#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvo s ILE 1 N 0.00 2.27 -0.09 1.12 1.01 -1.26 -5.02 121.20 119.23 1qvo s ILE 1 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 1qvo s ILE 1 Cb 0.00 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.36 1qvo s ILE 1 CO 0.00 0.05 0.20 -1.10 0.00 0.00 0.00 174.94 174.09 1qvo s GLN 2 N -2.16 0.14 -0.03 2.79 -0.21 -1.26 -4.38 119.66 114.55 1qvo s GLN 2 Ca 0.55 0.47 0.02 0.00 0.02 0.00 0.00 55.36 56.43 1qvo s GLN 2 Cb -0.43 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.43 1qvo s GLN 2 CO 0.57 -0.18 -0.09 1.03 -2.12 0.00 0.00 175.29 174.50 1qvo s ARG 3 N 1.35 1.05 0.06 2.91 0.52 0.11 -4.93 118.95 120.02 1qvo s ARG 3 Ca -0.08 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 1qvo s ARG 3 Cb -0.11 -0.96 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 1qvo s ARG 3 CO -0.07 0.10 1.15 0.99 0.02 0.00 0.00 175.30 177.48 1qvo s THR 4 N 0.29 4.18 0.27 0.02 2.01 -1.26 -1.78 115.64 119.37 1qvo s THR 4 Ca -0.05 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 1qvo s THR 4 Cb -0.10 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1qvo s THR 4 CO 0.01 0.13 1.18 -2.16 -0.69 0.00 0.00 174.62 173.09 1qvo s PRO 5 N 0.94 4.53 -0.09 4.92 0.04 -1.26 -4.36 135.00 139.72 1qvo s PRO 5 Ca 0.57 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.34 1qvo s PRO 5 Cb -0.28 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1qvo s PRO 5 CO 0.29 0.03 0.54 0.15 0.04 0.00 0.00 177.00 178.05 1qvo s LYS 6 N -1.20 4.35 -0.10 4.56 -0.14 0.42 -4.89 119.74 122.75 1qvo s LYS 6 Ca 0.48 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 1qvo s LYS 6 Cb -0.34 -3.42 -0.02 0.00 -1.68 0.00 0.00 37.83 32.36 1qvo s LYS 6 CO 0.43 0.17 -0.10 0.42 -0.76 0.00 0.00 175.35 175.50 1qvo s ILE 7 N 0.55 3.36 -0.04 2.17 1.01 -1.26 -2.07 121.20 124.91 1qvo s ILE 7 Ca 0.29 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1qvo s ILE 7 Cb -0.16 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1qvo s ILE 7 CO 0.13 0.55 0.03 -1.10 0.00 0.00 0.00 174.94 174.55 1qvo s GLN 8 N -0.12 0.17 -0.13 2.79 -0.21 -0.73 -5.01 119.66 116.42 1qvo s GLN 8 Ca -0.00 0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.62 1qvo s GLN 8 Cb -0.13 -0.58 -0.00 0.00 1.00 0.00 0.00 33.01 33.29 1qvo s GLN 8 CO 0.03 -0.26 -0.18 0.54 -2.12 0.00 0.00 175.29 173.30 1qvo s VAL 9 N 1.72 2.54 0.21 1.09 0.11 -1.26 -0.49 120.40 124.33 1qvo s VAL 9 Ca -0.00 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 57.99 1qvo s VAL 9 Cb -0.13 -2.04 0.05 0.00 -1.53 0.00 0.00 36.38 32.74 1qvo s VAL 9 CO -0.03 0.53 0.89 -0.72 -3.33 0.00 0.00 175.10 172.44 1qvo s TYR 10 N 0.53 -0.10 0.17 1.54 1.13 0.13 -4.58 117.35 116.16 1qvo s TYR 10 Ca -0.11 -0.29 0.04 0.00 -1.41 0.00 0.00 57.07 55.29 1qvo s TYR 10 Cb -0.16 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1qvo s TYR 10 CO 0.04 -1.02 0.23 -1.54 -2.51 0.00 0.00 175.55 170.76 1qvo s SER 11 N -3.00 5.99 0.10 -0.18 1.04 -1.26 0.15 113.70 116.54 1qvo s SER 11 Ca 0.13 0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 1qvo s SER 11 Cb -0.03 -1.70 -0.11 0.00 0.10 0.00 0.00 66.02 64.27 1qvo s SER 11 CO 0.05 0.05 1.70 -0.09 0.98 0.00 0.00 173.24 175.93 1qvo h ARG 12 N 2.15 -0.16 -6.04 4.02 2.43 -0.81 -3.44 114.38 112.53 1qvo h ARG 12 Ca -0.48 0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.11 1qvo h ARG 12 Cb 1.20 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.68 1qvo h ARG 12 CO 0.66 -0.11 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.36 1qvo s HIS 13 N -6.16 2.52 0.10 2.20 3.76 -1.26 -5.04 115.29 111.41 1qvo s HIS 13 Ca -0.14 -0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 54.02 1qvo s HIS 13 Cb 0.07 -1.41 -0.12 0.00 1.11 0.00 0.00 32.58 32.23 1qvo s HIS 13 CO 0.66 0.52 1.75 -2.30 -0.85 0.00 0.00 174.74 174.52 1qvo n PRO 14 N -0.90 2.47 -1.72 8.40 -0.02 -1.26 -4.88 135.00 137.09 1qvo n PRO 14 Ca -0.05 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 1qvo n PRO 14 Cb 0.62 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1qvo n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvo n ALA 15 N 4.96 2.35 -3.67 3.55 0.00 -1.26 -5.00 120.51 121.43 1qvo n ALA 15 Ca 0.18 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 1qvo n ALA 15 Cb 0.33 -2.45 -0.18 0.00 0.00 0.00 0.00 19.45 17.15 1qvo n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qvo s GLU 16 N 0.38 -0.06 0.24 0.00 2.12 -1.26 -5.12 118.70 114.99 1qvo s GLU 16 Ca 0.71 0.39 -0.31 0.00 0.36 0.00 0.00 54.97 56.12 1qvo s GLU 16 Cb -0.54 -0.47 -0.13 0.00 0.26 0.00 0.00 34.13 33.25 1qvo s GLU 16 CO 0.41 -0.32 1.56 0.09 -0.54 0.00 0.00 175.26 176.46 1qvo n ASN 17 N 5.26 3.45 0.00 -1.70 3.02 -1.26 -1.52 115.26 122.50 1qvo n ASN 17 Ca -0.04 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1qvo n ASN 17 Cb 0.50 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1qvo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvo n GLY 18 N 2.69 1.70 3.50 7.41 0.00 -0.62 -5.00 105.19 114.88 1qvo n GLY 18 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1qvo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qvo s LYS 19 N -0.28 3.72 0.23 1.61 2.20 -0.58 -5.00 119.74 121.63 1qvo s LYS 19 Ca 0.00 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1qvo s LYS 19 Cb 0.00 -3.12 -0.15 0.00 -1.51 0.00 0.00 37.83 33.05 1qvo s LYS 19 CO 0.00 0.08 0.96 0.43 -0.36 0.00 0.00 175.35 176.46 1qvo n SER 20 N 4.06 0.78 -1.28 1.43 7.64 -1.26 -4.31 113.62 120.69 1qvo n SER 20 Ca -0.17 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.86 1qvo n SER 20 Cb 0.52 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1qvo n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qvo n ASN 21 N 1.62 -0.34 -3.87 6.43 4.05 0.65 -4.99 115.26 118.81 1qvo n ASN 21 Ca 0.13 -1.25 -0.18 0.00 0.45 0.00 0.00 54.58 53.74 1qvo n ASN 21 Cb 0.28 0.57 -0.16 0.00 1.23 0.00 0.00 39.78 41.70 1qvo n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1qvo s PHE 22 N -7.67 0.46 -0.17 1.20 0.40 -1.26 -0.96 117.98 109.97 1qvo s PHE 22 Ca 0.03 -0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.14 1qvo s PHE 22 Cb -0.01 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 43.02 1qvo s PHE 22 CO 0.02 -0.12 0.30 -1.17 0.70 0.00 0.00 175.22 174.95 1qvo s LEU 23 N 0.76 4.22 0.21 -0.37 2.96 0.17 -0.01 118.68 126.62 1qvo s LEU 23 Ca -0.09 0.49 0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1qvo s LEU 23 Cb -0.12 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1qvo s LEU 23 CO -0.01 0.07 -0.20 0.20 -1.32 0.00 0.00 176.35 175.09 1qvo s ASN 24 N 0.59 3.63 -0.25 3.68 0.01 0.41 -1.96 114.94 121.05 1qvo s ASN 24 Ca 0.17 -0.85 -0.03 0.00 -0.71 0.00 0.00 52.86 51.44 1qvo s ASN 24 Cb -0.13 -0.36 0.11 0.00 0.41 0.00 0.00 41.25 41.28 1qvo s ASN 24 CO 0.04 0.10 0.23 0.00 -1.51 0.00 0.00 177.10 175.96 1qvo s TYR 26 N 2.30 3.37 -0.15 0.00 5.04 0.36 -1.06 117.35 127.21 1qvo s TYR 26 Ca 0.08 0.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 1qvo s TYR 26 Cb -0.15 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.93 1qvo s TYR 26 CO -0.25 0.17 -0.19 0.08 -1.34 0.00 0.00 175.55 174.03 1qvo s VAL 27 N 0.72 1.85 0.22 3.14 1.01 0.09 -1.78 120.40 125.65 1qvo s VAL 27 Ca 0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1qvo s VAL 27 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1qvo s VAL 27 CO 0.02 0.51 0.12 -0.94 0.00 0.00 0.00 175.10 174.80 1qvo s SER 28 N 1.11 0.59 -1.48 3.32 1.04 -0.88 -0.50 113.70 116.90 1qvo s SER 28 Ca -0.01 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1qvo s SER 28 Cb -0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1qvo s SER 28 CO -0.07 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1qvo n GLY 29 N -0.35 0.28 3.77 7.32 0.00 -0.14 -0.43 105.19 115.63 1qvo n GLY 29 Ca 0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1qvo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qvo s PHE 30 N -2.75 2.96 -0.29 1.61 -0.71 -1.15 -4.12 117.98 113.53 1qvo s PHE 30 Ca 0.00 -0.17 -0.20 0.00 -1.04 0.00 0.00 56.93 55.52 1qvo s PHE 30 Cb 0.00 -1.38 0.14 0.00 -1.21 0.00 0.00 43.02 40.57 1qvo s PHE 30 CO 0.00 0.52 1.02 -1.58 -1.34 0.00 0.00 175.22 173.84 1qvo s HIS 31 N -2.21 -0.50 1.03 3.49 2.46 -0.73 -1.08 115.29 117.74 1qvo s HIS 31 Ca 0.33 1.08 -0.17 0.00 0.47 0.00 0.00 55.06 56.77 1qvo s HIS 31 Cb -0.07 0.36 0.26 0.00 -0.13 0.00 0.00 32.58 33.00 1qvo s HIS 31 CO 0.24 -0.25 0.71 -2.30 -2.47 0.00 0.00 174.74 170.67 1qvo n PRO 32 N 3.03 -3.57 0.19 2.88 -0.02 -1.26 -0.71 135.00 135.53 1qvo n PRO 32 Ca -0.16 -1.17 0.09 0.00 -2.02 0.00 0.00 63.50 60.24 1qvo n PRO 32 Cb 0.57 -1.34 0.12 0.00 -0.02 0.00 0.00 33.50 32.83 1qvo n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qvo h SER 33 N -2.87 0.00 -2.42 2.55 4.64 -2.00 -3.45 113.55 110.00 1qvo h SER 33 Ca -0.30 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.49 1qvo h SER 33 Cb 0.97 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1qvo h SER 33 CO 0.19 0.14 1.20 -1.81 -0.87 0.00 0.00 176.83 175.67 1qvo s ASP 34 N -6.23 6.50 -0.13 4.97 1.01 -1.26 -4.94 116.67 116.59 1qvo s ASP 34 Ca 0.06 2.58 -0.13 0.00 0.71 0.00 0.00 52.55 55.76 1qvo s ASP 34 Cb 0.06 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.49 1qvo s ASP 34 CO 0.70 -1.03 0.37 -0.51 0.21 0.00 0.00 175.17 174.91 1qvo s ILE 35 N 4.35 0.00 -0.25 0.77 2.07 -1.26 -4.64 121.20 122.24 1qvo s ILE 35 Ca 0.85 -0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 60.00 1qvo s ILE 35 Cb -0.41 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1qvo s ILE 35 CO 0.39 -0.01 0.05 -0.70 -1.91 0.00 0.00 174.94 172.75 1qvo s GLU 36 N 0.11 3.49 -0.07 3.50 2.12 -0.39 -4.99 118.70 122.47 1qvo s GLU 36 Ca -0.01 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.77 1qvo s GLU 36 Cb -0.03 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.12 1qvo s GLU 36 CO 0.01 -0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.45 1qvo s VAL 37 N 1.56 1.15 0.03 3.70 1.01 -1.26 -1.35 120.40 125.24 1qvo s VAL 37 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1qvo s VAL 37 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1qvo s VAL 37 CO 0.02 0.36 -0.11 -1.81 0.00 0.00 0.00 175.10 173.56 1qvo s ASP 38 N 0.73 1.23 -0.18 3.32 1.11 -0.38 -4.99 116.67 117.50 1qvo s ASP 38 Ca -0.13 -0.39 -0.09 0.00 0.18 0.00 0.00 52.55 52.12 1qvo s ASP 38 Cb -0.16 -0.07 -0.05 0.00 1.07 0.00 0.00 42.92 43.72 1qvo s ASP 38 CO 0.03 -0.01 0.11 -0.76 1.18 0.00 0.00 175.17 175.72 1qvo s LEU 39 N -0.97 4.12 -0.12 1.23 2.01 -1.26 -0.50 118.68 123.19 1qvo s LEU 39 Ca -0.01 0.22 -0.03 0.00 0.01 0.00 0.00 54.13 54.32 1qvo s LEU 39 Cb -0.07 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 1qvo s LEU 39 CO 0.01 0.21 -0.02 -0.76 1.01 0.00 0.00 176.35 176.80 1qvo s LEU 40 N 0.16 3.42 -0.24 1.79 1.43 0.22 -1.09 118.68 124.37 1qvo s LEU 40 Ca 0.08 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1qvo s LEU 40 Cb -0.11 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1qvo s LEU 40 CO -0.01 0.27 -0.09 -0.75 0.23 0.00 0.00 176.35 176.00 1qvo s LYS 41 N -0.25 2.72 -1.60 1.70 2.20 -0.18 -1.10 119.74 123.23 1qvo s LYS 41 Ca 0.05 -1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 54.48 1qvo s LYS 41 Cb -0.12 -2.90 0.11 0.00 -1.51 0.00 0.00 37.83 33.40 1qvo s LYS 41 CO 0.02 -0.41 0.76 0.09 -0.36 0.00 0.00 175.35 175.44 1qvo n ASN 42 N 4.61 -2.99 0.00 1.43 3.02 0.12 -0.86 115.26 120.59 1qvo n ASN 42 Ca -0.17 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1qvo n ASN 42 Cb 0.46 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 1qvo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvo n GLY 43 N -1.59 2.72 3.62 7.41 0.00 -1.26 -5.02 105.19 111.08 1qvo n GLY 43 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1qvo n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvo s GLU 44 N -0.29 3.97 0.33 1.61 2.02 -0.04 -5.01 118.70 121.30 1qvo s GLU 44 Ca 0.00 -0.34 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 1qvo s GLU 44 Cb 0.00 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 30.80 1qvo s GLU 44 CO 0.00 0.18 1.28 -2.13 0.02 0.00 0.00 175.26 174.62 1qvo n ARG 45 N 3.83 2.07 -3.30 1.61 0.00 -1.26 -1.01 116.66 118.61 1qvo n ARG 45 Ca -0.16 0.73 -0.39 0.00 -0.00 0.00 0.00 57.85 58.03 1qvo n ARG 45 Cb 0.52 -2.30 -0.07 0.00 0.00 0.00 0.00 32.46 30.61 1qvo n ARG 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1qvo s ILE 46 N -1.00 5.14 0.11 5.15 1.01 -0.25 -4.85 121.20 126.51 1qvo s ILE 46 Ca 0.57 0.85 0.08 0.00 0.00 0.00 0.00 60.65 62.15 1qvo s ILE 46 Cb -0.58 -3.80 -0.15 0.00 0.01 0.00 0.00 42.46 37.93 1qvo s ILE 46 CO 0.61 0.19 1.34 -0.33 0.00 0.00 0.00 174.94 176.75 1qvo h GLU 47 N 7.51 0.00 -3.11 2.79 5.08 -1.92 -3.38 114.58 121.54 1qvo h GLU 47 Ca -0.34 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.25 1qvo h GLU 47 Cb 1.16 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 1qvo h GLU 47 CO 0.73 0.89 1.74 1.17 -1.00 0.00 0.00 179.01 182.54 1qvo n LYS 48 N -3.39 4.14 -4.64 2.33 0.00 -1.26 -4.94 118.16 110.40 1qvo n LYS 48 Ca 0.00 -3.84 -0.23 0.00 0.00 0.00 0.00 58.31 54.25 1qvo n LYS 48 Cb 0.88 -2.74 -0.15 0.00 0.00 0.00 0.00 35.03 33.01 1qvo n LYS 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1qvo s VAL 49 N -0.99 1.12 0.46 3.15 -7.23 -1.26 -4.79 120.40 110.86 1qvo s VAL 49 Ca 0.40 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 60.05 1qvo s VAL 49 Cb 0.11 -0.95 0.05 0.00 0.56 0.00 0.00 36.38 36.15 1qvo s VAL 49 CO 0.00 0.32 0.45 -0.62 -0.31 0.00 0.00 175.10 174.94 1qvo n GLU 50 N 2.97 0.77 -3.55 4.82 1.02 -0.52 -4.93 120.64 121.21 1qvo n GLU 50 Ca -0.16 -2.73 -0.11 0.00 -0.02 0.00 0.00 57.16 54.14 1qvo n GLU 50 Cb 0.54 0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 32.07 1qvo n GLU 50 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1qvo s HIS 51 N -2.14 -0.41 0.98 -0.32 -3.43 -1.26 -1.41 115.29 107.30 1qvo s HIS 51 Ca 0.34 0.13 -0.15 0.00 -0.80 0.00 0.00 55.06 54.58 1qvo s HIS 51 Cb -0.03 0.55 0.18 0.00 -1.43 0.00 0.00 32.58 31.85 1qvo s HIS 51 CO 0.22 -0.92 1.19 -1.54 -2.00 0.00 0.00 174.74 171.69 1qvo s SER 52 N -2.80 2.92 -0.13 7.38 1.04 -0.16 -4.98 113.70 116.97 1qvo s SER 52 Ca 0.04 0.67 -0.19 0.00 0.48 0.00 0.00 55.95 56.95 1qvo s SER 52 Cb -0.02 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.05 1qvo s SER 52 CO -0.08 -2.89 0.53 -1.81 0.98 0.00 0.00 173.24 169.97 1qvo s ASP 53 N -4.30 6.70 -0.26 7.02 1.11 -1.26 -4.75 116.67 120.93 1qvo s ASP 53 Ca 0.68 0.84 -0.42 0.00 0.18 0.00 0.00 52.55 53.83 1qvo s ASP 53 Cb -0.10 -2.31 -0.19 0.00 1.07 0.00 0.00 42.92 41.39 1qvo s ASP 53 CO 0.53 -0.07 1.30 -0.11 1.18 0.00 0.00 175.17 178.00 1qvo n LEU 54 N 4.02 0.63 -4.27 1.23 7.94 -1.26 -4.96 117.00 120.32 1qvo n LEU 54 Ca -0.05 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.78 1qvo n LEU 54 Cb 0.51 -0.86 -0.08 0.00 0.53 0.00 0.00 43.42 43.52 1qvo n LEU 54 CO 0.43 -1.27 -0.09 -0.44 -1.11 0.00 0.00 177.39 174.91 1qvo s SER 55 N 1.56 1.64 0.15 1.96 0.01 -1.22 -5.04 113.70 112.76 1qvo s SER 55 Ca 0.94 -1.75 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 1qvo s SER 55 Cb -1.33 0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.47 1qvo s SER 55 CO 0.68 -1.08 0.34 0.72 0.41 0.00 0.00 173.24 174.31 1qvo s PHE 56 N -3.41 0.11 0.72 2.43 -0.12 -1.26 -1.84 117.98 114.61 1qvo s PHE 56 Ca 0.40 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 1qvo s PHE 56 Cb 0.02 0.11 0.14 0.00 -0.63 0.00 0.00 43.02 42.66 1qvo s PHE 56 CO 0.27 -0.72 0.98 0.43 -0.05 0.00 0.00 175.22 176.13 1qvo n SER 57 N -0.21 1.44 -0.12 1.98 7.64 0.93 -4.94 113.62 120.34 1qvo n SER 57 Ca -0.11 -2.19 0.09 0.00 1.01 0.00 0.00 58.87 57.67 1qvo n SER 57 Cb 0.63 -0.63 0.44 0.00 -1.01 0.00 0.00 64.21 63.64 1qvo n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1qvo h LYS 58 N 0.00 0.54 -0.49 1.43 3.11 -2.03 0.10 116.57 119.24 1qvo h LYS 58 Ca -0.33 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1qvo h LYS 58 Cb 1.23 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1qvo h LYS 58 CO 0.36 0.36 0.00 -0.40 -2.81 0.00 0.00 179.45 176.96 1qvo n ASP 59 N -4.48 1.82 0.00 4.20 5.75 -1.26 -4.87 116.55 117.71 1qvo n ASP 59 Ca 0.10 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1qvo n ASP 59 Cb 0.30 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1qvo n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1qvo n TRP 60 N 0.22 0.00 -2.37 2.11 7.02 0.35 -5.00 117.44 119.77 1qvo n TRP 60 Ca 0.09 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.18 1qvo n TRP 60 Cb 0.35 -0.45 -0.03 0.00 -2.42 0.00 0.00 31.31 28.76 1qvo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1qvo s SER 61 N -2.75 6.81 0.55 -0.99 1.04 -1.26 -4.64 113.70 112.47 1qvo s SER 61 Ca 0.00 2.31 -0.06 0.00 0.48 0.00 0.00 55.95 58.68 1qvo s SER 61 Cb 0.00 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1qvo s SER 61 CO 0.00 -0.47 0.87 -0.36 0.98 0.00 0.00 173.24 174.26 1qvo s PHE 62 N -1.35 3.42 -0.10 5.02 0.08 -0.24 -0.05 117.98 124.76 1qvo s PHE 62 Ca 0.52 0.78 -0.16 0.00 0.12 0.00 0.00 56.93 58.20 1qvo s PHE 62 Cb -0.31 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1qvo s PHE 62 CO 0.39 -0.59 0.40 1.52 -0.10 0.00 0.00 175.22 176.84 1qvo s TYR 63 N -2.91 -0.38 -0.02 0.36 -0.85 -0.76 -0.97 117.35 111.82 1qvo s TYR 63 Ca 0.51 0.85 -0.07 0.00 -0.52 0.00 0.00 57.07 57.84 1qvo s TYR 63 Cb -0.10 0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.39 1qvo s TYR 63 CO 0.46 -0.30 0.15 -0.51 -1.52 0.00 0.00 175.55 173.83 1qvo s LEU 64 N -0.35 1.50 -0.17 -3.49 1.43 0.34 -3.42 118.68 114.53 1qvo s LEU 64 Ca -0.05 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1qvo s LEU 64 Cb -0.03 0.65 -0.00 0.00 0.03 0.00 0.00 46.19 46.83 1qvo s LEU 64 CO 0.02 -0.28 -0.13 -0.22 0.23 0.00 0.00 176.35 175.97 1qvo s LEU 65 N -0.96 2.59 -0.09 1.79 0.20 -1.26 -0.74 118.68 120.21 1qvo s LEU 65 Ca -0.11 -0.44 -0.00 0.00 0.69 0.00 0.00 54.13 54.28 1qvo s LEU 65 Cb -0.06 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 1qvo s LEU 65 CO 0.01 0.07 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.77 1qvo s TYR 66 N 0.89 2.96 0.06 5.38 1.51 -0.22 -0.99 117.35 126.95 1qvo s TYR 66 Ca -0.03 -0.04 -0.19 0.00 -1.01 0.00 0.00 57.07 55.79 1qvo s TYR 66 Cb -0.15 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1qvo s TYR 66 CO -0.01 0.26 0.45 1.52 -1.11 0.00 0.00 175.55 176.67 1qvo s TYR 67 N -0.58 -0.32 -0.05 2.71 1.13 -0.50 -1.02 117.35 118.72 1qvo s TYR 67 Ca 0.09 0.25 -0.14 0.00 -1.41 0.00 0.00 57.07 55.86 1qvo s TYR 67 Cb -0.12 0.28 0.03 0.00 -1.10 0.00 0.00 41.96 41.05 1qvo s TYR 67 CO 0.02 -0.63 0.32 -0.08 -2.51 0.00 0.00 175.55 172.67 1qvo s THR 68 N -2.77 0.04 0.30 -3.49 -1.32 -0.83 -1.44 115.64 106.13 1qvo s THR 68 Ca -0.03 -0.31 -0.27 0.00 -1.21 0.00 0.00 61.69 59.87 1qvo s THR 68 Cb -0.00 -0.57 -0.10 0.00 -1.51 0.00 0.00 72.50 70.32 1qvo s THR 68 CO -0.04 -0.17 0.95 -0.70 -2.21 0.00 0.00 174.62 172.45 1qvo s GLU 69 N -0.80 4.67 0.24 7.08 2.12 -1.26 -0.66 118.70 130.09 1qvo s GLU 69 Ca -0.09 1.40 -0.22 0.00 0.36 0.00 0.00 54.97 56.42 1qvo s GLU 69 Cb -0.04 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.42 1qvo s GLU 69 CO 0.03 0.35 0.69 -0.59 -0.54 0.00 0.00 175.26 175.19 1qvo s PHE 70 N -1.47 -0.29 -0.30 5.30 -0.71 -0.14 -4.87 117.98 115.50 1qvo s PHE 70 Ca 0.47 -0.09 0.01 0.00 -1.04 0.00 0.00 56.93 56.29 1qvo s PHE 70 Cb -0.21 0.66 0.09 0.00 -1.21 0.00 0.00 43.02 42.35 1qvo s PHE 70 CO 0.27 -1.12 0.03 0.99 -1.34 0.00 0.00 175.22 174.05 1qvo s THR 71 N -3.86 1.59 0.82 -4.49 2.01 -1.26 -0.25 115.64 110.20 1qvo s THR 71 Ca 0.08 -1.70 -0.11 0.00 0.31 0.00 0.00 61.69 60.27 1qvo s THR 71 Cb -0.04 -2.09 0.09 0.00 0.01 0.00 0.00 72.50 70.47 1qvo s THR 71 CO 0.01 -0.47 1.14 -2.16 -0.69 0.00 0.00 174.62 172.44 1qvo s PRO 72 N 1.28 1.71 0.12 4.92 0.04 -1.26 -4.78 135.00 137.04 1qvo s PRO 72 Ca 0.05 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1qvo s PRO 72 Cb -0.18 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1qvo s PRO 72 CO -0.13 -2.10 0.11 0.25 0.04 0.00 0.00 177.00 175.17 1qvo n THR 73 N -3.64 0.00 0.02 1.26 -2.24 -1.26 -1.58 114.28 106.84 1qvo n THR 73 Ca 0.11 -0.84 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1qvo n THR 73 Cb 0.52 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 1qvo n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qvo h GLU 74 N 0.00 -0.15 -0.20 -0.78 5.08 -1.99 -3.38 114.58 113.17 1qvo h GLU 74 Ca -0.09 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1qvo h GLU 74 Cb 0.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1qvo h GLU 74 CO 0.12 0.33 -0.52 0.87 -1.00 0.00 0.00 179.01 178.81 1qvo h LYS 75 N -0.87 0.71 -6.23 2.33 1.79 -2.03 -3.45 116.57 108.81 1qvo h LYS 75 Ca -0.02 -0.49 -0.67 0.00 -2.18 0.00 0.00 60.65 57.29 1qvo h LYS 75 Cb 0.55 0.08 0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1qvo h LYS 75 CO 0.03 1.12 0.97 -0.25 -1.08 0.00 0.00 179.45 180.23 1qvo n ASP 76 N -4.13 2.89 -4.60 0.86 8.00 -1.26 -4.97 116.55 113.35 1qvo n ASP 76 Ca -0.06 1.03 -0.34 0.00 0.71 0.00 0.00 54.79 56.13 1qvo n ASP 76 Cb 0.61 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.34 1qvo n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qvo s GLU 77 N 3.53 2.72 0.20 -1.24 2.02 -1.26 -4.73 118.70 119.94 1qvo s GLU 77 Ca 0.94 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 55.44 1qvo s GLU 77 Cb -0.87 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 1qvo s GLU 77 CO 0.57 0.65 -0.16 0.71 0.02 0.00 0.00 175.26 177.05 1qvo s TYR 78 N -0.87 1.78 0.30 1.61 1.51 -1.26 0.11 117.35 120.54 1qvo s TYR 78 Ca 0.14 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.47 1qvo s TYR 78 Cb -0.11 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1qvo s TYR 78 CO 0.03 0.38 0.76 0.00 -1.11 0.00 0.00 175.55 175.61 1qvo s ALA 79 N -2.71 -1.13 -0.02 3.71 0.00 -0.26 -0.49 121.76 120.87 1qvo s ALA 79 Ca 0.21 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1qvo s ALA 79 Cb -0.02 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1qvo s ALA 79 CO 0.07 -1.03 -0.20 0.00 0.00 0.00 0.00 175.76 174.61 1qvo s ARG 81 N -0.34 2.74 -0.03 0.00 3.52 0.34 -0.95 118.95 124.24 1qvo s ARG 81 Ca 0.04 -0.75 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 1qvo s ARG 81 Cb -0.09 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1qvo s ARG 81 CO 0.00 -0.07 -0.16 0.08 -0.81 0.00 0.00 175.30 174.34 1qvo s VAL 82 N 0.97 1.31 -0.02 7.11 1.01 0.18 -1.25 120.40 129.71 1qvo s VAL 82 Ca -0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1qvo s VAL 82 Cb -0.15 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1qvo s VAL 82 CO -0.04 0.38 -0.12 0.21 0.00 0.00 0.00 175.10 175.53 1qvo s ASN 83 N -0.16 1.52 0.11 3.32 2.47 -0.45 -0.03 114.94 121.71 1qvo s ASN 83 Ca 0.01 -0.24 -0.17 0.00 0.42 0.00 0.00 52.86 52.88 1qvo s ASN 83 Cb -0.09 -0.31 0.04 0.00 -1.45 0.00 0.00 41.25 39.44 1qvo s ASN 83 CO 0.01 0.12 0.42 -2.28 -3.72 0.00 0.00 177.10 171.65 1qvo s HIS 84 N -0.05 -0.25 0.47 0.43 5.65 -1.26 -1.27 115.29 119.01 1qvo s HIS 84 Ca 0.00 0.02 0.21 0.00 0.25 0.00 0.00 55.06 55.54 1qvo s HIS 84 Cb -0.08 0.28 1.21 0.00 -1.18 0.00 0.00 32.58 32.81 1qvo s HIS 84 CO 0.00 -0.68 1.93 -0.24 -0.65 0.00 0.00 174.74 175.11 1qvo h VAL 85 N 2.50 0.74 0.00 0.89 3.04 -1.95 0.51 116.25 121.97 1qvo h VAL 85 Ca -0.33 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1qvo h VAL 85 Cb 1.25 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1qvo h VAL 85 CO 0.45 0.04 0.00 0.35 -1.01 0.00 0.00 177.57 177.41 1qvo n THR 86 N -4.43 0.05 -4.24 3.17 -2.24 -1.26 -4.71 114.28 100.61 1qvo n THR 86 Ca 0.14 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 1qvo n THR 86 Cb 0.62 -0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1qvo n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qvo s LEU 87 N -2.21 2.76 0.20 3.22 1.43 0.17 -4.98 118.68 119.27 1qvo s LEU 87 Ca 0.36 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1qvo s LEU 87 Cb 0.19 -1.67 0.24 0.00 0.03 0.00 0.00 46.19 44.98 1qvo s LEU 87 CO 0.35 0.05 1.66 0.28 0.23 0.00 0.00 176.35 178.93 1qvo h SER 88 N 7.56 -0.30 -5.44 2.29 0.02 -1.84 -3.42 113.55 112.42 1qvo h SER 88 Ca -0.36 0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.56 1qvo h SER 88 Cb 1.18 0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.85 1qvo h SER 88 CO 0.59 -0.11 -0.44 0.00 -1.14 0.00 0.00 176.83 175.73 1qvo s GLN 89 N -6.17 1.28 0.09 3.45 0.00 -1.26 -5.10 119.66 111.96 1qvo s GLN 89 Ca -0.14 -1.46 -0.36 0.00 -0.00 0.00 0.00 55.36 53.41 1qvo s GLN 89 Cb 0.18 0.34 -0.16 0.00 0.00 0.00 0.00 33.01 33.37 1qvo s GLN 89 CO 0.73 -0.46 1.43 -2.30 0.00 0.00 0.00 175.29 174.69 1qvo n PRO 90 N -0.29 1.46 -3.62 9.60 -0.02 -1.26 -4.88 135.00 135.99 1qvo n PRO 90 Ca -0.00 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 1qvo n PRO 90 Cb 0.64 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 1qvo n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qvo s LYS 91 N 0.79 4.22 -0.20 -0.52 2.20 0.96 -4.90 119.74 122.28 1qvo s LYS 91 Ca 0.83 -0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 56.39 1qvo s LYS 91 Cb -0.87 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.02 1qvo s LYS 91 CO 0.45 0.27 -0.08 0.42 -0.36 0.00 0.00 175.35 176.05 1qvo s ILE 92 N 0.40 3.11 -0.21 5.43 1.01 -1.26 -0.64 121.20 129.03 1qvo s ILE 92 Ca 0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1qvo s ILE 92 Cb -0.12 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.98 1qvo s ILE 92 CO 0.02 0.46 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 1qvo s VAL 93 N 1.32 2.60 0.37 2.92 1.01 -0.12 -4.96 120.40 123.54 1qvo s VAL 93 Ca 0.04 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1qvo s VAL 93 Cb -0.14 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1qvo s VAL 93 CO -0.04 0.40 1.09 -0.54 0.00 0.00 0.00 175.10 176.01 1qvo s LYS 94 N 1.34 4.24 -0.01 2.72 1.02 -1.26 -0.89 119.74 126.89 1qvo s LYS 94 Ca 0.03 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 1qvo s LYS 94 Cb -0.15 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1qvo s LYS 94 CO -0.08 -0.11 1.06 -0.46 -0.92 0.00 0.00 175.35 174.83 1qvo s TRP 95 N -1.47 3.53 -0.26 3.18 -0.00 0.36 -4.90 118.94 119.38 1qvo s TRP 95 Ca 0.55 1.53 -0.00 0.00 -0.00 0.00 0.00 56.10 58.18 1qvo s TRP 95 Cb -0.27 -3.23 0.04 0.00 -0.00 0.00 0.00 33.47 30.01 1qvo s TRP 95 CO 0.34 -0.48 -0.07 0.34 -0.00 0.00 0.00 176.95 177.08 1qvo s ASP 96 N 1.09 4.40 0.25 5.86 -1.08 -1.26 -4.75 116.67 121.19 1qvo s ASP 96 Ca 0.53 -1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 51.47 1qvo s ASP 96 Cb -0.23 -1.64 0.31 0.00 -1.46 0.00 0.00 42.92 39.90 1qvo s ASP 96 CO 0.26 -0.17 1.74 0.03 0.52 0.00 0.00 175.17 177.55 1qvo h ARG 97 N 7.95 0.79 -0.70 4.34 3.08 -1.97 -3.26 114.38 124.61 1qvo h ARG 97 Ca -0.28 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1qvo h ARG 97 Cb 1.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1qvo h ARG 97 CO 0.54 0.82 0.00 -0.25 -1.07 0.00 0.00 179.97 180.02 1qvo n ASP 98 N -4.20 3.53 0.00 7.04 8.00 -1.26 -4.85 116.55 124.81 1qvo n ASP 98 Ca 0.02 -2.45 0.01 0.00 0.71 0.00 0.00 54.79 53.08 1qvo n ASP 98 Cb 0.32 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1qvo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04