#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 -4.38 6.41 3.02 -1.26 -5.07 115.26 113.98 1wvz n ASN 5 Ca 0.00 -0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 53.96 1wvz n ASN 5 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1wvz n ASN 5 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wvz s LYS 6 N 0.25 3.46 -0.12 3.52 0.00 -1.26 -2.92 119.74 122.67 1wvz s LYS 6 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 55.97 55.31 1wvz s LYS 6 Cb 0.00 -2.88 0.06 0.00 0.00 0.00 0.00 37.83 35.01 1wvz s LYS 6 CO 0.00 0.04 0.27 1.03 0.00 0.00 0.00 175.35 176.68 1wvz s ARG 7 N 0.86 0.18 -0.33 1.78 3.00 -1.26 -4.04 118.95 119.14 1wvz s ARG 7 Ca -0.02 0.69 -0.29 0.00 0.00 0.00 0.00 55.73 56.11 1wvz s ARG 7 Cb -0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 34.95 34.62 1wvz s ARG 7 CO 0.01 -0.24 1.32 0.00 0.00 0.00 0.00 175.30 176.39 1wvz n ALA 8 N 4.95 -0.10 -2.31 2.13 0.00 -1.26 -2.73 120.51 121.19 1wvz n ALA 8 Ca -0.13 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1wvz n ALA 8 Cb 0.51 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 3.48 4.28 -0.24 0.00 0.02 -1.26 -4.71 135.00 136.57 1wvz s PRO 9 Ca 0.77 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 63.37 1wvz s PRO 9 Cb -0.99 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 29.89 1wvz s PRO 9 CO 0.46 -0.59 0.90 0.71 -0.33 0.00 0.00 177.00 178.15 1wvz s TYR 10 N 2.70 3.31 0.11 6.54 1.51 0.40 -4.55 117.35 127.39 1wvz s TYR 10 Ca 0.60 1.23 -0.35 0.00 -1.01 0.00 0.00 57.07 57.54 1wvz s TYR 10 Cb -0.28 -3.14 -0.17 0.00 -0.11 0.00 0.00 41.96 38.26 1wvz s TYR 10 CO 0.23 -0.44 1.13 -2.67 -1.11 0.00 0.00 175.55 172.69 1wvz n TRP 11 N 6.13 1.05 -0.03 2.71 4.27 -1.26 0.16 117.44 130.47 1wvz n TRP 11 Ca 0.08 0.78 -0.03 0.00 -3.89 0.00 0.00 57.50 54.44 1wvz n TRP 11 Cb 0.47 -2.22 -0.01 0.00 -1.36 0.00 0.00 31.31 28.19 1wvz n TRP 11 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 1wvz n THR 12 N 1.63 0.54 -3.36 -1.67 -1.04 -0.50 -4.77 114.28 105.12 1wvz n THR 12 Ca 0.17 0.38 -0.38 0.00 -2.04 0.00 0.00 64.05 62.18 1wvz n THR 12 Cb 0.20 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.83 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 -4.58 6.91 0.20 8.00 2.47 -1.26 -5.04 114.94 121.65 1wvz s ASN 13 Ca -0.09 1.08 -0.31 0.00 0.42 0.00 0.00 52.86 53.96 1wvz s ASN 13 Cb 0.01 -2.31 -0.10 0.00 -1.45 0.00 0.00 41.25 37.40 1wvz s ASN 13 CO 0.13 0.24 1.49 0.42 -3.72 0.00 0.00 177.10 175.66 1wvz s THR 14 N -0.75 2.70 -0.84 -5.21 -4.23 -1.26 -4.61 115.64 101.43 1wvz s THR 14 Ca 0.27 0.54 0.23 0.00 -1.18 0.00 0.00 61.69 61.55 1wvz s THR 14 Cb -0.18 -3.35 0.21 0.00 1.34 0.00 0.00 72.50 70.53 1wvz s THR 14 CO 0.15 0.06 1.71 -0.62 -0.54 0.00 0.00 174.62 175.39 1wvz n GLU 15 N 3.13 0.09 0.15 3.99 -0.58 -1.26 -2.54 120.64 123.62 1wvz n GLU 15 Ca 0.10 0.21 0.13 0.00 -0.42 0.00 0.00 57.16 57.18 1wvz n GLU 15 Cb 0.40 -1.63 0.48 0.00 -0.57 0.00 0.00 31.44 30.12 1wvz n GLU 15 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wvz h LYS 16 N 0.00 0.00 -0.01 3.49 1.57 -1.97 0.22 116.57 119.88 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wvz h LYS 16 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wvz h LYS 16 CO 0.00 0.00 -0.26 -1.33 -0.57 0.00 0.00 179.45 177.29 1wvz n MET 17 N -2.40 1.02 0.00 3.15 2.81 -1.05 -4.65 117.12 115.99 1wvz n MET 17 Ca 0.03 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 1wvz n MET 17 Cb 0.30 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1wvz n MET 17 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1wvz n GLU 18 N -0.42 0.00 0.00 0.03 0.28 -1.05 -5.03 120.64 114.45 1wvz n GLU 18 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1wvz n GLU 18 Cb 0.37 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1wvz n LYS 19 N 0.00 0.00 -1.37 3.44 0.00 0.77 -4.47 118.16 116.52 1wvz n LYS 19 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.06 1wvz n LYS 19 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 35.03 34.75 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 -1.87 2.77 -2.78 1.64 1.85 -1.17 -4.72 116.66 112.37 1wvz n ARG 20 Ca 0.00 -2.03 -0.42 0.00 -1.00 0.00 0.00 57.85 54.39 1wvz n ARG 20 Cb 0.00 -2.25 -0.03 0.00 -1.05 0.00 0.00 32.46 29.12 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wvz s LEU 21 N -1.12 4.04 0.39 2.89 1.43 -1.23 -4.63 118.68 120.46 1wvz s LEU 21 Ca 0.62 1.01 0.21 0.00 -1.03 0.00 0.00 54.13 54.95 1wvz s LEU 21 Cb 0.31 -3.34 0.52 0.00 0.03 0.00 0.00 46.19 43.71 1wvz s LEU 21 CO -0.11 -0.68 1.65 1.12 0.23 0.00 0.00 176.35 178.57 1wvz h HIS 22 N 7.87 0.00 -3.53 0.29 2.07 -1.86 -3.33 115.15 116.65 1wvz h HIS 22 Ca -0.22 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.69 1wvz h HIS 22 Cb 1.08 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.95 1wvz h HIS 22 CO 0.78 0.25 0.43 0.00 -3.07 0.00 0.00 177.93 176.32 1wvz s ALA 23 N -3.31 3.41 -0.26 6.11 0.00 -1.26 0.15 121.76 126.60 1wvz s ALA 23 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1wvz s ALA 23 Cb 0.08 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1wvz s ALA 23 CO 0.67 -1.56 0.02 0.08 0.00 0.00 0.00 175.76 174.97 1wvz s VAL 24 N 3.21 1.24 0.15 0.00 1.01 0.41 -4.85 120.40 121.58 1wvz s VAL 24 Ca 0.33 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1wvz s VAL 24 Cb -0.13 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1wvz s VAL 24 CO 0.18 -0.33 1.53 -2.16 0.00 0.00 0.00 175.10 174.31 1wvz s PRO 25 N 1.49 4.24 0.24 2.72 0.04 -1.26 -0.14 135.00 142.32 1wvz s PRO 25 Ca 0.01 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1wvz s PRO 25 Cb -0.18 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wvz s PRO 25 CO -0.12 -0.57 1.17 0.00 0.04 0.00 0.00 177.00 177.52 1wvz s ALA 26 N 1.17 3.43 -0.77 8.56 0.00 0.71 -3.04 121.76 131.83 1wvz s ALA 26 Ca 0.69 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1wvz s ALA 26 Cb -0.42 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1wvz s ALA 26 CO 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.76 1wvz n ALA 27 N 1.83 -0.19 -2.54 0.00 0.00 -1.25 -5.03 120.51 113.33 1wvz n ALA 27 Ca 0.02 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1wvz n ALA 27 Cb 0.44 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.76 3.42 0.19 0.00 -0.87 -1.17 -4.88 114.94 108.86 1wvz s ASN 28 Ca 0.00 -1.29 -0.29 0.00 -1.57 0.00 0.00 52.86 49.71 1wvz s ASN 28 Cb 0.00 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.25 40.85 1wvz s ASN 28 CO 0.00 -0.38 0.92 0.42 -2.57 0.00 0.00 177.10 175.50 1wvz s THR 29 N -2.82 4.25 -0.27 1.60 -4.23 -1.26 -3.65 115.64 109.26 1wvz s THR 29 Ca 0.33 2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 62.72 1wvz s THR 29 Cb 0.06 -4.30 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 1wvz s THR 29 CO 0.16 0.44 0.43 -0.69 -0.54 0.00 0.00 174.62 174.42 1wvz s VAL 30 N -0.78 5.13 -0.26 2.29 1.01 0.18 -4.94 120.40 123.03 1wvz s VAL 30 Ca 0.42 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 1wvz s VAL 30 Cb -0.25 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1wvz s VAL 30 CO 0.30 0.11 0.72 -0.75 0.00 0.00 0.00 175.10 175.48 1wvz s LYS 31 N 2.17 4.09 -0.24 2.72 2.36 -1.26 -2.16 119.74 127.42 1wvz s LYS 31 Ca 0.17 0.65 -0.03 0.00 -2.55 0.00 0.00 55.97 54.22 1wvz s LYS 31 Cb -0.16 -3.67 0.01 0.00 -1.05 0.00 0.00 37.83 32.96 1wvz s LYS 31 CO 0.10 -0.50 -0.04 0.12 1.55 0.00 0.00 175.35 176.57 1wvz s PHE 32 N 2.69 3.01 -0.15 4.03 2.19 -0.17 -4.97 117.98 124.61 1wvz s PHE 32 Ca 0.30 -1.22 -0.02 0.00 0.33 0.00 0.00 56.93 56.31 1wvz s PHE 32 Cb -0.15 -2.10 -0.02 0.00 -1.31 0.00 0.00 43.02 39.44 1wvz s PHE 32 CO 0.09 -0.64 -0.07 1.03 1.83 0.00 0.00 175.22 177.46 1wvz s ARG 33 N 1.41 3.57 -0.38 10.12 3.00 -1.26 -0.91 118.95 134.50 1wvz s ARG 33 Ca 0.03 -0.58 0.11 0.00 0.00 0.00 0.00 55.73 55.29 1wvz s ARG 33 Cb -0.15 -2.82 0.40 0.00 0.00 0.00 0.00 34.95 32.38 1wvz s ARG 33 CO -0.04 0.23 1.26 0.00 0.00 0.00 0.00 175.30 176.75 1wvz n PRO 35 N -0.45 2.03 -3.67 0.00 -0.04 -1.17 -4.63 135.00 127.08 1wvz n PRO 35 Ca 0.00 0.73 -0.09 0.00 -0.04 0.00 0.00 63.50 64.10 1wvz n PRO 35 Cb 0.84 -2.46 -0.09 0.00 -0.04 0.00 0.00 33.50 31.75 1wvz n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wvz s ALA 36 N 0.61 -1.44 -0.18 0.55 0.00 -1.20 -1.41 121.76 118.69 1wvz s ALA 36 Ca 0.76 1.95 -0.09 0.00 0.00 0.00 0.00 51.96 54.58 1wvz s ALA 36 Cb -0.69 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 1wvz s ALA 36 CO 0.42 -0.34 0.13 0.20 0.00 0.00 0.00 175.76 176.16 1wvz s GLY 37 N 1.57 2.07 0.00 0.00 0.00 0.12 -4.66 107.32 106.42 1wvz s GLY 37 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1wvz s GLY 37 CO -0.16 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1wvz n GLY 38 N 3.08 1.79 3.93 0.20 0.00 -1.26 0.15 105.19 113.08 1wvz n GLY 38 Ca -0.17 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 4.30 0.00 1.61 0.02 -1.10 -4.96 114.94 116.80 1wvz s ASN 39 Ca 0.00 0.41 0.20 0.00 -1.02 0.00 0.00 52.86 52.45 1wvz s ASN 39 Cb 0.00 -0.85 1.17 0.00 0.02 0.00 0.00 41.25 41.59 1wvz s ASN 39 CO 0.00 -1.96 1.75 -0.81 0.02 0.00 0.00 177.10 176.10 1wvz n PRO 40 N -3.20 1.03 -3.60 -0.60 -0.04 -1.25 -4.28 135.00 123.07 1wvz n PRO 40 Ca 0.10 -0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 1wvz n PRO 40 Cb 0.60 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.76 1.98 -3.49 0.54 1.56 -1.15 -5.02 117.12 110.79 1wvz n MET 41 Ca 0.15 -4.41 -0.37 0.00 -0.27 0.00 0.00 57.70 52.80 1wvz n MET 41 Cb 0.08 -2.16 -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 -1.83 4.12 -0.29 2.12 0.04 -1.26 -4.31 135.00 133.59 1wvz s PRO 42 Ca 0.33 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.67 1wvz s PRO 42 Cb 0.07 -3.35 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1wvz s PRO 42 CO -0.09 0.39 -0.01 0.95 0.04 0.00 0.00 177.00 178.27 1wvz s THR 43 N -0.07 1.98 -0.08 1.26 -4.23 -0.77 -5.04 115.64 108.70 1wvz s THR 43 Ca 0.21 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1wvz s THR 43 Cb -0.15 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1wvz s THR 43 CO 0.08 -0.34 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.66 1wvz s MET 44 N 1.11 2.81 0.01 3.99 -1.94 -1.26 0.16 119.30 124.18 1wvz s MET 44 Ca 0.02 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1wvz s MET 44 Cb -0.19 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1wvz s MET 44 CO -0.08 0.53 0.03 1.03 -0.01 0.00 0.00 175.02 176.51 1wvz s ARG 45 N -0.46 2.86 -0.20 2.03 0.52 0.13 -4.95 118.95 118.88 1wvz s ARG 45 Ca 0.06 -0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1wvz s ARG 45 Cb -0.12 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.64 1wvz s ARG 45 CO 0.02 0.62 -0.14 -1.58 0.02 0.00 0.00 175.30 174.24 1wvz s TRP 46 N -1.14 2.88 -0.06 -0.53 0.51 -1.26 -2.29 118.94 117.05 1wvz s TRP 46 Ca 0.21 -1.48 0.01 0.00 -2.12 0.00 0.00 56.10 52.72 1wvz s TRP 46 Cb -0.12 -1.98 0.02 0.00 -0.81 0.00 0.00 33.47 30.58 1wvz s TRP 46 CO 0.12 -0.74 -0.04 -1.17 -0.51 0.00 0.00 176.95 174.61 1wvz s LEU 47 N 1.34 1.20 -0.09 2.99 2.96 -1.08 -2.67 118.68 123.32 1wvz s LEU 47 Ca 0.04 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1wvz s LEU 47 Cb -0.14 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1wvz s LEU 47 CO -0.09 -0.08 -0.17 -1.59 -1.32 0.00 0.00 176.35 173.10 1wvz s LYS 48 N 1.16 2.32 -1.38 1.98 -2.85 0.49 -0.37 119.74 121.08 1wvz s LYS 48 Ca -0.07 -0.62 -0.15 0.00 -1.00 0.00 0.00 55.97 54.13 1wvz s LYS 48 Cb -0.14 -1.85 0.14 0.00 -2.06 0.00 0.00 37.83 33.92 1wvz s LYS 48 CO -0.01 0.06 0.51 -1.71 0.10 0.00 0.00 175.35 174.29 1wvz n ASN 49 N 3.82 -2.40 0.00 0.03 5.15 -0.36 0.16 115.26 121.65 1wvz n ASN 49 Ca -0.21 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1wvz n ASN 49 Cb 0.52 -2.05 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wvz n GLY 50 N -1.05 0.54 3.28 8.20 0.00 -1.26 -5.05 105.19 109.85 1wvz n GLY 50 Ca 0.06 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.89 1.59 0.06 1.61 2.36 0.42 -5.14 119.74 119.75 1wvz s LYS 51 Ca 0.00 -0.98 0.04 0.00 -2.55 0.00 0.00 55.97 52.49 1wvz s LYS 51 Cb 0.00 -1.70 -0.04 0.00 -1.05 0.00 0.00 37.83 35.04 1wvz s LYS 51 CO 0.00 0.44 -0.03 -1.83 1.55 0.00 0.00 175.35 175.48 1wvz s GLU 52 N -1.10 2.52 -0.07 4.03 -1.05 -1.26 0.18 118.70 121.96 1wvz s GLU 52 Ca 0.09 -0.81 -0.02 0.00 -0.15 0.00 0.00 54.97 54.09 1wvz s GLU 52 Cb -0.09 -2.52 0.03 0.00 -0.44 0.00 0.00 34.13 31.11 1wvz s GLU 52 CO 0.01 0.56 0.03 -0.59 0.95 0.00 0.00 175.26 176.23 1wvz s PHE 53 N -1.20 0.42 0.21 4.83 -0.12 -1.09 -4.98 117.98 116.06 1wvz s PHE 53 Ca 0.22 -0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.84 1wvz s PHE 53 Cb -0.11 -0.68 -0.08 0.00 -0.63 0.00 0.00 43.02 41.51 1wvz s PHE 53 CO 0.14 -0.30 0.74 0.15 -0.05 0.00 0.00 175.22 175.90 1wvz s LYS 54 N 2.05 4.34 0.61 1.99 1.02 -1.26 -4.65 119.74 123.84 1wvz s LYS 54 Ca 0.04 0.95 0.36 0.00 0.02 0.00 0.00 55.97 57.34 1wvz s LYS 54 Cb -0.13 -2.97 1.98 0.00 -0.52 0.00 0.00 37.83 36.20 1wvz s LYS 54 CO -0.05 0.43 2.26 -0.56 -0.92 0.00 0.00 175.35 176.52 1wvz h GLN 55 N 3.63 0.00 0.00 1.68 3.07 -2.00 -0.65 115.11 120.84 1wvz h GLN 55 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 1wvz h GLN 55 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1wvz h GLN 55 CO 0.65 0.02 -0.16 0.93 0.09 0.00 0.00 178.83 180.36 1wvz h GLU 56 N 0.00 0.00 -3.81 0.06 4.39 -1.97 -3.42 114.58 109.82 1wvz h GLU 56 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1wvz h GLU 56 Cb 0.08 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 28.35 1wvz h GLU 56 CO 0.00 0.16 -0.78 -1.58 -1.16 0.00 0.00 179.01 175.66 1wvz s HIS 57 N -3.54 1.02 -0.01 4.33 2.46 -0.25 -5.00 115.29 114.31 1wvz s HIS 57 Ca 0.02 -0.55 -0.12 0.00 0.47 0.00 0.00 55.06 54.89 1wvz s HIS 57 Cb 0.09 -0.99 0.01 0.00 -0.13 0.00 0.00 32.58 31.56 1wvz s HIS 57 CO 0.63 -0.46 0.24 1.03 -2.47 0.00 0.00 174.74 173.70 1wvz s ARG 58 N 1.86 0.58 -0.49 2.88 0.52 -1.26 -4.11 118.95 118.92 1wvz s ARG 58 Ca 0.03 -0.25 -0.27 0.00 -0.52 0.00 0.00 55.73 54.72 1wvz s ARG 58 Cb -0.14 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 1wvz s ARG 58 CO -0.07 -0.15 1.86 0.42 0.02 0.00 0.00 175.30 177.38 1wvz s ILE 59 N -1.28 3.40 0.00 1.52 -1.09 -1.15 -2.41 121.20 120.20 1wvz s ILE 59 Ca -0.13 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1wvz s ILE 59 Cb -0.06 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1wvz s ILE 59 CO 0.03 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.69 1wvz n GLY 60 N 5.59 1.83 0.00 6.18 0.00 -1.26 -4.21 105.19 113.32 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 -2.00 2.34 2.71 -0.02 0.00 -1.01 -5.02 105.19 102.19 1wvz n GLY 61 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.82 0.38 -0.14 1.61 1.13 -1.26 -4.15 117.35 113.10 1wvz s TYR 62 Ca 0.00 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.64 1wvz s TYR 62 Cb 0.00 -0.66 0.02 0.00 -1.10 0.00 0.00 41.96 40.22 1wvz s TYR 62 CO 0.00 -0.29 -0.14 0.15 -2.51 0.00 0.00 175.55 172.76 1wvz s LYS 63 N 2.07 2.21 -0.01 -3.49 -0.14 -0.91 -5.07 119.74 114.40 1wvz s LYS 63 Ca 0.04 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1wvz s LYS 63 Cb -0.13 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 1wvz s LYS 63 CO -0.05 -0.21 -0.02 0.14 -0.76 0.00 0.00 175.35 174.45 1wvz s VAL 64 N 1.42 0.19 0.22 3.17 -7.23 -1.26 -0.60 120.40 116.31 1wvz s VAL 64 Ca 0.03 -0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 1wvz s VAL 64 Cb -0.13 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.53 1wvz s VAL 64 CO -0.09 0.08 1.01 -0.60 -0.31 0.00 0.00 175.10 175.19 1wvz s ARG 65 N 0.18 4.73 -0.30 4.82 6.06 -0.95 -4.94 118.95 128.55 1wvz s ARG 65 Ca -0.01 1.61 -0.05 0.00 -2.50 0.00 0.00 55.73 54.77 1wvz s ARG 65 Cb -0.04 -3.27 -0.08 0.00 0.06 0.00 0.00 34.95 31.62 1wvz s ARG 65 CO -0.00 0.31 3.12 -1.71 -2.50 0.00 0.00 175.30 174.51 1wvz n ASN 66 N 1.80 6.03 -0.30 -2.12 2.85 -1.26 -3.71 115.26 118.54 1wvz n ASN 66 Ca -0.00 -2.90 0.00 0.00 -0.11 0.00 0.00 54.58 51.57 1wvz n ASN 66 Cb 0.47 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.17 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wvz n GLN 67 N 1.60 0.00 -3.57 1.20 3.00 -1.26 -5.00 117.38 113.35 1wvz n GLN 67 Ca 0.47 -0.50 -0.26 0.00 -0.01 0.00 0.00 57.00 56.70 1wvz n GLN 67 Cb 0.69 -0.31 0.01 0.00 0.00 0.00 0.00 30.24 30.63 1wvz n GLN 67 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1wvz n HIS 68 N 0.00 -1.93 0.00 1.08 -0.00 -1.24 -4.81 115.22 108.31 1wvz n HIS 68 Ca 0.00 0.62 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1wvz n HIS 68 Cb 0.58 -3.37 0.00 0.00 -0.12 0.00 0.00 29.99 27.08 1wvz n HIS 68 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1wvz n TRP 69 N -4.24 0.00 -4.18 1.57 7.02 -1.26 -3.26 117.44 113.09 1wvz n TRP 69 Ca 0.00 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.21 1wvz n TRP 69 Cb 0.54 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.36 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1wvz s SER 70 N -0.06 4.92 -0.06 -0.99 1.04 -1.26 -2.12 113.70 115.17 1wvz s SER 70 Ca 0.00 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1wvz s SER 70 Cb 0.00 -1.10 0.04 0.00 0.10 0.00 0.00 66.02 65.06 1wvz s SER 70 CO 0.00 0.09 0.11 -1.48 0.98 0.00 0.00 173.24 172.95 1wvz s LEU 71 N -2.92 0.31 -0.22 2.42 2.34 -0.08 -2.23 118.68 118.29 1wvz s LEU 71 Ca 0.28 0.22 -0.04 0.00 0.06 0.00 0.00 54.13 54.65 1wvz s LEU 71 Cb -0.10 0.14 -0.01 0.00 -0.56 0.00 0.00 46.19 45.67 1wvz s LEU 71 CO 0.19 -0.21 -0.03 -0.51 -1.06 0.00 0.00 176.35 174.73 1wvz s ILE 72 N 1.85 3.44 -0.02 1.48 2.07 0.23 -1.00 121.20 129.23 1wvz s ILE 72 Ca -0.01 -0.49 0.06 0.00 -1.41 0.00 0.00 60.65 58.80 1wvz s ILE 72 Cb -0.12 -2.58 -0.01 0.00 0.13 0.00 0.00 42.46 39.88 1wvz s ILE 72 CO -0.05 0.41 -0.20 0.00 -1.91 0.00 0.00 174.94 173.19 1wvz s MET 73 N 1.49 1.72 -0.33 3.50 0.23 -0.92 -2.14 119.30 122.85 1wvz s MET 73 Ca 0.06 -0.70 -0.16 0.00 -1.03 0.00 0.00 55.69 53.85 1wvz s MET 73 Cb -0.14 -1.61 -0.01 0.00 -1.53 0.00 0.00 34.83 31.54 1wvz s MET 73 CO -0.03 0.38 0.43 -2.00 -2.03 0.00 0.00 175.02 171.78 1wvz s GLU 74 N -0.33 3.70 -0.30 3.16 2.12 -1.26 0.51 118.70 126.29 1wvz s GLU 74 Ca 0.04 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1wvz s GLU 74 Cb -0.09 -3.77 0.10 0.00 0.26 0.00 0.00 34.13 30.63 1wvz s GLU 74 CO 0.00 -0.52 0.09 -1.54 -0.54 0.00 0.00 175.26 172.75 1wvz s SER 75 N 1.72 3.95 0.03 -1.70 1.04 -1.24 -2.92 113.70 114.58 1wvz s SER 75 Ca 0.16 -1.57 -0.15 0.00 0.48 0.00 0.00 55.95 54.86 1wvz s SER 75 Cb -0.16 -0.87 -0.36 0.00 0.10 0.00 0.00 66.02 64.74 1wvz s SER 75 CO 0.12 -0.40 0.99 -0.37 0.98 0.00 0.00 173.24 174.55 1wvz h VAL 76 N 6.50 1.27 0.03 5.02 -1.51 -1.85 -3.19 116.25 122.52 1wvz h VAL 76 Ca -0.14 -2.70 -0.30 0.00 -1.23 0.00 0.00 66.70 62.33 1wvz h VAL 76 Cb 1.02 3.03 -0.04 0.00 -2.13 0.00 0.00 31.29 33.18 1wvz h VAL 76 CO 0.46 0.82 -1.64 0.52 -1.23 0.00 0.00 177.57 176.50 1wvz n VAL 77 N -3.71 1.60 0.24 7.19 0.31 -1.26 -3.97 118.33 118.72 1wvz n VAL 77 Ca -0.17 -0.24 0.18 0.00 -0.01 0.00 0.00 64.34 64.09 1wvz n VAL 77 Cb 1.11 -1.92 0.87 0.00 -0.91 0.00 0.00 33.84 32.99 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 -0.70 0.00 -0.25 5.55 0.11 -1.96 -1.27 132.00 133.48 1wvz h PRO 78 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1wvz h PRO 78 Cb 1.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.65 1wvz h PRO 78 CO -0.16 0.00 0.40 0.77 -0.21 0.00 0.00 178.00 178.80 1wvz h SER 79 N 0.00 0.00 -0.40 -2.05 0.02 -1.72 0.10 113.55 109.50 1wvz h SER 79 Ca 0.07 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1wvz h SER 79 Cb 0.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1wvz h SER 79 CO -0.00 0.00 0.41 0.44 -1.14 0.00 0.00 176.83 176.54 1wvz h ASP 80 N 0.00 0.00 -3.64 3.07 3.32 -1.49 -3.35 116.42 114.33 1wvz h ASP 80 Ca 0.12 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.47 1wvz h ASP 80 Cb 0.91 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.19 1wvz h ASP 80 CO -0.00 0.00 -0.59 -0.54 -1.72 0.00 0.00 179.24 176.39 1wvz s LYS 81 N -4.67 2.78 -0.93 3.56 1.02 0.35 -4.79 119.74 117.06 1wvz s LYS 81 Ca -0.04 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 1wvz s LYS 81 Cb 0.16 -3.50 0.26 0.00 -0.52 0.00 0.00 37.83 34.23 1wvz s LYS 81 CO 0.57 -0.62 2.12 0.41 -0.92 0.00 0.00 175.35 176.91 1wvz n GLY 82 N 4.87 5.54 2.95 -3.33 0.00 -1.26 -4.87 105.19 109.10 1wvz n GLY 82 Ca -0.13 -2.37 -0.30 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.75 3.74 -0.14 1.61 3.84 -1.26 -0.20 114.94 121.78 1wvz s ASN 83 Ca 0.49 -1.10 0.00 0.00 0.21 0.00 0.00 52.86 52.45 1wvz s ASN 83 Cb 0.30 -1.19 -0.01 0.00 -0.55 0.00 0.00 41.25 39.80 1wvz s ASN 83 CO -0.23 -0.21 -0.14 -0.31 -2.79 0.00 0.00 177.10 173.41 1wvz s TYR 84 N 1.40 2.79 -0.14 0.43 1.51 -1.06 -1.22 117.35 121.06 1wvz s TYR 84 Ca -0.05 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 1wvz s TYR 84 Cb -0.18 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1wvz s TYR 84 CO -0.07 -0.29 -0.12 0.99 -1.11 0.00 0.00 175.55 174.95 1wvz s THR 85 N 0.48 1.44 -0.38 -0.71 2.01 0.49 0.30 115.64 119.28 1wvz s THR 85 Ca -0.10 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 1wvz s THR 85 Cb -0.16 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1wvz s THR 85 CO 0.05 0.42 0.23 0.00 -0.69 0.00 0.00 174.62 174.62 1wvz s VAL 87 N 1.60 3.81 -0.42 0.00 1.01 -0.97 -0.06 120.40 125.36 1wvz s VAL 87 Ca 0.03 -1.46 -0.18 0.00 0.00 0.00 0.00 61.98 60.37 1wvz s VAL 87 Cb -0.19 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1wvz s VAL 87 CO 0.08 -0.42 0.49 0.68 0.00 0.00 0.00 175.10 175.93 1wvz s VAL 88 N 1.35 5.02 0.06 2.92 -7.23 -0.43 0.21 120.40 122.29 1wvz s VAL 88 Ca 0.02 -0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1wvz s VAL 88 Cb -0.22 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.62 1wvz s VAL 88 CO 0.01 -0.44 0.08 -0.70 -0.31 0.00 0.00 175.10 173.74 1wvz s GLU 89 N 2.33 2.95 0.33 4.82 -6.30 0.42 -1.19 118.70 122.06 1wvz s GLU 89 Ca 0.15 -0.63 0.05 0.00 -2.50 0.00 0.00 54.97 52.04 1wvz s GLU 89 Cb -0.16 -2.77 -0.02 0.00 0.00 0.00 0.00 34.13 31.18 1wvz s GLU 89 CO 0.15 0.59 0.35 0.27 0.02 0.00 0.00 175.26 176.63 1wvz n ASN 90 N 0.65 -0.91 0.13 -1.70 0.23 0.18 -1.84 115.26 111.99 1wvz n ASN 90 Ca -0.10 -3.07 0.12 0.00 -0.53 0.00 0.00 54.58 51.01 1wvz n ASN 90 Cb 0.52 1.93 0.49 0.00 -2.08 0.00 0.00 39.78 40.64 1wvz n ASN 90 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1wvz n GLU 91 N -0.61 0.19 -0.02 -3.83 0.00 -1.26 -2.54 120.64 112.58 1wvz n GLU 91 Ca 0.05 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.72 1wvz n GLU 91 Cb 0.59 -1.87 0.08 0.00 0.00 0.00 0.00 31.44 30.23 1wvz n GLU 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1wvz n TYR 92 N -2.24 0.04 0.00 4.31 9.36 -1.26 -5.05 117.16 122.32 1wvz n TYR 92 Ca 0.02 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1wvz n TYR 92 Cb 0.23 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 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 0.90 1.50 3.06 2.98 0.00 -1.05 -5.00 105.19 107.57 1wvz n GLY 93 Ca 0.10 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 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 1.69 0.19 1.61 0.01 -1.26 0.48 113.70 116.42 1wvz s SER 94 Ca 0.00 -0.27 0.11 0.00 1.31 0.00 0.00 55.95 57.10 1wvz s SER 94 Cb 0.00 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1wvz s SER 94 CO 0.00 0.10 -0.23 -0.63 0.41 0.00 0.00 173.24 172.90 1wvz s ILE 95 N 0.16 2.45 -0.02 1.44 1.01 -0.34 -4.98 121.20 120.93 1wvz s ILE 95 Ca -0.04 -1.96 0.05 0.00 0.00 0.00 0.00 60.65 58.69 1wvz s ILE 95 Cb -0.10 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1wvz s ILE 95 CO 0.01 -0.10 -0.17 0.54 0.00 0.00 0.00 174.94 175.23 1wvz s ASN 96 N -2.64 1.98 -0.02 3.58 2.20 -1.26 -1.31 114.94 117.46 1wvz s ASN 96 Ca 0.21 -0.31 0.01 0.00 -0.94 0.00 0.00 52.86 51.83 1wvz s ASN 96 Cb -0.08 -0.26 0.01 0.00 -2.00 0.00 0.00 41.25 38.92 1wvz s ASN 96 CO 0.10 0.20 -0.03 -1.00 -2.94 0.00 0.00 177.10 173.43 1wvz s HIS 97 N -0.33 0.50 0.09 1.54 3.76 0.91 -4.97 115.29 116.78 1wvz s HIS 97 Ca 0.05 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 1wvz s HIS 97 Cb -0.07 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1wvz s HIS 97 CO -0.00 -0.10 -0.13 -0.08 -0.85 0.00 0.00 174.74 173.57 1wvz s THR 98 N 0.54 3.15 -0.03 1.30 -1.32 -1.26 0.14 115.64 118.16 1wvz s THR 98 Ca -0.06 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.14 1wvz s THR 98 Cb -0.09 -2.43 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1wvz s THR 98 CO -0.00 0.16 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.24 1wvz s TYR 99 N -1.13 0.38 -0.37 9.09 2.02 0.15 -4.95 117.35 122.53 1wvz s TYR 99 Ca 0.19 -0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.58 1wvz s TYR 99 Cb -0.11 -0.41 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 1wvz s TYR 99 CO 0.11 -0.11 1.00 -1.01 -1.57 0.00 0.00 175.55 173.96 1wvz s HIS 100 N 0.78 3.06 0.03 2.71 3.76 -1.26 -2.55 115.29 121.82 1wvz s HIS 100 Ca -0.08 0.88 0.07 0.00 -0.15 0.00 0.00 55.06 55.78 1wvz s HIS 100 Cb -0.11 -3.78 -0.02 0.00 1.11 0.00 0.00 32.58 29.78 1wvz s HIS 100 CO -0.01 -0.88 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.29 1wvz s LEU 101 N 3.67 2.13 0.05 0.89 1.43 0.72 -2.86 118.68 124.71 1wvz s LEU 101 Ca 0.42 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1wvz s LEU 101 Cb -0.11 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1wvz s LEU 101 CO 0.20 0.18 -0.23 -0.62 0.23 0.00 0.00 176.35 176.11 1wvz s ASP 102 N -0.98 2.78 -0.05 2.29 -1.08 0.40 -3.99 116.67 116.04 1wvz s ASP 102 Ca 0.07 -0.57 -0.25 0.00 -0.52 0.00 0.00 52.55 51.28 1wvz s ASP 102 Cb -0.09 -0.23 -0.04 0.00 -1.46 0.00 0.00 42.92 41.11 1wvz s ASP 102 CO 0.01 0.19 0.76 -0.69 0.52 0.00 0.00 175.17 175.95 1wvz s VAL 103 N -0.85 5.00 0.00 1.11 1.01 -1.26 -0.44 120.40 124.97 1wvz s VAL 103 Ca 0.09 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1wvz s VAL 103 Cb -0.09 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1wvz s VAL 103 CO 0.02 0.24 0.19 1.33 0.00 0.00 0.00 175.10 176.88