#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 0.95 -4.33 6.41 3.02 -1.26 -5.01 115.26 115.04 1wvz n ASN 5 Ca 0.00 -0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 53.95 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 -0.75 -2.62 0.00 0.00 177.26 173.89 1wvz s LYS 6 N 0.25 3.41 -0.16 3.52 2.47 -1.26 -3.69 119.74 124.28 1wvz s LYS 6 Ca 0.00 -0.61 0.01 0.00 -1.56 0.00 0.00 55.97 53.81 1wvz s LYS 6 Cb 0.00 -3.01 0.02 0.00 -1.46 0.00 0.00 37.83 33.38 1wvz s LYS 6 CO 0.00 -0.16 -0.18 1.03 0.16 0.00 0.00 175.35 176.20 1wvz s ARG 7 N 1.39 2.74 -0.33 4.03 3.00 -1.26 -4.42 118.95 124.11 1wvz s ARG 7 Ca 0.05 -0.74 -0.36 0.00 0.00 0.00 0.00 55.73 54.68 1wvz s ARG 7 Cb -0.14 -2.38 -0.16 0.00 0.00 0.00 0.00 34.95 32.27 1wvz s ARG 7 CO -0.02 -0.19 1.19 0.00 0.00 0.00 0.00 175.30 176.28 1wvz n ALA 8 N 4.58 -1.40 -2.66 2.13 0.00 -1.26 -2.73 120.51 119.17 1wvz n ALA 8 Ca -0.20 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1wvz n ALA 8 Cb 0.50 -1.49 -0.04 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 1.96 4.25 -0.25 0.00 0.04 -1.26 -4.68 135.00 135.06 1wvz s PRO 9 Ca 0.81 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1wvz s PRO 9 Cb -1.15 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1wvz s PRO 9 CO 0.61 -0.48 0.89 0.71 0.04 0.00 0.00 177.00 178.77 1wvz s TYR 10 N 2.69 3.30 0.11 0.56 1.51 0.35 -4.60 117.35 121.26 1wvz s TYR 10 Ca 0.39 1.19 -0.35 0.00 -1.01 0.00 0.00 57.07 57.28 1wvz s TYR 10 Cb -0.16 -3.15 -0.17 0.00 -0.11 0.00 0.00 41.96 38.37 1wvz s TYR 10 CO 0.09 -0.45 1.20 -2.67 -1.11 0.00 0.00 175.55 172.60 1wvz n TRP 11 N 6.14 1.21 -0.10 2.71 4.27 -1.26 0.06 117.44 130.47 1wvz n TRP 11 Ca 0.07 0.74 -0.15 0.00 -3.89 0.00 0.00 57.50 54.27 1wvz n TRP 11 Cb 0.47 -2.26 -0.09 0.00 -1.36 0.00 0.00 31.31 28.08 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 1.88 1.12 -4.01 -1.67 -1.04 -1.01 -4.77 114.28 104.77 1wvz n THR 12 Ca 0.17 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.05 61.43 1wvz n THR 12 Cb 0.19 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 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 -6.04 6.03 -0.06 8.00 -0.87 -1.26 -5.08 114.94 115.67 1wvz s ASN 13 Ca -0.27 0.31 -0.29 0.00 -1.57 0.00 0.00 52.86 51.04 1wvz s ASN 13 Cb 0.07 -1.85 -0.02 0.00 -0.02 0.00 0.00 41.25 39.43 1wvz s ASN 13 CO 0.43 0.33 0.94 0.42 -2.57 0.00 0.00 177.10 176.66 1wvz s THR 14 N -1.13 4.86 -0.90 1.60 -4.23 -1.26 -4.83 115.64 109.76 1wvz s THR 14 Ca 0.20 1.94 0.24 0.00 -1.18 0.00 0.00 61.69 62.89 1wvz s THR 14 Cb -0.12 -4.27 0.21 0.00 1.34 0.00 0.00 72.50 69.66 1wvz s THR 14 CO 0.10 0.11 1.75 -0.62 -0.54 0.00 0.00 174.62 175.42 1wvz n GLU 15 N 4.36 0.06 0.03 3.99 4.71 -1.26 -2.70 120.64 129.83 1wvz n GLU 15 Ca 0.06 0.15 0.10 0.00 -0.01 0.00 0.00 57.16 57.46 1wvz n GLU 15 Cb 0.50 -1.59 0.42 0.00 -1.01 0.00 0.00 31.44 29.76 1wvz n GLU 15 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1wvz n LYS 16 N -1.70 0.05 0.05 3.49 5.02 -1.26 -2.32 118.16 121.49 1wvz n LYS 16 Ca 0.05 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 1wvz n LYS 16 Cb 0.29 -1.59 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1wvz n LYS 16 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1wvz n MET 17 N -1.68 0.34 0.00 1.97 2.81 -1.10 -4.93 117.12 114.54 1wvz n MET 17 Ca 0.04 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1wvz n MET 17 Cb 0.24 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.14 0.00 0.00 0.03 0.28 -0.98 -5.03 120.64 112.81 1wvz n GLU 18 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1wvz n GLU 18 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 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 -0.75 3.44 0.00 -1.16 -1.98 118.16 117.70 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 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 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 0.00 1.75 -3.48 1.64 1.85 -1.17 -4.72 116.66 112.53 1wvz n ARG 20 Ca 0.00 -1.45 -0.43 0.00 -1.00 0.00 0.00 57.85 54.98 1wvz n ARG 20 Cb 0.00 -2.51 -0.05 0.00 -1.05 0.00 0.00 32.46 28.85 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1wvz s LEU 21 N 0.31 6.10 0.61 2.89 0.20 -0.47 -4.40 118.68 123.92 1wvz s LEU 21 Ca 0.40 -2.56 0.27 0.00 0.69 0.00 0.00 54.13 52.93 1wvz s LEU 21 Cb 0.10 -2.07 1.35 0.00 -0.43 0.00 0.00 46.19 45.14 1wvz s LEU 21 CO 0.01 -0.55 1.77 1.12 -0.29 0.00 0.00 176.35 178.40 1wvz h HIS 22 N 7.73 0.00 -3.38 5.38 2.07 0.78 -3.31 115.15 124.43 1wvz h HIS 22 Ca -0.01 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 1wvz h HIS 22 Cb 1.02 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.89 1wvz h HIS 22 CO 0.86 0.00 0.64 0.00 -3.07 0.00 0.00 177.93 176.35 1wvz s ALA 23 N -4.44 3.16 -0.01 6.11 0.00 -1.26 0.97 121.76 126.29 1wvz s ALA 23 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1wvz s ALA 23 Cb 0.13 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1wvz s ALA 23 CO 0.44 -2.31 -0.03 0.08 0.00 0.00 0.00 175.76 173.95 1wvz s VAL 24 N 4.03 0.30 0.10 0.00 1.01 0.77 -4.84 120.40 121.77 1wvz s VAL 24 Ca 0.35 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1wvz s VAL 24 Cb -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 1wvz s VAL 24 CO 0.23 0.11 1.37 -2.16 0.00 0.00 0.00 175.10 174.65 1wvz s PRO 25 N 0.24 4.33 0.36 2.72 0.04 -1.26 0.16 135.00 141.59 1wvz s PRO 25 Ca -0.02 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 1wvz s PRO 25 Cb -0.05 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 1wvz s PRO 25 CO -0.00 -0.43 1.17 0.00 0.04 0.00 0.00 177.00 177.78 1wvz s ALA 26 N 1.22 3.27 -1.95 8.56 0.00 -0.12 -2.80 121.76 129.94 1wvz s ALA 26 Ca 0.64 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1wvz s ALA 26 Cb -0.36 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1wvz s ALA 26 CO 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 175.61 1wvz n ALA 27 N 0.46 -0.46 -2.55 0.00 0.00 -1.26 -4.97 120.51 111.73 1wvz n ALA 27 Ca 0.02 0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.45 1wvz n ALA 27 Cb 0.45 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 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 -2.42 3.40 0.38 0.00 -0.87 -1.12 -4.87 114.94 109.44 1wvz s ASN 28 Ca 0.00 -1.33 -0.24 0.00 -1.57 0.00 0.00 52.86 49.72 1wvz s ASN 28 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.25 40.83 1wvz s ASN 28 CO 0.00 -0.45 0.97 0.42 -2.57 0.00 0.00 177.10 175.47 1wvz s THR 29 N -2.86 4.19 -0.12 1.60 -4.23 -1.26 -3.81 115.64 109.15 1wvz s THR 29 Ca 0.35 1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 62.43 1wvz s THR 29 Cb 0.08 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1wvz s THR 29 CO 0.17 -0.05 0.02 -0.69 -0.54 0.00 0.00 174.62 173.53 1wvz s VAL 30 N -1.83 4.49 -0.28 2.29 1.01 0.26 -4.88 120.40 121.47 1wvz s VAL 30 Ca 0.56 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1wvz s VAL 30 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1wvz s VAL 30 CO 0.20 0.56 0.73 -0.75 0.00 0.00 0.00 175.10 175.85 1wvz s LYS 31 N -0.49 4.05 -0.23 2.72 2.36 -1.26 -2.00 119.74 124.89 1wvz s LYS 31 Ca 0.09 0.62 -0.03 0.00 -2.55 0.00 0.00 55.97 54.10 1wvz s LYS 31 Cb -0.12 -3.68 0.00 0.00 -1.05 0.00 0.00 37.83 32.98 1wvz s LYS 31 CO 0.02 -0.55 -0.06 0.12 1.55 0.00 0.00 175.35 176.44 1wvz s PHE 32 N 2.75 2.97 -0.06 4.03 5.36 -0.54 -4.84 117.98 127.65 1wvz s PHE 32 Ca 0.30 -1.17 0.05 0.00 -0.96 0.00 0.00 56.93 55.15 1wvz s PHE 32 Cb -0.15 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1wvz s PHE 32 CO 0.10 -0.62 -0.21 1.03 -1.46 0.00 0.00 175.22 174.05 1wvz s ARG 33 N 1.42 2.55 -0.40 10.12 1.81 -1.26 -1.02 118.95 132.17 1wvz s ARG 33 Ca 0.04 -0.83 0.10 0.00 -1.72 0.00 0.00 55.73 53.32 1wvz s ARG 33 Cb -0.15 -2.25 0.38 0.00 -0.45 0.00 0.00 34.95 32.49 1wvz s ARG 33 CO -0.04 0.46 1.19 0.00 -0.68 0.00 0.00 175.30 176.23 1wvz s PRO 35 N -0.49 4.40 -0.24 0.00 0.04 -1.06 -4.34 135.00 133.32 1wvz s PRO 35 Ca 0.24 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1wvz s PRO 35 Cb 0.38 -3.33 0.10 0.00 0.04 0.00 0.00 34.50 31.68 1wvz s PRO 35 CO -0.06 -0.30 0.54 0.00 0.04 0.00 0.00 177.00 177.22 1wvz s ALA 36 N 1.10 -1.56 0.05 8.56 0.00 -1.26 -2.41 121.76 126.25 1wvz s ALA 36 Ca 0.60 1.95 -0.31 0.00 0.00 0.00 0.00 51.96 54.21 1wvz s ALA 36 Cb -0.31 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1wvz s ALA 36 CO 0.29 -0.65 1.38 0.20 0.00 0.00 0.00 175.76 176.98 1wvz s GLY 37 N 2.30 1.96 0.00 0.00 0.00 0.11 -4.44 107.32 107.25 1wvz s GLY 37 Ca -0.06 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1wvz s GLY 37 CO -0.16 2.40 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1wvz n GLY 38 N 3.55 2.11 3.25 0.20 0.00 -1.26 0.13 105.19 113.16 1wvz n GLY 38 Ca 0.12 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1wvz n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wvz n ASN 39 N 0.00 0.30 -1.12 1.61 4.05 -1.11 -4.97 115.26 114.02 1wvz n ASN 39 Ca 0.00 -1.52 0.04 0.00 0.45 0.00 0.00 54.58 53.55 1wvz n ASN 39 Cb 0.00 -0.79 0.19 0.00 1.23 0.00 0.00 39.78 40.41 1wvz n ASN 39 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1wvz n PRO 40 N -3.21 2.78 -3.50 1.20 -0.04 -1.26 -4.55 135.00 126.42 1wvz n PRO 40 Ca 0.14 -1.51 -0.27 0.00 -0.04 0.00 0.00 63.50 61.82 1wvz n PRO 40 Cb 0.49 -1.80 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.34 2.02 -3.38 0.54 1.56 -1.24 -5.03 117.12 111.92 1wvz n MET 41 Ca 0.13 -4.37 -0.38 0.00 -0.27 0.00 0.00 57.70 52.81 1wvz n MET 41 Cb 0.66 -2.10 -0.08 0.00 2.15 0.00 0.00 33.22 33.85 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 -1.96 4.15 -0.31 2.12 0.04 -1.26 -4.60 135.00 133.18 1wvz s PRO 42 Ca 0.35 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.60 1wvz s PRO 42 Cb 0.10 -3.56 0.09 0.00 0.04 0.00 0.00 34.50 31.17 1wvz s PRO 42 CO -0.07 -0.09 0.02 0.99 0.04 0.00 0.00 177.00 177.89 1wvz s THR 43 N 1.47 1.94 0.14 1.26 2.01 -0.95 -4.99 115.64 116.51 1wvz s THR 43 Ca 0.18 -1.93 0.10 0.00 0.31 0.00 0.00 61.69 60.36 1wvz s THR 43 Cb -0.15 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1wvz s THR 43 CO 0.08 -0.45 -0.25 0.00 -0.69 0.00 0.00 174.62 173.32 1wvz s MET 44 N 1.11 1.35 -0.00 4.92 0.23 -1.26 0.19 119.30 125.83 1wvz s MET 44 Ca 0.05 -1.34 0.03 0.00 -1.03 0.00 0.00 55.69 53.40 1wvz s MET 44 Cb -0.19 -1.74 -0.03 0.00 -1.53 0.00 0.00 34.83 31.34 1wvz s MET 44 CO -0.10 0.40 -0.06 1.03 -2.03 0.00 0.00 175.02 174.26 1wvz s ARG 45 N -2.18 2.60 -0.28 3.16 1.81 0.42 -4.91 118.95 119.58 1wvz s ARG 45 Ca 0.14 -0.69 -0.14 0.00 -1.72 0.00 0.00 55.73 53.32 1wvz s ARG 45 Cb -0.09 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 1wvz s ARG 45 CO 0.06 0.61 0.32 -1.58 -0.68 0.00 0.00 175.30 174.04 1wvz s TRP 46 N -0.99 3.24 -0.08 -0.53 0.51 -1.26 -2.40 118.94 117.43 1wvz s TRP 46 Ca 0.17 0.29 -0.00 0.00 -2.12 0.00 0.00 56.10 54.44 1wvz s TRP 46 Cb -0.11 -2.53 0.02 0.00 -0.81 0.00 0.00 33.47 30.04 1wvz s TRP 46 CO 0.07 -0.23 -0.04 -1.17 -0.51 0.00 0.00 176.95 175.08 1wvz s LEU 47 N 1.98 0.99 -0.18 2.99 1.98 -1.04 -2.48 118.68 122.93 1wvz s LEU 47 Ca 0.12 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 1wvz s LEU 47 Cb -0.16 -0.57 0.04 0.00 0.66 0.00 0.00 46.19 46.16 1wvz s LEU 47 CO 0.10 -0.13 -0.09 -1.59 -1.89 0.00 0.00 176.35 172.76 1wvz s LYS 48 N 1.57 1.84 -1.06 1.98 -2.85 0.35 0.55 119.74 122.12 1wvz s LYS 48 Ca -0.00 -0.69 -0.09 0.00 -1.00 0.00 0.00 55.97 54.20 1wvz s LYS 48 Cb -0.13 -2.22 0.08 0.00 -2.06 0.00 0.00 37.83 33.49 1wvz s LYS 48 CO -0.04 -0.41 0.34 -1.71 0.10 0.00 0.00 175.35 173.63 1wvz n ASN 49 N 4.77 -2.76 0.00 0.03 5.15 0.64 0.12 115.26 123.21 1wvz n ASN 49 Ca -0.14 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1wvz n ASN 49 Cb 0.47 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.38 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 -0.96 0.56 3.85 8.20 0.00 -1.26 -5.06 105.19 110.53 1wvz n GLY 50 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.83 3.34 0.01 1.61 2.20 0.33 -5.11 119.74 121.30 1wvz s LYS 51 Ca 0.00 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1wvz s LYS 51 Cb 0.00 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1wvz s LYS 51 CO 0.00 0.73 -0.02 -1.83 -0.36 0.00 0.00 175.35 173.88 1wvz s GLU 52 N -1.28 2.69 -0.03 4.03 1.03 -1.26 0.13 118.70 124.01 1wvz s GLU 52 Ca 0.18 -0.67 0.00 0.00 0.03 0.00 0.00 54.97 54.51 1wvz s GLU 52 Cb -0.12 -2.61 0.03 0.00 -0.80 0.00 0.00 34.13 30.63 1wvz s GLU 52 CO 0.08 0.61 -0.00 0.12 -1.33 0.00 0.00 175.26 174.73 1wvz s PHE 53 N -1.09 0.37 0.19 4.83 5.36 -1.03 -4.99 117.98 121.61 1wvz s PHE 53 Ca 0.20 -0.02 -0.22 0.00 -0.96 0.00 0.00 56.93 55.93 1wvz s PHE 53 Cb -0.11 -0.45 -0.08 0.00 -0.34 0.00 0.00 43.02 42.04 1wvz s PHE 53 CO 0.11 -0.14 0.73 0.15 -1.46 0.00 0.00 175.22 174.61 1wvz s LYS 54 N 1.05 4.37 0.58 10.12 3.01 -1.25 -4.41 119.74 133.22 1wvz s LYS 54 Ca -0.09 0.98 0.33 0.00 -1.01 0.00 0.00 55.97 56.17 1wvz s LYS 54 Cb -0.14 -3.05 1.80 0.00 -1.01 0.00 0.00 37.83 35.43 1wvz s LYS 54 CO -0.02 0.48 2.20 -0.56 0.51 0.00 0.00 175.35 177.96 1wvz h GLN 55 N 3.85 0.00 -0.00 1.68 3.07 -2.00 0.49 115.11 122.19 1wvz h GLN 55 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1wvz h GLN 55 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1wvz h GLN 55 CO 0.65 0.05 -0.06 0.39 0.09 0.00 0.00 178.83 179.95 1wvz n GLU 56 N -3.53 0.90 -3.66 0.06 -0.58 -1.26 -4.72 120.64 107.85 1wvz n GLU 56 Ca -0.02 -0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.29 1wvz n GLU 56 Cb 0.15 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 29.38 1wvz n GLU 56 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wvz s HIS 57 N -2.29 -0.23 -0.05 -0.32 2.46 0.16 -5.08 115.29 109.95 1wvz s HIS 57 Ca 0.35 0.66 -0.23 0.00 0.47 0.00 0.00 55.06 56.31 1wvz s HIS 57 Cb 0.21 -0.22 0.05 0.00 -0.13 0.00 0.00 32.58 32.48 1wvz s HIS 57 CO 0.42 -0.31 0.50 0.50 -2.47 0.00 0.00 174.74 173.39 1wvz s ARG 58 N 2.32 0.84 -0.78 2.88 3.52 -1.26 -3.94 118.95 122.53 1wvz s ARG 58 Ca 0.03 0.09 -0.25 0.00 -0.13 0.00 0.00 55.73 55.47 1wvz s ARG 58 Cb -0.12 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 1wvz s ARG 58 CO -0.07 -0.24 1.77 0.42 -0.81 0.00 0.00 175.30 176.38 1wvz s ILE 59 N -1.13 3.50 0.00 4.11 -1.09 -1.21 -2.48 121.20 122.90 1wvz s ILE 59 Ca -0.11 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1wvz s ILE 59 Cb -0.03 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1wvz s ILE 59 CO 0.07 -1.16 0.00 0.61 -1.23 0.00 0.00 174.94 173.23 1wvz n GLY 60 N 6.23 1.30 0.00 6.18 0.00 -1.26 -3.98 105.19 113.66 1wvz n GLY 60 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.09 1.92 3.08 -0.02 0.00 -1.03 -4.96 105.19 103.09 1wvz n GLY 61 Ca 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.59 0.23 -0.16 1.61 1.13 -1.26 -3.75 117.35 113.56 1wvz s TYR 62 Ca 0.00 -0.53 -0.13 0.00 -1.41 0.00 0.00 57.07 55.00 1wvz s TYR 62 Cb 0.00 -0.17 0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1wvz s TYR 62 CO 0.00 -0.31 0.41 0.15 -2.51 0.00 0.00 175.55 173.29 1wvz s LYS 63 N -2.31 0.46 -0.01 -3.49 -0.14 -0.77 -5.02 119.74 108.46 1wvz s LYS 63 Ca -0.08 0.62 0.01 0.00 -1.36 0.00 0.00 55.97 55.16 1wvz s LYS 63 Cb -0.03 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.30 1wvz s LYS 63 CO -0.03 -0.08 -0.02 0.54 -0.76 0.00 0.00 175.35 175.00 1wvz s VAL 64 N 0.50 0.18 -0.34 3.17 0.11 -1.26 0.21 120.40 122.97 1wvz s VAL 64 Ca -0.02 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 1wvz s VAL 64 Cb -0.04 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1wvz s VAL 64 CO -0.03 0.08 1.05 -0.60 -3.33 0.00 0.00 175.10 172.28 1wvz s ARG 65 N 0.23 4.01 0.36 1.54 3.52 -0.13 -4.69 118.95 123.79 1wvz s ARG 65 Ca -0.02 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 1wvz s ARG 65 Cb -0.04 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1wvz s ARG 65 CO -0.01 -0.94 0.00 0.09 -0.81 0.00 0.00 175.30 173.64 1wvz n ASN 66 N 6.91 0.00 0.00 -2.12 3.02 -1.26 -3.36 115.26 118.45 1wvz n ASN 66 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1wvz n ASN 66 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1wvz n GLN 67 N 0.00 0.00 -3.61 3.52 7.27 -1.26 -5.11 117.38 118.19 1wvz n GLN 67 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 1wvz n GLN 67 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 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 -0.97 -0.10 0.00 3.69 -3.43 -1.21 -4.96 115.29 108.30 1wvz s HIS 68 Ca 0.00 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 1wvz s HIS 68 Cb 0.00 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 1wvz s HIS 68 CO 0.00 -0.40 0.00 0.91 -2.00 0.00 0.00 174.74 173.25 1wvz n TRP 69 N 5.31 0.00 -4.04 0.38 8.01 -1.26 -4.81 117.44 121.03 1wvz n TRP 69 Ca -0.05 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.02 1wvz n TRP 69 Cb 0.50 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.68 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1wvz s SER 70 N -2.23 0.61 -0.04 -0.99 1.04 -1.26 -1.96 113.70 108.86 1wvz s SER 70 Ca 0.00 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1wvz s SER 70 Cb 0.00 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1wvz s SER 70 CO 0.00 -0.18 0.11 -1.48 0.98 0.00 0.00 173.24 172.67 1wvz s LEU 71 N -1.27 1.50 -0.22 2.42 2.34 -0.19 -0.96 118.68 122.30 1wvz s LEU 71 Ca -0.09 0.23 -0.06 0.00 0.06 0.00 0.00 54.13 54.26 1wvz s LEU 71 Cb -0.08 0.37 -0.02 0.00 -0.56 0.00 0.00 46.19 45.89 1wvz s LEU 71 CO -0.00 -0.05 0.01 -0.51 -1.06 0.00 0.00 176.35 174.74 1wvz s ILE 72 N 0.17 3.93 -0.01 1.48 2.07 0.13 -1.47 121.20 127.50 1wvz s ILE 72 Ca -0.01 -0.31 0.08 0.00 -1.41 0.00 0.00 60.65 59.00 1wvz s ILE 72 Cb -0.02 -2.80 -0.02 0.00 0.13 0.00 0.00 42.46 39.75 1wvz s ILE 72 CO -0.00 0.39 -0.25 0.00 -1.91 0.00 0.00 174.94 173.17 1wvz s MET 73 N 1.35 2.03 -0.26 3.50 0.23 -0.85 -1.85 119.30 123.45 1wvz s MET 73 Ca 0.04 -0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 53.69 1wvz s MET 73 Cb -0.15 -1.98 -0.04 0.00 -1.53 0.00 0.00 34.83 31.14 1wvz s MET 73 CO 0.01 0.54 0.11 -2.00 -2.03 0.00 0.00 175.02 171.65 1wvz s GLU 74 N -0.66 3.76 -0.34 3.16 2.12 -1.25 0.92 118.70 126.42 1wvz s GLU 74 Ca 0.10 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.00 1wvz s GLU 74 Cb -0.10 -3.43 0.11 0.00 0.26 0.00 0.00 34.13 30.97 1wvz s GLU 74 CO -0.01 -0.18 0.13 -1.54 -0.54 0.00 0.00 175.26 173.13 1wvz s SER 75 N 1.63 3.90 -0.13 -1.70 1.04 -1.25 -3.32 113.70 113.88 1wvz s SER 75 Ca 0.06 -1.86 -0.22 0.00 0.48 0.00 0.00 55.95 54.42 1wvz s SER 75 Cb -0.15 -0.87 -0.25 0.00 0.10 0.00 0.00 66.02 64.84 1wvz s SER 75 CO 0.06 -0.38 0.58 1.62 0.98 0.00 0.00 173.24 176.09 1wvz h VAL 76 N 6.17 1.29 0.06 5.02 3.04 -1.82 -3.30 116.25 126.71 1wvz h VAL 76 Ca -0.10 -2.35 -0.32 0.00 -1.01 0.00 0.00 66.70 62.92 1wvz h VAL 76 Cb 0.99 2.85 -0.03 0.00 -2.01 0.00 0.00 31.29 33.10 1wvz h VAL 76 CO 0.46 0.58 -1.78 0.52 -1.01 0.00 0.00 177.57 176.34 1wvz n VAL 77 N -4.28 1.66 0.14 1.51 0.31 -1.26 -4.11 118.33 112.29 1wvz n VAL 77 Ca -0.21 -0.40 0.06 0.00 -0.01 0.00 0.00 64.34 63.78 1wvz n VAL 77 Cb 0.71 -1.84 0.31 0.00 -0.91 0.00 0.00 33.84 32.11 1wvz n VAL 77 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wvz n PRO 78 N -3.88 0.07 0.20 5.55 -0.02 -1.26 -2.53 135.00 133.13 1wvz n PRO 78 Ca -0.34 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 61.84 1wvz n PRO 78 Cb 0.90 -1.72 0.74 0.00 -0.02 0.00 0.00 33.50 33.40 1wvz n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wvz h SER 79 N 0.00 0.00 -0.81 2.55 0.87 -1.71 -1.98 113.55 112.47 1wvz h SER 79 Ca 0.00 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.73 1wvz h SER 79 Cb 0.05 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.86 1wvz h SER 79 CO 0.00 0.00 -0.14 0.44 -0.53 0.00 0.00 176.83 176.60 1wvz h ASP 80 N 0.00 -0.64 -3.57 6.23 5.19 -1.79 -3.31 116.42 118.53 1wvz h ASP 80 Ca 0.11 0.23 -0.67 0.00 -0.62 0.00 0.00 57.03 56.09 1wvz h ASP 80 Cb 0.99 0.46 -0.16 0.00 0.18 0.00 0.00 39.33 40.79 1wvz h ASP 80 CO -0.00 -0.25 -0.02 -1.59 -3.12 0.00 0.00 179.24 174.25 1wvz s LYS 81 N -6.20 3.27 -0.10 3.56 -2.85 -0.75 -4.93 119.74 111.75 1wvz s LYS 81 Ca -0.14 -0.48 0.16 0.00 -1.00 0.00 0.00 55.97 54.51 1wvz s LYS 81 Cb 0.23 -3.93 0.63 0.00 -2.06 0.00 0.00 37.83 32.70 1wvz s LYS 81 CO 0.76 -0.89 1.52 0.41 0.10 0.00 0.00 175.35 177.24 1wvz n GLY 82 N 5.02 2.35 3.52 0.59 0.00 -1.25 -4.86 105.19 110.58 1wvz n GLY 82 Ca -0.04 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.84 6.33 -0.17 1.61 2.47 -1.25 -1.56 114.94 121.52 1wvz s ASN 83 Ca 0.45 -0.28 -0.09 0.00 0.42 0.00 0.00 52.86 53.36 1wvz s ASN 83 Cb 0.29 -2.31 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 1wvz s ASN 83 CO 0.22 -0.72 0.12 -0.31 -3.72 0.00 0.00 177.10 172.69 1wvz s TYR 84 N 2.73 3.44 -0.15 0.43 1.51 -1.03 -0.26 117.35 124.02 1wvz s TYR 84 Ca 0.22 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.64 1wvz s TYR 84 Cb -0.14 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1wvz s TYR 84 CO 0.18 0.41 -0.16 0.99 -1.11 0.00 0.00 175.55 175.85 1wvz s THR 85 N -0.07 1.70 -0.43 -0.71 2.01 0.19 0.05 115.64 118.38 1wvz s THR 85 Ca 0.10 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1wvz s THR 85 Cb -0.11 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.86 1wvz s THR 85 CO 0.00 0.48 0.33 0.00 -0.69 0.00 0.00 174.62 174.74 1wvz s VAL 87 N 1.67 4.03 -0.35 0.00 1.01 -1.01 -1.27 120.40 124.48 1wvz s VAL 87 Ca 0.05 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 1wvz s VAL 87 Cb -0.21 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1wvz s VAL 87 CO 0.09 -0.53 0.20 -0.69 0.00 0.00 0.00 175.10 174.18 1wvz s VAL 88 N 1.37 4.80 0.15 2.92 1.01 -0.96 0.16 120.40 129.86 1wvz s VAL 88 Ca 0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1wvz s VAL 88 Cb -0.23 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1wvz s VAL 88 CO 0.01 -0.09 0.22 -0.70 0.00 0.00 0.00 175.10 174.54 1wvz s GLU 89 N 1.62 3.22 0.24 2.72 -6.30 0.49 -1.93 118.70 118.77 1wvz s GLU 89 Ca 0.04 -0.70 -0.03 0.00 -2.50 0.00 0.00 54.97 51.78 1wvz s GLU 89 Cb -0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 34.13 31.09 1wvz s GLU 89 CO 0.08 0.51 0.26 0.54 0.02 0.00 0.00 175.26 176.67 1wvz s ASN 90 N -3.15 0.35 0.37 -1.70 4.22 0.30 -2.23 114.94 113.10 1wvz s ASN 90 Ca 0.33 -1.34 0.26 0.00 -2.14 0.00 0.00 52.86 49.98 1wvz s ASN 90 Cb -0.11 0.48 1.32 0.00 1.28 0.00 0.00 41.25 44.22 1wvz s ASN 90 CO 0.26 -0.98 1.80 -0.08 -2.04 0.00 0.00 177.10 176.06 1wvz h GLU 91 N 2.43 0.00 -0.01 3.55 4.57 -1.88 -2.01 114.58 121.22 1wvz h GLU 91 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1wvz h GLU 91 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1wvz h GLU 91 CO 0.45 0.00 -0.13 0.66 -1.18 0.00 0.00 179.01 178.81 1wvz n TYR 92 N -2.43 0.00 0.00 0.92 4.01 -1.26 -5.08 117.16 113.31 1wvz n TYR 92 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1wvz n TYR 92 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wvz n GLY 93 N 0.94 2.09 3.09 2.72 0.00 -0.76 -5.09 105.19 108.18 1wvz n GLY 93 Ca 0.07 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 1.60 0.18 1.61 1.04 -1.26 0.11 113.70 116.98 1wvz s SER 94 Ca 0.00 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.28 1wvz s SER 94 Cb 0.00 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1wvz s SER 94 CO 0.00 0.16 -0.20 -0.63 0.98 0.00 0.00 173.24 173.55 1wvz s ILE 95 N -0.25 2.03 -0.04 -1.02 1.01 -0.81 -4.98 121.20 117.13 1wvz s ILE 95 Ca 0.04 -1.99 0.05 0.00 0.00 0.00 0.00 60.65 58.75 1wvz s ILE 95 Cb -0.06 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1wvz s ILE 95 CO -0.00 -0.27 -0.21 0.20 0.00 0.00 0.00 174.94 174.66 1wvz s ASN 96 N -2.74 2.59 -0.02 3.58 0.01 -1.26 -2.26 114.94 114.85 1wvz s ASN 96 Ca 0.18 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1wvz s ASN 96 Cb -0.06 -0.63 0.01 0.00 0.41 0.00 0.00 41.25 40.97 1wvz s ASN 96 CO 0.08 0.21 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.84 1wvz s HIS 97 N -0.15 0.50 0.06 2.20 3.76 -0.40 -4.99 115.29 116.28 1wvz s HIS 97 Ca -0.01 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1wvz s HIS 97 Cb -0.12 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 1wvz s HIS 97 CO 0.02 -0.07 -0.18 -0.08 -0.85 0.00 0.00 174.74 173.58 1wvz s THR 98 N 0.34 2.80 -0.00 1.30 -1.32 -1.26 0.97 115.64 118.46 1wvz s THR 98 Ca -0.04 -1.27 0.01 0.00 -1.21 0.00 0.00 61.69 59.19 1wvz s THR 98 Cb -0.07 -2.21 -0.00 0.00 -1.51 0.00 0.00 72.50 68.71 1wvz s THR 98 CO -0.00 0.27 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.33 1wvz s TYR 99 N -0.98 0.35 -0.65 9.09 1.51 0.11 -4.94 117.35 121.83 1wvz s TYR 99 Ca 0.15 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.86 1wvz s TYR 99 Cb -0.11 -0.23 0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1wvz s TYR 99 CO 0.07 -0.01 1.19 -1.01 -1.11 0.00 0.00 175.55 174.68 1wvz s HIS 100 N -0.15 2.48 -0.03 2.71 3.76 -1.26 -2.46 115.29 120.34 1wvz s HIS 100 Ca 0.01 0.11 0.06 0.00 -0.15 0.00 0.00 55.06 55.09 1wvz s HIS 100 Cb -0.02 -4.51 -0.01 0.00 1.11 0.00 0.00 32.58 29.15 1wvz s HIS 100 CO -0.00 -1.79 -0.21 -0.51 -0.85 0.00 0.00 174.74 171.38 1wvz s LEU 101 N 5.15 2.01 0.03 0.89 1.02 -0.60 0.13 118.68 127.32 1wvz s LEU 101 Ca 0.37 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.14 1wvz s LEU 101 Cb -0.09 -1.11 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 1wvz s LEU 101 CO 0.19 0.23 -0.06 -0.62 0.02 0.00 0.00 176.35 176.11 1wvz s ASP 102 N -0.28 0.67 0.01 2.29 -1.08 0.27 -3.94 116.67 114.60 1wvz s ASP 102 Ca 0.03 -0.52 -0.26 0.00 -0.52 0.00 0.00 52.55 51.28 1wvz s ASP 102 Cb -0.10 0.05 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 1wvz s ASP 102 CO 0.01 -0.22 0.80 -0.69 0.52 0.00 0.00 175.17 175.59 1wvz s VAL 103 N -1.37 4.84 0.00 1.11 1.01 -1.26 -0.16 120.40 124.58 1wvz s VAL 103 Ca -0.11 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1wvz s VAL 103 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wvz s VAL 103 CO -0.00 0.28 0.26 1.33 0.00 0.00 0.00 175.10 176.97