#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 -4.70 0.53 3.02 -1.26 -4.72 115.26 108.13 1wvz n ASN 5 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1wvz n ASN 5 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wvz s LYS 6 N 3.94 4.50 -0.17 3.52 3.01 -1.26 -4.26 119.74 129.02 1wvz s LYS 6 Ca 0.00 1.31 -0.06 0.00 -1.01 0.00 0.00 55.97 56.20 1wvz s LYS 6 Cb 0.00 -3.48 0.08 0.00 -1.01 0.00 0.00 37.83 33.42 1wvz s LYS 6 CO 0.00 -0.10 0.36 1.03 0.51 0.00 0.00 175.35 177.15 1wvz s ARG 7 N 1.22 0.27 -0.45 1.68 3.00 -1.26 -4.48 118.95 118.92 1wvz s ARG 7 Ca 0.48 0.90 -0.41 0.00 0.00 0.00 0.00 55.73 56.70 1wvz s ARG 7 Cb -0.20 0.16 -0.18 0.00 0.00 0.00 0.00 34.95 34.74 1wvz s ARG 7 CO 0.24 -0.25 1.68 0.00 0.00 0.00 0.00 175.30 176.97 1wvz n ALA 8 N 5.21 -0.54 -2.41 2.13 0.00 -1.26 -2.75 120.51 120.90 1wvz n ALA 8 Ca -0.10 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1wvz n ALA 8 Cb 0.50 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 4.03 4.46 0.36 0.00 0.02 -1.26 -4.70 135.00 137.91 1wvz s PRO 9 Ca 1.01 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 1wvz s PRO 9 Cb -1.36 -3.35 -0.08 0.00 0.02 0.00 0.00 34.50 29.74 1wvz s PRO 9 CO 0.67 -0.20 0.75 0.71 -0.33 0.00 0.00 177.00 178.60 1wvz s TYR 10 N 0.90 3.42 0.27 6.54 2.02 0.41 -4.76 117.35 126.15 1wvz s TYR 10 Ca 0.57 1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 58.11 1wvz s TYR 10 Cb -0.29 -2.49 -0.09 0.00 -0.40 0.00 0.00 41.96 38.69 1wvz s TYR 10 CO 0.30 0.00 1.08 1.67 -1.57 0.00 0.00 175.55 177.03 1wvz s TRP 11 N -2.16 3.64 0.01 2.71 1.48 -1.26 0.71 118.94 124.06 1wvz s TRP 11 Ca 0.53 1.72 -0.02 0.00 -1.06 0.00 0.00 56.10 57.28 1wvz s TRP 11 Cb -0.10 -3.24 -0.01 0.00 -1.16 0.00 0.00 33.47 28.96 1wvz s TRP 11 CO 0.24 -0.41 -0.03 0.25 -4.06 0.00 0.00 176.95 172.94 1wvz n THR 12 N 1.30 0.52 -2.86 0.66 -2.24 -1.04 -4.80 114.28 105.82 1wvz n THR 12 Ca -0.01 0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 1wvz n THR 12 Cb 0.45 -1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wvz s ASN 13 N -5.24 7.45 -0.11 3.42 0.02 -1.26 -4.99 114.94 114.22 1wvz s ASN 13 Ca -0.03 1.72 -0.29 0.00 -1.02 0.00 0.00 52.86 53.24 1wvz s ASN 13 Cb 0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 1wvz s ASN 13 CO 0.04 0.09 1.67 0.42 0.02 0.00 0.00 177.10 179.34 1wvz s THR 14 N -0.66 3.59 -0.81 1.60 -4.23 -1.26 -4.82 115.64 109.06 1wvz s THR 14 Ca 0.40 0.70 0.26 0.00 -1.18 0.00 0.00 61.69 61.87 1wvz s THR 14 Cb -0.23 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.36 1wvz s THR 14 CO 0.28 -0.13 1.80 -1.84 -0.54 0.00 0.00 174.62 174.19 1wvz n GLU 15 N 7.36 0.16 0.00 3.99 0.00 -1.26 -2.77 120.64 128.12 1wvz n GLU 15 Ca 0.18 0.17 0.13 0.00 0.00 0.00 0.00 57.16 57.65 1wvz n GLU 15 Cb 0.44 -1.70 0.68 0.00 0.00 0.00 0.00 31.44 30.85 1wvz n GLU 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1wvz n LYS 16 N -1.98 0.38 -0.06 3.44 2.85 -1.26 0.12 118.16 121.64 1wvz n LYS 16 Ca 0.06 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1wvz n LYS 16 Cb 0.37 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 33.67 1wvz n LYS 16 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wvz n MET 17 N -1.29 1.71 0.00 -1.58 2.81 -1.12 -4.65 117.12 113.01 1wvz n MET 17 Ca 0.13 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1wvz n MET 17 Cb 0.21 -1.42 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 -0.85 1.51 0.00 0.00 175.97 176.63 1wvz n GLU 18 N 0.28 0.00 -0.03 0.03 0.28 -1.12 -5.07 120.64 115.01 1wvz n GLU 18 Ca 0.17 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.12 1wvz n GLU 18 Cb 0.34 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.19 1wvz n GLU 18 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wvz n LYS 19 N 0.00 0.11 0.00 3.44 4.76 0.32 -4.82 118.16 121.97 1wvz n LYS 19 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1wvz n LYS 19 Cb 0.00 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 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 -3.14 0.00 -2.52 1.97 1.85 -0.63 -4.26 116.66 109.94 1wvz n ARG 20 Ca -0.10 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.35 1wvz n ARG 20 Cb 0.58 -0.13 -0.03 0.00 -1.05 0.00 0.00 32.46 31.82 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1wvz s LEU 21 N 0.00 3.37 0.10 2.89 2.34 -1.20 -1.15 118.68 125.03 1wvz s LEU 21 Ca 0.00 -1.05 0.02 0.00 0.06 0.00 0.00 54.13 53.16 1wvz s LEU 21 Cb 0.00 -2.57 -0.04 0.00 -0.56 0.00 0.00 46.19 43.02 1wvz s LEU 21 CO 0.00 -1.70 -0.08 -1.38 -1.06 0.00 0.00 176.35 172.14 1wvz s HIS 22 N 5.57 0.94 -0.05 3.48 -3.43 -0.96 -4.87 115.29 115.97 1wvz s HIS 22 Ca 0.44 -0.82 -0.19 0.00 -0.80 0.00 0.00 55.06 53.69 1wvz s HIS 22 Cb -0.03 -0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 30.54 1wvz s HIS 22 CO -0.01 -0.10 0.55 0.00 -2.00 0.00 0.00 174.74 173.18 1wvz s ALA 23 N -3.22 3.49 -0.03 -1.38 0.00 -1.26 -2.17 121.76 117.18 1wvz s ALA 23 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1wvz s ALA 23 Cb 0.02 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1wvz s ALA 23 CO -0.03 0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.82 1wvz s VAL 24 N 0.12 0.84 0.26 0.00 1.01 -0.30 -4.89 120.40 117.44 1wvz s VAL 24 Ca 0.29 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1wvz s VAL 24 Cb -0.17 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1wvz s VAL 24 CO 0.14 0.26 0.83 -2.16 0.00 0.00 0.00 175.10 174.18 1wvz s PRO 25 N 0.21 4.46 0.54 2.72 0.04 -1.26 -1.88 135.00 139.84 1wvz s PRO 25 Ca -0.04 1.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1wvz s PRO 25 Cb -0.09 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 1wvz s PRO 25 CO 0.01 0.38 1.05 0.00 0.04 0.00 0.00 177.00 178.47 1wvz s ALA 26 N -1.50 2.80 0.00 8.56 0.00 -0.24 -3.29 121.76 128.09 1wvz s ALA 26 Ca 0.45 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1wvz s ALA 26 Cb -0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1wvz s ALA 26 CO 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 175.76 175.41 1wvz n ALA 27 N -1.54 0.00 -2.30 0.00 0.00 -1.26 -5.00 120.51 110.42 1wvz n ALA 27 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 1wvz n ALA 27 Cb 0.53 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.52 5.12 0.22 0.00 2.47 -1.21 -4.78 114.94 114.25 1wvz s ASN 28 Ca 0.00 -0.67 -0.30 0.00 0.42 0.00 0.00 52.86 52.31 1wvz s ASN 28 Cb 0.00 -0.68 -0.09 0.00 -1.45 0.00 0.00 41.25 39.03 1wvz s ASN 28 CO 0.00 -0.57 0.96 0.28 -3.72 0.00 0.00 177.10 174.05 1wvz s THR 29 N -2.42 4.08 -0.28 -5.21 -1.32 -1.26 -3.89 115.64 105.34 1wvz s THR 29 Ca 0.46 2.03 -0.23 0.00 -1.21 0.00 0.00 61.69 62.74 1wvz s THR 29 Cb -0.04 -4.29 -0.01 0.00 -1.51 0.00 0.00 72.50 66.65 1wvz s THR 29 CO 0.28 0.46 0.75 -0.69 -2.21 0.00 0.00 174.62 173.20 1wvz s VAL 30 N -0.99 4.86 -0.21 5.08 1.01 0.34 -4.91 120.40 125.58 1wvz s VAL 30 Ca 0.42 1.25 -0.26 0.00 0.00 0.00 0.00 61.98 63.39 1wvz s VAL 30 Cb -0.26 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wvz s VAL 30 CO 0.32 -0.13 0.89 -0.75 0.00 0.00 0.00 175.10 175.43 1wvz s LYS 31 N 2.80 4.25 -0.20 2.72 2.20 -1.26 -1.56 119.74 128.68 1wvz s LYS 31 Ca 0.31 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1wvz s LYS 31 Cb -0.15 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1wvz s LYS 31 CO 0.10 -0.47 -0.15 0.12 -0.36 0.00 0.00 175.35 174.59 1wvz s PHE 32 N 2.66 2.89 -0.12 4.03 2.19 0.18 -5.00 117.98 124.81 1wvz s PHE 32 Ca 0.39 -1.59 -0.00 0.00 0.33 0.00 0.00 56.93 56.06 1wvz s PHE 32 Cb -0.16 -1.97 -0.02 0.00 -1.31 0.00 0.00 43.02 39.56 1wvz s PHE 32 CO 0.09 -0.76 -0.11 1.03 1.83 0.00 0.00 175.22 177.30 1wvz s ARG 33 N 1.31 3.31 -0.45 10.12 1.81 -1.26 0.13 118.95 133.91 1wvz s ARG 33 Ca 0.03 -0.65 0.07 0.00 -1.72 0.00 0.00 55.73 53.46 1wvz s ARG 33 Cb -0.14 -2.65 0.27 0.00 -0.45 0.00 0.00 34.95 31.97 1wvz s ARG 33 CO -0.10 0.29 0.82 0.00 -0.68 0.00 0.00 175.30 175.64 1wvz s PRO 35 N -0.20 3.82 -0.26 0.00 0.04 -1.13 -4.40 135.00 132.86 1wvz s PRO 35 Ca 0.32 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1wvz s PRO 35 Cb 0.24 -3.91 0.09 0.00 0.04 0.00 0.00 34.50 30.96 1wvz s PRO 35 CO -0.16 -1.24 0.11 0.00 0.04 0.00 0.00 177.00 175.75 1wvz s ALA 36 N 4.59 0.83 0.39 8.56 0.00 -1.25 -2.50 121.76 132.37 1wvz s ALA 36 Ca 0.56 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 1wvz s ALA 36 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 1wvz s ALA 36 CO 0.26 -1.52 1.22 0.20 0.00 0.00 0.00 175.76 175.92 1wvz s GLY 37 N 1.98 2.92 0.00 0.00 0.00 0.22 -4.41 107.32 108.03 1wvz s GLY 37 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1wvz s GLY 37 CO -0.27 1.64 0.00 0.61 0.00 0.00 0.00 173.10 175.09 1wvz n GLY 38 N 0.71 -0.51 3.68 0.20 0.00 -1.26 0.16 105.19 108.16 1wvz n GLY 38 Ca 0.03 0.13 -0.29 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 2.89 0.00 1.61 2.20 -1.11 -4.96 114.94 111.57 1wvz s ASN 39 Ca 0.00 1.36 0.27 0.00 -0.94 0.00 0.00 52.86 53.55 1wvz s ASN 39 Cb 0.00 -2.04 0.92 0.00 -2.00 0.00 0.00 41.25 38.14 1wvz s ASN 39 CO 0.00 -2.99 1.67 -0.81 -2.94 0.00 0.00 177.10 172.03 1wvz n PRO 40 N -4.10 0.77 -3.64 3.55 -0.04 -1.26 -4.44 135.00 125.83 1wvz n PRO 40 Ca 0.06 -0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 62.85 1wvz n PRO 40 Cb 0.56 -1.49 -0.10 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 -0.77 2.19 -3.42 0.54 0.00 -1.26 -5.08 117.12 109.32 1wvz n MET 41 Ca 0.13 -4.58 -0.38 0.00 0.00 0.00 0.00 57.70 52.87 1wvz n MET 41 Cb 0.32 -2.26 -0.08 0.00 0.00 0.00 0.00 33.22 31.20 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 -2.00 4.13 -0.15 2.12 0.04 -1.26 -4.73 135.00 133.14 1wvz s PRO 42 Ca 0.33 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1wvz s PRO 42 Cb 0.06 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1wvz s PRO 42 CO -0.09 -0.08 0.03 0.99 0.04 0.00 0.00 177.00 177.89 1wvz s THR 43 N 1.45 4.50 0.02 1.26 2.01 -0.74 -5.01 115.64 119.13 1wvz s THR 43 Ca 0.17 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1wvz s THR 43 Cb -0.15 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1wvz s THR 43 CO 0.08 0.50 -0.11 0.00 -0.69 0.00 0.00 174.62 174.40 1wvz s MET 44 N 0.06 0.79 0.09 4.92 0.23 -1.26 0.18 119.30 124.30 1wvz s MET 44 Ca 0.04 -0.60 0.06 0.00 -1.03 0.00 0.00 55.69 54.16 1wvz s MET 44 Cb -0.13 -0.74 -0.04 0.00 -1.53 0.00 0.00 34.83 32.39 1wvz s MET 44 CO 0.01 0.19 -0.05 1.03 -2.03 0.00 0.00 175.02 174.17 1wvz s ARG 45 N -0.87 2.38 -0.22 3.16 0.52 0.27 -4.94 118.95 119.24 1wvz s ARG 45 Ca 0.00 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1wvz s ARG 45 Cb -0.07 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 1wvz s ARG 45 CO 0.01 0.53 -0.04 -1.58 0.02 0.00 0.00 175.30 174.24 1wvz s TRP 46 N -1.25 2.96 -0.07 -0.53 0.52 -1.26 -2.61 118.94 116.71 1wvz s TRP 46 Ca 0.23 -0.97 0.01 0.00 0.02 0.00 0.00 56.10 55.39 1wvz s TRP 46 Cb -0.11 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 1wvz s TRP 46 CO 0.15 -0.56 -0.09 -0.51 0.02 0.00 0.00 176.95 175.97 1wvz s LEU 47 N 1.47 1.42 -0.22 2.99 1.02 -1.05 -2.66 118.68 121.66 1wvz s LEU 47 Ca 0.05 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1wvz s LEU 47 Cb -0.14 -0.71 0.05 0.00 0.02 0.00 0.00 46.19 45.41 1wvz s LEU 47 CO -0.03 -0.03 -0.06 -1.59 0.02 0.00 0.00 176.35 174.66 1wvz s LYS 48 N 1.00 1.61 -1.48 1.70 -2.85 0.44 -0.05 119.74 120.12 1wvz s LYS 48 Ca -0.09 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 53.90 1wvz s LYS 48 Cb -0.15 -2.45 0.07 0.00 -2.06 0.00 0.00 37.83 33.25 1wvz s LYS 48 CO -0.00 -0.55 0.81 -1.71 0.10 0.00 0.00 175.35 174.00 1wvz n ASN 49 N 4.72 -4.73 0.00 0.03 5.15 -0.18 -0.29 115.26 119.96 1wvz n ASN 49 Ca -0.12 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1wvz n ASN 49 Cb 0.45 -3.81 0.00 0.00 -0.53 0.00 0.00 39.78 35.89 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wvz n GLY 50 N -1.54 0.66 3.50 8.20 0.00 -1.26 -5.05 105.19 109.71 1wvz n GLY 50 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.28 2.47 0.01 1.61 2.36 0.60 -5.13 119.74 121.37 1wvz s LYS 51 Ca 0.00 -0.73 0.03 0.00 -2.55 0.00 0.00 55.97 52.72 1wvz s LYS 51 Cb 0.00 -2.39 -0.03 0.00 -1.05 0.00 0.00 37.83 34.36 1wvz s LYS 51 CO 0.00 0.61 -0.05 -1.83 1.55 0.00 0.00 175.35 175.63 1wvz s GLU 52 N -0.94 2.60 -0.11 4.03 -1.05 -1.26 0.17 118.70 122.14 1wvz s GLU 52 Ca 0.13 -0.70 -0.03 0.00 -0.15 0.00 0.00 54.97 54.22 1wvz s GLU 52 Cb -0.11 -2.54 0.04 0.00 -0.44 0.00 0.00 34.13 31.09 1wvz s GLU 52 CO 0.02 0.60 0.04 -0.59 0.95 0.00 0.00 175.26 176.29 1wvz s PHE 53 N -1.03 0.48 0.50 4.83 -0.12 -1.09 -4.99 117.98 116.56 1wvz s PHE 53 Ca 0.18 -0.23 -0.19 0.00 -0.05 0.00 0.00 56.93 56.64 1wvz s PHE 53 Cb -0.11 -0.74 -0.08 0.00 -0.63 0.00 0.00 43.02 41.46 1wvz s PHE 53 CO 0.09 -0.39 1.01 0.15 -0.05 0.00 0.00 175.22 176.02 1wvz s LYS 54 N 2.04 3.85 0.59 1.99 -0.14 -1.26 -4.60 119.74 122.20 1wvz s LYS 54 Ca 0.03 1.20 0.36 0.00 -1.36 0.00 0.00 55.97 56.20 1wvz s LYS 54 Cb -0.14 -2.11 1.77 0.00 -1.68 0.00 0.00 37.83 35.67 1wvz s LYS 54 CO -0.06 -0.37 2.15 -0.56 -0.76 0.00 0.00 175.35 175.75 1wvz h GLN 55 N 1.33 0.00 0.00 1.68 3.07 -2.00 -2.17 115.11 117.02 1wvz h GLN 55 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 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 0.60 0.03 -0.13 0.93 0.09 0.00 0.00 178.83 180.35 1wvz h GLU 56 N 0.00 0.00 -3.18 0.06 5.08 -2.02 -3.41 114.58 111.11 1wvz h GLU 56 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1wvz h GLU 56 Cb 0.28 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.17 1wvz h GLU 56 CO 0.00 0.13 -0.66 -1.58 -1.00 0.00 0.00 179.01 175.90 1wvz s HIS 57 N -4.19 -0.11 0.03 4.33 2.46 -0.81 -5.11 115.29 111.89 1wvz s HIS 57 Ca -0.03 0.49 0.01 0.00 0.47 0.00 0.00 55.06 56.01 1wvz s HIS 57 Cb 0.13 -0.30 -0.02 0.00 -0.13 0.00 0.00 32.58 32.26 1wvz s HIS 57 CO 0.60 -0.23 -0.06 1.03 -2.47 0.00 0.00 174.74 173.61 1wvz s ARG 58 N 2.11 0.42 -0.74 2.88 1.81 -1.26 -4.25 118.95 119.92 1wvz s ARG 58 Ca 0.02 -0.61 -0.26 0.00 -1.72 0.00 0.00 55.73 53.17 1wvz s ARG 58 Cb -0.12 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 1wvz s ARG 58 CO -0.05 0.02 2.04 0.42 -0.68 0.00 0.00 175.30 177.05 1wvz s ILE 59 N -1.19 3.30 0.00 1.52 -1.09 -1.25 -2.27 121.20 120.22 1wvz s ILE 59 Ca -0.10 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1wvz s ILE 59 Cb -0.09 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1wvz s ILE 59 CO -0.00 -0.69 0.00 0.61 -1.23 0.00 0.00 174.94 173.63 1wvz n GLY 60 N 6.34 2.07 0.00 6.18 0.00 -1.26 -4.23 105.19 114.29 1wvz n GLY 60 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 4.07 3.16 -0.02 0.00 -0.96 -4.99 105.19 104.44 1wvz n GLY 61 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.23 1.64 -0.04 1.61 1.13 -1.26 -3.58 117.35 114.61 1wvz s TYR 62 Ca 0.00 -0.38 -0.01 0.00 -1.41 0.00 0.00 57.07 55.27 1wvz s TYR 62 Cb 0.00 -1.08 0.03 0.00 -1.10 0.00 0.00 41.96 39.81 1wvz s TYR 62 CO 0.00 -0.09 0.04 0.15 -2.51 0.00 0.00 175.55 173.14 1wvz s LYS 63 N -0.22 0.12 -0.01 -3.49 3.01 -0.69 -5.06 119.74 113.39 1wvz s LYS 63 Ca 0.02 0.26 0.01 0.00 -1.01 0.00 0.00 55.97 55.25 1wvz s LYS 63 Cb -0.09 -0.57 0.00 0.00 -1.01 0.00 0.00 37.83 36.17 1wvz s LYS 63 CO 0.01 -0.28 -0.02 0.54 0.51 0.00 0.00 175.35 176.10 1wvz s VAL 64 N 1.84 0.23 -0.19 3.17 0.11 -1.26 0.71 120.40 125.01 1wvz s VAL 64 Ca 0.01 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 1wvz s VAL 64 Cb -0.12 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1wvz s VAL 64 CO -0.03 0.08 1.00 -0.60 -3.33 0.00 0.00 175.10 172.22 1wvz s ARG 65 N 0.17 4.31 -1.15 1.54 3.52 -1.01 -4.93 118.95 121.40 1wvz s ARG 65 Ca -0.01 1.32 -0.07 0.00 -0.13 0.00 0.00 55.73 56.83 1wvz s ARG 65 Cb -0.04 -3.61 -0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1wvz s ARG 65 CO -0.00 -0.51 2.40 -1.71 -0.81 0.00 0.00 175.30 174.67 1wvz n ASN 66 N 5.83 6.22 -0.69 -2.12 2.85 -1.26 -3.46 115.26 122.63 1wvz n ASN 66 Ca 0.10 -2.40 -0.02 0.00 -0.11 0.00 0.00 54.58 52.15 1wvz n ASN 66 Cb 0.47 -1.25 -0.02 0.00 1.24 0.00 0.00 39.78 40.22 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1wvz n GLN 67 N 3.98 0.00 -3.89 1.20 -0.06 -1.26 -5.05 117.38 112.30 1wvz n GLN 67 Ca 0.56 -0.52 -0.34 0.00 -2.00 0.00 0.00 57.00 54.69 1wvz n GLN 67 Cb 0.17 0.06 0.01 0.00 -4.06 0.00 0.00 30.24 26.42 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1wvz n HIS 68 N 0.03 -1.77 0.03 3.69 1.44 -1.22 -4.87 115.22 112.55 1wvz n HIS 68 Ca -0.07 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 1wvz n HIS 68 Cb 0.62 -2.87 0.00 0.00 0.12 0.00 0.00 29.99 27.86 1wvz n HIS 68 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1wvz n TRP 69 N -3.82 -0.45 -4.22 -1.40 -0.00 -1.26 -3.87 117.44 102.42 1wvz n TRP 69 Ca -0.20 0.08 -0.13 0.00 -0.00 0.00 0.00 57.50 57.25 1wvz n TRP 69 Cb 0.62 0.51 -0.10 0.00 -0.00 0.00 0.00 31.31 32.34 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 -4.19 1.37 -0.04 5.87 1.04 -1.26 -1.01 113.70 115.49 1wvz s SER 70 Ca 0.00 -1.06 -0.05 0.00 0.48 0.00 0.00 55.95 55.32 1wvz s SER 70 Cb 0.00 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1wvz s SER 70 CO 0.00 -0.46 0.13 -1.48 0.98 0.00 0.00 173.24 172.41 1wvz s LEU 71 N -3.13 1.54 -0.20 2.42 2.34 0.34 -2.41 118.68 119.58 1wvz s LEU 71 Ca 0.17 0.16 0.01 0.00 0.06 0.00 0.00 54.13 54.54 1wvz s LEU 71 Cb 0.05 0.47 0.04 0.00 -0.56 0.00 0.00 46.19 46.18 1wvz s LEU 71 CO -0.00 -0.11 -0.15 -0.51 -1.06 0.00 0.00 176.35 174.53 1wvz s ILE 72 N -0.22 1.90 -0.00 1.48 2.07 0.22 0.50 121.20 127.16 1wvz s ILE 72 Ca -0.03 -1.07 0.05 0.00 -1.41 0.00 0.00 60.65 58.19 1wvz s ILE 72 Cb -0.02 -1.86 -0.03 0.00 0.13 0.00 0.00 42.46 40.67 1wvz s ILE 72 CO 0.00 0.30 -0.13 -0.04 -1.91 0.00 0.00 174.94 173.16 1wvz s MET 73 N 1.30 2.36 -0.37 3.50 -1.94 -0.60 -1.71 119.30 121.85 1wvz s MET 73 Ca 0.00 -0.81 -0.17 0.00 -1.71 0.00 0.00 55.69 53.00 1wvz s MET 73 Cb -0.15 -2.35 0.00 0.00 2.01 0.00 0.00 34.83 34.34 1wvz s MET 73 CO -0.10 0.59 0.45 -2.00 -0.01 0.00 0.00 175.02 173.96 1wvz s GLU 74 N -1.20 3.45 -0.33 2.03 2.56 -1.24 0.13 118.70 124.10 1wvz s GLU 74 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.97 54.71 1wvz s GLU 74 Cb -0.11 -3.85 0.11 0.00 2.00 0.00 0.00 34.13 32.28 1wvz s GLU 74 CO 0.04 -0.68 0.13 -1.54 -0.56 0.00 0.00 175.26 172.66 1wvz s SER 75 N 1.78 3.89 -0.14 -1.70 1.04 -1.25 -3.96 113.70 113.36 1wvz s SER 75 Ca 0.15 -1.84 -0.13 0.00 0.48 0.00 0.00 55.95 54.61 1wvz s SER 75 Cb -0.16 -0.86 -0.24 0.00 0.10 0.00 0.00 66.02 64.86 1wvz s SER 75 CO 0.13 -0.38 0.36 -0.37 0.98 0.00 0.00 173.24 173.96 1wvz h VAL 76 N 6.18 0.78 0.03 5.02 -1.51 -1.85 -3.29 116.25 121.61 1wvz h VAL 76 Ca -0.10 -2.31 -0.29 0.00 -1.23 0.00 0.00 66.70 62.77 1wvz h VAL 76 Cb 1.00 2.46 -0.04 0.00 -2.13 0.00 0.00 31.29 32.58 1wvz h VAL 76 CO 0.46 0.69 -1.60 0.52 -1.23 0.00 0.00 177.57 176.42 1wvz n VAL 77 N -3.84 1.58 0.27 7.19 0.31 -1.26 -4.12 118.33 118.47 1wvz n VAL 77 Ca -0.31 -0.21 0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1wvz n VAL 77 Cb 0.92 -1.94 0.86 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 -0.76 0.00 -0.24 5.55 0.11 -1.94 -2.67 132.00 132.05 1wvz h PRO 78 Ca -0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1wvz h PRO 78 Cb 1.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 1wvz h PRO 78 CO -0.17 0.00 0.42 1.03 -0.21 0.00 0.00 178.00 179.06 1wvz h SER 79 N 0.00 0.00 -0.86 -2.05 0.87 -1.73 0.88 113.55 110.67 1wvz h SER 79 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1wvz h SER 79 Cb 0.10 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 1wvz h SER 79 CO 0.00 0.00 0.58 0.44 -0.53 0.00 0.00 176.83 177.32 1wvz h ASP 80 N 0.00 0.31 -3.40 6.23 5.19 -1.76 -3.33 116.42 119.67 1wvz h ASP 80 Ca 0.11 0.03 -0.67 0.00 -0.62 0.00 0.00 57.03 55.88 1wvz h ASP 80 Cb 0.94 -0.03 -0.17 0.00 0.18 0.00 0.00 39.33 40.26 1wvz h ASP 80 CO -0.00 0.13 0.07 -0.54 -3.12 0.00 0.00 179.24 175.78 1wvz s LYS 81 N -5.32 3.18 -0.78 3.56 3.01 0.30 -4.87 119.74 118.83 1wvz s LYS 81 Ca -0.07 -0.66 -0.03 0.00 -1.01 0.00 0.00 55.97 54.20 1wvz s LYS 81 Cb 0.22 -4.03 0.25 0.00 -1.01 0.00 0.00 37.83 33.26 1wvz s LYS 81 CO 0.78 -1.12 2.24 0.41 0.51 0.00 0.00 175.35 178.17 1wvz n GLY 82 N 5.12 5.23 2.95 -3.33 0.00 -1.25 -4.85 105.19 109.06 1wvz n GLY 82 Ca -0.04 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 3.68 -0.18 1.61 3.84 -1.26 -1.92 114.94 120.08 1wvz s ASN 83 Ca 0.53 -1.08 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 1wvz s ASN 83 Cb 0.39 -1.17 0.00 0.00 -0.55 0.00 0.00 41.25 39.92 1wvz s ASN 83 CO -0.32 -0.21 -0.13 -0.31 -2.79 0.00 0.00 177.10 173.33 1wvz s TYR 84 N 1.42 2.83 -0.17 0.43 1.51 -0.16 -1.01 117.35 122.20 1wvz s TYR 84 Ca -0.04 -1.16 0.01 0.00 -1.01 0.00 0.00 57.07 54.87 1wvz s TYR 84 Cb -0.18 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1wvz s TYR 84 CO -0.07 -0.57 -0.19 0.95 -1.11 0.00 0.00 175.55 174.56 1wvz s THR 85 N 1.11 1.96 -0.40 -0.71 -4.23 0.93 0.12 115.64 114.41 1wvz s THR 85 Ca 0.00 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1wvz s THR 85 Cb -0.14 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 71.95 1wvz s THR 85 CO -0.04 0.53 0.28 0.00 -0.54 0.00 0.00 174.62 174.84 1wvz s VAL 87 N 1.64 3.73 -0.39 0.00 1.01 -1.07 -0.02 120.40 125.31 1wvz s VAL 87 Ca 0.04 -1.57 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 1wvz s VAL 87 Cb -0.19 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wvz s VAL 87 CO 0.09 -0.48 0.34 -0.69 0.00 0.00 0.00 175.10 174.36 1wvz s VAL 88 N 1.31 5.19 0.15 2.92 1.01 -0.68 0.93 120.40 131.24 1wvz s VAL 88 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1wvz s VAL 88 Cb -0.22 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1wvz s VAL 88 CO -0.00 -0.25 0.16 -0.70 0.00 0.00 0.00 175.10 174.31 1wvz s GLU 89 N 1.90 3.01 0.18 2.72 2.12 0.47 -1.26 118.70 127.83 1wvz s GLU 89 Ca 0.09 -0.78 -0.02 0.00 0.36 0.00 0.00 54.97 54.61 1wvz s GLU 89 Cb -0.18 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1wvz s GLU 89 CO 0.12 0.50 0.13 0.54 -0.54 0.00 0.00 175.26 176.01 1wvz s ASN 90 N -3.02 0.18 0.48 -1.70 4.22 0.37 -1.80 114.94 113.68 1wvz s ASN 90 Ca 0.32 -1.29 0.33 0.00 -2.14 0.00 0.00 52.86 50.07 1wvz s ASN 90 Cb -0.11 0.37 1.65 0.00 1.28 0.00 0.00 41.25 44.44 1wvz s ASN 90 CO 0.24 -0.83 1.99 -0.08 -2.04 0.00 0.00 177.10 176.39 1wvz h GLU 91 N 2.67 0.00 -0.28 3.55 4.81 -1.87 -1.69 114.58 121.76 1wvz h GLU 91 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1wvz h GLU 91 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1wvz h GLU 91 CO 0.54 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.48 1wvz n TYR 92 N -2.72 0.36 0.00 0.92 4.02 -1.26 -5.06 117.16 113.43 1wvz n TYR 92 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1wvz n TYR 92 Cb 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wvz n GLY 93 N 1.03 1.72 3.06 2.72 0.00 -0.64 -4.90 105.19 108.18 1wvz n GLY 93 Ca 0.14 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 1.79 0.15 1.61 0.01 -1.26 0.14 113.70 116.13 1wvz s SER 94 Ca 0.00 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.07 1wvz s SER 94 Cb 0.00 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1wvz s SER 94 CO 0.00 0.09 -0.21 -0.63 0.41 0.00 0.00 173.24 172.89 1wvz s ILE 95 N 0.31 2.58 -0.02 1.44 1.01 -0.39 -4.98 121.20 121.15 1wvz s ILE 95 Ca -0.08 -1.73 0.05 0.00 0.00 0.00 0.00 60.65 58.90 1wvz s ILE 95 Cb -0.12 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1wvz s ILE 95 CO 0.02 0.02 -0.17 0.20 0.00 0.00 0.00 174.94 175.02 1wvz s ASN 96 N -2.32 2.01 -0.03 3.58 0.01 -1.26 -1.68 114.94 115.25 1wvz s ASN 96 Ca 0.18 -0.32 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 1wvz s ASN 96 Cb -0.10 -0.32 0.02 0.00 0.41 0.00 0.00 41.25 41.26 1wvz s ASN 96 CO 0.09 0.19 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.84 1wvz s HIS 97 N -0.27 0.53 -0.03 2.20 3.76 0.98 -4.98 115.29 117.48 1wvz s HIS 97 Ca 0.04 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1wvz s HIS 97 Cb -0.08 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 1wvz s HIS 97 CO 0.00 -0.12 -0.11 0.95 -0.85 0.00 0.00 174.74 174.61 1wvz s THR 98 N 0.63 3.30 -0.03 1.30 -4.23 -1.26 0.13 115.64 115.48 1wvz s THR 98 Ca -0.07 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1wvz s THR 98 Cb -0.11 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1wvz s THR 98 CO -0.00 0.51 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.26 1wvz s TYR 99 N -0.84 0.42 -0.50 3.99 1.51 0.32 -4.78 117.35 117.47 1wvz s TYR 99 Ca 0.13 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 55.97 1wvz s TYR 99 Cb -0.11 -0.43 0.08 0.00 -0.11 0.00 0.00 41.96 41.40 1wvz s TYR 99 CO 0.03 -0.12 0.50 -1.01 -1.11 0.00 0.00 175.55 173.84 1wvz s HIS 100 N 0.77 3.18 0.10 2.71 3.76 -0.30 -0.99 115.29 124.52 1wvz s HIS 100 Ca -0.08 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 1wvz s HIS 100 Cb -0.12 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.08 1wvz s HIS 100 CO -0.01 -0.94 0.26 -0.48 -0.85 0.00 0.00 174.74 172.72 1wvz s LEU 101 N 1.95 4.34 -0.18 0.89 0.05 -0.81 -2.27 118.68 122.64 1wvz s LEU 101 Ca 0.07 0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.53 1wvz s LEU 101 Cb -0.24 -2.99 0.02 0.00 -2.05 0.00 0.00 46.19 40.93 1wvz s LEU 101 CO 0.07 0.11 -0.19 -0.62 -0.55 0.00 0.00 176.35 175.17 1wvz s ASP 102 N -2.76 3.21 -0.22 1.48 2.15 -0.92 -4.34 116.67 115.26 1wvz s ASP 102 Ca 0.36 -0.68 -0.24 0.00 0.43 0.00 0.00 52.55 52.42 1wvz s ASP 102 Cb -0.12 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 41.00 1wvz s ASP 102 CO 0.28 -0.01 0.78 0.54 -0.17 0.00 0.00 175.17 176.59 1wvz s VAL 103 N 1.28 4.89 0.00 1.11 0.11 -1.26 -1.15 120.40 125.38 1wvz s VAL 103 Ca 0.04 1.47 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 1wvz s VAL 103 Cb -0.13 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1wvz s VAL 103 CO -0.12 -0.01 0.29 0.52 -3.33 0.00 0.00 175.10 172.44