#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 0.51 -4.65 6.41 3.02 -1.26 -4.86 115.26 114.43 1wvz n ASN 5 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1wvz n ASN 5 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 2.18 4.22 -0.15 3.52 3.01 -1.26 -4.28 119.74 126.99 1wvz s LYS 6 Ca 0.00 1.24 -0.06 0.00 -1.01 0.00 0.00 55.97 56.14 1wvz s LYS 6 Cb 0.00 -3.65 0.07 0.00 -1.01 0.00 0.00 37.83 33.24 1wvz s LYS 6 CO 0.00 -0.63 0.32 1.03 0.51 0.00 0.00 175.35 176.58 1wvz s ARG 7 N 3.16 0.22 0.03 1.68 3.00 -1.26 -4.41 118.95 121.38 1wvz s ARG 7 Ca 0.42 0.82 -0.38 0.00 0.00 0.00 0.00 55.73 56.59 1wvz s ARG 7 Cb -0.15 0.07 -0.19 0.00 0.00 0.00 0.00 34.95 34.68 1wvz s ARG 7 CO 0.07 -0.26 1.02 0.00 0.00 0.00 0.00 175.30 176.14 1wvz n ALA 8 N 5.19 -3.32 -2.20 2.13 0.00 -1.26 -2.66 120.51 118.39 1wvz n ALA 8 Ca -0.10 0.57 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 1wvz n ALA 8 Cb 0.50 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.10 4.24 0.20 0.00 0.04 -1.26 -4.54 135.00 133.58 1wvz s PRO 9 Ca 0.87 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1wvz s PRO 9 Cb -1.20 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 30.16 1wvz s PRO 9 CO 0.56 0.54 0.81 0.71 0.04 0.00 0.00 177.00 179.66 1wvz s TYR 10 N -1.28 3.86 0.51 0.56 2.02 0.42 -4.76 117.35 118.68 1wvz s TYR 10 Ca 0.35 1.65 -0.22 0.00 -0.37 0.00 0.00 57.07 58.48 1wvz s TYR 10 Cb -0.19 -2.79 -0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1wvz s TYR 10 CO 0.21 0.45 1.24 -1.58 -1.57 0.00 0.00 175.55 174.29 1wvz s TRP 11 N -1.26 2.59 0.00 2.71 0.52 -1.26 -0.09 118.94 122.14 1wvz s TRP 11 Ca 0.39 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.99 1wvz s TRP 11 Cb -0.22 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.56 1wvz s TRP 11 CO 0.26 -2.10 0.00 0.25 0.02 0.00 0.00 176.95 175.38 1wvz n THR 12 N -0.89 0.00 -3.65 2.01 -2.24 -0.97 -4.78 114.28 103.77 1wvz n THR 12 Ca 0.10 0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.62 1wvz n THR 12 Cb 0.47 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 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 -4.81 6.57 0.08 3.42 -0.87 -1.26 -5.05 114.94 113.02 1wvz s ASN 13 Ca 0.00 0.68 -0.31 0.00 -1.57 0.00 0.00 52.86 51.66 1wvz s ASN 13 Cb 0.00 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 39.02 1wvz s ASN 13 CO 0.00 0.17 1.50 0.42 -2.57 0.00 0.00 177.10 176.62 1wvz s THR 14 N -1.43 3.21 -0.28 1.60 -4.23 -1.26 -4.78 115.64 108.46 1wvz s THR 14 Ca 0.33 0.75 0.22 0.00 -1.18 0.00 0.00 61.69 61.82 1wvz s THR 14 Cb -0.13 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1wvz s THR 14 CO 0.19 0.02 1.63 1.05 -0.54 0.00 0.00 174.62 176.97 1wvz h GLU 15 N 7.53 0.00 0.00 3.99 9.09 -1.95 -2.90 114.58 130.34 1wvz h GLU 15 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1wvz h GLU 15 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1wvz h GLU 15 CO 0.90 0.12 0.00 0.36 0.05 0.00 0.00 179.01 180.45 1wvz n LYS 16 N -3.15 0.08 -0.12 1.06 2.85 -1.26 -0.93 118.16 116.70 1wvz n LYS 16 Ca 0.03 0.17 0.09 0.00 -1.05 0.00 0.00 58.31 57.55 1wvz n LYS 16 Cb 0.54 -1.62 0.15 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.76 2.02 -1.96 -1.58 2.81 -1.09 -4.61 117.12 110.96 1wvz n MET 17 Ca 0.05 -1.90 -0.01 0.00 -1.81 0.00 0.00 57.70 54.02 1wvz n MET 17 Cb 0.30 -1.38 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.06 0.23 0.00 0.03 2.13 -1.12 -5.02 120.64 117.95 1wvz n GLU 18 Ca 0.14 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1wvz n GLU 18 Cb 0.48 0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1wvz n GLU 18 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wvz n LYS 19 N -0.34 0.00 0.00 5.31 4.76 -0.11 -4.66 118.16 123.12 1wvz n LYS 19 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1wvz n LYS 19 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1wvz n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wvz n ARG 20 N -2.07 0.00 -2.15 1.97 1.74 -0.38 -4.32 116.66 111.46 1wvz n ARG 20 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1wvz n ARG 20 Cb 0.00 -0.23 -0.03 0.00 -1.02 0.00 0.00 32.46 31.18 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1wvz s LEU 21 N 0.00 3.37 0.17 0.55 2.96 -1.09 -1.91 118.68 122.74 1wvz s LEU 21 Ca 0.00 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1wvz s LEU 21 Cb 0.00 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1wvz s LEU 21 CO 0.00 -2.01 0.04 -2.28 -1.32 0.00 0.00 176.35 170.78 1wvz s HIS 22 N 7.61 1.13 -0.30 5.38 2.46 -1.08 -4.85 115.29 125.64 1wvz s HIS 22 Ca 0.65 -1.14 -0.15 0.00 0.47 0.00 0.00 55.06 54.89 1wvz s HIS 22 Cb -0.14 -0.64 -0.03 0.00 -0.13 0.00 0.00 32.58 31.65 1wvz s HIS 22 CO 0.25 -0.36 0.38 0.00 -2.47 0.00 0.00 174.74 172.53 1wvz s ALA 23 N -3.84 3.53 -0.38 1.58 0.00 -1.26 -2.34 121.76 119.06 1wvz s ALA 23 Ca 0.27 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1wvz s ALA 23 Cb 0.07 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.50 1wvz s ALA 23 CO 0.05 -0.84 0.16 0.08 0.00 0.00 0.00 175.76 175.20 1wvz s VAL 24 N 2.08 3.53 -0.01 0.00 1.01 -0.84 -4.95 120.40 121.22 1wvz s VAL 24 Ca 0.14 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1wvz s VAL 24 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1wvz s VAL 24 CO 0.11 -0.43 1.02 -2.16 0.00 0.00 0.00 175.10 173.64 1wvz s PRO 25 N 1.28 4.51 0.42 2.72 0.04 -1.26 -2.35 135.00 140.35 1wvz s PRO 25 Ca 0.02 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 1wvz s PRO 25 Cb -0.22 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.77 1wvz s PRO 25 CO -0.01 -0.14 1.44 0.00 0.04 0.00 0.00 177.00 178.34 1wvz n ALA 26 N 4.12 2.12 -1.07 8.56 0.00 -0.96 -2.21 120.51 131.08 1wvz n ALA 26 Ca 0.07 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 1wvz n ALA 26 Cb 0.50 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1wvz n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvz n ALA 27 N 0.06 -0.03 -2.56 0.00 0.00 -1.25 -5.02 120.51 111.71 1wvz n ALA 27 Ca 0.04 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1wvz n ALA 27 Cb 0.40 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.40 3.99 0.31 0.00 3.84 -0.94 -4.85 114.94 114.89 1wvz s ASN 28 Ca 0.00 -1.23 -0.27 0.00 0.21 0.00 0.00 52.86 51.58 1wvz s ASN 28 Cb 0.00 -0.42 -0.10 0.00 -0.55 0.00 0.00 41.25 40.18 1wvz s ASN 28 CO 0.00 -0.39 0.95 0.28 -2.79 0.00 0.00 177.10 175.16 1wvz s THR 29 N -2.64 4.15 -0.23 -5.21 -1.32 -1.26 -3.51 115.64 105.62 1wvz s THR 29 Ca 0.36 1.83 -0.14 0.00 -1.21 0.00 0.00 61.69 62.52 1wvz s THR 29 Cb 0.06 -4.04 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1wvz s THR 29 CO 0.19 0.19 0.34 -0.69 -2.21 0.00 0.00 174.62 172.44 1wvz s VAL 30 N -1.55 5.23 -0.24 5.08 1.01 0.33 -4.90 120.40 125.37 1wvz s VAL 30 Ca 0.49 0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 1wvz s VAL 30 Cb -0.20 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1wvz s VAL 30 CO 0.25 0.25 0.54 -0.75 0.00 0.00 0.00 175.10 175.39 1wvz s LYS 31 N 1.44 4.12 -0.11 2.72 2.36 -1.26 -1.39 119.74 127.62 1wvz s LYS 31 Ca 0.16 0.41 -0.01 0.00 -2.55 0.00 0.00 55.97 53.97 1wvz s LYS 31 Cb -0.15 -3.62 0.03 0.00 -1.05 0.00 0.00 37.83 33.04 1wvz s LYS 31 CO 0.08 -0.29 -0.04 -0.06 1.55 0.00 0.00 175.35 176.58 1wvz s PHE 32 N 2.10 1.22 0.15 4.03 0.08 -0.75 -4.99 117.98 119.82 1wvz s PHE 32 Ca 0.23 -0.60 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1wvz s PHE 32 Cb -0.16 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 1wvz s PHE 32 CO 0.09 -0.47 -0.01 1.03 -0.10 0.00 0.00 175.22 175.77 1wvz s ARG 33 N 1.79 2.43 -0.46 0.44 1.81 -1.26 -0.25 118.95 123.45 1wvz s ARG 33 Ca 0.04 -1.03 0.07 0.00 -1.72 0.00 0.00 55.73 53.09 1wvz s ARG 33 Cb -0.13 -2.41 0.28 0.00 -0.45 0.00 0.00 34.95 32.25 1wvz s ARG 33 CO -0.07 0.48 0.92 0.00 -0.68 0.00 0.00 175.30 175.95 1wvz s PRO 35 N 0.03 4.19 -0.28 0.00 0.04 -1.23 -3.96 135.00 133.79 1wvz s PRO 35 Ca 0.29 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 1wvz s PRO 35 Cb 0.26 -3.84 0.17 0.00 0.04 0.00 0.00 34.50 31.13 1wvz s PRO 35 CO -0.14 -0.80 0.49 0.00 0.04 0.00 0.00 177.00 176.59 1wvz s ALA 36 N 3.47 -1.71 0.22 8.56 0.00 -1.26 -2.29 121.76 128.76 1wvz s ALA 36 Ca 0.74 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 1wvz s ALA 36 Cb -0.36 -2.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 1wvz s ALA 36 CO 0.32 -1.43 0.95 0.20 0.00 0.00 0.00 175.76 175.80 1wvz s GLY 37 N 2.70 3.10 0.00 0.00 0.00 0.87 -4.56 107.32 109.42 1wvz s GLY 37 Ca 0.15 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1wvz s GLY 37 CO -0.21 1.25 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1wvz n GLY 38 N 1.58 -0.48 3.74 0.20 0.00 -1.26 0.16 105.19 109.13 1wvz n GLY 38 Ca -0.01 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 3.97 0.00 1.61 6.03 -1.09 -4.94 114.94 116.52 1wvz s ASN 39 Ca 0.00 1.77 0.29 0.00 -1.03 0.00 0.00 52.86 53.89 1wvz s ASN 39 Cb 0.00 -2.43 1.24 0.00 -3.03 0.00 0.00 41.25 37.03 1wvz s ASN 39 CO 0.00 -2.37 1.86 -0.81 -2.03 0.00 0.00 177.10 173.75 1wvz n PRO 40 N -3.73 1.01 -3.63 3.55 -0.04 -1.26 -4.39 135.00 126.51 1wvz n PRO 40 Ca 0.09 -0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 62.85 1wvz n PRO 40 Cb 0.53 -1.49 -0.09 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 -0.63 2.30 -3.20 0.54 0.00 -1.26 -5.08 117.12 109.78 1wvz n MET 41 Ca 0.17 -4.59 -0.39 0.00 0.00 0.00 0.00 57.70 52.89 1wvz n MET 41 Cb 0.28 -2.29 -0.06 0.00 0.00 0.00 0.00 33.22 31.15 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 -2.01 4.33 -0.31 2.12 0.04 -1.26 -4.64 135.00 133.26 1wvz s PRO 42 Ca 0.33 0.71 0.04 0.00 0.04 0.00 0.00 61.00 62.11 1wvz s PRO 42 Cb 0.05 -3.37 0.09 0.00 0.04 0.00 0.00 34.50 31.31 1wvz s PRO 42 CO -0.08 0.30 -0.01 0.99 0.04 0.00 0.00 177.00 178.24 1wvz s THR 43 N 0.04 2.22 0.05 1.26 2.01 -0.82 -4.98 115.64 115.42 1wvz s THR 43 Ca 0.31 -2.08 0.06 0.00 0.31 0.00 0.00 61.69 60.29 1wvz s THR 43 Cb -0.18 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1wvz s THR 43 CO 0.16 -0.39 -0.13 0.00 -0.69 0.00 0.00 174.62 173.57 1wvz s MET 44 N 0.98 2.17 0.08 4.92 0.23 -1.26 0.17 119.30 126.60 1wvz s MET 44 Ca 0.04 -0.95 0.07 0.00 -1.03 0.00 0.00 55.69 53.82 1wvz s MET 44 Cb -0.19 -2.29 -0.04 0.00 -1.53 0.00 0.00 34.83 30.78 1wvz s MET 44 CO -0.07 0.54 -0.13 1.03 -2.03 0.00 0.00 175.02 174.36 1wvz s ARG 45 N -1.69 2.09 -0.23 3.16 0.52 0.27 -4.93 118.95 118.14 1wvz s ARG 45 Ca 0.17 -1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1wvz s ARG 45 Cb -0.11 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 1wvz s ARG 45 CO 0.08 0.52 -0.03 -1.58 0.02 0.00 0.00 175.30 174.32 1wvz s TRP 46 N -1.12 2.98 -0.09 -0.53 0.51 -1.26 -2.44 118.94 116.98 1wvz s TRP 46 Ca 0.19 -0.91 0.01 0.00 -2.12 0.00 0.00 56.10 53.27 1wvz s TRP 46 Cb -0.11 -2.12 0.02 0.00 -0.81 0.00 0.00 33.47 30.45 1wvz s TRP 46 CO 0.11 -0.54 -0.10 -1.17 -0.51 0.00 0.00 176.95 174.74 1wvz s LEU 47 N 1.49 1.39 -0.16 2.99 1.98 -1.11 -2.60 118.68 122.66 1wvz s LEU 47 Ca 0.05 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 50.99 1wvz s LEU 47 Cb -0.15 -0.84 0.03 0.00 0.66 0.00 0.00 46.19 45.90 1wvz s LEU 47 CO -0.02 -0.05 -0.09 -1.59 -1.89 0.00 0.00 176.35 172.70 1wvz s LYS 48 N 1.27 1.85 -1.75 1.98 -2.85 0.44 0.23 119.74 120.92 1wvz s LYS 48 Ca -0.03 -0.59 -0.16 0.00 -1.00 0.00 0.00 55.97 54.19 1wvz s LYS 48 Cb -0.14 -2.10 0.15 0.00 -2.06 0.00 0.00 37.83 33.68 1wvz s LYS 48 CO -0.03 -0.36 0.47 -1.71 0.10 0.00 0.00 175.35 173.81 1wvz n ASN 49 N 4.80 -1.26 0.00 0.03 2.85 0.09 0.17 115.26 121.93 1wvz n ASN 49 Ca -0.14 -1.21 0.00 0.00 -0.11 0.00 0.00 54.58 53.12 1wvz n ASN 49 Cb 0.48 -1.87 0.00 0.00 1.24 0.00 0.00 39.78 39.64 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 -1.56 0.47 3.13 8.20 0.00 -1.26 -5.05 105.19 109.12 1wvz n GLY 50 Ca -0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.86 2.69 0.00 1.61 2.36 0.44 -5.13 119.74 119.86 1wvz s LYS 51 Ca 0.00 -0.74 0.02 0.00 -2.55 0.00 0.00 55.97 52.70 1wvz s LYS 51 Cb 0.00 -2.19 -0.04 0.00 -1.05 0.00 0.00 37.83 34.56 1wvz s LYS 51 CO 0.00 -0.01 -0.01 -1.83 1.55 0.00 0.00 175.35 175.05 1wvz s GLU 52 N 0.82 2.73 0.01 4.03 -1.05 -1.26 0.17 118.70 124.15 1wvz s GLU 52 Ca -0.08 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1wvz s GLU 52 Cb -0.16 -2.63 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 1wvz s GLU 52 CO -0.00 0.62 -0.02 0.12 0.95 0.00 0.00 175.26 176.92 1wvz s PHE 53 N -1.08 0.18 -0.05 4.83 5.36 -1.07 -5.01 117.98 121.13 1wvz s PHE 53 Ca 0.19 -0.28 -0.12 0.00 -0.96 0.00 0.00 56.93 55.76 1wvz s PHE 53 Cb -0.11 -0.12 -0.05 0.00 -0.34 0.00 0.00 43.02 42.39 1wvz s PHE 53 CO 0.10 -0.10 0.30 0.15 -1.46 0.00 0.00 175.22 174.22 1wvz s LYS 54 N -0.79 3.76 0.66 10.12 1.02 -1.26 -4.38 119.74 128.88 1wvz s LYS 54 Ca -0.08 0.19 0.41 0.00 0.02 0.00 0.00 55.97 56.51 1wvz s LYS 54 Cb -0.05 -3.22 2.24 0.00 -0.52 0.00 0.00 37.83 36.28 1wvz s LYS 54 CO -0.00 0.69 2.29 -0.56 -0.92 0.00 0.00 175.35 176.85 1wvz h GLN 55 N 4.93 0.00 0.00 1.68 -0.00 -2.00 0.02 115.11 119.74 1wvz h GLN 55 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.13 1wvz h GLN 55 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 1wvz h GLN 55 CO 0.61 0.00 0.00 0.93 -0.00 0.00 0.00 178.83 180.37 1wvz h GLU 56 N 0.00 0.00 -3.46 0.06 4.39 -2.03 -3.42 114.58 110.12 1wvz h GLU 56 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1wvz h GLU 56 Cb 0.13 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.44 1wvz h GLU 56 CO -0.00 0.00 -0.70 -1.01 -1.16 0.00 0.00 179.01 176.14 1wvz s HIS 57 N -3.62 -0.02 0.00 4.33 3.76 -0.01 -5.10 115.29 114.64 1wvz s HIS 57 Ca 0.01 0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 55.07 1wvz s HIS 57 Cb 0.09 -0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.59 1wvz s HIS 57 CO 0.47 -0.11 0.13 0.50 -0.85 0.00 0.00 174.74 174.89 1wvz s ARG 58 N 1.08 0.48 -0.76 1.40 3.00 -1.26 -4.37 118.95 118.52 1wvz s ARG 58 Ca -0.09 -0.41 -0.26 0.00 -1.00 0.00 0.00 55.73 53.97 1wvz s ARG 58 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 34.95 35.00 1wvz s ARG 58 CO -0.04 -0.11 1.85 0.42 0.00 0.00 0.00 175.30 177.42 1wvz s ILE 59 N -1.40 3.44 0.00 4.11 1.01 -1.25 -2.61 121.20 124.50 1wvz s ILE 59 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1wvz s ILE 59 Cb -0.08 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1wvz s ILE 59 CO 0.01 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.54 1wvz n GLY 60 N 6.24 0.58 0.00 6.18 0.00 -1.26 -4.29 105.19 112.64 1wvz n GLY 60 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 3.61 3.13 -0.02 0.00 -1.07 -5.02 105.19 103.81 1wvz n GLY 61 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.26 0.21 -0.17 1.61 1.13 -1.26 -3.85 117.35 112.77 1wvz s TYR 62 Ca 0.00 -0.55 -0.12 0.00 -1.41 0.00 0.00 57.07 54.99 1wvz s TYR 62 Cb 0.00 -0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.76 1wvz s TYR 62 CO 0.00 -0.39 0.43 0.21 -2.51 0.00 0.00 175.55 173.29 1wvz s LYS 63 N -2.85 0.45 -0.00 -3.49 2.47 -0.96 -5.00 119.74 110.37 1wvz s LYS 63 Ca -0.03 0.71 0.01 0.00 -1.56 0.00 0.00 55.97 55.10 1wvz s LYS 63 Cb 0.00 0.11 -0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1wvz s LYS 63 CO -0.06 -0.11 -0.02 0.14 0.16 0.00 0.00 175.35 175.46 1wvz s VAL 64 N 0.84 0.19 -0.36 4.02 -7.23 -1.26 0.10 120.40 116.70 1wvz s VAL 64 Ca -0.05 -0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 59.77 1wvz s VAL 64 Cb -0.06 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.72 1wvz s VAL 64 CO -0.06 0.04 0.73 -0.60 -0.31 0.00 0.00 175.10 174.89 1wvz s ARG 65 N -0.10 3.74 -0.70 4.82 6.06 0.98 -4.23 118.95 129.52 1wvz s ARG 65 Ca 0.00 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.47 1wvz s ARG 65 Cb -0.01 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.19 1wvz s ARG 65 CO -0.00 -0.80 0.00 0.09 -2.50 0.00 0.00 175.30 172.09 1wvz n ASN 66 N 6.27 -2.13 -1.21 -2.12 5.03 -1.26 -0.64 115.26 119.21 1wvz n ASN 66 Ca 0.02 0.23 -0.14 0.00 0.87 0.00 0.00 54.58 55.55 1wvz n ASN 66 Cb 0.48 -2.09 -0.06 0.00 -1.02 0.00 0.00 39.78 37.09 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wvz n GLN 67 N -1.88 -1.51 -2.71 3.52 6.02 -1.26 -4.79 117.38 114.77 1wvz n GLN 67 Ca -0.07 0.91 -0.04 0.00 -0.01 0.00 0.00 57.00 57.78 1wvz n GLN 67 Cb 0.34 -5.20 0.04 0.00 1.02 0.00 0.00 30.24 26.44 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 -2.06 -1.98 0.00 1.08 1.44 0.19 -4.80 115.22 109.09 1wvz n HIS 68 Ca -0.14 -1.02 0.00 0.00 -2.01 0.00 0.00 57.72 54.55 1wvz n HIS 68 Cb 0.54 1.27 0.00 0.00 0.12 0.00 0.00 29.99 31.93 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 2.40 0.00 -3.98 -1.40 -0.00 -1.19 -4.58 117.44 108.70 1wvz n TRP 69 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.53 1wvz n TRP 69 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.83 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 0.00 0.25 -0.06 5.87 1.04 -1.26 -0.98 113.70 118.56 1wvz s SER 70 Ca 0.00 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 1wvz s SER 70 Cb 0.00 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1wvz s SER 70 CO 0.00 -0.33 0.11 -1.48 0.98 0.00 0.00 173.24 172.52 1wvz s LEU 71 N -1.58 0.24 -0.31 2.42 2.34 0.65 -0.01 118.68 122.43 1wvz s LEU 71 Ca -0.14 0.21 -0.11 0.00 0.06 0.00 0.00 54.13 54.15 1wvz s LEU 71 Cb -0.08 0.11 -0.03 0.00 -0.56 0.00 0.00 46.19 45.63 1wvz s LEU 71 CO -0.02 -0.22 0.19 -0.51 -1.06 0.00 0.00 176.35 174.74 1wvz s ILE 72 N 1.95 5.09 -0.17 1.48 2.07 0.29 -1.81 121.20 130.09 1wvz s ILE 72 Ca 0.00 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 1wvz s ILE 72 Cb -0.12 -3.53 0.01 0.00 0.13 0.00 0.00 42.46 38.96 1wvz s ILE 72 CO -0.05 0.12 -0.18 -0.04 -1.91 0.00 0.00 174.94 172.88 1wvz s MET 73 N 1.71 3.06 -0.30 3.50 -1.94 -0.49 -2.26 119.30 122.58 1wvz s MET 73 Ca 0.06 -0.81 -0.27 0.00 -1.71 0.00 0.00 55.69 52.96 1wvz s MET 73 Cb -0.17 -2.59 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1wvz s MET 73 CO 0.09 -0.15 0.97 -2.00 -0.01 0.00 0.00 175.02 173.93 1wvz s GLU 74 N 1.17 4.06 -0.23 2.03 2.56 -1.25 0.12 118.70 127.16 1wvz s GLU 74 Ca 0.02 0.95 -0.02 0.00 0.00 0.00 0.00 54.97 55.92 1wvz s GLU 74 Cb -0.14 -3.72 0.07 0.00 2.00 0.00 0.00 34.13 32.34 1wvz s GLU 74 CO -0.09 -0.79 0.03 -1.54 -0.56 0.00 0.00 175.26 172.32 1wvz s SER 75 N 1.57 3.38 -0.20 -1.70 1.04 -1.23 -3.88 113.70 112.67 1wvz s SER 75 Ca 0.41 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 1wvz s SER 75 Cb -0.13 -0.78 -0.19 0.00 0.10 0.00 0.00 66.02 65.01 1wvz s SER 75 CO 0.13 -0.32 0.18 0.55 0.98 0.00 0.00 173.24 174.76 1wvz n VAL 76 N 4.92 1.57 -0.09 5.02 3.14 -1.26 -4.01 118.33 127.62 1wvz n VAL 76 Ca -0.08 -0.16 -0.23 0.00 -2.96 0.00 0.00 64.34 60.91 1wvz n VAL 76 Cb 0.45 -1.97 -0.12 0.00 -1.06 0.00 0.00 33.84 31.14 1wvz n VAL 76 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wvz n VAL 77 N -4.26 1.58 0.25 1.55 0.31 -1.26 -3.75 118.33 112.75 1wvz n VAL 77 Ca -0.34 -0.21 0.15 0.00 -0.01 0.00 0.00 64.34 63.92 1wvz n VAL 77 Cb 0.76 -1.94 0.80 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.77 0.00 -0.25 5.55 0.11 -1.96 -2.16 132.00 132.51 1wvz h PRO 78 Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 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 -0.19 0.00 0.43 1.03 -0.21 0.00 0.00 178.00 179.06 1wvz h SER 79 N 0.00 0.00 -0.88 -2.05 0.87 -1.73 0.13 113.55 109.89 1wvz h SER 79 Ca 0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1wvz h SER 79 Cb 0.20 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.10 1wvz h SER 79 CO 0.00 0.00 0.57 -0.78 -0.53 0.00 0.00 176.83 176.09 1wvz h ASP 80 N 0.00 0.61 -3.45 6.23 3.58 -1.68 -3.34 116.42 118.38 1wvz h ASP 80 Ca 0.12 0.04 -0.65 0.00 0.42 0.00 0.00 57.03 56.96 1wvz h ASP 80 Cb 0.97 -0.08 -0.15 0.00 1.72 0.00 0.00 39.33 41.79 1wvz h ASP 80 CO -0.00 0.30 0.24 -1.59 -2.88 0.00 0.00 179.24 175.31 1wvz s LYS 81 N -5.64 3.28 -0.81 0.28 -2.85 0.44 -4.82 119.74 109.62 1wvz s LYS 81 Ca -0.10 -0.41 -0.02 0.00 -1.00 0.00 0.00 55.97 54.44 1wvz s LYS 81 Cb 0.22 -4.00 0.29 0.00 -2.06 0.00 0.00 37.83 32.28 1wvz s LYS 81 CO 0.79 -1.17 2.15 0.41 0.10 0.00 0.00 175.35 177.62 1wvz n GLY 82 N 5.07 5.38 2.91 0.59 0.00 -1.25 -4.85 105.19 113.03 1wvz n GLY 82 Ca -0.01 -2.38 -0.29 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 -0.83 3.35 -0.04 1.61 2.47 -1.26 -1.23 114.94 119.02 1wvz s ASN 83 Ca 0.52 -0.92 0.01 0.00 0.42 0.00 0.00 52.86 52.89 1wvz s ASN 83 Cb 0.40 -1.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.17 1wvz s ASN 83 CO -0.35 -0.21 -0.04 -0.47 -3.72 0.00 0.00 177.10 172.31 1wvz s TYR 84 N 1.52 0.66 -0.06 0.43 5.04 -1.06 -0.73 117.35 123.14 1wvz s TYR 84 Ca -0.02 -0.16 0.04 0.00 -2.44 0.00 0.00 57.07 54.49 1wvz s TYR 84 Cb -0.17 -0.58 -0.00 0.00 0.35 0.00 0.00 41.96 41.56 1wvz s TYR 84 CO -0.07 -0.15 -0.20 -0.08 -1.34 0.00 0.00 175.55 173.71 1wvz s THR 85 N 0.75 1.66 -0.41 4.34 -1.32 0.14 0.84 115.64 121.64 1wvz s THR 85 Ca -0.10 -0.82 -0.15 0.00 -1.21 0.00 0.00 61.69 59.41 1wvz s THR 85 Cb -0.13 -1.44 0.02 0.00 -1.51 0.00 0.00 72.50 69.44 1wvz s THR 85 CO 0.00 0.47 0.31 0.00 -2.21 0.00 0.00 174.62 173.19 1wvz s VAL 87 N 1.74 3.80 -0.38 0.00 1.01 -1.02 -0.76 120.40 124.80 1wvz s VAL 87 Ca 0.06 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 1wvz s VAL 87 Cb -0.19 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1wvz s VAL 87 CO 0.10 -0.52 0.29 -0.69 0.00 0.00 0.00 175.10 174.29 1wvz s VAL 88 N 1.32 5.25 0.15 2.92 1.01 -0.93 0.95 120.40 131.08 1wvz s VAL 88 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1wvz s VAL 88 Cb -0.23 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1wvz s VAL 88 CO -0.00 -0.17 0.12 -0.70 0.00 0.00 0.00 175.10 174.34 1wvz s GLU 89 N 1.75 2.86 0.32 2.72 -6.30 0.45 -2.04 118.70 118.47 1wvz s GLU 89 Ca 0.06 -0.86 0.04 0.00 -2.50 0.00 0.00 54.97 51.72 1wvz s GLU 89 Cb -0.18 -2.64 -0.02 0.00 0.00 0.00 0.00 34.13 31.30 1wvz s GLU 89 CO 0.11 0.49 0.33 0.27 0.02 0.00 0.00 175.26 176.48 1wvz n ASN 90 N -0.23 -0.88 0.06 -1.70 0.23 0.23 -1.95 115.26 111.02 1wvz n ASN 90 Ca -0.08 -3.00 0.10 0.00 -0.53 0.00 0.00 54.58 51.07 1wvz n ASN 90 Cb 0.54 1.86 0.42 0.00 -2.08 0.00 0.00 39.78 40.52 1wvz n ASN 90 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1wvz n GLU 91 N -0.59 0.10 -0.01 -3.83 2.13 -1.26 -2.53 120.64 114.66 1wvz n GLU 91 Ca 0.05 0.29 0.08 0.00 0.66 0.00 0.00 57.16 58.25 1wvz n GLU 91 Cb 0.57 -1.68 0.07 0.00 0.27 0.00 0.00 31.44 30.68 1wvz n GLU 91 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1wvz n TYR 92 N -1.86 0.02 0.00 4.31 4.19 -1.26 -5.01 117.16 117.54 1wvz n TYR 92 Ca 0.03 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1wvz n TYR 92 Cb 0.23 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.06 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wvz n GLY 93 N 0.91 1.68 3.08 2.98 0.00 -1.05 -4.94 105.19 107.85 1wvz n GLY 93 Ca 0.10 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 1.74 0.18 1.61 1.04 -1.26 0.74 113.70 117.75 1wvz s SER 94 Ca 0.00 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1wvz s SER 94 CO 0.00 0.12 -0.21 -0.63 0.98 0.00 0.00 173.24 173.51 1wvz s ILE 95 N 0.06 2.04 -0.02 -1.02 1.01 -0.86 -4.98 121.20 117.43 1wvz s ILE 95 Ca -0.02 -1.97 0.05 0.00 0.00 0.00 0.00 60.65 58.71 1wvz s ILE 95 Cb -0.10 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1wvz s ILE 95 CO 0.01 -0.24 -0.17 0.54 0.00 0.00 0.00 174.94 175.09 1wvz s ASN 96 N -2.68 2.02 -0.03 3.58 6.03 -1.26 -2.20 114.94 120.41 1wvz s ASN 96 Ca 0.18 -0.31 0.01 0.00 -1.03 0.00 0.00 52.86 51.70 1wvz s ASN 96 Cb -0.07 -0.28 0.02 0.00 -3.03 0.00 0.00 41.25 37.89 1wvz s ASN 96 CO 0.08 0.20 -0.03 -1.00 -2.03 0.00 0.00 177.10 174.32 1wvz s HIS 97 N -0.32 0.56 -0.18 1.54 3.76 0.06 -4.96 115.29 115.75 1wvz s HIS 97 Ca 0.05 -0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1wvz s HIS 97 Cb -0.07 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 1wvz s HIS 97 CO -0.00 -0.13 0.00 0.95 -0.85 0.00 0.00 174.74 174.71 1wvz s THR 98 N 0.74 4.15 -0.10 1.30 -4.23 -1.26 0.10 115.64 116.34 1wvz s THR 98 Ca -0.09 -0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1wvz s THR 98 Cb -0.12 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1wvz s THR 98 CO -0.00 0.46 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.06 1wvz s TYR 99 N 0.62 2.71 -0.57 3.99 2.02 0.25 -4.79 117.35 121.57 1wvz s TYR 99 Ca -0.00 -0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 55.88 1wvz s TYR 99 Cb -0.14 -1.75 0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1wvz s TYR 99 CO 0.02 -0.17 0.67 -1.01 -1.57 0.00 0.00 175.55 173.49 1wvz s HIS 100 N 0.09 3.02 0.18 2.71 3.76 -0.80 -2.56 115.29 121.69 1wvz s HIS 100 Ca -0.07 -0.88 -0.07 0.00 -0.15 0.00 0.00 55.06 53.88 1wvz s HIS 100 Cb -0.15 -3.89 -0.06 0.00 1.11 0.00 0.00 32.58 29.59 1wvz s HIS 100 CO 0.05 -1.22 0.46 -0.51 -0.85 0.00 0.00 174.74 172.67 1wvz s LEU 101 N 2.62 4.22 -0.19 0.89 1.43 -0.36 -2.62 118.68 124.67 1wvz s LEU 101 Ca 0.12 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1wvz s LEU 101 Cb -0.23 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1wvz s LEU 101 CO 0.07 -0.00 -0.08 -1.81 0.23 0.00 0.00 176.35 174.77 1wvz s ASP 102 N -2.36 4.16 -0.20 2.29 1.11 -0.99 -4.54 116.67 116.15 1wvz s ASP 102 Ca 0.44 -0.38 -0.27 0.00 0.18 0.00 0.00 52.55 52.52 1wvz s ASP 102 Cb -0.12 -1.69 -0.00 0.00 1.07 0.00 0.00 42.92 42.18 1wvz s ASP 102 CO 0.23 0.04 0.92 0.68 1.18 0.00 0.00 175.17 178.21 1wvz s VAL 103 N 1.12 4.80 -0.08 -1.27 -7.23 -1.26 -1.99 120.40 114.49 1wvz s VAL 103 Ca 0.01 1.79 0.01 0.00 -1.81 0.00 0.00 61.98 61.98 1wvz s VAL 103 Cb -0.15 -4.21 0.01 0.00 0.56 0.00 0.00 36.38 32.59 1wvz s VAL 103 CO -0.02 -0.06 0.52 1.33 -0.31 0.00 0.00 175.10 176.56