#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 -4.19 1.61 -0.00 -1.26 -4.99 115.22 106.39 1wvk n HIS 2 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 1wvk n HIS 2 Cb 0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 29.99 29.79 1wvk n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 3 N -1.89 1.05 -0.23 4.41 4.02 -1.26 -5.05 115.29 116.35 1wvk s HIS 3 Ca -0.00 -0.38 -0.16 0.00 1.02 0.00 0.00 55.06 55.54 1wvk s HIS 3 Cb 0.01 -0.88 -0.09 0.00 -1.02 0.00 0.00 32.58 30.59 1wvk s HIS 3 CO 0.08 -0.28 -0.33 0.72 1.02 0.00 0.00 174.74 175.95 1wvk n HIS 4 N 4.25 0.08 -3.83 1.40 8.25 -1.26 -5.09 115.22 119.02 1wvk n HIS 4 Ca -0.20 0.03 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 1wvk n HIS 4 Cb 0.51 -0.78 0.01 0.00 1.12 0.00 0.00 29.99 30.84 1wvk n HIS 4 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1wvk s HIS 5 N -2.66 0.02 0.00 4.41 0.00 -1.26 -5.18 115.29 110.62 1wvk s HIS 5 Ca -0.33 -0.57 0.00 0.00 -3.00 0.00 0.00 55.06 51.15 1wvk s HIS 5 Cb 0.10 0.77 0.00 0.00 -4.00 0.00 0.00 32.58 29.44 1wvk s HIS 5 CO 0.46 -1.31 0.00 0.72 -1.00 0.00 0.00 174.74 173.61 1wvk n HIS 6 N -0.54 0.00 -4.19 0.38 -0.00 -1.26 -5.18 115.22 104.43 1wvk n HIS 6 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.54 1wvk n HIS 6 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.49 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 0.96 1.11 -0.09 4.41 0.00 -1.26 -5.02 115.29 115.40 1wvk s HIS 7 Ca 0.00 -1.35 -0.01 0.00 -3.00 0.00 0.00 55.06 50.70 1wvk s HIS 7 Cb 0.00 -0.55 0.00 0.00 -4.00 0.00 0.00 32.58 28.03 1wvk s HIS 7 CO 0.00 -0.62 0.03 -0.11 -1.00 0.00 0.00 174.74 173.05 1wvk n LEU 8 N -0.24 -3.66 -0.22 5.38 7.94 0.46 -4.94 117.00 121.72 1wvk n LEU 8 Ca 0.01 0.35 0.12 0.00 -1.11 0.00 0.00 56.01 55.37 1wvk n LEU 8 Cb 0.66 -1.65 0.59 0.00 0.53 0.00 0.00 43.42 43.54 1wvk n LEU 8 CO 0.33 -0.84 0.89 -0.62 -1.11 0.00 0.00 177.39 176.04 1wvk n GLU 9 N 0.07 1.29 0.00 1.96 -0.58 -1.26 -4.79 120.64 117.32 1wvk n GLU 9 Ca 0.01 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 1wvk n GLU 9 Cb 0.03 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wvk n GLY 10 N 0.98 3.06 0.00 0.62 0.00 -1.26 -5.08 105.19 103.51 1wvk n GLY 10 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.42 0.00 -0.02 0.00 -1.26 -4.96 105.19 101.37 1wvk n GLY 11 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.74 1.40 3.34 -0.02 0.00 -1.26 -4.99 105.19 102.92 1wvk n GLY 12 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.00 -0.33 0.06 1.61 2.20 -1.26 -5.00 114.94 108.23 1wvk s ASN 13 Ca 0.00 0.05 -0.26 0.00 -0.94 0.00 0.00 52.86 51.70 1wvk s ASN 13 Cb 0.00 0.44 0.09 0.00 -2.00 0.00 0.00 41.25 39.78 1wvk s ASN 13 CO 0.00 -0.68 0.79 0.00 -2.94 0.00 0.00 177.10 174.27 1wvk s ALA 14 N -2.46 -1.73 -0.27 3.54 0.00 -1.26 -5.04 121.76 114.54 1wvk s ALA 14 Ca -0.05 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 1wvk s ALA 14 Cb -0.01 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1wvk s ALA 14 CO -0.02 -0.74 0.44 -1.14 0.00 0.00 0.00 175.76 174.30 1wvk s GLN 15 N -3.36 4.00 0.00 0.00 0.74 -1.26 -2.61 119.66 117.18 1wvk s GLN 15 Ca 0.04 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.58 1wvk s GLN 15 Cb -0.01 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1wvk s GLN 15 CO -0.10 -0.33 0.00 1.17 -0.55 0.00 0.00 175.29 175.48 1wvk n LYS 16 N 5.44 0.00 -0.48 1.67 4.81 -1.26 -4.89 118.16 123.45 1wvk n LYS 16 Ca -0.06 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.47 1wvk n LYS 16 Cb 0.50 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.86 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wvk n SER 17 N 0.00 4.04 -3.78 3.14 7.64 -1.26 -4.92 113.62 118.48 1wvk n SER 17 Ca 0.00 -2.27 -0.25 0.00 1.01 0.00 0.00 58.87 57.36 1wvk n SER 17 Cb 0.00 -0.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk n ALA 18 N 1.13 -1.68 -0.84 -0.43 0.00 -1.26 -0.63 120.51 116.81 1wvk n ALA 18 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1wvk n ALA 18 Cb 0.73 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.98 1wvk n ALA 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1wvk n MET 19 N -4.48 -0.14 -0.04 0.00 1.56 -1.07 -4.87 117.12 108.07 1wvk n MET 19 Ca -0.14 0.04 -0.08 0.00 -0.27 0.00 0.00 57.70 57.25 1wvk n MET 19 Cb 0.61 -3.39 0.10 0.00 2.15 0.00 0.00 33.22 32.69 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wvk h ALA 20 N 0.00 0.86 0.00 -5.12 0.00 -1.18 -3.41 119.26 110.40 1wvk h ALA 20 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1wvk h ALA 20 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1wvk h ALA 20 CO 0.00 0.64 -0.10 2.89 0.00 0.00 0.00 179.25 182.67 1wvk n ARG 21 N -4.06 0.00 -2.41 0.00 1.85 -1.26 -5.07 116.66 105.70 1wvk n ARG 21 Ca -0.01 -0.35 -0.39 0.00 -1.00 0.00 0.00 57.85 56.09 1wvk n ARG 21 Cb 0.48 0.37 -0.03 0.00 -1.05 0.00 0.00 32.46 32.23 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wvk s ALA 22 N 0.00 2.52 0.00 2.89 0.00 -1.26 -3.94 121.76 121.98 1wvk s ALA 22 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1wvk s ALA 22 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1wvk s ALA 22 CO 0.00 -3.64 0.00 1.63 0.00 0.00 0.00 175.76 173.75 1wvk n LYS 23 N 9.17 0.00 -2.61 0.00 5.02 -1.26 -4.28 118.16 124.21 1wvk n LYS 23 Ca 0.18 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 1wvk n LYS 23 Cb 0.50 -3.35 -0.02 0.00 -0.02 0.00 0.00 35.03 32.13 1wvk n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wvk s ASN 24 N -2.60 7.07 0.83 4.39 2.47 -1.25 -0.40 114.94 125.44 1wvk s ASN 24 Ca 0.00 1.47 0.00 0.00 0.42 0.00 0.00 52.86 54.75 1wvk s ASN 24 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1wvk s ASN 24 CO 0.00 -0.68 0.00 0.18 -3.72 0.00 0.00 177.10 172.88 1wvk n LEU 25 N 6.28 0.00 0.00 3.21 4.77 -1.26 -4.92 117.00 125.09 1wvk n LEU 25 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1wvk n LEU 25 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1wvk n LEU 25 CO 0.53 -1.08 -0.19 -1.84 -1.33 0.00 0.00 177.39 173.47 1wvk n GLU 26 N -1.33 0.00 -3.83 3.23 0.28 -1.26 -4.43 120.64 113.29 1wvk n GLU 26 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1wvk n GLU 26 Cb 0.00 -0.20 -0.05 0.00 1.43 0.00 0.00 31.44 32.62 1wvk n GLU 26 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1wvk s LYS 27 N -2.00 3.51 0.00 3.44 3.01 -1.26 -4.99 119.74 121.45 1wvk s LYS 27 Ca 0.00 -0.21 0.15 0.00 -1.01 0.00 0.00 55.97 54.91 1wvk s LYS 27 Cb 0.00 -3.08 0.21 0.00 -1.01 0.00 0.00 37.83 33.95 1wvk s LYS 27 CO 0.00 0.66 1.09 0.00 0.51 0.00 0.00 175.35 177.61 1wvk n ALA 28 N 0.99 2.41 -2.00 5.17 0.00 -1.26 -4.99 120.51 120.83 1wvk n ALA 28 Ca -0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 1wvk n ALA 28 Cb 0.53 -0.54 0.02 0.00 0.00 0.00 0.00 19.45 19.46 1wvk n ALA 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wvk s LYS 29 N -1.19 3.37 -0.40 0.00 -2.85 -1.26 -4.99 119.74 112.42 1wvk s LYS 29 Ca 0.22 0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 55.37 1wvk s LYS 29 Cb 0.14 -2.17 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 1wvk s LYS 29 CO 0.20 -0.57 1.20 0.00 0.10 0.00 0.00 175.35 176.28 1wvk s ALA 30 N -3.08 3.24 -0.10 0.59 0.00 -1.26 -5.00 121.76 116.15 1wvk s ALA 30 Ca 0.53 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 1wvk s ALA 30 Cb -0.11 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1wvk s ALA 30 CO 0.50 -2.04 0.14 0.00 0.00 0.00 0.00 175.76 174.37 1wvk s ALA 31 N 4.45 3.88 -0.15 0.00 0.00 -1.26 -5.00 121.76 123.69 1wvk s ALA 31 Ca 0.51 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1wvk s ALA 31 Cb -0.11 -1.94 -0.15 0.00 0.00 0.00 0.00 23.12 20.92 1wvk s ALA 31 CO 0.27 0.64 3.28 0.41 0.00 0.00 0.00 175.76 180.36 1wvk n GLY 32 N 1.80 3.44 4.11 0.00 0.00 -1.26 -4.67 105.19 108.61 1wvk n GLY 32 Ca -0.18 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1wvk n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvk n LYS 33 N 1.91 0.00 0.00 1.61 4.76 -1.26 -4.57 118.16 120.61 1wvk n LYS 33 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1wvk n LYS 33 Cb 0.78 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1wvk n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wvk n GLY 34 N -1.80 -0.35 0.14 0.72 0.00 -1.26 -4.53 105.19 98.12 1wvk n GLY 34 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.48 1wvk n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wvk h SER 35 N 0.00 0.51 0.00 1.61 0.02 -1.60 -3.49 113.55 110.60 1wvk h SER 35 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1wvk h SER 35 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1wvk h SER 35 CO 0.00 1.83 0.00 1.67 -1.14 0.00 0.00 176.83 179.19 1wvk n GLN 36 N -3.54 0.00 -0.00 3.45 7.27 -1.26 -4.93 117.38 118.37 1wvk n GLN 36 Ca -0.29 0.00 0.09 0.00 0.07 0.00 0.00 57.00 56.87 1wvk n GLN 36 Cb 1.06 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.59 1wvk n GLN 36 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wvk n LEU 37 N -0.42 0.65 -4.52 1.69 7.94 -1.26 -4.82 117.00 116.26 1wvk n LEU 37 Ca 0.00 -0.38 -0.42 0.00 -1.11 0.00 0.00 56.01 54.10 1wvk n LEU 37 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1wvk n LEU 37 CO 0.00 0.16 0.90 -0.70 -1.11 0.00 0.00 177.39 176.65 1wvk s GLU 38 N -2.89 3.27 -0.11 1.96 2.12 -1.26 -4.94 118.70 116.85 1wvk s GLU 38 Ca 0.04 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1wvk s GLU 38 Cb 0.14 -4.12 0.10 0.00 0.26 0.00 0.00 34.13 30.50 1wvk s GLU 38 CO 0.77 -1.76 0.83 0.00 -0.54 0.00 0.00 175.26 174.55 1wvk s ALA 39 N 4.56 -1.85 -1.57 6.30 0.00 -1.26 -1.82 121.76 126.12 1wvk s ALA 39 Ca 0.31 1.46 0.21 0.00 0.00 0.00 0.00 51.96 53.93 1wvk s ALA 39 Cb -0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 1wvk s ALA 39 CO 0.17 -0.34 0.97 -1.71 0.00 0.00 0.00 175.76 174.84 1wvk n ASN 40 N 0.87 1.60 -3.99 0.00 5.15 -1.26 -4.72 115.26 112.90 1wvk n ASN 40 Ca -0.15 -1.30 -0.32 0.00 -0.60 0.00 0.00 54.58 52.21 1wvk n ASN 40 Cb 0.57 0.66 -0.12 0.00 -0.53 0.00 0.00 39.78 40.36 1wvk n ASN 40 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1wvk s LYS 41 N -2.52 2.28 0.51 1.20 -2.85 -1.26 -5.06 119.74 112.03 1wvk s LYS 41 Ca 0.14 -2.73 -0.18 0.00 -1.00 0.00 0.00 55.97 52.20 1wvk s LYS 41 Cb 0.16 -3.49 -0.08 0.00 -2.06 0.00 0.00 37.83 32.37 1wvk s LYS 41 CO 0.63 -1.16 1.00 -1.59 0.10 0.00 0.00 175.35 174.33 1wvk s LYS 42 N -0.44 3.87 -0.68 1.78 0.00 -1.26 -3.77 119.74 119.24 1wvk s LYS 42 Ca 0.19 1.09 0.00 0.00 0.00 0.00 0.00 55.97 57.24 1wvk s LYS 42 Cb -0.21 -2.12 0.00 0.00 0.00 0.00 0.00 37.83 35.50 1wvk s LYS 42 CO -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 175.35 174.98 1wvk n ALA 43 N -1.38 -0.10 -1.08 0.59 0.00 -1.26 -2.45 120.51 114.83 1wvk n ALA 43 Ca 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 1wvk n ALA 43 Cb 0.54 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.05 -1.03 0.00 0.00 2.81 -1.25 -4.83 117.12 111.78 1wvk n MET 44 Ca -0.06 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1wvk n MET 44 Cb 0.43 -4.30 0.00 0.00 -0.71 0.00 0.00 33.22 28.64 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 -0.38 0.00 -4.39 7.83 3.41 -1.02 -4.47 113.62 114.60 1wvk n SER 45 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.29 1wvk n SER 45 Cb 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 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 2.26 -0.00 -1.33 1.01 -0.63 -4.84 121.20 117.66 1wvk s ILE 46 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 60.65 58.98 1wvk s ILE 46 Cb 0.00 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1wvk s ILE 46 CO 0.00 0.10 -0.25 -1.58 0.00 0.00 0.00 174.94 173.21 1wvk s GLN 47 N -2.04 2.07 0.40 2.79 2.00 -1.25 -1.12 119.66 122.50 1wvk s GLN 47 Ca 0.14 -0.95 -0.23 0.00 -2.00 0.00 0.00 55.36 52.32 1wvk s GLN 47 Cb -0.10 -2.07 -0.10 0.00 0.80 0.00 0.00 33.01 31.54 1wvk s GLN 47 CO 0.06 0.55 0.97 0.00 -0.50 0.00 0.00 175.29 176.37 1wvk h LYS 49 N 2.37 0.42 -0.91 0.00 3.11 -1.20 -3.08 116.57 117.27 1wvk h LYS 49 Ca -0.48 -0.10 0.24 0.00 -2.81 0.00 0.00 60.65 57.50 1wvk h LYS 49 Cb 1.19 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 32.31 1wvk h LYS 49 CO 0.62 0.50 0.63 -0.24 -2.81 0.00 0.00 179.45 178.15 1wvk h VAL 50 N 0.27 0.60 0.00 2.00 3.04 -1.88 -3.42 116.25 116.85 1wvk h VAL 50 Ca 0.09 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1wvk h VAL 50 Cb 0.26 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1wvk h VAL 50 CO -0.00 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 1wvk n MET 52 N -1.89 0.00 -1.72 0.00 1.56 -1.17 -4.92 117.12 108.98 1wvk n MET 52 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1wvk n MET 52 Cb 0.00 0.00 0.09 0.00 2.15 0.00 0.00 33.22 35.46 1wvk n MET 52 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1wvk n GLN 53 N 0.00 -0.07 -4.14 2.12 1.13 -1.25 -4.64 117.38 110.53 1wvk n GLN 53 Ca 0.00 -1.65 -0.15 0.00 -1.94 0.00 0.00 57.00 53.26 1wvk n GLN 53 Cb 0.00 -0.52 -0.11 0.00 0.11 0.00 0.00 30.24 29.71 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 -2.10 0.88 0.09 5.09 -1.32 -1.26 0.33 115.64 117.34 1wvk s THR 54 Ca 0.44 -1.38 0.02 0.00 -1.21 0.00 0.00 61.69 59.56 1wvk s THR 54 Cb -0.02 -1.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1wvk s THR 54 CO 0.29 -0.41 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.86 1wvk s PHE 55 N -1.79 0.88 0.27 9.09 0.08 -0.28 -4.89 117.98 121.34 1wvk s PHE 55 Ca -0.01 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 55.99 1wvk s PHE 55 Cb -0.07 -0.50 -0.09 0.00 -0.57 0.00 0.00 43.02 41.78 1wvk s PHE 55 CO 0.01 -0.10 1.22 -1.50 -0.10 0.00 0.00 175.22 174.75 1wvk s ILE 56 N -2.82 3.19 -1.30 0.64 1.10 -1.26 -1.60 121.20 119.15 1wvk s ILE 56 Ca 0.05 1.13 -0.13 0.00 -0.51 0.00 0.00 60.65 61.19 1wvk s ILE 56 Cb -0.00 -3.72 0.13 0.00 0.15 0.00 0.00 42.46 39.02 1wvk s ILE 56 CO -0.02 0.24 1.81 0.00 -2.11 0.00 0.00 174.94 174.85 1wvk h THR 58 N 4.29 0.00 -2.74 0.00 1.35 -2.00 -3.44 112.91 110.36 1wvk h THR 58 Ca 0.42 -0.32 -0.07 0.00 -0.55 0.00 0.00 66.41 65.88 1wvk h THR 58 Cb 0.73 1.14 -0.17 0.00 -1.73 0.00 0.00 68.15 68.12 1wvk h THR 58 CO 1.55 0.00 -0.02 -0.89 -0.25 0.00 0.00 175.52 175.91 1wvk s THR 59 N -3.39 0.04 0.22 6.82 2.01 -1.26 -5.14 115.64 114.94 1wvk s THR 59 Ca 0.04 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1wvk s THR 59 Cb 0.09 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1wvk s THR 59 CO 0.44 -0.16 1.02 -0.44 -0.69 0.00 0.00 174.62 174.80 1wvk s SER 60 N -1.74 7.44 0.31 3.53 0.01 -1.26 -4.91 113.70 117.07 1wvk s SER 60 Ca -0.08 2.05 0.06 0.00 1.31 0.00 0.00 55.95 59.30 1wvk s SER 60 Cb -0.01 -2.61 0.74 0.00 0.21 0.00 0.00 66.02 64.35 1wvk s SER 60 CO 0.01 -0.04 1.80 -0.08 0.41 0.00 0.00 173.24 175.34 1wvk h GLU 61 N 4.48 0.75 -0.91 12.44 4.81 -1.98 -1.62 114.58 132.56 1wvk h GLU 61 Ca -0.45 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 58.87 1wvk h GLU 61 Cb 1.21 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 1wvk h GLU 61 CO 0.69 0.50 0.53 -0.39 -0.73 0.00 0.00 179.01 179.61 1wvk h VAL 62 N 0.78 0.82 -0.07 0.32 -1.51 -1.97 0.93 116.25 115.55 1wvk h VAL 62 Ca 0.55 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 65.59 1wvk h VAL 62 Cb 0.83 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 1wvk h VAL 62 CO -0.33 0.14 -0.63 0.50 -1.23 0.00 0.00 177.57 176.02 1wvk h LYS 63 N 0.79 0.26 -0.02 5.19 3.11 -1.69 -0.86 116.57 123.35 1wvk h LYS 63 Ca 0.48 -0.19 -0.15 0.00 -2.81 0.00 0.00 60.65 57.97 1wvk h LYS 63 Cb 0.58 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 1wvk h LYS 63 CO -0.31 0.81 -0.69 0.00 -2.81 0.00 0.00 179.45 176.45 1wvk h ARG 65 N 0.07 0.82 -0.39 0.00 2.43 0.13 0.18 114.38 117.62 1wvk h ARG 65 Ca -0.01 -0.21 0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1wvk h ARG 65 Cb 1.22 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1wvk h ARG 65 CO 0.10 0.80 0.09 0.93 -1.51 0.00 0.00 179.97 180.37 1wvk h GLU 66 N 0.70 0.21 0.00 0.20 5.08 -1.03 0.30 114.58 120.05 1wvk h GLU 66 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wvk h GLU 66 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wvk h GLU 66 CO 0.01 0.14 0.00 1.25 -1.00 0.00 0.00 179.01 179.41 1wvk h HIS 67 N 0.22 0.00 0.13 4.33 2.76 -1.44 -2.96 115.15 118.18 1wvk h HIS 67 Ca 0.19 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.02 1wvk h HIS 67 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1wvk h HIS 67 CO -0.19 0.00 -1.79 0.00 -1.30 0.00 0.00 177.93 174.65 1wvk h ALA 68 N 2.25 0.32 0.00 5.26 0.00 0.15 -2.60 119.26 124.64 1wvk h ALA 68 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 54.91 53.59 1wvk h ALA 68 Cb 0.66 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1wvk h ALA 68 CO 0.00 1.12 -0.21 0.93 0.00 0.00 0.00 179.25 181.10 1wvk h GLU 69 N -0.07 0.00 -0.00 0.00 4.39 -0.55 -1.77 114.58 116.58 1wvk h GLU 69 Ca -0.38 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.14 1wvk h GLU 69 Cb 1.94 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.58 1wvk h GLU 69 CO 0.08 0.21 -0.82 0.00 -1.16 0.00 0.00 179.01 177.31 1wvk h ALA 70 N 1.79 0.63 -3.00 3.43 0.00 -1.60 -3.47 119.26 117.04 1wvk h ALA 70 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1wvk h ALA 70 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wvk h ALA 70 CO 0.03 0.95 0.00 1.63 0.00 0.00 0.00 179.25 181.86 1wvk n LYS 71 N -3.63 0.00 -3.43 0.00 4.76 -0.67 -5.03 118.16 110.16 1wvk n LYS 71 Ca -0.02 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.27 1wvk n LYS 71 Cb 0.78 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.93 1wvk n LYS 71 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1wvk n HIS 72 N 0.00 -0.59 1.65 2.13 8.25 -1.18 -4.82 115.22 120.66 1wvk n HIS 72 Ca 0.00 0.24 0.15 0.00 -0.26 0.00 0.00 57.72 57.85 1wvk n HIS 72 Cb 0.00 -1.29 0.83 0.00 1.12 0.00 0.00 29.99 30.65 1wvk n HIS 72 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wvk n PRO 73 N -2.69 0.66 -3.15 -0.41 -0.05 -1.26 -4.63 135.00 123.47 1wvk n PRO 73 Ca -0.14 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.36 1wvk n PRO 73 Cb 0.31 -1.50 -0.01 0.00 -0.05 0.00 0.00 33.50 32.25 1wvk n PRO 73 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 1wvk s LYS 74 N -2.34 0.53 -0.25 0.54 -2.85 -1.26 -5.13 119.74 108.98 1wvk s LYS 74 Ca 0.36 0.91 -0.13 0.00 -1.00 0.00 0.00 55.97 56.11 1wvk s LYS 74 Cb 0.21 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.43 1wvk s LYS 74 CO 0.42 -0.60 0.28 0.00 0.10 0.00 0.00 175.35 175.55 1wvk s ALA 75 N 2.87 3.56 0.00 0.59 0.00 -1.26 -4.93 121.76 122.59 1wvk s ALA 75 Ca 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1wvk s ALA 75 Cb -0.14 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1wvk s ALA 75 CO -0.20 -0.46 0.00 -0.25 0.00 0.00 0.00 175.76 174.85 1wvk n ASP 76 N 4.87 0.00 0.04 0.00 9.92 -1.26 -4.04 116.55 126.08 1wvk n ASP 76 Ca -0.11 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.28 1wvk n ASP 76 Cb 0.51 0.00 0.45 0.00 -0.64 0.00 0.00 41.12 41.45 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 0.00 0.21 -0.48 2.53 0.24 -1.26 -2.28 118.33 117.30 1wvk n VAL 77 Ca 0.00 -0.11 0.10 0.00 -2.04 0.00 0.00 64.34 62.28 1wvk n VAL 77 Cb 0.00 -0.37 0.34 0.00 -1.47 0.00 0.00 33.84 32.34 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 -1.79 1.57 0.24 3.34 0.24 -1.26 -4.38 118.33 116.28 1wvk n VAL 78 Ca 0.06 -1.10 0.12 0.00 -2.04 0.00 0.00 64.34 61.38 1wvk n VAL 78 Cb 0.38 0.21 0.60 0.00 -1.47 0.00 0.00 33.84 33.56 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 4.18 1.00 0.00 2.33 0.00 -1.59 0.23 119.26 125.41 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 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wvk h ALA 79 CO 0.17 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1wvk n PHE 81 N -2.43 -2.51 0.28 0.00 1.16 0.79 -0.64 117.46 114.11 1wvk n PHE 81 Ca 0.04 -2.26 0.18 0.00 -1.87 0.00 0.00 57.45 53.54 1wvk n PHE 81 Cb 0.36 1.01 0.95 0.00 -1.61 0.00 0.00 39.48 40.19 1wvk n PHE 81 CO 0.00 0.00 0.00 -1.35 -1.87 0.00 0.00 176.76 173.54 1wvk h PRO 82 N 4.07 0.00 0.00 3.97 0.11 -1.67 -1.50 132.00 136.98 1wvk h PRO 82 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1wvk h PRO 82 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wvk h PRO 82 CO 0.35 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.86 1wvk n HIS 83 N -3.44 0.00 -0.64 0.65 8.25 -1.26 -2.74 115.22 116.04 1wvk n HIS 83 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1wvk n HIS 83 Cb 0.24 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.07 1.84 0.00 2.41 4.77 -0.56 -4.48 117.00 119.90 1wvk n LEU 84 Ca 0.15 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 1wvk n LEU 84 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1wvk n LEU 84 CO 0.13 0.53 0.17 1.17 -1.33 0.00 0.00 177.39 178.05 1wvk n LYS 85 N -0.80 0.00 0.00 3.23 0.00 -1.11 -5.09 118.16 114.39 1wvk n LYS 85 Ca 0.06 0.10 0.14 0.00 0.00 0.00 0.00 58.31 58.61 1wvk n LYS 85 Cb 0.46 -0.83 0.44 0.00 0.00 0.00 0.00 35.03 35.09 1wvk n LYS 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03