#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 -4.36 6.41 3.02 -1.26 -5.11 115.26 113.97 1wvz n ASN 5 Ca 0.00 -0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.89 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 0.06 3.44 -0.08 3.52 0.00 -1.26 -3.69 119.74 121.73 1wvz s LYS 6 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 55.97 55.33 1wvz s LYS 6 Cb 0.00 -2.94 0.04 0.00 0.00 0.00 0.00 37.83 34.93 1wvz s LYS 6 CO 0.00 -0.05 0.16 1.03 0.00 0.00 0.00 175.35 176.48 1wvz s ARG 7 N 1.11 0.06 -0.20 1.78 3.00 -1.26 -4.15 118.95 119.29 1wvz s ARG 7 Ca 0.01 0.49 -0.38 0.00 0.00 0.00 0.00 55.73 55.85 1wvz s ARG 7 Cb -0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 34.95 34.39 1wvz s ARG 7 CO -0.00 -0.25 1.17 0.00 0.00 0.00 0.00 175.30 176.21 1wvz n ALA 8 N 4.89 -2.38 -2.70 2.13 0.00 -1.26 -2.62 120.51 118.57 1wvz n ALA 8 Ca -0.13 0.50 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 1wvz n ALA 8 Cb 0.51 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 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 1.20 4.34 -0.17 0.00 0.04 -1.26 -4.61 135.00 134.54 1wvz s PRO 9 Ca 0.87 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 1wvz s PRO 9 Cb -1.23 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 29.81 1wvz s PRO 9 CO 0.61 -0.02 0.88 0.71 0.04 0.00 0.00 177.00 179.21 1wvz s TYR 10 N 1.15 3.42 0.05 0.56 1.51 0.43 -4.59 117.35 119.88 1wvz s TYR 10 Ca 0.32 1.32 -0.37 0.00 -1.01 0.00 0.00 57.07 57.33 1wvz s TYR 10 Cb -0.16 -3.07 -0.17 0.00 -0.11 0.00 0.00 41.96 38.45 1wvz s TYR 10 CO 0.14 -0.27 1.37 -2.67 -1.11 0.00 0.00 175.55 173.00 1wvz n TRP 11 N 5.35 1.53 -0.12 2.71 2.14 -1.26 0.96 117.44 128.75 1wvz n TRP 11 Ca 0.06 0.64 -0.22 0.00 2.07 0.00 0.00 57.50 60.05 1wvz n TRP 11 Cb 0.48 -2.33 -0.12 0.00 -0.81 0.00 0.00 31.31 28.53 1wvz n TRP 11 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1wvz n THR 12 N 2.66 1.53 -3.97 -1.67 5.66 -0.98 -4.76 114.28 112.76 1wvz n THR 12 Ca 0.19 -0.51 -0.35 0.00 -3.05 0.00 0.00 64.05 60.34 1wvz n THR 12 Cb 0.18 -1.61 -0.09 0.00 -1.55 0.00 0.00 70.33 67.27 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1wvz s ASN 13 N -6.86 5.78 0.14 1.09 -0.87 -1.26 -5.06 114.94 107.90 1wvz s ASN 13 Ca -0.35 0.15 -0.31 0.00 -1.57 0.00 0.00 52.86 50.78 1wvz s ASN 13 Cb 0.10 -1.97 -0.09 0.00 -0.02 0.00 0.00 41.25 39.27 1wvz s ASN 13 CO 0.59 0.21 1.56 -0.89 -2.57 0.00 0.00 177.10 175.99 1wvz s THR 14 N 0.16 2.82 -0.44 1.60 2.01 -1.26 -4.83 115.64 115.70 1wvz s THR 14 Ca 0.06 0.53 0.25 0.00 0.31 0.00 0.00 61.69 62.84 1wvz s THR 14 Cb -0.12 -3.34 0.33 0.00 0.01 0.00 0.00 72.50 69.38 1wvz s THR 14 CO 0.00 0.03 1.71 1.05 -0.69 0.00 0.00 174.62 176.73 1wvz h GLU 15 N 7.12 0.00 0.00 4.92 9.09 -1.97 -2.95 114.58 130.79 1wvz h GLU 15 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1wvz h GLU 15 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1wvz h GLU 15 CO 0.91 0.00 0.00 1.17 0.05 0.00 0.00 179.01 181.14 1wvz n LYS 16 N -2.82 0.17 -0.75 1.06 0.00 -1.26 -1.76 118.16 112.80 1wvz n LYS 16 Ca 0.04 0.47 0.06 0.00 0.00 0.00 0.00 58.31 58.87 1wvz n LYS 16 Cb 0.45 -1.87 0.13 0.00 0.00 0.00 0.00 35.03 33.74 1wvz n LYS 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1wvz n MET 17 N -2.19 0.96 0.00 1.64 0.00 -1.11 -4.74 117.12 111.67 1wvz n MET 17 Ca 0.01 -2.61 0.00 0.00 0.00 0.00 0.00 57.70 55.10 1wvz n MET 17 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 32.34 1wvz n MET 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1wvz n GLU 18 N -0.63 0.00 -0.11 0.03 2.13 -1.07 -5.00 120.64 115.99 1wvz n GLU 18 Ca 0.13 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 1wvz n GLU 18 Cb 0.81 -0.11 -0.13 0.00 0.27 0.00 0.00 31.44 32.29 1wvz n GLU 18 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wvz n LYS 19 N -1.52 0.70 -0.85 5.31 4.76 -0.72 -4.61 118.16 121.23 1wvz n LYS 19 Ca 0.00 0.09 -0.20 0.00 -2.87 0.00 0.00 58.31 55.34 1wvz n LYS 19 Cb 0.00 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.63 1wvz n LYS 19 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1wvz n ARG 20 N -3.05 2.14 -3.41 1.97 1.85 -0.91 -4.55 116.66 110.71 1wvz n ARG 20 Ca -0.39 -1.28 -0.45 0.00 -1.00 0.00 0.00 57.85 54.73 1wvz n ARG 20 Cb 1.01 -2.26 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.07 6.41 0.61 2.89 1.43 -0.96 -4.48 118.68 124.65 1wvz s LEU 21 Ca 0.50 -2.63 0.28 0.00 -1.03 0.00 0.00 54.13 51.25 1wvz s LEU 21 Cb 0.18 -2.14 1.44 0.00 0.03 0.00 0.00 46.19 45.70 1wvz s LEU 21 CO -0.02 -0.56 1.85 1.12 0.23 0.00 0.00 176.35 178.96 1wvz h HIS 22 N 7.75 0.00 -3.47 0.29 2.07 0.14 -3.34 115.15 118.59 1wvz h HIS 22 Ca 0.04 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.99 1wvz h HIS 22 Cb 1.03 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.92 1wvz h HIS 22 CO 0.94 0.00 0.83 0.00 -3.07 0.00 0.00 177.93 176.63 1wvz s ALA 23 N -4.45 3.12 -0.01 6.11 0.00 -1.26 0.16 121.76 125.43 1wvz s ALA 23 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1wvz s ALA 23 Cb 0.13 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1wvz s ALA 23 CO 0.45 -2.37 -0.04 0.08 0.00 0.00 0.00 175.76 173.88 1wvz s VAL 24 N 4.43 0.34 -0.08 0.00 1.01 -0.35 -4.84 120.40 120.91 1wvz s VAL 24 Ca 0.42 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1wvz s VAL 24 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1wvz s VAL 24 CO 0.27 0.11 1.07 -2.16 0.00 0.00 0.00 175.10 174.40 1wvz s PRO 25 N 0.12 4.41 0.34 2.72 0.04 -1.26 -1.64 135.00 139.72 1wvz s PRO 25 Ca -0.01 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1wvz s PRO 25 Cb -0.04 -3.54 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 1wvz s PRO 25 CO -0.00 -0.34 1.20 0.00 0.04 0.00 0.00 177.00 177.90 1wvz s ALA 26 N 1.99 3.36 -1.35 8.56 0.00 -0.91 -2.87 121.76 130.54 1wvz s ALA 26 Ca 0.51 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1wvz s ALA 26 Cb -0.21 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1wvz s ALA 26 CO 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 175.76 175.50 1wvz n ALA 27 N 0.69 -0.23 -2.52 0.00 0.00 -1.26 -5.00 120.51 112.19 1wvz n ALA 27 Ca 0.01 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 1wvz n ALA 27 Cb 0.44 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 1wvz n ALA 27 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wvz s ASN 28 N -2.79 3.20 0.37 0.00 0.01 -1.14 -4.85 114.94 109.74 1wvz s ASN 28 Ca 0.00 -1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 50.60 1wvz s ASN 28 Cb 0.00 -0.26 -0.10 0.00 0.41 0.00 0.00 41.25 41.30 1wvz s ASN 28 CO 0.00 -0.44 0.96 0.28 -1.51 0.00 0.00 177.10 176.39 1wvz s THR 29 N -2.93 4.22 -0.10 1.60 -1.32 -1.26 -3.90 115.64 111.95 1wvz s THR 29 Ca 0.34 1.64 -0.02 0.00 -1.21 0.00 0.00 61.69 62.44 1wvz s THR 29 Cb 0.07 -3.81 -0.03 0.00 -1.51 0.00 0.00 72.50 67.22 1wvz s THR 29 CO 0.16 -0.05 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.81 1wvz s VAL 30 N -1.84 4.12 -0.27 5.08 1.01 0.27 -4.93 120.40 123.85 1wvz s VAL 30 Ca 0.56 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1wvz s VAL 30 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1wvz s VAL 30 CO 0.20 0.58 0.63 -0.75 0.00 0.00 0.00 175.10 175.76 1wvz s LYS 31 N -0.57 4.05 -0.19 2.72 2.36 -1.26 -1.87 119.74 124.98 1wvz s LYS 31 Ca 0.09 0.48 0.00 0.00 -2.55 0.00 0.00 55.97 54.00 1wvz s LYS 31 Cb -0.12 -3.67 0.02 0.00 -1.05 0.00 0.00 37.83 33.01 1wvz s LYS 31 CO 0.02 -0.46 -0.16 0.12 1.55 0.00 0.00 175.35 176.41 1wvz s PHE 32 N 2.55 2.85 -0.05 4.03 5.36 -0.77 -4.96 117.98 126.98 1wvz s PHE 32 Ca 0.26 -1.55 0.04 0.00 -0.96 0.00 0.00 56.93 54.72 1wvz s PHE 32 Cb -0.15 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1wvz s PHE 32 CO 0.09 -0.76 -0.15 1.03 -1.46 0.00 0.00 175.22 173.98 1wvz s ARG 33 N 1.32 2.52 -0.45 10.12 1.81 -1.26 -0.98 118.95 132.03 1wvz s ARG 33 Ca 0.04 -0.70 0.07 0.00 -1.72 0.00 0.00 55.73 53.42 1wvz s ARG 33 Cb -0.14 -2.38 0.31 0.00 -0.45 0.00 0.00 34.95 32.30 1wvz s ARG 33 CO -0.11 0.61 1.00 0.00 -0.68 0.00 0.00 175.30 176.12 1wvz s PRO 35 N -0.21 4.47 -0.24 0.00 0.04 -1.05 -4.12 135.00 133.89 1wvz s PRO 35 Ca 0.27 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.24 1wvz s PRO 35 Cb 0.29 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.61 1wvz s PRO 35 CO -0.08 0.41 0.54 0.00 0.04 0.00 0.00 177.00 177.90 1wvz s ALA 36 N -0.48 -1.55 0.04 8.56 0.00 -1.26 -2.31 121.76 124.76 1wvz s ALA 36 Ca 0.36 1.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1wvz s ALA 36 Cb -0.21 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1wvz s ALA 36 CO 0.23 -0.70 1.14 0.20 0.00 0.00 0.00 175.76 176.63 1wvz s GLY 37 N 2.41 2.54 0.00 0.00 0.00 0.27 -4.42 107.32 108.12 1wvz s GLY 37 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1wvz s GLY 37 CO -0.16 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.50 1wvz n GLY 38 N 3.13 1.31 3.92 0.20 0.00 -1.26 0.16 105.19 112.66 1wvz n GLY 38 Ca 0.08 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 4.14 -0.00 1.61 0.02 -1.08 -4.96 114.94 116.67 1wvz s ASN 39 Ca 0.00 0.48 0.03 0.00 -1.02 0.00 0.00 52.86 52.35 1wvz s ASN 39 Cb 0.00 -0.87 0.08 0.00 0.02 0.00 0.00 41.25 40.48 1wvz s ASN 39 CO 0.00 -2.09 1.05 -0.81 0.02 0.00 0.00 177.10 175.27 1wvz n PRO 40 N -3.34 1.20 -3.57 -0.60 -0.04 -1.26 -4.36 135.00 123.04 1wvz n PRO 40 Ca 0.11 -0.31 -0.27 0.00 -0.04 0.00 0.00 63.50 62.99 1wvz n PRO 40 Cb 0.60 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.24 1.98 -3.51 0.54 1.56 -1.24 -5.05 117.12 111.15 1wvz n MET 41 Ca 0.03 -4.39 -0.38 0.00 -0.27 0.00 0.00 57.70 52.69 1wvz n MET 41 Cb 0.08 -2.14 -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 -1.85 4.08 -0.44 2.12 0.04 -1.26 -4.39 135.00 133.29 1wvz s PRO 42 Ca 0.34 -0.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 1wvz s PRO 42 Cb 0.08 -3.58 0.07 0.00 0.04 0.00 0.00 34.50 31.11 1wvz s PRO 42 CO -0.09 -0.07 0.32 0.99 0.04 0.00 0.00 177.00 178.20 1wvz s THR 43 N 1.42 4.79 -0.10 1.26 2.01 -0.83 -5.02 115.64 119.17 1wvz s THR 43 Ca 0.13 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1wvz s THR 43 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1wvz s THR 43 CO 0.07 -0.51 -0.12 0.00 -0.69 0.00 0.00 174.62 173.37 1wvz s MET 44 N 1.55 3.08 -0.02 4.92 0.23 -1.26 0.17 119.30 127.97 1wvz s MET 44 Ca 0.03 -0.65 0.04 0.00 -1.03 0.00 0.00 55.69 54.08 1wvz s MET 44 Cb -0.23 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.46 1wvz s MET 44 CO 0.05 0.39 -0.11 1.03 -2.03 0.00 0.00 175.02 174.35 1wvz s ARG 45 N -0.10 2.49 -0.27 3.16 0.52 0.34 -4.97 118.95 120.12 1wvz s ARG 45 Ca -0.01 -0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 1wvz s ARG 45 Cb -0.14 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 1wvz s ARG 45 CO 0.03 0.61 0.08 -1.58 0.02 0.00 0.00 175.30 174.46 1wvz s TRP 46 N -0.87 3.10 -0.04 -0.53 0.51 -1.26 -2.45 118.94 117.40 1wvz s TRP 46 Ca 0.14 -0.57 0.01 0.00 -2.12 0.00 0.00 56.10 53.56 1wvz s TRP 46 Cb -0.11 -2.25 0.02 0.00 -0.81 0.00 0.00 33.47 30.32 1wvz s TRP 46 CO 0.04 -0.42 -0.03 -0.51 -0.51 0.00 0.00 176.95 175.52 1wvz s LEU 47 N 1.59 1.22 -0.21 2.99 1.02 -0.98 -2.54 118.68 121.77 1wvz s LEU 47 Ca 0.05 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1wvz s LEU 47 Cb -0.16 -0.38 0.05 0.00 0.02 0.00 0.00 46.19 45.72 1wvz s LEU 47 CO 0.03 -0.08 -0.07 -1.59 0.02 0.00 0.00 176.35 174.67 1wvz s LYS 48 N 1.04 1.70 -0.77 1.70 -2.85 0.43 0.78 119.74 121.77 1wvz s LYS 48 Ca -0.09 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 1wvz s LYS 48 Cb -0.14 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 1wvz s LYS 48 CO -0.01 -0.51 0.00 -1.71 0.10 0.00 0.00 175.35 173.22 1wvz n ASN 49 N 4.73 -2.71 0.00 0.03 5.15 0.16 0.11 115.26 122.72 1wvz n ASN 49 Ca -0.13 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1wvz n ASN 49 Cb 0.46 -2.46 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 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 -0.53 0.61 3.75 8.20 0.00 -1.26 -5.06 105.19 110.89 1wvz n GLY 50 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.62 4.21 0.09 1.61 2.36 0.30 -5.08 119.74 122.61 1wvz s LYS 51 Ca 0.00 0.26 0.04 0.00 -2.55 0.00 0.00 55.97 53.72 1wvz s LYS 51 Cb 0.00 -3.39 -0.04 0.00 -1.05 0.00 0.00 37.83 33.35 1wvz s LYS 51 CO 0.00 0.29 0.05 -1.21 1.55 0.00 0.00 175.35 176.03 1wvz s GLU 52 N 0.25 2.74 -0.15 4.03 2.02 -1.26 0.16 118.70 126.50 1wvz s GLU 52 Ca 0.21 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1wvz s GLU 52 Cb -0.14 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1wvz s GLU 52 CO 0.07 0.55 -0.13 -0.59 0.02 0.00 0.00 175.26 175.18 1wvz s PHE 53 N -1.38 2.12 0.00 1.61 -0.12 -1.05 -4.91 117.98 114.24 1wvz s PHE 53 Ca 0.28 -1.21 0.00 0.00 -0.05 0.00 0.00 56.93 55.95 1wvz s PHE 53 Cb -0.12 -1.56 0.00 0.00 -0.63 0.00 0.00 43.02 40.71 1wvz s PHE 53 CO 0.21 -0.66 0.00 1.63 -0.05 0.00 0.00 175.22 176.34 1wvz n LYS 54 N 4.78 0.00 0.22 1.99 5.02 -1.26 -4.70 118.16 124.21 1wvz n LYS 54 Ca -0.16 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.30 1wvz n LYS 54 Cb 0.50 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 36.35 1wvz n LYS 54 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wvz h GLN 55 N 0.00 0.00 -2.09 1.97 4.20 -2.05 0.66 115.11 117.80 1wvz h GLN 55 Ca 0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 1wvz h GLN 55 Cb 0.00 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.57 1wvz h GLN 55 CO 0.00 0.00 0.89 -1.91 -0.67 0.00 0.00 178.83 177.14 1wvz n GLU 56 N -3.77 3.01 -1.02 1.46 2.13 -1.26 -5.01 120.64 116.19 1wvz n GLU 56 Ca 0.01 -3.06 -0.36 0.00 0.66 0.00 0.00 57.16 54.41 1wvz n GLU 56 Cb 0.30 -2.27 0.05 0.00 0.27 0.00 0.00 31.44 29.79 1wvz n GLU 56 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1wvz n HIS 57 N 0.41 -4.03 -2.83 4.31 1.44 0.22 -4.82 115.22 109.91 1wvz n HIS 57 Ca 0.52 0.09 -0.39 0.00 -2.01 0.00 0.00 57.72 55.93 1wvz n HIS 57 Cb 0.39 -1.55 -0.06 0.00 0.12 0.00 0.00 29.99 28.88 1wvz n HIS 57 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wvz s ARG 58 N -2.19 4.70 0.03 -1.40 0.52 -1.26 -4.95 118.95 114.41 1wvz s ARG 58 Ca 0.47 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.72 1wvz s ARG 58 Cb -0.24 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 1wvz s ARG 58 CO 0.77 0.48 1.95 0.42 0.02 0.00 0.00 175.30 178.94 1wvz s ILE 59 N -1.28 3.05 0.00 1.52 -1.09 -1.14 -2.72 121.20 119.54 1wvz s ILE 59 Ca 0.42 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1wvz s ILE 59 Cb -0.23 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1wvz s ILE 59 CO 0.28 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1wvz n GLY 60 N 4.53 2.51 0.00 6.18 0.00 -1.26 -4.06 105.19 113.09 1wvz n GLY 60 Ca 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 3.85 -0.02 0.00 -1.10 -4.95 105.19 106.78 1wvz n GLY 61 Ca 0.00 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 3.67 -0.04 1.61 -0.85 -1.26 -4.24 117.35 116.24 1wvz s TYR 62 Ca 0.00 0.80 -0.09 0.00 -0.52 0.00 0.00 57.07 57.26 1wvz s TYR 62 Cb 0.00 -2.15 0.01 0.00 0.38 0.00 0.00 41.96 40.21 1wvz s TYR 62 CO 0.00 0.68 0.20 0.15 -1.52 0.00 0.00 175.55 175.06 1wvz s LYS 63 N -1.04 0.41 -0.01 -3.49 3.01 -0.86 -5.02 119.74 112.73 1wvz s LYS 63 Ca 0.20 -0.03 0.01 0.00 -1.01 0.00 0.00 55.97 55.14 1wvz s LYS 63 Cb -0.15 0.18 0.01 0.00 -1.01 0.00 0.00 37.83 36.86 1wvz s LYS 63 CO 0.09 -0.09 -0.03 0.14 0.51 0.00 0.00 175.35 175.98 1wvz s VAL 64 N -0.66 0.29 -0.30 3.17 -7.23 -1.26 0.03 120.40 114.44 1wvz s VAL 64 Ca -0.08 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1wvz s VAL 64 Cb -0.04 -0.29 -0.00 0.00 0.56 0.00 0.00 36.38 36.60 1wvz s VAL 64 CO 0.01 0.12 1.33 -0.60 -0.31 0.00 0.00 175.10 175.65 1wvz s ARG 65 N 0.34 3.90 0.00 4.82 3.00 0.17 -4.54 118.95 126.63 1wvz s ARG 65 Ca -0.03 1.27 0.00 0.00 -1.00 0.00 0.00 55.73 55.97 1wvz s ARG 65 Cb -0.06 -3.89 0.00 0.00 0.00 0.00 0.00 34.95 30.99 1wvz s ARG 65 CO -0.01 -1.14 0.00 -1.71 0.00 0.00 0.00 175.30 172.44 1wvz n ASN 66 N 7.71 0.00 0.00 -2.12 5.15 -1.26 -3.30 115.26 121.44 1wvz n ASN 66 Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1wvz n ASN 66 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1wvz n GLN 67 N 0.00 0.00 -3.52 1.20 7.27 -1.26 -5.10 117.38 115.97 1wvz n GLN 67 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 1wvz n GLN 67 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 1wvz n GLN 67 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1wvz s HIS 68 N -0.73 -0.02 0.00 3.69 -3.43 -1.21 -4.97 115.29 108.62 1wvz s HIS 68 Ca 0.00 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1wvz s HIS 68 Cb 0.00 -0.62 0.00 0.00 -1.43 0.00 0.00 32.58 30.53 1wvz s HIS 68 CO 0.00 -0.71 0.00 1.87 -2.00 0.00 0.00 174.74 173.90 1wvz n TRP 69 N 5.29 0.00 -4.09 0.38 -0.00 -1.26 -4.70 117.44 113.06 1wvz n TRP 69 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.31 1wvz n TRP 69 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.66 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1wvz s SER 70 N -1.49 1.01 -0.04 5.87 0.01 -1.26 -1.52 113.70 116.28 1wvz s SER 70 Ca 0.00 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1wvz s SER 70 Cb 0.00 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1wvz s SER 70 CO 0.00 -0.19 0.11 -1.48 0.41 0.00 0.00 173.24 172.08 1wvz s LEU 71 N -1.67 1.42 -0.24 2.44 0.05 -0.15 0.42 118.68 120.94 1wvz s LEU 71 Ca -0.08 0.21 -0.08 0.00 0.05 0.00 0.00 54.13 54.24 1wvz s LEU 71 Cb -0.09 0.33 -0.03 0.00 -2.05 0.00 0.00 46.19 44.34 1wvz s LEU 71 CO 0.01 -0.06 0.09 -0.51 -0.55 0.00 0.00 176.35 175.32 1wvz s ILE 72 N 0.31 4.57 0.12 1.48 2.07 0.10 -1.84 121.20 128.00 1wvz s ILE 72 Ca -0.02 -0.09 0.09 0.00 -1.41 0.00 0.00 60.65 59.22 1wvz s ILE 72 Cb -0.03 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 39.39 1wvz s ILE 72 CO -0.01 0.35 -0.23 0.00 -1.91 0.00 0.00 174.94 173.14 1wvz s MET 73 N 1.39 1.23 -0.23 3.50 0.23 -0.78 -2.03 119.30 122.61 1wvz s MET 73 Ca 0.06 -1.24 -0.00 0.00 -1.03 0.00 0.00 55.69 53.47 1wvz s MET 73 Cb -0.15 -1.56 0.03 0.00 -1.53 0.00 0.00 34.83 31.62 1wvz s MET 73 CO 0.04 0.36 -0.11 -2.00 -2.03 0.00 0.00 175.02 171.29 1wvz s GLU 74 N -2.01 2.83 -0.33 3.16 2.56 -1.26 0.96 118.70 124.61 1wvz s GLU 74 Ca 0.10 -0.96 -0.00 0.00 0.00 0.00 0.00 54.97 54.10 1wvz s GLU 74 Cb -0.10 -2.84 0.11 0.00 2.00 0.00 0.00 34.13 33.30 1wvz s GLU 74 CO 0.05 -0.35 0.13 -1.54 -0.56 0.00 0.00 175.26 172.99 1wvz s SER 75 N 1.29 3.89 -0.06 -1.70 1.04 -1.25 -2.89 113.70 114.02 1wvz s SER 75 Ca 0.01 -1.83 -0.18 0.00 0.48 0.00 0.00 55.95 54.42 1wvz s SER 75 Cb -0.16 -0.85 -0.31 0.00 0.10 0.00 0.00 66.02 64.81 1wvz s SER 75 CO -0.07 -0.38 0.77 -0.37 0.98 0.00 0.00 173.24 174.16 1wvz h VAL 76 N 6.18 1.25 0.02 5.02 -1.51 -1.82 -3.25 116.25 122.15 1wvz h VAL 76 Ca -0.10 -2.51 -0.29 0.00 -1.23 0.00 0.00 66.70 62.57 1wvz h VAL 76 Cb 1.00 2.96 -0.04 0.00 -2.13 0.00 0.00 31.29 33.08 1wvz h VAL 76 CO 0.46 0.74 -1.57 0.52 -1.23 0.00 0.00 177.57 176.49 1wvz n VAL 77 N -3.94 1.57 0.29 7.19 0.31 -1.26 -4.11 118.33 118.39 1wvz n VAL 77 Ca -0.19 -0.18 0.16 0.00 -0.01 0.00 0.00 64.34 64.12 1wvz n VAL 77 Cb 0.92 -1.96 0.87 0.00 -0.91 0.00 0.00 33.84 32.76 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 -0.81 0.00 -0.23 5.55 0.11 -1.95 -1.86 132.00 132.80 1wvz h PRO 78 Ca -0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 1wvz h PRO 78 Cb 1.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.57 1wvz h PRO 78 CO -0.19 0.00 0.40 1.03 -0.21 0.00 0.00 178.00 179.03 1wvz h SER 79 N 0.00 0.00 -0.86 -2.05 0.87 -1.72 0.10 113.55 109.89 1wvz h SER 79 Ca 0.00 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.81 1wvz h SER 79 Cb 0.34 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1wvz h SER 79 CO 0.00 0.00 0.67 0.44 -0.53 0.00 0.00 176.83 177.41 1wvz h ASP 80 N 0.00 0.00 -3.59 6.23 3.32 -1.62 -3.34 116.42 117.43 1wvz h ASP 80 Ca 0.11 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.45 1wvz h ASP 80 Cb 0.91 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.21 1wvz h ASP 80 CO -0.00 0.00 -0.52 -1.59 -1.72 0.00 0.00 179.24 175.41 1wvz s LYS 81 N -4.88 2.80 -0.87 3.56 -2.85 0.02 -4.90 119.74 112.63 1wvz s LYS 81 Ca -0.05 -1.09 -0.02 0.00 -1.00 0.00 0.00 55.97 53.81 1wvz s LYS 81 Cb 0.20 -3.71 0.31 0.00 -2.06 0.00 0.00 37.83 32.57 1wvz s LYS 81 CO 0.72 -0.70 2.07 0.41 0.10 0.00 0.00 175.35 177.95 1wvz n GLY 82 N 4.98 5.54 2.94 0.59 0.00 -1.25 -4.88 105.19 113.11 1wvz n GLY 82 Ca -0.12 -2.43 -0.30 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.96 3.55 -0.15 1.61 2.47 -1.26 -2.00 114.94 118.20 1wvz s ASN 83 Ca 0.50 -1.01 -0.03 0.00 0.42 0.00 0.00 52.86 52.74 1wvz s ASN 83 Cb 0.37 -1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.01 1wvz s ASN 83 CO -0.33 -0.20 -0.06 -0.31 -3.72 0.00 0.00 177.10 172.48 1wvz s TYR 84 N 1.44 2.97 -0.14 0.43 2.02 -1.08 -0.67 117.35 122.33 1wvz s TYR 84 Ca -0.03 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1wvz s TYR 84 Cb -0.18 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1wvz s TYR 84 CO -0.07 -0.10 -0.13 0.99 -1.57 0.00 0.00 175.55 174.67 1wvz s THR 85 N 0.41 1.44 -0.44 -0.71 2.01 0.23 -0.17 115.64 118.42 1wvz s THR 85 Ca -0.05 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1wvz s THR 85 Cb -0.15 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.07 1wvz s THR 85 CO 0.03 0.44 0.31 0.00 -0.69 0.00 0.00 174.62 174.71 1wvz s VAL 87 N 1.52 4.24 -0.28 0.00 1.01 -1.03 -0.60 120.40 125.27 1wvz s VAL 87 Ca 0.03 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 1wvz s VAL 87 Cb -0.23 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1wvz s VAL 87 CO 0.04 -0.46 0.02 0.68 0.00 0.00 0.00 175.10 175.39 1wvz s VAL 88 N 1.44 3.53 0.13 2.92 -7.23 -0.47 0.13 120.40 120.84 1wvz s VAL 88 Ca 0.03 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1wvz s VAL 88 Cb -0.22 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1wvz s VAL 88 CO 0.03 0.13 0.23 -0.70 -0.31 0.00 0.00 175.10 174.48 1wvz s GLU 89 N 1.43 3.33 0.32 4.82 2.12 0.45 -1.18 118.70 129.99 1wvz s GLU 89 Ca 0.02 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.77 1wvz s GLU 89 Cb -0.17 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1wvz s GLU 89 CO -0.00 0.54 0.34 0.54 -0.54 0.00 0.00 175.26 176.13 1wvz s ASN 90 N -3.01 1.23 0.36 -1.70 4.22 0.29 -1.97 114.94 114.36 1wvz s ASN 90 Ca 0.34 -1.61 0.27 0.00 -2.14 0.00 0.00 52.86 49.72 1wvz s ASN 90 Cb -0.11 0.58 1.17 0.00 1.28 0.00 0.00 41.25 44.17 1wvz s ASN 90 CO 0.27 -1.13 1.81 -0.08 -2.04 0.00 0.00 177.10 175.93 1wvz h GLU 91 N 2.17 0.00 -0.01 3.55 4.81 -1.88 -2.72 114.58 120.50 1wvz h GLU 91 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 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 0.39 0.00 -0.09 0.98 -0.73 0.00 0.00 179.01 179.55 1wvz n TYR 92 N -2.50 0.00 0.00 0.92 4.19 -1.26 -5.04 117.16 113.48 1wvz n TYR 92 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1wvz n TYR 92 Cb 0.22 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.05 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wvz n GLY 93 N 0.86 1.47 3.08 2.98 0.00 -1.03 -4.98 105.19 107.57 1wvz n GLY 93 Ca 0.07 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 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 1.70 0.21 1.61 1.04 -1.26 0.10 113.70 117.10 1wvz s SER 94 Ca 0.00 -0.27 0.11 0.00 0.48 0.00 0.00 55.95 56.27 1wvz s SER 94 Cb 0.00 -0.41 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 1wvz s SER 94 CO 0.00 0.13 -0.23 -0.63 0.98 0.00 0.00 173.24 173.48 1wvz s ILE 95 N 0.02 2.36 0.00 -1.02 1.01 -0.32 -4.97 121.20 118.27 1wvz s ILE 95 Ca -0.01 -2.10 0.05 0.00 0.00 0.00 0.00 60.65 58.59 1wvz s ILE 95 Cb -0.09 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1wvz s ILE 95 CO 0.01 -0.18 -0.17 0.54 0.00 0.00 0.00 174.94 175.15 1wvz s ASN 96 N -2.82 1.97 -0.02 3.58 2.20 -1.26 -1.37 114.94 117.21 1wvz s ASN 96 Ca 0.22 -0.35 0.01 0.00 -0.94 0.00 0.00 52.86 51.81 1wvz s ASN 96 Cb -0.07 -0.20 0.01 0.00 -2.00 0.00 0.00 41.25 38.99 1wvz s ASN 96 CO 0.11 0.18 -0.04 -1.00 -2.94 0.00 0.00 177.10 173.40 1wvz s HIS 97 N -0.49 0.53 0.08 1.54 0.09 0.24 -4.95 115.29 112.31 1wvz s HIS 97 Ca 0.06 -0.11 0.07 0.00 -0.00 0.00 0.00 55.06 55.08 1wvz s HIS 97 Cb -0.07 -0.45 -0.04 0.00 -0.00 0.00 0.00 32.58 32.02 1wvz s HIS 97 CO -0.00 -0.10 -0.12 0.99 -0.00 0.00 0.00 174.74 175.51 1wvz s THR 98 N 0.48 3.24 -0.01 1.30 2.01 -1.26 0.12 115.64 121.52 1wvz s THR 98 Ca -0.06 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.75 1wvz s THR 98 Cb -0.09 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1wvz s THR 98 CO -0.00 0.20 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.79 1wvz s TYR 99 N -1.12 0.36 -0.60 4.92 2.02 0.75 -4.86 117.35 118.83 1wvz s TYR 99 Ca 0.19 -0.06 -0.23 0.00 -0.37 0.00 0.00 57.07 56.60 1wvz s TYR 99 Cb -0.11 -0.29 0.05 0.00 -0.40 0.00 0.00 41.96 41.21 1wvz s TYR 99 CO 0.11 -0.05 0.95 -1.01 -1.57 0.00 0.00 175.55 173.98 1wvz s HIS 100 N 0.25 2.74 -0.00 2.71 3.76 -1.26 -2.63 115.29 120.86 1wvz s HIS 100 Ca -0.02 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 54.71 1wvz s HIS 100 Cb -0.05 -4.16 -0.03 0.00 1.11 0.00 0.00 32.58 29.45 1wvz s HIS 100 CO -0.01 -1.48 -0.18 -0.51 -0.85 0.00 0.00 174.74 171.72 1wvz s LEU 101 N 4.02 2.58 -0.05 0.89 2.01 -0.85 0.17 118.68 127.45 1wvz s LEU 101 Ca 0.27 -0.34 -0.01 0.00 0.01 0.00 0.00 54.13 54.06 1wvz s LEU 101 Cb -0.14 -1.51 0.03 0.00 0.01 0.00 0.00 46.19 44.58 1wvz s LEU 101 CO 0.15 0.30 0.03 -1.81 1.01 0.00 0.00 176.35 176.03 1wvz s ASP 102 N -1.03 1.09 -0.06 2.29 1.11 0.43 -4.07 116.67 116.43 1wvz s ASP 102 Ca 0.13 0.01 -0.29 0.00 0.18 0.00 0.00 52.55 52.57 1wvz s ASP 102 Cb -0.10 -0.25 -0.02 0.00 1.07 0.00 0.00 42.92 43.62 1wvz s ASP 102 CO 0.02 -0.20 0.98 0.54 1.18 0.00 0.00 175.17 177.69 1wvz s VAL 103 N 1.83 4.83 0.00 -1.27 0.11 -1.26 -1.21 120.40 123.43 1wvz s VAL 103 Ca 0.01 2.01 0.00 0.00 -2.93 0.00 0.00 61.98 61.08 1wvz s VAL 103 Cb -0.12 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 1wvz s VAL 103 CO -0.03 0.08 0.20 1.33 -3.33 0.00 0.00 175.10 173.34