#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 -4.69 6.41 3.02 -1.26 -4.91 115.26 113.83 1wvz n ASN 5 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1wvz n ASN 5 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1wvz n ASN 5 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wvz s LYS 6 N -1.41 3.96 -0.04 3.52 0.00 -1.26 -3.75 119.74 120.76 1wvz s LYS 6 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 55.97 55.67 1wvz s LYS 6 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 37.83 34.60 1wvz s LYS 6 CO 0.00 0.34 0.06 1.03 0.00 0.00 0.00 175.35 176.78 1wvz s ARG 7 N 0.19 -0.06 -0.65 1.78 3.00 -1.26 -4.26 118.95 117.69 1wvz s ARG 7 Ca 0.06 0.35 -0.36 0.00 0.00 0.00 0.00 55.73 55.78 1wvz s ARG 7 Cb -0.12 -0.44 -0.19 0.00 0.00 0.00 0.00 34.95 34.20 1wvz s ARG 7 CO -0.00 -0.30 2.19 0.00 0.00 0.00 0.00 175.30 177.20 1wvz n ALA 8 N 5.07 0.23 -2.43 2.13 0.00 -1.26 -2.79 120.51 121.46 1wvz n ALA 8 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1wvz n ALA 8 Cb 0.50 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 6.68 4.41 0.18 0.00 0.02 -1.26 -4.76 135.00 140.27 1wvz s PRO 9 Ca 1.17 1.74 -0.26 0.00 0.02 0.00 0.00 61.00 63.68 1wvz s PRO 9 Cb -1.30 -3.42 -0.08 0.00 0.02 0.00 0.00 34.50 29.71 1wvz s PRO 9 CO 0.55 -0.32 0.81 0.71 -0.33 0.00 0.00 177.00 178.42 1wvz s TYR 10 N 1.45 3.92 0.16 6.54 2.02 0.37 -4.60 117.35 127.21 1wvz s TYR 10 Ca 0.58 1.69 -0.32 0.00 -0.37 0.00 0.00 57.07 58.65 1wvz s TYR 10 Cb -0.28 -2.81 -0.11 0.00 -0.40 0.00 0.00 41.96 38.36 1wvz s TYR 10 CO 0.27 0.50 1.69 -1.58 -1.57 0.00 0.00 175.55 174.85 1wvz s TRP 11 N -1.11 2.76 -0.24 2.71 0.51 -1.26 0.16 118.94 122.46 1wvz s TRP 11 Ca 0.37 0.36 -0.14 0.00 -2.12 0.00 0.00 56.10 54.57 1wvz s TRP 11 Cb -0.24 -4.06 -0.10 0.00 -0.81 0.00 0.00 33.47 28.26 1wvz s TRP 11 CO 0.27 -4.09 -0.33 2.41 -0.51 0.00 0.00 176.95 174.70 1wvz n THR 12 N 4.20 1.43 -4.01 2.01 -1.04 -1.04 -4.82 114.28 111.01 1wvz n THR 12 Ca 0.16 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.05 61.53 1wvz n THR 12 Cb 0.37 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 66.88 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 -7.10 5.88 0.05 8.00 0.02 -1.26 -5.07 114.94 115.46 1wvz s ASN 13 Ca -0.35 0.25 -0.31 0.00 -1.02 0.00 0.00 52.86 51.43 1wvz s ASN 13 Cb 0.12 -1.91 -0.06 0.00 0.02 0.00 0.00 41.25 39.42 1wvz s ASN 13 CO 0.44 0.30 1.32 0.42 0.02 0.00 0.00 177.10 179.60 1wvz s THR 14 N -0.38 3.74 -0.83 1.60 -4.23 -1.26 -4.72 115.64 109.56 1wvz s THR 14 Ca 0.10 1.21 0.25 0.00 -1.18 0.00 0.00 61.69 62.07 1wvz s THR 14 Cb -0.12 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.19 1wvz s THR 14 CO 0.02 0.06 1.78 -0.62 -0.54 0.00 0.00 174.62 175.31 1wvz n GLU 15 N 4.48 0.12 0.04 3.99 -0.58 -1.26 -2.70 120.64 124.74 1wvz n GLU 15 Ca 0.11 0.17 0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1wvz n GLU 15 Cb 0.44 -1.67 0.40 0.00 -0.57 0.00 0.00 31.44 30.05 1wvz n GLU 15 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1wvz n LYS 16 N -1.89 0.07 -0.26 3.49 4.81 -1.26 0.36 118.16 123.49 1wvz n LYS 16 Ca 0.05 0.27 0.12 0.00 -0.87 0.00 0.00 58.31 57.88 1wvz n LYS 16 Cb 0.34 -1.63 0.25 0.00 0.02 0.00 0.00 35.03 34.01 1wvz n LYS 16 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1wvz n MET 17 N -1.76 2.58 0.00 1.64 2.81 -1.10 -4.67 117.12 116.62 1wvz n MET 17 Ca 0.04 -2.41 0.00 0.00 -1.81 0.00 0.00 57.70 53.51 1wvz n MET 17 Cb 0.22 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.51 0.00 0.00 0.03 0.28 -0.94 -5.04 120.64 116.48 1wvz n GLU 18 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1wvz n GLU 18 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 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 -1.10 3.44 3.00 0.16 -4.66 118.16 119.00 1wvz n LYS 19 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 1wvz n LYS 19 Cb 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 35.03 34.87 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 -2.02 2.17 -2.87 1.64 -4.01 -1.20 -4.51 116.66 105.86 1wvz n ARG 20 Ca 0.00 -2.27 -0.43 0.00 -1.04 0.00 0.00 57.85 54.10 1wvz n ARG 20 Cb 0.00 -1.90 -0.03 0.00 -3.04 0.00 0.00 32.46 27.49 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 -2.62 4.69 0.59 2.89 2.01 -1.08 -4.23 118.68 120.93 1wvz s LEU 21 Ca 0.45 -1.66 0.30 0.00 0.01 0.00 0.00 54.13 53.23 1wvz s LEU 21 Cb 0.35 -2.42 1.34 0.00 0.01 0.00 0.00 46.19 45.47 1wvz s LEU 21 CO -0.02 -1.22 1.72 1.12 1.01 0.00 0.00 176.35 178.95 1wvz h HIS 22 N 9.16 0.00 -3.50 0.29 2.07 -0.40 -3.35 115.15 119.42 1wvz h HIS 22 Ca 0.02 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.99 1wvz h HIS 22 Cb 1.04 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.95 1wvz h HIS 22 CO 1.12 0.00 0.97 0.00 -3.07 0.00 0.00 177.93 176.94 1wvz s ALA 23 N -4.60 3.08 -0.01 6.11 0.00 -1.26 0.18 121.76 125.26 1wvz s ALA 23 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1wvz s ALA 23 Cb 0.16 -3.95 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 1wvz s ALA 23 CO 0.56 -2.41 -0.07 0.08 0.00 0.00 0.00 175.76 173.92 1wvz s VAL 24 N 4.78 0.61 -0.05 0.00 1.01 -0.06 -4.83 120.40 121.87 1wvz s VAL 24 Ca 0.49 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1wvz s VAL 24 Cb -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1wvz s VAL 24 CO 0.30 0.18 1.04 -2.16 0.00 0.00 0.00 175.10 174.47 1wvz s PRO 25 N -0.03 4.46 0.39 2.72 0.04 -1.26 -0.58 135.00 140.74 1wvz s PRO 25 Ca 0.01 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 1wvz s PRO 25 Cb -0.05 -3.50 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 1wvz s PRO 25 CO -0.00 -0.24 1.05 0.00 0.04 0.00 0.00 177.00 177.85 1wvz s ALA 26 N 1.63 3.10 -2.02 8.56 0.00 -0.55 -3.27 121.76 129.21 1wvz s ALA 26 Ca 0.51 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1wvz s ALA 26 Cb -0.21 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1wvz s ALA 26 CO 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.78 1wvz n ALA 27 N -0.03 -0.40 -2.58 0.00 0.00 -1.26 -4.97 120.51 111.27 1wvz n ALA 27 Ca 0.05 0.28 -0.27 0.00 0.00 0.00 0.00 53.44 53.50 1wvz n ALA 27 Cb 0.49 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.57 3.69 0.35 0.00 2.47 -1.20 -4.89 114.94 112.80 1wvz s ASN 28 Ca 0.00 -1.33 -0.25 0.00 0.42 0.00 0.00 52.86 51.70 1wvz s ASN 28 Cb 0.00 -0.36 -0.10 0.00 -1.45 0.00 0.00 41.25 39.34 1wvz s ASN 28 CO 0.00 -0.41 0.97 0.42 -3.72 0.00 0.00 177.10 174.36 1wvz s THR 29 N -2.74 4.12 -0.17 -5.21 -4.23 -1.26 -3.89 115.64 102.25 1wvz s THR 29 Ca 0.34 1.69 -0.07 0.00 -1.18 0.00 0.00 61.69 62.48 1wvz s THR 29 Cb 0.08 -3.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1wvz s THR 29 CO 0.17 0.07 0.05 -0.69 -0.54 0.00 0.00 174.62 173.68 1wvz s VAL 30 N -1.68 4.69 -0.27 2.29 1.01 0.39 -4.94 120.40 121.90 1wvz s VAL 30 Ca 0.53 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 1wvz s VAL 30 Cb -0.18 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1wvz s VAL 30 CO 0.24 0.48 0.61 -0.75 0.00 0.00 0.00 175.10 175.68 1wvz s LYS 31 N 0.24 4.04 -0.25 2.72 2.20 -1.26 -1.16 119.74 126.27 1wvz s LYS 31 Ca 0.03 0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1wvz s LYS 31 Cb -0.12 -3.67 -0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1wvz s LYS 31 CO 0.01 -0.45 0.01 0.12 -0.36 0.00 0.00 175.35 174.68 1wvz s PHE 32 N 2.51 3.05 -0.10 4.03 5.36 -0.30 -4.94 117.98 127.58 1wvz s PHE 32 Ca 0.25 -0.92 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1wvz s PHE 32 Cb -0.15 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 1wvz s PHE 32 CO 0.10 -0.54 -0.16 1.03 -1.46 0.00 0.00 175.22 174.19 1wvz s ARG 33 N 1.49 3.06 -0.39 10.12 1.81 -1.26 -1.08 118.95 132.71 1wvz s ARG 33 Ca 0.04 -0.74 0.10 0.00 -1.72 0.00 0.00 55.73 53.42 1wvz s ARG 33 Cb -0.15 -2.48 0.39 0.00 -0.45 0.00 0.00 34.95 32.25 1wvz s ARG 33 CO -0.00 0.32 1.24 0.00 -0.68 0.00 0.00 175.30 176.17 1wvz s PRO 35 N -0.45 4.46 -0.24 0.00 0.04 -0.87 -4.07 135.00 133.87 1wvz s PRO 35 Ca 0.23 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 1wvz s PRO 35 Cb 0.39 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 31.75 1wvz s PRO 35 CO -0.06 -0.17 0.53 0.00 0.04 0.00 0.00 177.00 177.34 1wvz s ALA 36 N 0.46 -1.53 0.01 8.56 0.00 -1.26 -2.49 121.76 125.50 1wvz s ALA 36 Ca 0.56 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 54.12 1wvz s ALA 36 Cb -0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1wvz s ALA 36 CO 0.33 -0.70 1.30 0.20 0.00 0.00 0.00 175.76 176.89 1wvz s GLY 37 N 2.42 2.05 0.00 0.00 0.00 0.41 -4.44 107.32 107.77 1wvz s GLY 37 Ca -0.05 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1wvz s GLY 37 CO -0.16 2.31 0.00 0.61 0.00 0.00 0.00 173.10 175.87 1wvz n GLY 38 N 3.46 2.11 3.88 0.20 0.00 -1.26 0.14 105.19 113.73 1wvz n GLY 38 Ca 0.11 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1wvz n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvz s ASN 39 N 2.00 4.26 0.00 1.61 0.02 -1.12 -4.94 114.94 116.77 1wvz s ASN 39 Ca 0.00 0.79 0.00 0.00 -1.02 0.00 0.00 52.86 52.63 1wvz s ASN 39 Cb 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 40.00 1wvz s ASN 39 CO 0.00 -2.06 0.81 -0.81 0.02 0.00 0.00 177.10 175.06 1wvz n PRO 40 N -3.42 0.94 -3.55 -0.60 -0.04 -1.26 -4.32 135.00 122.74 1wvz n PRO 40 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1wvz n PRO 40 Cb 0.61 -1.12 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.36 1.99 -3.73 0.54 1.56 -1.25 -5.03 117.12 110.84 1wvz n MET 41 Ca 0.00 -4.38 -0.37 0.00 -0.27 0.00 0.00 57.70 52.68 1wvz n MET 41 Cb 0.06 -2.13 -0.11 0.00 2.15 0.00 0.00 33.22 33.19 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 -1.87 3.92 -0.41 2.12 0.04 -1.26 -4.45 135.00 133.09 1wvz s PRO 42 Ca 0.34 -0.35 -0.07 0.00 0.04 0.00 0.00 61.00 60.97 1wvz s PRO 42 Cb 0.08 -3.46 0.09 0.00 0.04 0.00 0.00 34.50 31.25 1wvz s PRO 42 CO -0.08 -0.03 0.24 0.99 0.04 0.00 0.00 177.00 178.15 1wvz s THR 43 N 1.26 3.85 0.08 1.26 2.01 -0.12 -4.90 115.64 119.08 1wvz s THR 43 Ca 0.06 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.50 1wvz s THR 43 Cb -0.14 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1wvz s THR 43 CO 0.05 -0.57 -0.19 0.00 -0.69 0.00 0.00 174.62 173.22 1wvz s MET 44 N 1.32 1.88 -0.04 4.92 0.23 -1.26 0.18 119.30 126.54 1wvz s MET 44 Ca 0.04 -1.10 0.02 0.00 -1.03 0.00 0.00 55.69 53.63 1wvz s MET 44 Cb -0.23 -2.12 -0.03 0.00 -1.53 0.00 0.00 34.83 30.92 1wvz s MET 44 CO -0.00 0.51 -0.09 1.03 -2.03 0.00 0.00 175.02 174.43 1wvz s ARG 45 N -1.75 2.61 -0.29 3.16 1.81 0.23 -4.92 118.95 119.79 1wvz s ARG 45 Ca 0.16 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.40 1wvz s ARG 45 Cb -0.10 -2.50 -0.05 0.00 -0.45 0.00 0.00 34.95 31.85 1wvz s ARG 45 CO 0.07 0.63 0.20 -1.58 -0.68 0.00 0.00 175.30 173.94 1wvz s TRP 46 N -0.86 3.22 -0.07 -0.53 0.51 -1.26 -2.47 118.94 117.49 1wvz s TRP 46 Ca 0.14 0.07 -0.01 0.00 -2.12 0.00 0.00 56.10 54.18 1wvz s TRP 46 Cb -0.11 -2.39 0.03 0.00 -0.81 0.00 0.00 33.47 30.18 1wvz s TRP 46 CO 0.03 -0.19 -0.01 -1.17 -0.51 0.00 0.00 176.95 175.10 1wvz s LEU 47 N 1.75 0.76 -0.12 2.99 2.96 -0.95 -2.55 118.68 123.53 1wvz s LEU 47 Ca 0.07 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1wvz s LEU 47 Cb -0.16 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.08 1wvz s LEU 47 CO 0.11 -0.16 -0.12 -1.59 -1.32 0.00 0.00 176.35 173.26 1wvz s LYS 48 N 1.76 1.96 -1.62 1.98 -2.85 0.37 0.64 119.74 121.98 1wvz s LYS 48 Ca 0.02 -0.44 -0.18 0.00 -1.00 0.00 0.00 55.97 54.38 1wvz s LYS 48 Cb -0.13 -1.80 0.15 0.00 -2.06 0.00 0.00 37.83 33.99 1wvz s LYS 48 CO -0.05 -0.18 0.72 -1.71 0.10 0.00 0.00 175.35 174.23 1wvz n ASN 49 N 4.59 -3.21 -0.10 0.03 5.15 -0.09 0.15 115.26 121.77 1wvz n ASN 49 Ca -0.17 -0.90 -0.01 0.00 -0.60 0.00 0.00 54.58 52.90 1wvz n ASN 49 Cb 0.50 -2.65 -0.01 0.00 -0.53 0.00 0.00 39.78 37.10 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 -1.30 0.49 3.31 8.20 0.00 -1.26 -5.04 105.19 109.59 1wvz n GLY 50 Ca 0.07 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.98 2.27 0.03 1.61 2.36 0.39 -5.13 119.74 119.29 1wvz s LYS 51 Ca 0.00 -0.91 0.01 0.00 -2.55 0.00 0.00 55.97 52.52 1wvz s LYS 51 Cb 0.00 -2.10 -0.04 0.00 -1.05 0.00 0.00 37.83 34.64 1wvz s LYS 51 CO 0.00 0.51 0.09 -1.83 1.55 0.00 0.00 175.35 175.67 1wvz s GLU 52 N -0.48 3.03 -0.02 4.03 -1.05 -1.26 0.14 118.70 123.08 1wvz s GLU 52 Ca 0.06 -0.56 0.01 0.00 -0.15 0.00 0.00 54.97 54.33 1wvz s GLU 52 Cb -0.11 -2.82 0.02 0.00 -0.44 0.00 0.00 34.13 30.77 1wvz s GLU 52 CO 0.01 0.61 -0.01 0.12 0.95 0.00 0.00 175.26 176.94 1wvz s PHE 53 N -1.29 0.32 0.00 4.83 2.19 -1.06 -4.98 117.98 118.00 1wvz s PHE 53 Ca 0.26 -0.02 -0.18 0.00 0.33 0.00 0.00 56.93 57.32 1wvz s PHE 53 Cb -0.12 -0.36 -0.06 0.00 -1.31 0.00 0.00 43.02 41.18 1wvz s PHE 53 CO 0.18 -0.10 0.51 0.21 1.83 0.00 0.00 175.22 177.85 1wvz s LYS 54 N 0.72 4.16 0.62 10.12 2.20 -1.25 -4.42 119.74 131.89 1wvz s LYS 54 Ca -0.07 0.59 0.35 0.00 -0.36 0.00 0.00 55.97 56.47 1wvz s LYS 54 Cb -0.10 -3.29 1.98 0.00 -1.51 0.00 0.00 37.83 34.91 1wvz s LYS 54 CO -0.01 0.52 2.24 -0.56 -0.36 0.00 0.00 175.35 177.18 1wvz h GLN 55 N 5.17 0.00 -0.01 4.03 3.07 -2.00 0.51 115.11 125.88 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 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 1wvz h GLN 55 CO 0.66 0.00 -0.01 0.39 0.09 0.00 0.00 178.83 179.96 1wvz n GLU 56 N -3.51 1.34 -3.69 0.06 4.71 -1.26 -4.72 120.64 113.57 1wvz n GLU 56 Ca -0.02 -0.54 -0.15 0.00 -0.01 0.00 0.00 57.16 56.45 1wvz n GLU 56 Cb 0.15 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 28.95 1wvz n GLU 56 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1wvz s HIS 57 N -2.03 -0.25 -0.00 -0.32 3.76 0.18 -5.00 115.29 111.63 1wvz s HIS 57 Ca 0.41 0.70 -0.24 0.00 -0.15 0.00 0.00 55.06 55.78 1wvz s HIS 57 Cb 0.21 -0.14 0.05 0.00 1.11 0.00 0.00 32.58 33.82 1wvz s HIS 57 CO 0.36 -0.27 0.54 1.03 -0.85 0.00 0.00 174.74 175.55 1wvz s ARG 58 N 1.99 0.97 -0.61 1.40 0.52 -1.26 -3.89 118.95 118.07 1wvz s ARG 58 Ca -0.01 -0.03 -0.27 0.00 -0.52 0.00 0.00 55.73 54.91 1wvz s ARG 58 Cb -0.12 0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 1wvz s ARG 58 CO -0.07 -0.32 1.82 0.42 0.02 0.00 0.00 175.30 177.18 1wvz s ILE 59 N -1.72 3.38 0.00 1.52 1.01 -1.19 -2.47 121.20 121.74 1wvz s ILE 59 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1wvz s ILE 59 Cb -0.01 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1wvz s ILE 59 CO 0.04 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.65 1wvz n GLY 60 N 5.67 0.36 0.00 6.18 0.00 -1.26 -4.15 105.19 111.98 1wvz n GLY 60 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.71 3.50 2.75 -0.02 0.00 -1.03 -4.99 105.19 103.67 1wvz n GLY 61 Ca 0.00 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 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 0.26 -0.04 1.61 -0.85 -1.26 -4.23 117.35 110.79 1wvz s TYR 62 Ca 0.00 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.65 1wvz s TYR 62 Cb 0.00 -0.50 0.01 0.00 0.38 0.00 0.00 41.96 41.84 1wvz s TYR 62 CO 0.00 -0.19 -0.12 0.15 -1.52 0.00 0.00 175.55 173.87 1wvz s LYS 63 N 1.68 1.38 -0.00 -3.49 1.02 -1.06 -5.04 119.74 114.23 1wvz s LYS 63 Ca -0.01 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1wvz s LYS 63 Cb -0.13 -1.21 -0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1wvz s LYS 63 CO -0.03 0.10 -0.03 0.14 -0.92 0.00 0.00 175.35 174.62 1wvz s VAL 64 N 0.36 0.20 -0.34 3.17 -7.23 -1.26 -0.69 120.40 114.61 1wvz s VAL 64 Ca -0.08 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.79 1wvz s VAL 64 Cb -0.12 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 1wvz s VAL 64 CO 0.02 0.04 0.48 -0.60 -0.31 0.00 0.00 175.10 174.73 1wvz s ARG 65 N -0.09 3.66 -0.02 4.82 3.00 0.74 -4.43 118.95 126.64 1wvz s ARG 65 Ca 0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 55.73 54.57 1wvz s ARG 65 Cb -0.01 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 31.15 1wvz s ARG 65 CO -0.00 -0.58 0.00 -1.71 0.00 0.00 0.00 175.30 173.01 1wvz n ASN 66 N 5.64 -1.05 0.00 -2.12 5.15 -1.26 -2.82 115.26 118.79 1wvz n ASN 66 Ca -0.06 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1wvz n ASN 66 Cb 0.49 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1wvz n GLN 67 N -2.49 0.00 -3.88 1.20 0.00 -1.26 -4.74 117.38 106.21 1wvz n GLN 67 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 1wvz n GLN 67 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.60 1wvz n GLN 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wvz s HIS 68 N 0.00 3.20 0.00 3.69 2.46 -1.13 -4.79 115.29 118.72 1wvz s HIS 68 Ca 0.00 -1.62 0.00 0.00 0.47 0.00 0.00 55.06 53.91 1wvz s HIS 68 Cb 0.00 -2.14 0.00 0.00 -0.13 0.00 0.00 32.58 30.31 1wvz s HIS 68 CO 0.00 -0.75 0.00 0.91 -2.47 0.00 0.00 174.74 172.43 1wvz n TRP 69 N 4.69 0.00 -3.86 3.88 8.01 -1.25 -4.74 117.44 124.16 1wvz n TRP 69 Ca -0.14 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.94 1wvz n TRP 69 Cb 0.45 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.65 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 -3.56 -0.00 0.00 -0.99 1.04 -1.26 -2.05 113.70 106.88 1wvz s SER 70 Ca 0.00 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.26 1wvz s SER 70 Cb 0.00 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wvz s SER 70 CO 0.00 -0.31 0.11 -1.48 0.98 0.00 0.00 173.24 172.54 1wvz s LEU 71 N -1.10 1.68 -0.19 2.42 2.34 -0.24 -0.18 118.68 123.41 1wvz s LEU 71 Ca -0.12 -0.25 -0.00 0.00 0.06 0.00 0.00 54.13 53.82 1wvz s LEU 71 Cb -0.06 0.56 0.01 0.00 -0.56 0.00 0.00 46.19 46.14 1wvz s LEU 71 CO 0.01 -0.35 -0.16 -0.51 -1.06 0.00 0.00 176.35 174.29 1wvz s ILE 72 N -1.35 2.41 -0.07 1.48 2.07 0.13 -1.15 121.20 124.73 1wvz s ILE 72 Ca -0.14 -0.82 0.04 0.00 -1.41 0.00 0.00 60.65 58.31 1wvz s ILE 72 Cb -0.08 -2.04 0.00 0.00 0.13 0.00 0.00 42.46 40.48 1wvz s ILE 72 CO 0.01 0.51 -0.19 0.00 -1.91 0.00 0.00 174.94 173.36 1wvz s MET 73 N 1.31 2.29 -0.33 3.50 0.23 -0.31 -2.56 119.30 123.43 1wvz s MET 73 Ca 0.04 -0.70 -0.15 0.00 -1.03 0.00 0.00 55.69 53.86 1wvz s MET 73 Cb -0.13 -1.85 -0.02 0.00 -1.53 0.00 0.00 34.83 31.30 1wvz s MET 73 CO -0.10 0.19 0.36 -2.00 -2.03 0.00 0.00 175.02 171.45 1wvz s GLU 74 N 0.25 3.66 -0.34 3.16 2.12 -1.26 0.15 118.70 126.44 1wvz s GLU 74 Ca -0.11 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1wvz s GLU 74 Cb -0.15 -3.77 0.11 0.00 0.26 0.00 0.00 34.13 30.58 1wvz s GLU 74 CO 0.05 -0.47 0.13 -1.54 -0.54 0.00 0.00 175.26 172.89 1wvz s SER 75 N 1.72 3.92 0.01 -1.70 1.04 -1.25 -3.16 113.70 114.28 1wvz s SER 75 Ca 0.12 -1.89 -0.13 0.00 0.48 0.00 0.00 55.95 54.52 1wvz s SER 75 Cb -0.16 -0.90 -0.34 0.00 0.10 0.00 0.00 66.02 64.72 1wvz s SER 75 CO 0.11 -0.38 0.90 -0.37 0.98 0.00 0.00 173.24 174.49 1wvz h VAL 76 N 6.15 1.18 0.04 5.02 -1.51 -1.85 -3.18 116.25 122.10 1wvz h VAL 76 Ca -0.10 -2.67 -0.30 0.00 -1.23 0.00 0.00 66.70 62.41 1wvz h VAL 76 Cb 0.99 2.95 -0.03 0.00 -2.13 0.00 0.00 31.29 33.07 1wvz h VAL 76 CO 0.47 0.83 -1.62 0.52 -1.23 0.00 0.00 177.57 176.53 1wvz n VAL 77 N -3.66 1.61 0.33 7.19 0.31 -1.26 -4.14 118.33 118.71 1wvz n VAL 77 Ca -0.19 -0.27 0.21 0.00 -0.01 0.00 0.00 64.34 64.08 1wvz n VAL 77 Cb 1.09 -1.92 1.10 0.00 -0.91 0.00 0.00 33.84 33.21 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 -0.63 0.00 -0.26 5.55 0.11 -1.96 -1.89 132.00 132.92 1wvz h PRO 78 Ca -0.41 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.78 1wvz h PRO 78 Cb 1.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.68 1wvz h PRO 78 CO -0.13 0.00 0.41 1.03 -0.21 0.00 0.00 178.00 179.10 1wvz h SER 79 N 0.00 0.00 -0.70 -2.05 0.87 -1.71 0.13 113.55 110.09 1wvz h SER 79 Ca 0.01 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.74 1wvz h SER 79 Cb 0.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1wvz h SER 79 CO -0.00 0.00 0.49 -0.78 -0.53 0.00 0.00 176.83 176.01 1wvz h ASP 80 N 0.00 0.20 -3.59 6.23 3.58 -1.61 -3.36 116.42 117.87 1wvz h ASP 80 Ca 0.12 0.01 -0.70 0.00 0.42 0.00 0.00 57.03 56.89 1wvz h ASP 80 Cb 0.94 -0.03 -0.22 0.00 1.72 0.00 0.00 39.33 41.74 1wvz h ASP 80 CO -0.00 0.10 -0.49 -1.59 -2.88 0.00 0.00 179.24 174.37 1wvz s LYS 81 N -5.21 3.06 -0.97 0.28 -2.85 0.47 -4.81 119.74 109.71 1wvz s LYS 81 Ca -0.06 -0.93 -0.02 0.00 -1.00 0.00 0.00 55.97 53.95 1wvz s LYS 81 Cb 0.21 -3.78 0.28 0.00 -2.06 0.00 0.00 37.83 32.48 1wvz s LYS 81 CO 0.76 -0.62 2.04 0.41 0.10 0.00 0.00 175.35 178.03 1wvz n GLY 82 N 5.05 5.69 2.93 0.59 0.00 -1.26 -4.88 105.19 113.32 1wvz n GLY 82 Ca -0.12 -2.42 -0.30 0.00 0.00 0.00 0.00 46.02 43.17 1wvz n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wvz s ASN 83 N -0.90 3.73 -0.17 1.61 3.84 -1.26 -1.44 114.94 120.35 1wvz s ASN 83 Ca 0.47 -1.11 -0.02 0.00 0.21 0.00 0.00 52.86 52.40 1wvz s ASN 83 Cb 0.28 -1.14 -0.01 0.00 -0.55 0.00 0.00 41.25 39.82 1wvz s ASN 83 CO -0.22 -0.23 -0.08 -0.31 -2.79 0.00 0.00 177.10 173.47 1wvz s TYR 84 N 1.43 2.90 -0.15 0.43 2.02 -1.04 -0.91 117.35 122.02 1wvz s TYR 84 Ca -0.05 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1wvz s TYR 84 Cb -0.18 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1wvz s TYR 84 CO -0.06 -0.34 -0.14 0.99 -1.57 0.00 0.00 175.55 174.43 1wvz s THR 85 N 0.84 1.55 -0.34 -0.71 2.01 0.21 0.56 115.64 119.76 1wvz s THR 85 Ca -0.03 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 1wvz s THR 85 Cb -0.15 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.92 1wvz s THR 85 CO 0.01 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 174.53 1wvz s VAL 87 N 1.51 3.74 -0.36 0.00 1.01 -1.03 -1.15 120.40 124.12 1wvz s VAL 87 Ca 0.01 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.28 1wvz s VAL 87 Cb -0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1wvz s VAL 87 CO 0.05 -0.48 0.28 0.68 0.00 0.00 0.00 175.10 175.63 1wvz s VAL 88 N 1.31 5.26 0.02 2.92 -7.23 -0.79 0.75 120.40 122.65 1wvz s VAL 88 Ca 0.03 -0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1wvz s VAL 88 Cb -0.22 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.88 1wvz s VAL 88 CO -0.00 -0.11 0.14 -0.70 -0.31 0.00 0.00 175.10 174.12 1wvz s GLU 89 N 1.76 3.23 0.22 4.82 2.12 0.49 -1.54 118.70 129.80 1wvz s GLU 89 Ca 0.07 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1wvz s GLU 89 Cb -0.18 -2.95 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 1wvz s GLU 89 CO 0.11 0.63 0.27 0.27 -0.54 0.00 0.00 175.26 176.00 1wvz n ASN 90 N 0.80 -0.73 0.21 -1.70 6.94 0.15 -0.94 115.26 119.99 1wvz n ASN 90 Ca -0.10 -2.30 0.15 0.00 -0.02 0.00 0.00 54.58 52.31 1wvz n ASN 90 Cb 0.52 1.45 0.61 0.00 -2.36 0.00 0.00 39.78 40.00 1wvz n ASN 90 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1wvz h GLU 91 N 0.00 0.00 -0.01 -3.83 4.81 -1.86 -2.78 114.58 110.90 1wvz h GLU 91 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1wvz h GLU 91 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1wvz h GLU 91 CO 0.23 0.00 -0.43 0.66 -0.73 0.00 0.00 179.01 178.75 1wvz n TYR 92 N -2.70 0.00 0.00 0.92 4.02 -1.26 -5.01 117.16 113.12 1wvz n TYR 92 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1wvz n TYR 92 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 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 1.31 1.56 3.06 2.72 0.00 -1.05 -5.01 105.19 107.78 1wvz n GLY 93 Ca 0.08 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 2.18 0.15 1.61 0.01 -1.26 0.31 113.70 116.70 1wvz s SER 94 Ca 0.00 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.96 1wvz s SER 94 Cb 0.00 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 1wvz s SER 94 CO 0.00 0.05 -0.05 -0.63 0.41 0.00 0.00 173.24 173.02 1wvz s ILE 95 N 0.71 3.53 -0.06 1.44 1.01 -0.59 -4.97 121.20 122.27 1wvz s ILE 95 Ca -0.13 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.19 1wvz s ILE 95 Cb -0.16 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1wvz s ILE 95 CO 0.03 -0.03 -0.23 0.20 0.00 0.00 0.00 174.94 174.92 1wvz s ASN 96 N -2.65 2.81 -0.03 3.58 0.01 -1.26 -1.88 114.94 115.52 1wvz s ASN 96 Ca 0.25 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1wvz s ASN 96 Cb -0.10 -0.80 0.01 0.00 0.41 0.00 0.00 41.25 40.77 1wvz s ASN 96 CO 0.16 0.21 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.93 1wvz s HIS 97 N -0.08 0.59 0.08 2.20 3.76 -0.30 -4.99 115.29 116.55 1wvz s HIS 97 Ca -0.04 -0.13 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1wvz s HIS 97 Cb -0.13 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1wvz s HIS 97 CO 0.04 -0.11 -0.10 0.99 -0.85 0.00 0.00 174.74 174.70 1wvz s THR 98 N 0.55 3.36 -0.02 1.30 2.01 -1.26 0.34 115.64 121.92 1wvz s THR 98 Ca -0.07 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 60.75 1wvz s THR 98 Cb -0.10 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.88 1wvz s THR 98 CO -0.00 0.17 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.77 1wvz s TYR 99 N -1.16 0.33 -0.58 4.92 2.02 0.19 -4.91 117.35 118.16 1wvz s TYR 99 Ca 0.20 -0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.64 1wvz s TYR 99 Cb -0.11 -0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.17 1wvz s TYR 99 CO 0.12 -0.08 0.92 -1.01 -1.57 0.00 0.00 175.55 173.93 1wvz s HIS 100 N 0.54 2.78 0.08 2.71 3.76 -1.26 -2.51 115.29 121.38 1wvz s HIS 100 Ca -0.05 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 1wvz s HIS 100 Cb -0.08 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.48 1wvz s HIS 100 CO -0.01 -1.42 -0.17 -0.51 -0.85 0.00 0.00 174.74 171.78 1wvz s LEU 101 N 3.86 2.69 -0.01 0.89 2.01 -0.52 0.36 118.68 127.96 1wvz s LEU 101 Ca 0.26 -0.48 0.01 0.00 0.01 0.00 0.00 54.13 53.93 1wvz s LEU 101 Cb -0.15 -1.55 0.00 0.00 0.01 0.00 0.00 46.19 44.50 1wvz s LEU 101 CO 0.15 0.22 -0.03 -0.62 1.01 0.00 0.00 176.35 177.08 1wvz s ASP 102 N -1.80 0.40 0.06 2.29 -1.08 0.47 -4.00 116.67 113.01 1wvz s ASP 102 Ca 0.17 -0.06 -0.30 0.00 -0.52 0.00 0.00 52.55 51.84 1wvz s ASP 102 Cb -0.11 -0.07 -0.05 0.00 -1.46 0.00 0.00 42.92 41.24 1wvz s ASP 102 CO 0.08 0.02 1.02 0.54 0.52 0.00 0.00 175.17 177.35 1wvz s VAL 103 N 0.07 4.54 0.00 1.11 0.11 -1.26 -0.88 120.40 124.09 1wvz s VAL 103 Ca -0.00 1.94 0.00 0.00 -2.93 0.00 0.00 61.98 60.98 1wvz s VAL 103 Cb -0.03 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 1wvz s VAL 103 CO -0.00 0.21 0.22 0.52 -3.33 0.00 0.00 175.10 172.72