#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvz n ASN 5 N 0.00 0.00 -4.51 6.41 4.13 -1.26 -5.09 115.26 114.94 1wvz n ASN 5 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1wvz n ASN 5 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1wvz s LYS 6 N 1.08 2.95 -0.18 3.52 3.01 -1.26 -3.73 119.74 125.13 1wvz s LYS 6 Ca 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 55.97 54.30 1wvz s LYS 6 Cb 0.00 -2.61 0.08 0.00 -1.01 0.00 0.00 37.83 34.30 1wvz s LYS 6 CO 0.00 0.51 0.39 1.03 0.51 0.00 0.00 175.35 177.79 1wvz s ARG 7 N -0.41 0.30 -0.43 1.68 3.00 -1.26 -4.51 118.95 117.31 1wvz s ARG 7 Ca 0.06 0.96 -0.41 0.00 0.00 0.00 0.00 55.73 56.34 1wvz s ARG 7 Cb -0.12 0.23 -0.16 0.00 0.00 0.00 0.00 34.95 34.90 1wvz s ARG 7 CO 0.02 -0.25 2.12 0.00 0.00 0.00 0.00 175.30 177.19 1wvz n ALA 8 N 5.28 0.48 -2.29 2.13 0.00 -1.26 -2.74 120.51 122.10 1wvz n ALA 8 Ca -0.10 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1wvz n ALA 8 Cb 0.50 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1wvz n ALA 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wvz s PRO 9 N 5.86 4.32 -0.08 0.00 0.02 -1.26 -4.82 135.00 139.04 1wvz s PRO 9 Ca 1.14 1.89 -0.26 0.00 0.02 0.00 0.00 61.00 63.79 1wvz s PRO 9 Cb -1.23 -3.51 -0.03 0.00 0.02 0.00 0.00 34.50 29.75 1wvz s PRO 9 CO 0.60 -0.49 0.84 1.52 -0.33 0.00 0.00 177.00 179.14 1wvz s TYR 10 N 2.07 3.55 0.29 6.54 -0.85 0.31 -4.64 117.35 124.63 1wvz s TYR 10 Ca 0.61 1.41 -0.30 0.00 -0.52 0.00 0.00 57.07 58.27 1wvz s TYR 10 Cb -0.30 -2.98 -0.12 0.00 0.38 0.00 0.00 41.96 38.93 1wvz s TYR 10 CO 0.26 -0.05 1.47 -2.67 -1.52 0.00 0.00 175.55 173.03 1wvz n TRP 11 N 4.31 2.55 -0.12 -3.49 2.14 -1.26 -1.79 117.44 119.78 1wvz n TRP 11 Ca 0.03 0.39 -0.25 0.00 2.07 0.00 0.00 57.50 59.74 1wvz n TRP 11 Cb 0.50 -2.51 -0.10 0.00 -0.81 0.00 0.00 31.31 28.39 1wvz n TRP 11 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1wvz n THR 12 N 1.54 1.52 -3.76 -1.67 -2.24 -0.99 -4.89 114.28 103.80 1wvz n THR 12 Ca 0.08 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1wvz n THR 12 Cb 0.35 -1.99 -0.08 0.00 -2.10 0.00 0.00 70.33 66.51 1wvz n THR 12 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wvz s ASN 13 N -7.11 6.13 0.39 3.42 3.84 -1.26 -5.07 114.94 115.28 1wvz s ASN 13 Ca -0.34 0.20 -0.27 0.00 0.21 0.00 0.00 52.86 52.66 1wvz s ASN 13 Cb 0.11 -2.08 -0.09 0.00 -0.55 0.00 0.00 41.25 38.64 1wvz s ASN 13 CO 0.50 0.17 1.34 0.42 -2.79 0.00 0.00 177.10 176.74 1wvz s THR 14 N 0.42 2.51 -0.73 -5.21 -4.23 -1.26 -4.73 115.64 102.41 1wvz s THR 14 Ca 0.07 0.48 0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1wvz s THR 14 Cb -0.11 -3.29 0.23 0.00 1.34 0.00 0.00 72.50 70.67 1wvz s THR 14 CO -0.01 0.09 1.71 -1.84 -0.54 0.00 0.00 174.62 174.03 1wvz n GLU 15 N 0.31 0.14 0.25 3.99 0.28 -1.26 -2.42 120.64 121.93 1wvz n GLU 15 Ca 0.02 0.27 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 1wvz n GLU 15 Cb 0.42 -1.72 0.44 0.00 1.43 0.00 0.00 31.44 32.01 1wvz n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1wvz h LYS 16 N 0.00 0.00 -0.16 3.44 3.64 -1.94 -2.84 116.57 118.70 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wvz h LYS 16 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1wvz h LYS 16 CO 0.00 0.04 0.00 -1.33 -2.27 0.00 0.00 179.45 175.89 1wvz n MET 17 N -3.13 2.32 0.00 1.90 2.81 -1.02 -4.80 117.12 115.21 1wvz n MET 17 Ca 0.02 -2.67 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 1wvz n MET 17 Cb 0.42 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1wvz n MET 17 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1wvz n GLU 18 N -0.81 0.00 -3.12 0.03 0.00 -1.08 -4.97 120.64 110.68 1wvz n GLU 18 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.27 1wvz n GLU 18 Cb 0.76 -0.01 -0.03 0.00 0.00 0.00 0.00 31.44 32.17 1wvz n GLU 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wvz s LYS 19 N -0.05 0.87 0.00 5.31 -0.14 -1.16 -5.08 119.74 119.48 1wvz s LYS 19 Ca 0.00 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 1wvz s LYS 19 Cb 0.00 -0.29 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 1wvz s LYS 19 CO 0.00 -1.26 0.00 2.89 -0.76 0.00 0.00 175.35 176.22 1wvz n ARG 20 N 3.76 0.00 -2.25 1.68 1.85 -1.25 -4.84 116.66 115.62 1wvz n ARG 20 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.68 1wvz n ARG 20 Cb 0.53 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.90 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1wvz s LEU 21 N 0.00 3.31 0.00 2.89 0.20 -1.07 -3.84 118.68 120.17 1wvz s LEU 21 Ca 0.00 -1.21 0.02 0.00 0.69 0.00 0.00 54.13 53.63 1wvz s LEU 21 Cb 0.00 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 1wvz s LEU 21 CO 0.00 -2.29 0.07 1.41 -0.29 0.00 0.00 176.35 175.24 1wvz n HIS 22 N 12.06 -0.06 -4.76 5.38 8.25 -1.10 -5.00 115.22 129.99 1wvz n HIS 22 Ca 0.40 -0.93 -0.32 0.00 -0.26 0.00 0.00 57.72 56.61 1wvz n HIS 22 Cb 0.48 0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.46 1wvz n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wvz s ALA 23 N -2.41 2.21 -0.22 -1.41 0.00 -1.26 0.57 121.76 119.25 1wvz s ALA 23 Ca 0.09 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1wvz s ALA 23 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1wvz s ALA 23 CO 0.07 0.02 0.13 0.08 0.00 0.00 0.00 175.76 176.06 1wvz s VAL 24 N 0.74 5.23 0.03 0.00 1.01 0.31 -4.90 120.40 122.81 1wvz s VAL 24 Ca -0.09 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1wvz s VAL 24 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1wvz s VAL 24 CO -0.00 0.39 1.03 -2.16 0.00 0.00 0.00 175.10 174.36 1wvz s PRO 25 N 0.78 4.54 0.32 2.72 0.04 -1.26 -0.98 135.00 141.16 1wvz s PRO 25 Ca 0.07 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1wvz s PRO 25 Cb -0.13 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 30.89 1wvz s PRO 25 CO 0.02 -0.07 1.28 0.00 0.04 0.00 0.00 177.00 178.26 1wvz s ALA 26 N 0.90 3.49 -0.44 8.56 0.00 -0.97 -2.77 121.76 130.53 1wvz s ALA 26 Ca 0.53 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1wvz s ALA 26 Cb -0.23 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wvz s ALA 26 CO 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1wvz n ALA 27 N 0.97 -0.06 -2.52 0.00 0.00 -1.14 -5.03 120.51 112.74 1wvz n ALA 27 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1wvz n ALA 27 Cb 0.42 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1wvz n ALA 27 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wvz s ASN 28 N -2.79 3.27 0.08 0.00 -0.87 -1.11 -4.82 114.94 108.69 1wvz s ASN 28 Ca 0.00 -1.27 -0.29 0.00 -1.57 0.00 0.00 52.86 49.73 1wvz s ASN 28 Cb 0.00 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.25 40.91 1wvz s ASN 28 CO 0.00 -0.37 0.93 0.42 -2.57 0.00 0.00 177.10 175.50 1wvz s THR 29 N -2.86 4.62 -0.21 1.60 -4.23 -1.26 -3.39 115.64 109.91 1wvz s THR 29 Ca 0.33 1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 62.71 1wvz s THR 29 Cb 0.06 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.57 1wvz s THR 29 CO 0.15 0.30 0.16 -0.69 -0.54 0.00 0.00 174.62 174.00 1wvz s VAL 30 N 0.19 5.38 0.06 2.29 1.01 0.80 -4.92 120.40 125.21 1wvz s VAL 30 Ca 0.46 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.42 1wvz s VAL 30 Cb -0.22 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1wvz s VAL 30 CO 0.28 0.40 0.84 -0.75 0.00 0.00 0.00 175.10 175.87 1wvz s LYS 31 N 0.59 4.56 -0.19 2.72 2.20 -1.26 -2.11 119.74 126.24 1wvz s LYS 31 Ca 0.09 1.20 0.01 0.00 -0.36 0.00 0.00 55.97 56.91 1wvz s LYS 31 Cb -0.12 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1wvz s LYS 31 CO 0.01 0.22 -0.10 0.12 -0.36 0.00 0.00 175.35 175.24 1wvz s PHE 32 N 0.09 2.29 -0.12 4.03 2.19 0.18 -4.99 117.98 121.65 1wvz s PHE 32 Ca 0.42 -1.47 0.00 0.00 0.33 0.00 0.00 56.93 56.22 1wvz s PHE 32 Cb -0.21 -1.59 -0.01 0.00 -1.31 0.00 0.00 43.02 39.89 1wvz s PHE 32 CO 0.25 -0.72 -0.14 1.03 1.83 0.00 0.00 175.22 177.48 1wvz s ARG 33 N 1.44 3.30 -0.44 10.12 1.81 -1.26 -0.43 118.95 133.48 1wvz s ARG 33 Ca -0.00 -0.70 0.07 0.00 -1.72 0.00 0.00 55.73 53.38 1wvz s ARG 33 Cb -0.16 -2.59 0.28 0.00 -0.45 0.00 0.00 34.95 32.04 1wvz s ARG 33 CO -0.09 0.24 0.84 0.00 -0.68 0.00 0.00 175.30 175.62 1wvz s PRO 35 N -0.33 4.13 -0.25 0.00 0.04 -1.20 -4.57 135.00 132.82 1wvz s PRO 35 Ca 0.31 2.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.66 1wvz s PRO 35 Cb 0.25 -4.07 0.14 0.00 0.04 0.00 0.00 34.50 30.86 1wvz s PRO 35 CO -0.14 -0.93 0.47 0.00 0.04 0.00 0.00 177.00 176.44 1wvz s ALA 36 N 4.34 -1.50 -0.01 8.56 0.00 -1.21 -2.34 121.76 129.60 1wvz s ALA 36 Ca 0.80 1.44 -0.21 0.00 0.00 0.00 0.00 51.96 54.00 1wvz s ALA 36 Cb -0.37 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1wvz s ALA 36 CO 0.35 -1.12 0.60 0.20 0.00 0.00 0.00 175.76 175.79 1wvz s GLY 37 N 2.68 2.62 0.00 0.00 0.00 -0.74 -4.71 107.32 107.17 1wvz s GLY 37 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1wvz s GLY 37 CO -0.17 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.32 1wvz n GLY 38 N 2.47 1.55 3.72 0.20 0.00 -1.26 -0.53 105.19 111.34 1wvz n GLY 38 Ca -0.06 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1wvz n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvz s ASN 39 N 2.00 3.55 0.00 1.61 2.20 -1.11 -4.94 114.94 118.25 1wvz s ASN 39 Ca 0.00 1.50 0.29 0.00 -0.94 0.00 0.00 52.86 53.71 1wvz s ASN 39 Cb 0.00 -2.18 1.31 0.00 -2.00 0.00 0.00 41.25 38.38 1wvz s ASN 39 CO 0.00 -2.59 1.93 -0.81 -2.94 0.00 0.00 177.10 172.69 1wvz n PRO 40 N -3.85 0.42 -3.46 3.55 -0.04 -1.26 -4.30 135.00 126.06 1wvz n PRO 40 Ca 0.07 -0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1wvz n PRO 40 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1wvz n PRO 40 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1wvz n MET 41 N -1.22 2.87 -3.26 0.54 1.56 -1.24 -5.06 117.12 111.30 1wvz n MET 41 Ca 0.13 -4.58 -0.38 0.00 -0.27 0.00 0.00 57.70 52.59 1wvz n MET 41 Cb 0.28 -2.35 -0.06 0.00 2.15 0.00 0.00 33.22 33.23 1wvz n MET 41 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wvz s PRO 42 N -2.14 4.31 -0.30 2.12 0.04 -1.26 -4.70 135.00 133.07 1wvz s PRO 42 Ca 0.33 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1wvz s PRO 42 Cb 0.05 -3.39 0.09 0.00 0.04 0.00 0.00 34.50 31.29 1wvz s PRO 42 CO -0.04 0.26 0.03 0.95 0.04 0.00 0.00 177.00 178.24 1wvz s THR 43 N 0.24 1.74 0.14 1.26 -4.23 -0.81 -5.04 115.64 108.94 1wvz s THR 43 Ca 0.29 -1.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1wvz s THR 43 Cb -0.17 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1wvz s THR 43 CO 0.14 -0.46 -0.08 0.00 -0.54 0.00 0.00 174.62 173.68 1wvz s MET 44 N 1.21 2.18 0.05 3.99 0.23 -1.26 0.18 119.30 125.88 1wvz s MET 44 Ca 0.05 -1.09 0.06 0.00 -1.03 0.00 0.00 55.69 53.69 1wvz s MET 44 Cb -0.19 -2.29 -0.03 0.00 -1.53 0.00 0.00 34.83 30.79 1wvz s MET 44 CO -0.12 0.48 -0.14 1.03 -2.03 0.00 0.00 175.02 174.24 1wvz s ARG 45 N -2.51 2.16 -0.27 3.16 0.52 0.26 -4.90 118.95 117.37 1wvz s ARG 45 Ca 0.24 -0.95 -0.10 0.00 -0.52 0.00 0.00 55.73 54.40 1wvz s ARG 45 Cb -0.10 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1wvz s ARG 45 CO 0.15 0.54 0.15 -1.58 0.02 0.00 0.00 175.30 174.59 1wvz s TRP 46 N -1.02 3.18 -0.11 -0.53 0.23 -1.26 -2.66 118.94 116.77 1wvz s TRP 46 Ca 0.17 -0.03 0.01 0.00 -2.03 0.00 0.00 56.10 54.22 1wvz s TRP 46 Cb -0.11 -2.33 0.02 0.00 0.03 0.00 0.00 33.47 31.08 1wvz s TRP 46 CO 0.08 -0.21 -0.14 -0.51 0.96 0.00 0.00 176.95 177.13 1wvz s LEU 47 N 1.69 1.63 -0.19 2.99 1.02 -1.00 -2.43 118.68 122.39 1wvz s LEU 47 Ca 0.07 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.82 1wvz s LEU 47 Cb -0.16 -1.04 0.04 0.00 0.02 0.00 0.00 46.19 45.06 1wvz s LEU 47 CO 0.09 -0.01 -0.09 -1.59 0.02 0.00 0.00 176.35 174.76 1wvz s LYS 48 N 1.13 1.86 -1.58 1.70 -2.85 0.31 -0.17 119.74 120.15 1wvz s LYS 48 Ca -0.04 -0.73 -0.16 0.00 -1.00 0.00 0.00 55.97 54.03 1wvz s LYS 48 Cb -0.14 -2.28 0.14 0.00 -2.06 0.00 0.00 37.83 33.49 1wvz s LYS 48 CO -0.03 -0.42 0.72 -1.71 0.10 0.00 0.00 175.35 174.01 1wvz n ASN 49 N 4.75 -3.43 0.00 0.03 2.85 -0.72 0.96 115.26 119.70 1wvz n ASN 49 Ca -0.14 -0.84 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 1wvz n ASN 49 Cb 0.47 -2.82 0.00 0.00 1.24 0.00 0.00 39.78 38.67 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wvz n GLY 50 N -1.33 0.66 3.60 8.20 0.00 -1.26 -5.05 105.19 110.00 1wvz n GLY 50 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1wvz n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wvz s LYS 51 N -0.29 2.26 0.03 1.61 2.36 0.27 -5.13 119.74 120.85 1wvz s LYS 51 Ca 0.00 -0.95 0.03 0.00 -2.55 0.00 0.00 55.97 52.50 1wvz s LYS 51 Cb 0.00 -2.37 -0.04 0.00 -1.05 0.00 0.00 37.83 34.37 1wvz s LYS 51 CO 0.00 0.53 -0.02 -1.83 1.55 0.00 0.00 175.35 175.58 1wvz s GLU 52 N -2.12 2.66 -0.11 4.03 -1.05 -1.26 0.12 118.70 120.97 1wvz s GLU 52 Ca 0.22 -0.70 -0.01 0.00 -0.15 0.00 0.00 54.97 54.32 1wvz s GLU 52 Cb -0.11 -2.59 0.03 0.00 -0.44 0.00 0.00 34.13 31.02 1wvz s GLU 52 CO 0.14 0.60 -0.01 0.12 0.95 0.00 0.00 175.26 177.05 1wvz s PHE 53 N -1.13 1.03 0.22 4.83 2.19 -1.02 -4.97 117.98 119.13 1wvz s PHE 53 Ca 0.21 -0.52 -0.30 0.00 0.33 0.00 0.00 56.93 56.65 1wvz s PHE 53 Cb -0.11 -0.99 -0.09 0.00 -1.31 0.00 0.00 43.02 40.51 1wvz s PHE 53 CO 0.12 -0.45 1.24 0.15 1.83 0.00 0.00 175.22 178.10 1wvz s LYS 54 N 1.86 4.46 0.62 10.12 3.01 -1.26 -4.45 119.74 134.09 1wvz s LYS 54 Ca 0.03 1.97 0.34 0.00 -1.01 0.00 0.00 55.97 57.31 1wvz s LYS 54 Cb -0.14 -3.19 2.01 0.00 -1.01 0.00 0.00 37.83 35.50 1wvz s LYS 54 CO -0.07 -0.11 2.29 0.37 0.51 0.00 0.00 175.35 178.34 1wvz h GLN 55 N 4.82 0.00 -0.00 1.68 4.15 -1.99 0.31 115.11 124.08 1wvz h GLN 55 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1wvz h GLN 55 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1wvz h GLN 55 CO 0.73 0.00 -0.03 -1.91 -1.93 0.00 0.00 178.83 175.69 1wvz n GLU 56 N -3.60 0.89 -3.67 1.69 2.13 -1.26 -4.70 120.64 112.12 1wvz n GLU 56 Ca -0.03 -0.17 -0.18 0.00 0.66 0.00 0.00 57.16 57.45 1wvz n GLU 56 Cb 0.09 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.14 1wvz n GLU 56 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1wvz s HIS 57 N -2.23 -0.08 -0.02 4.31 3.76 0.11 -5.07 115.29 116.07 1wvz s HIS 57 Ca 0.38 0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.61 1wvz s HIS 57 Cb 0.21 -0.34 0.02 0.00 1.11 0.00 0.00 32.58 33.58 1wvz s HIS 57 CO 0.41 -0.23 0.29 1.03 -0.85 0.00 0.00 174.74 175.39 1wvz s ARG 58 N 2.16 0.62 -0.77 1.40 0.52 -1.26 -4.10 118.95 117.51 1wvz s ARG 58 Ca 0.03 -0.15 -0.25 0.00 -0.52 0.00 0.00 55.73 54.83 1wvz s ARG 58 Cb -0.12 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 1wvz s ARG 58 CO -0.05 -0.16 1.90 0.42 0.02 0.00 0.00 175.30 177.43 1wvz s ILE 59 N -1.18 3.41 0.00 1.52 -1.09 -1.22 -2.44 121.20 120.20 1wvz s ILE 59 Ca -0.12 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1wvz s ILE 59 Cb -0.05 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1wvz s ILE 59 CO 0.04 -0.94 0.00 0.61 -1.23 0.00 0.00 174.94 173.41 1wvz n GLY 60 N 6.31 0.65 0.00 6.18 0.00 -1.26 -4.16 105.19 112.92 1wvz n GLY 60 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1wvz n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvz n GLY 61 N -2.00 3.56 2.88 -0.02 0.00 -1.02 -4.98 105.19 103.60 1wvz n GLY 61 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 1wvz n GLY 61 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wvz s TYR 62 N -2.06 0.67 -0.09 1.61 1.13 -1.26 -3.85 117.35 113.49 1wvz s TYR 62 Ca 0.00 -0.17 -0.00 0.00 -1.41 0.00 0.00 57.07 55.49 1wvz s TYR 62 Cb 0.00 -0.61 0.02 0.00 -1.10 0.00 0.00 41.96 40.27 1wvz s TYR 62 CO 0.00 -0.18 -0.06 0.15 -2.51 0.00 0.00 175.55 172.95 1wvz s LYS 63 N 0.92 1.30 0.00 -3.49 1.02 -0.86 -5.07 119.74 113.56 1wvz s LYS 63 Ca -0.11 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1wvz s LYS 63 Cb -0.14 -1.37 -0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1wvz s LYS 63 CO -0.00 -0.22 -0.02 0.54 -0.92 0.00 0.00 175.35 174.73 1wvz s VAL 64 N 1.54 0.16 -0.14 3.17 0.11 -1.26 -0.77 120.40 123.21 1wvz s VAL 64 Ca 0.01 -0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1wvz s VAL 64 Cb -0.13 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1wvz s VAL 64 CO -0.05 -0.00 1.56 -0.13 -3.33 0.00 0.00 175.10 173.15 1wvz s ARG 65 N -0.18 4.03 0.59 1.54 1.81 -0.90 -4.85 118.95 120.99 1wvz s ARG 65 Ca -0.01 1.87 0.29 0.00 -1.72 0.00 0.00 55.73 56.17 1wvz s ARG 65 Cb -0.02 -3.96 1.33 0.00 -0.45 0.00 0.00 34.95 31.85 1wvz s ARG 65 CO -0.00 -1.00 1.71 -0.91 -0.68 0.00 0.00 175.30 174.41 1wvz h ASN 66 N 9.76 0.00 0.00 0.23 4.21 -2.00 -3.22 115.58 124.57 1wvz h ASN 66 Ca -0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.17 1wvz h ASN 66 Cb 1.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1wvz h ASN 66 CO 0.98 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.12 1wvz n GLN 67 N -3.60 0.00 0.00 0.81 1.13 -1.26 -5.00 117.38 109.47 1wvz n GLN 67 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1wvz n GLN 67 Cb 0.99 -0.08 0.00 0.00 0.11 0.00 0.00 30.24 31.26 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wvz n HIS 68 N -0.01 0.00 0.00 1.08 1.44 -1.22 -4.79 115.22 111.72 1wvz n HIS 68 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1wvz n HIS 68 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1wvz n HIS 68 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1wvz n TRP 69 N 0.00 0.00 -4.35 -1.40 -0.00 -1.26 -3.32 117.44 107.11 1wvz n TRP 69 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 1wvz n TRP 69 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.19 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1wvz s SER 70 N -4.33 2.86 -0.08 5.87 0.01 -1.26 -2.33 113.70 114.44 1wvz s SER 70 Ca 0.00 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 1wvz s SER 70 Cb 0.00 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1wvz s SER 70 CO 0.00 0.02 0.17 -1.48 0.41 0.00 0.00 173.24 172.36 1wvz s LEU 71 N -2.57 0.35 -0.17 2.44 2.34 0.42 -2.12 118.68 119.37 1wvz s LEU 71 Ca 0.16 0.36 -0.02 0.00 0.06 0.00 0.00 54.13 54.69 1wvz s LEU 71 Cb -0.07 0.41 -0.01 0.00 -0.56 0.00 0.00 46.19 45.96 1wvz s LEU 71 CO 0.07 -0.19 -0.08 -0.51 -1.06 0.00 0.00 176.35 174.59 1wvz s ILE 72 N 1.63 3.35 0.10 1.48 2.07 0.05 -0.64 121.20 129.24 1wvz s ILE 72 Ca -0.05 -0.53 0.08 0.00 -1.41 0.00 0.00 60.65 58.75 1wvz s ILE 72 Cb -0.12 -2.47 -0.04 0.00 0.13 0.00 0.00 42.46 39.97 1wvz s ILE 72 CO -0.06 0.48 -0.21 0.00 -1.91 0.00 0.00 174.94 173.23 1wvz s MET 73 N 0.84 1.15 -0.29 3.50 0.23 -0.90 -2.04 119.30 121.78 1wvz s MET 73 Ca -0.02 -1.18 -0.10 0.00 -1.03 0.00 0.00 55.69 53.36 1wvz s MET 73 Cb -0.15 -1.43 -0.03 0.00 -1.53 0.00 0.00 34.83 31.69 1wvz s MET 73 CO 0.01 0.33 0.17 -2.00 -2.03 0.00 0.00 175.02 171.50 1wvz s GLU 74 N -1.92 3.66 -0.34 3.16 2.12 -1.25 -0.14 118.70 123.99 1wvz s GLU 74 Ca 0.07 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1wvz s GLU 74 Cb -0.10 -3.61 0.11 0.00 0.26 0.00 0.00 34.13 30.79 1wvz s GLU 74 CO 0.04 -0.29 0.13 -1.54 -0.54 0.00 0.00 175.26 173.06 1wvz s SER 75 N 1.69 3.97 -0.11 -1.70 1.04 -1.22 -3.37 113.70 114.01 1wvz s SER 75 Ca 0.06 -1.89 -0.19 0.00 0.48 0.00 0.00 55.95 54.40 1wvz s SER 75 Cb -0.16 -0.94 -0.27 0.00 0.10 0.00 0.00 66.02 64.75 1wvz s SER 75 CO 0.08 -0.38 0.60 -0.37 0.98 0.00 0.00 173.24 174.16 1wvz h VAL 76 N 6.20 1.21 0.04 5.02 -1.51 -1.83 -3.26 116.25 122.13 1wvz h VAL 76 Ca -0.10 -2.39 -0.30 0.00 -1.23 0.00 0.00 66.70 62.68 1wvz h VAL 76 Cb 1.00 2.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.96 1wvz h VAL 76 CO 0.47 0.64 -1.67 0.52 -1.23 0.00 0.00 177.57 176.30 1wvz n VAL 77 N -4.12 1.62 0.32 7.19 0.31 -1.26 -2.90 118.33 119.50 1wvz n VAL 77 Ca -0.22 -0.30 0.20 0.00 -0.01 0.00 0.00 64.34 64.02 1wvz n VAL 77 Cb 0.80 -1.90 1.11 0.00 -0.91 0.00 0.00 33.84 32.94 1wvz n VAL 77 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1wvz h PRO 78 N -0.59 0.00 -0.23 5.55 0.11 -1.95 -2.18 132.00 132.70 1wvz h PRO 78 Ca -0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1wvz h PRO 78 Cb 1.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.71 1wvz h PRO 78 CO -0.12 0.00 0.39 0.77 -0.21 0.00 0.00 178.00 178.84 1wvz h SER 79 N 0.00 0.00 -0.58 -2.05 0.02 -1.72 0.17 113.55 109.39 1wvz h SER 79 Ca -0.00 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1wvz h SER 79 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1wvz h SER 79 CO 0.00 0.00 0.41 -0.78 -1.14 0.00 0.00 176.83 175.32 1wvz h ASP 80 N 0.00 0.06 -3.41 3.07 3.58 -1.65 -3.33 116.42 114.73 1wvz h ASP 80 Ca 0.11 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.87 1wvz h ASP 80 Cb 0.90 -0.01 -0.19 0.00 1.72 0.00 0.00 39.33 41.75 1wvz h ASP 80 CO -0.00 0.03 -0.12 -0.54 -2.88 0.00 0.00 179.24 175.73 1wvz s LYS 81 N -5.07 3.10 -0.84 0.28 1.02 0.59 -4.79 119.74 114.03 1wvz s LYS 81 Ca -0.05 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 1wvz s LYS 81 Cb 0.20 -4.03 0.22 0.00 -0.52 0.00 0.00 37.83 33.70 1wvz s LYS 81 CO 0.74 -1.01 2.27 0.41 -0.92 0.00 0.00 175.35 176.84 1wvz n GLY 82 N 5.14 5.24 2.97 -3.33 0.00 -1.25 -4.82 105.19 109.13 1wvz n GLY 82 Ca -0.07 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.39 1wvz n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wvz s ASN 83 N -0.47 3.81 -0.21 1.61 3.84 -1.26 -1.06 114.94 121.21 1wvz s ASN 83 Ca 0.52 -1.13 -0.06 0.00 0.21 0.00 0.00 52.86 52.40 1wvz s ASN 83 Cb 0.33 -1.24 -0.03 0.00 -0.55 0.00 0.00 41.25 39.77 1wvz s ASN 83 CO -0.25 -0.21 0.02 -0.31 -2.79 0.00 0.00 177.10 173.56 1wvz s TYR 84 N 1.36 3.08 -0.15 0.43 1.51 -1.05 -1.75 117.35 120.77 1wvz s TYR 84 Ca -0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1wvz s TYR 84 Cb -0.18 -2.11 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1wvz s TYR 84 CO -0.06 -0.20 -0.13 0.99 -1.11 0.00 0.00 175.55 175.04 1wvz s THR 85 N 1.01 1.51 -0.42 -0.71 2.01 0.76 0.04 115.64 119.85 1wvz s THR 85 Ca 0.02 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1wvz s THR 85 Cb -0.14 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 70.99 1wvz s THR 85 CO 0.02 0.42 0.27 0.00 -0.69 0.00 0.00 174.62 174.64 1wvz s VAL 87 N 1.47 3.64 -0.38 0.00 0.11 -1.09 -0.08 120.40 124.06 1wvz s VAL 87 Ca 0.03 -1.61 -0.17 0.00 -2.93 0.00 0.00 61.98 57.30 1wvz s VAL 87 Cb -0.23 -3.29 0.01 0.00 -1.53 0.00 0.00 36.38 31.34 1wvz s VAL 87 CO 0.03 -0.48 0.43 0.68 -3.33 0.00 0.00 175.10 172.44 1wvz s VAL 88 N 1.29 5.09 0.12 2.04 -7.23 -0.91 0.90 120.40 121.71 1wvz s VAL 88 Ca 0.03 -0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.15 1wvz s VAL 88 Cb -0.22 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.72 1wvz s VAL 88 CO -0.01 -0.29 0.15 -0.70 -0.31 0.00 0.00 175.10 173.94 1wvz s GLU 89 N 2.17 3.02 0.08 4.82 -6.30 0.47 -1.75 118.70 121.22 1wvz s GLU 89 Ca 0.14 -0.73 -0.03 0.00 -2.50 0.00 0.00 54.97 51.85 1wvz s GLU 89 Cb -0.16 -2.75 -0.03 0.00 0.00 0.00 0.00 34.13 31.18 1wvz s GLU 89 CO 0.13 0.53 0.04 0.54 0.02 0.00 0.00 175.26 176.52 1wvz s ASN 90 N -2.83 0.36 0.62 -1.70 2.20 0.42 -1.92 114.94 112.08 1wvz s ASN 90 Ca 0.31 -1.00 0.37 0.00 -0.94 0.00 0.00 52.86 51.60 1wvz s ASN 90 Cb -0.11 0.26 1.99 0.00 -2.00 0.00 0.00 41.25 41.39 1wvz s ASN 90 CO 0.24 -0.67 2.12 -0.08 -2.94 0.00 0.00 177.10 175.77 1wvz h GLU 91 N 2.98 0.00 -0.17 3.55 4.81 -1.88 0.57 114.58 124.43 1wvz h GLU 91 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1wvz h GLU 91 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wvz h GLU 91 CO 0.62 0.00 0.00 0.98 -0.73 0.00 0.00 179.01 179.88 1wvz n TYR 92 N -2.89 0.20 0.00 0.92 4.19 -1.26 -5.06 117.16 113.27 1wvz n TYR 92 Ca -0.02 -0.12 0.00 0.00 3.31 0.00 0.00 57.90 61.06 1wvz n TYR 92 Cb 0.17 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.00 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wvz n GLY 93 N 1.18 2.39 3.11 2.98 0.00 0.19 -4.96 105.19 110.09 1wvz n GLY 93 Ca 0.14 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 1wvz n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wvz s SER 94 N 0.00 1.68 0.15 1.61 0.01 -1.26 0.16 113.70 116.05 1wvz s SER 94 Ca 0.00 -0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.07 1wvz s SER 94 Cb 0.00 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1wvz s SER 94 CO 0.00 0.17 -0.19 -0.63 0.41 0.00 0.00 173.24 173.00 1wvz s ILE 95 N -0.36 1.77 -0.01 1.44 1.01 -0.72 -4.98 121.20 119.35 1wvz s ILE 95 Ca 0.05 -1.83 0.06 0.00 0.00 0.00 0.00 60.65 58.93 1wvz s ILE 95 Cb -0.06 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1wvz s ILE 95 CO -0.00 -0.27 -0.19 0.20 0.00 0.00 0.00 174.94 174.67 1wvz s ASN 96 N -2.51 2.23 -0.05 3.58 0.01 -1.26 -2.13 114.94 114.80 1wvz s ASN 96 Ca 0.14 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 1wvz s ASN 96 Cb -0.06 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.38 1wvz s ASN 96 CO 0.06 0.23 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.85 1wvz s HIS 97 N -0.46 0.68 0.02 2.20 3.76 0.88 -4.96 115.29 117.40 1wvz s HIS 97 Ca 0.07 -0.18 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1wvz s HIS 97 Cb -0.07 -0.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 1wvz s HIS 97 CO -0.01 -0.22 -0.21 0.99 -0.85 0.00 0.00 174.74 174.44 1wvz s THR 98 N 1.22 2.56 -0.01 1.30 2.01 -1.26 0.16 115.64 121.63 1wvz s THR 98 Ca -0.06 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.81 1wvz s THR 98 Cb -0.14 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1wvz s THR 98 CO -0.02 0.43 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.00 1wvz s TYR 99 N -0.81 0.37 -0.59 4.92 2.02 0.11 -4.98 117.35 118.38 1wvz s TYR 99 Ca 0.13 -0.06 -0.26 0.00 -0.37 0.00 0.00 57.07 56.50 1wvz s TYR 99 Cb -0.10 -0.28 0.04 0.00 -0.40 0.00 0.00 41.96 41.21 1wvz s TYR 99 CO 0.03 -0.04 1.09 -1.01 -1.57 0.00 0.00 175.55 174.05 1wvz s HIS 100 N 0.14 2.64 0.03 2.71 3.76 -1.25 -2.53 115.29 120.79 1wvz s HIS 100 Ca -0.01 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.04 1wvz s HIS 100 Cb -0.04 -4.34 -0.04 0.00 1.11 0.00 0.00 32.58 29.27 1wvz s HIS 100 CO -0.00 -1.56 0.02 -0.51 -0.85 0.00 0.00 174.74 171.84 1wvz s LEU 101 N 4.60 3.59 -0.17 0.89 1.43 -0.23 -2.59 118.68 126.20 1wvz s LEU 101 Ca 0.36 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1wvz s LEU 101 Cb -0.10 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1wvz s LEU 101 CO 0.21 0.24 -0.08 -0.62 0.23 0.00 0.00 176.35 176.33 1wvz s ASP 102 N -1.85 4.26 0.23 2.29 -1.08 0.19 -4.42 116.67 116.30 1wvz s ASP 102 Ca 0.23 -0.32 -0.30 0.00 -0.52 0.00 0.00 52.55 51.64 1wvz s ASP 102 Cb -0.12 -1.69 -0.09 0.00 -1.46 0.00 0.00 42.92 39.56 1wvz s ASP 102 CO 0.14 0.09 1.01 -0.69 0.52 0.00 0.00 175.17 176.24 1wvz s VAL 103 N 0.79 3.90 0.00 1.11 1.01 -1.26 0.11 120.40 126.07 1wvz s VAL 103 Ca -0.03 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1wvz s VAL 103 Cb -0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1wvz s VAL 103 CO 0.01 0.41 0.41 0.52 0.00 0.00 0.00 175.10 176.46