#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2av1 n ILE 1 N 0.00 0.05 -3.80 2.02 5.41 -1.26 -5.01 119.36 116.77 2av1 n ILE 1 Ca 0.00 -0.01 -0.24 0.00 1.00 0.00 0.00 62.75 63.50 2av1 n ILE 1 Cb 0.00 -1.60 -0.17 0.00 -0.71 0.00 0.00 39.64 37.16 2av1 n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2av1 s GLN 2 N 1.17 0.83 -0.01 0.38 -0.21 -1.26 -4.34 119.66 116.22 2av1 s GLN 2 Ca 0.79 -0.00 0.08 0.00 0.02 0.00 0.00 55.36 56.25 2av1 s GLN 2 Cb -0.66 -1.17 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 2av1 s GLN 2 CO 0.38 -0.31 -0.25 1.03 -2.12 0.00 0.00 175.29 174.02 2av1 s ARG 3 N 1.90 1.99 0.03 2.91 0.52 0.22 -4.90 118.95 121.63 2av1 s ARG 3 Ca 0.05 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 2av1 s ARG 3 Cb -0.13 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2av1 s ARG 3 CO -0.06 0.53 1.06 0.99 0.02 0.00 0.00 175.30 177.84 2av1 s THR 4 N -0.62 4.56 0.32 0.02 2.01 -1.26 -1.85 115.64 118.82 2av1 s THR 4 Ca 0.10 1.85 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 2av1 s THR 4 Cb -0.10 -4.19 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 2av1 s THR 4 CO -0.01 0.15 1.47 -2.16 -0.69 0.00 0.00 174.62 173.39 2av1 s PRO 5 N 0.96 4.19 0.20 4.92 0.04 -1.26 -4.35 135.00 139.70 2av1 s PRO 5 Ca 0.54 2.45 -0.17 0.00 0.04 0.00 0.00 61.00 63.86 2av1 s PRO 5 Cb -0.24 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 2av1 s PRO 5 CO 0.29 -0.47 0.65 0.15 0.04 0.00 0.00 177.00 177.66 2av1 s LYS 6 N -1.26 4.11 -0.04 4.56 1.02 0.15 -4.91 119.74 123.37 2av1 s LYS 6 Ca 0.56 0.69 0.03 0.00 0.02 0.00 0.00 55.97 57.26 2av1 s LYS 6 Cb -0.45 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2av1 s LYS 6 CO 0.53 0.41 -0.10 0.42 -0.92 0.00 0.00 175.35 175.68 2av1 s ILE 7 N -1.55 0.93 -0.06 2.17 1.01 -1.26 -2.07 121.20 120.38 2av1 s ILE 7 Ca 0.42 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.69 2av1 s ILE 7 Cb -0.15 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2av1 s ILE 7 CO 0.20 0.29 -0.13 -1.10 0.00 0.00 0.00 174.94 174.20 2av1 s GLN 8 N 0.37 1.71 -0.15 2.79 -0.21 -0.34 -5.00 119.66 118.83 2av1 s GLN 8 Ca -0.07 -0.47 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 2av1 s GLN 8 Cb -0.12 -1.43 -0.01 0.00 1.00 0.00 0.00 33.01 32.46 2av1 s GLN 8 CO 0.01 0.09 -0.13 0.54 -2.12 0.00 0.00 175.29 173.69 2av1 s VAL 9 N 0.47 3.00 0.05 1.09 0.11 -1.26 -1.15 120.40 122.71 2av1 s VAL 9 Ca -0.11 -0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 58.00 2av1 s VAL 9 Cb -0.14 -2.27 0.09 0.00 -1.53 0.00 0.00 36.38 32.52 2av1 s VAL 9 CO 0.03 0.51 0.91 -0.72 -3.33 0.00 0.00 175.10 172.50 2av1 s TYR 10 N 0.58 -0.27 0.11 1.54 1.13 -0.55 -4.61 117.35 115.29 2av1 s TYR 10 Ca -0.08 0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.66 2av1 s TYR 10 Cb -0.16 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2av1 s TYR 10 CO 0.03 -0.65 0.27 -1.54 -2.51 0.00 0.00 175.55 171.16 2av1 s SER 11 N -2.66 6.38 0.14 -0.18 1.04 -1.26 0.62 113.70 117.78 2av1 s SER 11 Ca 0.07 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.64 2av1 s SER 11 Cb -0.01 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2av1 s SER 11 CO -0.05 0.10 1.76 -0.09 0.98 0.00 0.00 173.24 175.93 2av1 h ARG 12 N 2.67 0.53 -6.12 4.02 2.43 -1.41 -3.44 114.38 113.06 2av1 h ARG 12 Ca -0.46 -0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.08 2av1 h ARG 12 Cb 1.17 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.51 2av1 h ARG 12 CO 0.73 0.42 -0.63 -1.01 -1.51 0.00 0.00 179.97 177.96 2av1 s HIS 13 N -5.92 2.60 0.18 2.20 3.76 -1.26 -5.03 115.29 111.82 2av1 s HIS 13 Ca -0.13 -0.33 -0.33 0.00 -0.15 0.00 0.00 55.06 54.11 2av1 s HIS 13 Cb 0.10 -1.34 -0.15 0.00 1.11 0.00 0.00 32.58 32.30 2av1 s HIS 13 CO 0.73 0.54 1.39 -2.30 -0.85 0.00 0.00 174.74 174.25 2av1 n PRO 14 N -0.93 1.74 -2.41 8.40 -0.02 -1.26 -4.87 135.00 135.65 2av1 n PRO 14 Ca -0.05 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2av1 n PRO 14 Cb 0.61 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2av1 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2av1 s ALA 15 N 0.25 3.46 -0.08 3.55 0.00 -1.26 -5.00 121.76 122.67 2av1 s ALA 15 Ca 0.74 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2av1 s ALA 15 Cb -0.75 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 18.90 2av1 s ALA 15 CO 0.47 -0.62 -0.10 -1.21 0.00 0.00 0.00 175.76 174.29 2av1 s GLU 16 N 1.68 1.55 0.24 0.00 2.02 -1.26 -5.11 118.70 117.82 2av1 s GLU 16 Ca 0.58 -0.32 -0.31 0.00 0.02 0.00 0.00 54.97 54.94 2av1 s GLU 16 Cb -0.28 -1.41 -0.13 0.00 0.10 0.00 0.00 34.13 32.41 2av1 s GLU 16 CO 0.26 -0.09 1.54 0.09 0.02 0.00 0.00 175.26 177.08 2av1 n ASN 17 N 4.25 3.35 0.00 -0.19 3.02 -1.26 -1.90 115.26 122.54 2av1 n ASN 17 Ca -0.19 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 2av1 n ASN 17 Cb 0.51 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 2av1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2av1 n GLY 18 N 2.59 1.04 3.45 7.41 0.00 0.57 -4.98 105.19 115.27 2av1 n GLY 18 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2av1 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2av1 s LYS 19 N -0.26 3.08 0.54 1.61 1.02 -0.80 -4.99 119.74 119.94 2av1 s LYS 19 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 55.97 55.16 2av1 s LYS 19 Cb 0.00 -2.60 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 2av1 s LYS 19 CO 0.00 0.41 1.09 -1.54 -0.92 0.00 0.00 175.35 174.38 2av1 s SER 20 N -0.14 5.90 0.20 2.83 1.04 -1.26 -4.14 113.70 118.12 2av1 s SER 20 Ca 0.00 2.04 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 2av1 s SER 20 Cb -0.13 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.45 2av1 s SER 20 CO 0.03 -1.09 0.39 -3.20 0.98 0.00 0.00 173.24 170.35 2av1 n ASN 21 N -1.34 -1.15 -4.07 7.02 2.85 0.29 -4.98 115.26 113.88 2av1 n ASN 21 Ca 0.10 -1.81 -0.22 0.00 -0.11 0.00 0.00 54.58 52.54 2av1 n ASN 21 Cb 0.52 1.92 -0.15 0.00 1.24 0.00 0.00 39.78 43.30 2av1 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2av1 s PHE 22 N -5.47 1.22 -0.25 1.20 0.40 -1.26 -1.06 117.98 112.76 2av1 s PHE 22 Ca 0.08 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 2av1 s PHE 22 Cb -0.02 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.63 2av1 s PHE 22 CO 0.06 -0.09 0.20 -1.17 0.70 0.00 0.00 175.22 174.92 2av1 s LEU 23 N -0.02 4.08 -0.03 -0.37 2.96 0.12 -0.91 118.68 124.52 2av1 s LEU 23 Ca -0.00 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2av1 s LEU 23 Cb -0.08 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2av1 s LEU 23 CO 0.01 0.01 -0.15 0.20 -1.32 0.00 0.00 176.35 175.09 2av1 s ASN 24 N 1.31 3.99 -0.21 3.68 0.01 0.20 -1.46 114.94 122.46 2av1 s ASN 24 Ca 0.08 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2av1 s ASN 24 Cb -0.14 -0.80 0.05 0.00 0.41 0.00 0.00 41.25 40.77 2av1 s ASN 24 CO 0.07 0.33 -0.06 0.00 -1.51 0.00 0.00 177.10 175.93 2av1 s TYR 26 N 1.46 3.22 -0.07 0.00 5.04 -0.30 -0.22 117.35 126.48 2av1 s TYR 26 Ca -0.03 0.00 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 2av1 s TYR 26 Cb -0.18 -2.51 -0.03 0.00 0.35 0.00 0.00 41.96 39.60 2av1 s TYR 26 CO -0.07 -0.30 -0.09 0.14 -1.34 0.00 0.00 175.55 173.89 2av1 s VAL 27 N 1.84 3.53 0.23 3.14 -7.23 -0.43 -1.20 120.40 120.29 2av1 s VAL 27 Ca 0.09 -0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 59.57 2av1 s VAL 27 Cb -0.17 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2av1 s VAL 27 CO 0.11 0.59 0.52 -0.94 -0.31 0.00 0.00 175.10 175.06 2av1 s SER 28 N -0.64 -0.15 -0.14 4.85 1.04 -0.88 -1.15 113.70 116.63 2av1 s SER 28 Ca 0.10 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2av1 s SER 28 Cb -0.11 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2av1 s SER 28 CO 0.02 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2av1 n GLY 29 N -0.37 0.51 3.69 7.32 0.00 -0.70 -0.68 105.19 114.96 2av1 n GLY 29 Ca -0.04 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2av1 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2av1 s PHE 30 N -2.01 2.90 -0.27 1.61 -0.71 -1.19 -4.21 117.98 114.11 2av1 s PHE 30 Ca 0.00 -0.12 -0.22 0.00 -1.04 0.00 0.00 56.93 55.55 2av1 s PHE 30 Cb 0.00 -1.40 0.07 0.00 -1.21 0.00 0.00 43.02 40.49 2av1 s PHE 30 CO 0.00 0.52 0.70 -1.58 -1.34 0.00 0.00 175.22 173.52 2av1 s HIS 31 N -1.77 -0.86 0.63 3.49 2.46 -0.77 -0.72 115.29 117.75 2av1 s HIS 31 Ca 0.28 1.96 -0.11 0.00 0.47 0.00 0.00 55.06 57.67 2av1 s HIS 31 Cb -0.09 0.37 0.15 0.00 -0.13 0.00 0.00 32.58 32.87 2av1 s HIS 31 CO 0.20 -0.42 0.79 -0.35 -2.47 0.00 0.00 174.74 172.49 2av1 n PRO 32 N 3.16 -1.09 0.15 2.88 -0.04 -1.26 0.70 135.00 139.50 2av1 n PRO 32 Ca -0.16 -1.23 0.12 0.00 -0.04 0.00 0.00 63.50 62.20 2av1 n PRO 32 Cb 0.56 -0.87 0.26 0.00 -0.04 0.00 0.00 33.50 33.40 2av1 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2av1 h SER 33 N -1.26 0.00 -2.36 3.54 4.64 -2.00 -3.45 113.55 112.67 2av1 h SER 33 Ca -0.26 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.50 2av1 h SER 33 Cb 0.74 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2av1 h SER 33 CO 0.18 0.01 1.25 -1.81 -0.87 0.00 0.00 176.83 175.59 2av1 s ASP 34 N -5.30 6.37 0.12 4.97 1.01 -1.26 -4.97 116.67 117.61 2av1 s ASP 34 Ca 0.08 2.55 -0.19 0.00 0.71 0.00 0.00 52.55 55.70 2av1 s ASP 34 Cb 0.09 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.54 2av1 s ASP 34 CO 0.65 -1.13 0.48 -0.51 0.21 0.00 0.00 175.17 174.87 2av1 s ILE 35 N 4.80 0.04 -0.10 0.77 2.07 -1.26 -4.64 121.20 122.88 2av1 s ILE 35 Ca 0.88 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 59.78 2av1 s ILE 35 Cb -0.41 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.11 2av1 s ILE 35 CO 0.40 -0.20 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.37 2av1 s GLU 36 N -3.57 2.22 -0.06 3.50 2.12 0.48 -4.98 118.70 118.41 2av1 s GLU 36 Ca 0.01 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 2av1 s GLU 36 Cb 0.01 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.57 2av1 s GLU 36 CO -0.11 -0.02 -0.02 0.08 -0.54 0.00 0.00 175.26 174.65 2av1 s VAL 37 N 0.85 0.48 0.08 3.70 1.01 -1.26 -0.96 120.40 124.30 2av1 s VAL 37 Ca -0.10 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2av1 s VAL 37 Cb -0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2av1 s VAL 37 CO 0.01 0.25 -0.14 -1.81 0.00 0.00 0.00 175.10 173.40 2av1 s ASP 38 N 1.44 1.70 -0.11 3.32 1.01 0.11 -4.98 116.67 119.16 2av1 s ASP 38 Ca -0.03 -0.64 -0.03 0.00 0.71 0.00 0.00 52.55 52.56 2av1 s ASP 38 Cb -0.13 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 43.72 2av1 s ASP 38 CO -0.03 -0.09 0.00 -0.76 0.21 0.00 0.00 175.17 174.50 2av1 s LEU 39 N -1.83 3.55 0.06 1.23 1.43 -1.26 -0.46 118.68 121.39 2av1 s LEU 39 Ca -0.01 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 2av1 s LEU 39 Cb -0.09 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2av1 s LEU 39 CO 0.02 0.32 -0.24 -0.76 0.23 0.00 0.00 176.35 175.92 2av1 s LEU 40 N -0.53 2.30 -0.20 1.79 1.43 0.16 -0.48 118.68 123.15 2av1 s LEU 40 Ca 0.09 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2av1 s LEU 40 Cb -0.12 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2av1 s LEU 40 CO 0.02 0.24 -0.12 -0.75 0.23 0.00 0.00 176.35 175.98 2av1 s LYS 41 N -1.43 2.21 -1.60 1.70 2.20 -0.15 -1.94 119.74 120.74 2av1 s LYS 41 Ca 0.13 -0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 54.73 2av1 s LYS 41 Cb -0.10 -2.46 0.11 0.00 -1.51 0.00 0.00 37.83 33.87 2av1 s LYS 41 CO 0.04 -0.40 0.78 0.09 -0.36 0.00 0.00 175.35 175.50 2av1 n ASN 42 N 4.65 -3.17 0.00 1.43 3.02 0.70 -1.40 115.26 120.50 2av1 n ASN 42 Ca -0.16 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2av1 n ASN 42 Cb 0.47 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 2av1 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2av1 n GLY 43 N -1.59 1.57 3.53 7.41 0.00 -1.26 -5.04 105.19 109.80 2av1 n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2av1 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2av1 s GLU 44 N -0.27 3.71 0.21 1.61 2.12 -0.49 -5.00 118.70 120.58 2av1 s GLU 44 Ca 0.00 -0.49 -0.32 0.00 0.36 0.00 0.00 54.97 54.52 2av1 s GLU 44 Cb 0.00 -2.96 -0.12 0.00 0.26 0.00 0.00 34.13 31.31 2av1 s GLU 44 CO 0.00 0.26 1.71 0.50 -0.54 0.00 0.00 175.26 177.19 2av1 s ARG 45 N 0.33 4.13 -0.01 4.30 3.52 -1.26 -0.98 118.95 128.98 2av1 s ARG 45 Ca -0.03 2.60 -0.28 0.00 -0.13 0.00 0.00 55.73 57.89 2av1 s ARG 45 Cb -0.14 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2av1 s ARG 45 CO 0.02 -0.74 0.89 0.42 -0.81 0.00 0.00 175.30 175.09 2av1 s ILE 46 N 1.08 4.88 -0.10 4.11 1.01 0.37 -4.87 121.20 127.69 2av1 s ILE 46 Ca 0.74 1.87 0.15 0.00 0.00 0.00 0.00 60.65 63.40 2av1 s ILE 46 Cb -0.49 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 2av1 s ILE 46 CO 0.33 0.21 1.03 1.05 0.00 0.00 0.00 174.94 177.56 2av1 h GLU 47 N 6.63 0.00 -3.64 2.79 4.11 -1.92 -3.41 114.58 119.15 2av1 h GLU 47 Ca -0.41 0.00 -0.78 0.00 0.07 0.00 0.00 59.36 58.24 2av1 h GLU 47 Cb 1.21 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.23 2av1 h GLU 47 CO 0.75 0.44 1.02 1.63 0.07 0.00 0.00 179.01 182.92 2av1 n LYS 48 N -3.05 3.78 -4.91 1.06 4.76 -1.26 -4.93 118.16 113.61 2av1 n LYS 48 Ca -0.06 -4.19 -0.28 0.00 -2.87 0.00 0.00 58.31 50.91 2av1 n LYS 48 Cb 0.84 -2.71 -0.17 0.00 -1.84 0.00 0.00 35.03 31.15 2av1 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2av1 s VAL 49 N -0.78 1.61 0.35 -0.18 1.01 -1.26 -4.65 120.40 116.50 2av1 s VAL 49 Ca 0.35 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2av1 s VAL 49 Cb -0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2av1 s VAL 49 CO 0.00 0.46 0.23 -0.70 0.00 0.00 0.00 175.10 175.09 2av1 s GLU 50 N 0.50 2.52 0.04 2.72 2.56 -0.22 -4.90 118.70 121.92 2av1 s GLU 50 Ca -0.17 -1.46 -0.03 0.00 0.00 0.00 0.00 54.97 53.30 2av1 s GLU 50 Cb -0.17 -2.30 -0.02 0.00 2.00 0.00 0.00 34.13 33.64 2av1 s GLU 50 CO 0.06 0.06 0.04 -3.38 -0.56 0.00 0.00 175.26 171.49 2av1 s HIS 51 N -2.39 0.30 0.96 5.30 -3.43 -1.26 -0.34 115.29 114.43 2av1 s HIS 51 Ca 0.40 -0.68 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 2av1 s HIS 51 Cb -0.03 -0.22 0.17 0.00 -1.43 0.00 0.00 32.58 31.06 2av1 s HIS 51 CO 0.25 -0.35 1.09 -1.54 -2.00 0.00 0.00 174.74 172.19 2av1 s SER 52 N -2.30 2.91 0.13 7.38 1.04 -0.09 -4.98 113.70 117.78 2av1 s SER 52 Ca -0.03 1.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.40 2av1 s SER 52 Cb 0.01 -1.97 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 2av1 s SER 52 CO -0.06 -2.97 0.97 -1.81 0.98 0.00 0.00 173.24 170.36 2av1 s ASP 53 N -3.44 7.49 0.12 7.02 1.01 -1.26 -4.73 116.67 122.88 2av1 s ASP 53 Ca 0.65 1.84 -0.34 0.00 0.71 0.00 0.00 52.55 55.40 2av1 s ASP 53 Cb -0.18 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.02 2av1 s ASP 53 CO 0.57 -0.06 1.63 -0.11 0.21 0.00 0.00 175.17 177.42 2av1 n LEU 54 N 2.62 3.17 -4.22 1.23 7.94 -1.26 -4.94 117.00 121.54 2av1 n LEU 54 Ca 0.02 1.06 -0.18 0.00 -1.11 0.00 0.00 56.01 55.80 2av1 n LEU 54 Cb 0.49 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 2av1 n LEU 54 CO 0.51 -0.24 -0.02 -0.55 -1.11 0.00 0.00 177.39 175.98 2av1 s SER 55 N 1.45 1.50 0.16 1.96 0.15 -1.19 -5.04 113.70 112.69 2av1 s SER 55 Ca 0.81 -1.69 -0.15 0.00 0.70 0.00 0.00 55.95 55.62 2av1 s SER 55 Cb -0.68 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2av1 s SER 55 CO 0.40 -1.16 0.41 0.72 1.20 0.00 0.00 173.24 174.82 2av1 s PHE 56 N -3.26 -0.00 0.49 3.44 -0.12 -1.26 -1.00 117.98 116.27 2av1 s PHE 56 Ca 0.38 -0.34 0.08 0.00 -0.05 0.00 0.00 56.93 56.99 2av1 s PHE 56 Cb 0.01 0.22 0.08 0.00 -0.63 0.00 0.00 43.02 42.71 2av1 s PHE 56 CO 0.26 -0.79 0.68 0.43 -0.05 0.00 0.00 175.22 175.75 2av1 n SER 57 N -0.26 1.78 0.06 1.98 7.64 -0.46 -4.93 113.62 119.42 2av1 n SER 57 Ca -0.11 -2.30 -0.01 0.00 1.01 0.00 0.00 58.87 57.46 2av1 n SER 57 Cb 0.63 -0.36 0.28 0.00 -1.01 0.00 0.00 64.21 63.74 2av1 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2av1 h LYS 58 N 0.00 0.37 0.00 1.43 3.64 -2.03 -0.60 116.57 119.38 2av1 h LYS 58 Ca -0.23 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2av1 h LYS 58 Cb 1.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2av1 h LYS 58 CO 0.33 0.56 0.00 -0.40 -2.27 0.00 0.00 179.45 177.67 2av1 n ASP 59 N -4.17 0.00 0.00 4.20 5.68 -1.26 -4.88 116.55 116.11 2av1 n ASP 59 Ca -0.00 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2av1 n ASP 59 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2av1 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2av1 n TRP 60 N -0.51 0.00 -2.76 2.11 7.02 -0.23 -5.03 117.44 118.04 2av1 n TRP 60 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2av1 n TRP 60 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 2av1 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2av1 s SER 61 N -3.47 6.91 0.47 -0.99 1.04 -1.26 -4.63 113.70 111.77 2av1 s SER 61 Ca 0.00 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.14 2av1 s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2av1 s SER 61 CO 0.00 -0.38 0.78 -0.36 0.98 0.00 0.00 173.24 174.26 2av1 s PHE 62 N -2.02 3.55 0.01 5.02 0.08 0.10 -1.35 117.98 123.36 2av1 s PHE 62 Ca 0.61 0.83 -0.01 0.00 0.12 0.00 0.00 56.93 58.47 2av1 s PHE 62 Cb -0.12 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.01 2av1 s PHE 62 CO 0.17 -0.25 0.00 1.52 -0.10 0.00 0.00 175.22 176.56 2av1 s TYR 63 N -2.69 0.13 0.02 0.36 -0.85 -0.17 -1.72 117.35 112.43 2av1 s TYR 63 Ca 0.48 -0.27 0.02 0.00 -0.52 0.00 0.00 57.07 56.78 2av1 s TYR 63 Cb -0.10 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 2av1 s TYR 63 CO 0.43 -0.12 -0.07 -0.51 -1.52 0.00 0.00 175.55 173.76 2av1 s LEU 64 N -0.86 2.13 -0.21 -3.49 1.43 -0.30 -3.17 118.68 114.21 2av1 s LEU 64 Ca -0.09 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2av1 s LEU 64 Cb -0.06 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 2av1 s LEU 64 CO -0.00 -0.06 -0.04 -0.22 0.23 0.00 0.00 176.35 176.26 2av1 s LEU 65 N -0.86 2.98 -0.10 1.79 2.96 -1.26 -1.32 118.68 122.87 2av1 s LEU 65 Ca -0.03 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2av1 s LEU 65 Cb -0.06 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2av1 s LEU 65 CO 0.00 0.02 0.05 -0.31 -1.32 0.00 0.00 176.35 174.80 2av1 s TYR 66 N 1.25 3.32 0.02 5.38 1.51 0.69 -0.92 117.35 128.60 2av1 s TYR 66 Ca 0.03 0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 56.18 2av1 s TYR 66 Cb -0.14 -1.86 0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2av1 s TYR 66 CO -0.01 0.55 0.48 1.52 -1.11 0.00 0.00 175.55 176.98 2av1 s TYR 67 N -0.86 -0.38 -0.10 2.71 1.13 0.54 -0.01 117.35 120.38 2av1 s TYR 67 Ca 0.13 0.49 -0.17 0.00 -1.41 0.00 0.00 57.07 56.11 2av1 s TYR 67 Cb -0.12 0.28 0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2av1 s TYR 67 CO 0.03 -0.57 0.44 -0.08 -2.51 0.00 0.00 175.55 172.85 2av1 s THR 68 N -2.03 0.02 0.24 -3.49 -1.32 -0.54 -1.05 115.64 107.46 2av1 s THR 68 Ca -0.08 -0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 2av1 s THR 68 Cb -0.01 -0.68 -0.10 0.00 -1.51 0.00 0.00 72.50 70.20 2av1 s THR 68 CO 0.01 -0.09 1.44 -1.61 -2.21 0.00 0.00 174.62 172.17 2av1 s GLU 69 N -0.48 4.27 0.07 7.08 2.02 -1.26 -0.70 118.70 129.71 2av1 s GLU 69 Ca -0.06 2.29 -0.17 0.00 0.02 0.00 0.00 54.97 57.05 2av1 s GLU 69 Cb -0.03 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.11 2av1 s GLU 69 CO 0.03 -0.43 0.39 -0.59 0.02 0.00 0.00 175.26 174.68 2av1 s PHE 70 N 0.13 -0.21 -0.31 1.61 -0.71 -0.22 -4.85 117.98 113.42 2av1 s PHE 70 Ca 0.60 0.05 -0.00 0.00 -1.04 0.00 0.00 56.93 56.54 2av1 s PHE 70 Cb -0.42 0.21 0.06 0.00 -1.21 0.00 0.00 43.02 41.67 2av1 s PHE 70 CO 0.42 -0.61 0.00 0.99 -1.34 0.00 0.00 175.22 174.68 2av1 s THR 71 N -3.00 2.76 0.46 -4.49 2.01 -1.26 -0.55 115.64 111.57 2av1 s THR 71 Ca -0.02 -1.62 -0.24 0.00 0.31 0.00 0.00 61.69 60.11 2av1 s THR 71 Cb 0.00 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 2av1 s THR 71 CO -0.06 -0.21 1.36 -2.84 -0.69 0.00 0.00 174.62 172.18 2av1 s PRO 72 N 1.17 3.63 0.35 4.92 0.02 -1.26 -4.75 135.00 139.08 2av1 s PRO 72 Ca -0.03 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.29 2av1 s PRO 72 Cb -0.20 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 2av1 s PRO 72 CO -0.03 -0.81 0.09 0.95 -0.33 0.00 0.00 177.00 176.87 2av1 s THR 73 N -1.26 0.90 0.29 0.99 -4.23 -1.26 -0.32 115.64 110.75 2av1 s THR 73 Ca 0.63 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2av1 s THR 73 Cb -0.41 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 70.97 2av1 s THR 73 CO 0.51 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.33 2av1 h GLU 74 N 2.02 0.75 0.00 3.99 4.81 -1.97 -3.29 114.58 120.89 2av1 h GLU 74 Ca -0.39 -0.16 -0.22 0.00 -0.13 0.00 0.00 59.36 58.46 2av1 h GLU 74 Cb 1.26 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2av1 h GLU 74 CO 0.64 0.71 -1.63 0.36 -0.73 0.00 0.00 179.01 178.36 2av1 n LYS 75 N -4.26 0.63 -2.46 1.92 2.85 -1.26 -4.94 118.16 110.64 2av1 n LYS 75 Ca 0.03 0.20 -0.41 0.00 -1.05 0.00 0.00 58.31 57.08 2av1 n LYS 75 Cb 0.24 -1.76 -0.04 0.00 -0.65 0.00 0.00 35.03 32.83 2av1 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2av1 s ASP 76 N -5.78 7.17 -0.10 -5.58 1.01 -1.24 -5.02 116.67 107.13 2av1 s ASP 76 Ca -0.04 2.11 -0.03 0.00 0.71 0.00 0.00 52.55 55.29 2av1 s ASP 76 Cb 0.08 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2av1 s ASP 76 CO 0.82 -0.32 0.01 -1.61 0.21 0.00 0.00 175.17 174.29 2av1 s GLU 77 N 0.01 3.14 0.18 8.23 2.02 -1.26 -4.77 118.70 126.25 2av1 s GLU 77 Ca 0.52 -0.39 0.09 0.00 0.02 0.00 0.00 54.97 55.22 2av1 s GLU 77 Cb -0.30 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2av1 s GLU 77 CO 0.34 0.65 -0.20 0.71 0.02 0.00 0.00 175.26 176.78 2av1 s TYR 78 N -0.72 1.97 0.16 1.61 1.51 -1.26 -0.22 117.35 120.41 2av1 s TYR 78 Ca 0.11 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 2av1 s TYR 78 Cb -0.12 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 2av1 s TYR 78 CO 0.02 0.40 0.44 0.00 -1.11 0.00 0.00 175.55 175.30 2av1 s ALA 79 N -2.00 -0.84 -0.05 3.71 0.00 -0.82 -0.39 121.76 121.38 2av1 s ALA 79 Ca 0.18 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2av1 s ALA 79 Cb -0.06 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 2av1 s ALA 79 CO 0.08 -0.71 -0.15 0.00 0.00 0.00 0.00 175.76 174.98 2av1 s ARG 81 N -0.65 2.25 -0.05 0.00 3.52 0.39 -0.11 118.95 124.31 2av1 s ARG 81 Ca 0.10 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2av1 s ARG 81 Cb -0.11 -1.78 0.01 0.00 -1.56 0.00 0.00 34.95 31.51 2av1 s ARG 81 CO 0.01 0.08 -0.12 0.08 -0.81 0.00 0.00 175.30 174.54 2av1 s VAL 82 N 0.55 1.10 0.02 7.11 1.01 -0.09 -0.71 120.40 129.39 2av1 s VAL 82 Ca -0.16 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2av1 s VAL 82 Cb -0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2av1 s VAL 82 CO 0.06 0.34 -0.25 0.20 0.00 0.00 0.00 175.10 175.44 2av1 s ASN 83 N 0.39 2.98 -0.15 3.32 0.01 -0.13 -0.88 114.94 120.47 2av1 s ASN 83 Ca -0.09 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.23 2av1 s ASN 83 Cb -0.13 -0.29 0.13 0.00 0.41 0.00 0.00 41.25 41.37 2av1 s ASN 83 CO 0.02 0.26 1.02 -2.28 -1.51 0.00 0.00 177.10 174.62 2av1 s HIS 84 N -0.72 -0.32 0.54 2.20 5.65 -1.26 -0.39 115.29 120.99 2av1 s HIS 84 Ca 0.10 0.48 0.26 0.00 0.25 0.00 0.00 55.06 56.16 2av1 s HIS 84 Cb -0.10 0.47 1.44 0.00 -1.18 0.00 0.00 32.58 33.21 2av1 s HIS 84 CO 0.01 -0.34 1.99 -0.24 -0.65 0.00 0.00 174.74 175.51 2av1 h VAL 85 N 2.39 0.65 0.00 0.89 3.04 -1.94 -1.91 116.25 119.37 2av1 h VAL 85 Ca -0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2av1 h VAL 85 Cb 1.18 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2av1 h VAL 85 CO 0.30 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.21 2av1 n THR 86 N -4.23 0.42 -3.93 3.17 -2.24 -1.26 -4.74 114.28 101.46 2av1 n THR 86 Ca 0.09 0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 2av1 n THR 86 Cb 0.60 -0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 2av1 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2av1 s LEU 87 N -3.40 2.93 0.46 3.22 1.43 -0.72 -4.96 118.68 117.63 2av1 s LEU 87 Ca 0.11 -0.37 0.26 0.00 -1.03 0.00 0.00 54.13 53.09 2av1 s LEU 87 Cb 0.15 -1.75 0.86 0.00 0.03 0.00 0.00 46.19 45.48 2av1 s LEU 87 CO 0.47 -0.01 1.80 0.77 0.23 0.00 0.00 176.35 179.60 2av1 h SER 88 N 8.05 0.00 -3.81 2.29 4.64 -1.85 -3.43 113.55 119.44 2av1 h SER 88 Ca -0.41 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.47 2av1 h SER 88 Cb 1.16 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2av1 h SER 88 CO 0.60 0.14 -0.76 -1.10 -0.87 0.00 0.00 176.83 174.84 2av1 s GLN 89 N -3.50 1.13 0.28 4.77 -1.52 -1.26 -5.12 119.66 114.44 2av1 s GLN 89 Ca 0.02 -1.34 -0.30 0.00 -1.95 0.00 0.00 55.36 51.79 2av1 s GLN 89 Cb 0.09 -1.04 -0.12 0.00 -0.22 0.00 0.00 33.01 31.71 2av1 s GLN 89 CO 0.62 0.20 1.61 -2.30 -0.25 0.00 0.00 175.29 175.17 2av1 n PRO 90 N 0.33 2.69 -3.30 2.91 -0.02 -1.26 -4.95 135.00 131.40 2av1 n PRO 90 Ca -0.14 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 2av1 n PRO 90 Cb 0.57 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 2av1 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2av1 s LYS 91 N -0.28 3.91 -0.21 -0.52 2.47 -0.06 -4.90 119.74 120.14 2av1 s LYS 91 Ca 0.66 0.07 -0.05 0.00 -1.56 0.00 0.00 55.97 55.09 2av1 s LYS 91 Cb -0.50 -3.70 -0.02 0.00 -1.46 0.00 0.00 37.83 32.15 2av1 s LYS 91 CO 0.46 -0.41 -0.01 0.42 0.16 0.00 0.00 175.35 175.98 2av1 s ILE 92 N 2.23 3.78 -0.16 5.43 1.01 -1.26 -0.91 121.20 131.32 2av1 s ILE 92 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2av1 s ILE 92 Cb -0.16 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2av1 s ILE 92 CO 0.11 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.61 2av1 s VAL 93 N 1.25 2.48 0.30 2.92 1.01 0.84 -4.95 120.40 124.26 2av1 s VAL 93 Ca 0.03 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2av1 s VAL 93 Cb -0.15 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 2av1 s VAL 93 CO 0.00 0.52 0.99 -0.54 0.00 0.00 0.00 175.10 176.07 2av1 s LYS 94 N 0.99 4.62 0.11 2.72 1.02 -1.26 -0.30 119.74 127.64 2av1 s LYS 94 Ca -0.02 1.50 -0.31 0.00 0.02 0.00 0.00 55.97 57.16 2av1 s LYS 94 Cb -0.15 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 2av1 s LYS 94 CO -0.04 0.28 1.30 -0.46 -0.92 0.00 0.00 175.35 175.51 2av1 s TRP 95 N -1.40 3.33 -0.24 3.18 -0.00 0.48 -4.90 118.94 119.40 2av1 s TRP 95 Ca 0.47 1.14 0.01 0.00 -0.00 0.00 0.00 56.10 57.73 2av1 s TRP 95 Cb -0.24 -3.56 0.06 0.00 -0.00 0.00 0.00 33.47 29.73 2av1 s TRP 95 CO 0.30 -1.83 -0.07 0.34 -0.00 0.00 0.00 176.95 175.69 2av1 s ASP 96 N 0.93 3.95 0.20 5.86 -1.08 -1.26 -4.72 116.67 120.56 2av1 s ASP 96 Ca 0.61 -1.20 0.09 0.00 -0.52 0.00 0.00 52.55 51.52 2av1 s ASP 96 Cb -0.34 -1.26 0.50 0.00 -1.46 0.00 0.00 42.92 40.37 2av1 s ASP 96 CO 0.31 -0.22 1.17 -2.11 0.52 0.00 0.00 175.17 174.84 2av1 n ARG 97 N 4.62 0.06 -0.17 4.34 1.85 -1.26 -0.82 116.66 125.28 2av1 n ARG 97 Ca -0.13 0.49 0.05 0.00 -1.00 0.00 0.00 57.85 57.27 2av1 n ARG 97 Cb 0.44 -1.92 0.15 0.00 -1.05 0.00 0.00 32.46 30.08 2av1 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2av1 n ASP 98 N -1.81 1.83 0.00 2.89 9.92 -1.26 -4.77 116.55 123.35 2av1 n ASP 98 Ca -0.01 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.25 2av1 n ASP 98 Cb 0.23 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2av1 n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56