71 0.00 -3.81 0.38 8.25 -1.26 -5.03 115.22 125.47 1wvk n HIS 3 Ca 0.41 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.56 1wvk n HIS 3 Cb 0.48 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 1wvk n HIS 3 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wvk s HIS 4 N 0.00 2.25 -0.34 4.41 4.02 -1.26 -5.09 115.29 119.27 1wvk s HIS 4 Ca 0.00 -2.08 -0.26 0.00 1.02 0.00 0.00 55.06 53.73 1wvk s HIS 4 Cb 0.00 -2.04 0.01 0.00 -1.02 0.00 0.00 32.58 29.54 1wvk s HIS 4 CO 0.00 -0.89 0.95 -1.58 1.02 0.00 0.00 174.74 174.23 1wvk s HIS 5 N 1.41 3.12 -0.05 1.40 2.46 -1.26 -4.60 115.29 117.77 1wvk s HIS 5 Ca 0.10 0.91 -0.04 0.00 0.47 0.00 0.00 55.06 56.50 1wvk s HIS 5 Cb -0.18 -3.60 0.01 0.00 -0.13 0.00 0.00 32.58 28.69 1wvk s HIS 5 CO -0.20 -0.77 0.07 1.58 -2.47 0.00 0.00 174.74 172.95 1wvk n HIS 6 N 6.72 -1.47 -0.86 3.88 -0.00 -1.26 -5.00 115.22 117.22 1wvk n HIS 6 Ca 0.08 0.86 0.07 0.00 0.46 0.00 0.00 57.72 59.19 1wvk n HIS 6 Cb 0.48 -2.32 0.09 0.00 -0.12 0.00 0.00 29.99 28.12 1wvk n HIS 6 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1wvk n HIS 7 N 0.56 0.00 -1.67 1.57 -0.00 -1.26 -5.00 115.22 109.41 1wvk n HIS 7 Ca -0.12 -0.78 -0.43 0.00 -0.00 0.00 0.00 57.72 56.39 1wvk n HIS 7 Cb 0.19 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.04 1wvk n HIS 7 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1wvk s LEU 8 N -2.13 3.45 0.38 0.27 2.96 -1.26 -4.33 118.68 118.02 1wvk s LEU 8 Ca 0.21 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1wvk s LEU 8 Cb 0.18 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1wvk s LEU 8 CO 0.02 -1.93 0.00 1.21 -1.32 0.00 0.00 176.35 174.33 1wvk n GLU 9 N 8.71 0.00 0.00 1.98 2.13 -1.26 -5.05 120.64 127.16 1wvk n GLU 9 Ca 0.29 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1wvk n GLU 9 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wvk n GLY 10 N -1.44 -0.14 0.00 8.31 0.00 -1.26 -5.16 105.19 105.49 1wvk n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.52 -0.66 1.44 -0.02 0.00 -1.26 -4.95 105.19 100.26 1wvk n GLY 11 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.18 3.51 -0.02 0.00 -1.26 -4.95 105.19 102.65 1wvk n GLY 12 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1wvk n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvk s ASN 13 N -2.36 4.89 -0.05 1.61 4.22 -1.26 -5.09 114.94 116.91 1wvk s ASN 13 Ca 0.00 -0.11 -0.30 0.00 -2.14 0.00 0.00 52.86 50.32 1wvk s ASN 13 Cb 0.00 -1.80 0.07 0.00 1.28 0.00 0.00 41.25 40.79 1wvk s ASN 13 CO 0.00 0.17 0.65 0.00 -2.04 0.00 0.00 177.10 175.88 1wvk s ALA 14 N 0.38 -1.70 -0.19 3.54 0.00 -1.26 -5.02 121.76 117.52 1wvk s ALA 14 Ca -0.03 1.25 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 1wvk s ALA 14 Cb -0.14 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1wvk s ALA 14 CO 0.03 -0.36 0.17 1.04 0.00 0.00 0.00 175.76 176.63 1wvk n GLN 15 N 0.94 -3.79 -0.73 0.00 6.02 -1.26 -4.21 117.38 114.36 1wvk n GLN 15 Ca -0.19 2.95 0.00 0.00 -0.01 0.00 0.00 57.00 59.74 1wvk n GLN 15 Cb 0.57 -4.61 0.00 0.00 1.02 0.00 0.00 30.24 27.21 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1wvk n LYS 16 N 1.27 -0.20 -0.25 -1.09 5.02 -1.26 -4.57 118.16 117.08 1wvk n LYS 16 Ca -0.28 0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1wvk n LYS 16 Cb 0.44 -3.88 0.09 0.00 -0.02 0.00 0.00 35.03 31.66 1wvk n LYS 16 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wvk n SER 17 N -0.10 2.48 -0.35 4.39 3.41 -1.26 -4.33 113.62 117.87 1wvk n SER 17 Ca 0.00 -2.28 0.10 0.00 -0.26 0.00 0.00 58.87 56.43 1wvk n SER 17 Cb 0.05 -0.56 0.29 0.00 -0.26 0.00 0.00 64.21 63.73 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 2.29 1.62 0.00 7.33 0.00 -1.94 0.49 119.26 129.06 1wvk h ALA 18 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wvk h ALA 18 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wvk h ALA 18 CO 0.17 0.08 -1.21 -1.33 0.00 0.00 0.00 179.25 176.96 1wvk n MET 19 N -4.67 1.30 0.25 0.00 2.81 -1.26 -4.39 117.12 111.17 1wvk n MET 19 Ca 0.21 -0.07 0.14 0.00 -1.81 0.00 0.00 57.70 56.16 1wvk n MET 19 Cb 0.46 -1.27 0.51 0.00 -0.71 0.00 0.00 33.22 32.21 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wvk h ALA 20 N 1.65 0.99 0.00 3.04 0.00 -1.59 -2.62 119.26 120.74 1wvk h ALA 20 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wvk h ALA 20 Cb 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wvk h ALA 20 CO 0.00 0.09 -0.05 0.07 0.00 0.00 0.00 179.25 179.36 1wvk h ARG 21 N 0.00 0.00 -0.02 0.00 0.11 -1.14 -1.52 114.38 111.82 1wvk h ARG 21 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wvk h ARG 21 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1wvk h ARG 21 CO 0.01 0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.13 1wvk n ALA 22 N -2.16 2.63 -0.06 0.08 0.00 -0.99 -1.59 120.51 118.43 1wvk n ALA 22 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 1wvk n ALA 22 Cb 0.22 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.56 1.86 0.00 0.00 4.76 -0.60 -4.52 118.16 119.11 1wvk n LYS 23 Ca 0.20 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.77 1wvk n LYS 23 Cb 0.18 -1.30 0.18 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.50 0.81 -1.39 4.39 3.02 -1.06 -4.73 115.26 113.80 1wvk n ASN 24 Ca -0.20 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1wvk n ASN 24 Cb 0.87 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 1wvk n ASN 24 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wvk n LEU 25 N -1.23 0.00 0.00 3.41 4.77 -0.62 -4.47 117.00 118.86 1wvk n LEU 25 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 1wvk n LEU 25 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1wvk n LEU 25 CO 0.34 0.00 0.08 -1.84 -1.33 0.00 0.00 177.39 174.65 1wvk n GLU 26 N 0.00 0.77 -3.13 3.23 -0.00 -1.26 -4.77 120.64 115.48 1wvk n GLU 26 Ca 0.00 -3.00 -0.45 0.00 -0.00 0.00 0.00 57.16 53.72 1wvk n GLU 26 Cb 0.00 0.27 -0.01 0.00 -0.00 0.00 0.00 31.44 31.71 1wvk n GLU 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wvk s LYS 27 N -4.01 4.03 0.71 3.44 -0.14 -1.26 -4.90 119.74 117.61 1wvk s LYS 27 Ca 0.30 -2.72 -0.15 0.00 -1.36 0.00 0.00 55.97 52.04 1wvk s LYS 27 Cb -0.02 -4.80 0.03 0.00 -1.68 0.00 0.00 37.83 31.36 1wvk s LYS 27 CO 0.19 -1.53 1.16 0.00 -0.76 0.00 0.00 175.35 174.42 1wvk s ALA 28 N 0.50 2.24 -0.98 5.17 0.00 -1.26 -4.96 121.76 122.47 1wvk s ALA 28 Ca 0.35 0.72 0.11 0.00 0.00 0.00 0.00 51.96 53.14 1wvk s ALA 28 Cb -0.06 -3.40 0.29 0.00 0.00 0.00 0.00 23.12 19.94 1wvk s ALA 28 CO -0.05 -1.66 1.22 1.63 0.00 0.00 0.00 175.76 176.91 1wvk n LYS 29 N -2.66 2.67 -1.98 0.00 4.01 -1.26 -5.01 118.16 113.93 1wvk n LYS 29 Ca 0.12 -1.98 -0.42 0.00 -0.51 0.00 0.00 58.31 55.52 1wvk n LYS 29 Cb 0.51 -1.27 -0.03 0.00 -0.51 0.00 0.00 35.03 33.73 1wvk n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wvk s ALA 30 N -1.00 3.72 0.47 7.82 0.00 -1.26 -4.90 121.76 126.61 1wvk s ALA 30 Ca 0.23 1.33 0.19 0.00 0.00 0.00 0.00 51.96 53.70 1wvk s ALA 30 Cb 0.12 -3.60 1.22 0.00 0.00 0.00 0.00 23.12 20.86 1wvk s ALA 30 CO 0.16 -0.75 2.06 0.00 0.00 0.00 0.00 175.76 177.23 1wvk h ALA 31 N 6.33 1.65 0.00 0.00 0.00 -1.99 -3.47 119.26 121.78 1wvk h ALA 31 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wvk h ALA 31 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wvk h ALA 31 CO 0.87 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1wvk n GLY 32 N -1.07 2.02 3.60 0.00 0.00 -1.26 -4.92 105.19 103.56 1wvk n GLY 32 Ca -0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1wvk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvk s LYS 33 N 0.00 3.29 0.00 1.61 3.01 -1.26 -1.42 119.74 124.97 1wvk s LYS 33 Ca 0.00 1.38 0.00 0.00 -1.01 0.00 0.00 55.97 56.34 1wvk s LYS 33 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 37.83 32.61 1wvk s LYS 33 CO 0.00 -1.91 0.00 0.41 0.51 0.00 0.00 175.35 174.36 1wvk n GLY 34 N 5.43 0.17 3.56 -3.33 0.00 -1.26 -4.86 105.19 104.90 1wvk n GLY 34 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1wvk n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wvk s SER 35 N -1.98 6.47 0.47 1.61 0.15 -0.51 -4.53 113.70 115.39 1wvk s SER 35 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wvk s SER 35 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wvk s SER 35 CO 0.00 -0.94 0.00 1.67 1.20 0.00 0.00 173.24 175.17 1wvk n GLN 36 N 6.86 0.00 0.05 5.44 0.00 -1.26 -4.89 117.38 123.59 1wvk n GLN 36 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.88 1wvk n GLN 36 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.58 1wvk n GLN 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1wvk h LEU 37 N 0.00 0.35 0.00 1.69 3.38 -2.01 -3.48 115.31 115.25 1wvk h LEU 37 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1wvk h LEU 37 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1wvk h LEU 37 CO 0.00 1.42 0.00 1.21 0.09 0.00 0.00 178.44 181.16 1wvk n GLU 38 N -3.42 0.00 0.29 1.13 2.13 -1.26 -4.65 120.64 114.85 1wvk n GLU 38 Ca -0.16 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.83 1wvk n GLU 38 Cb 1.04 -0.27 0.95 0.00 0.27 0.00 0.00 31.44 33.43 1wvk n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wvk h ALA 39 N 0.00 1.48 -1.18 4.31 0.00 -1.98 -3.37 119.26 118.52 1wvk h ALA 39 Ca 0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1wvk h ALA 39 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1wvk h ALA 39 CO 0.00 -0.09 1.34 -0.80 0.00 0.00 0.00 179.25 179.70 1wvk s ASN 40 N -5.79 6.33 -0.23 0.00 -0.87 -1.26 -4.19 114.94 108.93 1wvk s ASN 40 Ca -0.05 -1.09 -0.04 0.00 -1.57 0.00 0.00 52.86 50.12 1wvk s ASN 40 Cb 0.14 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 1wvk s ASN 40 CO 0.51 -1.66 0.13 0.29 -2.57 0.00 0.00 177.10 173.80 1wvk n LYS 41 N 9.05 -2.10 0.00 -0.60 4.76 -1.26 -4.80 118.16 123.20 1wvk n LYS 41 Ca 0.24 1.89 0.03 0.00 -2.87 0.00 0.00 58.31 57.60 1wvk n LYS 41 Cb 0.50 -4.07 0.12 0.00 -1.84 0.00 0.00 35.03 29.75 1wvk n LYS 41 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1wvk n LYS 42 N 0.19 0.01 -0.11 1.97 2.85 -1.26 -0.92 118.16 120.90 1wvk n LYS 42 Ca 0.03 0.39 0.11 0.00 -1.05 0.00 0.00 58.31 57.79 1wvk n LYS 42 Cb 0.10 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.29 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvk n ALA 43 N -1.48 2.48 -0.97 0.58 0.00 -1.26 -4.90 120.51 114.96 1wvk n ALA 43 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1wvk n ALA 43 Cb 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wvk n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wvk n MET 44 N 0.81 -0.95 0.00 0.00 2.81 -0.09 -4.81 117.12 114.89 1wvk n MET 44 Ca 0.17 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1wvk n MET 44 Cb 0.45 -4.01 0.00 0.00 -0.71 0.00 0.00 33.22 28.95 1wvk n MET 44 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1wvk n SER 45 N -0.47 0.00 -4.08 7.83 3.41 -1.26 -4.63 113.62 114.41 1wvk n SER 45 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1wvk n SER 45 Cb 0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wvk s ILE 46 N 0.00 1.32 -0.13 -1.33 1.01 -0.54 -4.90 121.20 116.62 1wvk s ILE 46 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 1wvk s ILE 46 Cb 0.00 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1wvk s ILE 46 CO 0.00 0.39 0.21 -1.58 0.00 0.00 0.00 174.94 173.96 1wvk s GLN 47 N 0.38 3.89 0.16 2.79 0.74 -1.25 0.04 119.66 126.41 1wvk s GLN 47 Ca -0.11 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 54.98 1wvk s GLN 47 Cb -0.14 -3.31 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 1wvk s GLN 47 CO 0.04 0.52 1.28 0.00 -0.55 0.00 0.00 175.29 176.58 1wvk h LYS 49 N 5.83 0.05 0.00 0.00 3.64 -0.50 -2.76 116.57 122.83 1wvk h LYS 49 Ca -0.44 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1wvk h LYS 49 Cb 1.21 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1wvk h LYS 49 CO 0.79 0.03 -0.01 -0.39 -2.27 0.00 0.00 179.45 177.60 1wvk h VAL 50 N 0.05 0.80 0.00 2.00 -1.51 -1.91 -3.46 116.25 112.22 1wvk h VAL 50 Ca 0.15 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 1wvk h VAL 50 Cb 0.52 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1wvk h VAL 50 CO -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1wvk n MET 52 N 0.00 0.97 -1.94 0.00 2.81 -1.25 -4.78 117.12 112.95 1wvk n MET 52 Ca 0.00 -2.98 -0.06 0.00 -1.81 0.00 0.00 57.70 52.85 1wvk n MET 52 Cb 0.00 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1wvk n MET 52 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1wvk n GLN 53 N 0.35 1.18 -3.94 0.03 1.13 -1.25 -4.85 117.38 110.03 1wvk n GLN 53 Ca 0.20 -0.86 -0.09 0.00 -1.94 0.00 0.00 57.00 54.30 1wvk n GLN 53 Cb 0.67 0.05 -0.10 0.00 0.11 0.00 0.00 30.24 30.97 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 -0.49 0.13 -0.01 5.09 -1.32 -1.25 -0.35 115.64 117.45 1wvk s THR 54 Ca 0.10 -1.05 0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1wvk s THR 54 Cb -0.01 -0.77 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 1wvk s THR 54 CO 0.06 -0.58 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.41 1wvk s PHE 55 N -2.34 1.13 0.51 9.09 0.08 0.11 -4.85 117.98 121.72 1wvk s PHE 55 Ca -0.07 -0.22 -0.21 0.00 0.12 0.00 0.00 56.93 56.54 1wvk s PHE 55 Cb -0.03 -0.73 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 1wvk s PHE 55 CO -0.03 -0.02 1.21 -1.50 -0.10 0.00 0.00 175.22 174.78 1wvk s ILE 56 N -0.34 2.82 -1.32 0.64 1.10 -1.26 -1.47 121.20 121.37 1wvk s ILE 56 Ca 0.05 0.58 -0.16 0.00 -0.51 0.00 0.00 60.65 60.60 1wvk s ILE 56 Cb -0.05 -3.28 0.02 0.00 0.15 0.00 0.00 42.46 39.30 1wvk s ILE 56 CO -0.00 -0.04 2.05 0.00 -2.11 0.00 0.00 174.94 174.84 1wvk h THR 58 N 4.58 0.39 -3.62 0.00 1.35 -2.01 -3.45 112.91 110.14 1wvk h THR 58 Ca 0.50 -1.54 -0.67 0.00 -0.55 0.00 0.00 66.41 64.15 1wvk h THR 58 Cb 0.72 2.19 -0.18 0.00 -1.73 0.00 0.00 68.15 69.14 1wvk h THR 58 CO 1.75 0.22 -0.80 -0.89 -0.25 0.00 0.00 175.52 175.55 1wvk s THR 59 N -3.10 2.80 -1.45 6.82 2.01 -1.26 -5.01 115.64 116.44 1wvk s THR 59 Ca 0.06 -1.58 0.02 0.00 0.31 0.00 0.00 61.69 60.50 1wvk s THR 59 Cb 0.06 -2.30 0.10 0.00 0.01 0.00 0.00 72.50 70.37 1wvk s THR 59 CO 0.70 0.06 0.87 -0.24 -0.69 0.00 0.00 174.62 175.32 1wvk n SER 60 N 0.68 1.06 0.00 3.53 2.88 -1.26 -4.91 113.62 115.60 1wvk n SER 60 Ca -0.15 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1wvk n SER 60 Cb 0.53 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1wvk n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wvk n GLU 61 N -0.07 0.00 0.17 -1.46 4.07 -1.26 -4.35 120.64 117.75 1wvk n GLU 61 Ca 0.03 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 1wvk n GLU 61 Cb 0.23 0.00 0.70 0.00 -0.06 0.00 0.00 31.44 32.31 1wvk n GLU 61 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1wvk h VAL 62 N 0.00 0.81 0.07 6.31 2.07 -1.98 0.87 116.25 124.41 1wvk h VAL 62 Ca 0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1wvk h VAL 62 Cb 0.00 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1wvk h VAL 62 CO 0.00 0.00 -1.09 0.50 0.02 0.00 0.00 177.57 177.00 1wvk h LYS 63 N 0.00 0.36 0.00 1.57 3.11 -1.96 -2.27 116.57 117.38 1wvk h LYS 63 Ca 0.09 -0.48 -0.17 0.00 -2.81 0.00 0.00 60.65 57.28 1wvk h LYS 63 Cb 0.39 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 1wvk h LYS 63 CO -0.00 1.17 -0.83 0.00 -2.81 0.00 0.00 179.45 176.98 1wvk h ARG 65 N 0.00 -0.92 -0.29 0.00 2.43 0.71 0.45 114.38 116.76 1wvk h ARG 65 Ca -0.01 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1wvk h ARG 65 Cb 1.47 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 31.21 1wvk h ARG 65 CO 0.11 -0.61 0.07 1.05 -1.51 0.00 0.00 179.97 179.08 1wvk h GLU 66 N -0.95 0.42 0.00 0.20 4.11 -1.48 0.35 114.58 117.23 1wvk h GLU 66 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1wvk h GLU 66 Cb 0.81 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1wvk h GLU 66 CO -0.00 0.39 0.00 1.58 0.07 0.00 0.00 179.01 181.05 1wvk n HIS 67 N -4.37 0.65 -0.13 2.06 -0.00 -1.02 -2.78 115.22 109.63 1wvk n HIS 67 Ca 0.01 0.20 -0.26 0.00 -0.00 0.00 0.00 57.72 57.67 1wvk n HIS 67 Cb 0.17 -0.83 -0.11 0.00 -0.00 0.00 0.00 29.99 29.22 1wvk n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wvk n ALA 68 N -1.70 1.18 -0.29 1.57 0.00 0.15 -4.09 120.51 117.33 1wvk n ALA 68 Ca 0.05 -1.00 0.10 0.00 0.00 0.00 0.00 53.44 52.59 1wvk n ALA 68 Cb 0.36 -0.03 0.34 0.00 0.00 0.00 0.00 19.45 20.11 1wvk n ALA 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wvk h GLU 69 N -0.77 0.76 -0.09 0.00 5.08 -0.46 0.29 114.58 119.40 1wvk h GLU 69 Ca -0.63 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1wvk h GLU 69 Cb 1.65 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1wvk h GLU 69 CO -0.32 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1wvk n ALA 70 N -2.41 2.56 -1.02 3.43 0.00 -1.12 -4.70 120.51 117.25 1wvk n ALA 70 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1wvk n ALA 70 Cb 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.03 0.00 -3.93 0.00 4.76 0.21 -5.08 118.16 114.15 1wvk n LYS 71 Ca 0.17 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 1wvk n LYS 71 Cb 0.29 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.49 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 -0.81 -1.66 -0.17 2.13 1.44 0.78 -4.92 115.22 112.01 1wvk n HIS 72 Ca 0.00 0.33 -0.09 0.00 -2.01 0.00 0.00 57.72 55.96 1wvk n HIS 72 Cb 0.00 -2.88 -0.04 0.00 0.12 0.00 0.00 29.99 27.19 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 -1.87 -0.25 0.00 -1.40 0.11 -1.95 -3.45 132.00 123.19 1wvk h PRO 73 Ca -0.67 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1wvk h PRO 73 Cb 1.39 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1wvk h PRO 73 CO 0.47 -0.17 0.00 0.36 -0.21 0.00 0.00 178.00 178.45 1wvk n LYS 74 N -5.41 0.00 -1.66 1.05 2.85 -1.26 -5.12 118.16 108.61 1wvk n LYS 74 Ca 0.01 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.26 1wvk n LYS 74 Cb 0.35 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.72 1wvk n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvk n ALA 75 N -0.02 -3.06 -1.57 0.58 0.00 -1.26 -4.92 120.51 110.27 1wvk n ALA 75 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1wvk n ALA 75 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1wvk n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wvk n ASP 76 N 0.47 0.00 0.11 0.00 9.92 -1.26 -3.96 116.55 121.84 1wvk n ASP 76 Ca -0.08 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.31 1wvk n ASP 76 Cb 0.13 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 40.92 1wvk n ASP 76 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1wvk h VAL 77 N 0.00 0.00 -0.63 2.53 -1.51 -2.00 -2.69 116.25 111.95 1wvk h VAL 77 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1wvk h VAL 77 Cb 0.00 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 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 -2.36 1.04 0.18 7.19 0.24 -1.26 -4.26 118.33 119.09 1wvk n VAL 78 Ca 0.05 -0.91 0.05 0.00 -2.04 0.00 0.00 64.34 61.49 1wvk n VAL 78 Cb 0.45 0.35 0.22 0.00 -1.47 0.00 0.00 33.84 33.39 1wvk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvk n ALA 79 N 1.30 1.21 1.15 2.33 0.00 -1.01 -0.62 120.51 124.87 1wvk n ALA 79 Ca 0.22 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.83 1wvk n ALA 79 Cb 0.61 -1.14 0.57 0.00 0.00 0.00 0.00 19.45 19.48 1wvk n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk s PHE 81 N -2.83 -1.18 -1.81 0.00 5.36 0.21 0.28 117.98 118.02 1wvk s PHE 81 Ca 0.19 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1wvk s PHE 81 Cb 0.19 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1wvk s PHE 81 CO 0.54 -0.88 0.37 -2.30 -1.46 0.00 0.00 175.22 171.50 1wvk n PRO 82 N 3.29 0.00 0.00 10.12 -0.02 -1.06 -2.07 135.00 145.26 1wvk n PRO 82 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1wvk n PRO 82 Cb 0.59 -1.41 0.37 0.00 -0.02 0.00 0.00 33.50 33.03 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 -0.87 0.00 -0.00 6.00 8.25 -1.26 -3.78 115.22 123.56 1wvk n HIS 83 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1wvk n HIS 83 Cb 0.00 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.76 1wvk n HIS 83 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1wvk h LEU 84 N 0.53 0.16 -0.05 2.41 3.38 -1.70 -3.34 115.31 116.70 1wvk h LEU 84 Ca 0.00 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1wvk h LEU 84 Cb 0.48 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1wvk h LEU 84 CO 0.00 1.29 -0.10 2.29 0.09 0.00 0.00 178.44 182.01 1wvk n LYS 85 N -3.22 -0.31 0.00 1.13 -0.00 -1.25 -4.89 118.16 109.63 1wvk n LYS 85 Ca -0.20 0.24 0.15 0.00 -0.00 0.00 0.00 58.31 58.50 1wvk n LYS 85 Cb 1.05 -0.82 0.75 0.00 -0.00 0.00 0.00 35.03 36.00 1wvk n LYS 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57