#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 -2.65 1.61 -0.00 -1.26 -4.90 115.22 108.01 1wvk n HIS 2 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1wvk n HIS 2 Cb 0.00 -2.69 -0.02 0.00 -0.00 0.00 0.00 29.99 27.29 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 -2.09 2.79 0.14 4.41 3.76 -1.26 -4.85 115.29 118.19 1wvk s HIS 3 Ca 0.00 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 1wvk s HIS 3 Cb 0.00 -4.63 0.00 0.00 1.11 0.00 0.00 32.58 29.06 1wvk s HIS 3 CO 0.00 -1.78 0.00 0.72 -0.85 0.00 0.00 174.74 172.83 1wvk n HIS 4 N 8.09 -2.56 -4.05 1.40 8.25 -1.26 -4.80 115.22 120.29 1wvk n HIS 4 Ca 0.38 0.74 -0.33 0.00 -0.26 0.00 0.00 57.72 58.25 1wvk n HIS 4 Cb 0.48 -1.32 -0.15 0.00 1.12 0.00 0.00 29.99 30.11 1wvk n HIS 4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wvk s HIS 5 N -1.21 2.92 0.00 4.41 0.09 -1.26 -4.90 115.29 115.33 1wvk s HIS 5 Ca 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 55.06 53.46 1wvk s HIS 5 Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 32.58 30.60 1wvk s HIS 5 CO 0.00 -0.76 0.00 0.72 -0.00 0.00 0.00 174.74 174.70 1wvk n HIS 6 N 4.64 0.00 -3.91 1.40 -0.00 -1.26 -5.11 115.22 110.97 1wvk n HIS 6 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.43 1wvk n HIS 6 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.37 1wvk n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 7 N -1.11 0.11 -0.03 4.41 4.02 -1.26 -5.07 115.29 116.37 1wvk s HIS 7 Ca 0.00 -0.25 -0.02 0.00 1.02 0.00 0.00 55.06 55.81 1wvk s HIS 7 Cb 0.00 -0.10 0.01 0.00 -1.02 0.00 0.00 32.58 31.47 1wvk s HIS 7 CO 0.00 -0.21 0.05 -0.11 1.02 0.00 0.00 174.74 175.49 1wvk n LEU 8 N 1.74 -4.64 0.00 0.89 7.94 -1.26 -5.08 117.00 116.59 1wvk n LEU 8 Ca -0.22 1.58 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1wvk n LEU 8 Cb 0.56 -2.33 0.00 0.00 0.53 0.00 0.00 43.42 42.17 1wvk n LEU 8 CO 0.21 -1.94 0.00 -0.62 -1.11 0.00 0.00 177.39 173.93 1wvk n GLU 9 N 1.05 0.00 0.00 1.96 1.02 -1.26 -5.07 120.64 118.34 1wvk n GLU 9 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1wvk n GLU 9 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wvk n GLY 10 N 3.41 -2.12 0.06 0.62 0.00 -1.26 -5.06 105.19 100.85 1wvk n GLY 10 Ca 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 46.02 47.01 1wvk n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wvk h GLY 11 N 0.00 -0.02 0.00 -0.02 0.00 -1.91 -3.47 103.07 97.65 1wvk h GLY 11 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1wvk h GLY 11 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1wvk n GLY 12 N 1.66 1.76 1.75 4.60 0.00 -1.26 -4.55 105.19 109.15 1wvk n GLY 12 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 1wvk n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wvk n ASN 13 N 1.55 -2.46 -1.42 1.61 4.05 -1.23 -5.12 115.26 112.23 1wvk n ASN 13 Ca 0.00 0.31 0.00 0.00 0.45 0.00 0.00 54.58 55.34 1wvk n ASN 13 Cb 0.00 -1.95 0.00 0.00 1.23 0.00 0.00 39.78 39.06 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wvk n ALA 14 N 0.27 0.00 -1.45 5.20 0.00 -1.24 -5.03 120.51 118.26 1wvk n ALA 14 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 1wvk n ALA 14 Cb 0.07 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.56 1wvk n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wvk n GLN 15 N -0.37 0.46 0.00 0.00 6.02 -1.26 -2.22 117.38 120.01 1wvk n GLN 15 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1wvk n GLN 15 Cb 0.00 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.62 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 0.08 0.00 -0.89 -1.09 4.01 -1.26 -4.51 118.16 114.50 1wvk n LYS 16 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1wvk n LYS 16 Cb 0.47 -0.08 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 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 1.74 -4.05 0.00 4.39 7.64 -0.94 -4.82 113.62 117.58 1wvk n SER 17 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wvk n SER 17 Cb 0.00 -2.79 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 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 1.00 0.00 0.40 -0.43 0.00 -1.26 -4.29 120.51 115.93 1wvk n ALA 18 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1wvk n ALA 18 Cb 0.31 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.09 1wvk n ALA 18 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1wvk h MET 19 N 0.00 0.00 0.00 0.00 -1.53 -1.88 -3.24 114.93 108.28 1wvk h MET 19 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1wvk h MET 19 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 1wvk h MET 19 CO 0.00 0.00 0.00 0.00 0.14 0.00 0.00 176.91 177.05 1wvk n ALA 20 N -1.95 2.46 -0.09 0.39 0.00 -1.26 -3.10 120.51 116.96 1wvk n ALA 20 Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1wvk n ALA 20 Cb 0.45 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1wvk n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wvk n ARG 21 N -0.75 0.40 -2.26 0.00 1.74 -1.22 -3.51 116.66 111.06 1wvk n ARG 21 Ca 0.11 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 1wvk n ARG 21 Cb 0.05 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wvk n ALA 22 N -3.43 -0.63 -1.17 7.54 0.00 -1.18 -0.52 120.51 121.12 1wvk n ALA 22 Ca -0.33 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1wvk n ALA 22 Cb 0.78 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.76 -1.00 0.21 0.00 4.81 -1.26 -4.87 118.16 113.29 1wvk n LYS 23 Ca -0.19 0.59 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 1wvk n LYS 23 Cb 0.63 -4.52 0.24 0.00 0.02 0.00 0.00 35.03 31.40 1wvk n LYS 23 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1wvk h ASN 24 N 0.00 0.00 -4.74 3.14 -1.24 -1.20 -3.46 115.58 108.07 1wvk h ASN 24 Ca -0.12 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.37 1wvk h ASN 24 Cb 0.67 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.59 1wvk h ASN 24 CO 0.17 0.12 -0.49 -0.76 -1.29 0.00 0.00 177.43 175.19 1wvk s LEU 25 N -6.31 1.87 0.00 0.34 1.43 -1.26 -4.72 118.68 110.03 1wvk s LEU 25 Ca 0.05 -1.76 -0.00 0.00 -1.03 0.00 0.00 54.13 51.39 1wvk s LEU 25 Cb 0.07 0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.59 1wvk s LEU 25 CO 0.66 -1.04 0.00 -0.62 0.23 0.00 0.00 176.35 175.59 1wvk n GLU 26 N -0.77 0.21 -3.43 1.70 1.02 -1.26 -5.00 120.64 113.11 1wvk n GLU 26 Ca 0.02 -0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1wvk n GLU 26 Cb 0.63 -0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.99 1wvk n GLU 26 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wvk s LYS 27 N -2.80 3.93 0.00 3.49 -0.14 -1.26 -4.98 119.74 117.98 1wvk s LYS 27 Ca 0.00 0.41 0.25 0.00 -1.36 0.00 0.00 55.97 55.28 1wvk s LYS 27 Cb -0.00 -3.00 0.46 0.00 -1.68 0.00 0.00 37.83 33.61 1wvk s LYS 27 CO 0.00 0.54 1.39 0.00 -0.76 0.00 0.00 175.35 176.51 1wvk n ALA 28 N 1.01 3.14 -3.60 5.17 0.00 -1.26 -4.93 120.51 120.04 1wvk n ALA 28 Ca -0.07 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 1wvk n ALA 28 Cb 0.52 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1wvk n ALA 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wvk s LYS 29 N -2.39 0.39 0.00 0.00 2.47 -1.26 -5.09 119.74 113.87 1wvk s LYS 29 Ca 0.24 0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.74 1wvk s LYS 29 Cb 0.19 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.75 1wvk s LYS 29 CO 0.50 -0.12 0.00 0.00 0.16 0.00 0.00 175.35 175.88 1wvk n ALA 30 N 0.64 0.94 -2.59 3.13 0.00 -1.26 -5.13 120.51 116.24 1wvk n ALA 30 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1wvk n ALA 30 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.03 3.66 0.00 0.00 0.00 -1.26 -5.10 121.76 118.02 1wvk s ALA 31 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wvk s ALA 31 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1wvk s ALA 31 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1wvk n GLY 32 N -1.58 4.39 3.60 0.00 0.00 -1.26 -5.08 105.19 105.26 1wvk n GLY 32 Ca -0.04 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1wvk n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wvk s LYS 33 N -1.33 3.14 0.00 1.61 2.20 -1.26 -3.82 119.74 120.27 1wvk s LYS 33 Ca 0.00 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1wvk s LYS 33 Cb 0.00 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 1wvk s LYS 33 CO 0.00 -2.10 0.00 0.41 -0.36 0.00 0.00 175.35 173.30 1wvk n GLY 34 N 5.72 1.54 6.47 5.54 0.00 -1.26 -5.10 105.19 118.11 1wvk n GLY 34 Ca 0.29 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 0.10 -5.93 -3.64 1.61 7.64 -1.25 -4.96 113.62 107.19 1wvk n SER 35 Ca 0.00 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.93 1wvk n SER 35 Cb 0.00 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 1wvk n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk s GLN 36 N -0.20 0.69 -0.60 1.43 -2.07 -1.26 -4.94 119.66 112.71 1wvk s GLN 36 Ca 0.00 1.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.59 1wvk s GLN 36 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1wvk s GLN 36 CO 0.00 -0.12 0.00 1.28 -1.32 0.00 0.00 175.29 175.13 1wvk n LEU 37 N 3.63 -0.03 -3.86 2.60 4.77 -1.26 -4.95 117.00 117.90 1wvk n LEU 37 Ca -0.18 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1wvk n LEU 37 Cb 0.57 -1.92 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 1wvk n LEU 37 CO 0.00 -0.68 -0.16 -0.70 -1.33 0.00 0.00 177.39 174.52 1wvk s GLU 38 N -2.08 0.47 -0.67 3.23 2.56 -1.26 -4.98 118.70 115.97 1wvk s GLU 38 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.97 54.57 1wvk s GLU 38 Cb 0.00 0.20 0.01 0.00 2.00 0.00 0.00 34.13 36.34 1wvk s GLU 38 CO 0.00 -0.11 0.65 0.00 -0.56 0.00 0.00 175.26 175.24 1wvk n ALA 39 N 1.58 -2.66 -2.85 6.30 0.00 -1.26 -4.92 120.51 116.71 1wvk n ALA 39 Ca -0.22 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1wvk n ALA 39 Cb 0.56 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1wvk n ALA 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wvk s ASN 40 N -2.76 6.22 0.31 0.00 -0.87 -1.26 -4.87 114.94 111.71 1wvk s ASN 40 Ca 0.09 -1.07 0.02 0.00 -1.57 0.00 0.00 52.86 50.33 1wvk s ASN 40 Cb -0.02 -2.42 0.58 0.00 -0.02 0.00 0.00 41.25 39.37 1wvk s ASN 40 CO 0.81 -1.43 1.91 0.07 -2.57 0.00 0.00 177.10 175.89 1wvk h LYS 41 N 9.53 0.94 0.00 -0.60 -0.00 -1.99 -3.45 116.57 120.99 1wvk h LYS 41 Ca -0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1wvk h LYS 41 Cb 1.06 -0.21 0.00 0.00 -0.00 0.00 0.00 32.23 33.08 1wvk h LYS 41 CO 1.18 0.62 0.00 1.63 -0.00 0.00 0.00 179.45 182.88 1wvk n LYS 42 N -4.50 0.00 -0.29 0.07 5.02 -1.26 -3.76 118.16 113.44 1wvk n LYS 42 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.39 1wvk n LYS 42 Cb 0.24 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.16 3.19 -0.80 7.82 0.00 -1.26 -4.79 120.51 126.83 1wvk n ALA 43 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1wvk n ALA 43 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.10 -0.16 0.00 0.00 2.81 -1.25 -4.83 117.12 113.79 1wvk n MET 44 Ca 0.13 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1wvk n MET 44 Cb 0.73 -3.56 0.00 0.00 -0.71 0.00 0.00 33.22 29.68 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 -0.08 0.00 -3.99 7.83 7.64 -1.26 -4.46 113.62 119.31 1wvk n SER 45 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1wvk n SER 45 Cb 0.04 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.00 0.81 -0.13 0.44 1.01 -0.66 -4.85 121.20 117.83 1wvk s ILE 46 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1wvk s ILE 46 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1wvk s ILE 46 CO 0.00 0.26 0.12 -1.58 0.00 0.00 0.00 174.94 173.75 1wvk s GLN 47 N 0.38 3.47 0.33 2.79 0.74 -1.25 -0.42 119.66 125.71 1wvk s GLN 47 Ca -0.06 -0.17 -0.26 0.00 0.05 0.00 0.00 55.36 54.91 1wvk s GLN 47 Cb -0.11 -3.17 -0.09 0.00 1.10 0.00 0.00 33.01 30.74 1wvk s GLN 47 CO 0.01 0.72 0.99 0.00 -0.55 0.00 0.00 175.29 176.46 1wvk h LYS 49 N 3.13 1.03 -0.49 0.00 3.11 -1.36 -3.15 116.57 118.84 1wvk h LYS 49 Ca -0.47 -0.06 0.10 0.00 -2.81 0.00 0.00 60.65 57.41 1wvk h LYS 49 Cb 1.20 -0.23 -0.10 0.00 -1.00 0.00 0.00 32.23 32.10 1wvk h LYS 49 CO 0.65 0.68 -0.19 -0.24 -2.81 0.00 0.00 179.45 177.53 1wvk h VAL 50 N 1.06 0.39 0.00 2.00 3.04 -1.88 -3.45 116.25 117.41 1wvk h VAL 50 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 1wvk h VAL 50 Cb 0.23 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1wvk h VAL 50 CO -0.16 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.40 1wvk n MET 52 N -2.73 0.19 -2.35 0.00 1.56 -1.23 -4.96 117.12 107.60 1wvk n MET 52 Ca 0.00 -0.29 -0.26 0.00 -0.27 0.00 0.00 57.70 56.88 1wvk n MET 52 Cb 0.00 0.29 0.15 0.00 2.15 0.00 0.00 33.22 35.81 1wvk n MET 52 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1wvk s GLN 53 N 0.02 1.12 0.05 2.12 -1.52 -1.25 -4.75 119.66 115.45 1wvk s GLN 53 Ca 0.01 -0.93 0.01 0.00 -1.95 0.00 0.00 55.36 52.50 1wvk s GLN 53 Cb 0.06 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.69 1wvk s GLN 53 CO -0.02 -1.93 -0.05 -0.08 -0.25 0.00 0.00 175.29 172.96 1wvk s THR 54 N -3.47 0.38 0.07 -0.19 -1.32 -1.26 -0.13 115.64 109.72 1wvk s THR 54 Ca 0.71 -1.37 0.04 0.00 -1.21 0.00 0.00 61.69 59.85 1wvk s THR 54 Cb -0.04 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 1wvk s THR 54 CO 0.48 -0.66 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.77 1wvk s PHE 55 N -2.44 1.01 0.40 9.09 0.08 0.44 -4.89 117.98 121.68 1wvk s PHE 55 Ca -0.03 -0.53 -0.24 0.00 0.12 0.00 0.00 56.93 56.25 1wvk s PHE 55 Cb -0.03 -0.57 -0.09 0.00 -0.57 0.00 0.00 43.02 41.76 1wvk s PHE 55 CO -0.03 -0.00 1.04 -1.50 -0.10 0.00 0.00 175.22 174.63 1wvk s ILE 56 N -1.65 3.77 -1.25 0.64 1.10 -1.26 -1.65 121.20 120.91 1wvk s ILE 56 Ca -0.02 1.33 -0.17 0.00 -0.51 0.00 0.00 60.65 61.28 1wvk s ILE 56 Cb -0.08 -3.68 -0.01 0.00 0.15 0.00 0.00 42.46 38.84 1wvk s ILE 56 CO 0.01 -0.01 2.04 0.00 -2.11 0.00 0.00 174.94 174.87 1wvk n THR 58 N 5.77 0.00 -3.63 0.00 5.66 -1.26 -4.81 114.28 116.01 1wvk n THR 58 Ca 0.50 -0.08 -0.14 0.00 -3.05 0.00 0.00 64.05 61.28 1wvk n THR 58 Cb 0.41 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 69.08 1wvk n THR 58 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wvk s THR 59 N -2.32 0.00 0.26 1.09 2.01 -1.26 -5.15 115.64 110.27 1wvk s THR 59 Ca 0.33 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1wvk s THR 59 Cb 0.20 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 1wvk s THR 59 CO 0.44 0.00 1.07 -0.94 -0.69 0.00 0.00 174.62 174.49 1wvk s SER 60 N 0.33 7.34 0.41 3.53 1.04 -1.26 -4.92 113.70 120.18 1wvk s SER 60 Ca -0.00 2.18 0.17 0.00 0.48 0.00 0.00 55.95 58.77 1wvk s SER 60 Cb -0.05 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.51 1wvk s SER 60 CO 0.01 -0.09 1.87 1.05 0.98 0.00 0.00 173.24 177.05 1wvk h GLU 61 N 4.09 0.42 -0.50 4.02 4.11 -1.98 -0.24 114.58 124.49 1wvk h GLU 61 Ca -0.46 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 58.83 1wvk h GLU 61 Cb 1.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1wvk h GLU 61 CO 0.68 0.28 -0.13 0.28 0.07 0.00 0.00 179.01 180.19 1wvk h VAL 62 N 0.43 1.27 -0.11 -1.06 2.07 -1.98 0.19 116.25 117.06 1wvk h VAL 62 Ca 0.45 -1.26 -0.18 0.00 0.82 0.00 0.00 66.70 66.52 1wvk h VAL 62 Cb 1.08 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1wvk h VAL 62 CO -0.17 0.44 -0.70 0.50 0.02 0.00 0.00 177.57 177.66 1wvk h LYS 63 N 0.84 0.49 0.00 1.57 3.11 -1.44 -2.27 116.57 118.86 1wvk h LYS 63 Ca 0.13 -0.38 -0.11 0.00 -2.81 0.00 0.00 60.65 57.48 1wvk h LYS 63 Cb 0.67 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 1wvk h LYS 63 CO 0.05 1.01 -0.53 0.00 -2.81 0.00 0.00 179.45 177.16 1wvk h ARG 65 N 0.00 -0.34 -0.01 0.00 2.43 -0.06 0.15 114.38 116.54 1wvk h ARG 65 Ca -0.01 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1wvk h ARG 65 Cb 1.14 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1wvk h ARG 65 CO 0.07 -0.23 -0.45 1.05 -1.51 0.00 0.00 179.97 178.90 1wvk h GLU 66 N -0.36 0.02 -0.45 0.20 4.11 -1.52 0.32 114.58 116.90 1wvk h GLU 66 Ca -0.03 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.28 1wvk h GLU 66 Cb 0.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1wvk h GLU 66 CO 0.04 0.47 -0.14 1.25 0.07 0.00 0.00 179.01 180.70 1wvk h HIS 67 N 0.02 0.94 -0.28 2.06 2.76 -1.39 -2.56 115.15 116.69 1wvk h HIS 67 Ca -0.00 -0.19 -0.13 0.00 -2.20 0.00 0.00 60.37 57.85 1wvk h HIS 67 Cb 0.80 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1wvk h HIS 67 CO 0.00 0.92 -0.34 0.00 -1.30 0.00 0.00 177.93 177.21 1wvk h ALA 68 N 1.09 0.42 0.00 5.26 0.00 -0.10 -2.93 119.26 122.99 1wvk h ALA 68 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wvk h ALA 68 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wvk h ALA 68 CO 0.05 0.48 0.00 0.93 0.00 0.00 0.00 179.25 180.71 1wvk h GLU 69 N 0.47 0.00 0.00 0.00 4.39 -0.81 0.33 114.58 118.96 1wvk h GLU 69 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1wvk h GLU 69 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1wvk h GLU 69 CO 0.08 0.00 -0.25 0.00 -1.16 0.00 0.00 179.01 177.68 1wvk n ALA 70 N -1.96 2.81 -1.00 3.43 0.00 -0.98 -4.84 120.51 117.96 1wvk n ALA 70 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1wvk n ALA 70 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.68 0.00 -4.29 0.00 4.76 0.94 -5.06 118.16 112.82 1wvk n LYS 71 Ca 0.06 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 1wvk n LYS 71 Cb 0.36 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.47 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 -0.52 -1.34 -0.02 2.13 1.44 0.01 -4.90 115.22 112.03 1wvk n HIS 72 Ca 0.00 0.66 -0.17 0.00 -2.01 0.00 0.00 57.72 56.20 1wvk n HIS 72 Cb 0.00 -2.81 -0.08 0.00 0.12 0.00 0.00 29.99 27.21 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1wvk h PRO 73 N -1.63 0.66 -1.57 -1.40 0.14 -1.95 -3.44 132.00 122.81 1wvk h PRO 73 Ca -0.64 -0.55 0.09 0.00 0.14 0.00 0.00 66.00 65.03 1wvk h PRO 73 Cb 1.39 0.12 -0.21 0.00 0.14 0.00 0.00 31.00 32.45 1wvk h PRO 73 CO 0.73 1.17 -0.17 -1.59 0.14 0.00 0.00 178.00 178.28 1wvk s LYS 74 N -3.66 0.56 -0.06 0.86 -2.85 -1.26 -5.03 119.74 108.31 1wvk s LYS 74 Ca -0.11 1.25 -0.25 0.00 -1.00 0.00 0.00 55.97 55.86 1wvk s LYS 74 Cb 0.07 0.74 -0.20 0.00 -2.06 0.00 0.00 37.83 36.38 1wvk s LYS 74 CO 0.87 -0.35 1.02 0.00 0.10 0.00 0.00 175.35 176.99 1wvk h ALA 75 N 7.98 -0.08 -0.95 0.59 0.00 -1.89 -3.46 119.26 121.45 1wvk h ALA 75 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wvk h ALA 75 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wvk h ALA 75 CO 0.16 -0.22 0.00 -3.47 0.00 0.00 0.00 179.25 175.72 1wvk n ASP 76 N -4.83 0.00 0.07 0.00 -0.08 -1.26 -0.42 116.55 110.03 1wvk n ASP 76 Ca -0.08 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.31 1wvk n ASP 76 Cb 0.30 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wvk n VAL 77 N 0.00 0.43 -0.83 5.18 0.24 -1.26 -3.33 118.33 118.76 1wvk n VAL 77 Ca 0.00 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1wvk n VAL 77 Cb 0.00 -0.20 0.36 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.50 2.41 0.24 3.34 0.24 0.43 -4.43 118.33 118.08 1wvk n VAL 78 Ca -0.01 -1.43 0.07 0.00 -2.04 0.00 0.00 64.34 60.93 1wvk n VAL 78 Cb 0.54 -0.15 0.31 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.56 1.31 0.48 2.33 0.00 -1.20 0.14 120.51 124.12 1wvk n ALA 79 Ca 0.26 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1wvk n ALA 79 Cb 1.05 -1.21 0.44 0.00 0.00 0.00 0.00 19.45 19.74 1wvk n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk n PHE 81 N -2.39 -2.52 0.29 0.00 1.16 0.12 -0.96 117.46 113.16 1wvk n PHE 81 Ca 0.04 -2.26 0.16 0.00 -1.87 0.00 0.00 57.45 53.52 1wvk n PHE 81 Cb 0.35 1.04 0.78 0.00 -1.61 0.00 0.00 39.48 40.04 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 3.99 0.00 -0.03 3.97 0.11 -1.68 -2.20 132.00 136.17 1wvk h PRO 82 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 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 0.36 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.87 1wvk n HIS 83 N -2.68 0.03 0.09 0.65 8.25 -1.26 -3.11 115.22 117.19 1wvk n HIS 83 Ca -0.01 -0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1wvk n HIS 83 Cb 0.14 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.61 1.86 -4.74 2.41 4.77 -0.83 -4.07 117.00 115.78 1wvk n LEU 84 Ca 0.14 -1.42 -0.35 0.00 -0.03 0.00 0.00 56.01 54.35 1wvk n LEU 84 Cb 0.10 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1wvk n LEU 84 CO 0.10 0.43 0.80 -0.75 -1.33 0.00 0.00 177.39 176.65 1wvk s LYS 85 N -0.67 2.59 0.00 3.23 2.47 -1.18 -5.01 119.74 121.16 1wvk s LYS 85 Ca 0.08 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 56.19 1wvk s LYS 85 Cb 0.05 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.53 1wvk s LYS 85 CO 0.07 -1.48 0.02 0.36 0.16 0.00 0.00 175.35 174.48