#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 -0.00 0.17 1.61 2.46 -1.26 -5.08 115.29 113.19 1wvk s HIS 2 Ca 0.00 0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1wvk s HIS 2 Cb 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.18 1wvk s HIS 2 CO 0.00 -0.13 0.00 1.58 -2.47 0.00 0.00 174.74 173.72 1wvk n HIS 3 N 4.46 -2.01 -1.88 3.88 -0.00 -1.26 -4.87 115.22 113.54 1wvk n HIS 3 Ca -0.22 1.05 -0.42 0.00 -0.00 0.00 0.00 57.72 58.13 1wvk n HIS 3 Cb 0.50 -2.39 -0.03 0.00 -0.00 0.00 0.00 29.99 28.08 1wvk n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 4 N -1.54 1.97 0.15 1.57 0.09 -1.26 -4.97 115.29 111.30 1wvk s HIS 4 Ca 0.00 0.07 -0.18 0.00 -0.00 0.00 0.00 55.06 54.95 1wvk s HIS 4 Cb 0.00 -4.03 0.04 0.00 -0.00 0.00 0.00 32.58 28.59 1wvk s HIS 4 CO 0.00 -4.32 0.47 -3.38 -0.00 0.00 0.00 174.74 167.51 1wvk s HIS 5 N 3.59 -0.24 0.13 1.40 0.00 -1.26 -5.10 115.29 113.81 1wvk s HIS 5 Ca 0.78 -0.06 0.00 0.00 -3.00 0.00 0.00 55.06 52.77 1wvk s HIS 5 Cb -0.38 0.35 0.00 0.00 -4.00 0.00 0.00 32.58 28.55 1wvk s HIS 5 CO 0.34 -0.79 0.00 0.72 -1.00 0.00 0.00 174.74 174.01 1wvk n HIS 6 N -0.29 -1.30 -3.59 0.38 -0.00 -1.26 -4.93 115.22 104.22 1wvk n HIS 6 Ca -0.14 0.65 -0.13 0.00 -0.00 0.00 0.00 57.72 58.09 1wvk n HIS 6 Cb 0.64 -1.18 -0.06 0.00 -0.00 0.00 0.00 29.99 29.38 1wvk n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1wvk s HIS 7 N -1.57 -0.61 0.01 4.41 5.65 -0.96 -4.10 115.29 118.12 1wvk s HIS 7 Ca 0.00 1.30 -0.02 0.00 0.25 0.00 0.00 55.06 56.59 1wvk s HIS 7 Cb 0.00 0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.75 1wvk s HIS 7 CO 0.00 -0.40 1.03 1.25 -0.65 0.00 0.00 174.74 175.97 1wvk h LEU 8 N 3.83 -0.09 -8.71 8.88 5.85 -1.59 -2.42 115.31 121.07 1wvk h LEU 8 Ca -0.26 0.01 -0.62 0.00 0.84 0.00 0.00 57.88 57.84 1wvk h LEU 8 Cb 1.16 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.10 1wvk h LEU 8 CO 0.20 -0.04 0.36 -0.70 -0.34 0.00 0.00 178.44 177.92 1wvk s GLU 9 N -3.17 3.57 0.00 1.25 2.12 -1.26 -3.50 118.70 117.70 1wvk s GLU 9 Ca -0.01 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1wvk s GLU 9 Cb 0.00 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1wvk s GLU 9 CO 0.04 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.18 1wvk n GLY 10 N 4.78 1.27 5.00 -1.50 0.00 -1.26 -4.89 105.19 108.59 1wvk n GLY 10 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.07 1.06 2.16 -0.02 0.00 -0.91 -4.74 105.19 102.67 1wvk n GLY 11 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 3.04 5.38 -0.02 0.00 -1.26 -2.26 105.19 110.07 1wvk n GLY 12 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 2.89 -4.88 -3.61 1.61 4.05 -1.26 -4.89 115.26 109.17 1wvk n ASN 13 Ca 0.45 0.31 0.00 0.00 0.45 0.00 0.00 54.58 55.80 1wvk n ASN 13 Cb 0.64 -0.88 -0.01 0.00 1.23 0.00 0.00 39.78 40.76 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wvk s ALA 14 N -1.77 -2.32 1.10 5.20 0.00 -1.26 -4.55 121.76 118.16 1wvk s ALA 14 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1wvk s ALA 14 Cb 0.00 -0.13 0.24 0.00 0.00 0.00 0.00 23.12 23.23 1wvk s ALA 14 CO 0.00 -0.76 1.17 -0.65 0.00 0.00 0.00 175.76 175.52 1wvk s GLN 15 N -2.06 -0.40 -1.60 0.00 -0.21 -1.26 -3.94 119.66 110.19 1wvk s GLN 15 Ca 0.13 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.30 1wvk s GLN 15 Cb 0.03 -1.69 0.10 0.00 1.00 0.00 0.00 33.01 32.44 1wvk s GLN 15 CO -0.04 -3.16 0.68 0.36 -2.12 0.00 0.00 175.29 171.01 1wvk n LYS 16 N -4.36 -3.38 0.00 2.91 2.85 -1.26 -4.73 118.16 110.19 1wvk n LYS 16 Ca 0.13 0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 1wvk n LYS 16 Cb 0.59 -4.93 0.00 0.00 -0.65 0.00 0.00 35.03 30.04 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wvk n SER 17 N -2.78 0.00 0.40 -5.58 7.64 -1.25 -2.11 113.62 109.94 1wvk n SER 17 Ca -0.05 0.24 -0.17 0.00 1.01 0.00 0.00 58.87 59.90 1wvk n SER 17 Cb 0.56 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.72 -1.05 0.00 -0.43 0.00 -1.93 -3.29 119.26 114.29 1wvk h ALA 18 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wvk h ALA 18 Cb 0.08 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wvk h ALA 18 CO 0.00 -0.99 -1.05 -1.33 0.00 0.00 0.00 179.25 175.87 1wvk n MET 19 N -5.48 0.48 0.04 0.00 2.81 -1.05 -4.20 117.12 109.73 1wvk n MET 19 Ca -0.13 -0.02 0.10 0.00 -1.81 0.00 0.00 57.70 55.83 1wvk n MET 19 Cb 0.42 -1.44 0.41 0.00 -0.71 0.00 0.00 33.22 31.90 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wvk n ALA 20 N -1.55 1.80 1.51 3.04 0.00 -0.90 -2.04 120.51 122.37 1wvk n ALA 20 Ca 0.03 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1wvk n ALA 20 Cb 0.33 -1.33 0.57 0.00 0.00 0.00 0.00 19.45 19.03 1wvk n ALA 20 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wvk n ARG 21 N -1.76 1.27 -1.95 0.00 -4.01 -1.24 -4.42 116.66 104.55 1wvk n ARG 21 Ca 0.04 -0.64 -0.41 0.00 -1.04 0.00 0.00 57.85 55.81 1wvk n ARG 21 Cb 0.23 -1.49 -0.03 0.00 -3.04 0.00 0.00 32.46 28.13 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wvk s ALA 22 N -2.16 2.48 0.11 2.89 0.00 -0.86 -4.23 121.76 119.98 1wvk s ALA 22 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1wvk s ALA 22 Cb 0.21 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1wvk s ALA 22 CO 0.40 -3.28 0.00 1.63 0.00 0.00 0.00 175.76 174.50 1wvk n LYS 23 N 8.77 -3.69 -3.76 0.00 4.76 -1.26 -4.71 118.16 118.27 1wvk n LYS 23 Ca 0.24 2.79 -0.13 0.00 -2.87 0.00 0.00 58.31 58.35 1wvk n LYS 23 Cb 0.49 -2.98 -0.13 0.00 -1.84 0.00 0.00 35.03 30.58 1wvk n LYS 23 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wvk s ASN 24 N -0.36 -0.22 -0.36 4.39 2.20 -1.26 -1.88 114.94 117.44 1wvk s ASN 24 Ca 0.00 0.45 -0.08 0.00 -0.94 0.00 0.00 52.86 52.29 1wvk s ASN 24 Cb 0.00 0.38 0.01 0.00 -2.00 0.00 0.00 41.25 39.64 1wvk s ASN 24 CO 0.00 -0.13 0.30 0.18 -2.94 0.00 0.00 177.10 174.51 1wvk n LEU 25 N 3.77 -7.80 -4.81 3.54 4.77 -1.25 -4.85 117.00 110.37 1wvk n LEU 25 Ca -0.21 0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 56.40 1wvk n LEU 25 Cb 0.55 -3.31 -0.06 0.00 -2.33 0.00 0.00 43.42 38.27 1wvk n LEU 25 CO 0.17 -2.72 0.66 -0.70 -1.33 0.00 0.00 177.39 173.47 1wvk s GLU 26 N -2.10 4.20 0.00 3.23 2.56 -1.26 -4.99 118.70 120.33 1wvk s GLU 26 Ca 0.13 1.19 0.00 0.00 0.00 0.00 0.00 54.97 56.28 1wvk s GLU 26 Cb -0.03 -2.24 0.00 0.00 2.00 0.00 0.00 34.13 33.86 1wvk s GLU 26 CO 0.76 -0.06 0.00 1.63 -0.56 0.00 0.00 175.26 177.03 1wvk n LYS 27 N -0.56 0.00 -3.45 4.30 4.76 -1.26 -5.07 118.16 116.89 1wvk n LYS 27 Ca 0.07 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.30 1wvk n LYS 27 Cb 0.53 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.61 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wvk s ALA 28 N -2.00 -0.12 -0.07 7.82 0.00 -1.26 -5.12 121.76 121.02 1wvk s ALA 28 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1wvk s ALA 28 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1wvk s ALA 28 CO 0.00 -1.69 0.15 -1.59 0.00 0.00 0.00 175.76 172.64 1wvk s LYS 29 N 2.28 3.42 -0.12 0.00 -2.85 -1.26 -5.07 119.74 116.14 1wvk s LYS 29 Ca 0.09 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.53 1wvk s LYS 29 Cb -0.15 -3.13 -0.02 0.00 -2.06 0.00 0.00 37.83 32.48 1wvk s LYS 29 CO -0.34 0.73 1.10 0.00 0.10 0.00 0.00 175.35 176.94 1wvk s ALA 30 N -1.17 3.51 -0.27 0.59 0.00 -1.26 -5.00 121.76 118.15 1wvk s ALA 30 Ca 0.21 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1wvk s ALA 30 Cb -0.12 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.58 1wvk s ALA 30 CO 0.11 -0.79 0.03 0.00 0.00 0.00 0.00 175.76 175.11 1wvk s ALA 31 N 2.43 1.81 0.24 0.00 0.00 -1.26 -4.89 121.76 120.09 1wvk s ALA 31 Ca 0.51 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1wvk s ALA 31 Cb -0.20 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1wvk s ALA 31 CO 0.17 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.90 1wvk n GLY 32 N 4.73 -1.76 3.24 0.00 0.00 -1.26 -5.14 105.19 104.99 1wvk n GLY 32 Ca -0.05 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.00 -0.55 -2.46 1.61 4.76 -1.26 -4.94 118.16 112.33 1wvk n LYS 33 Ca 0.00 -2.00 -0.39 0.00 -2.87 0.00 0.00 58.31 53.05 1wvk n LYS 33 Cb 0.00 -0.85 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1wvk n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wvk s GLY 34 N -5.06 1.22 -0.56 0.72 0.00 -1.26 -4.92 107.32 97.46 1wvk s GLY 34 Ca 0.59 -2.56 -0.28 0.00 0.00 0.00 0.00 44.72 42.47 1wvk s GLY 34 CO 0.41 2.91 1.30 -1.35 0.00 0.00 0.00 173.10 176.37 1wvk s SER 35 N 5.00 6.30 0.00 1.64 1.04 -1.26 -4.81 113.70 121.62 1wvk s SER 35 Ca 0.56 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1wvk s SER 35 Cb 0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wvk s SER 35 CO 0.05 -1.58 0.00 0.00 0.98 0.00 0.00 173.24 172.69 1wvk n GLN 36 N 8.51 0.00 -0.12 4.02 6.02 -1.26 -4.96 117.38 129.59 1wvk n GLN 36 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.95 1wvk n GLN 36 Cb 0.49 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.61 1wvk n GLN 36 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wvk n LEU 37 N -1.56 1.70 -2.68 1.08 4.32 -1.26 -5.08 117.00 113.52 1wvk n LEU 37 Ca 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 56.01 55.88 1wvk n LEU 37 Cb 0.00 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.48 1wvk n LEU 37 CO 0.00 0.74 -0.58 1.21 -1.22 0.00 0.00 177.39 177.54 1wvk n GLU 38 N -3.03 -3.99 0.00 3.23 2.13 -1.26 -5.01 120.64 112.70 1wvk n GLU 38 Ca -0.40 3.09 0.00 0.00 0.66 0.00 0.00 57.16 60.51 1wvk n GLU 38 Cb 1.06 -5.20 0.00 0.00 0.27 0.00 0.00 31.44 27.57 1wvk n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wvk n ALA 39 N 1.19 0.26 -0.26 4.31 0.00 -1.26 -4.88 120.51 119.87 1wvk n ALA 39 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1wvk n ALA 39 Cb 0.31 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.94 1wvk n ALA 39 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wvk h ASN 40 N 0.00 -0.20 -0.14 0.00 -1.07 -2.05 -3.15 115.58 108.97 1wvk h ASN 40 Ca 0.00 0.18 -0.19 0.00 0.07 0.00 0.00 56.30 56.36 1wvk h ASN 40 Cb 0.00 0.29 -0.35 0.00 -2.07 0.00 0.00 38.32 36.19 1wvk h ASN 40 CO 0.00 -0.14 -0.99 2.29 0.07 0.00 0.00 177.43 178.66 1wvk n LYS 41 N -5.28 0.78 -0.06 4.14 2.85 -1.26 -4.82 118.16 114.52 1wvk n LYS 41 Ca 0.15 -2.62 0.04 0.00 -1.05 0.00 0.00 58.31 54.82 1wvk n LYS 41 Cb 0.49 -0.69 0.16 0.00 -0.65 0.00 0.00 35.03 34.35 1wvk n LYS 41 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1wvk n LYS 42 N -0.01 1.29 -0.01 -1.58 2.85 -1.19 -2.44 118.16 117.08 1wvk n LYS 42 Ca 0.09 -0.45 0.12 0.00 -1.05 0.00 0.00 58.31 57.03 1wvk n LYS 42 Cb 1.00 -1.16 0.16 0.00 -0.65 0.00 0.00 35.03 34.39 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 -0.19 2.47 -3.02 0.58 0.00 -1.26 -5.00 120.51 114.09 1wvk n ALA 43 Ca 0.07 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1wvk n ALA 43 Cb 0.12 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 1.20 -2.12 0.00 0.00 2.81 -1.02 -4.99 117.12 113.00 1wvk n MET 44 Ca 0.15 1.87 0.00 0.00 -1.81 0.00 0.00 57.70 57.91 1wvk n MET 44 Cb 0.57 -5.02 0.00 0.00 -0.71 0.00 0.00 33.22 28.06 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 -0.61 0.00 -4.00 7.83 7.64 -1.26 -4.82 113.62 118.40 1wvk n SER 45 Ca 0.05 0.84 -0.24 0.00 1.01 0.00 0.00 58.87 60.54 1wvk n SER 45 Cb 0.51 -0.37 -0.17 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.39 1.04 -0.18 0.44 1.01 -0.57 -4.84 121.20 115.72 1wvk s ILE 46 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1wvk s ILE 46 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1wvk s ILE 46 CO 0.00 0.34 0.22 -1.58 0.00 0.00 0.00 174.94 173.91 1wvk s GLN 47 N 0.72 4.21 0.01 2.79 0.74 -1.25 -0.44 119.66 126.44 1wvk s GLN 47 Ca -0.14 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1wvk s GLN 47 Cb -0.16 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 1wvk s GLN 47 CO 0.03 0.28 1.56 0.00 -0.55 0.00 0.00 175.29 176.61 1wvk h LYS 49 N 8.49 0.21 -0.03 0.00 3.11 -0.96 -1.82 116.57 125.58 1wvk h LYS 49 Ca -0.40 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.44 1wvk h LYS 49 Cb 1.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1wvk h LYS 49 CO 0.93 0.14 0.05 -0.39 -2.81 0.00 0.00 179.45 177.37 1wvk h VAL 50 N 0.22 0.30 0.00 2.00 -1.51 -1.83 -3.44 116.25 111.99 1wvk h VAL 50 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.98 1wvk h VAL 50 Cb 1.63 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1wvk h VAL 50 CO -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.20 1wvk n MET 52 N -0.53 0.67 -1.89 0.00 1.56 -1.14 -4.86 117.12 110.92 1wvk n MET 52 Ca 0.00 -0.83 -0.19 0.00 -0.27 0.00 0.00 57.70 56.42 1wvk n MET 52 Cb 0.00 0.37 0.11 0.00 2.15 0.00 0.00 33.22 35.85 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 -0.76 -0.22 -3.88 2.12 1.13 -1.24 -4.75 117.38 109.79 1wvk n GLN 53 Ca -0.15 -1.90 -0.11 0.00 -1.94 0.00 0.00 57.00 52.90 1wvk n GLN 53 Cb 0.71 -0.64 -0.10 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.51 0.08 0.14 5.09 -1.32 -1.26 0.20 115.64 116.07 1wvk s THR 54 Ca 0.51 -0.66 0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1wvk s THR 54 Cb -0.02 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1wvk s THR 54 CO 0.35 -0.36 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.85 1wvk s PHE 55 N -1.29 1.73 0.24 9.09 0.08 0.42 -4.89 117.98 123.36 1wvk s PHE 55 Ca -0.14 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.14 1wvk s PHE 55 Cb -0.07 -0.89 -0.09 0.00 -0.57 0.00 0.00 43.02 41.40 1wvk s PHE 55 CO 0.01 0.26 0.96 -1.50 -0.10 0.00 0.00 175.22 174.85 1wvk s ILE 56 N -1.83 4.02 -1.37 0.64 1.10 -1.26 -1.51 121.20 120.99 1wvk s ILE 56 Ca 0.12 2.02 -0.15 0.00 -0.51 0.00 0.00 60.65 62.12 1wvk s ILE 56 Cb -0.07 -4.28 0.07 0.00 0.15 0.00 0.00 42.46 38.33 1wvk s ILE 56 CO 0.05 0.47 1.96 0.00 -2.11 0.00 0.00 174.94 175.32 1wvk n THR 58 N 5.49 0.07 -3.67 0.00 5.66 -1.26 -4.86 114.28 115.71 1wvk n THR 58 Ca 0.49 -0.34 -0.12 0.00 -3.05 0.00 0.00 64.05 61.03 1wvk n THR 58 Cb 0.42 0.68 -0.08 0.00 -1.55 0.00 0.00 70.33 69.79 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 -1.93 -0.00 0.21 1.09 2.01 -1.26 -5.15 115.64 110.60 1wvk s THR 59 Ca 0.35 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1wvk s THR 59 Cb 0.20 -0.83 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1wvk s THR 59 CO 0.31 0.00 0.99 -0.44 -0.69 0.00 0.00 174.62 174.79 1wvk s SER 60 N 0.65 7.52 0.55 3.53 0.01 -1.26 -4.93 113.70 119.76 1wvk s SER 60 Ca -0.03 1.97 0.31 0.00 1.31 0.00 0.00 55.95 59.52 1wvk s SER 60 Cb -0.05 -2.61 1.48 0.00 0.21 0.00 0.00 66.02 65.05 1wvk s SER 60 CO -0.04 0.02 1.88 -0.08 0.41 0.00 0.00 173.24 175.43 1wvk h GLU 61 N 4.56 0.00 -0.05 12.44 4.81 -1.98 0.16 114.58 134.51 1wvk h GLU 61 Ca -0.45 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 1wvk h GLU 61 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1wvk h GLU 61 CO 0.69 0.00 -0.64 0.28 -0.73 0.00 0.00 179.01 178.61 1wvk h VAL 62 N 0.00 1.41 -0.27 0.32 2.07 -1.96 0.19 116.25 118.01 1wvk h VAL 62 Ca 0.40 -2.08 -0.19 0.00 0.82 0.00 0.00 66.70 65.64 1wvk h VAL 62 Cb 1.65 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1wvk h VAL 62 CO -0.00 0.61 -0.57 0.50 0.02 0.00 0.00 177.57 178.12 1wvk h LYS 63 N 0.15 0.84 -0.70 1.57 1.63 -1.09 -2.17 116.57 116.81 1wvk h LYS 63 Ca -0.01 -0.55 -0.03 0.00 -0.85 0.00 0.00 60.65 59.21 1wvk h LYS 63 Cb 1.16 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 1wvk h LYS 63 CO 0.10 1.18 0.31 0.00 -3.45 0.00 0.00 179.45 177.59 1wvk h ARG 65 N 1.00 -0.20 -0.74 0.00 2.43 -0.04 0.14 114.38 116.96 1wvk h ARG 65 Ca 0.24 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1wvk h ARG 65 Cb 0.15 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1wvk h ARG 65 CO -0.03 -0.14 0.38 1.05 -1.51 0.00 0.00 179.97 179.73 1wvk h GLU 66 N -0.21 1.04 0.01 0.20 4.11 -1.34 -0.57 114.58 117.81 1wvk h GLU 66 Ca 0.03 -0.13 -0.19 0.00 0.07 0.00 0.00 59.36 59.14 1wvk h GLU 66 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1wvk h GLU 66 CO -0.08 0.78 -0.89 1.25 0.07 0.00 0.00 179.01 180.14 1wvk h HIS 67 N 1.04 0.19 0.00 2.06 2.76 -1.41 -2.94 115.15 116.86 1wvk h HIS 67 Ca 0.26 -0.11 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1wvk h HIS 67 Cb 0.06 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1wvk h HIS 67 CO 0.01 0.94 -0.43 0.00 -1.30 0.00 0.00 177.93 177.15 1wvk h ALA 68 N 1.02 0.83 0.00 5.26 0.00 -0.05 -1.76 119.26 124.56 1wvk h ALA 68 Ca -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1wvk h ALA 68 Cb 1.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wvk h ALA 68 CO 0.13 0.54 -0.41 0.93 0.00 0.00 0.00 179.25 180.44 1wvk h GLU 69 N 0.00 0.00 0.06 0.00 4.39 -1.09 -2.24 114.58 115.70 1wvk h GLU 69 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1wvk h GLU 69 Cb 1.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1wvk h GLU 69 CO 0.06 0.09 -1.15 0.00 -1.16 0.00 0.00 179.01 176.84 1wvk h ALA 70 N 1.90 0.24 -3.00 3.43 0.00 -1.30 -3.44 119.26 117.09 1wvk h ALA 70 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1wvk h ALA 70 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wvk h ALA 70 CO 0.01 1.13 0.00 1.63 0.00 0.00 0.00 179.25 182.02 1wvk n LYS 71 N -3.43 0.00 -3.85 0.00 4.01 -0.69 -5.04 118.16 109.16 1wvk n LYS 71 Ca -0.05 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.39 1wvk n LYS 71 Cb 0.98 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 35.53 1wvk n LYS 71 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wvk n HIS 72 N -0.51 -1.70 -0.07 2.13 1.44 -0.84 -4.97 115.22 110.70 1wvk n HIS 72 Ca 0.00 0.34 -0.08 0.00 -2.01 0.00 0.00 57.72 55.97 1wvk n HIS 72 Cb 0.00 -3.22 -0.06 0.00 0.12 0.00 0.00 29.99 26.83 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 -2.15 0.00 -0.96 -1.40 0.11 -1.86 -3.48 132.00 122.27 1wvk h PRO 73 Ca -0.68 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.52 1wvk h PRO 73 Cb 1.38 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.28 1wvk h PRO 73 CO 0.51 0.46 -0.26 -1.59 -0.21 0.00 0.00 178.00 176.91 1wvk s LYS 74 N -1.96 0.55 -0.97 1.05 -2.85 -1.26 -5.06 119.74 109.23 1wvk s LYS 74 Ca -0.12 0.92 -0.24 0.00 -1.00 0.00 0.00 55.97 55.53 1wvk s LYS 74 Cb -0.00 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1wvk s LYS 74 CO 0.33 -0.64 1.80 0.00 0.10 0.00 0.00 175.35 176.94 1wvk s ALA 75 N 2.86 2.03 0.00 0.59 0.00 -1.26 -4.64 121.76 121.34 1wvk s ALA 75 Ca 0.19 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1wvk s ALA 75 Cb -0.14 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1wvk s ALA 75 CO -0.21 -4.45 0.00 -3.47 0.00 0.00 0.00 175.76 167.63 1wvk n ASP 76 N 12.35 0.00 0.04 0.00 -0.08 -1.26 -3.85 116.55 123.75 1wvk n ASP 76 Ca 0.39 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.80 1wvk n ASP 76 Cb 0.48 -0.08 0.51 0.00 2.34 0.00 0.00 41.12 44.37 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 -1.80 0.33 -0.45 5.18 0.24 -1.26 -1.96 118.33 118.61 1wvk n VAL 77 Ca 0.00 -0.07 0.07 0.00 -2.04 0.00 0.00 64.34 62.30 1wvk n VAL 77 Cb 0.00 -0.61 0.21 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.81 1.43 0.44 3.34 0.24 -1.26 -4.49 118.33 116.22 1wvk n VAL 78 Ca 0.06 -1.25 0.05 0.00 -2.04 0.00 0.00 64.34 61.16 1wvk n VAL 78 Cb 0.35 0.26 0.24 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.36 1.60 0.18 2.33 0.00 -0.83 -1.11 120.51 123.05 1wvk n ALA 79 Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.60 1wvk n ALA 79 Cb 0.61 -1.15 0.34 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.75 -1.10 -2.00 0.00 5.36 -0.27 -0.36 117.98 115.87 1wvk s PHE 81 Ca -0.01 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1wvk s PHE 81 Cb 0.12 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1wvk s PHE 81 CO 0.70 -1.11 0.27 -2.30 -1.46 0.00 0.00 175.22 171.32 1wvk n PRO 82 N 4.08 0.03 0.00 10.12 -0.02 -1.18 -0.89 135.00 147.13 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 0.52 -1.23 0.37 0.00 -0.02 0.00 0.00 33.50 33.14 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 -0.73 0.00 -0.13 6.00 8.25 -1.26 -3.76 115.22 123.59 1wvk n HIS 83 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1wvk n HIS 83 Cb 0.00 -0.26 0.30 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 -1.30 3.74 -4.47 2.41 4.77 -0.07 -4.03 117.00 118.05 1wvk n LEU 84 Ca 0.08 -1.81 -0.46 0.00 -0.03 0.00 0.00 56.01 53.79 1wvk n LEU 84 Cb 0.33 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1wvk n LEU 84 CO 0.31 0.91 1.94 2.29 -1.33 0.00 0.00 177.39 181.50 1wvk n LYS 85 N 1.57 0.83 0.00 3.23 2.85 -1.25 -4.97 118.16 120.43 1wvk n LYS 85 Ca 0.23 0.16 0.01 0.00 -1.05 0.00 0.00 58.31 57.65 1wvk n LYS 85 Cb 0.61 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 1wvk n LYS 85 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52