#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 -4.70 6.41 4.13 -1.26 -5.00 115.26 114.84 1wvz n ASN 5 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1wvz n ASN 5 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 2.86 4.49 -0.17 3.52 3.01 -1.26 -4.27 119.74 127.91 1wvz s LYS 6 Ca 0.00 1.34 -0.06 0.00 -1.01 0.00 0.00 55.97 56.24 1wvz s LYS 6 Cb 0.00 -3.49 0.08 0.00 -1.01 0.00 0.00 37.83 33.40 1wvz s LYS 6 CO 0.00 -0.15 0.36 1.03 0.51 0.00 0.00 175.35 177.10 1wvz s ARG 7 N 1.42 0.26 -0.48 1.68 1.81 -1.26 -4.49 118.95 117.89 1wvz s ARG 7 Ca 0.49 0.90 -0.44 0.00 -1.72 0.00 0.00 55.73 54.96 1wvz s ARG 7 Cb -0.19 0.16 -0.19 0.00 -0.45 0.00 0.00 34.95 34.28 1wvz s ARG 7 CO 0.23 -0.25 1.75 0.00 -0.68 0.00 0.00 175.30 176.35 1wvz n ALA 8 N 5.25 -0.67 -2.10 2.13 0.00 -1.26 -2.61 120.51 121.25 1wvz n ALA 8 Ca -0.09 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1wvz n ALA 8 Cb 0.50 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 4.09 4.26 -0.31 0.00 0.02 -1.26 -4.59 135.00 137.21 1wvz s PRO 9 Ca 1.07 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 63.96 1wvz s PRO 9 Cb -1.44 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 29.61 1wvz s PRO 9 CO 0.72 -0.59 0.86 0.71 -0.33 0.00 0.00 177.00 178.37 1wvz s TYR 10 N 2.07 3.19 0.33 6.54 1.51 0.34 -4.74 117.35 126.59 1wvz s TYR 10 Ca 0.67 0.91 -0.27 0.00 -1.01 0.00 0.00 57.07 57.38 1wvz s TYR 10 Cb -0.36 -3.33 -0.13 0.00 -0.11 0.00 0.00 41.96 38.03 1wvz s TYR 10 CO 0.29 -0.61 1.00 -2.67 -1.11 0.00 0.00 175.55 172.45 1wvz n TRP 11 N 6.37 1.21 -0.08 2.71 2.14 -1.26 0.80 117.44 129.32 1wvz n TRP 11 Ca 0.06 0.66 -0.09 0.00 2.07 0.00 0.00 57.50 60.20 1wvz n TRP 11 Cb 0.48 -2.24 -0.03 0.00 -0.81 0.00 0.00 31.31 28.71 1wvz n TRP 11 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1wvz n THR 12 N 0.01 1.44 -3.98 -1.67 -1.04 0.14 -4.73 114.28 104.45 1wvz n THR 12 Ca 0.09 0.16 -0.31 0.00 -2.04 0.00 0.00 64.05 61.95 1wvz n THR 12 Cb 0.34 -2.30 -0.05 0.00 -1.82 0.00 0.00 70.33 66.50 1wvz n THR 12 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1wvz s ASN 13 N -5.84 6.01 0.22 8.00 3.04 -1.26 -5.07 114.94 120.04 1wvz s ASN 13 Ca -0.27 0.17 -0.30 0.00 0.04 0.00 0.00 52.86 52.50 1wvz s ASN 13 Cb 0.04 -1.77 -0.09 0.00 -1.54 0.00 0.00 41.25 37.89 1wvz s ASN 13 CO 0.41 0.19 1.19 -0.89 -3.04 0.00 0.00 177.10 174.95 1wvz s THR 14 N -1.42 3.46 -0.51 -5.21 2.01 -1.26 -4.76 115.64 107.94 1wvz s THR 14 Ca 0.31 1.30 0.26 0.00 0.31 0.00 0.00 61.69 63.86 1wvz s THR 14 Cb -0.13 -3.83 0.31 0.00 0.01 0.00 0.00 72.50 68.87 1wvz s THR 14 CO 0.24 0.24 1.73 -0.33 -0.69 0.00 0.00 174.62 175.81 1wvz h GLU 15 N 4.73 0.00 0.00 4.92 4.39 -1.93 -2.80 114.58 123.89 1wvz h GLU 15 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1wvz h GLU 15 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1wvz h GLU 15 CO 0.72 0.00 0.00 -0.22 -1.16 0.00 0.00 179.01 178.35 1wvz h LYS 16 N 0.00 0.00 -0.44 2.33 3.64 -1.93 0.80 116.57 120.96 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 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1wvz h LYS 16 CO 0.00 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.85 1wvz n MET 17 N -3.01 2.86 -2.21 1.90 2.81 -1.06 -4.61 117.12 113.80 1wvz n MET 17 Ca 0.02 -2.24 -0.02 0.00 -1.81 0.00 0.00 57.70 53.65 1wvz n MET 17 Cb 0.39 -1.37 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.77 0.16 0.00 0.03 0.00 -1.10 -5.01 120.64 115.50 1wvz n GLU 18 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 57.16 56.87 1wvz n GLU 18 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.96 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1wvz n LYS 19 N -0.38 0.00 0.00 5.31 0.00 0.39 -4.72 118.16 118.77 1wvz n LYS 19 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.14 1wvz n LYS 19 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 1wvz n LYS 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wvz n ARG 20 N -1.37 0.00 -2.17 1.64 0.63 0.25 -4.25 116.66 111.39 1wvz n ARG 20 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1wvz n ARG 20 Cb 0.00 -0.23 -0.03 0.00 0.45 0.00 0.00 32.46 32.65 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1wvz s LEU 21 N 0.00 3.26 0.16 6.15 0.20 -1.09 -1.77 118.68 125.59 1wvz s LEU 21 Ca 0.00 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.81 1wvz s LEU 21 Cb 0.00 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1wvz s LEU 21 CO 0.00 -2.28 0.01 -2.28 -0.29 0.00 0.00 176.35 171.51 1wvz s HIS 22 N 8.37 1.13 -0.24 5.38 2.46 -1.07 -4.91 115.29 126.40 1wvz s HIS 22 Ca 0.60 -1.07 -0.05 0.00 0.47 0.00 0.00 55.06 55.01 1wvz s HIS 22 Cb -0.10 -0.64 -0.01 0.00 -0.13 0.00 0.00 32.58 31.69 1wvz s HIS 22 CO 0.16 -0.28 0.01 0.00 -2.47 0.00 0.00 174.74 172.15 1wvz s ALA 23 N -3.75 2.96 -0.10 1.58 0.00 -1.26 -2.44 121.76 118.75 1wvz s ALA 23 Ca 0.24 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1wvz s ALA 23 Cb 0.06 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1wvz s ALA 23 CO 0.03 -0.54 -0.16 0.08 0.00 0.00 0.00 175.76 175.17 1wvz s VAL 24 N 1.52 2.82 0.27 0.00 1.01 -1.07 -5.00 120.40 119.94 1wvz s VAL 24 Ca 0.05 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 1wvz s VAL 24 Cb -0.15 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 1wvz s VAL 24 CO -0.00 0.55 0.86 -2.16 0.00 0.00 0.00 175.10 174.34 1wvz s PRO 25 N 0.10 4.50 0.41 2.72 0.04 -1.26 -1.02 135.00 140.49 1wvz s PRO 25 Ca -0.07 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 1wvz s PRO 25 Cb -0.15 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1wvz s PRO 25 CO 0.05 0.37 1.08 0.00 0.04 0.00 0.00 177.00 178.54 1wvz s ALA 26 N -1.50 3.06 -0.13 8.56 0.00 -0.42 -3.21 121.76 128.12 1wvz s ALA 26 Ca 0.45 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1wvz s ALA 26 Cb -0.19 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wvz s ALA 26 CO 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 175.76 175.68 1wvz n ALA 27 N -0.16 -0.02 -2.49 0.00 0.00 -1.26 -5.00 120.51 111.59 1wvz n ALA 27 Ca 0.05 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 1wvz n ALA 27 Cb 0.49 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 1wvz n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wvz s ASN 28 N -2.13 4.30 0.31 0.00 2.47 -1.20 -4.84 114.94 113.86 1wvz s ASN 28 Ca 0.00 -1.09 -0.27 0.00 0.42 0.00 0.00 52.86 51.92 1wvz s ASN 28 Cb 0.00 -0.49 -0.10 0.00 -1.45 0.00 0.00 41.25 39.21 1wvz s ASN 28 CO 0.00 -0.45 0.96 0.28 -3.72 0.00 0.00 177.10 174.17 1wvz s THR 29 N -2.59 4.10 -0.24 -5.21 -1.32 -1.26 -3.43 115.64 105.68 1wvz s THR 29 Ca 0.39 1.80 -0.12 0.00 -1.21 0.00 0.00 61.69 62.55 1wvz s THR 29 Cb 0.04 -4.03 -0.05 0.00 -1.51 0.00 0.00 72.50 66.95 1wvz s THR 29 CO 0.21 0.20 0.21 -0.69 -2.21 0.00 0.00 174.62 172.34 1wvz s VAL 30 N -1.52 5.32 -0.08 5.08 1.01 0.32 -4.87 120.40 125.66 1wvz s VAL 30 Ca 0.49 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 1wvz s VAL 30 Cb -0.21 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1wvz s VAL 30 CO 0.26 0.31 0.88 -0.75 0.00 0.00 0.00 175.10 175.80 1wvz s LYS 31 N 1.22 4.43 -0.21 2.72 2.36 -1.26 -1.94 119.74 127.07 1wvz s LYS 31 Ca 0.09 1.17 -0.00 0.00 -2.55 0.00 0.00 55.97 54.69 1wvz s LYS 31 Cb -0.14 -3.50 0.02 0.00 -1.05 0.00 0.00 37.83 33.16 1wvz s LYS 31 CO 0.06 -0.15 -0.14 0.12 1.55 0.00 0.00 175.35 176.80 1wvz s PHE 32 N 1.46 2.91 -0.14 4.03 2.19 0.73 -5.01 117.98 124.15 1wvz s PHE 32 Ca 0.44 -1.55 -0.01 0.00 0.33 0.00 0.00 56.93 56.14 1wvz s PHE 32 Cb -0.18 -1.98 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 1wvz s PHE 32 CO 0.19 -0.75 -0.10 1.03 1.83 0.00 0.00 175.22 177.42 1wvz s ARG 33 N 1.32 3.46 -0.44 10.12 3.00 -1.26 0.45 118.95 135.60 1wvz s ARG 33 Ca 0.03 -0.64 0.07 0.00 0.00 0.00 0.00 55.73 55.20 1wvz s ARG 33 Cb -0.15 -2.73 0.33 0.00 0.00 0.00 0.00 34.95 32.41 1wvz s ARG 33 CO -0.09 0.20 1.03 0.00 0.00 0.00 0.00 175.30 176.44 1wvz s PRO 35 N -0.38 4.21 -0.29 0.00 0.04 -1.25 -3.92 135.00 133.42 1wvz s PRO 35 Ca 0.26 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.65 1wvz s PRO 35 Cb 0.30 -3.34 0.18 0.00 0.04 0.00 0.00 34.50 31.68 1wvz s PRO 35 CO -0.06 -0.65 0.50 0.00 0.04 0.00 0.00 177.00 176.84 1wvz s ALA 36 N 1.75 -1.79 0.17 8.56 0.00 -1.26 -0.68 121.76 128.51 1wvz s ALA 36 Ca 0.71 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 1wvz s ALA 36 Cb -0.42 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1wvz s ALA 36 CO 0.31 -1.63 1.12 0.20 0.00 0.00 0.00 175.76 175.76 1wvz s GLY 37 N 2.70 2.80 0.00 0.00 0.00 0.24 -4.23 107.32 108.83 1wvz s GLY 37 Ca 0.12 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1wvz s GLY 37 CO -0.25 1.71 0.00 0.61 0.00 0.00 0.00 173.10 175.17 1wvz n GLY 38 N 2.11 -0.46 3.73 0.20 0.00 -1.26 0.13 105.19 109.64 1wvz n GLY 38 Ca 0.03 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.00 3.87 0.00 1.61 6.03 -1.07 -4.95 114.94 116.43 1wvz s ASN 39 Ca 0.00 1.74 0.27 0.00 -1.03 0.00 0.00 52.86 53.83 1wvz s ASN 39 Cb 0.00 -2.40 0.98 0.00 -3.03 0.00 0.00 41.25 36.80 1wvz s ASN 39 CO 0.00 -2.42 1.70 -0.81 -2.03 0.00 0.00 177.10 173.54 1wvz n PRO 40 N -3.77 1.69 -3.60 3.55 -0.04 -1.26 -4.46 135.00 127.11 1wvz n PRO 40 Ca 0.08 -1.01 -0.27 0.00 -0.04 0.00 0.00 63.50 62.26 1wvz n PRO 40 Cb 0.54 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.23 2.15 -3.40 0.54 1.56 -1.26 -5.08 117.12 111.86 1wvz n MET 41 Ca 0.18 -4.53 -0.38 0.00 -0.27 0.00 0.00 57.70 52.71 1wvz n MET 41 Cb 0.36 -2.22 -0.07 0.00 2.15 0.00 0.00 33.22 33.43 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 -1.99 4.21 -0.34 2.12 0.04 -1.26 -4.61 135.00 133.16 1wvz s PRO 42 Ca 0.34 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.60 1wvz s PRO 42 Cb 0.07 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 31.19 1wvz s PRO 42 CO -0.08 0.03 0.05 0.95 0.04 0.00 0.00 177.00 177.99 1wvz s THR 43 N 1.09 2.62 0.12 1.26 -4.23 -0.83 -4.93 115.64 110.75 1wvz s THR 43 Ca 0.19 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1wvz s THR 43 Cb -0.14 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1wvz s THR 43 CO 0.08 -0.45 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.62 1wvz s MET 44 N 1.05 2.31 0.03 3.99 -1.94 -1.26 0.15 119.30 123.63 1wvz s MET 44 Ca 0.04 -1.01 0.05 0.00 -1.71 0.00 0.00 55.69 53.06 1wvz s MET 44 Cb -0.20 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 1wvz s MET 44 CO -0.05 0.50 -0.09 1.03 -0.01 0.00 0.00 175.02 176.39 1wvz s ARG 45 N -2.46 2.39 -0.24 2.03 1.81 0.32 -4.90 118.95 117.90 1wvz s ARG 45 Ca 0.24 -0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 53.37 1wvz s ARG 45 Cb -0.11 -2.41 -0.02 0.00 -0.45 0.00 0.00 34.95 31.97 1wvz s ARG 45 CO 0.16 0.57 0.03 -1.58 -0.68 0.00 0.00 175.30 173.80 1wvz s TRP 46 N -1.03 3.04 -0.07 -0.53 0.51 -1.26 -2.58 118.94 117.02 1wvz s TRP 46 Ca 0.18 -0.67 -0.01 0.00 -2.12 0.00 0.00 56.10 53.48 1wvz s TRP 46 Cb -0.11 -2.19 0.03 0.00 -0.81 0.00 0.00 33.47 30.39 1wvz s TRP 46 CO 0.09 -0.45 -0.01 -0.51 -0.51 0.00 0.00 176.95 175.55 1wvz s LEU 47 N 1.55 0.81 -0.16 2.99 1.02 -1.06 -2.47 118.68 121.36 1wvz s LEU 47 Ca 0.06 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1wvz s LEU 47 Cb -0.15 -0.45 0.03 0.00 0.02 0.00 0.00 46.19 45.64 1wvz s LEU 47 CO 0.01 -0.16 -0.10 -1.59 0.02 0.00 0.00 176.35 174.53 1wvz s LYS 48 N 1.68 1.92 -1.62 1.70 -2.85 0.38 0.15 119.74 121.10 1wvz s LYS 48 Ca 0.01 -0.61 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 1wvz s LYS 48 Cb -0.13 -2.12 0.11 0.00 -2.06 0.00 0.00 37.83 33.62 1wvz s LYS 48 CO -0.04 -0.35 0.59 -1.71 0.10 0.00 0.00 175.35 173.94 1wvz n ASN 49 N 4.79 -1.91 -0.11 0.03 2.85 0.73 0.88 115.26 122.52 1wvz n ASN 49 Ca -0.15 -1.06 -0.01 0.00 -0.11 0.00 0.00 54.58 53.25 1wvz n ASN 49 Cb 0.48 -2.62 -0.01 0.00 1.24 0.00 0.00 39.78 38.88 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 -1.66 0.47 3.13 8.20 0.00 -1.26 -5.03 105.19 109.03 1wvz n GLY 50 Ca -0.07 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.32 2.79 -0.04 1.61 2.36 0.26 -5.12 119.74 119.27 1wvz s LYS 51 Ca 0.00 -0.77 -0.02 0.00 -2.55 0.00 0.00 55.97 52.64 1wvz s LYS 51 Cb 0.00 -2.32 -0.04 0.00 -1.05 0.00 0.00 37.83 34.42 1wvz s LYS 51 CO 0.00 -0.08 0.07 -1.83 1.55 0.00 0.00 175.35 175.06 1wvz s GLU 52 N 0.99 3.10 -0.00 4.03 -1.05 -1.26 0.14 118.70 124.65 1wvz s GLU 52 Ca -0.04 -0.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.37 1wvz s GLU 52 Cb -0.15 -2.89 -0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1wvz s GLU 52 CO -0.05 0.68 -0.02 0.12 0.95 0.00 0.00 175.26 176.94 1wvz s PHE 53 N -1.10 0.20 0.18 4.83 5.36 -1.03 -5.01 117.98 121.41 1wvz s PHE 53 Ca 0.20 -0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 55.99 1wvz s PHE 53 Cb -0.12 -0.13 -0.07 0.00 -0.34 0.00 0.00 43.02 42.35 1wvz s PHE 53 CO 0.10 -0.01 0.59 0.15 -1.46 0.00 0.00 175.22 174.59 1wvz s LYS 54 N -0.01 4.00 0.57 10.12 -0.14 -1.25 -4.37 119.74 128.65 1wvz s LYS 54 Ca 0.00 0.53 0.33 0.00 -1.36 0.00 0.00 55.97 55.48 1wvz s LYS 54 Cb -0.01 -2.86 1.74 0.00 -1.68 0.00 0.00 37.83 35.02 1wvz s LYS 54 CO -0.00 0.43 2.16 -0.56 -0.76 0.00 0.00 175.35 176.61 1wvz h GLN 55 N 3.33 0.00 0.00 1.68 3.07 -1.96 -1.42 115.11 119.81 1wvz h GLN 55 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.20 1wvz h GLN 55 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 1wvz h GLN 55 CO 0.66 0.06 -0.26 1.05 0.09 0.00 0.00 178.83 180.43 1wvz h GLU 56 N 0.00 0.00 -4.07 0.06 4.11 -1.94 -3.43 114.58 109.31 1wvz h GLU 56 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1wvz h GLU 56 Cb 0.24 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.13 1wvz h GLU 56 CO 0.01 0.26 -0.79 -1.58 0.07 0.00 0.00 179.01 176.98 1wvz s HIS 57 N -3.42 1.06 0.03 2.06 5.04 -0.53 -5.11 115.29 114.42 1wvz s HIS 57 Ca 0.02 -0.42 -0.03 0.00 -1.54 0.00 0.00 55.06 53.10 1wvz s HIS 57 Cb 0.09 -0.95 -0.02 0.00 0.04 0.00 0.00 32.58 31.74 1wvz s HIS 57 CO 0.66 -0.35 0.03 1.03 -2.34 0.00 0.00 174.74 173.77 1wvz s ARG 58 N 1.44 0.46 -0.66 2.88 0.52 -1.26 -3.97 118.95 118.37 1wvz s ARG 58 Ca -0.02 -0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 54.21 1wvz s ARG 58 Cb -0.13 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 1wvz s ARG 58 CO -0.04 -0.10 1.83 0.42 0.02 0.00 0.00 175.30 177.44 1wvz s ILE 59 N -2.18 3.39 0.00 1.52 -1.09 -1.26 -2.19 121.20 119.40 1wvz s ILE 59 Ca -0.09 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1wvz s ILE 59 Cb -0.04 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1wvz s ILE 59 CO -0.03 -0.99 0.00 0.61 -1.23 0.00 0.00 174.94 173.30 1wvz n GLY 60 N 5.82 1.98 0.09 6.18 0.00 -1.26 -3.92 105.19 114.07 1wvz n GLY 60 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.33 1.56 3.94 -0.02 0.00 -0.93 -5.06 105.19 104.35 1wvz n GLY 61 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1wvz n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wvz s TYR 62 N -2.02 3.19 0.25 1.61 1.51 -1.26 -5.00 117.35 115.63 1wvz s TYR 62 Ca 0.00 0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 56.23 1wvz s TYR 62 Cb 0.00 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1wvz s TYR 62 CO 0.00 -0.56 0.55 -1.59 -1.11 0.00 0.00 175.55 172.84 1wvz s LYS 63 N -4.71 1.60 0.30 -0.62 -2.85 -0.33 -4.61 119.74 108.53 1wvz s LYS 63 Ca 0.51 -1.15 -0.18 0.00 -1.00 0.00 0.00 55.97 54.14 1wvz s LYS 63 Cb -0.10 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1wvz s LYS 63 CO 0.40 -0.69 0.78 0.54 0.10 0.00 0.00 175.35 176.48 1wvz s VAL 64 N -3.98 4.56 -0.04 1.79 0.11 -1.26 -1.96 120.40 119.62 1wvz s VAL 64 Ca 0.18 1.22 -0.27 0.00 -2.93 0.00 0.00 61.98 60.18 1wvz s VAL 64 Cb -0.02 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 1wvz s VAL 64 CO 0.08 -0.04 0.88 -0.13 -3.33 0.00 0.00 175.10 172.55 1wvz s ARG 65 N -2.58 4.50 -0.33 1.54 0.52 0.08 -3.89 118.95 118.78 1wvz s ARG 65 Ca 0.51 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 1wvz s ARG 65 Cb -0.13 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1wvz s ARG 65 CO 0.19 -0.04 0.00 0.09 0.02 0.00 0.00 175.30 175.55 1wvz n ASN 66 N 4.00 -1.77 -1.86 0.23 3.02 -1.26 0.44 115.26 118.07 1wvz n ASN 66 Ca 0.04 0.36 -0.16 0.00 -0.03 0.00 0.00 54.58 54.79 1wvz n ASN 66 Cb 0.51 -1.65 -0.04 0.00 -0.61 0.00 0.00 39.78 37.98 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1wvz n GLN 67 N -2.41 -1.62 -3.61 3.52 -0.06 -1.25 -4.87 117.38 107.08 1wvz n GLN 67 Ca -0.04 0.87 -0.02 0.00 -2.00 0.00 0.00 57.00 55.81 1wvz n GLN 67 Cb 0.48 -5.30 -0.01 0.00 -4.06 0.00 0.00 30.24 21.34 1wvz n GLN 67 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1wvz s HIS 68 N -2.53 -0.08 0.00 3.69 -3.43 0.17 -4.81 115.29 108.30 1wvz s HIS 68 Ca 0.00 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1wvz s HIS 68 Cb 0.00 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1wvz s HIS 68 CO 0.00 -0.18 0.00 1.87 -2.00 0.00 0.00 174.74 174.43 1wvz n TRP 69 N -0.22 0.00 -3.72 0.38 -0.00 -1.25 -4.49 117.44 108.14 1wvz n TRP 69 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.14 1wvz n TRP 69 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.85 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wvz s SER 70 N -4.00 6.52 -0.05 5.87 1.04 -1.26 -1.15 113.70 120.67 1wvz s SER 70 Ca 0.00 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1wvz s SER 70 Cb 0.00 -2.10 0.03 0.00 0.10 0.00 0.00 66.02 64.05 1wvz s SER 70 CO 0.00 0.22 0.08 -1.48 0.98 0.00 0.00 173.24 173.04 1wvz s LEU 71 N -1.88 0.19 -0.26 2.42 2.34 0.17 -0.74 118.68 120.92 1wvz s LEU 71 Ca 0.30 0.13 -0.09 0.00 0.06 0.00 0.00 54.13 54.53 1wvz s LEU 71 Cb -0.13 -0.05 -0.04 0.00 -0.56 0.00 0.00 46.19 45.41 1wvz s LEU 71 CO 0.18 -0.24 0.11 -0.51 -1.06 0.00 0.00 176.35 174.83 1wvz s ILE 72 N 2.08 4.68 0.02 1.48 2.07 -0.83 -0.19 121.20 130.51 1wvz s ILE 72 Ca 0.03 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.29 1wvz s ILE 72 Cb -0.12 -3.21 -0.02 0.00 0.13 0.00 0.00 42.46 39.24 1wvz s ILE 72 CO -0.04 0.30 -0.20 0.00 -1.91 0.00 0.00 174.94 173.10 1wvz s MET 73 N 1.67 1.44 -0.25 3.50 0.23 -0.82 -1.19 119.30 123.89 1wvz s MET 73 Ca 0.07 -0.83 -0.12 0.00 -1.03 0.00 0.00 55.69 53.77 1wvz s MET 73 Cb -0.15 -1.48 -0.05 0.00 -1.53 0.00 0.00 34.83 31.62 1wvz s MET 73 CO 0.06 0.39 0.25 -2.00 -2.03 0.00 0.00 175.02 171.69 1wvz s GLU 74 N -0.88 4.06 -0.29 3.16 2.12 -1.25 0.12 118.70 125.74 1wvz s GLU 74 Ca 0.07 -0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.26 1wvz s GLU 74 Cb -0.08 -3.58 0.09 0.00 0.26 0.00 0.00 34.13 30.82 1wvz s GLU 74 CO 0.01 -0.06 0.06 0.45 -0.54 0.00 0.00 175.26 175.18 1wvz s SER 75 N 1.29 3.94 -0.23 -1.70 0.15 -1.22 -4.09 113.70 111.84 1wvz s SER 75 Ca 0.11 -1.52 -0.12 0.00 0.70 0.00 0.00 55.95 55.12 1wvz s SER 75 Cb -0.15 -0.97 -0.17 0.00 -1.71 0.00 0.00 66.02 63.03 1wvz s SER 75 CO 0.07 -0.37 -0.08 0.55 1.20 0.00 0.00 173.24 174.62 1wvz n VAL 76 N 4.78 1.56 -0.09 4.45 3.14 -1.26 -4.02 118.33 126.89 1wvz n VAL 76 Ca -0.04 -0.37 -0.23 0.00 -2.96 0.00 0.00 64.34 60.74 1wvz n VAL 76 Cb 0.43 -1.80 -0.12 0.00 -1.06 0.00 0.00 33.84 31.29 1wvz n VAL 76 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wvz n VAL 77 N -3.97 1.58 0.28 1.55 0.31 -1.26 -4.04 118.33 112.78 1wvz n VAL 77 Ca -0.44 -0.20 0.11 0.00 -0.01 0.00 0.00 64.34 63.80 1wvz n VAL 77 Cb 0.88 -1.95 0.51 0.00 -0.91 0.00 0.00 33.84 32.37 1wvz n VAL 77 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wvz n PRO 78 N -4.20 0.16 0.18 5.55 -0.02 -1.26 -2.60 135.00 132.80 1wvz n PRO 78 Ca -0.35 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1wvz n PRO 78 Cb 0.78 -1.88 0.76 0.00 -0.02 0.00 0.00 33.50 33.14 1wvz n PRO 78 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wvz h SER 79 N 0.00 0.00 -0.64 2.55 4.64 -1.73 0.32 113.55 118.70 1wvz h SER 79 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1wvz h SER 79 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1wvz h SER 79 CO 0.00 0.00 0.42 0.44 -0.87 0.00 0.00 176.83 176.82 1wvz h ASP 80 N 0.00 0.51 -3.50 4.97 5.19 -1.78 -3.35 116.42 118.46 1wvz h ASP 80 Ca 0.13 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.88 1wvz h ASP 80 Cb 0.95 -0.10 -0.16 0.00 0.18 0.00 0.00 39.33 40.19 1wvz h ASP 80 CO -0.00 0.33 0.06 -1.59 -3.12 0.00 0.00 179.24 174.92 1wvz s LYS 81 N -5.53 3.21 -0.90 3.56 -2.85 0.11 -4.79 119.74 112.56 1wvz s LYS 81 Ca -0.09 -0.54 -0.02 0.00 -1.00 0.00 0.00 55.97 54.32 1wvz s LYS 81 Cb 0.19 -3.99 0.31 0.00 -2.06 0.00 0.00 37.83 32.28 1wvz s LYS 81 CO 0.76 -1.04 2.05 0.41 0.10 0.00 0.00 175.35 177.62 1wvz n GLY 82 N 5.08 5.61 2.93 0.59 0.00 -1.26 -4.88 105.19 113.27 1wvz n GLY 82 Ca -0.04 -2.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.97 3.59 -0.06 1.61 2.47 -1.26 -1.25 114.94 119.06 1wvz s ASN 83 Ca 0.49 -1.04 0.06 0.00 0.42 0.00 0.00 52.86 52.79 1wvz s ASN 83 Cb 0.34 -1.13 -0.01 0.00 -1.45 0.00 0.00 41.25 39.01 1wvz s ASN 83 CO -0.30 -0.21 -0.25 -0.31 -3.72 0.00 0.00 177.10 172.31 1wvz s TYR 84 N 1.45 2.43 -0.13 0.43 1.51 -1.01 -0.19 117.35 121.83 1wvz s TYR 84 Ca -0.04 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1wvz s TYR 84 Cb -0.18 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1wvz s TYR 84 CO -0.07 -0.25 -0.13 0.95 -1.11 0.00 0.00 175.55 174.94 1wvz s THR 85 N -0.07 1.45 -0.46 -0.71 -4.23 0.40 0.52 115.64 112.54 1wvz s THR 85 Ca -0.06 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1wvz s THR 85 Cb -0.14 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.40 1wvz s THR 85 CO 0.04 0.44 0.37 0.00 -0.54 0.00 0.00 174.62 174.93 1wvz s VAL 87 N 1.61 3.75 -0.39 0.00 1.01 -1.07 -0.58 120.40 124.75 1wvz s VAL 87 Ca 0.04 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 1wvz s VAL 87 Cb -0.24 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1wvz s VAL 87 CO 0.06 -0.51 0.39 -0.69 0.00 0.00 0.00 175.10 174.36 1wvz s VAL 88 N 1.31 5.14 0.06 2.92 1.01 -0.91 0.12 120.40 130.05 1wvz s VAL 88 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1wvz s VAL 88 Cb -0.23 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1wvz s VAL 88 CO -0.00 -0.27 0.15 -0.70 0.00 0.00 0.00 175.10 174.27 1wvz s GLU 89 N 2.04 3.18 0.13 2.72 2.12 0.39 -1.85 118.70 127.43 1wvz s GLU 89 Ca 0.11 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 1wvz s GLU 89 Cb -0.17 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 1wvz s GLU 89 CO 0.12 0.60 0.10 0.54 -0.54 0.00 0.00 175.26 176.08 1wvz s ASN 90 N -2.39 0.25 0.39 -1.70 4.22 0.34 -1.96 114.94 114.10 1wvz s ASN 90 Ca 0.32 -1.12 0.27 0.00 -2.14 0.00 0.00 52.86 50.18 1wvz s ASN 90 Cb -0.13 0.32 1.39 0.00 1.28 0.00 0.00 41.25 44.12 1wvz s ASN 90 CO 0.24 -0.76 1.83 -0.08 -2.04 0.00 0.00 177.10 176.29 1wvz h GLU 91 N 2.80 0.00 -0.02 3.55 4.57 -1.88 -0.74 114.58 122.87 1wvz h GLU 91 Ca -0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1wvz h GLU 91 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1wvz h GLU 91 CO 0.57 0.00 -0.19 0.98 -1.18 0.00 0.00 179.01 179.19 1wvz n TYR 92 N -2.47 0.00 0.00 0.92 9.36 -1.26 -5.05 117.16 118.66 1wvz n TYR 92 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1wvz n TYR 92 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wvz n GLY 93 N 1.31 1.70 3.11 2.98 0.00 -0.28 -4.94 105.19 109.07 1wvz n GLY 93 Ca 0.11 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1wvz n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvz s SER 94 N 0.00 1.67 0.14 1.61 1.04 -1.26 0.13 113.70 117.02 1wvz s SER 94 Ca 0.00 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1wvz s SER 94 CO 0.00 0.17 -0.17 -0.63 0.98 0.00 0.00 173.24 173.59 1wvz s ILE 95 N -0.33 1.62 -0.02 -1.02 1.01 -0.77 -4.99 121.20 116.69 1wvz s ILE 95 Ca 0.05 -1.78 0.05 0.00 0.00 0.00 0.00 60.65 58.97 1wvz s ILE 95 Cb -0.05 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1wvz s ILE 95 CO -0.01 -0.31 -0.18 0.54 0.00 0.00 0.00 174.94 174.98 1wvz s ASN 96 N -2.47 2.18 -0.03 3.58 2.20 -1.26 -2.14 114.94 117.01 1wvz s ASN 96 Ca 0.12 -0.34 0.01 0.00 -0.94 0.00 0.00 52.86 51.70 1wvz s ASN 96 Cb -0.06 -0.34 0.02 0.00 -2.00 0.00 0.00 41.25 38.87 1wvz s ASN 96 CO 0.05 0.21 -0.03 -1.00 -2.94 0.00 0.00 177.10 173.39 1wvz s HIS 97 N -0.31 0.56 -0.10 1.54 3.76 0.26 -4.97 115.29 116.03 1wvz s HIS 97 Ca 0.04 -0.12 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1wvz s HIS 97 Cb -0.08 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 1wvz s HIS 97 CO 0.00 -0.13 -0.07 0.99 -0.85 0.00 0.00 174.74 174.67 1wvz s THR 98 N 0.74 3.63 -0.05 1.30 2.01 -1.26 0.76 115.64 122.77 1wvz s THR 98 Ca -0.09 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.47 1wvz s THR 98 Cb -0.12 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1wvz s THR 98 CO -0.00 0.56 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.99 1wvz s TYR 99 N -0.29 1.85 -0.55 4.92 2.02 0.19 -4.76 117.35 120.72 1wvz s TYR 99 Ca 0.04 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 1wvz s TYR 99 Cb -0.13 -1.24 0.13 0.00 -0.40 0.00 0.00 41.96 40.33 1wvz s TYR 99 CO 0.02 -0.18 0.50 -1.01 -1.57 0.00 0.00 175.55 173.31 1wvz s HIS 100 N -0.00 3.31 0.11 2.71 3.76 -0.73 -2.41 115.29 122.04 1wvz s HIS 100 Ca -0.04 -1.42 0.02 0.00 -0.15 0.00 0.00 55.06 53.47 1wvz s HIS 100 Cb -0.12 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.78 1wvz s HIS 100 CO 0.02 -1.01 0.23 -0.51 -0.85 0.00 0.00 174.74 172.62 1wvz s LEU 101 N 1.47 4.25 0.02 0.89 1.02 -0.38 -2.61 118.68 123.34 1wvz s LEU 101 Ca 0.04 0.16 0.07 0.00 0.02 0.00 0.00 54.13 54.43 1wvz s LEU 101 Cb -0.28 -2.85 -0.02 0.00 0.02 0.00 0.00 46.19 43.06 1wvz s LEU 101 CO 0.02 0.10 -0.21 -0.62 0.02 0.00 0.00 176.35 175.66 1wvz s ASP 102 N -2.90 2.46 -0.11 2.29 -1.08 -1.02 -4.36 116.67 111.94 1wvz s ASP 102 Ca 0.34 -0.46 -0.30 0.00 -0.52 0.00 0.00 52.55 51.61 1wvz s ASP 102 Cb -0.12 -0.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.09 1wvz s ASP 102 CO 0.27 0.20 1.11 -0.69 0.52 0.00 0.00 175.17 176.59 1wvz s VAL 103 N -0.67 4.52 0.00 1.11 1.01 -1.26 -2.60 120.40 122.51 1wvz s VAL 103 Ca 0.08 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1wvz s VAL 103 Cb -0.08 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1wvz s VAL 103 CO 0.01 -0.04 0.38 0.52 0.00 0.00 0.00 175.10 175.96