#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9p n HIS 3 N 0.00 0.00 -4.33 0.00 8.25 -1.26 -5.19 115.22 112.69 2b9p n HIS 3 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2b9p n HIS 3 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2b9p n HIS 3 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2b9p s LYS 4 N 1.42 1.30 0.11 -0.41 2.20 -1.26 -5.17 119.74 117.93 2b9p s LYS 4 Ca 0.00 -1.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.01 2b9p s LYS 4 Cb 0.00 -0.85 0.01 0.00 -1.51 0.00 0.00 37.83 35.49 2b9p s LYS 4 CO 0.00 0.04 0.12 1.63 -0.36 0.00 0.00 175.35 176.78 2b9p n LYS 5 N -0.38 1.12 0.00 4.03 5.02 -1.26 -5.16 118.16 121.53 2b9p n LYS 5 Ca -0.07 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 2b9p n LYS 5 Cb 0.62 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 2b9p n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b9p n GLY 6 N 3.66 5.39 1.43 0.72 0.00 -1.26 -4.89 105.19 110.24 2b9p n GLY 6 Ca 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 2b9p n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b9p n VAL 7 N 0.00 0.00 -2.27 1.61 0.31 -1.26 -4.51 118.33 112.21 2b9p n VAL 7 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2b9p n VAL 7 Cb 0.00 -0.04 0.05 0.00 -0.91 0.00 0.00 33.84 32.94 2b9p n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b9p n GLY 8 N -0.28 1.67 0.00 2.92 0.00 -1.26 -5.01 105.19 103.23 2b9p n GLY 8 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2b9p n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b9p n SER 9 N 0.15 0.00 0.00 1.61 3.41 -1.26 -4.60 113.62 112.93 2b9p n SER 9 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2b9p n SER 9 Cb 1.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 2b9p n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2b9p n SER 10 N 0.00 0.00 -2.86 4.04 3.41 -1.26 -4.89 113.62 112.05 2b9p n SER 10 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2b9p n SER 10 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2b9p n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2b9p n LYS 11 N 1.07 0.86 -0.60 4.33 5.02 -1.26 -5.15 118.16 122.44 2b9p n LYS 11 Ca 0.00 -2.21 -0.22 0.00 -2.02 0.00 0.00 58.31 53.86 2b9p n LYS 11 Cb 0.00 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2b9p n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b9p n ASN 12 N 1.08 -3.06 -4.54 4.39 4.13 -1.26 -4.99 115.26 111.01 2b9p n ASN 12 Ca 0.12 0.07 -0.26 0.00 1.68 0.00 0.00 54.58 56.20 2b9p n ASN 12 Cb 0.64 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.37 2b9p n ASN 12 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2b9p s GLY 13 N -0.60 2.14 0.00 7.41 0.00 -1.26 -5.16 107.32 109.85 2b9p s GLY 13 Ca 0.23 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.90 2b9p s GLY 13 CO 0.46 -2.01 0.00 -0.96 0.00 0.00 0.00 173.10 170.59 2b9p n ARG 14 N -0.78 3.61 -4.13 2.90 -4.01 -1.26 -5.13 116.66 107.86 2b9p n ARG 14 Ca -0.05 0.00 -0.24 0.00 -1.04 0.00 0.00 57.85 56.52 2b9p n ARG 14 Cb 0.63 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.99 2b9p n ARG 14 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2b9p s ASP 15 N -0.78 5.34 0.00 2.89 1.11 -1.26 -5.12 116.67 118.85 2b9p s ASP 15 Ca 0.00 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.48 2b9p s ASP 15 Cb 0.00 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.67 2b9p s ASP 15 CO 0.00 0.03 0.00 -1.54 1.18 0.00 0.00 175.17 174.84 2b9p n SER 16 N -0.67 0.00 0.00 0.27 3.41 -1.26 -5.14 113.62 110.23 2b9p n SER 16 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2b9p n SER 16 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2b9p n SER 16 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2b9p n ASN 17 N 0.00 0.00 -2.26 4.04 3.02 -1.26 -5.17 115.26 113.63 2b9p n ASN 17 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2b9p n ASN 17 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2b9p n ASN 17 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2b9p n PRO 18 N 0.00 0.25 0.00 3.52 -0.04 -1.26 -5.05 135.00 132.41 2b9p n PRO 18 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2b9p n PRO 18 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2b9p n PRO 18 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2b9p n LYS 19 N -0.75 -1.95 -0.12 0.54 5.02 -1.21 -4.95 118.16 114.76 2b9p n LYS 19 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2b9p n LYS 19 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.15 2b9p n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2b9p n TYR 20 N -1.16 0.31 0.00 2.13 4.02 -1.26 -2.73 117.16 118.47 2b9p n TYR 20 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 2b9p n TYR 20 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2b9p n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2b9p n LEU 21 N 0.96 0.00 0.00 7.72 4.77 -1.26 -2.54 117.00 126.64 2b9p n LEU 21 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2b9p n LEU 21 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2b9p n LEU 21 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2b9p n GLY 22 N 0.00 1.39 0.26 -0.72 0.00 -1.26 -4.46 105.19 100.40 2b9p n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b9p n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b9p n VAL 23 N -2.00 0.00 -3.32 1.61 0.31 -1.05 -4.37 118.33 109.51 2b9p n VAL 23 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2b9p n VAL 23 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2b9p n VAL 23 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2b9p s LYS 24 N 0.00 3.23 0.00 5.55 3.01 -1.26 -4.63 119.74 125.64 2b9p s LYS 24 Ca 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 55.97 54.33 2b9p s LYS 24 Cb 0.00 -3.92 0.00 0.00 -1.01 0.00 0.00 37.83 32.90 2b9p s LYS 24 CO 0.00 -0.78 0.00 1.63 0.51 0.00 0.00 175.35 176.71 2b9p n LYS 25 N 5.61 0.00 -4.19 1.68 5.02 -1.25 -4.89 118.16 120.14 2b9p n LYS 25 Ca -0.07 0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 2b9p n LYS 25 Cb 0.48 -0.73 -0.08 0.00 -0.02 0.00 0.00 35.03 34.68 2b9p n LYS 25 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2b9p n PHE 26 N -0.62 -0.73 -1.54 2.13 3.01 -1.26 -4.78 117.46 113.67 2b9p n PHE 26 Ca 0.00 -2.73 -0.40 0.00 1.01 0.00 0.00 57.45 55.33 2b9p n PHE 26 Cb 0.24 0.27 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 2b9p n PHE 26 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b9p n GLY 27 N -0.63 0.26 3.68 1.37 0.00 -1.26 -4.08 105.19 104.53 2b9p n GLY 27 Ca 0.07 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.45 2b9p n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b9p s GLY 28 N 10.47 2.10 -0.12 -0.02 0.00 -1.26 -5.03 107.32 113.46 2b9p s GLY 28 Ca 1.06 0.47 0.00 0.00 0.00 0.00 0.00 44.72 46.25 2b9p s GLY 28 CO 0.34 2.13 -0.11 -0.54 0.00 0.00 0.00 173.10 174.92 2b9p s GLU 29 N 2.38 1.88 0.00 2.90 0.41 -1.26 -4.58 118.70 120.43 2b9p s GLU 29 Ca 0.52 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 2b9p s GLU 29 Cb -0.21 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2b9p s GLU 29 CO 0.18 -0.21 0.49 0.28 -0.49 0.00 0.00 175.26 175.51 2b9p n VAL 30 N 4.72 0.00 -3.44 2.63 0.31 -1.26 -4.60 118.33 116.69 2b9p n VAL 30 Ca -0.15 -0.44 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 2b9p n VAL 30 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 2b9p n VAL 30 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2b9p s VAL 31 N 2.31 0.00 0.00 2.52 1.01 -1.26 -4.99 120.40 120.00 2b9p s VAL 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2b9p s VAL 31 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2b9p s VAL 31 CO 0.00 -0.01 0.00 0.29 0.00 0.00 0.00 175.10 175.38 2b9p n LYS 32 N -0.15 0.00 0.00 2.72 4.76 -1.26 -4.78 118.16 119.45 2b9p n LYS 32 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2b9p n LYS 32 Cb 0.64 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.83 2b9p n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b9p n ALA 33 N 0.00 0.00 -2.61 7.82 0.00 -1.26 -4.84 120.51 119.63 2b9p n ALA 33 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2b9p n ALA 33 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2b9p n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2b9p s GLY 34 N 0.00 2.37 -0.04 0.00 0.00 -0.88 -4.41 107.32 104.36 2b9p s GLY 34 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.38 2b9p s GLY 34 CO 0.00 -0.07 -0.08 0.21 0.00 0.00 0.00 173.10 173.16 2b9p s ASN 35 N -1.31 1.18 0.00 1.64 3.84 -1.11 -4.06 114.94 115.12 2b9p s ASN 35 Ca 0.25 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.14 2b9p s ASN 35 Cb -0.15 -0.44 0.00 0.00 -0.55 0.00 0.00 41.25 40.12 2b9p s ASN 35 CO 0.13 0.02 0.10 -0.38 -2.79 0.00 0.00 177.10 174.18 2b9p n ILE 36 N 3.61 0.00 -2.98 -5.21 2.08 -1.26 -3.30 119.36 112.30 2b9p n ILE 36 Ca -0.21 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.14 2b9p n ILE 36 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 2b9p n ILE 36 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2b9p s LEU 37 N 0.00 -0.37 0.00 1.39 1.43 -1.13 -4.86 118.68 115.14 2b9p s LEU 37 Ca 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2b9p s LEU 37 Cb 0.00 0.89 0.00 0.00 0.03 0.00 0.00 46.19 47.11 2b9p s LEU 37 CO 0.00 -0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.04 2b9p n VAL 38 N 4.47 0.00 0.00 -1.59 0.31 -1.26 -2.41 118.33 117.85 2b9p n VAL 38 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2b9p n VAL 38 Cb 0.60 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2b9p n VAL 38 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2b9p n ARG 39 N 0.00 0.00 0.00 5.55 1.85 -1.26 -4.20 116.66 118.60 2b9p n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2b9p n ARG 39 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2b9p n ARG 39 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2b9p n GLN 40 N 0.00 0.00 -3.61 2.89 6.02 -1.01 -4.91 117.38 116.77 2b9p n GLN 40 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2b9p n GLN 40 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 2b9p n GLN 40 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2b9p s ARG 41 N 0.00 0.75 0.00 -1.09 0.52 -1.26 -4.87 118.95 112.99 2b9p s ARG 41 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 2b9p s ARG 41 Cb 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2b9p s ARG 41 CO 0.00 -1.12 0.00 0.41 0.02 0.00 0.00 175.30 174.61 2b9p n GLY 42 N 4.26 -0.40 0.00 -3.53 0.00 -1.26 -3.72 105.19 100.54 2b9p n GLY 42 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2b9p n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2b9p n THR 43 N -1.53 0.00 -3.89 2.61 5.66 -1.21 -4.50 114.28 111.43 2b9p n THR 43 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2b9p n THR 43 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 2b9p n THR 43 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2b9p s LYS 44 N 1.66 2.08 5.65 1.09 1.02 -1.26 -2.83 119.74 127.15 2b9p s LYS 44 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2b9p s LYS 44 Cb 0.00 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2b9p s LYS 44 CO 0.00 -0.85 0.00 1.19 -0.92 0.00 0.00 175.35 174.77 2b9p n PHE 45 N 4.53 0.00 -2.42 3.18 3.01 -1.26 -2.95 117.46 121.55 2b9p n PHE 45 Ca -0.06 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.21 2b9p n PHE 45 Cb 0.42 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.00 2b9p n PHE 45 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2b9p n LYS 46 N 12.20 -0.11 -4.11 -1.08 4.01 -1.26 -4.59 118.16 123.21 2b9p n LYS 46 Ca 0.00 -2.08 -0.14 0.00 -0.51 0.00 0.00 58.31 55.58 2b9p n LYS 46 Cb 0.00 -0.61 -0.13 0.00 -0.51 0.00 0.00 35.03 33.79 2b9p n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2b9p s ALA 47 N -3.22 0.52 0.00 7.82 0.00 -1.06 -3.38 121.76 122.45 2b9p s ALA 47 Ca 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2b9p s ALA 47 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2b9p s ALA 47 CO 0.36 0.04 0.02 0.41 0.00 0.00 0.00 175.76 176.59 2b9p n GLY 48 N 2.14 0.91 3.70 0.00 0.00 -1.26 -0.49 105.19 110.19 2b9p n GLY 48 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2b9p n GLY 48 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b9p s GLN 49 N -0.25 4.45 -0.13 1.61 1.03 -1.26 -2.22 119.66 122.89 2b9p s GLN 49 Ca 0.00 1.18 -0.30 0.00 0.04 0.00 0.00 55.36 56.27 2b9p s GLN 49 Cb 0.00 -3.49 0.12 0.00 0.03 0.00 0.00 33.01 29.66 2b9p s GLN 49 CO 0.00 -0.12 0.94 0.20 -2.54 0.00 0.00 175.29 173.78 2b9p s GLY 50 N 0.99 -0.33 0.00 2.60 0.00 -1.24 -2.70 107.32 106.65 2b9p s GLY 50 Ca 0.44 1.86 0.00 0.00 0.00 0.00 0.00 44.72 47.02 2b9p s GLY 50 CO 0.20 0.97 0.00 -0.62 0.00 0.00 0.00 173.10 173.65 2b9p n VAL 51 N 0.68 0.00 -0.02 1.40 0.31 -1.26 -1.41 118.33 118.03 2b9p n VAL 51 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.18 2b9p n VAL 51 Cb 0.58 -0.17 -0.01 0.00 -0.91 0.00 0.00 33.84 33.33 2b9p n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b9p n GLY 52 N 0.59 -0.05 0.00 2.92 0.00 -1.26 -5.12 105.19 102.27 2b9p n GLY 52 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2b9p n GLY 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2b9p n MET 53 N -2.91 0.00 0.00 1.61 2.81 -0.50 -5.11 117.12 113.02 2b9p n MET 53 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2b9p n MET 53 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2b9p n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b9p n GLY 54 N 0.00 -3.23 3.70 3.03 0.00 -1.26 -4.54 105.19 102.90 2b9p n GLY 54 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 2b9p n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2b9p s ARG 55 N 0.00 1.56 -0.06 1.61 1.70 -0.94 -4.02 118.95 118.79 2b9p s ARG 55 Ca 0.00 -0.78 0.01 0.00 -0.47 0.00 0.00 55.73 54.49 2b9p s ARG 55 Cb 0.00 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 2b9p s ARG 55 CO 0.00 -0.71 -0.07 0.34 -1.08 0.00 0.00 175.30 173.78 2b9p s ASP 56 N -2.85 1.40 0.09 -2.89 -1.08 0.36 -4.84 116.67 106.85 2b9p s ASP 56 Ca 0.08 -0.20 -0.02 0.00 -0.52 0.00 0.00 52.55 51.88 2b9p s ASP 56 Cb -0.04 -0.62 -0.05 0.00 -1.46 0.00 0.00 42.92 40.76 2b9p s ASP 56 CO -0.00 -0.04 0.28 -1.38 0.52 0.00 0.00 175.17 174.54 2b9p s HIS 57 N 1.00 3.51 -0.33 -5.34 0.00 -1.26 -2.56 115.29 110.30 2b9p s HIS 57 Ca -0.09 0.39 0.13 0.00 -3.00 0.00 0.00 55.06 52.49 2b9p s HIS 57 Cb -0.14 -1.87 0.46 0.00 -4.00 0.00 0.00 32.58 27.03 2b9p s HIS 57 CO -0.00 0.53 1.09 0.25 -1.00 0.00 0.00 174.74 175.61 2b9p n THR 58 N 0.28 1.78 0.00 -5.38 -2.24 -1.26 -3.84 114.28 103.62 2b9p n THR 58 Ca -0.05 -3.77 0.00 0.00 -2.27 0.00 0.00 64.05 57.96 2b9p n THR 58 Cb 0.51 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2b9p n THR 58 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2b9p n LEU 59 N -0.46 0.00 -3.67 3.22 4.77 -1.26 -4.07 117.00 115.54 2b9p n LEU 59 Ca 0.24 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 2b9p n LEU 59 Cb 0.81 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.81 2b9p n LEU 59 CO 0.27 0.00 0.08 -0.36 -1.33 0.00 0.00 177.39 176.05 2b9p s PHE 60 N 0.00 -0.79 -0.04 -1.77 0.40 -1.26 -4.30 117.98 110.22 2b9p s PHE 60 Ca 0.00 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 2b9p s PHE 60 Cb 0.00 0.36 0.02 0.00 0.51 0.00 0.00 43.02 43.91 2b9p s PHE 60 CO 0.00 -0.45 -0.05 0.00 0.70 0.00 0.00 175.22 175.42 2b9p s ALA 61 N 2.10 0.72 0.00 5.36 0.00 -1.13 -4.73 121.76 124.08 2b9p s ALA 61 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2b9p s ALA 61 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2b9p s ALA 61 CO -0.14 0.02 0.00 1.28 0.00 0.00 0.00 175.76 176.92 2b9p n LEU 62 N 3.92 0.00 0.00 0.00 4.32 -1.26 -4.89 117.00 119.09 2b9p n LEU 62 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.74 2b9p n LEU 62 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2b9p n LEU 62 CO 0.24 0.00 0.04 -1.54 -1.22 0.00 0.00 177.39 174.91 2b9p n SER 63 N 0.00 0.00 -1.85 -1.43 3.41 -1.26 -4.80 113.62 107.69 2b9p n SER 63 Ca 0.00 0.09 -0.05 0.00 -0.26 0.00 0.00 58.87 58.65 2b9p n SER 63 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2b9p n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b9p n ASP 64 N -0.21 -0.91 0.00 4.04 8.00 -1.26 -4.67 116.55 121.53 2b9p n ASP 64 Ca 0.00 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.72 2b9p n ASP 64 Cb 0.00 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 2b9p n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b9p n GLY 65 N -0.25 5.19 3.54 0.44 0.00 -1.13 -4.12 105.19 108.85 2b9p n GLY 65 Ca -0.03 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 2b9p n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9p s LYS 66 N 3.52 0.97 0.00 1.61 3.01 -1.26 -3.32 119.74 124.27 2b9p s LYS 66 Ca 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 55.97 55.25 2b9p s LYS 66 Cb 0.00 0.46 0.00 0.00 -1.01 0.00 0.00 37.83 37.28 2b9p s LYS 66 CO 0.00 -0.29 0.00 1.33 0.51 0.00 0.00 175.35 176.90 2b9p n VAL 67 N 1.01 0.00 -1.03 3.17 0.24 -1.24 -2.06 118.33 118.41 2b9p n VAL 67 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2b9p n VAL 67 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2b9p n VAL 67 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2b9p n VAL 68 N 0.00 0.00 0.00 3.34 0.31 -1.23 -4.14 118.33 116.61 2b9p n VAL 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b9p n VAL 68 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2b9p n VAL 68 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2b9p n PHE 69 N 0.00 0.00 0.00 3.52 3.72 -1.26 -2.84 117.46 120.60 2b9p n PHE 69 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2b9p n PHE 69 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2b9p n PHE 69 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2b9p n ILE 70 N -1.58 0.00 0.00 4.37 -0.00 -1.26 -5.06 119.36 115.83 2b9p n ILE 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2b9p n ILE 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2b9p n ILE 70 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2b9p n ASN 71 N 0.00 0.00 0.00 7.28 3.02 -1.26 -3.38 115.26 120.92 2b9p n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2b9p n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2b9p n ASN 71 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2b9p n LYS 72 N 0.00 0.00 0.00 3.52 5.02 -1.26 -4.61 118.16 120.82 2b9p n LYS 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2b9p n LYS 72 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2b9p n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b9p n GLY 73 N 0.00 0.34 0.12 0.72 0.00 -1.10 -3.70 105.19 101.58 2b9p n GLY 73 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2b9p n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b9p n LYS 74 N 0.00 0.00 -1.87 1.61 5.02 -1.26 -4.15 118.16 117.51 2b9p n LYS 74 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2b9p n LYS 74 Cb 0.00 -0.04 0.09 0.00 -0.02 0.00 0.00 35.03 35.07 2b9p n LYS 74 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2b9p s GLY 75 N -0.04 1.59 0.00 0.72 0.00 -1.26 -4.63 107.32 103.70 2b9p s GLY 75 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2b9p s GLY 75 CO 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 173.10 172.99 2b9p n ALA 76 N -3.35 0.00 -0.59 3.20 0.00 -1.15 -4.08 120.51 114.54 2b9p n ALA 76 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 2b9p n ALA 76 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 2b9p n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b9p n ARG 77 N 0.00 1.37 0.00 0.00 5.12 -1.26 -4.82 116.66 117.07 2b9p n ARG 77 Ca 0.00 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 2b9p n ARG 77 Cb 0.00 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 28.90 2b9p n ARG 77 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2b9p n PHE 78 N 5.09 0.00 0.00 -1.55 3.01 -1.23 -4.51 117.46 118.27 2b9p n PHE 78 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.80 2b9p n PHE 78 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2b9p n PHE 78 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2b9p n ILE 79 N 0.00 0.00 -0.31 4.37 5.41 -1.26 -4.63 119.36 122.94 2b9p n ILE 79 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 62.75 63.97 2b9p n ILE 79 Cb 0.00 0.00 0.41 0.00 -0.71 0.00 0.00 39.64 39.34 2b9p n ILE 79 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2b9p n SER 80 N 0.00 0.11 0.00 4.38 2.88 -1.26 -4.53 113.62 115.19 2b9p n SER 80 Ca 0.00 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 2b9p n SER 80 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2b9p n SER 80 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2b9p n ILE 81 N -5.25 0.00 0.15 2.46 -0.00 -1.26 -2.84 119.36 112.61 2b9p n ILE 81 Ca 0.29 0.00 0.18 0.00 -0.00 0.00 0.00 62.75 63.22 2b9p n ILE 81 Cb 0.96 0.00 0.65 0.00 -0.00 0.00 0.00 39.64 41.25 2b9p n ILE 81 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2b9p h GLU 82 N 0.00 0.00 -1.92 0.38 5.08 -1.97 -1.12 114.58 115.04 2b9p h GLU 82 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2b9p h GLU 82 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2b9p h GLU 82 CO 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 2b9p n ALA 83 N -2.09 5.22 -1.80 3.43 0.00 -1.26 -3.36 120.51 120.65 2b9p n ALA 83 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2b9p n ALA 83 Cb 0.71 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2b9p n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b9p n ALA 84 N 1.55 1.73 -1.23 0.00 0.00 -0.42 -4.94 120.51 117.21 2b9p n ALA 84 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2b9p n ALA 84 Cb 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2b9p n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2b9p n GLN 85 N 0.00 2.26 -2.31 0.00 6.02 -1.21 -4.94 117.38 117.19 2b9p n GLN 85 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2b9p n GLN 85 Cb 0.61 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.84 2b9p n GLN 85 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2b9p s THR 86 N 0.56 3.61 0.00 5.09 -4.23 -1.26 -5.20 115.64 114.20 2b9p s THR 86 Ca 0.00 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2b9p s THR 86 Cb 0.00 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.44 2b9p s THR 86 CO 0.00 -1.28 0.00 -1.84 -0.54 0.00 0.00 174.62 170.96