#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 5.03 -1.26 -4.93 115.26 110.57 1wvz n ASN 5 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1wvz n ASN 5 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1wvz s LYS 6 N 2.87 4.65 -0.17 3.52 3.01 -1.26 -4.36 119.74 128.00 1wvz s LYS 6 Ca 0.00 1.36 -0.06 0.00 -1.01 0.00 0.00 55.97 56.26 1wvz s LYS 6 Cb 0.00 -3.38 0.08 0.00 -1.01 0.00 0.00 37.83 33.52 1wvz s LYS 6 CO 0.00 0.21 0.35 1.03 0.51 0.00 0.00 175.35 177.46 1wvz s ARG 7 N 0.05 0.26 -0.44 1.68 3.00 -1.26 -4.67 118.95 117.57 1wvz s ARG 7 Ca 0.45 0.89 -0.40 0.00 0.00 0.00 0.00 55.73 56.68 1wvz s ARG 7 Cb -0.23 0.15 -0.16 0.00 0.00 0.00 0.00 34.95 34.72 1wvz s ARG 7 CO 0.28 -0.25 2.17 0.00 0.00 0.00 0.00 175.30 177.50 1wvz n ALA 8 N 5.24 0.60 -2.21 2.13 0.00 -1.26 -2.73 120.51 122.27 1wvz n ALA 8 Ca -0.09 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1wvz n ALA 8 Cb 0.50 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1wvz n ALA 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wvz s PRO 9 N 6.16 4.30 -0.20 0.00 0.02 -1.26 -4.81 135.00 139.21 1wvz s PRO 9 Ca 1.16 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 63.91 1wvz s PRO 9 Cb -1.21 -3.48 -0.01 0.00 0.02 0.00 0.00 34.50 29.82 1wvz s PRO 9 CO 0.58 -0.53 0.86 1.52 -0.33 0.00 0.00 177.00 179.10 1wvz s TYR 10 N 2.02 3.37 0.25 6.54 1.13 0.16 -4.72 117.35 126.10 1wvz s TYR 10 Ca 0.64 1.24 -0.29 0.00 -1.41 0.00 0.00 57.07 57.25 1wvz s TYR 10 Cb -0.33 -3.06 -0.15 0.00 -1.10 0.00 0.00 41.96 37.32 1wvz s TYR 10 CO 0.28 -0.33 0.86 -2.67 -2.51 0.00 0.00 175.55 171.18 1wvz n TRP 11 N 5.64 0.68 -0.06 -3.49 4.27 -1.26 -1.80 117.44 121.42 1wvz n TRP 11 Ca 0.06 0.80 -0.06 0.00 -3.89 0.00 0.00 57.50 54.41 1wvz n TRP 11 Cb 0.48 -2.15 -0.02 0.00 -1.36 0.00 0.00 31.31 28.26 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 0.27 1.09 -3.89 -1.67 -1.04 -0.89 -4.76 114.28 103.38 1wvz n THR 12 Ca 0.13 0.25 -0.35 0.00 -2.04 0.00 0.00 64.05 62.04 1wvz n THR 12 Cb 0.29 -2.14 -0.08 0.00 -1.82 0.00 0.00 70.33 66.57 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 -5.32 6.01 0.32 8.00 0.01 -1.26 -5.06 114.94 117.64 1wvz s ASN 13 Ca -0.18 0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.92 1wvz s ASN 13 Cb 0.02 -2.01 -0.10 0.00 0.41 0.00 0.00 41.25 39.58 1wvz s ASN 13 CO 0.26 0.24 1.38 0.42 -1.51 0.00 0.00 177.10 177.90 1wvz s THR 14 N -0.04 2.56 -0.82 1.60 -4.23 -1.26 -4.67 115.64 108.77 1wvz s THR 14 Ca 0.08 0.53 0.24 0.00 -1.18 0.00 0.00 61.69 61.37 1wvz s THR 14 Cb -0.12 -3.34 0.23 0.00 1.34 0.00 0.00 72.50 70.62 1wvz s THR 14 CO 0.00 0.11 1.76 -0.62 -0.54 0.00 0.00 174.62 175.33 1wvz n GLU 15 N 1.19 0.12 0.26 3.99 4.71 -1.26 -2.63 120.64 127.01 1wvz n GLU 15 Ca 0.02 0.19 0.16 0.00 -0.01 0.00 0.00 57.16 57.53 1wvz n GLU 15 Cb 0.41 -1.67 0.61 0.00 -1.01 0.00 0.00 31.44 29.78 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 -0.04 3.49 3.11 -1.94 -2.75 116.57 118.44 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1wvz h LYS 16 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1wvz h LYS 16 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.31 1wvz n MET 17 N -3.03 1.62 0.00 1.90 2.81 -1.08 -4.75 117.12 114.59 1wvz n MET 17 Ca 0.01 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.33 1wvz n MET 17 Cb 0.33 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.24 0.00 -2.95 0.03 2.13 -1.05 -5.01 120.64 112.55 1wvz n GLU 18 Ca 0.16 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 1wvz n GLU 18 Cb 0.66 -0.09 -0.02 0.00 0.27 0.00 0.00 31.44 32.26 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1wvz n LYS 19 N -2.42 0.44 0.00 5.31 0.00 -1.13 -5.09 118.16 115.27 1wvz n LYS 19 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 58.31 55.94 1wvz n LYS 19 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.50 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 2.90 0.00 -2.27 1.64 1.85 -1.25 -4.77 116.66 114.76 1wvz n ARG 20 Ca 0.21 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.73 1wvz n ARG 20 Cb 0.54 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.91 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 0.00 3.32 0.00 2.89 1.43 -1.03 -3.79 118.68 121.49 1wvz s LEU 21 Ca 0.00 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 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 -2.22 0.00 0.00 0.23 0.00 0.00 176.35 174.36 1wvz n HIS 22 N 11.79 0.00 -5.12 0.29 1.44 -1.11 -5.00 115.22 117.50 1wvz n HIS 22 Ca 0.38 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.78 1wvz n HIS 22 Cb 0.48 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.43 1wvz n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wvz s ALA 23 N -2.00 2.02 -0.26 1.59 0.00 -1.26 -0.64 121.76 121.20 1wvz s ALA 23 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1wvz s ALA 23 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1wvz s ALA 23 CO 0.00 0.28 0.16 0.08 0.00 0.00 0.00 175.76 176.28 1wvz s VAL 24 N 0.33 5.12 0.12 0.00 1.01 0.24 -4.90 120.40 122.31 1wvz s VAL 24 Ca -0.16 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1wvz s VAL 24 Cb -0.17 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1wvz s VAL 24 CO 0.08 0.29 1.40 -2.16 0.00 0.00 0.00 175.10 174.71 1wvz s PRO 25 N 1.56 4.31 0.36 2.72 0.04 -1.26 -1.90 135.00 140.83 1wvz s PRO 25 Ca 0.07 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 1wvz s PRO 25 Cb -0.15 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 1wvz s PRO 25 CO 0.08 -0.45 1.30 0.00 0.04 0.00 0.00 177.00 177.97 1wvz s ALA 26 N 1.10 3.41 -1.44 8.56 0.00 -0.55 -2.76 121.76 130.08 1wvz s ALA 26 Ca 0.65 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1wvz s ALA 26 Cb -0.37 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1wvz s ALA 26 CO 0.30 -0.69 0.00 0.00 0.00 0.00 0.00 175.76 175.38 1wvz n ALA 27 N 0.57 -0.37 -2.48 0.00 0.00 -1.25 -5.00 120.51 111.97 1wvz n ALA 27 Ca 0.01 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 1wvz n ALA 27 Cb 0.43 -1.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.50 3.19 0.21 0.00 -0.87 -1.11 -4.86 114.94 109.00 1wvz s ASN 28 Ca 0.00 -1.21 -0.29 0.00 -1.57 0.00 0.00 52.86 49.79 1wvz s ASN 28 Cb 0.00 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.25 40.90 1wvz s ASN 28 CO 0.00 -0.30 0.90 0.42 -2.57 0.00 0.00 177.10 175.55 1wvz s THR 29 N -2.85 4.19 -0.23 1.60 -4.23 -1.26 -3.60 115.64 109.26 1wvz s THR 29 Ca 0.31 1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 62.72 1wvz s THR 29 Cb 0.04 -4.28 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 1wvz s THR 29 CO 0.14 0.49 0.12 -0.69 -0.54 0.00 0.00 174.62 174.14 1wvz s VAL 30 N -1.05 4.98 0.07 2.29 1.01 0.45 -4.93 120.40 123.21 1wvz s VAL 30 Ca 0.40 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1wvz s VAL 30 Cb -0.25 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1wvz s VAL 30 CO 0.30 0.37 0.76 -0.75 0.00 0.00 0.00 175.10 175.77 1wvz s LYS 31 N 1.06 4.49 -0.16 2.72 2.20 -1.26 -2.15 119.74 126.64 1wvz s LYS 31 Ca 0.06 1.06 -0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1wvz s LYS 31 Cb -0.14 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1wvz s LYS 31 CO 0.04 0.36 -0.08 0.12 -0.36 0.00 0.00 175.35 175.43 1wvz s PHE 32 N -0.34 1.88 -0.15 4.03 2.19 0.57 -5.01 117.98 121.15 1wvz s PHE 32 Ca 0.37 -1.13 -0.03 0.00 0.33 0.00 0.00 56.93 56.48 1wvz s PHE 32 Cb -0.21 -1.41 -0.02 0.00 -1.31 0.00 0.00 43.02 40.06 1wvz s PHE 32 CO 0.23 -0.63 -0.07 1.03 1.83 0.00 0.00 175.22 177.62 1wvz s ARG 33 N 1.58 3.58 -0.44 10.12 3.00 -1.26 -0.38 118.95 135.15 1wvz s ARG 33 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 55.73 55.25 1wvz s ARG 33 Cb -0.14 -2.83 0.28 0.00 0.00 0.00 0.00 34.95 32.26 1wvz s ARG 33 CO -0.08 0.23 0.82 0.00 0.00 0.00 0.00 175.30 176.26 1wvz s PRO 35 N -0.43 4.24 -0.25 0.00 0.04 -1.23 -4.31 135.00 133.05 1wvz s PRO 35 Ca 0.32 2.23 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 1wvz s PRO 35 Cb 0.25 -3.44 0.13 0.00 0.04 0.00 0.00 34.50 31.48 1wvz s PRO 35 CO -0.14 -0.63 0.51 0.00 0.04 0.00 0.00 177.00 176.78 1wvz s ALA 36 N 2.02 -1.61 -0.02 8.56 0.00 -1.25 -2.11 121.76 127.36 1wvz s ALA 36 Ca 0.70 1.70 -0.22 0.00 0.00 0.00 0.00 51.96 54.14 1wvz s ALA 36 Cb -0.39 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1wvz s ALA 36 CO 0.31 -1.00 0.65 0.20 0.00 0.00 0.00 175.76 175.91 1wvz s GLY 37 N 2.73 2.63 0.00 0.00 0.00 -0.74 -4.79 107.32 107.15 1wvz s GLY 37 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1wvz s GLY 37 CO -0.17 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1wvz n GLY 38 N 2.65 2.04 3.68 0.20 0.00 -1.26 0.40 105.19 112.91 1wvz n GLY 38 Ca -0.05 0.01 -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 0.54 0.00 0.00 0.00 173.32 173.86 1wvz s ASN 39 N 2.00 2.80 0.02 1.61 2.20 -1.11 -4.95 114.94 117.52 1wvz s ASN 39 Ca 0.00 1.26 0.27 0.00 -0.94 0.00 0.00 52.86 53.46 1wvz s ASN 39 Cb 0.00 -1.93 0.97 0.00 -2.00 0.00 0.00 41.25 38.29 1wvz s ASN 39 CO 0.00 -3.03 1.76 -0.81 -2.94 0.00 0.00 177.10 172.07 1wvz n PRO 40 N -4.12 0.04 -3.56 3.55 -0.04 -1.26 -4.32 135.00 125.29 1wvz n PRO 40 Ca 0.06 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 1wvz n PRO 40 Cb 0.57 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.60 2.61 -3.40 0.54 0.00 -1.26 -5.08 117.12 108.93 1wvz n MET 41 Ca 0.06 -4.56 -0.38 0.00 0.00 0.00 0.00 57.70 52.82 1wvz n MET 41 Cb 0.35 -2.34 -0.06 0.00 0.00 0.00 0.00 33.22 31.17 1wvz n MET 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wvz s PRO 42 N -1.97 4.07 -0.32 2.12 0.04 -1.26 -4.71 135.00 132.97 1wvz s PRO 42 Ca 0.32 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.92 1wvz s PRO 42 Cb 0.03 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1wvz s PRO 42 CO -0.07 0.60 0.00 0.99 0.04 0.00 0.00 177.00 178.56 1wvz s THR 43 N -0.85 2.33 0.06 1.26 2.01 -0.70 -5.03 115.64 114.71 1wvz s THR 43 Ca 0.26 -2.07 0.08 0.00 0.31 0.00 0.00 61.69 60.26 1wvz s THR 43 Cb -0.17 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1wvz s THR 43 CO 0.15 -0.40 -0.18 0.00 -0.69 0.00 0.00 174.62 173.49 1wvz s MET 44 N 0.99 2.00 0.15 4.92 0.23 -1.26 0.15 119.30 126.48 1wvz s MET 44 Ca 0.04 -1.03 0.09 0.00 -1.03 0.00 0.00 55.69 53.76 1wvz s MET 44 Cb -0.20 -2.16 -0.04 0.00 -1.53 0.00 0.00 34.83 30.90 1wvz s MET 44 CO -0.07 0.53 -0.17 1.03 -2.03 0.00 0.00 175.02 174.31 1wvz s ARG 45 N -1.58 1.81 -0.18 3.16 0.52 0.29 -4.93 118.95 118.03 1wvz s ARG 45 Ca 0.15 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1wvz s ARG 45 Cb -0.10 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.31 1wvz s ARG 45 CO 0.06 0.45 -0.17 -1.58 0.02 0.00 0.00 175.30 174.08 1wvz s TRP 46 N -1.40 2.81 -0.07 -0.53 0.51 -1.26 -2.37 118.94 116.61 1wvz s TRP 46 Ca 0.20 -1.51 0.01 0.00 -2.12 0.00 0.00 56.10 52.68 1wvz s TRP 46 Cb -0.10 -1.95 0.02 0.00 -0.81 0.00 0.00 33.47 30.64 1wvz s TRP 46 CO 0.11 -0.76 -0.07 -1.17 -0.51 0.00 0.00 176.95 174.56 1wvz s LEU 47 N 1.30 1.29 -0.22 2.99 1.98 -1.03 -2.48 118.68 122.52 1wvz s LEU 47 Ca 0.05 -0.22 0.01 0.00 -2.89 0.00 0.00 54.13 51.07 1wvz s LEU 47 Cb -0.13 -0.67 0.05 0.00 0.66 0.00 0.00 46.19 46.10 1wvz s LEU 47 CO -0.11 -0.06 -0.08 -1.59 -1.89 0.00 0.00 176.35 172.62 1wvz s LYS 48 N 1.19 1.85 -0.96 1.98 -2.85 0.43 -0.01 119.74 121.37 1wvz s LYS 48 Ca -0.06 -0.97 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 1wvz s LYS 48 Cb -0.14 -2.55 0.03 0.00 -2.06 0.00 0.00 37.83 33.11 1wvz s LYS 48 CO -0.02 -0.53 0.18 -1.71 0.10 0.00 0.00 175.35 173.38 1wvz n ASN 49 N 4.65 -3.24 0.00 0.03 2.85 0.42 0.39 115.26 120.37 1wvz n ASN 49 Ca -0.13 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1wvz n ASN 49 Cb 0.45 -2.75 0.00 0.00 1.24 0.00 0.00 39.78 38.71 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wvz n GLY 50 N -0.88 0.37 3.69 8.20 0.00 -1.26 -5.03 105.19 110.28 1wvz n GLY 50 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.91 3.42 -0.04 1.61 2.20 0.16 -5.10 119.74 121.08 1wvz s LYS 51 Ca 0.00 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1wvz s LYS 51 Cb 0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1wvz s LYS 51 CO 0.00 0.55 0.10 -1.83 -0.36 0.00 0.00 175.35 173.82 1wvz s GLU 52 N -0.44 3.20 -0.04 4.03 -1.05 -1.26 0.16 118.70 123.31 1wvz s GLU 52 Ca 0.09 -0.37 -0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1wvz s GLU 52 Cb -0.12 -2.96 0.03 0.00 -0.44 0.00 0.00 34.13 30.64 1wvz s GLU 52 CO 0.02 0.69 0.05 -0.59 0.95 0.00 0.00 175.26 176.38 1wvz s PHE 53 N -1.14 0.06 0.40 4.83 -0.12 -1.03 -4.99 117.98 115.98 1wvz s PHE 53 Ca 0.21 0.23 0.04 0.00 -0.05 0.00 0.00 56.93 57.36 1wvz s PHE 53 Cb -0.12 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 1wvz s PHE 53 CO 0.11 -0.17 0.16 0.15 -0.05 0.00 0.00 175.22 175.42 1wvz s LYS 54 N 1.94 1.91 0.63 1.99 1.02 -1.25 -4.53 119.74 121.46 1wvz s LYS 54 Ca 0.02 -2.16 0.39 0.00 0.02 0.00 0.00 55.97 54.24 1wvz s LYS 54 Cb -0.12 -0.44 2.11 0.00 -0.52 0.00 0.00 37.83 38.86 1wvz s LYS 54 CO -0.03 -0.52 2.18 1.96 -0.92 0.00 0.00 175.35 178.02 1wvz h GLN 55 N 1.83 0.00 -0.30 1.68 4.20 -2.01 -2.12 115.11 118.39 1wvz h GLN 55 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1wvz h GLN 55 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1wvz h GLN 55 CO 0.53 0.00 0.20 0.93 -0.67 0.00 0.00 178.83 179.81 1wvz h GLU 56 N 0.00 0.39 -3.23 1.46 5.08 -2.02 -3.44 114.58 112.82 1wvz h GLU 56 Ca 0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1wvz h GLU 56 Cb 0.18 -0.09 -0.28 0.00 0.50 0.00 0.00 28.75 29.06 1wvz h GLU 56 CO 0.00 0.26 -0.53 -1.58 -1.00 0.00 0.00 179.01 176.16 1wvz s HIS 57 N -6.17 -0.22 -0.23 4.33 2.46 -0.80 -5.15 115.29 109.52 1wvz s HIS 57 Ca -0.13 0.55 -0.20 0.00 0.47 0.00 0.00 55.06 55.75 1wvz s HIS 57 Cb 0.10 0.03 0.06 0.00 -0.13 0.00 0.00 32.58 32.63 1wvz s HIS 57 CO 0.71 -0.14 0.60 1.03 -2.47 0.00 0.00 174.74 174.46 1wvz s ARG 58 N 0.61 0.69 -0.73 2.88 1.81 -1.26 -3.92 118.95 119.03 1wvz s ARG 58 Ca -0.04 0.86 -0.26 0.00 -1.72 0.00 0.00 55.73 54.57 1wvz s ARG 58 Cb -0.06 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.71 1wvz s ARG 58 CO -0.03 -0.09 2.00 0.42 -0.68 0.00 0.00 175.30 176.92 1wvz s ILE 59 N 0.46 3.33 0.00 1.52 1.01 -1.25 -2.51 121.20 123.74 1wvz s ILE 59 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1wvz s ILE 59 Cb -0.04 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1wvz s ILE 59 CO -0.01 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 174.78 1wvz n GLY 60 N 6.29 1.31 0.00 6.18 0.00 -1.26 -4.35 105.19 113.36 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 2.26 3.15 -0.02 0.00 -1.05 -5.02 105.19 102.51 1wvz n GLY 61 Ca 0.00 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.38 0.95 -0.05 1.61 1.13 -1.26 -4.06 117.35 114.29 1wvz s TYR 62 Ca 0.00 -0.64 0.04 0.00 -1.41 0.00 0.00 57.07 55.06 1wvz s TYR 62 Cb 0.00 -0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 1wvz s TYR 62 CO 0.00 -0.04 -0.16 0.15 -2.51 0.00 0.00 175.55 172.99 1wvz s LYS 63 N -2.58 2.48 -0.00 -3.49 3.01 0.25 -4.99 119.74 114.42 1wvz s LYS 63 Ca 0.02 -0.74 0.01 0.00 -1.01 0.00 0.00 55.97 54.25 1wvz s LYS 63 Cb -0.04 -2.33 -0.00 0.00 -1.01 0.00 0.00 37.83 34.45 1wvz s LYS 63 CO -0.00 0.59 -0.03 0.14 0.51 0.00 0.00 175.35 176.56 1wvz s VAL 64 N -0.64 0.22 0.37 3.17 -7.23 -1.26 0.31 120.40 115.33 1wvz s VAL 64 Ca 0.10 -0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 59.90 1wvz s VAL 64 Cb -0.11 -0.19 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 1wvz s VAL 64 CO 0.01 0.06 1.06 -0.60 -0.31 0.00 0.00 175.10 175.31 1wvz s ARG 65 N -0.04 4.26 -0.41 4.82 6.06 -0.87 -4.94 118.95 127.82 1wvz s ARG 65 Ca 0.01 1.56 -0.01 0.00 -2.50 0.00 0.00 55.73 54.80 1wvz s ARG 65 Cb -0.01 -2.67 0.32 0.00 0.06 0.00 0.00 34.95 32.64 1wvz s ARG 65 CO -0.00 -0.07 1.96 0.09 -2.50 0.00 0.00 175.30 174.78 1wvz n ASN 66 N 0.18 6.36 -0.73 -2.12 5.03 -1.26 -3.90 115.26 118.83 1wvz n ASN 66 Ca 0.04 -3.27 0.00 0.00 0.87 0.00 0.00 54.58 52.22 1wvz n ASN 66 Cb 0.49 -0.98 -0.00 0.00 -1.02 0.00 0.00 39.78 38.26 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1wvz n GLN 67 N -0.15 0.00 -3.34 3.52 7.27 -1.26 -5.06 117.38 118.36 1wvz n GLN 67 Ca 0.41 -0.97 -0.19 0.00 0.07 0.00 0.00 57.00 56.32 1wvz n GLN 67 Cb 0.71 -0.22 0.01 0.00 2.41 0.00 0.00 30.24 33.15 1wvz n GLN 67 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1wvz n HIS 68 N 0.09 -2.76 0.00 3.69 -0.00 -1.25 -4.93 115.22 110.06 1wvz n HIS 68 Ca -0.01 1.11 0.00 0.00 -0.00 0.00 0.00 57.72 58.82 1wvz n HIS 68 Cb 0.74 -3.15 0.00 0.00 -0.00 0.00 0.00 29.99 27.58 1wvz n HIS 68 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.34 178.21 1wvz n TRP 69 N -1.31 0.00 -4.39 1.57 -0.00 -1.26 -3.87 117.44 108.18 1wvz n TRP 69 Ca -0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.14 1wvz n TRP 69 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.79 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wvz s SER 70 N 1.24 3.61 -0.05 5.87 1.04 -1.26 -0.87 113.70 123.28 1wvz s SER 70 Ca 0.00 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.59 1wvz s SER 70 Cb 0.00 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1wvz s SER 70 CO 0.00 0.12 0.14 -1.48 0.98 0.00 0.00 173.24 173.01 1wvz s LEU 71 N -2.63 1.46 -0.13 2.42 2.34 0.49 -2.05 118.68 120.58 1wvz s LEU 71 Ca 0.21 0.25 0.00 0.00 0.06 0.00 0.00 54.13 54.65 1wvz s LEU 71 Cb -0.08 0.51 0.02 0.00 -0.56 0.00 0.00 46.19 46.08 1wvz s LEU 71 CO 0.11 -0.08 -0.12 -0.51 -1.06 0.00 0.00 176.35 174.68 1wvz s ILE 72 N -0.05 1.39 -0.03 1.48 -1.16 0.15 -0.31 121.20 122.66 1wvz s ILE 72 Ca -0.01 -0.53 0.06 0.00 -0.51 0.00 0.00 60.65 59.65 1wvz s ILE 72 Cb -0.02 -1.32 -0.01 0.00 0.61 0.00 0.00 42.46 41.73 1wvz s ILE 72 CO 0.00 0.43 -0.20 0.00 -2.81 0.00 0.00 174.94 172.36 1wvz s MET 73 N 1.41 1.78 -0.34 3.50 0.23 -0.92 -0.58 119.30 124.39 1wvz s MET 73 Ca 0.02 -0.71 -0.20 0.00 -1.03 0.00 0.00 55.69 53.77 1wvz s MET 73 Cb -0.13 -1.64 -0.00 0.00 -1.53 0.00 0.00 34.83 31.53 1wvz s MET 73 CO -0.08 0.37 0.62 -2.00 -2.03 0.00 0.00 175.02 171.91 1wvz s GLU 74 N -0.28 3.75 -0.33 3.16 2.12 -1.26 -0.41 118.70 125.45 1wvz s GLU 74 Ca 0.03 0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 1wvz s GLU 74 Cb -0.10 -3.78 0.11 0.00 0.26 0.00 0.00 34.13 30.62 1wvz s GLU 74 CO 0.01 -0.68 0.12 -1.54 -0.54 0.00 0.00 175.26 172.63 1wvz s SER 75 N 1.74 3.95 -0.03 -1.70 1.04 -1.24 -3.95 113.70 113.52 1wvz s SER 75 Ca 0.24 -1.83 -0.08 0.00 0.48 0.00 0.00 55.95 54.76 1wvz s SER 75 Cb -0.15 -0.89 -0.30 0.00 0.10 0.00 0.00 66.02 64.78 1wvz s SER 75 CO 0.14 -0.39 0.75 -0.37 0.98 0.00 0.00 173.24 174.35 1wvz h VAL 76 N 6.24 1.03 0.03 5.02 -1.51 -1.89 -3.21 116.25 121.95 1wvz h VAL 76 Ca -0.11 -2.62 -0.30 0.00 -1.23 0.00 0.00 66.70 62.45 1wvz h VAL 76 Cb 1.00 2.78 -0.04 0.00 -2.13 0.00 0.00 31.29 32.90 1wvz h VAL 76 CO 0.47 0.84 -1.62 0.52 -1.23 0.00 0.00 177.57 176.54 1wvz n VAL 77 N -3.55 1.59 0.28 7.19 0.31 -1.26 -3.78 118.33 119.11 1wvz n VAL 77 Ca -0.21 -0.23 0.17 0.00 -0.01 0.00 0.00 64.34 64.05 1wvz n VAL 77 Cb 1.07 -1.93 0.84 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.73 0.00 -0.25 5.55 0.11 -1.95 -2.56 132.00 132.17 1wvz h PRO 78 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1wvz h PRO 78 Cb 1.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 1wvz h PRO 78 CO -0.17 0.00 0.40 1.03 -0.21 0.00 0.00 178.00 179.06 1wvz h SER 79 N 0.00 0.00 -0.97 -2.05 0.87 -1.72 0.34 113.55 110.02 1wvz h SER 79 Ca 0.00 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1wvz h SER 79 Cb 0.11 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.99 1wvz h SER 79 CO 0.00 0.00 0.61 0.44 -0.53 0.00 0.00 176.83 177.35 1wvz h ASP 80 N 0.00 0.84 -3.39 6.23 3.32 -1.73 -3.34 116.42 118.34 1wvz h ASP 80 Ca 0.12 0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.54 1wvz h ASP 80 Cb 0.93 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.19 1wvz h ASP 80 CO -0.00 0.43 0.05 -0.54 -1.72 0.00 0.00 179.24 177.46 1wvz s LYS 81 N -5.86 3.17 -1.01 3.56 3.01 0.11 -4.72 119.74 117.99 1wvz s LYS 81 Ca -0.11 -0.70 -0.03 0.00 -1.01 0.00 0.00 55.97 54.12 1wvz s LYS 81 Cb 0.22 -4.03 0.24 0.00 -1.01 0.00 0.00 37.83 33.25 1wvz s LYS 81 CO 0.80 -1.11 2.12 0.41 0.51 0.00 0.00 175.35 178.08 1wvz n GLY 82 N 5.12 5.58 2.95 -3.33 0.00 -1.25 -4.83 105.19 109.43 1wvz n GLY 82 Ca -0.05 -2.34 -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 -0.63 3.80 -0.19 1.61 2.47 -1.26 -1.04 114.94 119.69 1wvz s ASN 83 Ca 0.48 -1.14 -0.05 0.00 0.42 0.00 0.00 52.86 52.57 1wvz s ASN 83 Cb 0.25 -1.19 -0.03 0.00 -1.45 0.00 0.00 41.25 38.83 1wvz s ASN 83 CO -0.18 -0.22 -0.01 -0.31 -3.72 0.00 0.00 177.10 172.66 1wvz s TYR 84 N 1.39 3.04 -0.15 0.43 1.51 -1.00 -0.43 117.35 122.14 1wvz s TYR 84 Ca -0.05 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1wvz s TYR 84 Cb -0.19 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1wvz s TYR 84 CO -0.06 -0.19 -0.14 0.99 -1.11 0.00 0.00 175.55 175.04 1wvz s THR 85 N 0.86 1.56 -0.42 -0.71 2.01 0.98 0.59 115.64 120.50 1wvz s THR 85 Ca 0.01 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1wvz s THR 85 Cb -0.14 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1wvz s THR 85 CO 0.02 0.46 0.29 0.00 -0.69 0.00 0.00 174.62 174.70 1wvz s VAL 87 N 1.58 3.73 -0.34 0.00 1.01 -1.00 0.31 120.40 125.70 1wvz s VAL 87 Ca 0.03 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 1wvz s VAL 87 Cb -0.21 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wvz s VAL 87 CO 0.07 -0.48 0.20 0.68 0.00 0.00 0.00 175.10 175.57 1wvz s VAL 88 N 1.31 4.78 0.24 2.92 -7.23 -0.71 0.11 120.40 121.83 1wvz s VAL 88 Ca 0.03 -0.53 0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1wvz s VAL 88 Cb -0.22 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1wvz s VAL 88 CO -0.00 -0.07 0.07 -0.70 -0.31 0.00 0.00 175.10 174.08 1wvz s GLU 89 N 1.62 2.54 0.34 4.82 -6.30 0.41 -1.80 118.70 120.33 1wvz s GLU 89 Ca 0.04 -1.23 0.06 0.00 -2.50 0.00 0.00 54.97 51.34 1wvz s GLU 89 Cb -0.18 -2.34 -0.02 0.00 0.00 0.00 0.00 34.13 31.59 1wvz s GLU 89 CO 0.07 0.40 0.33 0.27 0.02 0.00 0.00 175.26 176.36 1wvz n ASN 90 N -0.83 -0.87 0.16 -1.70 0.23 0.26 -1.72 115.26 110.79 1wvz n ASN 90 Ca -0.07 -3.15 0.13 0.00 -0.53 0.00 0.00 54.58 50.95 1wvz n ASN 90 Cb 0.58 1.90 0.53 0.00 -2.08 0.00 0.00 39.78 40.71 1wvz n ASN 90 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wvz h GLU 91 N 0.00 0.00 -0.23 -3.83 4.22 -1.89 -2.78 114.58 110.07 1wvz h GLU 91 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1wvz h GLU 91 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wvz h GLU 91 CO 0.35 0.00 0.00 0.98 -2.18 0.00 0.00 179.01 178.16 1wvz n TYR 92 N -2.41 0.29 0.00 0.92 9.36 -1.26 -5.06 117.16 118.99 1wvz n TYR 92 Ca 0.02 -0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1wvz n TYR 92 Cb 0.25 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wvz n GLY 93 N 1.01 2.21 3.10 2.98 0.00 -1.05 -4.96 105.19 108.48 1wvz n GLY 93 Ca 0.13 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 1.67 0.16 1.61 1.04 -1.26 0.92 113.70 117.84 1wvz s SER 94 Ca 0.00 -0.26 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1wvz s SER 94 CO 0.00 0.16 -0.18 -0.63 0.98 0.00 0.00 173.24 173.57 1wvz s ILE 95 N -0.22 1.75 0.02 -1.02 1.01 -0.74 -4.97 121.20 117.02 1wvz s ILE 95 Ca 0.03 -1.88 0.04 0.00 0.00 0.00 0.00 60.65 58.84 1wvz s ILE 95 Cb -0.07 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1wvz s ILE 95 CO -0.00 -0.32 -0.13 0.54 0.00 0.00 0.00 174.94 175.03 1wvz s ASN 96 N -2.62 1.52 -0.02 3.58 2.20 -1.26 -1.73 114.94 116.60 1wvz s ASN 96 Ca 0.15 -0.38 0.01 0.00 -0.94 0.00 0.00 52.86 51.70 1wvz s ASN 96 Cb -0.06 -0.11 0.01 0.00 -2.00 0.00 0.00 41.25 39.09 1wvz s ASN 96 CO 0.06 0.06 -0.03 -1.00 -2.94 0.00 0.00 177.10 173.25 1wvz s HIS 97 N -0.68 0.49 -0.01 1.54 0.09 0.15 -4.96 115.29 111.91 1wvz s HIS 97 Ca 0.02 -0.09 0.06 0.00 -0.00 0.00 0.00 55.06 55.05 1wvz s HIS 97 Cb -0.07 -0.44 -0.03 0.00 -0.00 0.00 0.00 32.58 32.05 1wvz s HIS 97 CO 0.01 -0.10 -0.18 0.99 -0.00 0.00 0.00 174.74 175.45 1wvz s THR 98 N 0.59 2.73 -0.05 1.30 2.01 -1.26 0.16 115.64 121.11 1wvz s THR 98 Ca -0.07 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1wvz s THR 98 Cb -0.10 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1wvz s THR 98 CO -0.01 0.51 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.03 1wvz s TYR 99 N -0.76 1.12 -0.62 4.92 2.02 0.20 -4.99 117.35 119.24 1wvz s TYR 99 Ca 0.12 -0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 56.21 1wvz s TYR 99 Cb -0.10 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.65 1wvz s TYR 99 CO 0.02 -0.19 1.12 -1.01 -1.57 0.00 0.00 175.55 173.91 1wvz s HIS 100 N 0.56 2.59 -0.03 2.71 3.76 -1.25 -2.37 115.29 121.26 1wvz s HIS 100 Ca -0.10 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1wvz s HIS 100 Cb -0.13 -4.40 -0.03 0.00 1.11 0.00 0.00 32.58 29.13 1wvz s HIS 100 CO 0.02 -1.64 -0.03 -0.51 -0.85 0.00 0.00 174.74 171.73 1wvz s LEU 101 N 4.77 3.39 -0.17 0.89 1.43 -0.21 -2.48 118.68 126.30 1wvz s LEU 101 Ca 0.35 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1wvz s LEU 101 Cb -0.10 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1wvz s LEU 101 CO 0.20 0.32 -0.01 -1.81 0.23 0.00 0.00 176.35 175.27 1wvz s ASP 102 N -1.26 4.93 -0.22 2.29 1.01 0.19 -4.28 116.67 119.33 1wvz s ASP 102 Ca 0.16 -0.11 -0.27 0.00 0.71 0.00 0.00 52.55 53.04 1wvz s ASP 102 Cb -0.11 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.00 1wvz s ASP 102 CO 0.06 0.15 0.93 0.54 0.21 0.00 0.00 175.17 177.06 1wvz s VAL 103 N 0.49 4.77 0.00 -1.27 0.11 -1.26 0.80 120.40 124.04 1wvz s VAL 103 Ca -0.02 1.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1wvz s VAL 103 Cb -0.14 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.50 1wvz s VAL 103 CO 0.02 -0.11 0.19 0.52 -3.33 0.00 0.00 175.10 172.40