#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 0.40 -4.66 6.41 3.02 -1.26 -5.03 115.26 114.15 1wvz n ASN 5 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1wvz n ASN 5 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wvz s LYS 6 N 1.17 4.24 -0.05 3.52 3.01 -1.26 -4.27 119.74 126.10 1wvz s LYS 6 Ca 0.00 1.21 -0.01 0.00 -1.01 0.00 0.00 55.97 56.16 1wvz s LYS 6 Cb 0.00 -3.64 0.03 0.00 -1.01 0.00 0.00 37.83 33.21 1wvz s LYS 6 CO 0.00 -0.57 0.03 1.03 0.51 0.00 0.00 175.35 176.35 1wvz s ARG 7 N 3.00 0.20 -0.37 1.68 3.00 -1.26 -4.41 118.95 120.78 1wvz s ARG 7 Ca 0.41 0.23 -0.34 0.00 0.00 0.00 0.00 55.73 56.03 1wvz s ARG 7 Cb -0.15 -0.63 -0.15 0.00 0.00 0.00 0.00 34.95 34.03 1wvz s ARG 7 CO 0.07 -0.28 1.40 0.00 0.00 0.00 0.00 175.30 176.49 1wvz n ALA 8 N 4.97 -0.42 -2.65 2.13 0.00 -1.26 -2.80 120.51 120.48 1wvz n ALA 8 Ca -0.10 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1wvz n ALA 8 Cb 0.50 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1wvz n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wvz s PRO 9 N 3.36 4.23 0.13 0.00 0.05 -1.26 -4.72 135.00 136.79 1wvz s PRO 9 Ca 0.84 0.99 -0.26 0.00 0.05 0.00 0.00 61.00 62.62 1wvz s PRO 9 Cb -1.12 -3.62 -0.07 0.00 0.05 0.00 0.00 34.50 29.74 1wvz s PRO 9 CO 0.55 -0.46 0.81 0.71 0.05 0.00 0.00 177.00 178.66 1wvz s TYR 10 N 2.62 3.85 0.10 0.56 1.51 0.48 -4.64 117.35 121.84 1wvz s TYR 10 Ca 0.36 1.62 -0.36 0.00 -1.01 0.00 0.00 57.07 57.69 1wvz s TYR 10 Cb -0.16 -2.83 -0.15 0.00 -0.11 0.00 0.00 41.96 38.71 1wvz s TYR 10 CO 0.09 0.40 1.45 -2.67 -1.11 0.00 0.00 175.55 173.72 1wvz n TRP 11 N 2.09 1.84 -0.06 2.71 2.14 -1.26 -0.01 117.44 124.89 1wvz n TRP 11 Ca -0.04 0.48 -0.05 0.00 2.07 0.00 0.00 57.50 59.96 1wvz n TRP 11 Cb 0.49 -2.42 -0.02 0.00 -0.81 0.00 0.00 31.31 28.55 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 2.97 0.95 -3.62 -1.67 -1.04 -1.05 -4.74 114.28 106.07 1wvz n THR 12 Ca 0.18 0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 62.10 1wvz n THR 12 Cb 0.23 -2.05 -0.06 0.00 -1.82 0.00 0.00 70.33 66.62 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1wvz s ASN 13 N -5.17 6.54 -0.04 8.00 0.01 -1.25 -5.04 114.94 117.99 1wvz s ASN 13 Ca -0.17 0.63 -0.30 0.00 -0.71 0.00 0.00 52.86 52.32 1wvz s ASN 13 Cb 0.02 -2.17 -0.06 0.00 0.41 0.00 0.00 41.25 39.45 1wvz s ASN 13 CO 0.25 0.26 1.74 0.42 -1.51 0.00 0.00 177.10 178.25 1wvz s THR 14 N -0.42 3.44 -1.12 1.60 -4.23 -1.26 -4.78 115.64 108.87 1wvz s THR 14 Ca 0.18 0.53 0.25 0.00 -1.18 0.00 0.00 61.69 61.47 1wvz s THR 14 Cb -0.14 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.63 1wvz s THR 14 CO 0.07 -0.06 1.82 -0.62 -0.54 0.00 0.00 174.62 175.29 1wvz n GLU 15 N 7.29 0.10 0.26 3.99 4.71 -1.26 -2.70 120.64 133.02 1wvz n GLU 15 Ca 0.18 0.06 0.16 0.00 -0.01 0.00 0.00 57.16 57.56 1wvz n GLU 15 Cb 0.42 -1.50 0.62 0.00 -1.01 0.00 0.00 31.44 29.98 1wvz n GLU 15 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1wvz h LYS 16 N 0.00 0.00 -0.01 3.49 3.64 -1.95 -2.71 116.57 119.03 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 0.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1wvz h LYS 16 CO 0.00 0.00 -0.15 -1.33 -2.27 0.00 0.00 179.45 175.70 1wvz n MET 17 N -3.01 1.42 0.00 1.90 2.81 -1.10 -4.70 117.12 114.44 1wvz n MET 17 Ca 0.01 -2.82 0.00 0.00 -1.81 0.00 0.00 57.70 53.08 1wvz n MET 17 Cb 0.32 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.32 0.00 -3.10 0.03 2.13 -1.03 -5.02 120.64 112.34 1wvz n GLU 18 Ca 0.17 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.79 1wvz n GLU 18 Cb 0.67 -0.05 -0.04 0.00 0.27 0.00 0.00 31.44 32.28 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1wvz n LYS 19 N -2.02 0.75 0.00 5.31 3.00 -1.17 -5.05 118.16 118.98 1wvz n LYS 19 Ca 0.00 -2.93 0.00 0.00 -0.00 0.00 0.00 58.31 55.38 1wvz n LYS 19 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1wvz n LYS 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1wvz n ARG 20 N 1.34 0.00 -2.30 1.64 -4.01 -1.25 -4.71 116.66 107.37 1wvz n ARG 20 Ca 0.19 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.66 1wvz n ARG 20 Cb 0.56 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.94 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wvz s LEU 21 N 0.00 3.34 0.00 2.89 1.43 -1.10 -3.60 118.68 121.64 1wvz s LEU 21 Ca 0.00 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.01 1wvz s LEU 21 Cb 0.00 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1wvz s LEU 21 CO 0.00 -2.14 0.15 1.41 0.23 0.00 0.00 176.35 176.01 1wvz n HIS 22 N 11.46 -0.18 -4.93 0.29 8.25 -1.07 -5.03 115.22 124.02 1wvz n HIS 22 Ca 0.37 -2.06 -0.28 0.00 -0.26 0.00 0.00 57.72 55.50 1wvz n HIS 22 Cb 0.49 0.09 -0.17 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.92 1.72 -0.06 -1.41 0.00 -1.26 -0.62 121.76 117.21 1wvz s ALA 23 Ca 0.22 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1wvz s ALA 23 Cb 0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1wvz s ALA 23 CO 0.15 0.24 -0.24 0.08 0.00 0.00 0.00 175.76 176.00 1wvz s VAL 24 N 0.34 2.20 0.30 0.00 1.01 0.77 -4.92 120.40 120.09 1wvz s VAL 24 Ca -0.13 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 1wvz s VAL 24 Cb -0.15 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1wvz s VAL 24 CO 0.05 0.57 1.10 -2.16 0.00 0.00 0.00 175.10 174.67 1wvz s PRO 25 N -0.25 4.56 0.44 2.72 0.04 -1.26 -0.77 135.00 140.49 1wvz s PRO 25 Ca -0.01 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 1wvz s PRO 25 Cb -0.13 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1wvz s PRO 25 CO 0.03 0.14 1.14 0.00 0.04 0.00 0.00 177.00 178.35 1wvz s ALA 26 N -1.22 3.01 0.00 8.56 0.00 -0.40 -3.03 121.76 128.68 1wvz s ALA 26 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1wvz s ALA 26 Cb -0.31 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1wvz s ALA 26 CO 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 175.76 175.61 1wvz n ALA 27 N -0.37 0.00 -2.49 0.00 0.00 -1.23 -5.02 120.51 111.41 1wvz n ALA 27 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 1wvz n ALA 27 Cb 0.48 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.14 4.42 0.29 0.00 3.84 -1.17 -4.80 114.94 115.38 1wvz s ASN 28 Ca 0.00 -0.97 -0.26 0.00 0.21 0.00 0.00 52.86 51.83 1wvz s ASN 28 Cb 0.00 -0.56 -0.09 0.00 -0.55 0.00 0.00 41.25 40.05 1wvz s ASN 28 CO 0.00 -0.39 0.91 0.42 -2.79 0.00 0.00 177.10 175.25 1wvz s THR 29 N -2.53 4.23 -0.23 -5.21 -4.23 -1.26 -3.98 115.64 102.42 1wvz s THR 29 Ca 0.38 1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 62.61 1wvz s THR 29 Cb 0.01 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.74 1wvz s THR 29 CO 0.22 0.24 0.15 -0.69 -0.54 0.00 0.00 174.62 173.99 1wvz s VAL 30 N -1.50 5.34 -0.27 2.29 1.01 0.88 -4.98 120.40 123.17 1wvz s VAL 30 Ca 0.47 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1wvz s VAL 30 Cb -0.20 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1wvz s VAL 30 CO 0.25 0.37 0.73 -0.75 0.00 0.00 0.00 175.10 175.70 1wvz s LYS 31 N 0.90 4.09 -0.16 2.72 2.36 -1.26 -2.08 119.74 126.31 1wvz s LYS 31 Ca 0.07 0.67 0.01 0.00 -2.55 0.00 0.00 55.97 54.17 1wvz s LYS 31 Cb -0.13 -3.67 0.02 0.00 -1.05 0.00 0.00 37.83 33.00 1wvz s LYS 31 CO 0.03 -0.52 -0.16 0.12 1.55 0.00 0.00 175.35 176.37 1wvz s PHE 32 N 2.73 2.34 -0.14 4.03 5.36 0.09 -5.00 117.98 127.40 1wvz s PHE 32 Ca 0.30 -1.35 -0.05 0.00 -0.96 0.00 0.00 56.93 54.88 1wvz s PHE 32 Cb -0.15 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1wvz s PHE 32 CO 0.09 -0.71 0.04 1.03 -1.46 0.00 0.00 175.22 174.21 1wvz s ARG 33 N 1.43 3.52 -0.45 10.12 1.81 -1.26 0.12 118.95 134.24 1wvz s ARG 33 Ca 0.05 -0.35 0.07 0.00 -1.72 0.00 0.00 55.73 53.78 1wvz s ARG 33 Cb -0.13 -3.03 0.28 0.00 -0.45 0.00 0.00 34.95 31.62 1wvz s ARG 33 CO -0.11 0.50 0.89 0.00 -0.68 0.00 0.00 175.30 175.89 1wvz s PRO 35 N -0.14 4.18 -0.14 0.00 0.04 -0.88 -4.16 135.00 133.90 1wvz s PRO 35 Ca 0.30 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1wvz s PRO 35 Cb 0.26 -3.72 0.04 0.00 0.04 0.00 0.00 34.50 31.12 1wvz s PRO 35 CO -0.14 -0.76 -0.00 0.00 0.04 0.00 0.00 177.00 176.14 1wvz s ALA 36 N 3.49 1.01 0.00 8.56 0.00 -1.06 -2.54 121.76 131.22 1wvz s ALA 36 Ca 0.48 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1wvz s ALA 36 Cb -0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1wvz s ALA 36 CO 0.12 -0.78 1.25 0.20 0.00 0.00 0.00 175.76 176.55 1wvz s GLY 37 N 1.85 2.16 0.00 0.00 0.00 0.99 -4.68 107.32 107.63 1wvz s GLY 37 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1wvz s GLY 37 CO -0.07 2.21 0.00 0.61 0.00 0.00 0.00 173.10 175.85 1wvz n GLY 38 N 3.37 1.98 3.75 0.20 0.00 -1.26 0.18 105.19 113.41 1wvz n GLY 38 Ca 0.11 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1wvz n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvz s ASN 39 N 2.00 2.93 0.00 1.61 0.02 -1.12 -4.92 114.94 115.46 1wvz s ASN 39 Ca 0.00 0.88 0.18 0.00 -1.02 0.00 0.00 52.86 52.90 1wvz s ASN 39 Cb 0.00 -1.37 1.09 0.00 0.02 0.00 0.00 41.25 40.99 1wvz s ASN 39 CO 0.00 -2.91 1.55 -0.81 0.02 0.00 0.00 177.10 174.95 1wvz n PRO 40 N -3.99 0.75 -3.56 -0.60 -0.04 -1.26 -4.18 135.00 122.13 1wvz n PRO 40 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1wvz n PRO 40 Cb 0.59 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.88 1.95 -3.69 0.54 1.56 -1.26 -5.08 117.12 110.26 1wvz n MET 41 Ca 0.14 -4.36 -0.36 0.00 -0.27 0.00 0.00 57.70 52.85 1wvz n MET 41 Cb 0.06 -2.12 -0.09 0.00 2.15 0.00 0.00 33.22 33.22 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 -1.83 4.11 -0.37 2.12 0.04 -1.26 -4.46 135.00 133.36 1wvz s PRO 42 Ca 0.34 -0.25 -0.14 0.00 0.04 0.00 0.00 61.00 60.99 1wvz s PRO 42 Cb 0.08 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wvz s PRO 42 CO -0.09 0.15 0.27 0.95 0.04 0.00 0.00 177.00 178.32 1wvz s THR 43 N 0.79 5.25 -0.10 1.26 -4.23 -0.81 -5.02 115.64 112.77 1wvz s THR 43 Ca 0.08 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1wvz s THR 43 Cb -0.13 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 1wvz s THR 43 CO 0.02 -0.15 -0.05 0.00 -0.54 0.00 0.00 174.62 173.90 1wvz s MET 44 N 1.70 3.06 0.06 3.99 0.23 -1.26 0.10 119.30 127.18 1wvz s MET 44 Ca 0.05 -0.51 0.06 0.00 -1.03 0.00 0.00 55.69 54.26 1wvz s MET 44 Cb -0.18 -2.72 -0.04 0.00 -1.53 0.00 0.00 34.83 30.36 1wvz s MET 44 CO 0.10 0.55 -0.11 1.03 -2.03 0.00 0.00 175.02 174.56 1wvz s ARG 45 N -0.48 2.23 -0.23 3.16 0.52 0.40 -4.96 118.95 119.60 1wvz s ARG 45 Ca 0.07 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1wvz s ARG 45 Cb -0.12 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 1wvz s ARG 45 CO 0.02 0.54 -0.02 -1.58 0.02 0.00 0.00 175.30 174.28 1wvz s TRP 46 N -1.07 2.99 -0.09 -0.53 0.23 -1.26 -2.51 118.94 116.69 1wvz s TRP 46 Ca 0.18 -0.93 0.00 0.00 -2.03 0.00 0.00 56.10 53.33 1wvz s TRP 46 Cb -0.11 -2.13 0.02 0.00 0.03 0.00 0.00 33.47 31.29 1wvz s TRP 46 CO 0.10 -0.54 -0.08 -1.17 0.96 0.00 0.00 176.95 176.21 1wvz s LEU 47 N 1.48 1.29 -0.23 2.99 0.20 -1.03 -2.53 118.68 120.85 1wvz s LEU 47 Ca 0.05 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.63 1wvz s LEU 47 Cb -0.15 -0.75 0.05 0.00 -0.43 0.00 0.00 46.19 44.92 1wvz s LEU 47 CO -0.02 -0.07 -0.09 -1.59 -0.29 0.00 0.00 176.35 174.28 1wvz s LYS 48 N 1.31 2.00 -0.84 1.98 -2.85 0.43 -0.07 119.74 121.70 1wvz s LYS 48 Ca -0.03 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1wvz s LYS 48 Cb -0.14 -2.63 0.00 0.00 -2.06 0.00 0.00 37.83 33.00 1wvz s LYS 48 CO -0.03 -0.52 0.00 -1.71 0.10 0.00 0.00 175.35 173.19 1wvz n ASN 49 N 4.60 -3.22 0.00 0.03 2.85 -0.43 0.13 115.26 119.22 1wvz n ASN 49 Ca -0.14 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1wvz n ASN 49 Cb 0.44 -2.79 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 -0.70 0.24 3.70 8.20 0.00 -1.26 -5.06 105.19 110.30 1wvz n GLY 50 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.93 4.23 -0.06 1.61 2.36 0.35 -5.08 119.74 122.22 1wvz s LYS 51 Ca 0.00 0.21 -0.02 0.00 -2.55 0.00 0.00 55.97 53.61 1wvz s LYS 51 Cb 0.00 -3.49 -0.04 0.00 -1.05 0.00 0.00 37.83 33.26 1wvz s LYS 51 CO 0.00 0.08 0.04 -1.21 1.55 0.00 0.00 175.35 175.81 1wvz s GLU 52 N 0.95 3.06 -0.03 4.03 2.02 -1.26 0.16 118.70 127.62 1wvz s GLU 52 Ca 0.19 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 1wvz s GLU 52 Cb -0.14 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.25 1wvz s GLU 52 CO 0.07 0.70 0.03 -0.06 0.02 0.00 0.00 175.26 176.02 1wvz s PHE 53 N -1.00 0.16 0.00 1.61 0.40 -1.05 -4.96 117.98 113.14 1wvz s PHE 53 Ca 0.16 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1wvz s PHE 53 Cb -0.12 -0.42 0.00 0.00 0.51 0.00 0.00 43.02 42.99 1wvz s PHE 53 CO 0.06 -0.16 0.00 1.17 0.70 0.00 0.00 175.22 176.99 1wvz n LYS 54 N 4.69 0.00 0.25 0.44 4.81 -1.26 -4.55 118.16 122.53 1wvz n LYS 54 Ca -0.16 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.45 1wvz n LYS 54 Cb 0.50 0.00 0.89 0.00 0.02 0.00 0.00 35.03 36.44 1wvz n LYS 54 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1wvz h GLN 55 N 0.00 0.00 -2.03 1.64 3.07 -2.04 0.29 115.11 116.04 1wvz h GLN 55 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.13 1wvz h GLN 55 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 27.35 1wvz h GLN 55 CO 0.00 0.00 0.72 0.39 0.09 0.00 0.00 178.83 180.03 1wvz n GLU 56 N -3.65 2.68 -0.96 0.06 1.02 -1.26 -5.01 120.64 113.51 1wvz n GLU 56 Ca -0.00 -2.87 -0.35 0.00 -0.02 0.00 0.00 57.16 53.92 1wvz n GLU 56 Cb 0.25 -2.21 0.06 0.00 -0.02 0.00 0.00 31.44 29.51 1wvz n GLU 56 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1wvz n HIS 57 N 0.37 -4.36 -2.70 -0.32 1.44 0.09 -4.83 115.22 104.91 1wvz n HIS 57 Ca 0.51 0.04 -0.38 0.00 -2.01 0.00 0.00 57.72 55.88 1wvz n HIS 57 Cb 0.42 -1.50 -0.06 0.00 0.12 0.00 0.00 29.99 28.97 1wvz n HIS 57 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1wvz s ARG 58 N -2.33 4.62 -0.10 -1.40 3.52 -1.26 -4.96 118.95 117.04 1wvz s ARG 58 Ca 0.43 1.46 -0.29 0.00 -0.13 0.00 0.00 55.73 57.20 1wvz s ARG 58 Cb -0.18 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.19 1wvz s ARG 58 CO 0.79 0.29 2.03 0.96 -0.81 0.00 0.00 175.30 178.57 1wvz s ILE 59 N -1.43 3.09 0.00 4.11 -4.36 -0.92 -2.69 121.20 119.01 1wvz s ILE 59 Ca 0.48 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 1wvz s ILE 59 Cb -0.23 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.39 1wvz s ILE 59 CO 0.29 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.04 1wvz n GLY 60 N 5.06 3.36 0.00 6.27 0.00 -1.26 -3.78 105.19 114.84 1wvz n GLY 60 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.25 3.51 -0.02 0.00 -1.09 -4.97 105.19 105.86 1wvz n GLY 61 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1wvz n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wvz s TYR 62 N 0.00 3.03 -0.06 1.61 5.04 -1.26 -3.91 117.35 121.79 1wvz s TYR 62 Ca 0.00 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.59 1wvz s TYR 62 Cb 0.00 -3.49 -0.01 0.00 0.35 0.00 0.00 41.96 38.81 1wvz s TYR 62 CO 0.00 -0.96 -0.24 0.15 -1.34 0.00 0.00 175.55 173.16 1wvz s LYS 63 N 2.97 2.52 -0.01 4.97 1.02 -1.04 -5.07 119.74 125.10 1wvz s LYS 63 Ca 0.23 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.37 1wvz s LYS 63 Cb -0.14 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1wvz s LYS 63 CO 0.19 0.33 -0.03 0.54 -0.92 0.00 0.00 175.35 175.45 1wvz s VAL 64 N -0.06 0.29 0.30 3.17 0.11 -1.26 -1.50 120.40 121.45 1wvz s VAL 64 Ca -0.06 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 1wvz s VAL 64 Cb -0.14 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 1wvz s VAL 64 CO 0.04 0.09 1.19 -0.13 -3.33 0.00 0.00 175.10 172.97 1wvz s ARG 65 N 0.04 4.51 -0.34 1.54 1.81 -0.94 -4.92 118.95 120.65 1wvz s ARG 65 Ca 0.00 1.98 -0.04 0.00 -1.72 0.00 0.00 55.73 55.95 1wvz s ARG 65 Cb -0.03 -3.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.33 1wvz s ARG 65 CO -0.00 0.03 2.87 -1.71 -0.68 0.00 0.00 175.30 175.80 1wvz n ASN 66 N 1.11 6.20 -0.75 0.23 2.85 -1.26 -3.74 115.26 119.90 1wvz n ASN 66 Ca -0.00 -3.03 -0.03 0.00 -0.11 0.00 0.00 54.58 51.41 1wvz n ASN 66 Cb 0.43 -1.25 -0.03 0.00 1.24 0.00 0.00 39.78 40.17 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1wvz n GLN 67 N 1.17 0.00 -4.11 1.20 7.27 -1.26 -5.02 117.38 116.63 1wvz n GLN 67 Ca 0.45 -0.57 -0.28 0.00 0.07 0.00 0.00 57.00 56.67 1wvz n GLN 67 Cb 0.63 0.17 -0.05 0.00 2.41 0.00 0.00 30.24 33.39 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1wvz n HIS 68 N 0.03 -1.48 0.00 3.69 1.44 -1.25 -4.85 115.22 112.80 1wvz n HIS 68 Ca -0.11 0.67 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 1wvz n HIS 68 Cb 0.63 -3.32 0.00 0.00 0.12 0.00 0.00 29.99 27.42 1wvz n HIS 68 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1wvz n TRP 69 N -4.49 0.00 -4.34 -1.40 7.02 -1.26 -2.57 117.44 110.40 1wvz n TRP 69 Ca -0.31 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 55.93 1wvz n TRP 69 Cb 0.69 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.50 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1wvz s SER 70 N 0.74 4.29 -0.06 -0.99 0.01 -1.26 0.75 113.70 117.19 1wvz s SER 70 Ca 0.00 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 1wvz s SER 70 Cb 0.00 -0.70 0.04 0.00 0.21 0.00 0.00 66.02 65.57 1wvz s SER 70 CO 0.00 0.01 0.12 -1.48 0.41 0.00 0.00 173.24 172.30 1wvz s LEU 71 N -3.63 0.79 -0.26 2.44 2.34 0.33 -2.21 118.68 118.48 1wvz s LEU 71 Ca 0.31 0.24 -0.03 0.00 0.06 0.00 0.00 54.13 54.72 1wvz s LEU 71 Cb -0.06 0.26 0.02 0.00 -0.56 0.00 0.00 46.19 45.86 1wvz s LEU 71 CO 0.19 -0.15 -0.03 -0.51 -1.06 0.00 0.00 176.35 174.79 1wvz s ILE 72 N 1.16 3.09 0.09 1.48 2.07 -0.56 -0.74 121.20 127.80 1wvz s ILE 72 Ca -0.09 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 58.21 1wvz s ILE 72 Cb -0.12 -2.59 -0.04 0.00 0.13 0.00 0.00 42.46 39.84 1wvz s ILE 72 CO -0.05 0.16 0.02 -0.04 -1.91 0.00 0.00 174.94 173.12 1wvz s MET 73 N 1.35 2.64 -0.27 3.50 -1.94 -0.88 -2.50 119.30 121.20 1wvz s MET 73 Ca 0.00 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 1wvz s MET 73 Cb -0.17 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.13 1wvz s MET 73 CO -0.03 0.54 -0.07 -2.00 -0.01 0.00 0.00 175.02 173.45 1wvz s GLU 74 N -2.37 2.42 -0.03 2.03 2.12 -1.25 -0.08 118.70 121.53 1wvz s GLU 74 Ca 0.27 -1.25 0.02 0.00 0.36 0.00 0.00 54.97 54.37 1wvz s GLU 74 Cb -0.12 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.30 1wvz s GLU 74 CO 0.19 -0.55 -0.06 0.45 -0.54 0.00 0.00 175.26 174.75 1wvz s SER 75 N 1.19 0.98 -0.15 -1.70 0.15 -1.25 -2.15 113.70 110.77 1wvz s SER 75 Ca -0.06 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.51 1wvz s SER 75 Cb -0.19 -0.34 -0.14 0.00 -1.71 0.00 0.00 66.02 63.64 1wvz s SER 75 CO -0.04 0.01 -0.05 1.33 1.20 0.00 0.00 173.24 175.69 1wvz n VAL 76 N 3.58 0.95 -0.12 4.45 0.24 -1.26 -3.93 118.33 122.23 1wvz n VAL 76 Ca -0.21 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.40 1wvz n VAL 76 Cb 0.53 -0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 1wvz n VAL 76 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1wvz n VAL 77 N -2.74 1.52 0.25 3.34 0.31 -1.26 -3.46 118.33 116.27 1wvz n VAL 77 Ca -0.26 -0.17 0.14 0.00 -0.01 0.00 0.00 64.34 64.04 1wvz n VAL 77 Cb 0.88 -2.05 0.76 0.00 -0.91 0.00 0.00 33.84 32.52 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 -1.00 0.00 -0.21 5.55 0.11 -1.97 -2.19 132.00 132.29 1wvz h PRO 78 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 1wvz h PRO 78 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1wvz h PRO 78 CO -0.27 0.00 0.40 1.03 -0.21 0.00 0.00 178.00 178.95 1wvz h SER 79 N 0.00 0.00 -0.87 -2.05 0.87 -1.78 0.12 113.55 109.84 1wvz h SER 79 Ca 0.00 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.70 1wvz h SER 79 Cb 0.26 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 1wvz h SER 79 CO 0.00 0.00 0.56 -0.78 -0.53 0.00 0.00 176.83 176.08 1wvz h ASP 80 N 0.00 0.61 -3.48 6.23 3.58 -1.70 -3.34 116.42 118.32 1wvz h ASP 80 Ca 0.10 0.04 -0.65 0.00 0.42 0.00 0.00 57.03 56.94 1wvz h ASP 80 Cb 0.89 -0.08 -0.15 0.00 1.72 0.00 0.00 39.33 41.71 1wvz h ASP 80 CO -0.00 0.31 0.22 -1.59 -2.88 0.00 0.00 179.24 175.30 1wvz s LYS 81 N -5.63 3.28 -1.04 0.28 -2.85 0.41 -4.62 119.74 109.57 1wvz s LYS 81 Ca -0.10 -0.40 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 1wvz s LYS 81 Cb 0.22 -3.99 0.30 0.00 -2.06 0.00 0.00 37.83 32.30 1wvz s LYS 81 CO 0.78 -1.14 1.90 0.41 0.10 0.00 0.00 175.35 177.41 1wvz n GLY 82 N 5.06 6.01 2.97 0.59 0.00 -1.25 -4.89 105.19 113.68 1wvz n GLY 82 Ca -0.01 -2.52 -0.31 0.00 0.00 0.00 0.00 46.02 43.18 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 -1.16 3.86 -0.20 1.61 3.84 -1.26 -1.22 114.94 120.41 1wvz s ASN 83 Ca 0.41 -1.15 -0.05 0.00 0.21 0.00 0.00 52.86 52.28 1wvz s ASN 83 Cb 0.21 -1.25 -0.02 0.00 -0.55 0.00 0.00 41.25 39.63 1wvz s ASN 83 CO -0.15 -0.21 -0.00 -0.31 -2.79 0.00 0.00 177.10 173.64 1wvz s TYR 84 N 1.34 3.03 -0.15 0.43 2.02 -1.01 -1.31 117.35 121.70 1wvz s TYR 84 Ca -0.05 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1wvz s TYR 84 Cb -0.18 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1wvz s TYR 84 CO -0.06 -0.24 -0.14 0.99 -1.57 0.00 0.00 175.55 174.53 1wvz s THR 85 N 0.97 1.60 -0.50 -0.71 2.01 0.90 -0.03 115.64 119.87 1wvz s THR 85 Ca 0.01 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 1wvz s THR 85 Cb -0.14 -1.50 0.10 0.00 0.01 0.00 0.00 72.50 70.97 1wvz s THR 85 CO 0.02 0.46 0.44 0.00 -0.69 0.00 0.00 174.62 174.85 1wvz s VAL 87 N 1.62 4.05 -0.31 0.00 -7.23 -1.05 -0.26 120.40 117.22 1wvz s VAL 87 Ca 0.04 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 1wvz s VAL 87 Cb -0.27 -3.50 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1wvz s VAL 87 CO 0.05 -0.51 0.10 0.68 -0.31 0.00 0.00 175.10 175.11 1wvz s VAL 88 N 1.38 4.00 0.13 1.32 -7.23 -0.68 0.15 120.40 119.47 1wvz s VAL 88 Ca 0.03 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1wvz s VAL 88 Cb -0.23 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1wvz s VAL 88 CO 0.01 0.01 0.20 -0.70 -0.31 0.00 0.00 175.10 174.31 1wvz s GLU 89 N 1.49 3.20 0.29 4.82 -6.30 0.28 -1.39 118.70 121.08 1wvz s GLU 89 Ca 0.02 -0.67 0.02 0.00 -2.50 0.00 0.00 54.97 51.84 1wvz s GLU 89 Cb -0.18 -2.85 -0.03 0.00 0.00 0.00 0.00 34.13 31.08 1wvz s GLU 89 CO 0.03 0.53 0.28 0.54 0.02 0.00 0.00 175.26 176.66 1wvz s ASN 90 N -2.96 0.98 0.42 -1.70 4.22 0.29 -1.93 114.94 114.26 1wvz s ASN 90 Ca 0.33 -1.55 0.30 0.00 -2.14 0.00 0.00 52.86 49.79 1wvz s ASN 90 Cb -0.11 0.52 1.30 0.00 1.28 0.00 0.00 41.25 44.24 1wvz s ASN 90 CO 0.26 -1.04 1.88 -0.08 -2.04 0.00 0.00 177.10 176.08 1wvz h GLU 91 N 2.28 0.00 -0.14 3.55 4.81 -1.89 -2.74 114.58 120.45 1wvz h GLU 91 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1wvz h GLU 91 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1wvz h GLU 91 CO 0.42 0.00 0.00 0.98 -0.73 0.00 0.00 179.01 179.68 1wvz n TYR 92 N -2.66 0.18 0.00 0.92 9.36 -1.26 -5.06 117.16 118.63 1wvz n TYR 92 Ca 0.01 -0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1wvz n TYR 92 Cb 0.23 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 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 0.65 2.03 3.06 2.98 0.00 -1.04 -4.90 105.19 107.97 1wvz n GLY 93 Ca 0.09 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 1.57 0.18 1.61 1.04 -1.26 0.10 113.70 116.94 1wvz s SER 94 Ca 0.00 -0.25 0.11 0.00 0.48 0.00 0.00 55.95 56.29 1wvz s SER 94 Cb 0.00 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1wvz s SER 94 CO 0.00 0.11 -0.23 -0.63 0.98 0.00 0.00 173.24 173.46 1wvz s ILE 95 N 0.09 2.25 -0.01 -1.02 1.01 -0.49 -4.98 121.20 118.04 1wvz s ILE 95 Ca -0.02 -1.99 0.05 0.00 0.00 0.00 0.00 60.65 58.68 1wvz s ILE 95 Cb -0.09 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1wvz s ILE 95 CO 0.01 -0.14 -0.16 0.20 0.00 0.00 0.00 174.94 174.85 1wvz s ASN 96 N -2.63 1.82 -0.03 3.58 0.01 -1.26 -1.69 114.94 114.74 1wvz s ASN 96 Ca 0.19 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 1wvz s ASN 96 Cb -0.08 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.41 1wvz s ASN 96 CO 0.09 0.18 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.83 1wvz s HIS 97 N -0.39 0.57 -0.01 2.20 3.76 0.64 -4.97 115.29 117.08 1wvz s HIS 97 Ca 0.06 -0.12 0.06 0.00 -0.15 0.00 0.00 55.06 54.91 1wvz s HIS 97 Cb -0.06 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1wvz s HIS 97 CO -0.00 -0.14 -0.19 -0.08 -0.85 0.00 0.00 174.74 173.48 1wvz s THR 98 N 0.77 2.71 0.01 1.30 -1.32 -1.26 0.15 115.64 118.00 1wvz s THR 98 Ca -0.09 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1wvz s THR 98 Cb -0.12 -2.07 -0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1wvz s THR 98 CO -0.00 0.49 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.53 1wvz s TYR 99 N -0.78 0.43 -0.48 9.09 2.02 0.95 -4.99 117.35 123.58 1wvz s TYR 99 Ca 0.12 -0.26 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1wvz s TYR 99 Cb -0.10 -0.27 0.09 0.00 -0.40 0.00 0.00 41.96 41.28 1wvz s TYR 99 CO 0.02 -0.05 0.40 -1.01 -1.57 0.00 0.00 175.55 173.34 1wvz s HIS 100 N -0.67 3.27 0.12 2.71 3.76 -1.24 -2.41 115.29 120.83 1wvz s HIS 100 Ca -0.04 -1.13 0.04 0.00 -0.15 0.00 0.00 55.06 53.78 1wvz s HIS 100 Cb -0.05 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 1wvz s HIS 100 CO -0.00 -0.87 0.09 -0.51 -0.85 0.00 0.00 174.74 172.60 1wvz s LEU 101 N 1.59 3.74 0.02 0.89 2.01 -0.35 -2.60 118.68 123.97 1wvz s LEU 101 Ca 0.04 -0.09 0.08 0.00 0.01 0.00 0.00 54.13 54.16 1wvz s LEU 101 Cb -0.26 -2.40 -0.02 0.00 0.01 0.00 0.00 46.19 43.52 1wvz s LEU 101 CO 0.05 0.13 -0.23 -0.62 1.01 0.00 0.00 176.35 176.69 1wvz s ASP 102 N -2.66 2.76 0.10 2.29 2.15 0.21 -4.18 116.67 117.34 1wvz s ASP 102 Ca 0.29 -0.49 -0.24 0.00 0.43 0.00 0.00 52.55 52.54 1wvz s ASP 102 Cb -0.11 -0.27 -0.07 0.00 -0.30 0.00 0.00 42.92 42.17 1wvz s ASP 102 CO 0.22 0.24 0.74 0.54 -0.17 0.00 0.00 175.17 176.74 1wvz s VAL 103 N -0.69 4.57 0.00 1.11 0.11 -1.26 -0.16 120.40 124.08 1wvz s VAL 103 Ca 0.09 1.59 0.00 0.00 -2.93 0.00 0.00 61.98 60.74 1wvz s VAL 103 Cb -0.09 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 1wvz s VAL 103 CO 0.01 0.47 0.26 0.52 -3.33 0.00 0.00 175.10 173.02