#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 0.26 -3.85 3.17 5.41 -1.26 -5.01 119.36 118.07 2av7 n ILE 1 Ca 0.00 -0.05 -0.20 0.00 1.00 0.00 0.00 62.75 63.50 2av7 n ILE 1 Cb 0.00 -1.78 -0.17 0.00 -0.71 0.00 0.00 39.64 36.98 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 2.29 0.44 -0.04 0.38 -0.21 -1.26 -4.39 119.66 116.87 2av7 s GLN 2 Ca 0.84 0.11 0.05 0.00 0.02 0.00 0.00 55.36 56.38 2av7 s GLN 2 Cb -0.64 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 32.63 2av7 s GLN 2 CO 0.42 -0.23 -0.19 1.03 -2.12 0.00 0.00 175.29 174.20 2av7 s ARG 3 N 1.58 1.86 0.15 2.91 0.52 0.80 -4.91 118.95 121.85 2av7 s ARG 3 Ca -0.02 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.22 2av7 s ARG 3 Cb -0.13 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.63 2av7 s ARG 3 CO -0.03 0.31 1.10 0.99 0.02 0.00 0.00 175.30 177.69 2av7 s THR 4 N -0.11 3.95 0.20 0.02 2.01 -1.26 -1.55 115.64 118.90 2av7 s THR 4 Ca -0.01 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 2av7 s THR 4 Cb -0.11 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 2av7 s THR 4 CO 0.02 0.25 1.40 -2.16 -0.69 0.00 0.00 174.62 173.44 2av7 s PRO 5 N -0.09 4.31 0.42 4.92 0.04 -1.26 -4.35 135.00 139.00 2av7 s PRO 5 Ca 0.51 2.19 -0.19 0.00 0.04 0.00 0.00 61.00 63.55 2av7 s PRO 5 Cb -0.29 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 30.99 2av7 s PRO 5 CO 0.34 -0.39 0.91 0.15 0.04 0.00 0.00 177.00 178.05 2av7 s LYS 6 N 0.13 4.13 -0.05 4.56 1.02 0.30 -4.89 119.74 124.93 2av7 s LYS 6 Ca 0.60 0.99 0.01 0.00 0.02 0.00 0.00 55.97 57.59 2av7 s LYS 6 Cb -0.39 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2av7 s LYS 6 CO 0.38 -0.04 -0.05 0.42 -0.92 0.00 0.00 175.35 175.15 2av7 s ILE 7 N -2.22 0.56 -0.06 2.17 1.01 -1.26 -2.25 121.20 119.15 2av7 s ILE 7 Ca 0.60 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2av7 s ILE 7 Cb -0.09 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2av7 s ILE 7 CO 0.17 0.24 -0.17 -1.10 0.00 0.00 0.00 174.94 174.09 2av7 s GLN 8 N 0.99 1.98 -0.13 2.79 -0.21 -0.46 -4.99 119.66 119.62 2av7 s GLN 8 Ca -0.10 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 54.71 2av7 s GLN 8 Cb -0.14 -1.63 -0.00 0.00 1.00 0.00 0.00 33.01 32.23 2av7 s GLN 8 CO -0.00 0.15 -0.19 0.54 -2.12 0.00 0.00 175.29 173.67 2av7 s VAL 9 N 0.33 2.45 0.13 1.09 0.11 -1.26 -0.70 120.40 122.55 2av7 s VAL 9 Ca -0.11 -0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 57.83 2av7 s VAL 9 Cb -0.14 -2.00 0.07 0.00 -1.53 0.00 0.00 36.38 32.78 2av7 s VAL 9 CO 0.04 0.54 0.93 -0.72 -3.33 0.00 0.00 175.10 172.56 2av7 s TYR 10 N 0.60 -0.18 0.09 1.54 1.13 -0.21 -4.62 117.35 115.69 2av7 s TYR 10 Ca -0.10 -0.09 0.01 0.00 -1.41 0.00 0.00 57.07 55.48 2av7 s TYR 10 Cb -0.16 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2av7 s TYR 10 CO 0.03 -0.79 0.21 -1.54 -2.51 0.00 0.00 175.55 170.95 2av7 s SER 11 N -2.85 6.19 0.19 -0.18 1.04 -1.26 0.68 113.70 117.50 2av7 s SER 11 Ca 0.11 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 2av7 s SER 11 Cb -0.01 -1.85 0.16 0.00 0.10 0.00 0.00 66.02 64.42 2av7 s SER 11 CO -0.00 0.13 1.80 -0.09 0.98 0.00 0.00 173.24 176.06 2av7 h ARG 12 N 2.82 0.55 -6.25 4.02 2.43 -1.65 -3.44 114.38 112.87 2av7 h ARG 12 Ca -0.46 -0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.08 2av7 h ARG 12 Cb 1.17 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.47 2av7 h ARG 12 CO 0.72 0.37 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.81 2av7 s HIS 13 N -6.12 2.45 0.09 2.20 3.76 -1.26 -5.03 115.29 111.37 2av7 s HIS 13 Ca -0.13 -0.29 -0.36 0.00 -0.15 0.00 0.00 55.06 54.13 2av7 s HIS 13 Cb 0.14 -1.08 -0.17 0.00 1.11 0.00 0.00 32.58 32.58 2av7 s HIS 13 CO 0.74 0.66 1.35 -2.30 -0.85 0.00 0.00 174.74 174.34 2av7 n PRO 14 N -0.62 1.21 -2.36 8.40 -0.02 -1.26 -4.87 135.00 135.48 2av7 n PRO 14 Ca -0.06 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 2av7 n PRO 14 Cb 0.59 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.49 3.46 -0.06 3.55 0.00 -1.26 -5.02 121.76 122.93 2av7 s ALA 15 Ca 0.84 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.66 2av7 s ALA 15 Cb -0.93 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 18.72 2av7 s ALA 15 CO 0.46 -0.58 -0.06 -1.21 0.00 0.00 0.00 175.76 174.38 2av7 s GLU 16 N 1.43 1.06 0.21 0.00 2.02 -1.26 -5.11 118.70 117.04 2av7 s GLU 16 Ca 0.60 -0.16 -0.32 0.00 0.02 0.00 0.00 54.97 55.11 2av7 s GLU 16 Cb -0.30 -1.05 -0.13 0.00 0.10 0.00 0.00 34.13 32.74 2av7 s GLU 16 CO 0.28 -0.11 1.58 0.09 0.02 0.00 0.00 175.26 177.12 2av7 n ASN 17 N 4.23 3.35 0.00 -0.19 3.02 -1.26 -1.38 115.26 123.03 2av7 n ASN 17 Ca -0.21 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2av7 n ASN 17 Cb 0.51 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 3.13 1.08 3.54 7.41 0.00 -0.51 -5.00 105.19 114.85 2av7 n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.60 2.99 0.33 1.61 1.02 -0.48 -4.99 119.74 119.62 2av7 s LYS 19 Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 2av7 s LYS 19 Cb 0.00 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 2av7 s LYS 19 CO 0.00 0.53 1.11 -1.54 -0.92 0.00 0.00 175.35 174.52 2av7 s SER 20 N -0.44 7.02 0.08 2.83 1.04 -1.26 -4.06 113.70 118.91 2av7 s SER 20 Ca 0.06 2.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 2av7 s SER 20 Cb -0.12 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2av7 s SER 20 CO 0.02 -0.32 0.13 -3.20 0.98 0.00 0.00 173.24 170.86 2av7 n ASN 21 N 0.72 -0.36 -4.21 7.02 2.85 0.22 -4.97 115.26 116.53 2av7 n ASN 21 Ca 0.01 -1.42 -0.27 0.00 -0.11 0.00 0.00 54.58 52.79 2av7 n ASN 21 Cb 0.46 0.66 -0.16 0.00 1.24 0.00 0.00 39.78 41.98 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 -5.20 1.81 -0.19 1.20 0.40 -1.26 -1.36 117.98 113.38 2av7 s PHE 22 Ca 0.06 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 2av7 s PHE 22 Cb -0.00 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 2av7 s PHE 22 CO 0.04 -0.04 0.09 -1.17 0.70 0.00 0.00 175.22 174.85 2av7 s LEU 23 N -0.46 3.96 -0.10 -0.37 2.96 0.24 -1.50 118.68 123.42 2av7 s LEU 23 Ca 0.07 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2av7 s LEU 23 Cb -0.08 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2av7 s LEU 23 CO -0.01 0.16 -0.09 0.20 -1.32 0.00 0.00 176.35 175.30 2av7 s ASN 24 N 0.45 4.44 -0.28 3.68 0.01 0.21 -1.93 114.94 121.53 2av7 s ASN 24 Ca 0.05 -0.14 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2av7 s ASN 24 Cb -0.12 -1.37 0.04 0.00 0.41 0.00 0.00 41.25 40.21 2av7 s ASN 24 CO -0.00 0.27 -0.03 0.00 -1.51 0.00 0.00 177.10 175.82 2av7 s TYR 26 N 1.25 3.28 -0.08 0.00 5.04 0.12 -1.22 117.35 125.74 2av7 s TYR 26 Ca -0.04 0.37 0.03 0.00 -2.44 0.00 0.00 57.07 55.00 2av7 s TYR 26 Cb -0.19 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 2av7 s TYR 26 CO -0.03 -0.13 -0.18 0.14 -1.34 0.00 0.00 175.55 174.01 2av7 s VAL 27 N 1.72 2.63 0.19 3.14 -7.23 -0.24 -1.36 120.40 119.25 2av7 s VAL 27 Ca 0.13 -0.85 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 2av7 s VAL 27 Cb -0.15 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2av7 s VAL 27 CO 0.09 0.56 0.41 -0.94 -0.31 0.00 0.00 175.10 174.91 2av7 s SER 28 N -0.11 -0.10 -0.76 4.85 1.04 -0.95 -0.72 113.70 116.94 2av7 s SER 28 Ca -0.03 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2av7 s SER 28 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2av7 s SER 28 CO 0.04 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2av7 n GLY 29 N -0.29 0.93 3.76 7.32 0.00 -0.70 -0.54 105.19 115.68 2av7 n GLY 29 Ca -0.08 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 3.14 -0.15 1.61 -0.71 -1.15 -4.36 117.98 114.12 2av7 s PHE 30 Ca 0.00 0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 55.81 2av7 s PHE 30 Cb 0.00 -1.58 0.04 0.00 -1.21 0.00 0.00 43.02 40.27 2av7 s PHE 30 CO 0.00 0.51 0.38 -1.58 -1.34 0.00 0.00 175.22 173.19 2av7 s HIS 31 N -1.45 -0.45 0.02 3.49 2.46 -0.60 -0.86 115.29 117.90 2av7 s HIS 31 Ca 0.29 1.06 -0.00 0.00 0.47 0.00 0.00 55.06 56.87 2av7 s HIS 31 Cb -0.12 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 2av7 s HIS 31 CO 0.22 -0.23 0.02 -0.35 -2.47 0.00 0.00 174.74 171.93 2av7 n PRO 32 N 3.20 -0.01 0.09 2.88 -0.04 -1.26 -0.14 135.00 139.71 2av7 n PRO 32 Ca -0.16 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.38 2av7 n PRO 32 Cb 0.57 -0.02 0.05 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.03 0.00 -1.94 3.54 4.64 -2.00 -3.44 113.55 114.32 2av7 h SER 33 Ca -0.01 -0.09 -0.59 0.00 -0.47 0.00 0.00 61.79 60.63 2av7 h SER 33 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2av7 h SER 33 CO 0.01 0.04 1.42 0.47 -0.87 0.00 0.00 176.83 177.90 2av7 n ASP 34 N -2.48 3.29 -4.06 4.97 9.92 -1.26 -4.95 116.55 121.99 2av7 n ASP 34 Ca 0.01 0.38 -0.13 0.00 -0.53 0.00 0.00 54.79 54.53 2av7 n ASP 34 Cb 0.51 -1.51 -0.11 0.00 -0.64 0.00 0.00 41.12 39.37 2av7 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2av7 s ILE 35 N 7.35 0.52 -0.23 0.53 2.07 -1.26 -4.63 121.20 125.55 2av7 s ILE 35 Ca 1.00 -1.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2av7 s ILE 35 Cb -0.43 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.53 2av7 s ILE 35 CO 0.39 -0.41 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.24 2av7 s GLU 36 N -1.69 3.00 -0.10 3.50 2.12 -0.01 -4.99 118.70 120.53 2av7 s GLU 36 Ca -0.09 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.38 2av7 s GLU 36 Cb -0.09 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.36 2av7 s GLU 36 CO 0.00 -0.33 -0.12 0.08 -0.54 0.00 0.00 175.26 174.36 2av7 s VAL 37 N 1.36 1.23 0.10 3.70 1.01 -1.26 -0.90 120.40 125.64 2av7 s VAL 37 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.61 2av7 s VAL 37 Cb -0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2av7 s VAL 37 CO -0.05 0.39 -0.21 -1.81 0.00 0.00 0.00 175.10 173.42 2av7 s ASP 38 N 1.12 2.51 -0.16 3.32 1.01 -0.11 -4.98 116.67 119.39 2av7 s ASP 38 Ca -0.05 -0.68 -0.12 0.00 0.71 0.00 0.00 52.55 52.41 2av7 s ASP 38 Cb -0.14 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2av7 s ASP 38 CO -0.02 0.06 0.24 -0.76 0.21 0.00 0.00 175.17 174.90 2av7 s LEU 39 N -1.87 4.26 -0.03 1.23 1.43 -1.26 -1.24 118.68 121.20 2av7 s LEU 39 Ca 0.06 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 2av7 s LEU 39 Cb -0.10 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2av7 s LEU 39 CO 0.04 0.16 -0.07 -0.76 0.23 0.00 0.00 176.35 175.95 2av7 s LEU 40 N 0.21 3.16 -0.21 1.79 1.43 0.21 -1.06 118.68 124.21 2av7 s LEU 40 Ca 0.15 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2av7 s LEU 40 Cb -0.13 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.37 2av7 s LEU 40 CO 0.03 0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 176.01 2av7 s LYS 41 N -1.13 2.69 -1.59 1.70 2.20 -0.17 -1.54 119.74 121.90 2av7 s LYS 41 Ca 0.15 -0.99 -0.16 0.00 -0.36 0.00 0.00 55.97 54.61 2av7 s LYS 41 Cb -0.11 -2.65 0.12 0.00 -1.51 0.00 0.00 37.83 33.68 2av7 s LYS 41 CO 0.05 -0.33 0.87 0.09 -0.36 0.00 0.00 175.35 175.66 2av7 n ASN 42 N 4.57 -4.14 0.00 1.43 3.02 0.14 -1.47 115.26 118.81 2av7 n ASN 42 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2av7 n ASN 42 Cb 0.47 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.52 1.87 3.76 7.41 0.00 -1.26 -5.04 105.19 110.41 2av7 n GLY 43 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2av7 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2av7 s GLU 44 N -0.32 3.00 0.02 1.61 0.41 -0.54 -4.99 118.70 117.89 2av7 s GLU 44 Ca 0.00 -0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 2av7 s GLU 44 Cb 0.00 -2.81 -0.08 0.00 -1.78 0.00 0.00 34.13 29.45 2av7 s GLU 44 CO 0.00 0.64 1.92 0.50 -0.49 0.00 0.00 175.26 177.83 2av7 s ARG 45 N -1.72 4.14 -0.04 1.61 3.52 -1.26 -0.99 118.95 124.21 2av7 s ARG 45 Ca 0.22 2.55 -0.30 0.00 -0.13 0.00 0.00 55.73 58.07 2av7 s ARG 45 Cb -0.12 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2av7 s ARG 45 CO 0.13 -0.94 1.29 0.42 -0.81 0.00 0.00 175.30 175.39 2av7 s ILE 46 N 4.41 4.04 0.04 4.11 1.01 -0.22 -4.91 121.20 129.67 2av7 s ILE 46 Ca 0.86 1.37 -0.18 0.00 0.00 0.00 0.00 60.65 62.71 2av7 s ILE 46 Cb -0.41 -3.88 -0.20 0.00 0.01 0.00 0.00 42.46 37.98 2av7 s ILE 46 CO 0.40 -0.02 1.20 -0.33 0.00 0.00 0.00 174.94 176.19 2av7 h GLU 47 N 7.71 0.52 -4.89 2.79 4.39 -1.93 -3.41 114.58 119.76 2av7 h GLU 47 Ca -0.35 -0.46 -0.70 0.00 0.34 0.00 0.00 59.36 58.19 2av7 h GLU 47 Cb 1.16 0.11 -0.19 0.00 -0.10 0.00 0.00 28.75 29.73 2av7 h GLU 47 CO 0.90 1.09 0.76 0.15 -1.16 0.00 0.00 179.01 180.75 2av7 s LYS 48 N -3.54 3.60 -0.08 2.33 1.02 -1.26 -4.96 119.74 116.86 2av7 s LYS 48 Ca -0.13 -1.85 0.01 0.00 0.02 0.00 0.00 55.97 54.02 2av7 s LYS 48 Cb 0.05 -4.86 0.02 0.00 -0.52 0.00 0.00 37.83 32.52 2av7 s LYS 48 CO 0.84 -1.72 -0.09 0.08 -0.92 0.00 0.00 175.35 173.54 2av7 s VAL 49 N 2.39 0.98 0.32 3.17 1.01 -1.26 -4.71 120.40 122.30 2av7 s VAL 49 Ca 0.31 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2av7 s VAL 49 Cb -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2av7 s VAL 49 CO -0.09 0.34 0.28 -1.61 0.00 0.00 0.00 175.10 174.01 2av7 s GLU 50 N 1.21 2.75 0.08 2.72 2.02 0.30 -4.89 118.70 122.90 2av7 s GLU 50 Ca -0.05 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.72 2av7 s GLU 50 Cb -0.14 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 2av7 s GLU 50 CO -0.02 0.14 -0.09 -3.38 0.02 0.00 0.00 175.26 171.93 2av7 s HIS 51 N -2.28 0.96 1.04 1.61 -3.43 -1.26 -0.01 115.29 111.92 2av7 s HIS 51 Ca 0.40 -0.66 -0.12 0.00 -0.80 0.00 0.00 55.06 53.88 2av7 s HIS 51 Cb -0.06 -0.54 0.21 0.00 -1.43 0.00 0.00 32.58 30.76 2av7 s HIS 51 CO 0.26 -0.04 1.07 -1.54 -2.00 0.00 0.00 174.74 172.49 2av7 s SER 52 N -2.34 2.09 0.15 7.38 1.04 0.18 -4.99 113.70 117.20 2av7 s SER 52 Ca 0.03 1.54 -0.30 0.00 0.48 0.00 0.00 55.95 57.70 2av7 s SER 52 Cb -0.03 -2.23 -0.07 0.00 0.10 0.00 0.00 66.02 63.79 2av7 s SER 52 CO -0.01 -3.52 0.98 -1.81 0.98 0.00 0.00 173.24 169.86 2av7 s ASP 53 N -2.91 7.50 0.02 7.02 1.01 -1.26 -4.77 116.67 123.27 2av7 s ASP 53 Ca 0.66 1.88 -0.35 0.00 0.71 0.00 0.00 52.55 55.45 2av7 s ASP 53 Cb -0.22 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 40.97 2av7 s ASP 53 CO 0.61 -0.04 1.63 -0.11 0.21 0.00 0.00 175.17 177.47 2av7 n LEU 54 N 2.42 2.77 0.00 1.23 7.94 -1.26 -4.93 117.00 125.16 2av7 n LEU 54 Ca 0.01 1.06 -0.13 0.00 -1.11 0.00 0.00 56.01 55.85 2av7 n LEU 54 Cb 0.48 -1.32 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 2av7 n LEU 54 CO 0.51 -0.41 0.00 -0.24 -1.11 0.00 0.00 177.39 176.14 2av7 n SER 55 N 4.34 -0.70 -3.63 1.96 2.88 -1.21 -5.03 113.62 112.22 2av7 n SER 55 Ca 0.20 -2.51 -0.13 0.00 -1.33 0.00 0.00 58.87 55.10 2av7 n SER 55 Cb 0.25 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 65.11 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 -3.17 -0.30 0.79 0.66 -0.12 -1.26 -1.49 117.98 113.10 2av7 s PHE 56 Ca 0.26 0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 57.34 2av7 s PHE 56 Cb 0.01 0.26 0.15 0.00 -0.63 0.00 0.00 43.02 42.80 2av7 s PHE 56 CO 0.19 -0.61 1.09 -1.12 -0.05 0.00 0.00 175.22 174.72 2av7 s SER 57 N -2.10 3.98 0.50 1.98 0.01 -0.39 -4.92 113.70 112.77 2av7 s SER 57 Ca -0.04 -0.17 0.16 0.00 1.31 0.00 0.00 55.95 57.20 2av7 s SER 57 Cb -0.00 -0.11 1.21 0.00 0.21 0.00 0.00 66.02 67.33 2av7 s SER 57 CO -0.04 -2.12 2.11 0.11 0.41 0.00 0.00 173.24 173.72 2av7 h LYS 58 N -0.86 0.00 -0.23 12.44 1.57 -2.03 -0.17 116.57 127.29 2av7 h LYS 58 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2av7 h LYS 58 Cb 1.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2av7 h LYS 58 CO 0.40 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.92 2av7 n ASP 59 N -4.49 1.21 0.00 0.86 5.68 -1.26 -4.92 116.55 113.63 2av7 n ASP 59 Ca -0.03 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 2av7 n ASP 59 Cb 0.13 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2av7 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2av7 n TRP 60 N 0.16 0.00 -2.61 2.11 7.02 -0.08 -5.02 117.44 119.02 2av7 n TRP 60 Ca 0.08 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.16 2av7 n TRP 60 Cb 0.19 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.03 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 -3.31 7.33 0.57 -0.99 1.04 -1.26 -4.66 113.70 112.42 2av7 s SER 61 Ca 0.00 2.08 -0.13 0.00 0.48 0.00 0.00 55.95 58.38 2av7 s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2av7 s SER 61 CO 0.00 -0.08 1.00 -0.36 0.98 0.00 0.00 173.24 174.77 2av7 s PHE 62 N -1.30 3.56 0.01 5.02 0.08 -0.04 -1.26 117.98 124.06 2av7 s PHE 62 Ca 0.46 1.32 -0.04 0.00 0.12 0.00 0.00 56.93 58.79 2av7 s PHE 62 Cb -0.27 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 2av7 s PHE 62 CO 0.34 -0.55 0.06 1.52 -0.10 0.00 0.00 175.22 176.50 2av7 s TYR 63 N -2.95 0.15 -0.05 0.36 -0.85 -0.55 -1.72 117.35 111.74 2av7 s TYR 63 Ca 0.56 -0.35 -0.07 0.00 -0.52 0.00 0.00 57.07 56.69 2av7 s TYR 63 Cb -0.11 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.13 2av7 s TYR 63 CO 0.45 -0.26 0.19 -0.51 -1.52 0.00 0.00 175.55 173.90 2av7 s LEU 64 N -1.52 1.30 -0.18 -3.49 1.43 0.10 -3.35 118.68 112.96 2av7 s LEU 64 Ca -0.14 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2av7 s LEU 64 Cb -0.08 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.83 2av7 s LEU 64 CO -0.00 -0.17 -0.02 -0.22 0.23 0.00 0.00 176.35 176.17 2av7 s LEU 65 N -0.38 3.21 -0.08 1.79 2.96 -1.26 -1.08 118.68 123.84 2av7 s LEU 65 Ca -0.05 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2av7 s LEU 65 Cb -0.03 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2av7 s LEU 65 CO 0.01 0.10 0.02 -0.31 -1.32 0.00 0.00 176.35 174.84 2av7 s TYR 66 N 0.79 3.20 0.01 5.38 1.51 -0.36 -0.65 117.35 127.22 2av7 s TYR 66 Ca -0.01 0.22 -0.23 0.00 -1.01 0.00 0.00 57.07 56.04 2av7 s TYR 66 Cb -0.14 -1.79 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 2av7 s TYR 66 CO 0.02 0.49 0.51 1.52 -1.11 0.00 0.00 175.55 176.98 2av7 s TYR 67 N -0.92 -0.42 -0.02 2.71 1.13 0.98 -0.23 117.35 120.59 2av7 s TYR 67 Ca 0.14 0.58 -0.10 0.00 -1.41 0.00 0.00 57.07 56.28 2av7 s TYR 67 Cb -0.11 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.06 2av7 s TYR 67 CO 0.03 -0.57 0.22 -0.08 -2.51 0.00 0.00 175.55 172.64 2av7 s THR 68 N -1.88 0.06 0.33 -3.49 -1.32 -0.81 -0.54 115.64 107.99 2av7 s THR 68 Ca -0.08 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 59.61 2av7 s THR 68 Cb -0.01 -0.49 -0.10 0.00 -1.51 0.00 0.00 72.50 70.38 2av7 s THR 68 CO 0.03 -0.28 1.31 -1.61 -2.21 0.00 0.00 174.62 171.86 2av7 s GLU 69 N -1.13 4.34 0.03 7.08 2.02 -1.26 -0.59 118.70 129.18 2av7 s GLU 69 Ca -0.12 2.22 -0.27 0.00 0.02 0.00 0.00 54.97 56.81 2av7 s GLU 69 Cb -0.06 -3.06 0.09 0.00 0.10 0.00 0.00 34.13 31.20 2av7 s GLU 69 CO 0.02 -0.20 0.74 -0.59 0.02 0.00 0.00 175.26 175.25 2av7 s PHE 70 N -1.15 -0.50 -0.21 1.61 -0.71 -0.46 -4.84 117.98 111.72 2av7 s PHE 70 Ca 0.49 0.54 0.01 0.00 -1.04 0.00 0.00 56.93 56.93 2av7 s PHE 70 Cb -0.40 0.50 0.05 0.00 -1.21 0.00 0.00 43.02 41.96 2av7 s PHE 70 CO 0.53 -0.65 -0.10 0.99 -1.34 0.00 0.00 175.22 174.65 2av7 s THR 71 N -2.62 1.71 0.53 -4.49 2.01 -1.26 0.69 115.64 112.21 2av7 s THR 71 Ca -0.01 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 60.65 2av7 s THR 71 Cb -0.01 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 2av7 s THR 71 CO -0.04 0.11 1.25 -2.16 -0.69 0.00 0.00 174.62 173.09 2av7 s PRO 72 N 1.35 3.32 0.30 4.92 0.04 -1.26 -4.79 135.00 138.88 2av7 s PRO 72 Ca -0.03 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2av7 s PRO 72 Cb -0.17 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 2av7 s PRO 72 CO -0.08 -0.96 0.05 0.95 0.04 0.00 0.00 177.00 177.00 2av7 s THR 73 N -1.46 1.06 0.22 1.26 -4.23 -1.26 -1.42 115.64 109.81 2av7 s THR 73 Ca 0.70 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2av7 s THR 73 Cb -0.34 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 70.91 2av7 s THR 73 CO 0.39 -0.05 1.72 -0.08 -0.54 0.00 0.00 174.62 176.06 2av7 h GLU 74 N 2.22 1.00 0.13 3.99 4.81 -1.98 -3.30 114.58 121.45 2av7 h GLU 74 Ca -0.40 -0.27 -0.28 0.00 -0.13 0.00 0.00 59.36 58.28 2av7 h GLU 74 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2av7 h GLU 74 CO 0.67 0.94 -1.30 0.87 -0.73 0.00 0.00 179.01 179.46 2av7 h LYS 75 N 0.93 0.28 -6.65 1.92 1.79 -2.02 -3.47 116.57 109.35 2av7 h LYS 75 Ca 0.18 -0.47 -0.52 0.00 -2.18 0.00 0.00 60.65 57.66 2av7 h LYS 75 Cb 0.44 0.18 0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2av7 h LYS 75 CO 0.01 1.21 0.65 -0.51 -1.08 0.00 0.00 179.45 179.73 2av7 s ASP 76 N -7.13 6.91 -0.14 0.86 1.01 -1.24 -5.00 116.67 111.93 2av7 s ASP 76 Ca -0.05 2.36 -0.05 0.00 0.71 0.00 0.00 52.55 55.52 2av7 s ASP 76 Cb 0.07 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2av7 s ASP 76 CO 0.88 -0.53 0.03 -1.61 0.21 0.00 0.00 175.17 174.15 2av7 s GLU 77 N 0.09 3.54 0.23 8.23 2.02 -1.26 -4.78 118.70 126.78 2av7 s GLU 77 Ca 0.57 -0.39 0.10 0.00 0.02 0.00 0.00 54.97 55.28 2av7 s GLU 77 Cb -0.36 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 2av7 s GLU 77 CO 0.37 0.45 -0.18 0.71 0.02 0.00 0.00 175.26 176.63 2av7 s TYR 78 N -0.15 2.01 0.20 1.61 1.51 -1.26 -0.68 117.35 120.58 2av7 s TYR 78 Ca 0.06 -0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 55.44 2av7 s TYR 78 Cb -0.12 -0.91 0.05 0.00 -0.11 0.00 0.00 41.96 40.87 2av7 s TYR 78 CO 0.02 0.53 0.74 0.00 -1.11 0.00 0.00 175.55 175.72 2av7 s ALA 79 N -2.62 -1.46 -0.06 3.71 0.00 -0.59 -0.75 121.76 120.00 2av7 s ALA 79 Ca 0.25 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.38 2av7 s ALA 79 Cb -0.03 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2av7 s ALA 79 CO 0.11 -0.93 -0.19 0.00 0.00 0.00 0.00 175.76 174.75 2av7 s ARG 81 N 0.12 2.35 -0.03 0.00 3.52 -0.37 -0.69 118.95 123.85 2av7 s ARG 81 Ca -0.07 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 2av7 s ARG 81 Cb -0.13 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2av7 s ARG 81 CO 0.04 -0.05 -0.17 0.08 -0.81 0.00 0.00 175.30 174.39 2av7 s VAL 82 N 0.95 1.36 0.06 7.11 1.01 0.23 -0.93 120.40 130.19 2av7 s VAL 82 Ca -0.07 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2av7 s VAL 82 Cb -0.15 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2av7 s VAL 82 CO -0.01 0.39 -0.14 0.21 0.00 0.00 0.00 175.10 175.55 2av7 s ASN 83 N -0.16 1.63 0.16 3.32 3.04 -0.07 -1.27 114.94 121.59 2av7 s ASN 83 Ca 0.01 -0.58 -0.23 0.00 0.04 0.00 0.00 52.86 52.10 2av7 s ASN 83 Cb -0.09 -0.06 0.07 0.00 -1.54 0.00 0.00 41.25 39.63 2av7 s ASN 83 CO 0.01 -0.06 0.60 -2.28 -3.04 0.00 0.00 177.10 172.33 2av7 s HIS 84 N -1.18 -0.53 0.38 0.43 5.65 -1.26 -0.83 115.29 117.95 2av7 s HIS 84 Ca -0.02 0.31 0.07 0.00 0.25 0.00 0.00 55.06 55.68 2av7 s HIS 84 Cb -0.10 0.56 0.81 0.00 -1.18 0.00 0.00 32.58 32.67 2av7 s HIS 84 CO 0.02 -0.86 1.98 -0.39 -0.65 0.00 0.00 174.74 174.84 2av7 h VAL 85 N 2.00 1.02 0.00 0.89 -1.51 -1.95 -1.59 116.25 115.12 2av7 h VAL 85 Ca -0.34 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2av7 h VAL 85 Cb 1.31 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2av7 h VAL 85 CO 0.38 0.12 0.00 0.35 -1.23 0.00 0.00 177.57 177.19 2av7 n THR 86 N -4.47 0.40 -4.96 7.19 -2.24 -1.26 -4.72 114.28 104.22 2av7 n THR 86 Ca 0.09 0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.65 2av7 n THR 86 Cb 0.21 -0.95 -0.17 0.00 -2.10 0.00 0.00 70.33 67.33 2av7 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2av7 s LEU 87 N -2.29 2.16 0.24 3.22 1.43 -0.60 -4.98 118.68 117.86 2av7 s LEU 87 Ca 0.12 -0.56 0.25 0.00 -1.03 0.00 0.00 54.13 52.91 2av7 s LEU 87 Cb 0.06 -1.44 0.58 0.00 0.03 0.00 0.00 46.19 45.42 2av7 s LEU 87 CO 0.13 0.13 1.61 0.77 0.23 0.00 0.00 176.35 179.22 2av7 h SER 88 N 6.96 0.00 -5.09 2.29 4.64 -1.84 -3.42 113.55 117.08 2av7 h SER 88 Ca -0.25 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 2av7 h SER 88 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 2av7 h SER 88 CO 0.51 0.02 -0.21 -1.10 -0.87 0.00 0.00 176.83 175.18 2av7 s GLN 89 N -3.15 0.92 0.24 4.77 -0.21 -1.26 -5.13 119.66 115.84 2av7 s GLN 89 Ca 0.08 -0.71 -0.31 0.00 0.02 0.00 0.00 55.36 54.44 2av7 s GLN 89 Cb 0.11 0.40 -0.12 0.00 1.00 0.00 0.00 33.01 34.39 2av7 s GLN 89 CO 0.65 -0.32 1.66 -2.30 -2.12 0.00 0.00 175.29 172.86 2av7 n PRO 90 N 0.07 2.69 -3.21 2.91 -0.02 -1.26 -4.92 135.00 131.27 2av7 n PRO 90 Ca -0.17 0.97 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 2av7 n PRO 90 Cb 0.62 -2.78 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 2av7 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2av7 s LYS 91 N 0.54 4.10 -0.24 -0.52 2.47 -0.40 -4.87 119.74 120.82 2av7 s LYS 91 Ca 0.71 0.39 -0.13 0.00 -1.56 0.00 0.00 55.97 55.39 2av7 s LYS 91 Cb -0.52 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.17 2av7 s LYS 91 CO 0.39 -0.33 0.27 0.42 0.16 0.00 0.00 175.35 176.25 2av7 s ILE 92 N 2.25 5.28 -0.18 5.43 1.01 -1.26 -0.60 121.20 133.13 2av7 s ILE 92 Ca 0.23 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 2av7 s ILE 92 Cb -0.16 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 2av7 s ILE 92 CO 0.09 0.28 -0.11 -0.69 0.00 0.00 0.00 174.94 174.52 2av7 s VAL 93 N 1.34 2.98 0.30 2.92 1.01 0.13 -4.97 120.40 124.11 2av7 s VAL 93 Ca 0.12 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 2av7 s VAL 93 Cb -0.14 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 2av7 s VAL 93 CO 0.07 0.48 0.89 -0.54 0.00 0.00 0.00 175.10 176.00 2av7 s LYS 94 N 1.07 4.50 -0.02 2.72 1.02 -1.26 -1.06 119.74 126.71 2av7 s LYS 94 Ca -0.00 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.90 2av7 s LYS 94 Cb -0.15 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2av7 s LYS 94 CO -0.02 0.31 1.38 -0.46 -0.92 0.00 0.00 175.35 175.64 2av7 s TRP 95 N -1.59 2.86 -0.30 3.18 -0.00 0.08 -4.86 118.94 118.31 2av7 s TRP 95 Ca 0.48 0.86 0.00 0.00 -0.00 0.00 0.00 56.10 57.44 2av7 s TRP 95 Cb -0.18 -3.63 0.06 0.00 -0.00 0.00 0.00 33.47 29.72 2av7 s TRP 95 CO 0.23 -2.31 -0.02 0.34 -0.00 0.00 0.00 176.95 175.19 2av7 s ASP 96 N 1.89 4.75 0.00 5.86 -1.08 -1.26 -4.73 116.67 122.10 2av7 s ASP 96 Ca 0.63 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 2av7 s ASP 96 Cb -0.30 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.50 2av7 s ASP 96 CO 0.25 -0.27 0.42 -2.11 0.52 0.00 0.00 175.17 173.99 2av7 n ARG 97 N 4.52 0.47 0.00 4.34 1.85 -1.26 -1.40 116.66 125.18 2av7 n ARG 97 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2av7 n ARG 97 Cb 0.43 -1.26 -0.00 0.00 -1.05 0.00 0.00 32.46 30.58 2av7 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2av7 n ASP 98 N 0.66 0.18 0.00 2.89 9.92 -1.26 -4.91 116.55 124.03 2av7 n ASP 98 Ca 0.00 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 2av7 n ASP 98 Cb 0.21 0.85 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 2av7 n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56