#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 -4.57 6.41 3.02 -1.26 -4.95 115.26 113.91 1wvz n ASN 5 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1wvz n ASN 5 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 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 2.69 3.82 -0.07 3.52 0.00 -1.26 -3.64 119.74 124.80 1wvz s LYS 6 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 55.97 55.53 1wvz s LYS 6 Cb 0.00 -3.69 0.04 0.00 0.00 0.00 0.00 37.83 34.18 1wvz s LYS 6 CO 0.00 -0.25 0.15 1.03 0.00 0.00 0.00 175.35 176.28 1wvz s ARG 7 N 1.75 0.05 -0.01 1.78 3.00 -1.26 -3.91 118.95 120.35 1wvz s ARG 7 Ca 0.07 0.46 -0.33 0.00 0.00 0.00 0.00 55.73 55.92 1wvz s ARG 7 Cb -0.16 -0.24 -0.17 0.00 0.00 0.00 0.00 34.95 34.38 1wvz s ARG 7 CO 0.11 -0.24 0.90 0.00 0.00 0.00 0.00 175.30 176.07 1wvz n ALA 8 N 4.81 -3.07 -2.71 2.13 0.00 -1.26 -2.68 120.51 117.72 1wvz n ALA 8 Ca -0.15 0.50 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 1wvz n ALA 8 Cb 0.51 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 0.07 4.36 -0.15 0.00 0.04 -1.26 -4.58 135.00 133.47 1wvz s PRO 9 Ca 0.76 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1wvz s PRO 9 Cb -1.06 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.01 1wvz s PRO 9 CO 0.48 0.09 0.86 0.71 0.04 0.00 0.00 177.00 179.18 1wvz s TYR 10 N 0.80 3.45 0.11 0.56 2.02 0.38 -4.62 117.35 120.06 1wvz s TYR 10 Ca 0.30 1.33 -0.35 0.00 -0.37 0.00 0.00 57.07 57.97 1wvz s TYR 10 Cb -0.16 -3.03 -0.17 0.00 -0.40 0.00 0.00 41.96 38.20 1wvz s TYR 10 CO 0.13 -0.21 1.18 -2.67 -1.57 0.00 0.00 175.55 172.40 1wvz n TRP 11 N 5.05 1.16 -0.05 2.71 2.14 -1.26 0.95 117.44 128.14 1wvz n TRP 11 Ca 0.05 0.75 -0.05 0.00 2.07 0.00 0.00 57.50 60.32 1wvz n TRP 11 Cb 0.49 -2.25 -0.02 0.00 -0.81 0.00 0.00 31.31 28.73 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 1.78 0.92 -3.48 -1.67 -1.04 -0.72 -4.71 114.28 105.37 1wvz n THR 12 Ca 0.17 0.29 -0.37 0.00 -2.04 0.00 0.00 64.05 62.10 1wvz n THR 12 Cb 0.20 -2.04 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 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 -5.10 6.60 0.16 8.00 -0.87 -1.26 -5.04 114.94 117.43 1wvz s ASN 13 Ca -0.15 0.72 -0.31 0.00 -1.57 0.00 0.00 52.86 51.54 1wvz s ASN 13 Cb 0.02 -2.23 -0.10 0.00 -0.02 0.00 0.00 41.25 38.93 1wvz s ASN 13 CO 0.23 0.14 1.53 0.42 -2.57 0.00 0.00 177.10 176.85 1wvz s THR 14 N 0.03 2.75 -0.63 1.60 -4.23 -1.26 -4.70 115.64 109.20 1wvz s THR 14 Ca 0.21 0.54 0.25 0.00 -1.18 0.00 0.00 61.69 61.51 1wvz s THR 14 Cb -0.15 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1wvz s THR 14 CO 0.08 0.04 1.75 -0.62 -0.54 0.00 0.00 174.62 175.34 1wvz n GLU 15 N 3.91 0.23 0.30 3.99 4.71 -1.26 -2.62 120.64 129.90 1wvz n GLU 15 Ca 0.13 0.30 0.19 0.00 -0.01 0.00 0.00 57.16 57.77 1wvz n GLU 15 Cb 0.39 -1.83 0.87 0.00 -1.01 0.00 0.00 31.44 29.86 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 -0.11 3.49 3.64 -1.96 -1.26 116.57 120.36 1wvz h LYS 16 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1wvz h LYS 16 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1wvz h LYS 16 CO 0.00 0.00 -0.05 -1.33 -2.27 0.00 0.00 179.45 175.81 1wvz n MET 17 N -3.10 1.88 0.01 1.90 2.81 -1.08 -4.77 117.12 114.77 1wvz n MET 17 Ca -0.01 -2.77 -0.00 0.00 -1.81 0.00 0.00 57.70 53.11 1wvz n MET 17 Cb 0.23 -1.65 -0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.09 0.00 -2.68 0.03 4.07 -0.53 -5.03 120.64 115.41 1wvz n GLU 18 Ca 0.19 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.24 1wvz n GLU 18 Cb 0.76 -0.08 0.10 0.00 -0.06 0.00 0.00 31.44 32.16 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1wvz n LYS 19 N -2.64 0.41 -0.01 5.31 0.00 -0.87 -5.04 118.16 115.33 1wvz n LYS 19 Ca -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 58.31 57.23 1wvz n LYS 19 Cb 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 35.03 34.59 1wvz n LYS 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wvz n ARG 20 N 0.53 0.04 -3.13 1.64 1.74 -1.19 -4.75 116.66 111.55 1wvz n ARG 20 Ca -0.02 0.16 -0.45 0.00 -0.77 0.00 0.00 57.85 56.77 1wvz n ARG 20 Cb 0.74 -0.71 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1wvz s LEU 21 N -4.99 5.82 0.00 0.55 -0.00 -1.21 -2.21 118.68 116.65 1wvz s LEU 21 Ca -0.02 -2.63 0.00 0.00 -0.00 0.00 0.00 54.13 51.49 1wvz s LEU 21 Cb 0.00 -2.31 0.00 0.00 -0.00 0.00 0.00 46.19 43.88 1wvz s LEU 21 CO 0.02 -0.74 0.00 1.57 -0.00 0.00 0.00 176.35 177.21 1wvz n HIS 22 N 4.99 0.00 -4.16 3.48 -0.00 -0.96 -5.03 115.22 113.54 1wvz n HIS 22 Ca 0.22 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.11 1wvz n HIS 22 Cb 0.46 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.17 1wvz n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wvz s ALA 23 N -2.00 1.81 -0.23 1.57 0.00 -1.26 -1.49 121.76 120.17 1wvz s ALA 23 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1wvz s ALA 23 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1wvz s ALA 23 CO 0.00 -0.29 0.14 0.08 0.00 0.00 0.00 175.76 175.69 1wvz s VAL 24 N 1.33 5.23 0.35 0.00 1.01 0.42 -4.89 120.40 123.86 1wvz s VAL 24 Ca 0.01 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1wvz s VAL 24 Cb -0.13 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1wvz s VAL 24 CO -0.08 0.37 1.21 -2.16 0.00 0.00 0.00 175.10 174.45 1wvz s PRO 25 N 0.89 4.29 0.33 2.72 0.04 -1.26 -0.70 135.00 141.31 1wvz s PRO 25 Ca 0.07 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1wvz s PRO 25 Cb -0.13 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.37 1wvz s PRO 25 CO 0.03 -0.16 1.15 0.00 0.04 0.00 0.00 177.00 178.06 1wvz s ALA 26 N -1.24 3.33 -0.85 8.56 0.00 -0.63 -3.00 121.76 127.92 1wvz s ALA 26 Ca 0.51 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1wvz s ALA 26 Cb -0.35 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1wvz s ALA 26 CO 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.87 1wvz n ALA 27 N 0.74 -0.12 -2.55 0.00 0.00 -1.24 -5.01 120.51 112.32 1wvz n ALA 27 Ca 0.01 0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 1wvz n ALA 27 Cb 0.45 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.86 3.58 0.12 0.00 -0.87 -1.16 -4.86 114.94 108.90 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 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.25 40.84 1wvz s ASN 28 CO 0.00 -0.33 0.91 0.28 -2.57 0.00 0.00 177.10 175.39 1wvz s THR 29 N -2.74 4.46 -0.29 1.60 -1.32 -1.26 -3.41 115.64 112.68 1wvz s THR 29 Ca 0.33 1.97 -0.16 0.00 -1.21 0.00 0.00 61.69 62.62 1wvz s THR 29 Cb 0.06 -4.28 -0.02 0.00 -1.51 0.00 0.00 72.50 66.74 1wvz s THR 29 CO 0.16 0.37 0.43 -0.69 -2.21 0.00 0.00 174.62 172.68 1wvz s VAL 30 N -0.27 5.12 -0.27 5.08 1.01 -0.30 -4.92 120.40 125.84 1wvz s VAL 30 Ca 0.44 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.73 1wvz s VAL 30 Cb -0.23 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1wvz s VAL 30 CO 0.29 0.03 0.67 -0.75 0.00 0.00 0.00 175.10 175.34 1wvz s LYS 31 N 2.18 4.04 -0.20 2.72 2.36 -1.26 -2.08 119.74 127.50 1wvz s LYS 31 Ca 0.17 0.52 -0.01 0.00 -2.55 0.00 0.00 55.97 54.09 1wvz s LYS 31 Cb -0.16 -3.68 0.01 0.00 -1.05 0.00 0.00 37.83 32.95 1wvz s LYS 31 CO 0.11 -0.50 -0.13 -0.06 1.55 0.00 0.00 175.35 176.32 1wvz s PHE 32 N 2.63 2.87 -0.18 4.03 0.08 -0.52 -5.01 117.98 121.88 1wvz s PHE 32 Ca 0.27 -1.34 -0.06 0.00 0.12 0.00 0.00 56.93 55.92 1wvz s PHE 32 Cb -0.15 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1wvz s PHE 32 CO 0.10 -0.69 0.04 1.03 -0.10 0.00 0.00 175.22 175.59 1wvz s ARG 33 N 1.37 3.89 -0.44 0.44 3.00 -1.26 -0.52 118.95 125.43 1wvz s ARG 33 Ca 0.05 -0.39 0.07 0.00 0.00 0.00 0.00 55.73 55.46 1wvz s ARG 33 Cb -0.14 -3.14 0.27 0.00 0.00 0.00 0.00 34.95 31.95 1wvz s ARG 33 CO -0.09 0.25 0.78 0.00 0.00 0.00 0.00 175.30 176.25 1wvz s PRO 35 N -0.38 4.61 -0.24 0.00 0.04 -1.18 -4.02 135.00 133.83 1wvz s PRO 35 Ca 0.33 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 1wvz s PRO 35 Cb 0.23 -3.32 0.11 0.00 0.04 0.00 0.00 34.50 31.56 1wvz s PRO 35 CO -0.15 0.09 0.52 0.00 0.04 0.00 0.00 177.00 177.50 1wvz s ALA 36 N -0.03 -1.56 -0.03 8.56 0.00 -1.26 -1.75 121.76 125.69 1wvz s ALA 36 Ca 0.49 1.89 -0.28 0.00 0.00 0.00 0.00 51.96 54.07 1wvz s ALA 36 Cb -0.27 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1wvz s ALA 36 CO 0.33 -0.82 0.88 0.20 0.00 0.00 0.00 175.76 176.35 1wvz s GLY 37 N 2.70 2.78 0.00 0.00 0.00 0.27 -4.55 107.32 108.53 1wvz s GLY 37 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1wvz s GLY 37 CO -0.16 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1wvz n GLY 38 N 2.98 2.19 3.90 0.20 0.00 -1.26 0.14 105.19 113.35 1wvz n GLY 38 Ca 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 4.48 0.00 1.61 0.02 -1.09 -4.95 114.94 117.01 1wvz s ASN 39 Ca 0.00 0.73 0.17 0.00 -1.02 0.00 0.00 52.86 52.74 1wvz s ASN 39 Cb 0.00 -1.22 0.99 0.00 0.02 0.00 0.00 41.25 41.04 1wvz s ASN 39 CO 0.00 -1.91 1.52 -0.81 0.02 0.00 0.00 177.10 175.92 1wvz n PRO 40 N -3.30 0.82 -3.59 -0.60 -0.04 -1.25 -4.21 135.00 122.84 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 0.61 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.81 1.96 -3.45 0.54 1.56 -1.24 -5.05 117.12 110.62 1wvz n MET 41 Ca 0.12 -4.38 -0.38 0.00 -0.27 0.00 0.00 57.70 52.79 1wvz n MET 41 Cb 0.06 -2.14 -0.08 0.00 2.15 0.00 0.00 33.22 33.20 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 -1.81 4.10 -0.37 2.12 0.04 -1.26 -4.28 135.00 133.54 1wvz s PRO 42 Ca 0.33 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 1wvz s PRO 42 Cb 0.07 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1wvz s PRO 42 CO -0.09 -0.09 0.23 0.99 0.04 0.00 0.00 177.00 178.08 1wvz s THR 43 N 1.49 4.94 -0.14 1.26 2.01 -0.80 -4.99 115.64 119.41 1wvz s THR 43 Ca 0.15 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 1wvz s THR 43 Cb -0.15 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1wvz s THR 43 CO 0.08 -0.17 -0.10 0.00 -0.69 0.00 0.00 174.62 173.74 1wvz s MET 44 N 1.64 3.46 -0.04 4.92 0.23 -1.26 0.18 119.30 128.43 1wvz s MET 44 Ca 0.04 -0.64 -0.00 0.00 -1.03 0.00 0.00 55.69 54.06 1wvz s MET 44 Cb -0.18 -2.73 -0.04 0.00 -1.53 0.00 0.00 34.83 30.36 1wvz s MET 44 CO 0.08 0.20 0.02 1.03 -2.03 0.00 0.00 175.02 174.32 1wvz s ARG 45 N 0.41 2.92 -0.25 3.16 0.52 0.33 -4.97 118.95 121.07 1wvz s ARG 45 Ca -0.08 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1wvz s ARG 45 Cb -0.15 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 1wvz s ARG 45 CO 0.04 0.66 0.06 -1.58 0.02 0.00 0.00 175.30 174.51 1wvz s TRP 46 N -1.01 3.08 -0.10 -0.53 0.51 -1.26 -2.53 118.94 117.10 1wvz s TRP 46 Ca 0.17 -0.46 0.00 0.00 -2.12 0.00 0.00 56.10 53.70 1wvz s TRP 46 Cb -0.11 -2.23 0.02 0.00 -0.81 0.00 0.00 33.47 30.34 1wvz s TRP 46 CO 0.07 -0.37 -0.09 -0.51 -0.51 0.00 0.00 176.95 175.54 1wvz s LEU 47 N 1.60 1.32 -0.24 2.99 1.43 -1.07 -2.42 118.68 122.29 1wvz s LEU 47 Ca 0.06 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1wvz s LEU 47 Cb -0.15 -0.82 0.06 0.00 0.03 0.00 0.00 46.19 45.31 1wvz s LEU 47 CO 0.03 -0.07 -0.09 -1.59 0.23 0.00 0.00 176.35 174.86 1wvz s LYS 48 N 1.38 1.99 -1.68 1.70 -2.85 0.41 -0.57 119.74 120.13 1wvz s LYS 48 Ca -0.01 -1.10 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 1wvz s LYS 48 Cb -0.14 -2.68 0.14 0.00 -2.06 0.00 0.00 37.83 33.09 1wvz s LYS 48 CO -0.05 -0.54 0.68 -1.71 0.10 0.00 0.00 175.35 173.83 1wvz n ASN 49 N 4.57 -2.52 0.00 0.03 5.15 -0.83 0.59 115.26 122.26 1wvz n ASN 49 Ca -0.14 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 1wvz n ASN 49 Cb 0.44 -2.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.07 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 -1.51 0.64 3.42 8.20 0.00 -1.26 -5.05 105.19 109.63 1wvz n GLY 50 Ca 0.01 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.59 2.49 0.05 1.61 2.36 0.20 -5.13 119.74 120.73 1wvz s LYS 51 Ca 0.00 -0.76 0.02 0.00 -2.55 0.00 0.00 55.97 52.68 1wvz s LYS 51 Cb 0.00 -2.31 -0.04 0.00 -1.05 0.00 0.00 37.83 34.43 1wvz s LYS 51 CO 0.00 0.56 0.05 -1.83 1.55 0.00 0.00 175.35 175.68 1wvz s GLU 52 N -0.59 2.84 0.12 4.03 -1.05 -1.26 0.16 118.70 122.95 1wvz s GLU 52 Ca 0.08 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1wvz s GLU 52 Cb -0.11 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 1wvz s GLU 52 CO 0.01 0.59 -0.00 0.12 0.95 0.00 0.00 175.26 176.92 1wvz s PHE 53 N -1.27 0.91 0.03 4.83 5.36 -1.02 -4.98 117.98 121.85 1wvz s PHE 53 Ca 0.25 -1.06 0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1wvz s PHE 53 Cb -0.12 -0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 1wvz s PHE 53 CO 0.17 -0.31 -0.05 0.21 -1.46 0.00 0.00 175.22 173.78 1wvz s LYS 54 N -3.93 0.40 0.64 10.12 2.47 -1.24 -4.40 119.74 123.79 1wvz s LYS 54 Ca 0.18 -0.68 0.38 0.00 -1.56 0.00 0.00 55.97 54.29 1wvz s LYS 54 Cb 0.07 -0.04 2.15 0.00 -1.46 0.00 0.00 37.83 38.55 1wvz s LYS 54 CO -0.01 -0.01 2.28 0.37 0.16 0.00 0.00 175.35 178.13 1wvz h GLN 55 N 4.54 0.00 0.00 4.03 4.15 -2.00 0.11 115.11 125.94 1wvz h GLN 55 Ca -0.33 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1wvz h GLN 55 Cb 1.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1wvz h GLN 55 CO 0.42 0.00 -0.15 0.93 -1.93 0.00 0.00 178.83 178.10 1wvz h GLU 56 N 0.00 0.00 -3.27 1.69 5.08 -2.00 -3.43 114.58 112.64 1wvz h GLU 56 Ca 0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.99 1wvz h GLU 56 Cb 0.11 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.97 1wvz h GLU 56 CO -0.00 0.15 -0.74 -1.58 -1.00 0.00 0.00 179.01 175.84 1wvz s HIS 57 N -3.43 0.06 -0.03 4.33 2.46 0.36 -5.09 115.29 113.97 1wvz s HIS 57 Ca 0.03 0.22 -0.15 0.00 0.47 0.00 0.00 55.06 55.63 1wvz s HIS 57 Cb 0.08 -0.49 0.02 0.00 -0.13 0.00 0.00 32.58 32.06 1wvz s HIS 57 CO 0.64 -0.23 0.32 1.03 -2.47 0.00 0.00 174.74 174.03 1wvz s ARG 58 N 2.17 0.64 -0.78 2.88 0.52 -1.26 -3.69 118.95 119.44 1wvz s ARG 58 Ca 0.05 -0.11 -0.25 0.00 -0.52 0.00 0.00 55.73 54.90 1wvz s ARG 58 Cb -0.12 0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 1wvz s ARG 58 CO -0.04 -0.17 1.80 0.42 0.02 0.00 0.00 175.30 177.34 1wvz s ILE 59 N -1.15 3.48 0.00 1.52 -1.09 -1.21 -2.56 121.20 120.20 1wvz s ILE 59 Ca -0.12 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1wvz s ILE 59 Cb -0.05 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1wvz s ILE 59 CO 0.04 -1.11 0.00 0.61 -1.23 0.00 0.00 174.94 173.25 1wvz n GLY 60 N 6.23 0.46 0.00 6.18 0.00 -1.26 -4.04 105.19 112.75 1wvz n GLY 60 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.82 2.01 2.95 -0.02 0.00 -1.06 -4.98 105.19 102.27 1wvz n GLY 61 Ca 0.00 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.52 0.54 -0.09 1.61 1.13 -1.26 -4.07 117.35 113.68 1wvz s TYR 62 Ca 0.00 -0.11 -0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1wvz s TYR 62 Cb 0.00 -0.38 0.05 0.00 -1.10 0.00 0.00 41.96 40.53 1wvz s TYR 62 CO 0.00 -0.04 0.18 0.15 -2.51 0.00 0.00 175.55 173.33 1wvz s LYS 63 N 0.06 0.07 -0.06 -3.49 -0.14 -0.96 -5.07 119.74 110.15 1wvz s LYS 63 Ca -0.00 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.20 1wvz s LYS 63 Cb -0.04 -0.21 0.01 0.00 -1.68 0.00 0.00 37.83 35.91 1wvz s LYS 63 CO -0.00 -0.28 -0.11 0.54 -0.76 0.00 0.00 175.35 174.74 1wvz s VAL 64 N 2.12 1.03 0.04 3.17 0.11 -1.26 -0.17 120.40 125.44 1wvz s VAL 64 Ca 0.01 -0.43 -0.31 0.00 -2.93 0.00 0.00 61.98 58.32 1wvz s VAL 64 Cb -0.12 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1wvz s VAL 64 CO -0.06 0.33 1.40 -0.60 -3.33 0.00 0.00 175.10 172.84 1wvz s ARG 65 N 0.60 4.30 0.25 1.54 3.52 -0.38 -4.78 118.95 124.00 1wvz s ARG 65 Ca -0.12 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.49 1wvz s ARG 65 Cb -0.14 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1wvz s ARG 65 CO 0.03 -0.53 0.00 0.09 -0.81 0.00 0.00 175.30 174.08 1wvz n ASN 66 N 4.88 0.00 -0.10 -2.12 4.13 -1.26 -2.98 115.26 117.81 1wvz n ASN 66 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1wvz n ASN 66 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wvz n GLN 67 N 0.00 0.00 0.00 3.52 6.02 -1.26 -5.07 117.38 120.59 1wvz n GLN 67 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 1wvz n GLN 67 Cb 0.00 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 30.98 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wvz n HIS 68 N 0.00 0.00 0.00 1.08 1.44 -1.16 -4.77 115.22 111.81 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 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 0.00 0.00 -4.39 -1.40 7.02 -1.26 -4.72 117.44 112.69 1wvz n TRP 69 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1wvz n TRP 69 Cb 0.00 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.77 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 -4.00 3.80 -0.11 -0.99 1.04 -1.26 0.04 113.70 112.22 1wvz s SER 70 Ca 0.00 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 1wvz s SER 70 Cb 0.00 -0.52 0.05 0.00 0.10 0.00 0.00 66.02 65.65 1wvz s SER 70 CO 0.00 0.19 0.13 -1.48 0.98 0.00 0.00 173.24 173.07 1wvz s LEU 71 N -1.99 0.05 -0.28 2.42 2.34 0.32 -1.25 118.68 120.30 1wvz s LEU 71 Ca 0.17 -0.01 -0.10 0.00 0.06 0.00 0.00 54.13 54.25 1wvz s LEU 71 Cb -0.10 0.09 -0.03 0.00 -0.56 0.00 0.00 46.19 45.58 1wvz s LEU 71 CO 0.09 -0.28 0.15 -0.51 -1.06 0.00 0.00 176.35 174.73 1wvz s ILE 72 N 2.24 4.85 -0.15 1.48 2.07 0.76 -1.43 121.20 131.02 1wvz s ILE 72 Ca 0.04 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1wvz s ILE 72 Cb -0.13 -3.34 0.02 0.00 0.13 0.00 0.00 42.46 39.13 1wvz s ILE 72 CO -0.07 0.23 -0.15 0.00 -1.91 0.00 0.00 174.94 173.04 1wvz s MET 73 N 1.68 2.41 -0.17 3.50 0.23 -0.88 -2.27 119.30 123.80 1wvz s MET 73 Ca 0.06 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 53.83 1wvz s MET 73 Cb -0.16 -2.16 -0.01 0.00 -1.53 0.00 0.00 34.83 30.98 1wvz s MET 73 CO 0.08 -0.20 1.19 -2.00 -2.03 0.00 0.00 175.02 172.06 1wvz s GLU 74 N 1.38 4.25 -0.25 3.16 2.12 -1.26 -1.15 118.70 126.96 1wvz s GLU 74 Ca 0.03 1.58 -0.01 0.00 0.36 0.00 0.00 54.97 56.93 1wvz s GLU 74 Cb -0.13 -3.71 0.08 0.00 0.26 0.00 0.00 34.13 30.62 1wvz s GLU 74 CO -0.10 -0.65 0.04 -1.12 -0.54 0.00 0.00 175.26 172.89 1wvz s SER 75 N 1.71 3.51 -0.19 -1.70 0.01 -1.22 -3.32 113.70 112.50 1wvz s SER 75 Ca 0.52 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 56.40 1wvz s SER 75 Cb -0.20 -0.80 -0.20 0.00 0.21 0.00 0.00 66.02 65.02 1wvz s SER 75 CO 0.13 -0.34 0.21 0.55 0.41 0.00 0.00 173.24 174.21 1wvz n VAL 76 N 4.90 1.59 -0.06 3.43 3.14 -1.26 -3.93 118.33 126.14 1wvz n VAL 76 Ca -0.07 -0.18 -0.22 0.00 -2.96 0.00 0.00 64.34 60.91 1wvz n VAL 76 Cb 0.45 -1.97 -0.12 0.00 -1.06 0.00 0.00 33.84 31.14 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 -4.21 1.64 0.31 1.55 0.31 -1.26 -3.69 118.33 112.98 1wvz n VAL 77 Ca -0.33 -0.36 0.21 0.00 -0.01 0.00 0.00 64.34 63.84 1wvz n VAL 77 Cb 0.77 -1.86 1.07 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.47 0.00 -0.25 5.55 0.11 -1.96 -2.52 132.00 132.45 1wvz h PRO 78 Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1wvz h PRO 78 Cb 1.68 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.78 1wvz h PRO 78 CO -0.09 0.00 0.39 1.03 -0.21 0.00 0.00 178.00 179.12 1wvz h SER 79 N 0.00 0.00 -0.91 -2.05 0.87 -1.73 0.59 113.55 110.33 1wvz h SER 79 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1wvz h SER 79 Cb 0.08 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.97 1wvz h SER 79 CO 0.00 0.00 0.58 -0.78 -0.53 0.00 0.00 176.83 176.10 1wvz h ASP 80 N 0.00 0.75 -3.37 6.23 3.58 -1.72 -3.34 116.42 118.55 1wvz h ASP 80 Ca 0.12 0.03 -0.66 0.00 0.42 0.00 0.00 57.03 56.94 1wvz h ASP 80 Cb 0.90 -0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.67 1wvz h ASP 80 CO -0.00 0.41 0.16 -1.59 -2.88 0.00 0.00 179.24 175.34 1wvz s LYS 81 N -5.77 3.21 -1.07 0.28 -2.85 0.20 -4.75 119.74 108.99 1wvz s LYS 81 Ca -0.11 -0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 54.25 1wvz s LYS 81 Cb 0.22 -4.04 0.28 0.00 -2.06 0.00 0.00 37.83 32.23 1wvz s LYS 81 CO 0.79 -1.18 1.95 0.41 0.10 0.00 0.00 175.35 177.42 1wvz n GLY 82 N 5.11 5.93 2.97 0.59 0.00 -1.25 -4.80 105.19 113.75 1wvz n GLY 82 Ca -0.03 -2.47 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.00 3.96 -0.15 1.61 3.84 -1.26 -0.97 114.94 120.97 1wvz s ASN 83 Ca 0.43 -1.21 -0.18 0.00 0.21 0.00 0.00 52.86 52.11 1wvz s ASN 83 Cb 0.20 -1.27 -0.04 0.00 -0.55 0.00 0.00 41.25 39.60 1wvz s ASN 83 CO -0.14 -0.22 0.47 -0.47 -2.79 0.00 0.00 177.10 173.95 1wvz s TYR 84 N 1.33 3.46 -0.14 0.43 5.04 -0.97 -1.96 117.35 124.55 1wvz s TYR 84 Ca -0.06 0.81 -0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1wvz s TYR 84 Cb -0.19 -2.56 0.03 0.00 0.35 0.00 0.00 41.96 39.58 1wvz s TYR 84 CO -0.06 0.09 -0.10 0.99 -1.34 0.00 0.00 175.55 175.13 1wvz s THR 85 N 0.94 1.27 -0.42 4.34 2.01 0.27 -0.80 115.64 123.24 1wvz s THR 85 Ca 0.24 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 1wvz s THR 85 Cb -0.15 -1.28 0.11 0.00 0.01 0.00 0.00 72.50 71.20 1wvz s THR 85 CO 0.09 0.35 0.24 0.00 -0.69 0.00 0.00 174.62 174.61 1wvz s VAL 87 N 1.21 3.78 -0.33 0.00 1.01 -1.05 0.06 120.40 125.08 1wvz s VAL 87 Ca 0.07 -1.57 -0.10 0.00 0.00 0.00 0.00 61.98 60.38 1wvz s VAL 87 Cb -0.24 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wvz s VAL 87 CO -0.03 -0.49 0.18 0.54 0.00 0.00 0.00 175.10 175.30 1wvz s VAL 88 N 1.32 4.69 0.07 2.92 0.11 -0.36 0.12 120.40 129.28 1wvz s VAL 88 Ca 0.03 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1wvz s VAL 88 Cb -0.22 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1wvz s VAL 88 CO -0.00 -0.01 0.17 -0.70 -3.33 0.00 0.00 175.10 171.23 1wvz s GLU 89 N 1.62 3.26 0.27 1.54 2.12 0.48 -1.28 118.70 126.70 1wvz s GLU 89 Ca 0.04 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.85 1wvz s GLU 89 Cb -0.18 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1wvz s GLU 89 CO 0.07 0.59 0.24 0.54 -0.54 0.00 0.00 175.26 176.15 1wvz s ASN 90 N -2.53 0.80 0.55 -1.70 4.22 0.27 -1.90 114.94 114.64 1wvz s ASN 90 Ca 0.33 -1.52 0.35 0.00 -2.14 0.00 0.00 52.86 49.88 1wvz s ASN 90 Cb -0.13 0.48 1.51 0.00 1.28 0.00 0.00 41.25 44.40 1wvz s ASN 90 CO 0.26 -0.98 2.02 -0.08 -2.04 0.00 0.00 177.10 176.28 1wvz h GLU 91 N 2.37 0.00 -0.10 3.55 4.57 -1.89 -2.62 114.58 120.46 1wvz h GLU 91 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1wvz h GLU 91 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1wvz h GLU 91 CO 0.44 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.93 1wvz n TYR 92 N -3.02 0.11 0.00 0.92 4.02 -1.26 -5.06 117.16 112.87 1wvz n TYR 92 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1wvz n TYR 92 Cb 0.26 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wvz n GLY 93 N 1.19 1.62 3.10 2.72 0.00 -0.99 -4.96 105.19 107.87 1wvz n GLY 93 Ca 0.13 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 1.73 0.16 1.61 1.04 -1.26 0.96 113.70 117.94 1wvz s SER 94 Ca 0.00 -0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 1wvz s SER 94 CO 0.00 0.15 -0.19 -0.63 0.98 0.00 0.00 173.24 173.55 1wvz s ILE 95 N -0.12 1.88 0.02 -1.02 1.01 -0.40 -4.98 121.20 117.59 1wvz s ILE 95 Ca 0.01 -1.91 0.04 0.00 0.00 0.00 0.00 60.65 58.80 1wvz s ILE 95 Cb -0.08 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1wvz s ILE 95 CO 0.00 -0.27 -0.13 0.54 0.00 0.00 0.00 174.94 175.08 1wvz s ASN 96 N -2.61 1.49 -0.03 3.58 2.20 -1.26 -1.22 114.94 117.09 1wvz s ASN 96 Ca 0.16 -0.38 0.01 0.00 -0.94 0.00 0.00 52.86 51.71 1wvz s ASN 96 Cb -0.06 -0.11 0.02 0.00 -2.00 0.00 0.00 41.25 39.10 1wvz s ASN 96 CO 0.07 0.05 -0.02 -1.00 -2.94 0.00 0.00 177.10 173.26 1wvz s HIS 97 N -0.68 0.49 -0.07 1.54 3.76 0.11 -4.96 115.29 115.48 1wvz s HIS 97 Ca 0.02 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1wvz s HIS 97 Cb -0.07 -0.47 -0.02 0.00 1.11 0.00 0.00 32.58 33.13 1wvz s HIS 97 CO 0.01 -0.13 -0.18 0.99 -0.85 0.00 0.00 174.74 174.58 1wvz s THR 98 N 0.77 2.72 0.02 1.30 2.01 -1.26 0.43 115.64 121.62 1wvz s THR 98 Ca -0.09 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1wvz s THR 98 Cb -0.12 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1wvz s THR 98 CO -0.01 0.57 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.09 1wvz s TYR 99 N -0.34 0.83 -0.58 4.92 1.51 0.02 -5.02 117.35 118.69 1wvz s TYR 99 Ca 0.03 -0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 55.56 1wvz s TYR 99 Cb -0.13 -0.51 0.04 0.00 -0.11 0.00 0.00 41.96 41.26 1wvz s TYR 99 CO 0.02 -0.01 1.00 -1.01 -1.11 0.00 0.00 175.55 174.44 1wvz s HIS 100 N -0.66 2.72 0.06 2.71 3.76 -0.94 -2.28 115.29 120.66 1wvz s HIS 100 Ca -0.01 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 1wvz s HIS 100 Cb -0.06 -4.20 -0.04 0.00 1.11 0.00 0.00 32.58 29.39 1wvz s HIS 100 CO 0.00 -1.47 -0.04 -0.51 -0.85 0.00 0.00 174.74 171.87 1wvz s LEU 101 N 4.23 3.28 -0.05 0.89 1.43 -0.14 -2.28 118.68 126.04 1wvz s LEU 101 Ca 0.31 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1wvz s LEU 101 Cb -0.12 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1wvz s LEU 101 CO 0.19 0.22 -0.08 -0.62 0.23 0.00 0.00 176.35 176.28 1wvz s ASP 102 N -1.95 1.32 0.23 2.29 -1.08 -0.55 -4.30 116.67 112.62 1wvz s ASP 102 Ca 0.22 -0.21 -0.30 0.00 -0.52 0.00 0.00 52.55 51.74 1wvz s ASP 102 Cb -0.11 -0.61 -0.09 0.00 -1.46 0.00 0.00 42.92 40.64 1wvz s ASP 102 CO 0.13 -0.01 0.95 0.54 0.52 0.00 0.00 175.17 177.30 1wvz s VAL 103 N 0.76 4.08 0.00 1.11 0.11 -1.26 0.16 120.40 125.36 1wvz s VAL 103 Ca -0.13 2.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.99 1wvz s VAL 103 Cb -0.15 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.39 1wvz s VAL 103 CO 0.02 0.48 0.35 0.52 -3.33 0.00 0.00 175.10 173.14