#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2av7 n ILE 1 N 0.00 0.10 -3.94 2.02 5.41 -1.26 -5.01 119.36 116.69 2av7 n ILE 1 Ca 0.00 -0.02 -0.23 0.00 1.00 0.00 0.00 62.75 63.50 2av7 n ILE 1 Cb 0.00 -1.93 -0.17 0.00 -0.71 0.00 0.00 39.64 36.82 2av7 n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2av7 s GLN 2 N 1.57 0.86 0.00 0.38 -0.21 -1.26 -4.32 119.66 116.69 2av7 s GLN 2 Ca 0.78 -0.03 0.06 0.00 0.02 0.00 0.00 55.36 56.19 2av7 s GLN 2 Cb -0.54 -1.05 -0.02 0.00 1.00 0.00 0.00 33.01 32.41 2av7 s GLN 2 CO 0.35 -0.22 -0.20 1.03 -2.12 0.00 0.00 175.29 174.13 2av7 s ARG 3 N 1.56 1.53 0.08 2.91 0.52 0.34 -4.90 118.95 120.99 2av7 s ARG 3 Ca -0.01 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 2av7 s ARG 3 Cb -0.13 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.76 2av7 s ARG 3 CO -0.04 0.41 0.88 0.99 0.02 0.00 0.00 175.30 177.56 2av7 s THR 4 N -0.56 4.62 0.36 0.02 2.01 -1.26 -1.75 115.64 119.08 2av7 s THR 4 Ca 0.07 1.88 -0.28 0.00 0.31 0.00 0.00 61.69 63.67 2av7 s THR 4 Cb -0.08 -4.23 -0.11 0.00 0.01 0.00 0.00 72.50 68.09 2av7 s THR 4 CO -0.00 0.33 1.40 -2.16 -0.69 0.00 0.00 174.62 173.50 2av7 s PRO 5 N 0.03 4.21 0.18 4.92 0.04 -1.26 -4.36 135.00 138.76 2av7 s PRO 5 Ca 0.43 2.41 -0.08 0.00 0.04 0.00 0.00 61.00 63.80 2av7 s PRO 5 Cb -0.22 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 2av7 s PRO 5 CO 0.27 -0.38 0.47 0.15 0.04 0.00 0.00 177.00 177.55 2av7 s LYS 6 N -1.97 3.74 -0.03 4.56 1.02 0.74 -4.90 119.74 122.90 2av7 s LYS 6 Ca 0.51 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.67 2av7 s LYS 6 Cb -0.43 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2av7 s LYS 6 CO 0.58 0.40 -0.06 0.42 -0.92 0.00 0.00 175.35 175.77 2av7 s ILE 7 N -1.70 0.62 -0.06 2.17 1.01 -1.26 -1.77 121.20 120.21 2av7 s ILE 7 Ca 0.43 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2av7 s ILE 7 Cb -0.12 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.77 2av7 s ILE 7 CO 0.22 0.22 -0.12 -1.10 0.00 0.00 0.00 174.94 174.16 2av7 s GLN 8 N 0.50 1.61 -0.12 2.79 -0.21 -0.45 -4.99 119.66 118.78 2av7 s GLN 8 Ca -0.07 -0.40 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2av7 s GLN 8 Cb -0.11 -1.35 0.01 0.00 1.00 0.00 0.00 33.01 32.56 2av7 s GLN 8 CO 0.00 0.04 -0.22 0.54 -2.12 0.00 0.00 175.29 173.53 2av7 s VAL 9 N 0.62 2.00 0.05 1.09 0.11 -1.26 -0.56 120.40 122.45 2av7 s VAL 9 Ca -0.13 -0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 57.68 2av7 s VAL 9 Cb -0.15 -1.76 0.09 0.00 -1.53 0.00 0.00 36.38 33.03 2av7 s VAL 9 CO 0.03 0.54 0.93 -0.72 -3.33 0.00 0.00 175.10 172.56 2av7 s TYR 10 N 0.64 -0.25 0.07 1.54 1.13 -0.70 -4.62 117.35 115.16 2av7 s TYR 10 Ca -0.12 0.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2av7 s TYR 10 Cb -0.16 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2av7 s TYR 10 CO 0.02 -0.63 0.24 -1.54 -2.51 0.00 0.00 175.55 171.13 2av7 s SER 11 N -2.66 6.38 0.21 -0.18 1.04 -1.26 -0.50 113.70 116.73 2av7 s SER 11 Ca 0.08 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 2av7 s SER 11 Cb -0.01 -1.98 0.30 0.00 0.10 0.00 0.00 66.02 64.42 2av7 s SER 11 CO -0.05 0.15 1.70 -0.09 0.98 0.00 0.00 173.24 175.93 2av7 h ARG 12 N 3.05 0.22 -6.19 4.02 2.43 -1.34 -3.44 114.38 113.12 2av7 h ARG 12 Ca -0.45 -0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.10 2av7 h ARG 12 Cb 1.16 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 2av7 h ARG 12 CO 0.75 0.15 -0.74 -1.01 -1.51 0.00 0.00 179.97 177.61 2av7 s HIS 13 N -6.12 2.35 0.04 2.20 3.76 -1.26 -5.02 115.29 111.25 2av7 s HIS 13 Ca -0.13 -0.33 -0.38 0.00 -0.15 0.00 0.00 55.06 54.07 2av7 s HIS 13 Cb 0.18 -1.05 -0.18 0.00 1.11 0.00 0.00 32.58 32.64 2av7 s HIS 13 CO 0.74 0.70 1.21 -2.30 -0.85 0.00 0.00 174.74 174.23 2av7 n PRO 14 N -0.67 0.58 -2.35 8.40 -0.02 -1.26 -4.86 135.00 134.82 2av7 n PRO 14 Ca -0.05 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 2av7 n PRO 14 Cb 0.60 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 2av7 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2av7 s ALA 15 N 0.25 3.46 -0.09 3.55 0.00 -1.26 -5.00 121.76 122.67 2av7 s ALA 15 Ca 0.88 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 53.73 2av7 s ALA 15 Cb -1.11 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 18.55 2av7 s ALA 15 CO 0.52 -0.55 -0.06 -1.21 0.00 0.00 0.00 175.76 174.46 2av7 s GLU 16 N 1.29 1.28 -0.05 0.00 2.02 -1.26 -5.10 118.70 116.88 2av7 s GLU 16 Ca 0.60 -0.17 -0.37 0.00 0.02 0.00 0.00 54.97 55.05 2av7 s GLU 16 Cb -0.31 -1.37 -0.15 0.00 0.10 0.00 0.00 34.13 32.40 2av7 s GLU 16 CO 0.29 -0.24 1.63 0.09 0.02 0.00 0.00 175.26 177.05 2av7 n ASN 17 N 4.83 2.57 0.00 -0.19 3.02 -1.26 -1.52 115.26 122.72 2av7 n ASN 17 Ca -0.13 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 2av7 n ASN 17 Cb 0.50 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2av7 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2av7 n GLY 18 N 3.64 0.76 3.53 7.41 0.00 0.02 -4.99 105.19 115.56 2av7 n GLY 18 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2av7 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2av7 s LYS 19 N -0.68 3.44 0.51 1.61 1.02 -0.57 -5.00 119.74 120.06 2av7 s LYS 19 Ca 0.00 -0.51 -0.19 0.00 0.02 0.00 0.00 55.97 55.29 2av7 s LYS 19 Cb 0.00 -2.85 -0.08 0.00 -0.52 0.00 0.00 37.83 34.39 2av7 s LYS 19 CO 0.00 0.37 1.02 -1.54 -0.92 0.00 0.00 175.35 174.28 2av7 s SER 20 N 0.01 6.33 0.00 2.83 1.04 -1.26 -4.13 113.70 118.52 2av7 s SER 20 Ca 0.01 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2av7 s SER 20 Cb -0.13 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2av7 s SER 20 CO 0.03 -0.79 0.00 -3.20 0.98 0.00 0.00 173.24 170.26 2av7 n ASN 21 N -1.28 0.00 -3.95 7.02 2.85 -0.17 -5.00 115.26 114.73 2av7 n ASN 21 Ca 0.08 -0.88 -0.18 0.00 -0.11 0.00 0.00 54.58 53.49 2av7 n ASN 21 Cb 0.53 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.40 2av7 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2av7 s PHE 22 N -8.21 0.65 -0.18 1.20 0.40 -1.26 -1.91 117.98 108.67 2av7 s PHE 22 Ca 0.00 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 2av7 s PHE 22 Cb 0.00 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 2av7 s PHE 22 CO 0.00 -0.08 0.20 -1.17 0.70 0.00 0.00 175.22 174.88 2av7 s LEU 23 N 0.26 4.22 -0.04 -0.37 2.96 0.60 -0.79 118.68 125.52 2av7 s LEU 23 Ca -0.03 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 2av7 s LEU 23 Cb -0.07 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 2av7 s LEU 23 CO -0.00 0.14 -0.17 0.20 -1.32 0.00 0.00 176.35 175.20 2av7 s ASN 24 N 0.41 3.81 -0.23 3.68 0.01 0.34 -1.20 114.94 121.76 2av7 s ASN 24 Ca 0.12 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 2av7 s ASN 24 Cb -0.12 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.87 2av7 s ASN 24 CO 0.01 0.34 -0.07 0.00 -1.51 0.00 0.00 177.10 175.87 2av7 s TYR 26 N 1.39 3.19 -0.17 0.00 5.04 0.28 -0.89 117.35 126.18 2av7 s TYR 26 Ca -0.05 -0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 54.33 2av7 s TYR 26 Cb -0.18 -2.79 -0.04 0.00 0.35 0.00 0.00 41.96 39.31 2av7 s TYR 26 CO -0.06 -0.57 0.03 0.14 -1.34 0.00 0.00 175.55 173.74 2av7 s VAL 27 N 2.09 4.47 0.26 3.14 -7.23 -0.53 -1.34 120.40 121.25 2av7 s VAL 27 Ca 0.12 -0.15 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 2av7 s VAL 27 Cb -0.17 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 2av7 s VAL 27 CO 0.13 0.48 0.44 -0.94 -0.31 0.00 0.00 175.10 174.90 2av7 s SER 28 N 0.28 0.10 -1.02 4.85 1.04 -0.73 -0.63 113.70 117.59 2av7 s SER 28 Ca 0.01 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2av7 s SER 28 Cb -0.13 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2av7 s SER 28 CO 0.01 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2av7 n GLY 29 N -0.40 1.09 3.76 7.32 0.00 -0.70 -0.19 105.19 116.07 2av7 n GLY 29 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2av7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2av7 s PHE 30 N -2.24 2.93 -0.24 1.61 -0.71 -1.12 -4.18 117.98 114.02 2av7 s PHE 30 Ca 0.00 -0.18 -0.25 0.00 -1.04 0.00 0.00 56.93 55.46 2av7 s PHE 30 Cb 0.00 -1.38 0.07 0.00 -1.21 0.00 0.00 43.02 40.49 2av7 s PHE 30 CO 0.00 0.51 0.70 -1.58 -1.34 0.00 0.00 175.22 173.51 2av7 s HIS 31 N -2.23 -0.76 0.45 3.49 2.46 -0.71 -1.14 115.29 116.85 2av7 s HIS 31 Ca 0.33 1.80 -0.08 0.00 0.47 0.00 0.00 55.06 57.59 2av7 s HIS 31 Cb -0.07 0.28 0.11 0.00 -0.13 0.00 0.00 32.58 32.77 2av7 s HIS 31 CO 0.23 -0.40 0.46 -0.35 -2.47 0.00 0.00 174.74 172.22 2av7 n PRO 32 N 2.50 -1.40 0.17 2.88 -0.04 -1.26 -0.50 135.00 137.35 2av7 n PRO 32 Ca -0.15 -0.73 0.12 0.00 -0.04 0.00 0.00 63.50 62.71 2av7 n PRO 32 Cb 0.55 -0.61 0.11 0.00 -0.04 0.00 0.00 33.50 33.52 2av7 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2av7 h SER 33 N -1.35 0.00 -3.13 3.54 4.64 -2.00 -3.45 113.55 111.81 2av7 h SER 33 Ca -0.16 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.61 2av7 h SER 33 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2av7 h SER 33 CO 0.11 0.00 0.64 1.51 -0.87 0.00 0.00 176.83 178.22 2av7 s ASP 34 N -5.82 7.07 0.07 4.97 -4.77 -1.26 -4.98 116.67 111.95 2av7 s ASP 34 Ca 0.04 1.91 -0.17 0.00 -3.30 0.00 0.00 52.55 51.03 2av7 s ASP 34 Cb 0.07 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.37 2av7 s ASP 34 CO 0.71 -0.53 0.39 -0.51 0.70 0.00 0.00 175.17 175.94 2av7 s ILE 35 N 1.70 0.07 -0.11 2.11 2.07 -1.26 -4.67 121.20 121.11 2av7 s ILE 35 Ca 0.57 -0.54 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 2av7 s ILE 35 Cb -0.27 -1.04 0.00 0.00 0.13 0.00 0.00 42.46 41.29 2av7 s ILE 35 CO 0.25 -0.30 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.05 2av7 s GLU 36 N -2.99 3.03 -0.06 3.50 2.12 -0.12 -4.99 118.70 119.19 2av7 s GLU 36 Ca -0.02 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2av7 s GLU 36 Cb 0.00 -2.31 0.02 0.00 0.26 0.00 0.00 34.13 32.10 2av7 s GLU 36 CO -0.06 0.14 -0.04 0.08 -0.54 0.00 0.00 175.26 174.85 2av7 s VAL 37 N 0.43 0.57 0.09 3.70 1.01 -1.26 -1.07 120.40 123.87 2av7 s VAL 37 Ca -0.17 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2av7 s VAL 37 Cb -0.18 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2av7 s VAL 37 CO 0.07 0.26 -0.17 -1.81 0.00 0.00 0.00 175.10 173.45 2av7 s ASP 38 N 1.38 2.05 -0.10 3.32 1.01 -0.00 -4.98 116.67 119.34 2av7 s ASP 38 Ca -0.04 -0.66 -0.01 0.00 0.71 0.00 0.00 52.55 52.56 2av7 s ASP 38 Cb -0.13 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 2av7 s ASP 38 CO -0.03 -0.03 -0.04 -0.76 0.21 0.00 0.00 175.17 174.52 2av7 s LEU 39 N -1.85 3.29 -0.01 1.23 1.43 -1.26 -0.49 118.68 121.01 2av7 s LEU 39 Ca 0.02 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2av7 s LEU 39 Cb -0.10 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2av7 s LEU 39 CO 0.03 0.31 -0.24 -0.76 0.23 0.00 0.00 176.35 175.93 2av7 s LEU 40 N -0.51 2.06 -0.24 1.79 1.43 0.30 -1.43 118.68 122.08 2av7 s LEU 40 Ca 0.08 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2av7 s LEU 40 Cb -0.12 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2av7 s LEU 40 CO 0.02 0.29 -0.13 -0.75 0.23 0.00 0.00 176.35 176.01 2av7 s LYS 41 N -0.62 2.50 -1.43 1.70 2.20 0.75 -1.75 119.74 123.10 2av7 s LYS 41 Ca 0.09 -1.17 -0.04 0.00 -0.36 0.00 0.00 55.97 54.49 2av7 s LYS 41 Cb -0.09 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.46 2av7 s LYS 41 CO -0.01 -0.45 0.60 0.09 -0.36 0.00 0.00 175.35 175.22 2av7 n ASN 42 N 4.50 -1.43 0.00 1.43 3.02 0.52 -1.12 115.26 122.18 2av7 n ASN 42 Ca -0.16 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2av7 n ASN 42 Cb 0.45 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 2av7 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2av7 n GLY 43 N -1.77 2.85 3.72 7.41 0.00 -1.26 -5.02 105.19 111.12 2av7 n GLY 43 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2av7 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2av7 s GLU 44 N -0.15 4.32 0.20 1.61 2.12 -0.28 -4.99 118.70 121.53 2av7 s GLU 44 Ca 0.00 0.35 -0.31 0.00 0.36 0.00 0.00 54.97 55.37 2av7 s GLU 44 Cb 0.00 -3.43 -0.11 0.00 0.26 0.00 0.00 34.13 30.85 2av7 s GLU 44 CO 0.00 0.18 1.58 0.50 -0.54 0.00 0.00 175.26 176.98 2av7 s ARG 45 N 0.58 4.19 -0.03 4.30 3.52 -1.26 -0.17 118.95 130.08 2av7 s ARG 45 Ca 0.23 2.43 -0.20 0.00 -0.13 0.00 0.00 55.73 58.06 2av7 s ARG 45 Cb -0.14 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 2av7 s ARG 45 CO 0.08 -0.61 0.58 0.42 -0.81 0.00 0.00 175.30 174.96 2av7 s ILE 46 N 0.84 4.98 -0.05 4.11 1.01 -0.51 -4.88 121.20 126.70 2av7 s ILE 46 Ca 0.69 1.20 0.13 0.00 0.00 0.00 0.00 60.65 62.67 2av7 s ILE 46 Cb -0.45 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 37.87 2av7 s ILE 46 CO 0.35 0.39 0.66 -1.84 0.00 0.00 0.00 174.94 174.50 2av7 n GLU 47 N 3.00 0.63 -2.19 2.79 0.28 -1.26 -4.44 120.64 119.45 2av7 n GLU 47 Ca -0.06 0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.80 2av7 n GLU 47 Cb 0.51 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2av7 n GLU 47 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2av7 n LYS 48 N -3.03 3.33 -4.70 3.44 5.02 -1.26 -4.91 118.16 116.04 2av7 n LYS 48 Ca -0.17 -3.23 -0.33 0.00 -2.02 0.00 0.00 58.31 52.56 2av7 n LYS 48 Cb 1.04 -3.08 -0.15 0.00 -0.02 0.00 0.00 35.03 32.82 2av7 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2av7 s VAL 49 N 1.61 2.72 0.37 -0.18 1.01 -1.26 -4.60 120.40 120.06 2av7 s VAL 49 Ca 0.43 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2av7 s VAL 49 Cb 0.10 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2av7 s VAL 49 CO -0.02 0.52 0.33 -1.61 0.00 0.00 0.00 175.10 174.32 2av7 s GLU 50 N 0.60 2.65 0.05 2.72 2.02 0.42 -4.90 118.70 122.26 2av7 s GLU 50 Ca -0.09 -1.39 -0.00 0.00 0.02 0.00 0.00 54.97 53.50 2av7 s GLU 50 Cb -0.16 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2av7 s GLU 50 CO 0.03 -0.03 -0.04 -3.38 0.02 0.00 0.00 175.26 171.86 2av7 s HIS 51 N -2.38 0.49 0.90 1.61 -3.43 -1.26 -0.29 115.29 110.94 2av7 s HIS 51 Ca 0.44 -0.88 -0.12 0.00 -0.80 0.00 0.00 55.06 53.71 2av7 s HIS 51 Cb -0.05 -0.35 0.13 0.00 -1.43 0.00 0.00 32.58 30.89 2av7 s HIS 51 CO 0.27 -0.29 1.10 -1.54 -2.00 0.00 0.00 174.74 172.28 2av7 s SER 52 N -2.47 3.48 0.20 7.38 1.04 -0.03 -4.99 113.70 118.32 2av7 s SER 52 Ca 0.00 1.29 -0.30 0.00 0.48 0.00 0.00 55.95 57.42 2av7 s SER 52 Cb 0.02 -1.96 -0.08 0.00 0.10 0.00 0.00 66.02 64.10 2av7 s SER 52 CO -0.06 -2.60 1.08 -1.81 0.98 0.00 0.00 173.24 170.82 2av7 s ASP 53 N -3.63 7.31 0.07 7.02 1.01 -1.26 -4.72 116.67 122.46 2av7 s ASP 53 Ca 0.63 2.10 -0.34 0.00 0.71 0.00 0.00 52.55 55.66 2av7 s ASP 53 Cb -0.17 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.02 2av7 s ASP 53 CO 0.56 -0.17 1.69 -0.11 0.21 0.00 0.00 175.17 177.35 2av7 n LEU 54 N 2.09 3.22 0.00 1.23 7.94 -1.26 -4.95 117.00 125.28 2av7 n LEU 54 Ca 0.02 1.04 -0.18 0.00 -1.11 0.00 0.00 56.01 55.78 2av7 n LEU 54 Cb 0.46 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 2av7 n LEU 54 CO 0.53 -0.20 -0.00 -0.24 -1.11 0.00 0.00 177.39 176.37 2av7 n SER 55 N 4.65 -0.94 -3.84 1.96 2.88 -1.21 -5.05 113.62 112.07 2av7 n SER 55 Ca 0.19 -3.06 -0.10 0.00 -1.33 0.00 0.00 58.87 54.57 2av7 n SER 55 Cb 0.29 1.97 -0.06 0.00 -0.75 0.00 0.00 64.21 65.66 2av7 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2av7 s PHE 56 N -3.19 0.13 0.66 0.66 -0.12 -1.26 -1.49 117.98 113.37 2av7 s PHE 56 Ca 0.36 -0.49 0.05 0.00 -0.05 0.00 0.00 56.93 56.79 2av7 s PHE 56 Cb 0.01 0.12 0.12 0.00 -0.63 0.00 0.00 43.02 42.63 2av7 s PHE 56 CO 0.25 -0.75 0.91 -1.12 -0.05 0.00 0.00 175.22 174.46 2av7 s SER 57 N -2.90 4.67 0.32 1.98 0.01 -0.36 -4.93 113.70 112.49 2av7 s SER 57 Ca 0.11 -0.68 0.06 0.00 1.31 0.00 0.00 55.95 56.75 2av7 s SER 57 Cb 0.02 0.26 0.71 0.00 0.21 0.00 0.00 66.02 67.22 2av7 s SER 57 CO -0.04 -1.65 1.85 0.50 0.41 0.00 0.00 173.24 174.31 2av7 h LYS 58 N -0.20 0.79 -0.09 12.44 1.63 -2.03 0.22 116.57 129.34 2av7 h LYS 58 Ca -0.32 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2av7 h LYS 58 Cb 1.28 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2av7 h LYS 58 CO 0.39 0.53 0.00 -0.40 -3.45 0.00 0.00 179.45 176.52 2av7 n ASP 59 N -4.59 0.81 0.00 4.20 5.75 -1.26 -4.89 116.55 116.57 2av7 n ASP 59 Ca 0.18 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 2av7 n ASP 59 Cb 0.42 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2av7 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2av7 n TRP 60 N -0.22 0.00 -2.80 2.11 7.02 0.07 -5.04 117.44 118.58 2av7 n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2av7 n TRP 60 Cb 0.18 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.01 2av7 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2av7 s SER 61 N -3.10 7.25 0.46 -0.99 1.04 -1.26 -4.64 113.70 112.46 2av7 s SER 61 Ca 0.00 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 58.09 2av7 s SER 61 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 2av7 s SER 61 CO 0.00 -0.12 0.87 -0.36 0.98 0.00 0.00 173.24 174.61 2av7 s PHE 62 N -1.73 3.48 0.00 5.02 0.08 -0.29 -1.22 117.98 123.32 2av7 s PHE 62 Ca 0.52 1.22 -0.05 0.00 0.12 0.00 0.00 56.93 58.74 2av7 s PHE 62 Cb -0.17 -2.59 -0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2av7 s PHE 62 CO 0.21 -0.25 0.08 1.52 -0.10 0.00 0.00 175.22 176.69 2av7 s TYR 63 N -2.54 0.08 -0.00 0.36 -0.85 -0.56 -1.72 117.35 112.12 2av7 s TYR 63 Ca 0.54 -0.18 -0.02 0.00 -0.52 0.00 0.00 57.07 56.89 2av7 s TYR 63 Cb -0.10 -0.07 -0.00 0.00 0.38 0.00 0.00 41.96 42.16 2av7 s TYR 63 CO 0.33 -0.22 0.04 -0.51 -1.52 0.00 0.00 175.55 173.67 2av7 s LEU 64 N -1.18 1.92 -0.22 -3.49 1.43 0.19 -3.34 118.68 113.98 2av7 s LEU 64 Ca -0.13 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2av7 s LEU 64 Cb -0.07 0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 2av7 s LEU 64 CO 0.01 -0.18 0.02 -0.22 0.23 0.00 0.00 176.35 176.21 2av7 s LEU 65 N -0.75 3.27 -0.07 1.79 2.96 -1.26 -1.45 118.68 123.17 2av7 s LEU 65 Ca -0.08 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2av7 s LEU 65 Cb -0.05 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2av7 s LEU 65 CO -0.00 0.01 0.07 -0.31 -1.32 0.00 0.00 176.35 174.80 2av7 s TYR 66 N 1.33 3.34 0.01 5.38 1.51 -0.07 -0.85 117.35 127.99 2av7 s TYR 66 Ca 0.04 0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 56.19 2av7 s TYR 66 Cb -0.15 -1.82 0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2av7 s TYR 66 CO 0.01 0.58 0.48 1.52 -1.11 0.00 0.00 175.55 177.03 2av7 s TYR 67 N -1.03 -0.38 -0.09 2.71 1.13 0.60 0.19 117.35 120.48 2av7 s TYR 67 Ca 0.17 0.53 -0.16 0.00 -1.41 0.00 0.00 57.07 56.20 2av7 s TYR 67 Cb -0.12 0.27 0.04 0.00 -1.10 0.00 0.00 41.96 41.05 2av7 s TYR 67 CO 0.06 -0.55 0.39 -0.08 -2.51 0.00 0.00 175.55 172.86 2av7 s THR 68 N -1.84 0.02 0.25 -3.49 -1.32 -0.34 -0.43 115.64 108.49 2av7 s THR 68 Ca -0.09 -0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 2av7 s THR 68 Cb -0.02 -0.62 -0.11 0.00 -1.51 0.00 0.00 72.50 70.24 2av7 s THR 68 CO 0.03 -0.11 1.53 -1.61 -2.21 0.00 0.00 174.62 172.24 2av7 s GLU 69 N -0.54 4.20 0.13 7.08 2.02 -1.26 -0.29 118.70 130.04 2av7 s GLU 69 Ca -0.06 2.42 -0.15 0.00 0.02 0.00 0.00 54.97 57.19 2av7 s GLU 69 Cb -0.04 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.14 2av7 s GLU 69 CO 0.03 -0.54 0.39 -0.59 0.02 0.00 0.00 175.26 174.57 2av7 s PHE 70 N 0.22 -0.15 -0.31 1.61 -0.71 -0.80 -4.83 117.98 113.00 2av7 s PHE 70 Ca 0.63 -0.18 0.03 0.00 -1.04 0.00 0.00 56.93 56.38 2av7 s PHE 70 Cb -0.45 0.23 0.08 0.00 -1.21 0.00 0.00 43.02 41.68 2av7 s PHE 70 CO 0.43 -0.70 -0.01 0.99 -1.34 0.00 0.00 175.22 174.58 2av7 s THR 71 N -3.82 2.26 0.36 -4.49 2.01 -1.26 -1.00 115.64 109.71 2av7 s THR 71 Ca 0.04 -2.05 -0.27 0.00 0.31 0.00 0.00 61.69 59.71 2av7 s THR 71 Cb 0.02 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.90 2av7 s THR 71 CO -0.11 -0.37 1.31 -2.16 -0.69 0.00 0.00 174.62 172.60 2av7 s PRO 72 N 0.99 4.18 0.46 4.92 0.04 -1.26 -4.79 135.00 139.54 2av7 s PRO 72 Ca 0.03 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2av7 s PRO 72 Cb -0.19 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2av7 s PRO 72 CO -0.07 -0.33 0.03 0.95 0.04 0.00 0.00 177.00 177.63 2av7 s THR 73 N -1.20 1.27 0.24 1.26 -4.23 -1.26 -0.80 115.64 110.91 2av7 s THR 73 Ca 0.52 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2av7 s THR 73 Cb -0.39 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.02 2av7 s THR 73 CO 0.51 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 176.13 2av7 h GLU 74 N 1.58 0.51 0.00 3.99 4.81 -1.97 -3.32 114.58 120.18 2av7 h GLU 74 Ca -0.42 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.51 2av7 h GLU 74 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2av7 h GLU 74 CO 0.73 0.82 -1.31 0.36 -0.73 0.00 0.00 179.01 178.88 2av7 n LYS 75 N -4.03 0.62 -2.62 1.92 2.85 -1.26 -4.93 118.16 110.71 2av7 n LYS 75 Ca -0.02 0.08 -0.40 0.00 -1.05 0.00 0.00 58.31 56.92 2av7 n LYS 75 Cb 0.51 -1.76 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 2av7 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2av7 s ASP 76 N -5.28 7.44 -0.07 -5.58 1.01 -1.25 -5.02 116.67 107.92 2av7 s ASP 76 Ca -0.03 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2av7 s ASP 76 Cb 0.10 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2av7 s ASP 76 CO 0.82 -0.04 -0.05 -1.61 0.21 0.00 0.00 175.17 174.50 2av7 s GLU 77 N -0.89 2.79 0.14 8.23 2.02 -1.26 -4.77 118.70 124.96 2av7 s GLU 77 Ca 0.45 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.99 2av7 s GLU 77 Cb -0.28 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2av7 s GLU 77 CO 0.35 0.67 -0.16 0.71 0.02 0.00 0.00 175.26 176.85 2av7 s TYR 78 N -0.84 1.60 0.14 1.61 1.51 -1.26 -0.35 117.35 119.76 2av7 s TYR 78 Ca 0.13 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 2av7 s TYR 78 Cb -0.11 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2av7 s TYR 78 CO 0.02 0.23 0.44 0.00 -1.11 0.00 0.00 175.55 175.13 2av7 s ALA 79 N -2.05 -0.99 -0.11 3.71 0.00 -0.72 -0.45 121.76 121.15 2av7 s ALA 79 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2av7 s ALA 79 Cb -0.05 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2av7 s ALA 79 CO 0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 175.76 174.93 2av7 s ARG 81 N 0.34 3.30 -0.11 0.00 3.52 0.35 -0.40 118.95 125.95 2av7 s ARG 81 Ca -0.15 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2av7 s ARG 81 Cb -0.17 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2av7 s ARG 81 CO 0.07 -0.09 -0.20 0.08 -0.81 0.00 0.00 175.30 174.36 2av7 s VAL 82 N 1.13 2.40 0.01 7.11 1.01 0.58 -0.82 120.40 131.81 2av7 s VAL 82 Ca 0.01 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2av7 s VAL 82 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2av7 s VAL 82 CO -0.03 0.55 -0.21 0.20 0.00 0.00 0.00 175.10 175.61 2av7 s ASN 83 N 0.31 3.51 -0.06 3.32 0.01 -0.23 -0.66 114.94 121.13 2av7 s ASN 83 Ca -0.15 -0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 51.28 2av7 s ASN 83 Cb -0.17 -0.52 0.11 0.00 0.41 0.00 0.00 41.25 41.08 2av7 s ASN 83 CO 0.08 0.29 0.92 -2.28 -1.51 0.00 0.00 177.10 174.59 2av7 s HIS 84 N -0.78 -0.37 0.57 2.20 5.65 -1.26 -0.94 115.29 120.36 2av7 s HIS 84 Ca 0.12 0.42 0.27 0.00 0.25 0.00 0.00 55.06 56.11 2av7 s HIS 84 Cb -0.10 0.50 1.68 0.00 -1.18 0.00 0.00 32.58 33.48 2av7 s HIS 84 CO 0.02 -0.47 2.21 -0.24 -0.65 0.00 0.00 174.74 175.61 2av7 h VAL 85 N 2.26 0.63 0.00 0.89 3.04 -1.94 -1.64 116.25 119.49 2av7 h VAL 85 Ca -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2av7 h VAL 85 Cb 1.21 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2av7 h VAL 85 CO 0.31 0.00 -0.14 0.71 -1.01 0.00 0.00 177.57 177.44 2av7 h THR 86 N 0.00 0.00 -3.53 3.17 1.35 -1.91 -3.44 112.91 108.55 2av7 h THR 86 Ca 0.01 -0.61 -0.61 0.00 -0.55 0.00 0.00 66.41 64.65 2av7 h THR 86 Cb 0.07 1.52 -0.13 0.00 -1.73 0.00 0.00 68.15 67.89 2av7 h THR 86 CO -0.00 0.00 -0.35 -0.76 -0.25 0.00 0.00 175.52 174.16 2av7 s LEU 87 N -4.87 4.14 0.38 3.87 1.43 -0.62 -4.96 118.68 118.05 2av7 s LEU 87 Ca 0.09 0.32 0.20 0.00 -1.03 0.00 0.00 54.13 53.71 2av7 s LEU 87 Cb 0.11 -2.31 0.37 0.00 0.03 0.00 0.00 46.19 44.39 2av7 s LEU 87 CO 0.64 -0.01 1.60 0.77 0.23 0.00 0.00 176.35 179.58 2av7 h SER 88 N 7.44 0.00 -3.96 2.29 4.64 -1.85 -3.43 113.55 118.68 2av7 h SER 88 Ca -0.37 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.54 2av7 h SER 88 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 2av7 h SER 88 CO 0.69 0.25 -0.75 -1.10 -0.87 0.00 0.00 176.83 175.05 2av7 s GLN 89 N -3.20 1.06 0.32 4.77 -1.52 -1.26 -5.11 119.66 114.71 2av7 s GLN 89 Ca 0.04 -1.30 -0.29 0.00 -1.95 0.00 0.00 55.36 51.86 2av7 s GLN 89 Cb 0.07 -0.89 -0.11 0.00 -0.22 0.00 0.00 33.01 31.87 2av7 s GLN 89 CO 0.69 0.16 1.53 -2.14 -0.25 0.00 0.00 175.29 175.28 2av7 s PRO 90 N -2.90 4.14 -0.29 2.91 0.02 -1.26 -4.94 135.00 132.68 2av7 s PRO 90 Ca 0.11 2.54 -0.14 0.00 0.02 0.00 0.00 61.00 63.53 2av7 s PRO 90 Cb -0.03 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.44 2av7 s PRO 90 CO 0.03 -0.56 0.33 0.21 -0.33 0.00 0.00 177.00 176.68 2av7 s LYS 91 N -1.11 3.89 -0.24 5.54 2.47 0.17 -4.90 119.74 125.55 2av7 s LYS 91 Ca 0.59 -0.15 -0.07 0.00 -1.56 0.00 0.00 55.97 54.78 2av7 s LYS 91 Cb -0.46 -3.69 -0.02 0.00 -1.46 0.00 0.00 37.83 32.19 2av7 s LYS 91 CO 0.53 -0.32 0.05 0.42 0.16 0.00 0.00 175.35 176.19 2av7 s ILE 92 N 1.99 4.12 -0.19 5.43 1.01 -1.26 -0.31 121.20 131.99 2av7 s ILE 92 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2av7 s ILE 92 Cb -0.16 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 2av7 s ILE 92 CO 0.11 0.36 -0.09 -0.69 0.00 0.00 0.00 174.94 174.63 2av7 s VAL 93 N 1.55 3.09 0.30 2.92 1.01 0.46 -4.96 120.40 124.77 2av7 s VAL 93 Ca 0.06 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 2av7 s VAL 93 Cb -0.15 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2av7 s VAL 93 CO 0.02 0.47 0.99 -0.54 0.00 0.00 0.00 175.10 176.04 2av7 s LYS 94 N 1.16 4.62 -0.07 2.72 1.02 -1.26 -0.62 119.74 127.31 2av7 s LYS 94 Ca 0.02 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 2av7 s LYS 94 Cb -0.14 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2av7 s LYS 94 CO -0.03 0.27 1.45 -0.46 -0.92 0.00 0.00 175.35 175.67 2av7 s TRP 95 N -1.38 2.54 -0.21 3.18 -0.00 0.41 -4.91 118.94 118.57 2av7 s TRP 95 Ca 0.47 0.65 0.01 0.00 -0.00 0.00 0.00 56.10 57.23 2av7 s TRP 95 Cb -0.24 -3.71 0.03 0.00 -0.00 0.00 0.00 33.47 29.55 2av7 s TRP 95 CO 0.31 -2.74 -0.16 0.34 -0.00 0.00 0.00 176.95 174.70 2av7 s ASP 96 N 2.43 3.59 0.49 5.86 -1.08 -1.26 -4.70 116.67 122.00 2av7 s ASP 96 Ca 0.65 -0.85 0.33 0.00 -0.52 0.00 0.00 52.55 52.15 2av7 s ASP 96 Cb -0.29 -1.52 1.79 0.00 -1.46 0.00 0.00 42.92 41.44 2av7 s ASP 96 CO 0.24 -0.06 2.01 0.08 0.52 0.00 0.00 175.17 177.96 2av7 h ARG 97 N 7.91 0.00 -0.45 4.34 0.11 -1.95 -1.18 114.38 123.16 2av7 h ARG 97 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 2av7 h ARG 97 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2av7 h ARG 97 CO 0.59 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.41 2av7 n ASP 98 N -2.66 1.18 0.00 0.08 10.43 -1.26 -4.82 116.55 119.50 2av7 n ASP 98 Ca -0.02 -2.07 0.00 0.00 2.57 0.00 0.00 54.79 55.27 2av7 n ASP 98 Cb 0.05 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 42.75 2av7 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36