#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 0.15 -3.81 2.02 5.41 -1.26 -5.01 119.36 116.87 2av1 n ILE 1 Ca 0.00 -0.03 -0.21 0.00 1.00 0.00 0.00 62.75 63.51 2av1 n ILE 1 Cb 0.00 -1.42 -0.17 0.00 -0.71 0.00 0.00 39.64 37.33 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 1.73 0.47 -0.09 0.38 -0.21 -1.26 -4.37 119.66 116.32 2av1 s GLN 2 Ca 0.85 0.13 0.05 0.00 0.02 0.00 0.00 55.36 56.40 2av1 s GLN 2 Cb -0.78 -0.82 -0.00 0.00 1.00 0.00 0.00 33.01 32.41 2av1 s GLN 2 CO 0.45 -0.27 -0.24 1.03 -2.12 0.00 0.00 175.29 174.15 2av1 s ARG 3 N 1.78 2.86 0.28 2.91 0.52 0.26 -4.92 118.95 122.64 2av1 s ARG 3 Ca 0.02 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 2av1 s ARG 3 Cb -0.13 -2.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.01 2av1 s ARG 3 CO -0.04 0.24 1.44 0.99 0.02 0.00 0.00 175.30 177.95 2av1 s THR 4 N 0.19 2.54 0.21 0.02 2.01 -1.26 -1.50 115.64 117.85 2av1 s THR 4 Ca -0.14 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2av1 s THR 4 Cb -0.17 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 2av1 s THR 4 CO 0.07 0.09 1.35 -2.16 -0.69 0.00 0.00 174.62 173.27 2av1 s PRO 5 N -0.76 4.36 0.37 4.92 0.04 -1.26 -4.33 135.00 138.33 2av1 s PRO 5 Ca 0.58 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 63.49 2av1 s PRO 5 Cb -0.43 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 2av1 s PRO 5 CO 0.47 -0.30 0.99 0.15 0.04 0.00 0.00 177.00 178.35 2av1 s LYS 6 N -0.14 4.34 -0.05 4.56 1.02 -0.01 -4.88 119.74 124.58 2av1 s LYS 6 Ca 0.58 1.37 0.02 0.00 0.02 0.00 0.00 55.97 57.96 2av1 s LYS 6 Cb -0.38 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2av1 s LYS 6 CO 0.39 0.04 -0.09 0.42 -0.92 0.00 0.00 175.35 175.19 2av1 s ILE 7 N -1.73 0.87 -0.04 2.17 1.01 -1.26 -1.97 121.20 120.24 2av1 s ILE 7 Ca 0.56 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.89 2av1 s ILE 7 Cb -0.18 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2av1 s ILE 7 CO 0.23 0.29 -0.13 -1.10 0.00 0.00 0.00 174.94 174.23 2av1 s GLN 8 N 0.62 1.50 -0.10 2.79 -0.21 -0.39 -5.01 119.66 118.86 2av1 s GLN 8 Ca -0.11 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2av1 s GLN 8 Cb -0.14 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.58 2av1 s GLN 8 CO 0.02 0.14 -0.19 0.54 -2.12 0.00 0.00 175.29 173.68 2av1 s VAL 9 N 0.27 1.74 0.12 1.09 0.11 -1.26 -0.72 120.40 121.75 2av1 s VAL 9 Ca -0.07 -0.81 -0.26 0.00 -2.93 0.00 0.00 61.98 57.91 2av1 s VAL 9 Cb -0.12 -1.54 0.08 0.00 -1.53 0.00 0.00 36.38 33.27 2av1 s VAL 9 CO 0.02 0.49 1.03 -0.72 -3.33 0.00 0.00 175.10 172.59 2av1 s TYR 10 N 0.65 -0.10 0.15 1.54 1.13 -0.56 -4.56 117.35 115.61 2av1 s TYR 10 Ca -0.13 -0.17 0.05 0.00 -1.41 0.00 0.00 57.07 55.41 2av1 s TYR 10 Cb -0.16 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2av1 s TYR 10 CO 0.03 -0.72 0.13 -1.54 -2.51 0.00 0.00 175.55 170.95 2av1 s SER 11 N -2.98 5.55 0.12 -0.18 1.04 -1.26 0.28 113.70 116.28 2av1 s SER 11 Ca 0.13 -0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.25 2av1 s SER 11 Cb -0.00 -1.47 -0.05 0.00 0.10 0.00 0.00 66.02 64.60 2av1 s SER 11 CO 0.01 0.08 1.69 -0.09 0.98 0.00 0.00 173.24 175.92 2av1 h ARG 12 N 2.53 -0.10 -6.33 4.02 2.43 -1.65 -3.43 114.38 111.84 2av1 h ARG 12 Ca -0.48 0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.10 2av1 h ARG 12 Cb 1.19 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 2av1 h ARG 12 CO 0.64 -0.07 -0.66 -1.01 -1.51 0.00 0.00 179.97 177.36 2av1 s HIS 13 N -6.17 2.82 0.06 2.20 3.76 -1.26 -5.03 115.29 111.66 2av1 s HIS 13 Ca -0.14 -0.15 -0.38 0.00 -0.15 0.00 0.00 55.06 54.24 2av1 s HIS 13 Cb 0.09 -1.35 -0.18 0.00 1.11 0.00 0.00 32.58 32.25 2av1 s HIS 13 CO 0.68 0.53 1.19 -2.30 -0.85 0.00 0.00 174.74 173.98 2av1 n PRO 14 N -0.19 0.63 -2.59 8.40 -0.02 -1.26 -4.85 135.00 135.12 2av1 n PRO 14 Ca -0.09 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 2av1 n PRO 14 Cb 0.56 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.19 3.31 -0.04 3.55 0.00 -1.26 -5.02 121.76 122.49 2av1 s ALA 15 Ca 0.86 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 2av1 s ALA 15 Cb -1.08 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 18.73 2av1 s ALA 15 CO 0.52 -0.19 0.06 -1.21 0.00 0.00 0.00 175.76 174.94 2av1 s GLU 16 N 0.12 -0.07 0.20 0.00 2.02 -1.26 -5.11 118.70 114.59 2av1 s GLU 16 Ca 0.50 0.36 -0.32 0.00 0.02 0.00 0.00 54.97 55.53 2av1 s GLU 16 Cb -0.27 -0.49 -0.14 0.00 0.10 0.00 0.00 34.13 33.33 2av1 s GLU 16 CO 0.32 -0.31 1.41 0.09 0.02 0.00 0.00 175.26 176.78 2av1 n ASN 17 N 5.19 2.58 0.00 -0.19 3.02 -1.26 -1.66 115.26 122.95 2av1 n ASN 17 Ca -0.06 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 2av1 n ASN 17 Cb 0.50 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 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 2.45 1.17 3.44 7.41 0.00 -0.80 -5.00 105.19 113.86 2av1 n GLY 18 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.20 3.43 0.48 1.61 1.02 -0.66 -5.00 119.74 120.41 2av1 s LYS 19 Ca 0.00 -0.61 -0.24 0.00 0.02 0.00 0.00 55.97 55.14 2av1 s LYS 19 Cb 0.00 -2.73 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 2av1 s LYS 19 CO 0.00 0.27 1.33 -1.54 -0.92 0.00 0.00 175.35 174.49 2av1 s SER 20 N 0.24 5.80 0.00 2.83 1.04 -1.26 -4.23 113.70 118.11 2av1 s SER 20 Ca -0.06 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2av1 s SER 20 Cb -0.15 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2av1 s SER 20 CO 0.04 -1.21 0.00 -3.20 0.98 0.00 0.00 173.24 169.85 2av1 n ASN 21 N -0.47 0.00 -4.00 7.02 2.85 0.15 -4.98 115.26 115.82 2av1 n ASN 21 Ca 0.07 -0.91 -0.21 0.00 -0.11 0.00 0.00 54.58 53.43 2av1 n ASN 21 Cb 0.44 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.31 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 -6.79 0.99 -0.15 1.20 0.40 -1.26 -1.12 117.98 111.24 2av1 s PHE 22 Ca 0.00 -0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 2av1 s PHE 22 Cb 0.00 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 2av1 s PHE 22 CO 0.00 -0.12 0.30 -1.17 0.70 0.00 0.00 175.22 174.93 2av1 s LEU 23 N 0.28 4.26 -0.05 -0.37 2.96 0.60 -1.51 118.68 124.85 2av1 s LEU 23 Ca -0.05 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 2av1 s LEU 23 Cb -0.10 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2av1 s LEU 23 CO 0.01 0.12 -0.18 0.20 -1.32 0.00 0.00 176.35 175.17 2av1 s ASN 24 N 0.34 3.68 -0.25 3.68 0.01 0.14 -1.06 114.94 121.49 2av1 s ASN 24 Ca 0.17 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 2av1 s ASN 24 Cb -0.13 -0.78 0.06 0.00 0.41 0.00 0.00 41.25 40.81 2av1 s ASN 24 CO 0.05 0.31 -0.08 0.00 -1.51 0.00 0.00 177.10 175.87 2av1 s TYR 26 N 1.24 3.30 -0.11 0.00 5.04 0.10 -1.48 117.35 125.44 2av1 s TYR 26 Ca -0.07 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2av1 s TYR 26 Cb -0.19 -2.47 -0.02 0.00 0.35 0.00 0.00 41.96 39.63 2av1 s TYR 26 CO -0.06 -0.09 -0.14 0.14 -1.34 0.00 0.00 175.55 174.06 2av1 s VAL 27 N 1.58 2.96 0.24 3.14 -7.23 -0.25 -1.26 120.40 119.58 2av1 s VAL 27 Ca 0.14 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.51 2av1 s VAL 27 Cb -0.15 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2av1 s VAL 27 CO 0.08 0.54 0.39 -0.94 -0.31 0.00 0.00 175.10 174.86 2av1 s SER 28 N 0.18 0.01 -1.54 4.85 1.04 -0.83 -0.95 113.70 116.46 2av1 s SER 28 Ca -0.08 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2av1 s SER 28 Cb -0.15 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2av1 s SER 28 CO 0.05 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2av1 n GLY 29 N -0.36 0.87 3.64 7.32 0.00 -0.53 -0.83 105.19 115.30 2av1 n GLY 29 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 2.80 -0.23 1.61 -0.71 -1.17 -4.37 117.98 113.25 2av1 s PHE 30 Ca 0.00 -0.15 -0.18 0.00 -1.04 0.00 0.00 56.93 55.56 2av1 s PHE 30 Cb 0.00 -1.37 0.06 0.00 -1.21 0.00 0.00 43.02 40.51 2av1 s PHE 30 CO 0.00 0.51 0.60 -1.58 -1.34 0.00 0.00 175.22 173.41 2av1 s HIS 31 N -1.68 -0.77 0.47 3.49 2.46 -0.56 -1.43 115.29 117.27 2av1 s HIS 31 Ca 0.27 1.72 -0.08 0.00 0.47 0.00 0.00 55.06 57.44 2av1 s HIS 31 Cb -0.09 0.34 0.12 0.00 -0.13 0.00 0.00 32.58 32.82 2av1 s HIS 31 CO 0.18 -0.38 0.41 -0.35 -2.47 0.00 0.00 174.74 172.12 2av1 n PRO 32 N 3.39 -1.89 0.08 2.88 -0.04 -1.26 -0.57 135.00 137.59 2av1 n PRO 32 Ca -0.17 -0.66 0.12 0.00 -0.04 0.00 0.00 63.50 62.75 2av1 n PRO 32 Cb 0.57 -0.62 0.06 0.00 -0.04 0.00 0.00 33.50 33.47 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 -1.72 0.00 -2.49 3.54 4.64 -2.00 -3.45 113.55 112.08 2av1 h SER 33 Ca -0.16 -0.11 -0.54 0.00 -0.47 0.00 0.00 61.79 60.52 2av1 h SER 33 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2av1 h SER 33 CO 0.10 0.06 1.16 -1.81 -0.87 0.00 0.00 176.83 175.46 2av1 s ASP 34 N -4.84 6.54 0.01 4.97 1.11 -1.26 -4.96 116.67 118.25 2av1 s ASP 34 Ca 0.02 2.50 -0.08 0.00 0.18 0.00 0.00 52.55 55.18 2av1 s ASP 34 Cb 0.11 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2av1 s ASP 34 CO 0.77 -0.99 0.15 -0.51 1.18 0.00 0.00 175.17 175.77 2av1 s ILE 35 N 4.08 0.09 -0.23 0.77 2.07 -1.26 -4.62 121.20 122.10 2av1 s ILE 35 Ca 0.81 -0.74 -0.04 0.00 -1.41 0.00 0.00 60.65 59.27 2av1 s ILE 35 Cb -0.39 -0.55 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 2av1 s ILE 35 CO 0.36 -0.41 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.25 2av1 s GLU 36 N -1.65 3.30 -0.16 3.50 2.12 0.68 -4.99 118.70 121.51 2av1 s GLU 36 Ca -0.13 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2av1 s GLU 36 Cb -0.06 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.31 2av1 s GLU 36 CO 0.01 -0.24 -0.13 0.08 -0.54 0.00 0.00 175.26 174.44 2av1 s VAL 37 N 1.47 1.53 0.03 3.70 1.01 -1.26 -0.86 120.40 126.01 2av1 s VAL 37 Ca 0.05 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2av1 s VAL 37 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2av1 s VAL 37 CO -0.03 0.39 -0.22 -1.81 0.00 0.00 0.00 175.10 173.43 2av1 s ASP 38 N 1.49 3.45 -0.06 3.32 1.01 -0.31 -4.99 116.67 120.59 2av1 s ASP 38 Ca 0.04 -0.49 -0.15 0.00 0.71 0.00 0.00 52.55 52.66 2av1 s ASP 38 Cb -0.13 -0.45 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 2av1 s ASP 38 CO -0.10 0.27 0.38 -0.76 0.21 0.00 0.00 175.17 175.17 2av1 s LEU 39 N -1.22 4.39 -0.06 1.23 1.43 -1.26 -1.32 118.68 121.87 2av1 s LEU 39 Ca 0.13 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 2av1 s LEU 39 Cb -0.10 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2av1 s LEU 39 CO 0.03 0.23 -0.17 -0.76 0.23 0.00 0.00 176.35 175.91 2av1 s LEU 40 N -0.49 2.57 -0.24 1.79 1.43 0.74 -0.31 118.68 124.18 2av1 s LEU 40 Ca 0.22 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2av1 s LEU 40 Cb -0.15 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.57 2av1 s LEU 40 CO 0.10 0.30 -0.09 -0.75 0.23 0.00 0.00 176.35 176.14 2av1 s LYS 41 N -0.46 2.84 -1.38 1.70 2.20 0.00 -1.77 119.74 122.87 2av1 s LYS 41 Ca 0.05 -0.96 -0.12 0.00 -0.36 0.00 0.00 55.97 54.58 2av1 s LYS 41 Cb -0.12 -2.90 0.10 0.00 -1.51 0.00 0.00 37.83 33.40 2av1 s LYS 41 CO 0.02 -0.37 0.58 0.09 -0.36 0.00 0.00 175.35 175.30 2av1 n ASN 42 N 4.64 -3.50 0.00 1.43 3.02 0.57 -1.65 115.26 119.77 2av1 n ASN 42 Ca -0.17 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2av1 n ASN 42 Cb 0.47 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 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 -1.22 0.41 3.55 7.41 0.00 -1.26 -5.05 105.19 109.03 2av1 n GLY 43 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2av1 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2av1 s GLU 44 N -0.90 2.25 0.10 1.61 0.41 -0.66 -5.03 118.70 116.48 2av1 s GLU 44 Ca 0.00 -0.92 -0.31 0.00 -0.41 0.00 0.00 54.97 53.33 2av1 s GLU 44 Cb 0.00 -2.34 -0.10 0.00 -1.78 0.00 0.00 34.13 29.92 2av1 s GLU 44 CO 0.00 0.55 1.81 0.50 -0.49 0.00 0.00 175.26 177.62 2av1 s ARG 45 N -1.77 4.15 0.08 1.61 3.52 -1.26 -0.82 118.95 124.47 2av1 s ARG 45 Ca 0.18 2.53 -0.30 0.00 -0.13 0.00 0.00 55.73 58.02 2av1 s ARG 45 Cb -0.11 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 2av1 s ARG 45 CO 0.10 -0.84 1.08 0.42 -0.81 0.00 0.00 175.30 175.24 2av1 s ILE 46 N 2.99 4.30 -0.02 4.11 1.01 0.58 -4.88 121.20 129.29 2av1 s ILE 46 Ca 0.80 1.76 -0.17 0.00 0.00 0.00 0.00 60.65 63.05 2av1 s ILE 46 Cb -0.44 -4.13 -0.33 0.00 0.01 0.00 0.00 42.46 37.58 2av1 s ILE 46 CO 0.36 0.20 0.85 -0.33 0.00 0.00 0.00 174.94 176.03 2av1 h GLU 47 N 6.17 0.42 -4.16 2.79 4.39 -1.93 -3.41 114.58 118.84 2av1 h GLU 47 Ca -0.42 -0.72 -0.76 0.00 0.34 0.00 0.00 59.36 57.80 2av1 h GLU 47 Cb 1.21 0.27 -0.24 0.00 -0.10 0.00 0.00 28.75 29.89 2av1 h GLU 47 CO 0.76 1.34 0.28 0.21 -1.16 0.00 0.00 179.01 180.44 2av1 s LYS 48 N -2.54 3.58 -0.08 2.33 2.20 -1.26 -4.98 119.74 118.99 2av1 s LYS 48 Ca -0.13 -2.24 0.01 0.00 -0.36 0.00 0.00 55.97 53.25 2av1 s LYS 48 Cb 0.03 -4.55 0.02 0.00 -1.51 0.00 0.00 37.83 31.83 2av1 s LYS 48 CO 0.88 -1.42 -0.09 0.08 -0.36 0.00 0.00 175.35 174.44 2av1 s VAL 49 N 0.90 0.98 0.39 4.02 1.01 -1.26 -4.74 120.40 121.70 2av1 s VAL 49 Ca 0.21 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2av1 s VAL 49 Cb -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2av1 s VAL 49 CO -0.08 0.34 0.32 -1.61 0.00 0.00 0.00 175.10 174.06 2av1 s GLU 50 N 1.19 2.52 0.04 2.72 2.02 -0.33 -4.92 118.70 121.94 2av1 s GLU 50 Ca -0.05 -1.52 -0.00 0.00 0.02 0.00 0.00 54.97 53.41 2av1 s GLU 50 Cb -0.14 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 2av1 s GLU 50 CO -0.02 -0.10 -0.03 -3.38 0.02 0.00 0.00 175.26 171.74 2av1 s HIS 51 N -2.45 0.41 0.97 1.61 -3.43 -1.26 -0.85 115.29 110.28 2av1 s HIS 51 Ca 0.45 -0.75 -0.11 0.00 -0.80 0.00 0.00 55.06 53.85 2av1 s HIS 51 Cb -0.03 -0.29 0.17 0.00 -1.43 0.00 0.00 32.58 31.00 2av1 s HIS 51 CO 0.27 -0.26 1.09 -1.54 -2.00 0.00 0.00 174.74 172.30 2av1 s SER 52 N -2.08 2.70 0.08 7.38 1.04 0.63 -4.99 113.70 118.46 2av1 s SER 52 Ca -0.06 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 2av1 s SER 52 Cb -0.03 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 2av1 s SER 52 CO -0.04 -3.16 1.02 -1.81 0.98 0.00 0.00 173.24 170.22 2av1 s ASP 53 N -2.95 7.36 -0.00 7.02 1.01 -1.26 -4.76 116.67 123.09 2av1 s ASP 53 Ca 0.66 1.82 -0.36 0.00 0.71 0.00 0.00 52.55 55.38 2av1 s ASP 53 Cb -0.21 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 40.99 2av1 s ASP 53 CO 0.59 -0.21 1.62 -0.11 0.21 0.00 0.00 175.17 177.28 2av1 n LEU 54 N 3.25 2.68 0.00 1.23 7.94 -1.26 -4.95 117.00 125.88 2av1 n LEU 54 Ca 0.04 1.06 -0.16 0.00 -1.11 0.00 0.00 56.01 55.84 2av1 n LEU 54 Cb 0.49 -1.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 2av1 n LEU 54 CO 0.52 -0.45 -0.08 -0.24 -1.11 0.00 0.00 177.39 176.03 2av1 n SER 55 N 4.36 -0.55 -3.68 1.96 2.88 -1.23 -5.05 113.62 112.31 2av1 n SER 55 Ca 0.21 -2.83 -0.11 0.00 -1.33 0.00 0.00 58.87 54.81 2av1 n SER 55 Cb 0.23 1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 65.02 2av1 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2av1 s PHE 56 N -3.12 -0.16 0.76 0.66 -0.12 -1.26 -1.58 117.98 113.16 2av1 s PHE 56 Ca 0.33 -0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 57.07 2av1 s PHE 56 Cb 0.02 0.19 0.12 0.00 -0.63 0.00 0.00 43.02 42.72 2av1 s PHE 56 CO 0.23 -0.63 1.06 -1.12 -0.05 0.00 0.00 175.22 174.72 2av1 s SER 57 N -2.53 4.22 0.45 1.98 0.01 0.37 -4.91 113.70 113.28 2av1 s SER 57 Ca 0.00 -0.03 0.24 0.00 1.31 0.00 0.00 55.95 57.47 2av1 s SER 57 Cb 0.01 -0.36 1.24 0.00 0.21 0.00 0.00 66.02 67.13 2av1 s SER 57 CO -0.09 -1.96 1.81 0.11 0.41 0.00 0.00 173.24 173.53 2av1 h LYS 58 N -0.76 0.26 -0.52 12.44 1.57 -2.03 -0.75 116.57 126.79 2av1 h LYS 58 Ca -0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2av1 h LYS 58 Cb 1.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2av1 h LYS 58 CO 0.44 0.17 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 2av1 n ASP 59 N -4.46 2.55 0.00 0.86 5.75 -1.26 -4.91 116.55 115.08 2av1 n ASP 59 Ca 0.23 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2av1 n ASP 59 Cb 0.92 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2av1 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2av1 n TRP 60 N 0.55 0.00 -2.70 2.11 7.02 -0.29 -5.02 117.44 119.11 2av1 n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2av1 n TRP 60 Cb 0.46 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.30 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 -3.32 7.04 0.54 -0.99 1.04 -1.26 -4.68 113.70 112.08 2av1 s SER 61 Ca 0.00 1.88 -0.09 0.00 0.48 0.00 0.00 55.95 58.22 2av1 s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2av1 s SER 61 CO 0.00 -0.28 0.91 -0.36 0.98 0.00 0.00 173.24 174.48 2av1 s PHE 62 N -1.75 3.58 -0.04 5.02 0.08 -0.51 -0.48 117.98 123.87 2av1 s PHE 62 Ca 0.55 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 58.56 2av1 s PHE 62 Cb -0.18 -2.53 0.02 0.00 -0.57 0.00 0.00 43.02 39.77 2av1 s PHE 62 CO 0.23 -0.45 0.30 1.52 -0.10 0.00 0.00 175.22 176.72 2av1 s TYR 63 N -2.89 -0.22 -0.02 0.36 -0.85 -0.62 -1.45 117.35 111.66 2av1 s TYR 63 Ca 0.52 0.41 -0.07 0.00 -0.52 0.00 0.00 57.07 57.41 2av1 s TYR 63 Cb -0.11 0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.34 2av1 s TYR 63 CO 0.47 -0.32 0.15 -0.51 -1.52 0.00 0.00 175.55 173.81 2av1 s LEU 64 N -0.92 1.49 -0.19 -3.49 1.43 -0.13 -3.58 118.68 113.30 2av1 s LEU 64 Ca -0.10 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2av1 s LEU 64 Cb -0.05 0.62 -0.01 0.00 0.03 0.00 0.00 46.19 46.79 2av1 s LEU 64 CO 0.03 -0.24 -0.06 -0.22 0.23 0.00 0.00 176.35 176.08 2av1 s LEU 65 N -0.79 2.90 -0.12 1.79 2.96 -1.26 -1.10 118.68 123.07 2av1 s LEU 65 Ca -0.09 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 2av1 s LEU 65 Cb -0.05 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2av1 s LEU 65 CO 0.01 0.06 0.07 -0.31 -1.32 0.00 0.00 176.35 174.86 2av1 s TYR 66 N 1.03 3.36 -0.00 5.38 1.51 -0.55 -0.27 117.35 127.81 2av1 s TYR 66 Ca 0.00 0.32 -0.20 0.00 -1.01 0.00 0.00 57.07 56.18 2av1 s TYR 66 Cb -0.15 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2av1 s TYR 66 CO -0.00 0.52 0.43 1.52 -1.11 0.00 0.00 175.55 176.92 2av1 s TYR 67 N -0.70 -0.33 -0.10 2.71 1.13 -0.03 0.17 117.35 120.19 2av1 s TYR 67 Ca 0.12 0.46 -0.12 0.00 -1.41 0.00 0.00 57.07 56.12 2av1 s TYR 67 Cb -0.12 0.22 0.03 0.00 -1.10 0.00 0.00 41.96 40.99 2av1 s TYR 67 CO 0.03 -0.51 0.33 -0.08 -2.51 0.00 0.00 175.55 172.81 2av1 s THR 68 N -1.70 0.01 0.28 -3.49 -1.32 -0.22 -1.19 115.64 108.02 2av1 s THR 68 Ca -0.10 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 2av1 s THR 68 Cb -0.02 -0.50 -0.12 0.00 -1.51 0.00 0.00 72.50 70.35 2av1 s THR 68 CO 0.03 -0.05 1.54 -0.62 -2.21 0.00 0.00 174.62 173.31 2av1 n GLU 69 N 2.58 2.52 -3.67 7.08 1.02 -1.26 -0.29 120.64 128.62 2av1 n GLU 69 Ca -0.15 0.90 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 2av1 n GLU 69 Cb 0.57 -2.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.30 2av1 n GLU 69 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2av1 s PHE 70 N -0.05 -0.15 -0.25 -0.32 -0.71 -0.28 -4.81 117.98 111.41 2av1 s PHE 70 Ca 0.65 -0.18 -0.00 0.00 -1.04 0.00 0.00 56.93 56.35 2av1 s PHE 70 Cb -0.54 0.23 0.04 0.00 -1.21 0.00 0.00 43.02 41.54 2av1 s PHE 70 CO 0.49 -0.70 -0.08 0.99 -1.34 0.00 0.00 175.22 174.59 2av1 s THR 71 N -3.82 2.65 0.51 -4.49 2.01 -1.26 0.31 115.64 111.55 2av1 s THR 71 Ca 0.04 -1.22 -0.21 0.00 0.31 0.00 0.00 61.69 60.61 2av1 s THR 71 Cb 0.02 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 2av1 s THR 71 CO -0.11 0.13 1.16 -2.16 -0.69 0.00 0.00 174.62 172.95 2av1 s PRO 72 N 1.26 3.52 0.36 4.92 0.04 -1.26 -4.80 135.00 139.04 2av1 s PRO 72 Ca -0.02 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.78 2av1 s PRO 72 Cb -0.18 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2av1 s PRO 72 CO -0.05 -0.74 0.07 0.95 0.04 0.00 0.00 177.00 177.27 2av1 s THR 73 N -1.64 1.13 0.25 1.26 -4.23 -1.26 -1.91 115.64 109.24 2av1 s THR 73 Ca 0.69 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 2av1 s THR 73 Cb -0.27 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.13 2av1 s THR 73 CO 0.32 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.20 2av1 h GLU 74 N 1.98 1.11 0.00 3.99 4.81 -1.97 -3.34 114.58 121.17 2av1 h GLU 74 Ca -0.40 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 58.49 2av1 h GLU 74 Cb 1.25 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2av1 h GLU 74 CO 0.68 0.74 -2.05 1.63 -0.73 0.00 0.00 179.01 179.28 2av1 n LYS 75 N -4.51 0.66 -2.17 1.92 5.02 -1.26 -4.94 118.16 112.88 2av1 n LYS 75 Ca 0.13 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 2av1 n LYS 75 Cb 0.13 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 2av1 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2av1 s ASP 76 N -5.53 6.83 -0.07 4.39 1.01 -1.25 -5.02 116.67 117.04 2av1 s ASP 76 Ca -0.08 2.41 -0.05 0.00 0.71 0.00 0.00 52.55 55.54 2av1 s ASP 76 Cb 0.08 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2av1 s ASP 76 CO 0.84 -0.60 0.17 -1.61 0.21 0.00 0.00 175.17 174.18 2av1 s GLU 77 N 0.31 3.46 0.13 8.23 2.02 -1.26 -4.75 118.70 126.84 2av1 s GLU 77 Ca 0.60 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.47 2av1 s GLU 77 Cb -0.37 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2av1 s GLU 77 CO 0.36 0.73 -0.16 0.71 0.02 0.00 0.00 175.26 176.92 2av1 s TYR 78 N -1.16 1.55 0.22 1.61 1.51 -1.26 -0.31 117.35 119.49 2av1 s TYR 78 Ca 0.21 -0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 55.55 2av1 s TYR 78 Cb -0.12 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 2av1 s TYR 78 CO 0.11 0.20 0.60 0.00 -1.11 0.00 0.00 175.55 175.34 2av1 s ALA 79 N -2.05 -1.12 -0.06 3.71 0.00 -0.73 -0.85 121.76 120.66 2av1 s ALA 79 Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.98 2av1 s ALA 79 Cb -0.05 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2av1 s ALA 79 CO 0.04 -0.87 -0.21 0.00 0.00 0.00 0.00 175.76 174.72 2av1 s ARG 81 N -0.35 2.82 -0.04 0.00 3.52 -0.43 -0.34 118.95 124.13 2av1 s ARG 81 Ca 0.02 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 2av1 s ARG 81 Cb -0.12 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2av1 s ARG 81 CO 0.02 -0.09 -0.21 0.08 -0.81 0.00 0.00 175.30 174.29 2av1 s VAL 82 N 1.03 1.71 0.07 7.11 1.01 0.51 -1.16 120.40 130.69 2av1 s VAL 82 Ca -0.03 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2av1 s VAL 82 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2av1 s VAL 82 CO -0.06 0.48 -0.17 0.21 0.00 0.00 0.00 175.10 175.57 2av1 s ASN 83 N -0.19 2.02 0.17 3.32 3.04 -0.04 -0.98 114.94 122.28 2av1 s ASN 83 Ca -0.00 -0.60 -0.23 0.00 0.04 0.00 0.00 52.86 52.07 2av1 s ASN 83 Cb -0.11 -0.10 0.06 0.00 -1.54 0.00 0.00 41.25 39.56 2av1 s ASN 83 CO 0.02 0.01 0.64 -2.28 -3.04 0.00 0.00 177.10 172.45 2av1 s HIS 84 N -1.11 -0.47 0.48 0.43 5.65 -1.26 -0.23 115.29 118.77 2av1 s HIS 84 Ca 0.02 0.23 0.16 0.00 0.25 0.00 0.00 55.06 55.72 2av1 s HIS 84 Cb -0.09 0.58 1.15 0.00 -1.18 0.00 0.00 32.58 33.04 2av1 s HIS 84 CO 0.03 -0.89 2.04 -0.39 -0.65 0.00 0.00 174.74 174.88 2av1 h VAL 85 N 2.00 0.92 0.00 0.89 -1.51 -1.94 -1.82 116.25 114.79 2av1 h VAL 85 Ca -0.31 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2av1 h VAL 85 Cb 1.30 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2av1 h VAL 85 CO 0.35 0.04 0.00 0.35 -1.23 0.00 0.00 177.57 177.08 2av1 n THR 86 N -4.47 0.00 -5.25 7.19 -2.24 -1.26 -4.80 114.28 103.44 2av1 n THR 86 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 2av1 n THR 86 Cb 0.29 -0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.96 2.07 0.18 3.22 1.43 -0.69 -4.95 118.68 117.99 2av1 s LEU 87 Ca 0.32 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2av1 s LEU 87 Cb 0.15 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 45.04 2av1 s LEU 87 CO 0.25 0.22 1.42 0.77 0.23 0.00 0.00 176.35 179.24 2av1 h SER 88 N 6.24 0.21 -5.18 2.29 4.64 -1.87 -3.42 113.55 116.46 2av1 h SER 88 Ca -0.28 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 2av1 h SER 88 Cb 1.19 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.06 2av1 h SER 88 CO 0.47 0.93 -0.65 -1.10 -0.87 0.00 0.00 176.83 175.62 2av1 s GLN 89 N -3.30 0.58 0.15 4.77 -0.21 -1.26 -5.12 119.66 115.27 2av1 s GLN 89 Ca -0.03 -1.06 -0.34 0.00 0.02 0.00 0.00 55.36 53.95 2av1 s GLN 89 Cb 0.11 0.21 -0.15 0.00 1.00 0.00 0.00 33.01 34.17 2av1 s GLN 89 CO 0.82 -0.12 1.33 -2.30 -2.12 0.00 0.00 175.29 172.90 2av1 n PRO 90 N 0.39 1.46 -3.28 2.91 -0.02 -1.26 -4.94 135.00 130.26 2av1 n PRO 90 Ca -0.16 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 2av1 n PRO 90 Cb 0.60 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.13 4.28 -0.24 -0.52 2.47 -0.15 -4.86 119.74 120.84 2av1 s LYS 91 Ca 0.77 0.45 -0.05 0.00 -1.56 0.00 0.00 55.97 55.58 2av1 s LYS 91 Cb -0.83 -3.49 -0.00 0.00 -1.46 0.00 0.00 37.83 32.05 2av1 s LYS 91 CO 0.48 0.03 0.00 0.42 0.16 0.00 0.00 175.35 176.44 2av1 s ILE 92 N 1.03 3.60 -0.24 5.43 1.01 -1.26 -0.36 121.20 130.41 2av1 s ILE 92 Ca 0.26 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 2av1 s ILE 92 Cb -0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2av1 s ILE 92 CO 0.10 0.31 0.11 -0.69 0.00 0.00 0.00 174.94 174.77 2av1 s VAL 93 N 1.49 4.77 0.40 2.92 1.01 0.54 -4.96 120.40 126.58 2av1 s VAL 93 Ca 0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 2av1 s VAL 93 Cb -0.15 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2av1 s VAL 93 CO -0.01 0.34 0.86 -0.54 0.00 0.00 0.00 175.10 175.76 2av1 s LYS 94 N 1.32 4.09 -0.08 2.72 1.02 -1.26 -1.00 119.74 126.55 2av1 s LYS 94 Ca 0.06 0.90 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 2av1 s LYS 94 Cb -0.15 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2av1 s LYS 94 CO 0.05 0.02 1.23 -0.46 -0.92 0.00 0.00 175.35 175.27 2av1 s TRP 95 N -2.16 3.07 -0.33 3.18 -0.00 -0.03 -4.88 118.94 117.80 2av1 s TRP 95 Ca 0.58 1.13 0.01 0.00 -0.00 0.00 0.00 56.10 57.82 2av1 s TRP 95 Cb -0.10 -3.46 0.08 0.00 -0.00 0.00 0.00 33.47 30.00 2av1 s TRP 95 CO 0.17 -1.48 0.05 0.34 -0.00 0.00 0.00 176.95 176.03 2av1 s ASP 96 N 1.64 4.86 -0.00 5.86 -1.08 -1.26 -4.72 116.67 121.97 2av1 s ASP 96 Ca 0.56 -1.77 -0.00 0.00 -0.52 0.00 0.00 52.55 50.82 2av1 s ASP 96 Cb -0.24 -1.69 -0.01 0.00 -1.46 0.00 0.00 42.92 39.52 2av1 s ASP 96 CO 0.20 -0.36 0.61 -2.11 0.52 0.00 0.00 175.17 174.03 2av1 n ARG 97 N 4.46 0.06 -0.11 4.34 1.85 -1.26 -0.62 116.66 125.38 2av1 n ARG 97 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2av1 n ARG 97 Cb 0.42 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 3.06 0.00 0.00 2.89 8.00 -1.26 -4.88 116.55 124.35 2av1 n ASP 98 Ca 0.01 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2av1 n ASP 98 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2av1 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04