#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvk n HIS 2 N 0.00 0.00 -3.44 1.61 -0.00 -1.26 -4.82 115.22 107.31 1wvk n HIS 2 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1wvk n HIS 2 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1wvk n HIS 2 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1wvk s HIS 3 N 0.00 3.58 0.00 1.57 -0.00 -1.26 -4.98 115.29 114.20 1wvk s HIS 3 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 55.06 56.01 1wvk s HIS 3 Cb 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 32.58 30.30 1wvk s HIS 3 CO 0.00 0.45 0.00 0.72 -0.00 0.00 0.00 174.74 175.91 1wvk n HIS 4 N 0.77 0.00 -4.19 0.38 -0.00 -1.26 -5.10 115.22 105.81 1wvk n HIS 4 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.55 1wvk n HIS 4 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.41 1wvk n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 5 N -1.69 1.10 -0.71 4.41 4.02 -1.26 -5.02 115.29 116.13 1wvk s HIS 5 Ca 0.00 -1.32 0.25 0.00 1.02 0.00 0.00 55.06 55.00 1wvk s HIS 5 Cb 0.00 -0.56 0.44 0.00 -1.02 0.00 0.00 32.58 31.44 1wvk s HIS 5 CO 0.00 -0.58 1.39 1.58 1.02 0.00 0.00 174.74 178.15 1wvk n HIS 6 N -0.23 0.50 -4.11 1.40 -0.00 -1.26 -4.06 115.22 107.46 1wvk n HIS 6 Ca -0.00 0.14 -0.34 0.00 -0.00 0.00 0.00 57.72 57.52 1wvk n HIS 6 Cb 0.65 -0.62 -0.07 0.00 -0.00 0.00 0.00 29.99 29.95 1wvk n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1wvk s HIS 7 N -3.13 3.33 0.00 1.57 -0.00 -1.26 -4.39 115.29 111.41 1wvk s HIS 7 Ca 0.07 0.27 0.00 0.00 -0.00 0.00 0.00 55.06 55.41 1wvk s HIS 7 Cb 0.14 -1.79 0.00 0.00 -0.00 0.00 0.00 32.58 30.93 1wvk s HIS 7 CO 0.70 0.57 0.00 -0.11 -0.00 0.00 0.00 174.74 175.90 1wvk n LEU 8 N 1.53 0.00 0.31 5.38 0.00 -1.26 -4.18 117.00 118.77 1wvk n LEU 8 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.05 1wvk n LEU 8 Cb 0.53 0.00 1.03 0.00 0.00 0.00 0.00 43.42 44.98 1wvk n LEU 8 CO 0.35 0.00 1.11 -0.33 0.00 0.00 0.00 177.39 178.52 1wvk h GLU 9 N 0.00 0.00 -0.41 1.96 3.07 -1.87 -1.09 114.58 116.25 1wvk h GLU 9 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1wvk h GLU 9 Cb 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.55 1wvk h GLU 9 CO 0.00 0.00 -0.95 0.41 -1.40 0.00 0.00 179.01 177.07 1wvk n GLY 10 N -1.15 3.35 0.00 -3.84 0.00 -1.26 -4.80 105.19 97.50 1wvk n GLY 10 Ca -0.03 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.51 -0.06 0.00 -0.02 0.00 -0.41 -4.86 105.19 99.33 1wvk n GLY 11 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.26 3.70 5.19 -0.02 0.00 -1.26 -4.66 105.19 109.40 1wvk n GLY 12 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -1.38 1.61 4.13 -1.26 -4.94 115.26 113.42 1wvk n ASN 13 Ca 0.00 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.44 1wvk n ASN 13 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wvk n ALA 14 N 0.48 -3.68 -1.11 5.41 0.00 -1.26 -4.12 120.51 116.23 1wvk n ALA 14 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1wvk n ALA 14 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1wvk n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk n GLN 15 N -4.08 0.09 -0.09 0.00 10.64 -1.26 -4.73 117.38 117.95 1wvk n GLN 15 Ca -0.01 -0.61 0.09 0.00 -1.83 0.00 0.00 57.00 54.65 1wvk n GLN 15 Cb 0.66 -0.52 0.34 0.00 -0.86 0.00 0.00 30.24 29.86 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1wvk n LYS 16 N -0.02 1.68 0.00 2.61 4.01 -1.26 -4.93 118.16 120.25 1wvk n LYS 16 Ca 0.00 -1.03 0.00 0.00 -0.51 0.00 0.00 58.31 56.77 1wvk n LYS 16 Cb 0.52 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.69 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1wvk n SER 17 N 0.27 0.00 0.27 4.39 7.64 -1.26 -4.64 113.62 120.28 1wvk n SER 17 Ca 0.15 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1wvk n SER 17 Cb 0.30 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk h ALA 18 N 0.00 -1.11 -0.00 -0.43 0.00 -1.96 -2.64 119.26 113.12 1wvk h ALA 18 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wvk h ALA 18 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wvk h ALA 18 CO 0.00 -1.11 -0.03 -1.33 0.00 0.00 0.00 179.25 176.78 1wvk n MET 19 N -4.69 0.01 -0.07 0.00 2.81 -1.26 -3.52 117.12 110.40 1wvk n MET 19 Ca -0.10 -0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.68 1wvk n MET 19 Cb 0.36 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 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 3.01 0.30 -0.60 3.04 0.00 -1.63 -0.25 119.26 123.13 1wvk h ALA 20 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wvk h ALA 20 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wvk h ALA 20 CO 0.00 -0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.07 1wvk n ARG 21 N -4.76 2.64 -0.05 0.00 1.85 -1.14 -3.77 116.66 111.42 1wvk n ARG 21 Ca -0.04 -2.27 -0.11 0.00 -1.00 0.00 0.00 57.85 54.43 1wvk n ARG 21 Cb 0.16 -1.56 -0.04 0.00 -1.05 0.00 0.00 32.46 29.97 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wvk n ALA 22 N 1.21 2.08 1.18 2.89 0.00 -0.98 -4.64 120.51 122.25 1wvk n ALA 22 Ca 0.21 -0.50 0.14 0.00 0.00 0.00 0.00 53.44 53.29 1wvk n ALA 22 Cb 0.58 0.27 0.56 0.00 0.00 0.00 0.00 19.45 20.86 1wvk n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wvk n LYS 23 N -3.72 0.27 -0.78 0.00 4.81 -0.14 -4.88 118.16 113.72 1wvk n LYS 23 Ca -0.21 -0.07 -0.30 0.00 -0.87 0.00 0.00 58.31 56.86 1wvk n LYS 23 Cb 0.55 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.29 1wvk n LYS 23 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wvk s ASN 24 N -2.78 2.58 -0.36 3.14 6.03 -1.25 -4.88 114.94 117.43 1wvk s ASN 24 Ca 0.20 1.86 -0.22 0.00 -1.03 0.00 0.00 52.86 53.67 1wvk s ASN 24 Cb 0.19 -2.43 0.01 0.00 -3.03 0.00 0.00 41.25 35.99 1wvk s ASN 24 CO 0.54 -3.26 0.72 -0.76 -2.03 0.00 0.00 177.10 172.31 1wvk s LEU 25 N -6.66 4.19 0.54 3.54 1.43 -1.26 -4.94 118.68 115.51 1wvk s LEU 25 Ca 0.66 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.80 1wvk s LEU 25 Cb -0.22 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1wvk s LEU 25 CO 0.59 -0.67 1.32 -1.83 0.23 0.00 0.00 176.35 175.99 1wvk s GLU 26 N 2.92 3.19 0.00 1.70 -1.05 -1.26 -4.34 118.70 119.87 1wvk s GLU 26 Ca 0.28 2.14 0.00 0.00 -0.15 0.00 0.00 54.97 57.24 1wvk s GLU 26 Cb -0.14 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1wvk s GLU 26 CO 0.16 -1.12 0.54 0.36 0.95 0.00 0.00 175.26 176.15 1wvk n LYS 27 N -1.02 0.49 -3.68 -4.83 -0.00 -1.26 -5.05 118.16 102.80 1wvk n LYS 27 Ca 0.10 -0.68 -0.13 0.00 -0.00 0.00 0.00 58.31 57.60 1wvk n LYS 27 Cb 0.46 -0.82 -0.07 0.00 -0.00 0.00 0.00 35.03 34.60 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wvk s ALA 28 N -0.28 -0.97 -0.03 0.58 0.00 -1.26 -5.06 121.76 114.74 1wvk s ALA 28 Ca 0.00 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.36 1wvk s ALA 28 Cb 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 1wvk s ALA 28 CO 0.00 -0.42 0.13 1.63 0.00 0.00 0.00 175.76 177.10 1wvk n LYS 29 N 0.64 1.01 0.00 0.00 5.02 -1.26 -5.10 118.16 118.46 1wvk n LYS 29 Ca -0.19 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1wvk n LYS 29 Cb 0.59 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1wvk n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk n ALA 30 N -1.93 0.00 -2.60 7.82 0.00 -1.26 -4.86 120.51 117.68 1wvk n ALA 30 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 1wvk n ALA 30 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 1wvk n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk s ALA 31 N -1.85 3.17 0.00 0.00 0.00 -1.26 -4.97 121.76 116.85 1wvk s ALA 31 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1wvk s ALA 31 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1wvk s ALA 31 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1wvk n GLY 32 N -0.96 0.43 0.10 0.00 0.00 -1.26 -4.97 105.19 98.53 1wvk n GLY 32 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1wvk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wvk h LYS 33 N 0.00 0.00 0.00 1.61 1.79 -1.97 -3.49 116.57 114.52 1wvk h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wvk h LYS 33 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1wvk h LYS 33 CO 0.00 0.75 0.00 0.41 -1.08 0.00 0.00 179.45 179.53 1wvk n GLY 34 N 1.05 1.39 0.00 3.86 0.00 -1.26 -4.60 105.19 105.64 1wvk n GLY 34 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1wvk n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wvk n SER 35 N 0.00 0.00 0.07 1.61 7.64 -1.26 -4.83 113.62 116.85 1wvk n SER 35 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wvk n SER 35 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1wvk n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk n GLN 36 N -1.05 0.00 0.03 1.43 6.02 -1.26 -4.88 117.38 117.67 1wvk n GLN 36 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1wvk n GLN 36 Cb 0.00 -0.08 -0.10 0.00 1.02 0.00 0.00 30.24 31.08 1wvk n GLN 36 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1wvk h LEU 37 N 0.00 0.87 -0.37 1.08 -0.00 -1.98 -3.31 115.31 111.60 1wvk h LEU 37 Ca 0.00 -0.73 0.08 0.00 -0.00 0.00 0.00 57.88 57.23 1wvk h LEU 37 Cb 0.00 -0.27 -0.09 0.00 -0.00 0.00 0.00 40.66 40.31 1wvk h LEU 37 CO 0.00 1.49 -0.29 -0.33 -0.00 0.00 0.00 178.44 179.31 1wvk h GLU 38 N 0.35 -0.23 -2.28 1.13 4.39 -1.95 -3.24 114.58 112.75 1wvk h GLU 38 Ca -0.12 0.02 -0.59 0.00 0.34 0.00 0.00 59.36 59.01 1wvk h GLU 38 Cb 1.62 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 29.92 1wvk h GLU 38 CO 0.19 -0.15 -0.77 0.00 -1.16 0.00 0.00 179.01 177.12 1wvk n ALA 39 N -2.95 3.41 -3.18 3.43 0.00 -1.26 -4.97 120.51 115.00 1wvk n ALA 39 Ca 0.01 -4.21 -0.33 0.00 0.00 0.00 0.00 53.44 48.91 1wvk n ALA 39 Cb 0.32 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.76 4.02 0.18 0.00 3.04 -1.23 -4.81 114.94 114.38 1wvk s ASN 40 Ca 0.36 -0.35 0.00 0.00 0.04 0.00 0.00 52.86 52.91 1wvk s ASN 40 Cb 0.12 -1.62 0.00 0.00 -1.54 0.00 0.00 41.25 38.21 1wvk s ASN 40 CO -0.08 0.13 0.00 0.29 -3.04 0.00 0.00 177.10 174.41 1wvk n LYS 41 N 3.74 0.00 0.00 0.43 4.76 -1.26 -5.03 118.16 120.80 1wvk n LYS 41 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1wvk n LYS 41 Cb 0.52 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 1wvk n LYS 41 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wvk n LYS 42 N -3.18 0.00 0.00 1.97 4.81 -1.26 -4.35 118.16 116.16 1wvk n LYS 42 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1wvk n LYS 42 Cb 0.03 -0.07 0.59 0.00 0.02 0.00 0.00 35.03 35.59 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wvk n ALA 43 N 0.00 2.39 -2.82 3.14 0.00 -1.26 -4.98 120.51 116.98 1wvk n ALA 43 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1wvk n ALA 43 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.52 -2.91 0.00 0.00 2.81 -1.26 -5.04 117.12 109.20 1wvk n MET 44 Ca 0.07 2.42 0.00 0.00 -1.81 0.00 0.00 57.70 58.38 1wvk n MET 44 Cb 0.34 -4.89 0.00 0.00 -0.71 0.00 0.00 33.22 27.96 1wvk n MET 44 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1wvk n SER 45 N 0.54 0.00 -4.08 7.83 7.64 -1.26 -5.05 113.62 119.24 1wvk n SER 45 Ca 0.02 0.06 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 1wvk n SER 45 Cb 0.17 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wvk s ILE 46 N -0.13 0.22 0.09 0.44 1.01 -1.15 -4.89 121.20 116.80 1wvk s ILE 46 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 60.65 58.97 1wvk s ILE 46 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1wvk s ILE 46 CO 0.00 -0.96 -0.08 -1.58 0.00 0.00 0.00 174.94 172.32 1wvk s GLN 47 N -3.75 2.23 0.23 2.79 0.74 -1.26 -0.88 119.66 119.78 1wvk s GLN 47 Ca 0.05 -0.97 -0.19 0.00 0.05 0.00 0.00 55.36 54.31 1wvk s GLN 47 Cb 0.07 -2.36 -0.08 0.00 1.10 0.00 0.00 33.01 31.73 1wvk s GLN 47 CO -0.09 0.52 0.72 0.00 -0.55 0.00 0.00 175.29 175.88 1wvk h LYS 49 N 3.28 0.00 -0.01 0.00 3.11 -1.58 -2.94 116.57 118.43 1wvk h LYS 49 Ca -0.48 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.34 1wvk h LYS 49 Cb 1.19 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1wvk h LYS 49 CO 0.65 0.10 -0.10 -0.39 -2.81 0.00 0.00 179.45 176.90 1wvk h VAL 50 N 0.00 1.08 0.00 2.00 -1.51 -1.87 -3.47 116.25 112.48 1wvk h VAL 50 Ca -0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1wvk h VAL 50 Cb 0.40 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1wvk h VAL 50 CO 0.01 0.10 0.00 0.00 -1.23 0.00 0.00 177.57 176.46 1wvk n MET 52 N 0.00 1.23 -0.66 0.00 2.81 -1.26 -4.69 117.12 114.55 1wvk n MET 52 Ca 0.00 -3.57 0.00 0.00 -1.81 0.00 0.00 57.70 52.32 1wvk n MET 52 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 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 0.67 2.30 -3.90 0.03 1.13 -1.26 -4.85 117.38 111.50 1wvk n GLN 53 Ca 0.25 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.20 1wvk n GLN 53 Cb 0.57 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.82 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 1.02 0.10 0.43 5.09 -1.32 -1.26 -1.72 115.64 117.99 1wvk s THR 54 Ca 0.00 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1wvk s THR 54 Cb 0.00 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1wvk s THR 54 CO 0.00 -0.47 0.04 -0.36 -2.21 0.00 0.00 174.62 171.62 1wvk s PHE 55 N -1.85 2.05 -0.07 9.09 0.40 -0.06 -4.82 117.98 122.71 1wvk s PHE 55 Ca -0.11 -0.94 -0.05 0.00 -0.60 0.00 0.00 56.93 55.23 1wvk s PHE 55 Cb -0.05 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1wvk s PHE 55 CO -0.01 0.15 0.15 -1.50 0.70 0.00 0.00 175.22 174.71 1wvk s ILE 56 N -2.97 5.41 -1.26 0.64 1.10 -1.26 -2.91 121.20 119.95 1wvk s ILE 56 Ca 0.23 0.04 -0.14 0.00 -0.51 0.00 0.00 60.65 60.26 1wvk s ILE 56 Cb 0.05 -3.42 0.14 0.00 0.15 0.00 0.00 42.46 39.38 1wvk s ILE 56 CO 0.11 0.50 1.62 0.00 -2.11 0.00 0.00 174.94 175.06 1wvk n THR 58 N 4.99 0.72 0.00 0.00 5.66 -1.26 -4.78 114.28 119.61 1wvk n THR 58 Ca 0.41 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 1wvk n THR 58 Cb 0.43 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 1wvk n THR 58 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wvk n THR 59 N -1.95 0.00 -0.69 1.09 -1.04 -1.26 -5.09 114.28 105.34 1wvk n THR 59 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1wvk n THR 59 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1wvk n THR 59 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wvk n SER 60 N -0.04 0.00 0.00 8.00 3.41 -1.26 -5.01 113.62 118.71 1wvk n SER 60 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1wvk n SER 60 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wvk n SER 60 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wvk n GLU 61 N 0.00 0.00 -0.36 4.33 2.13 -1.26 -4.59 120.64 120.89 1wvk n GLU 61 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1wvk n GLU 61 Cb 0.13 -0.14 0.18 0.00 0.27 0.00 0.00 31.44 31.89 1wvk n GLU 61 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wvk h VAL 62 N 0.00 1.06 -0.69 6.31 2.07 -1.98 0.27 116.25 123.29 1wvk h VAL 62 Ca 0.00 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1wvk h VAL 62 Cb 0.00 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.56 1wvk h VAL 62 CO 0.00 0.21 0.34 0.50 0.02 0.00 0.00 177.57 178.63 1wvk h LYS 63 N 1.13 0.97 0.00 1.57 3.11 -1.96 -0.43 116.57 120.96 1wvk h LYS 63 Ca 0.44 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1wvk h LYS 63 Cb 0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1wvk h LYS 63 CO -0.19 0.75 -0.14 0.00 -2.81 0.00 0.00 179.45 177.05 1wvk h ARG 65 N 0.00 1.12 -0.22 0.00 3.08 0.11 0.17 114.38 118.64 1wvk h ARG 65 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1wvk h ARG 65 Cb 0.97 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1wvk h ARG 65 CO 0.00 1.00 0.14 0.93 -1.07 0.00 0.00 179.97 180.97 1wvk h GLU 66 N 1.06 0.29 0.00 0.04 5.08 -1.23 -0.04 114.58 119.78 1wvk h GLU 66 Ca 0.22 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1wvk h GLU 66 Cb 0.39 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wvk h GLU 66 CO 0.00 0.20 -0.17 1.25 -1.00 0.00 0.00 179.01 179.30 1wvk h HIS 67 N 0.29 0.00 -0.06 4.33 2.76 -1.42 -2.57 115.15 118.49 1wvk h HIS 67 Ca 0.08 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 1wvk h HIS 67 Cb -0.03 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.95 1wvk h HIS 67 CO -0.06 0.17 -0.71 0.00 -1.30 0.00 0.00 177.93 176.03 1wvk h ALA 68 N 1.83 0.17 0.00 5.26 0.00 0.09 -2.81 119.26 123.80 1wvk h ALA 68 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wvk h ALA 68 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wvk h ALA 68 CO 0.02 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.16 1wvk n GLU 69 N -4.09 0.14 0.22 0.00 -0.58 -0.10 -0.29 120.64 115.95 1wvk n GLU 69 Ca -0.09 0.49 0.14 0.00 -0.42 0.00 0.00 57.16 57.27 1wvk n GLU 69 Cb 0.71 -1.84 0.38 0.00 -0.57 0.00 0.00 31.44 30.13 1wvk n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wvk h ALA 70 N 2.18 1.00 -3.00 0.62 0.00 -1.19 -3.45 119.26 115.42 1wvk h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 70 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wvk h ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1wvk n LYS 71 N -2.96 0.00 -3.70 0.00 4.76 0.61 -5.09 118.16 111.77 1wvk n LYS 71 Ca 0.03 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.21 1wvk n LYS 71 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 -0.71 -1.51 0.20 2.13 1.44 -0.09 -4.96 115.22 111.72 1wvk n HIS 72 Ca 0.00 0.50 -0.09 0.00 -2.01 0.00 0.00 57.72 56.13 1wvk n HIS 72 Cb 0.00 -2.26 -0.04 0.00 0.12 0.00 0.00 29.99 27.81 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 -0.51 -0.55 -2.09 -1.40 0.11 -1.97 -3.47 132.00 122.12 1wvk h PRO 73 Ca -0.55 0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1wvk h PRO 73 Cb 1.16 0.13 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 1wvk h PRO 73 CO 0.34 -0.37 -0.17 -1.59 -0.21 0.00 0.00 178.00 176.00 1wvk s LYS 74 N -3.48 0.53 -0.30 1.05 -2.85 -1.26 -5.11 119.74 108.33 1wvk s LYS 74 Ca -0.08 1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 55.98 1wvk s LYS 74 Cb 0.01 0.78 0.01 0.00 -2.06 0.00 0.00 37.83 36.56 1wvk s LYS 74 CO 0.25 -0.21 1.22 0.00 0.10 0.00 0.00 175.35 176.71 1wvk s ALA 75 N 2.84 3.43 0.00 0.59 0.00 -1.26 -4.95 121.76 122.41 1wvk s ALA 75 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1wvk s ALA 75 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1wvk s ALA 75 CO -0.18 -1.64 0.00 -0.25 0.00 0.00 0.00 175.76 173.69 1wvk n ASP 76 N 7.30 0.00 0.08 0.00 9.92 -1.26 -3.96 116.55 128.63 1wvk n ASP 76 Ca 0.14 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.52 1wvk n ASP 76 Cb 0.47 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.22 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1wvk n VAL 77 N -0.37 0.47 0.11 2.53 0.24 -1.26 -2.69 118.33 117.36 1wvk n VAL 77 Ca 0.00 -0.28 0.08 0.00 -2.04 0.00 0.00 64.34 62.10 1wvk n VAL 77 Cb 0.00 -0.33 0.26 0.00 -1.47 0.00 0.00 33.84 32.29 1wvk n VAL 77 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1wvk n VAL 78 N -2.18 0.97 0.36 3.34 0.24 -1.26 -4.20 118.33 115.59 1wvk n VAL 78 Ca 0.04 -0.80 0.04 0.00 -2.04 0.00 0.00 64.34 61.58 1wvk n VAL 78 Cb 0.44 0.26 0.20 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.03 1.51 0.38 2.33 0.00 -1.09 -0.62 120.51 124.03 1wvk n ALA 79 Ca 0.19 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1wvk n ALA 79 Cb 0.55 -1.13 0.39 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.29 -1.46 -1.62 0.00 2.19 0.21 -1.50 117.98 112.51 1wvk s PHE 81 Ca 0.06 -0.51 0.05 0.00 0.33 0.00 0.00 56.93 56.86 1wvk s PHE 81 Cb 0.09 0.29 0.24 0.00 -1.31 0.00 0.00 43.02 42.33 1wvk s PHE 81 CO 0.58 -1.16 0.90 -2.30 1.83 0.00 0.00 175.22 175.08 1wvk n PRO 82 N 2.92 0.09 0.00 10.12 -0.02 -1.04 -1.74 135.00 145.32 1wvk n PRO 82 Ca 0.17 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1wvk n PRO 82 Cb 0.57 -1.50 0.56 0.00 -0.02 0.00 0.00 33.50 33.11 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 -1.19 0.00 -0.39 6.00 8.25 -1.26 -3.56 115.22 123.07 1wvk n HIS 83 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 1wvk n HIS 83 Cb 0.03 -0.23 0.24 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.09 3.61 -0.20 2.41 4.77 -0.71 -4.48 117.00 121.31 1wvk n LEU 84 Ca 0.12 -2.18 0.01 0.00 -0.03 0.00 0.00 56.01 53.92 1wvk n LEU 84 Cb 0.29 -0.39 0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1wvk n LEU 84 CO 0.26 0.81 0.87 0.50 -1.33 0.00 0.00 177.39 178.49 1wvk h LYS 85 N 2.93 0.16 0.00 3.23 1.63 -1.77 -3.50 116.57 119.25 1wvk h LYS 85 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1wvk h LYS 85 Cb 1.00 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1wvk h LYS 85 CO 0.06 0.11 0.00 1.17 -3.45 0.00 0.00 179.45 177.34