#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 -4.73 1.20 4.13 -1.26 -5.09 115.26 109.52 1wvz n ASN 5 Ca 0.00 -0.04 -0.37 0.00 1.68 0.00 0.00 54.58 55.85 1wvz n ASN 5 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1wvz s LYS 6 N 0.87 4.29 -0.15 3.52 3.01 -1.26 -4.00 119.74 126.01 1wvz s LYS 6 Ca 0.00 0.22 -0.06 0.00 -1.01 0.00 0.00 55.97 55.12 1wvz s LYS 6 Cb 0.00 -3.43 0.07 0.00 -1.01 0.00 0.00 37.83 33.46 1wvz s LYS 6 CO 0.00 0.21 0.32 1.03 0.51 0.00 0.00 175.35 177.42 1wvz s ARG 7 N 0.53 0.22 -0.42 1.68 3.00 -1.26 -4.65 118.95 118.05 1wvz s ARG 7 Ca 0.20 0.84 -0.44 0.00 0.00 0.00 0.00 55.73 56.33 1wvz s ARG 7 Cb -0.14 0.09 -0.19 0.00 0.00 0.00 0.00 34.95 34.71 1wvz s ARG 7 CO 0.06 -0.26 1.46 0.00 0.00 0.00 0.00 175.30 176.56 1wvz n ALA 8 N 5.26 -1.56 -2.68 2.13 0.00 -1.26 -2.67 120.51 119.73 1wvz n ALA 8 Ca -0.09 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 1wvz n ALA 8 Cb 0.50 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 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 2.50 4.27 -0.12 0.00 0.04 -1.26 -4.66 135.00 135.77 1wvz s PRO 9 Ca 0.98 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1wvz s PRO 9 Cb -1.40 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 29.59 1wvz s PRO 9 CO 0.75 -0.11 0.85 0.71 0.04 0.00 0.00 177.00 179.24 1wvz s TYR 10 N 1.48 3.49 0.37 0.56 1.51 0.89 -4.69 117.35 120.97 1wvz s TYR 10 Ca 0.29 1.36 -0.26 0.00 -1.01 0.00 0.00 57.07 57.45 1wvz s TYR 10 Cb -0.16 -3.02 -0.12 0.00 -0.11 0.00 0.00 41.96 38.56 1wvz s TYR 10 CO 0.12 -0.15 1.15 -2.67 -1.11 0.00 0.00 175.55 172.88 1wvz n TRP 11 N 4.78 1.71 -0.07 2.71 4.27 -1.26 -1.25 117.44 128.33 1wvz n TRP 11 Ca 0.04 0.57 -0.07 0.00 -3.89 0.00 0.00 57.50 54.16 1wvz n TRP 11 Cb 0.49 -2.32 -0.02 0.00 -1.36 0.00 0.00 31.31 28.10 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 -0.06 1.31 -3.93 -1.67 -1.04 -1.02 -4.80 114.28 103.07 1wvz n THR 12 Ca 0.07 0.20 -0.36 0.00 -2.04 0.00 0.00 64.05 61.93 1wvz n THR 12 Cb 0.37 -2.27 -0.08 0.00 -1.82 0.00 0.00 70.33 66.54 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 -5.63 6.06 0.19 8.00 -0.87 -1.26 -5.07 114.94 116.37 1wvz s ASN 13 Ca -0.22 0.30 -0.31 0.00 -1.57 0.00 0.00 52.86 51.06 1wvz s ASN 13 Cb 0.03 -1.98 -0.10 0.00 -0.02 0.00 0.00 41.25 39.18 1wvz s ASN 13 CO 0.32 0.31 1.48 -0.89 -2.57 0.00 0.00 177.10 175.75 1wvz s THR 14 N -0.42 2.77 -0.78 1.60 2.01 -1.26 -4.69 115.64 114.87 1wvz s THR 14 Ca 0.11 0.59 0.26 0.00 0.31 0.00 0.00 61.69 62.96 1wvz s THR 14 Cb -0.12 -3.38 0.27 0.00 0.01 0.00 0.00 72.50 69.28 1wvz s THR 14 CO 0.02 0.07 1.80 -0.62 -0.69 0.00 0.00 174.62 175.19 1wvz n GLU 15 N 3.30 0.18 0.26 4.92 4.71 -1.26 -2.68 120.64 130.07 1wvz n GLU 15 Ca 0.10 0.18 0.16 0.00 -0.01 0.00 0.00 57.16 57.60 1wvz n GLU 15 Cb 0.40 -1.73 0.57 0.00 -1.01 0.00 0.00 31.44 29.68 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 -0.07 3.49 3.64 -1.93 -2.68 116.57 119.01 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 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1wvz h LYS 16 CO 0.00 0.00 -0.07 -1.33 -2.27 0.00 0.00 179.45 175.78 1wvz n MET 17 N -3.04 1.69 0.00 1.90 2.81 -1.09 -4.67 117.12 114.71 1wvz n MET 17 Ca 0.01 -2.77 -0.00 0.00 -1.81 0.00 0.00 57.70 53.14 1wvz n MET 17 Cb 0.35 -1.61 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.19 0.00 -3.15 0.03 4.07 -1.03 -5.00 120.64 114.37 1wvz n GLU 18 Ca 0.19 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.10 1wvz n GLU 18 Cb 0.72 -0.07 -0.06 0.00 -0.06 0.00 0.00 31.44 31.98 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 -2.60 0.39 0.00 5.31 3.00 -1.08 -5.05 118.16 118.13 1wvz n LYS 19 Ca -0.00 -2.77 0.00 0.00 -0.00 0.00 0.00 58.31 55.54 1wvz n LYS 19 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.49 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 2.60 0.00 -2.32 1.64 -4.01 -1.25 -4.69 116.66 108.63 1wvz n ARG 20 Ca 0.24 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.71 1wvz n ARG 20 Cb 0.52 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.90 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wvz s LEU 21 N 0.00 3.36 0.00 2.89 1.43 -1.13 -3.33 118.68 121.90 1wvz s LEU 21 Ca 0.00 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1wvz s LEU 21 Cb 0.00 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1wvz s LEU 21 CO 0.00 -2.08 0.02 1.41 0.23 0.00 0.00 176.35 175.93 1wvz n HIS 22 N 11.24 -0.02 -4.92 0.29 8.25 -1.04 -5.03 115.22 123.99 1wvz n HIS 22 Ca 0.38 -0.21 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 1wvz n HIS 22 Cb 0.49 0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.45 1wvz n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wvz s ALA 23 N -2.09 2.36 -0.24 -1.41 0.00 -1.26 -1.53 121.76 117.58 1wvz s ALA 23 Ca 0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1wvz s ALA 23 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1wvz s ALA 23 CO 0.02 0.19 0.14 0.08 0.00 0.00 0.00 175.76 176.18 1wvz s VAL 24 N 0.47 5.09 0.20 0.00 1.01 0.23 -4.89 120.40 122.52 1wvz s VAL 24 Ca -0.13 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1wvz s VAL 24 Cb -0.17 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1wvz s VAL 24 CO 0.05 0.35 1.16 -2.16 0.00 0.00 0.00 175.10 174.50 1wvz s PRO 25 N 1.16 4.53 0.28 2.72 0.04 -1.26 -1.39 135.00 141.08 1wvz s PRO 25 Ca 0.06 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1wvz s PRO 25 Cb -0.14 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1wvz s PRO 25 CO 0.05 -0.01 1.15 0.00 0.04 0.00 0.00 177.00 178.23 1wvz s ALA 26 N -0.32 3.43 -0.85 8.56 0.00 -0.78 -3.07 121.76 128.73 1wvz s ALA 26 Ca 0.50 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1wvz s ALA 26 Cb -0.32 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wvz s ALA 26 CO 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 175.76 175.86 1wvz n ALA 27 N 1.27 -0.16 -2.50 0.00 0.00 -1.17 -5.02 120.51 112.94 1wvz n ALA 27 Ca -0.00 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 1wvz n ALA 27 Cb 0.44 -1.14 -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 1.21 0.00 0.00 0.00 177.50 178.71 1wvz s ASN 28 N -2.84 3.11 0.22 0.00 2.47 -1.17 -4.84 114.94 111.88 1wvz s ASN 28 Ca 0.00 -1.27 -0.28 0.00 0.42 0.00 0.00 52.86 51.73 1wvz s ASN 28 Cb 0.00 -0.24 -0.09 0.00 -1.45 0.00 0.00 41.25 39.48 1wvz s ASN 28 CO 0.00 -0.39 0.88 0.42 -3.72 0.00 0.00 177.10 174.30 1wvz s THR 29 N -2.92 4.19 -0.23 -5.21 -4.23 -1.26 -3.33 115.64 102.64 1wvz s THR 29 Ca 0.33 1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 62.61 1wvz s THR 29 Cb 0.06 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 1wvz s THR 29 CO 0.15 0.47 0.37 -0.69 -0.54 0.00 0.00 174.62 174.38 1wvz s VAL 30 N -1.21 5.20 -0.27 2.29 1.01 0.17 -4.90 120.40 122.68 1wvz s VAL 30 Ca 0.40 0.61 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 1wvz s VAL 30 Cb -0.24 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1wvz s VAL 30 CO 0.29 0.23 0.67 -0.75 0.00 0.00 0.00 175.10 175.54 1wvz s LYS 31 N 1.56 4.04 -0.20 2.72 2.36 -1.26 -1.91 119.74 127.04 1wvz s LYS 31 Ca 0.16 0.52 -0.01 0.00 -2.55 0.00 0.00 55.97 54.10 1wvz s LYS 31 Cb -0.15 -3.68 0.01 0.00 -1.05 0.00 0.00 37.83 32.96 1wvz s LYS 31 CO 0.08 -0.50 -0.13 -0.06 1.55 0.00 0.00 175.35 176.29 1wvz s PHE 32 N 2.63 2.88 -0.17 4.03 0.08 0.00 -5.00 117.98 122.44 1wvz s PHE 32 Ca 0.28 -1.42 -0.05 0.00 0.12 0.00 0.00 56.93 55.86 1wvz s PHE 32 Cb -0.15 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1wvz s PHE 32 CO 0.10 -0.72 -0.00 1.03 -0.10 0.00 0.00 175.22 175.53 1wvz s ARG 33 N 1.35 3.78 -0.44 0.44 3.00 -1.26 0.32 118.95 126.15 1wvz s ARG 33 Ca 0.04 -0.45 0.08 0.00 0.00 0.00 0.00 55.73 55.40 1wvz s ARG 33 Cb -0.14 -3.03 0.33 0.00 0.00 0.00 0.00 34.95 32.12 1wvz s ARG 33 CO -0.09 0.25 1.04 0.00 0.00 0.00 0.00 175.30 176.50 1wvz s PRO 35 N -0.39 4.29 -0.18 0.00 0.04 -0.95 -4.49 135.00 133.32 1wvz s PRO 35 Ca 0.26 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 1wvz s PRO 35 Cb 0.31 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.74 1wvz s PRO 35 CO -0.06 -0.47 0.37 0.00 0.04 0.00 0.00 177.00 176.88 1wvz s ALA 36 N 0.89 -0.97 -0.11 8.56 0.00 -0.99 -2.44 121.76 126.70 1wvz s ALA 36 Ca 0.65 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.80 1wvz s ALA 36 Cb -0.40 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1wvz s ALA 36 CO 0.33 -0.69 0.35 0.20 0.00 0.00 0.00 175.76 175.95 1wvz s GLY 37 N 2.46 2.31 0.00 0.00 0.00 -0.38 -4.81 107.32 106.90 1wvz s GLY 37 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1wvz s GLY 37 CO -0.11 0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1wvz n GLY 38 N 2.85 -0.52 3.71 0.20 0.00 -1.26 -0.08 105.19 110.09 1wvz n GLY 38 Ca -0.12 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1wvz n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvz s ASN 39 N -4.00 3.35 0.00 1.61 2.20 -1.09 -4.95 114.94 112.05 1wvz s ASN 39 Ca 0.00 1.45 0.28 0.00 -0.94 0.00 0.00 52.86 53.65 1wvz s ASN 39 Cb 0.00 -2.13 1.10 0.00 -2.00 0.00 0.00 41.25 38.22 1wvz s ASN 39 CO 0.00 -2.71 1.79 -0.81 -2.94 0.00 0.00 177.10 172.42 1wvz n PRO 40 N -3.93 0.50 -3.58 3.55 -0.04 -1.26 -4.38 135.00 125.86 1wvz n PRO 40 Ca 0.07 -0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1wvz n PRO 40 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.09 2.42 -3.43 0.54 1.56 -1.26 -5.07 117.12 110.79 1wvz n MET 41 Ca 0.12 -4.59 -0.37 0.00 -0.27 0.00 0.00 57.70 52.58 1wvz n MET 41 Cb 0.30 -2.30 -0.06 0.00 2.15 0.00 0.00 33.22 33.31 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 -2.07 4.20 -0.35 2.12 0.04 -1.26 -4.69 135.00 132.99 1wvz s PRO 42 Ca 0.33 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 1wvz s PRO 42 Cb 0.06 -3.38 0.09 0.00 0.04 0.00 0.00 34.50 31.31 1wvz s PRO 42 CO -0.07 0.32 0.09 0.95 0.04 0.00 0.00 177.00 178.33 1wvz s THR 43 N 0.14 2.92 -0.02 1.26 -4.23 -0.06 -5.02 115.64 110.62 1wvz s THR 43 Ca 0.23 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1wvz s THR 43 Cb -0.15 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1wvz s THR 43 CO 0.09 -0.46 -0.03 0.00 -0.54 0.00 0.00 174.62 173.68 1wvz s MET 44 N 1.12 2.73 0.04 3.99 0.23 -1.26 0.16 119.30 126.31 1wvz s MET 44 Ca 0.04 -0.61 0.04 0.00 -1.03 0.00 0.00 55.69 54.13 1wvz s MET 44 Cb -0.21 -2.62 -0.04 0.00 -1.53 0.00 0.00 34.83 30.44 1wvz s MET 44 CO -0.04 0.63 -0.04 1.03 -2.03 0.00 0.00 175.02 174.57 1wvz s ARG 45 N -1.30 2.52 -0.22 3.16 0.52 0.29 -4.91 118.95 119.00 1wvz s ARG 45 Ca 0.17 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1wvz s ARG 45 Cb -0.11 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 1wvz s ARG 45 CO 0.07 0.57 -0.03 -1.58 0.02 0.00 0.00 175.30 174.35 1wvz s TRP 46 N -1.13 2.97 -0.09 -0.53 0.52 -1.26 -2.44 118.94 116.98 1wvz s TRP 46 Ca 0.20 -0.88 -0.00 0.00 0.02 0.00 0.00 56.10 55.45 1wvz s TRP 46 Cb -0.11 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.11 1wvz s TRP 46 CO 0.12 -0.52 -0.06 -1.17 0.02 0.00 0.00 176.95 175.34 1wvz s LEU 47 N 1.48 1.10 -0.21 2.99 0.20 -1.04 -2.56 118.68 120.64 1wvz s LEU 47 Ca 0.06 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1wvz s LEU 47 Cb -0.14 -0.68 0.03 0.00 -0.43 0.00 0.00 46.19 44.97 1wvz s LEU 47 CO -0.02 -0.11 -0.16 -1.59 -0.29 0.00 0.00 176.35 174.17 1wvz s LYS 48 N 1.54 2.81 -0.84 1.98 -2.85 0.43 0.86 119.74 123.68 1wvz s LYS 48 Ca 0.00 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 53.95 1wvz s LYS 48 Cb -0.13 -2.69 0.06 0.00 -2.06 0.00 0.00 37.83 33.01 1wvz s LYS 48 CO -0.05 -0.31 0.24 0.27 0.10 0.00 0.00 175.35 175.60 1wvz n ASN 49 N 4.58 -2.32 0.00 0.03 6.94 -0.10 0.16 115.26 124.56 1wvz n ASN 49 Ca -0.19 -0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 1wvz n ASN 49 Cb 0.48 -2.02 0.00 0.00 -2.36 0.00 0.00 39.78 35.88 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wvz n GLY 50 N -0.83 0.65 3.66 4.83 0.00 -1.26 -5.07 105.19 107.17 1wvz n GLY 50 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.12 0.03 1.61 2.36 0.42 -5.10 119.74 121.35 1wvz s LYS 51 Ca 0.00 -0.41 0.03 0.00 -2.55 0.00 0.00 55.97 53.03 1wvz s LYS 51 Cb 0.00 -2.83 -0.04 0.00 -1.05 0.00 0.00 37.83 33.91 1wvz s LYS 51 CO 0.00 0.63 -0.01 -1.21 1.55 0.00 0.00 175.35 176.31 1wvz s GLU 52 N -0.67 2.69 0.03 4.03 2.02 -1.26 0.16 118.70 125.70 1wvz s GLU 52 Ca 0.11 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1wvz s GLU 52 Cb -0.12 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1wvz s GLU 52 CO 0.02 0.60 -0.04 -0.59 0.02 0.00 0.00 175.26 175.27 1wvz s PHE 53 N -1.15 0.38 0.01 1.61 -0.12 -1.06 -4.99 117.98 112.66 1wvz s PHE 53 Ca 0.21 -0.56 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 1wvz s PHE 53 Cb -0.12 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1wvz s PHE 53 CO 0.13 -0.18 -0.08 0.15 -0.05 0.00 0.00 175.22 175.19 1wvz s LYS 54 N -1.67 2.48 0.59 1.99 1.02 -1.26 -4.40 119.74 118.50 1wvz s LYS 54 Ca -0.13 -0.76 0.39 0.00 0.02 0.00 0.00 55.97 55.49 1wvz s LYS 54 Cb -0.09 -2.46 2.10 0.00 -0.52 0.00 0.00 37.83 36.87 1wvz s LYS 54 CO -0.01 0.59 2.18 0.37 -0.92 0.00 0.00 175.35 177.56 1wvz h GLN 55 N 4.50 0.00 0.00 1.68 4.15 -2.01 -0.04 115.11 123.38 1wvz h GLN 55 Ca -0.48 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 1wvz h GLN 55 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1wvz h GLN 55 CO 0.53 0.00 -0.26 0.93 -1.93 0.00 0.00 178.83 178.10 1wvz h GLU 56 N 0.00 0.00 -3.44 1.69 4.39 -1.99 -3.43 114.58 111.80 1wvz h GLU 56 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1wvz h GLU 56 Cb 0.06 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.35 1wvz h GLU 56 CO 0.00 0.26 -0.74 -1.58 -1.16 0.00 0.00 179.01 175.79 1wvz s HIS 57 N -3.60 0.07 0.03 4.33 2.46 -0.03 -5.04 115.29 113.51 1wvz s HIS 57 Ca 0.01 0.18 -0.10 0.00 0.47 0.00 0.00 55.06 55.62 1wvz s HIS 57 Cb 0.10 -0.36 0.01 0.00 -0.13 0.00 0.00 32.58 32.19 1wvz s HIS 57 CO 0.65 -0.14 0.20 1.03 -2.47 0.00 0.00 174.74 174.01 1wvz s ARG 58 N 1.57 0.67 -0.73 2.88 1.81 -1.26 -4.09 118.95 119.81 1wvz s ARG 58 Ca -0.03 -0.58 -0.26 0.00 -1.72 0.00 0.00 55.73 53.15 1wvz s ARG 58 Cb -0.13 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.61 1wvz s ARG 58 CO -0.03 -0.19 2.00 0.42 -0.68 0.00 0.00 175.30 176.81 1wvz s ILE 59 N -2.38 3.32 0.00 1.52 -1.09 -1.24 -2.42 121.20 118.91 1wvz s ILE 59 Ca -0.06 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1wvz s ILE 59 Cb -0.02 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1wvz s ILE 59 CO -0.03 -0.76 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 1wvz n GLY 60 N 6.27 0.96 0.00 6.18 0.00 -1.26 -4.21 105.19 113.12 1wvz n GLY 60 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 3.62 2.83 -0.02 0.00 -1.01 -4.98 105.19 103.62 1wvz n GLY 61 Ca 0.00 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.05 0.67 -0.14 1.61 -0.85 -1.26 -3.68 117.35 111.64 1wvz s TYR 62 Ca 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 1wvz s TYR 62 Cb 0.00 -0.71 0.02 0.00 0.38 0.00 0.00 41.96 41.66 1wvz s TYR 62 CO 0.00 -0.25 -0.14 0.15 -1.52 0.00 0.00 175.55 173.78 1wvz s LYS 63 N 1.44 2.30 -0.01 -3.49 3.01 -0.87 -5.07 119.74 117.06 1wvz s LYS 63 Ca -0.03 -0.56 0.01 0.00 -1.01 0.00 0.00 55.97 54.37 1wvz s LYS 63 Cb -0.13 -2.09 0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1wvz s LYS 63 CO -0.03 -0.22 -0.02 0.54 0.51 0.00 0.00 175.35 176.13 1wvz s VAL 64 N 1.43 0.18 -0.21 3.17 0.11 -1.26 -0.52 120.40 123.30 1wvz s VAL 64 Ca 0.04 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 1wvz s VAL 64 Cb -0.13 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1wvz s VAL 64 CO -0.10 0.07 1.60 -0.13 -3.33 0.00 0.00 175.10 173.21 1wvz s ARG 65 N 0.11 3.84 -0.87 1.54 1.81 -1.03 -4.87 118.95 119.48 1wvz s ARG 65 Ca -0.01 1.69 -0.24 0.00 -1.72 0.00 0.00 55.73 55.45 1wvz s ARG 65 Cb -0.03 -4.02 -0.18 0.00 -0.45 0.00 0.00 34.95 30.27 1wvz s ARG 65 CO -0.00 -1.24 2.27 -1.71 -0.68 0.00 0.00 175.30 173.94 1wvz n ASN 66 N 8.27 1.32 0.00 0.23 4.05 -1.26 -3.59 115.26 124.28 1wvz n ASN 66 Ca 0.18 -1.72 0.00 0.00 0.45 0.00 0.00 54.58 53.49 1wvz n ASN 66 Cb 0.45 -1.58 0.00 0.00 1.23 0.00 0.00 39.78 39.88 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wvz n GLN 67 N 8.25 0.00 0.00 1.20 6.02 -1.26 -5.02 117.38 126.57 1wvz n GLN 67 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1wvz n GLN 67 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 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 -1.24 -4.81 115.22 111.69 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 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -4.28 -1.40 8.01 -1.26 -2.35 117.44 116.15 1wvz n TRP 69 Ca 0.00 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.96 1wvz n TRP 69 Cb 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.23 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 0.07 4.45 -0.10 -0.99 1.04 -1.26 -1.74 113.70 115.17 1wvz s SER 70 Ca 0.00 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1wvz s SER 70 Cb 0.00 -0.74 0.05 0.00 0.10 0.00 0.00 66.02 65.43 1wvz s SER 70 CO 0.00 -0.08 0.15 -1.48 0.98 0.00 0.00 173.24 172.81 1wvz s LEU 71 N -3.70 -0.01 -0.26 2.42 2.34 0.15 -2.46 118.68 117.16 1wvz s LEU 71 Ca 0.33 0.15 -0.04 0.00 0.06 0.00 0.00 54.13 54.63 1wvz s LEU 71 Cb -0.05 0.18 0.01 0.00 -0.56 0.00 0.00 46.19 45.78 1wvz s LEU 71 CO 0.20 -0.26 -0.01 -0.51 -1.06 0.00 0.00 176.35 174.70 1wvz s ILE 72 N 2.27 3.31 0.08 1.48 2.07 0.32 -0.82 121.20 129.91 1wvz s ILE 72 Ca 0.04 -0.83 0.07 0.00 -1.41 0.00 0.00 60.65 58.51 1wvz s ILE 72 Cb -0.13 -2.66 -0.04 0.00 0.13 0.00 0.00 42.46 39.76 1wvz s ILE 72 CO -0.06 0.20 -0.11 -0.04 -1.91 0.00 0.00 174.94 173.01 1wvz s MET 73 N 1.41 2.17 -0.32 3.50 -1.94 -0.80 -2.05 119.30 121.26 1wvz s MET 73 Ca 0.02 -0.97 -0.18 0.00 -1.71 0.00 0.00 55.69 52.85 1wvz s MET 73 Cb -0.16 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.35 1wvz s MET 73 CO -0.02 0.53 0.49 -2.00 -0.01 0.00 0.00 175.02 174.01 1wvz s GLU 74 N -1.94 3.76 -0.35 2.03 2.12 -1.24 0.42 118.70 123.50 1wvz s GLU 74 Ca 0.19 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1wvz s GLU 74 Cb -0.11 -3.76 0.11 0.00 0.26 0.00 0.00 34.13 30.63 1wvz s GLU 74 CO 0.11 -0.53 0.14 -1.12 -0.54 0.00 0.00 175.26 173.31 1wvz s SER 75 N 1.70 3.96 -0.14 -1.70 0.01 -1.21 -3.72 113.70 112.60 1wvz s SER 75 Ca 0.18 -1.96 -0.15 0.00 1.31 0.00 0.00 55.95 55.33 1wvz s SER 75 Cb -0.16 -0.96 -0.12 0.00 0.21 0.00 0.00 66.02 64.99 1wvz s SER 75 CO 0.12 -0.37 0.27 0.58 0.41 0.00 0.00 173.24 174.25 1wvz h VAL 76 N 6.12 0.76 0.05 3.43 2.07 -1.84 -3.29 116.25 123.55 1wvz h VAL 76 Ca -0.09 -1.65 -0.33 0.00 0.82 0.00 0.00 66.70 65.45 1wvz h VAL 76 Cb 0.99 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1wvz h VAL 76 CO 0.47 0.26 -1.86 0.55 0.02 0.00 0.00 177.57 177.01 1wvz n VAL 77 N -4.64 1.67 0.30 2.57 3.14 -1.26 -3.06 118.33 117.05 1wvz n VAL 77 Ca -0.10 -0.74 0.14 0.00 -2.96 0.00 0.00 64.34 60.69 1wvz n VAL 77 Cb 0.32 -1.31 0.66 0.00 -1.06 0.00 0.00 33.84 32.45 1wvz n VAL 77 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1wvz h PRO 78 N 0.03 0.00 -0.27 1.45 0.11 -1.94 -2.76 132.00 128.62 1wvz h PRO 78 Ca -0.36 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.83 1wvz h PRO 78 Cb 2.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.13 1wvz h PRO 78 CO 0.08 0.00 0.43 1.03 -0.21 0.00 0.00 178.00 179.33 1wvz h SER 79 N 0.00 0.00 -0.93 -2.05 0.87 -1.69 0.79 113.55 110.54 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 0.24 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.12 1wvz h SER 79 CO 0.00 0.00 0.60 0.44 -0.53 0.00 0.00 176.83 177.34 1wvz h ASP 80 N 0.00 0.63 -3.37 6.23 3.32 -1.77 -3.33 116.42 118.13 1wvz h ASP 80 Ca 0.13 0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.58 1wvz h ASP 80 Cb 1.00 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.33 1wvz h ASP 80 CO -0.00 0.28 0.20 -1.59 -1.72 0.00 0.00 179.24 176.41 1wvz s LYS 81 N -5.66 3.23 -0.77 3.56 -2.85 0.27 -4.64 119.74 112.88 1wvz s LYS 81 Ca -0.10 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.30 1wvz s LYS 81 Cb 0.23 -4.03 0.31 0.00 -2.06 0.00 0.00 37.83 32.28 1wvz s LYS 81 CO 0.79 -1.21 2.14 0.41 0.10 0.00 0.00 175.35 177.59 1wvz n GLY 82 N 5.11 5.35 2.92 0.59 0.00 -1.25 -4.86 105.19 113.04 1wvz n GLY 82 Ca -0.03 -2.36 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.90 3.65 -0.09 1.61 2.47 -1.26 -0.14 114.94 120.29 1wvz s ASN 83 Ca 0.54 -1.08 0.04 0.00 0.42 0.00 0.00 52.86 52.77 1wvz s ASN 83 Cb 0.43 -1.11 -0.01 0.00 -1.45 0.00 0.00 41.25 39.11 1wvz s ASN 83 CO -0.35 -0.23 -0.20 -0.47 -3.72 0.00 0.00 177.10 172.12 1wvz s TYR 84 N 1.46 2.61 -0.15 0.43 5.04 -1.03 -0.92 117.35 124.78 1wvz s TYR 84 Ca -0.05 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.89 1wvz s TYR 84 Cb -0.18 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1wvz s TYR 84 CO -0.07 -0.20 -0.14 0.99 -1.34 0.00 0.00 175.55 174.79 1wvz s THR 85 N 0.01 1.59 -0.47 4.34 2.01 0.25 0.10 115.64 123.48 1wvz s THR 85 Ca -0.07 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1wvz s THR 85 Cb -0.15 -1.50 0.07 0.00 0.01 0.00 0.00 72.50 70.94 1wvz s THR 85 CO 0.05 0.46 0.40 0.00 -0.69 0.00 0.00 174.62 174.83 1wvz s VAL 87 N 1.66 3.72 -0.38 0.00 1.01 -1.02 -0.11 120.40 125.28 1wvz s VAL 87 Ca 0.04 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 1wvz s VAL 87 Cb -0.24 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1wvz s VAL 87 CO 0.07 -0.54 0.41 0.68 0.00 0.00 0.00 175.10 175.72 1wvz s VAL 88 N 1.30 5.12 0.22 2.92 -7.23 -0.93 0.11 120.40 121.90 1wvz s VAL 88 Ca 0.04 -0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1wvz s VAL 88 Cb -0.23 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 1wvz s VAL 88 CO -0.01 -0.27 0.04 -0.70 -0.31 0.00 0.00 175.10 173.85 1wvz s GLU 89 N 2.10 2.50 0.26 4.82 2.12 0.43 -1.87 118.70 129.06 1wvz s GLU 89 Ca 0.12 -1.18 -0.01 0.00 0.36 0.00 0.00 54.97 54.27 1wvz s GLU 89 Cb -0.17 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1wvz s GLU 89 CO 0.13 0.42 0.26 0.54 -0.54 0.00 0.00 175.26 176.07 1wvz s ASN 90 N -3.35 0.61 0.18 -1.70 4.22 0.31 -0.89 114.94 114.33 1wvz s ASN 90 Ca 0.30 -1.43 0.16 0.00 -2.14 0.00 0.00 52.86 49.75 1wvz s ASN 90 Cb -0.08 0.49 0.78 0.00 1.28 0.00 0.00 41.25 43.72 1wvz s ASN 90 CO 0.20 -1.00 1.51 1.21 -2.04 0.00 0.00 177.10 176.98 1wvz n GLU 91 N -0.41 0.10 -0.03 3.55 4.07 -1.26 -1.79 120.64 124.86 1wvz n GLU 91 Ca 0.03 0.48 0.07 0.00 -0.06 0.00 0.00 57.16 57.68 1wvz n GLU 91 Cb 0.64 -1.76 0.08 0.00 -0.06 0.00 0.00 31.44 30.34 1wvz n GLU 91 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1wvz n TYR 92 N -1.97 0.08 0.00 4.31 4.01 -1.26 -5.06 117.16 117.28 1wvz n TYR 92 Ca 0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1wvz n TYR 92 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.81 2.34 3.10 2.72 0.00 -0.74 -4.95 105.19 108.47 1wvz n GLY 93 Ca 0.09 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 1.61 0.16 1.61 0.01 -1.26 0.12 113.70 115.94 1wvz s SER 94 Ca 0.00 -0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.10 1wvz s SER 94 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1wvz s SER 94 CO 0.00 0.17 -0.19 -0.63 0.41 0.00 0.00 173.24 173.00 1wvz s ILE 95 N -0.31 1.82 -0.03 1.44 1.01 -0.78 -4.98 121.20 119.38 1wvz s ILE 95 Ca 0.05 -1.87 0.05 0.00 0.00 0.00 0.00 60.65 58.89 1wvz s ILE 95 Cb -0.05 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1wvz s ILE 95 CO -0.00 -0.27 -0.19 0.20 0.00 0.00 0.00 174.94 174.68 1wvz s ASN 96 N -2.56 2.29 -0.03 3.58 0.01 -1.26 -2.19 114.94 114.79 1wvz s ASN 96 Ca 0.15 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1wvz s ASN 96 Cb -0.06 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.18 1wvz s ASN 96 CO 0.06 0.21 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.82 1wvz s HIS 97 N -0.24 0.55 0.05 2.20 3.76 0.85 -4.96 115.29 117.49 1wvz s HIS 97 Ca 0.02 -0.12 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1wvz s HIS 97 Cb -0.10 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1wvz s HIS 97 CO 0.01 -0.11 -0.20 -0.08 -0.85 0.00 0.00 174.74 173.50 1wvz s THR 98 N 0.60 2.66 -0.04 1.30 -1.32 -1.26 0.18 115.64 117.76 1wvz s THR 98 Ca -0.07 -1.25 0.02 0.00 -1.21 0.00 0.00 61.69 59.18 1wvz s THR 98 Cb -0.10 -2.11 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1wvz s THR 98 CO -0.00 0.33 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.35 1wvz s TYR 99 N -0.91 0.90 -0.56 9.09 2.02 0.12 -4.95 117.35 123.05 1wvz s TYR 99 Ca 0.14 -0.26 -0.20 0.00 -0.37 0.00 0.00 57.07 56.38 1wvz s TYR 99 Cb -0.10 -0.71 0.07 0.00 -0.40 0.00 0.00 41.96 40.82 1wvz s TYR 99 CO 0.05 -0.16 0.74 -1.01 -1.57 0.00 0.00 175.55 173.60 1wvz s HIS 100 N 0.56 2.94 0.09 2.71 3.76 -1.21 -2.47 115.29 121.68 1wvz s HIS 100 Ca -0.09 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 1wvz s HIS 100 Cb -0.12 -3.85 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 1wvz s HIS 100 CO 0.01 -1.24 0.07 -0.51 -0.85 0.00 0.00 174.74 172.22 1wvz s LEU 101 N 3.04 3.73 -0.11 0.89 1.43 0.80 -2.50 118.68 125.97 1wvz s LEU 101 Ca 0.17 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1wvz s LEU 101 Cb -0.19 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 1wvz s LEU 101 CO 0.11 0.16 -0.22 -0.62 0.23 0.00 0.00 176.35 176.01 1wvz s ASP 102 N -2.47 3.23 -0.11 2.29 -1.08 -0.58 -4.23 116.67 113.72 1wvz s ASP 102 Ca 0.29 -0.53 -0.29 0.00 -0.52 0.00 0.00 52.55 51.50 1wvz s ASP 102 Cb -0.12 -1.44 -0.01 0.00 -1.46 0.00 0.00 42.92 39.89 1wvz s ASP 102 CO 0.21 0.16 1.00 0.54 0.52 0.00 0.00 175.17 177.60 1wvz s VAL 103 N 0.37 4.79 0.00 1.11 0.11 -1.26 0.75 120.40 126.26 1wvz s VAL 103 Ca -0.17 2.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.90 1wvz s VAL 103 Cb -0.18 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.37 1wvz s VAL 103 CO 0.08 0.00 0.39 0.52 -3.33 0.00 0.00 175.10 172.76