#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bv2 s LYS 2 N 0.00 0.32 0.05 1.61 2.20 -0.63 -4.33 119.74 118.96 2bv2 s LYS 2 Ca 0.00 0.79 0.05 0.00 -0.36 0.00 0.00 55.97 56.45 2bv2 s LYS 2 Cb 0.00 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2bv2 s LYS 2 CO 0.00 -0.19 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.15 2bv2 s ILE 3 N 1.73 1.15 -0.10 5.43 2.07 -0.35 -1.07 121.20 130.06 2bv2 s ILE 3 Ca -0.07 -1.07 0.01 0.00 -1.41 0.00 0.00 60.65 58.12 2bv2 s ILE 3 Cb -0.10 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.46 2bv2 s ILE 3 CO -0.12 -0.02 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.13 2bv2 s ILE 4 N -0.92 1.30 -0.09 2.00 1.01 0.15 -0.60 121.20 124.06 2bv2 s ILE 4 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2bv2 s ILE 4 Cb -0.08 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2bv2 s ILE 4 CO 0.01 0.40 -0.01 -0.76 0.00 0.00 0.00 174.94 174.59 2bv2 s LEU 5 N 1.13 3.54 0.08 2.97 1.43 0.30 -0.79 118.68 127.34 2bv2 s LEU 5 Ca -0.05 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 2bv2 s LEU 5 Cb -0.14 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2bv2 s LEU 5 CO -0.03 0.37 -0.21 -0.36 0.23 0.00 0.00 176.35 176.35 2bv2 s PHE 6 N -0.84 1.82 0.12 0.29 0.08 -0.12 -1.02 117.98 118.31 2bv2 s PHE 6 Ca 0.13 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.63 2bv2 s PHE 6 Cb -0.11 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2bv2 s PHE 6 CO 0.02 0.17 1.55 1.49 -0.10 0.00 0.00 175.22 178.36 2bv2 h GLU 7 N 4.35 0.69 -6.18 0.44 4.81 -0.95 -1.36 114.58 116.38 2bv2 h GLU 7 Ca -0.45 -0.23 -0.53 0.00 -0.13 0.00 0.00 59.36 58.02 2bv2 h GLU 7 Cb 1.17 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 2bv2 h GLU 7 CO 0.41 0.80 -0.57 -0.51 -0.73 0.00 0.00 179.01 178.40 2bv2 s ASP 8 N -6.21 4.96 0.94 1.04 1.01 -0.33 -3.52 116.67 114.56 2bv2 s ASP 8 Ca -0.13 -0.52 -0.11 0.00 0.71 0.00 0.00 52.55 52.50 2bv2 s ASP 8 Cb 0.10 -1.03 0.16 0.00 1.01 0.00 0.00 42.92 43.16 2bv2 s ASP 8 CO 0.79 -0.09 1.12 0.68 0.21 0.00 0.00 175.17 177.88 2bv2 s VAL 9 N -2.27 2.23 -1.48 -1.27 -7.23 -1.26 -3.22 120.40 105.90 2bv2 s VAL 9 Ca 0.34 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.54 2bv2 s VAL 9 Cb -0.06 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.72 2bv2 s VAL 9 CO 0.23 -0.10 0.37 -0.62 -0.31 0.00 0.00 175.10 174.66 2bv2 n GLU 10 N -4.26 -3.53 -2.62 4.82 -0.58 0.78 -2.74 120.64 112.50 2bv2 n GLU 10 Ca 0.10 0.80 -0.15 0.00 -0.42 0.00 0.00 57.16 57.48 2bv2 n GLU 10 Cb 0.53 -5.56 0.01 0.00 -0.57 0.00 0.00 31.44 25.86 2bv2 n GLU 10 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2bv2 n PHE 11 N -4.13 -1.16 -3.27 -0.32 3.72 -1.21 -5.01 117.46 106.08 2bv2 n PHE 11 Ca -0.13 0.25 -0.20 0.00 -0.05 0.00 0.00 57.45 57.32 2bv2 n PHE 11 Cb 0.62 -3.36 0.01 0.00 -0.94 0.00 0.00 39.48 35.81 2bv2 n PHE 11 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2bv2 s GLY 12 N -2.64 1.99 0.00 1.37 0.00 -1.11 -4.98 107.32 101.95 2bv2 s GLY 12 Ca 0.14 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2bv2 s GLY 12 CO 0.18 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2bv2 n GLY 13 N -1.87 -0.26 3.77 0.20 0.00 -1.26 -1.19 105.19 104.58 2bv2 n GLY 13 Ca 0.08 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 2bv2 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bv2 s LYS 14 N 0.00 4.25 0.20 1.61 2.20 -1.26 -4.70 119.74 122.04 2bv2 s LYS 14 Ca 0.00 2.11 0.09 0.00 -0.36 0.00 0.00 55.97 57.81 2bv2 s LYS 14 Cb 0.00 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 2bv2 s LYS 14 CO 0.00 -0.24 -0.17 -1.59 -0.36 0.00 0.00 175.35 172.99 2bv2 s LYS 15 N -1.94 1.38 -0.06 4.03 -2.85 -1.26 -0.78 119.74 118.26 2bv2 s LYS 15 Ca 0.51 -1.55 -0.03 0.00 -1.00 0.00 0.00 55.97 53.91 2bv2 s LYS 15 Cb -0.37 -1.35 0.04 0.00 -2.06 0.00 0.00 37.83 34.08 2bv2 s LYS 15 CO 0.49 0.25 0.11 -1.17 0.10 0.00 0.00 175.35 175.13 2bv2 s LEU 16 N -3.07 0.04 -0.06 2.77 2.96 -0.19 -4.99 118.68 116.15 2bv2 s LEU 16 Ca 0.21 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 2bv2 s LEU 16 Cb -0.04 0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.66 2bv2 s LEU 16 CO 0.08 -0.25 0.28 -1.61 -1.32 0.00 0.00 176.35 173.53 2bv2 s GLU 17 N 2.23 3.68 0.01 1.98 2.02 -1.26 -0.54 118.70 126.83 2bv2 s GLU 17 Ca 0.04 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.20 2bv2 s GLU 17 Cb -0.12 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2bv2 s GLU 17 CO -0.04 0.73 -0.07 -0.51 0.02 0.00 0.00 175.26 175.39 2bv2 s LEU 18 N -1.07 2.11 -0.04 1.80 1.43 0.23 -5.01 118.68 118.13 2bv2 s LEU 18 Ca 0.20 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2bv2 s LEU 18 Cb -0.14 -0.26 0.08 0.00 0.03 0.00 0.00 46.19 45.90 2bv2 s LEU 18 CO 0.09 -0.03 0.94 -0.62 0.23 0.00 0.00 176.35 176.96 2bv2 n GLU 19 N 2.36 1.50 -4.03 1.70 1.02 -1.26 -1.21 120.64 120.72 2bv2 n GLU 19 Ca -0.17 -1.53 -0.08 0.00 -0.02 0.00 0.00 57.16 55.36 2bv2 n GLU 19 Cb 0.57 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.93 2bv2 n GLU 19 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2bv2 s THR 20 N -1.19 0.17 0.55 2.62 -4.23 -1.26 -4.38 115.64 107.91 2bv2 s THR 20 Ca 0.09 -1.63 -0.21 0.00 -1.18 0.00 0.00 61.69 58.75 2bv2 s THR 20 Cb 0.08 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 2bv2 s THR 20 CO 0.01 -0.77 1.33 -0.44 -0.54 0.00 0.00 174.62 174.22 2bv2 s SER 21 N -2.93 5.30 -0.17 3.99 0.01 -1.26 -4.86 113.70 113.78 2bv2 s SER 21 Ca 0.10 2.71 -0.03 0.00 1.31 0.00 0.00 55.95 60.04 2bv2 s SER 21 Cb 0.07 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.72 2bv2 s SER 21 CO -0.08 -1.55 0.04 -0.69 0.41 0.00 0.00 173.24 171.37 2bv2 s VAL 22 N -1.34 0.42 0.26 3.43 1.01 0.11 -5.01 120.40 119.27 2bv2 s VAL 22 Ca 0.72 -0.37 0.22 0.00 0.00 0.00 0.00 61.98 62.55 2bv2 s VAL 22 Cb -0.39 -0.88 0.21 0.00 0.00 0.00 0.00 36.38 35.32 2bv2 s VAL 22 CO 0.46 -0.12 1.88 -1.28 0.00 0.00 0.00 175.10 176.03 2bv2 h SER 23 N 8.28 0.00 -2.17 3.32 0.87 -1.89 -1.70 113.55 120.26 2bv2 h SER 23 Ca -0.17 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.08 2bv2 h SER 23 Cb 1.12 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.75 2bv2 h SER 23 CO 0.32 0.25 -0.62 -0.62 -0.53 0.00 0.00 176.83 175.63 2bv2 s ASP 24 N -6.33 1.48 0.21 6.23 2.15 -1.26 -0.56 116.67 118.60 2bv2 s ASP 24 Ca -0.01 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 52.55 2bv2 s ASP 24 Cb 0.12 0.56 0.82 0.00 -0.30 0.00 0.00 42.92 44.12 2bv2 s ASP 24 CO 0.64 -0.37 1.51 0.18 -0.17 0.00 0.00 175.17 176.96 2bv2 n LEU 25 N 5.32 0.41 0.17 -1.34 4.77 -0.07 -2.06 117.00 124.21 2bv2 n LEU 25 Ca -0.03 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 2bv2 n LEU 25 Cb 0.47 -0.67 0.66 0.00 -2.33 0.00 0.00 43.42 41.55 2bv2 n LEU 25 CO 0.02 -0.70 1.11 0.78 -1.33 0.00 0.00 177.39 177.27 2bv2 h ASN 26 N 0.00 0.00 0.44 -1.43 2.35 -1.88 -0.90 115.58 114.15 2bv2 h ASN 26 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2bv2 h ASN 26 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2bv2 h ASN 26 CO 0.00 0.00 -0.08 -0.37 -1.65 0.00 0.00 177.43 175.33 2bv2 h VAL 27 N 0.00 0.38 -0.45 2.81 -1.51 -1.84 -1.57 116.25 114.07 2bv2 h VAL 27 Ca 0.09 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2bv2 h VAL 27 Cb 0.35 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2bv2 h VAL 27 CO -0.00 0.08 0.00 1.41 -1.23 0.00 0.00 177.57 177.83 2bv2 n HIS 28 N -3.45 0.60 -1.98 5.19 8.25 -0.54 -4.97 115.22 118.32 2bv2 n HIS 28 Ca -0.02 -0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 56.90 2bv2 n HIS 28 Cb 0.23 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 2bv2 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bv2 n GLY 29 N 1.04 0.30 0.05 -1.41 0.00 -0.59 -4.93 105.19 99.65 2bv2 n GLY 29 Ca 0.16 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2bv2 n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bv2 n PHE 30 N -3.60 0.00 -2.31 1.61 3.72 -0.46 -4.98 117.46 111.45 2bv2 n PHE 30 Ca -0.14 -0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 56.00 2bv2 n PHE 30 Cb 0.55 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 2bv2 n PHE 30 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bv2 s ASN 31 N -2.30 6.97 -1.48 4.37 2.47 -1.23 -3.88 114.94 119.87 2bv2 s ASN 31 Ca 0.22 2.18 -0.11 0.00 0.42 0.00 0.00 52.86 55.57 2bv2 s ASN 31 Cb 0.19 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 37.47 2bv2 s ASN 31 CO 0.02 -0.53 0.95 0.47 -3.72 0.00 0.00 177.10 174.29 2bv2 n ASP 32 N 3.69 -4.23 0.00 -4.21 8.00 -0.66 -4.85 116.55 114.29 2bv2 n ASP 32 Ca 0.09 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2bv2 n ASP 32 Cb 0.44 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2bv2 n ASP 32 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2bv2 n ILE 33 N -4.64 0.00 -2.23 0.53 -5.35 -1.25 -4.57 119.36 101.85 2bv2 n ILE 33 Ca -0.03 -0.19 -0.42 0.00 -0.27 0.00 0.00 62.75 61.85 2bv2 n ILE 33 Cb 0.56 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 2bv2 n ILE 33 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2bv2 s VAL 34 N -0.43 3.42 0.00 7.28 1.01 -1.26 -4.49 120.40 125.94 2bv2 s VAL 34 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2bv2 s VAL 34 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2bv2 s VAL 34 CO 0.00 0.10 0.00 -1.20 0.00 0.00 0.00 175.10 174.00 2bv2 n SER 35 N 3.66 0.62 -3.80 3.32 7.64 -0.52 -2.03 113.62 122.52 2bv2 n SER 35 Ca 0.10 -0.24 -0.10 0.00 1.01 0.00 0.00 58.87 59.64 2bv2 n SER 35 Cb 0.43 0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 64.18 2bv2 n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bv2 s SER 36 N -0.73 -0.12 -0.06 6.43 1.04 -1.17 -3.24 113.70 115.85 2bv2 s SER 36 Ca 0.00 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 2bv2 s SER 36 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2bv2 s SER 36 CO 0.00 -0.93 0.20 -0.63 0.98 0.00 0.00 173.24 172.86 2bv2 s ILE 37 N -3.89 0.02 -0.12 -1.02 1.01 -0.49 -0.95 121.20 115.77 2bv2 s ILE 37 Ca 0.10 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2bv2 s ILE 37 Cb 0.01 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.15 2bv2 s ILE 37 CO -0.05 -0.10 -0.18 -0.63 0.00 0.00 0.00 174.94 173.98 2bv2 s ILE 38 N -0.29 1.74 -0.27 2.92 1.01 0.03 -0.19 121.20 126.14 2bv2 s ILE 38 Ca -0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 2bv2 s ILE 38 Cb -0.03 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 2bv2 s ILE 38 CO 0.01 0.49 0.27 -0.69 0.00 0.00 0.00 174.94 175.02 2bv2 s VAL 39 N 0.84 5.25 -0.09 2.92 1.01 -0.48 0.35 120.40 130.20 2bv2 s VAL 39 Ca -0.08 0.35 0.12 0.00 0.00 0.00 0.00 61.98 62.37 2bv2 s VAL 39 Cb -0.15 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.39 2bv2 s VAL 39 CO -0.00 0.21 0.47 -0.62 0.00 0.00 0.00 175.10 175.15 2bv2 n GLU 40 N 5.17 0.66 -3.55 2.72 1.02 -0.23 -1.10 120.64 125.32 2bv2 n GLU 40 Ca -0.12 0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2bv2 n GLU 40 Cb 0.51 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2bv2 n GLU 40 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2bv2 s SER 41 N -6.02 -0.54 0.00 1.62 1.04 -1.15 -4.88 113.70 103.78 2bv2 s SER 41 Ca -0.08 0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2bv2 s SER 41 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2bv2 s SER 41 CO 0.82 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2bv2 n GLY 42 N 0.91 -1.51 3.79 7.32 0.00 -1.26 -1.60 105.19 112.84 2bv2 n GLY 42 Ca -0.15 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 2bv2 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bv2 s THR 43 N -2.44 5.31 -0.02 2.61 2.01 -1.26 -3.87 115.64 117.98 2bv2 s THR 43 Ca 0.00 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2bv2 s THR 43 Cb 0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2bv2 s THR 43 CO 0.00 0.50 -0.18 0.26 -0.69 0.00 0.00 174.62 174.51 2bv2 s TRP 44 N -0.29 1.68 -0.16 4.92 0.52 0.27 -1.27 118.94 124.60 2bv2 s TRP 44 Ca 0.17 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 55.85 2bv2 s TRP 44 Cb -0.13 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 2bv2 s TRP 44 CO 0.05 -0.08 0.05 -0.06 0.02 0.00 0.00 176.95 176.93 2bv2 s PHE 45 N -0.27 3.23 -0.02 -1.98 0.08 0.10 -0.27 117.98 118.86 2bv2 s PHE 45 Ca 0.03 0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.22 2bv2 s PHE 45 Cb -0.09 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2bv2 s PHE 45 CO 0.00 0.20 -0.23 0.14 -0.10 0.00 0.00 175.22 175.23 2bv2 s VAL 46 N 0.14 2.32 0.03 -0.44 -7.23 -0.40 0.35 120.40 115.17 2bv2 s VAL 46 Ca 0.04 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2bv2 s VAL 46 Cb -0.12 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2bv2 s VAL 46 CO 0.01 0.54 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.84 2bv2 s PHE 47 N -0.68 1.29 -1.47 2.82 0.08 -0.17 -1.24 117.98 118.61 2bv2 s PHE 47 Ca 0.11 -0.34 0.29 0.00 0.12 0.00 0.00 56.93 57.11 2bv2 s PHE 47 Cb -0.10 -0.78 1.26 0.00 -0.57 0.00 0.00 43.02 42.83 2bv2 s PHE 47 CO 0.00 0.03 1.89 -0.25 -0.10 0.00 0.00 175.22 176.79 2bv2 n ASP 48 N 2.02 0.29 -4.33 1.36 8.00 -0.27 -0.55 116.55 123.07 2bv2 n ASP 48 Ca -0.17 -0.32 -0.18 0.00 0.71 0.00 0.00 54.79 54.83 2bv2 n ASP 48 Cb 0.55 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 2bv2 n ASP 48 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2bv2 s ASP 49 N -2.59 2.30 0.74 -2.24 -0.00 -0.79 -4.31 116.67 109.78 2bv2 s ASP 49 Ca 0.26 -1.08 -0.15 0.00 -0.00 0.00 0.00 52.55 51.59 2bv2 s ASP 49 Cb 0.20 -0.09 0.04 0.00 -0.00 0.00 0.00 42.92 43.07 2bv2 s ASP 49 CO 0.49 -0.29 1.19 -0.70 -0.00 0.00 0.00 175.17 175.87 2bv2 s GLU 50 N -3.72 2.11 -1.39 8.23 -6.30 -1.26 -3.76 118.70 112.61 2bv2 s GLU 50 Ca 0.23 1.70 -0.08 0.00 -2.50 0.00 0.00 54.97 54.32 2bv2 s GLU 50 Cb 0.02 -1.84 0.01 0.00 0.00 0.00 0.00 34.13 32.32 2bv2 s GLU 50 CO 0.06 -1.85 1.10 0.41 0.02 0.00 0.00 175.26 175.01 2bv2 n GLY 51 N 0.27 -0.55 3.62 -1.50 0.00 0.28 -3.17 105.19 104.14 2bv2 n GLY 51 Ca 0.13 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 2bv2 n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bv2 n PHE 52 N -4.94 -2.22 -4.44 1.61 3.72 -1.25 -5.00 117.46 104.94 2bv2 n PHE 52 Ca -0.01 0.91 -0.23 0.00 -0.05 0.00 0.00 57.45 58.07 2bv2 n PHE 52 Cb 0.57 -4.69 -0.08 0.00 -0.94 0.00 0.00 39.48 34.33 2bv2 n PHE 52 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2bv2 s SER 53 N -4.06 2.35 0.00 4.37 1.04 -1.19 -5.08 113.70 111.13 2bv2 s SER 53 Ca 0.18 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.94 2bv2 s SER 53 Cb -0.08 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2bv2 s SER 53 CO 0.77 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2bv2 n GLY 54 N -0.80 -2.46 3.59 7.32 0.00 -1.26 -1.88 105.19 109.69 2bv2 n GLY 54 Ca -0.02 -1.59 -0.50 0.00 0.00 0.00 0.00 46.02 43.91 2bv2 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bv2 n PRO 55 N -0.84 1.20 -4.36 1.61 -0.02 -1.26 -4.64 135.00 126.69 2bv2 n PRO 55 Ca 0.00 0.43 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 2bv2 n PRO 55 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 2bv2 n PRO 55 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2bv2 s SER 56 N 0.17 2.91 -0.03 2.55 1.04 -1.26 -1.12 113.70 117.96 2bv2 s SER 56 Ca 0.77 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2bv2 s SER 56 Cb -0.88 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.08 2bv2 s SER 56 CO 0.50 0.03 0.06 -0.31 0.98 0.00 0.00 173.24 174.50 2bv2 s TYR 57 N -1.82 -0.03 -0.19 5.02 1.51 -0.37 -4.99 117.35 116.48 2bv2 s TYR 57 Ca 0.16 0.20 -0.13 0.00 -1.01 0.00 0.00 57.07 56.30 2bv2 s TYR 57 Cb -0.07 -0.13 -0.05 0.00 -0.11 0.00 0.00 41.96 41.60 2bv2 s TYR 57 CO 0.07 -0.09 0.24 0.21 -1.11 0.00 0.00 175.55 174.88 2bv2 s LYS 58 N 0.80 4.19 -0.06 -0.62 2.20 -1.26 -1.28 119.74 123.71 2bv2 s LYS 58 Ca -0.07 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 2bv2 s LYS 58 Cb -0.09 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2bv2 s LYS 58 CO -0.03 0.17 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.50 2bv2 s LEU 59 N 0.71 1.65 0.46 5.43 1.43 0.63 -5.00 118.68 123.99 2bv2 s LEU 59 Ca 0.13 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2bv2 s LEU 59 Cb -0.13 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2bv2 s LEU 59 CO 0.03 0.04 0.41 0.42 0.23 0.00 0.00 176.35 177.48 2bv2 s THR 60 N 0.61 2.38 0.22 5.49 -4.23 -1.26 -0.57 115.64 118.29 2bv2 s THR 60 Ca -0.13 -1.36 -0.32 0.00 -1.18 0.00 0.00 61.69 58.71 2bv2 s THR 60 Cb -0.15 -2.74 -0.14 0.00 1.34 0.00 0.00 72.50 70.81 2bv2 s THR 60 CO 0.03 0.00 1.30 -2.65 -0.54 0.00 0.00 174.62 172.77 2bv2 n PRO 61 N -1.65 1.71 0.00 3.99 -0.02 -1.25 -4.67 135.00 133.11 2bv2 n PRO 61 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2bv2 n PRO 61 Cb 0.62 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2bv2 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bv2 n GLY 62 N 2.03 0.92 3.86 -1.23 0.00 -0.26 -4.98 105.19 105.53 2bv2 n GLY 62 Ca 0.12 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 2bv2 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bv2 s LYS 63 N -1.87 3.30 -0.42 1.61 1.02 -1.26 -1.38 119.74 120.75 2bv2 s LYS 63 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.65 2bv2 s LYS 63 Cb 0.00 -3.02 0.14 0.00 -0.52 0.00 0.00 37.83 34.43 2bv2 s LYS 63 CO 0.00 0.68 0.25 0.71 -0.92 0.00 0.00 175.35 176.07 2bv2 s TYR 64 N -1.23 1.59 -0.78 3.18 1.51 0.73 -5.01 117.35 117.34 2bv2 s TYR 64 Ca 0.24 -2.20 0.22 0.00 -1.01 0.00 0.00 57.07 54.31 2bv2 s TYR 64 Cb -0.12 -1.55 0.88 0.00 -0.11 0.00 0.00 41.96 41.06 2bv2 s TYR 64 CO 0.15 -0.79 1.68 -0.35 -1.11 0.00 0.00 175.55 175.13 2bv2 n PRO 65 N 3.59 0.11 -3.80 -1.71 -0.04 -1.26 -1.39 135.00 130.49 2bv2 n PRO 65 Ca 0.12 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2bv2 n PRO 65 Cb 0.36 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2bv2 n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bv2 s ASN 66 N -3.68 -0.27 0.39 3.54 2.20 -1.26 -0.16 114.94 115.72 2bv2 s ASN 66 Ca 0.08 -0.56 0.11 0.00 -0.94 0.00 0.00 52.86 51.55 2bv2 s ASN 66 Cb 0.12 0.65 0.91 0.00 -2.00 0.00 0.00 41.25 40.93 2bv2 s ASN 66 CO 0.41 -1.20 1.93 -0.65 -2.94 0.00 0.00 177.10 174.65 2bv2 h PRO 67 N 2.09 0.55 -0.12 3.55 0.11 -1.85 0.16 132.00 136.50 2bv2 h PRO 67 Ca -0.24 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.87 2bv2 h PRO 67 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bv2 h PRO 67 CO 0.30 0.37 0.12 0.78 -0.21 0.00 0.00 178.00 179.36 2bv2 h GLY 68 N 0.57 0.00 2.00 -0.55 0.00 -1.94 -1.01 103.07 102.14 2bv2 h GLY 68 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2bv2 h GLY 68 CO -0.13 0.00 -0.11 0.23 0.00 0.00 0.00 176.54 176.53 2bv2 h SER 69 N 0.00 0.00 -0.41 0.19 0.87 -1.03 -2.19 113.55 110.98 2bv2 h SER 69 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2bv2 h SER 69 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2bv2 h SER 69 CO -0.00 0.11 0.00 -2.67 -0.53 0.00 0.00 176.83 173.74 2bv2 n TRP 70 N -4.27 0.54 -1.82 2.24 2.14 -0.56 -4.98 117.44 110.74 2bv2 n TRP 70 Ca -0.03 -0.46 -0.08 0.00 2.07 0.00 0.00 57.50 59.01 2bv2 n TRP 70 Cb 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 31.31 30.65 2bv2 n TRP 70 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2bv2 n GLY 71 N 0.78 0.38 0.00 -1.67 0.00 -0.78 -4.87 105.19 99.02 2bv2 n GLY 71 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2bv2 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bv2 n GLY 72 N -1.37 7.54 3.44 -0.02 0.00 -0.49 -4.96 105.19 109.32 2bv2 n GLY 72 Ca -0.09 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 2bv2 n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bv2 s ASN 73 N 1.00 3.76 0.38 1.61 0.01 -1.26 -4.11 114.94 116.32 2bv2 s ASN 73 Ca 0.00 -0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 51.53 2bv2 s ASN 73 Cb 0.00 -0.65 -0.10 0.00 0.41 0.00 0.00 41.25 40.91 2bv2 s ASN 73 CO 0.00 0.30 1.34 -0.62 -1.51 0.00 0.00 177.10 176.61 2bv2 s ASP 74 N -1.04 6.45 -1.49 -1.22 2.15 -1.26 -3.65 116.67 116.61 2bv2 s ASP 74 Ca 0.13 2.74 -0.11 0.00 0.43 0.00 0.00 52.55 55.74 2bv2 s ASP 74 Cb -0.10 -2.65 0.07 0.00 -0.30 0.00 0.00 42.92 39.94 2bv2 s ASP 74 CO 0.02 -0.77 0.92 0.47 -0.17 0.00 0.00 175.17 175.65 2bv2 n ASP 75 N 0.39 -3.99 0.00 -0.34 10.43 -0.86 -4.84 116.55 117.33 2bv2 n ASP 75 Ca 0.02 -0.79 0.00 0.00 2.57 0.00 0.00 54.79 56.59 2bv2 n ASP 75 Cb 0.42 -3.90 0.00 0.00 1.84 0.00 0.00 41.12 39.49 2bv2 n ASP 75 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2bv2 n GLU 76 N -4.60 2.27 -1.79 -1.24 -0.58 -1.24 -4.35 120.64 109.11 2bv2 n GLU 76 Ca -0.03 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 2bv2 n GLU 76 Cb 0.56 -0.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.64 2bv2 n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bv2 s LEU 77 N -2.07 4.35 0.00 -4.62 1.43 -1.26 -4.41 118.68 112.09 2bv2 s LEU 77 Ca 0.00 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 2bv2 s LEU 77 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2bv2 s LEU 77 CO 0.00 -0.90 0.00 -1.20 0.23 0.00 0.00 176.35 174.48 2bv2 n SER 78 N 2.18 1.98 -3.66 2.29 7.64 0.28 -1.65 113.62 122.68 2bv2 n SER 78 Ca 0.08 -0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 2bv2 n SER 78 Cb 0.38 0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 64.06 2bv2 n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bv2 s SER 79 N -0.93 -0.25 -0.01 6.43 1.04 -1.11 -0.89 113.70 117.97 2bv2 s SER 79 Ca 0.00 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 2bv2 s SER 79 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2bv2 s SER 79 CO 0.00 -0.74 0.04 0.68 0.98 0.00 0.00 173.24 174.20 2bv2 s VAL 80 N -3.02 0.01 -0.03 5.02 -7.23 -0.64 -1.00 120.40 113.51 2bv2 s VAL 80 Ca -0.02 -0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2bv2 s VAL 80 Cb 0.00 -0.10 0.01 0.00 0.56 0.00 0.00 36.38 36.86 2bv2 s VAL 80 CO -0.06 -0.05 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.87 2bv2 s LYS 81 N -0.15 0.65 0.29 4.82 2.20 0.15 -0.72 119.74 127.00 2bv2 s LYS 81 Ca -0.02 -0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 2bv2 s LYS 81 Cb -0.01 -0.66 -0.10 0.00 -1.51 0.00 0.00 37.83 35.55 2bv2 s LYS 81 CO 0.00 0.01 1.21 -0.65 -0.36 0.00 0.00 175.35 175.55 2bv2 s GLN 82 N 0.48 4.50 0.00 4.03 -0.21 -1.26 0.02 119.66 127.22 2bv2 s GLN 82 Ca -0.06 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.32 2bv2 s GLN 82 Cb -0.10 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.77 2bv2 s GLN 82 CO -0.00 -0.00 0.36 0.94 -2.12 0.00 0.00 175.29 174.47