#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n GLY 7 N 0.00 0.39 3.49 -0.02 0.00 -1.26 -4.96 105.19 102.83 2qba n GLY 7 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qba n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qba s SER 8 N -2.47 -0.62 0.00 1.61 0.15 -1.26 -5.13 113.70 105.98 2qba s SER 8 Ca 0.00 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2qba s SER 8 Cb 0.00 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 2qba s SER 8 CO 0.00 -0.13 0.00 1.07 1.20 0.00 0.00 173.24 175.38 2qba n THR 9 N 4.70 0.00 -1.28 6.45 5.66 -1.26 -5.18 114.28 123.37 2qba n THR 9 Ca -0.12 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.04 2qba n THR 9 Cb 0.54 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 2qba n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qba n ARG 10 N 0.00 -2.58 0.00 1.09 3.00 -1.26 -5.07 116.66 111.84 2qba n ARG 10 Ca 0.00 1.88 0.00 0.00 -0.01 0.00 0.00 57.85 59.72 2qba n ARG 10 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 29.30 2qba n ARG 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2qba n ASN 11 N -4.30 0.00 -3.07 0.55 5.15 -1.26 -5.18 115.26 107.15 2qba n ASN 11 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2qba n ASN 11 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2qba n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qba n GLY 12 N -0.41 -1.62 0.00 8.20 0.00 -1.26 -5.11 105.19 104.98 2qba n GLY 12 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2qba n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qba n ARG 13 N -0.28 3.93 0.00 1.61 3.00 -1.26 -5.11 116.66 118.55 2qba n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qba n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qba n ARG 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qba n ASP 14 N 0.00 0.00 -2.43 6.15 2.03 -1.26 -5.00 116.55 116.04 2qba n ASP 14 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2qba n ASP 14 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2qba n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2qba n SER 15 N 0.00 -4.62 -0.02 1.67 7.64 -1.26 -5.01 113.62 112.02 2qba n SER 15 Ca 0.00 1.54 -0.00 0.00 1.01 0.00 0.00 58.87 61.42 2qba n SER 15 Cb 0.00 -5.11 -0.00 0.00 -1.01 0.00 0.00 64.21 58.09 2qba n SER 15 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qba h GLU 16 N 4.04 0.00 -5.92 1.43 4.39 -1.94 -3.49 114.58 113.08 2qba h GLU 16 Ca -0.29 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.21 2qba h GLU 16 Cb 0.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2qba h GLU 16 CO 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 179.01 177.14 2qba n ALA 17 N -2.36 -2.67 -3.14 3.43 0.00 -1.26 -4.97 120.51 109.55 2qba n ALA 17 Ca -0.01 0.46 0.01 0.00 0.00 0.00 0.00 53.44 53.90 2qba n ALA 17 Cb 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2qba n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qba n LYS 18 N -0.94 0.15 -2.69 0.00 3.00 -1.26 -4.25 118.16 112.17 2qba n LYS 18 Ca -0.04 -0.31 -0.42 0.00 -0.00 0.00 0.00 58.31 57.53 2qba n LYS 18 Cb 0.57 0.41 -0.03 0.00 0.00 0.00 0.00 35.03 35.98 2qba n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qba s ARG 19 N -2.01 4.49 0.00 1.64 3.00 -1.26 0.25 118.95 125.05 2qba s ARG 19 Ca 0.03 1.41 0.08 0.00 0.00 0.00 0.00 55.73 57.25 2qba s ARG 19 Cb -0.01 -3.50 -0.00 0.00 0.00 0.00 0.00 34.95 31.44 2qba s ARG 19 CO 0.01 -0.19 0.55 1.28 0.00 0.00 0.00 175.30 176.95 2qba n LEU 20 N 4.49 1.04 -2.90 2.53 4.77 -1.19 -4.66 117.00 121.09 2qba n LEU 20 Ca 0.07 -0.76 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 2qba n LEU 20 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qba n LEU 20 CO 0.52 0.22 -0.17 0.61 -1.33 0.00 0.00 177.39 177.24 2qba n GLY 21 N 0.81 2.47 3.69 -0.72 0.00 -1.22 -4.61 105.19 105.62 2qba n GLY 21 Ca 0.03 -1.48 -0.54 0.00 0.00 0.00 0.00 46.02 44.03 2qba n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qba n VAL 22 N 0.09 0.39 -2.08 1.61 0.24 -1.26 -4.65 118.33 112.67 2qba n VAL 22 Ca 0.16 -0.08 0.15 0.00 -2.04 0.00 0.00 64.34 62.53 2qba n VAL 22 Cb 0.75 -1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 31.63 2qba n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2qba n LYS 23 N 5.92 -2.17 -1.31 7.34 -0.00 -1.26 -4.76 118.16 121.92 2qba n LYS 23 Ca 0.26 1.43 -0.43 0.00 -0.00 0.00 0.00 58.31 59.57 2qba n LYS 23 Cb 0.18 -2.65 -0.01 0.00 -0.00 0.00 0.00 35.03 32.56 2qba n LYS 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2qba n ARG 24 N -3.58 0.00 -2.85 -1.58 -4.01 -0.91 -4.14 116.66 99.59 2qba n ARG 24 Ca 0.01 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.75 2qba n ARG 24 Cb 0.49 -0.99 0.01 0.00 -3.04 0.00 0.00 32.46 28.93 2qba n ARG 24 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2qba n PHE 25 N -0.75 -1.60 0.28 2.89 3.72 -1.26 -4.70 117.46 116.04 2qba n PHE 25 Ca 0.13 -1.27 0.14 0.00 -0.05 0.00 0.00 57.45 56.40 2qba n PHE 25 Cb 0.36 0.50 0.84 0.00 -0.94 0.00 0.00 39.48 40.25 2qba n PHE 25 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qba h GLY 26 N 1.24 0.00 -6.51 1.37 0.00 -1.93 -3.40 103.07 93.83 2qba h GLY 26 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.78 2qba h GLY 26 CO 0.25 0.00 -1.18 0.61 0.00 0.00 0.00 176.54 176.22 2qba n GLY 27 N -1.11 0.12 3.78 4.60 0.00 -1.25 -4.26 105.19 107.07 2qba n GLY 27 Ca -0.03 1.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.76 2qba n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qba s GLU 28 N -2.32 0.60 0.64 1.61 2.56 -1.26 -2.21 118.70 118.33 2qba s GLU 28 Ca 0.35 0.09 0.14 0.00 0.00 0.00 0.00 54.97 55.55 2qba s GLU 28 Cb -0.04 -1.79 0.61 0.00 2.00 0.00 0.00 34.13 34.91 2qba s GLU 28 CO 0.79 -2.52 1.29 0.77 -0.56 0.00 0.00 175.26 175.03 2qba h SER 29 N -1.73 0.00 -0.07 -1.70 0.02 -1.88 -3.34 113.55 104.85 2qba h SER 29 Ca -0.48 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.70 2qba h SER 29 Cb 1.31 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.67 2qba h SER 29 CO 0.52 0.00 0.03 0.54 -1.14 0.00 0.00 176.83 176.79 2qba s VAL 30 N -4.18 -0.07 0.00 2.27 0.11 -1.25 -3.95 120.40 113.34 2qba s VAL 30 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2qba s VAL 30 Cb 0.06 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.87 2qba s VAL 30 CO 0.21 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 172.16 2qba n LEU 31 N 4.54 0.00 0.00 2.54 4.77 -1.25 -5.05 117.00 122.55 2qba n LEU 31 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2qba n LEU 31 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2qba n LEU 31 CO -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 175.89 2qba n ALA 32 N -2.67 0.00 -0.26 -1.18 0.00 -1.24 -4.97 120.51 110.19 2qba n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 33 N 0.00 0.47 0.00 0.00 0.00 -1.26 -4.60 105.19 99.80 2qba n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qba n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qba n SER 34 N 0.00 0.00 -0.57 1.61 2.88 -1.25 -3.16 113.62 113.13 2qba n SER 34 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2qba n SER 34 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 2qba n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qba n ILE 35 N 0.00 2.18 -1.17 2.46 3.06 0.14 -2.00 119.36 124.03 2qba n ILE 35 Ca 0.00 -2.74 -0.34 0.00 -2.50 0.00 0.00 62.75 57.16 2qba n ILE 35 Cb 0.00 -0.26 -0.10 0.00 0.54 0.00 0.00 39.64 39.83 2qba n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qba n ILE 36 N -1.16 0.72 -0.33 9.51 5.41 -1.25 -3.99 119.36 128.27 2qba n ILE 36 Ca 0.21 -0.68 -0.25 0.00 1.00 0.00 0.00 62.75 63.03 2qba n ILE 36 Cb 0.76 -2.10 0.24 0.00 -0.71 0.00 0.00 39.64 37.83 2qba n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qba n VAL 37 N 7.46 0.00 -2.39 1.39 0.31 -1.26 -3.60 118.33 120.24 2qba n VAL 37 Ca 0.46 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.61 2qba n VAL 37 Cb 0.44 -0.80 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 2qba n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qba n ARG 38 N -4.32 -1.87 -4.36 5.55 5.12 -1.26 -4.94 116.66 110.57 2qba n ARG 38 Ca 0.11 0.87 -0.19 0.00 -1.93 0.00 0.00 57.85 56.71 2qba n ARG 38 Cb 0.49 -5.51 -0.10 0.00 -1.16 0.00 0.00 32.46 26.19 2qba n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2qba s GLN 39 N -5.00 1.56 0.00 5.56 0.74 -1.24 -5.01 119.66 116.27 2qba s GLN 39 Ca 0.00 -1.87 0.00 0.00 0.05 0.00 0.00 55.36 53.54 2qba s GLN 39 Cb 0.00 -0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.76 2qba s GLN 39 CO 0.00 -0.34 0.00 -2.13 -0.55 0.00 0.00 175.29 172.27 2qba n ARG 40 N -0.58 0.00 -0.01 1.67 0.63 -1.26 -4.72 116.66 112.39 2qba n ARG 40 Ca -0.01 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.00 2qba n ARG 40 Cb 0.66 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.42 2qba n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qba n GLY 41 N -1.15 -1.05 0.30 5.14 0.00 -1.26 -3.19 105.19 103.99 2qba n GLY 41 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2qba n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qba h THR 42 N 0.00 1.15 -1.19 2.61 2.02 -1.95 -3.15 112.91 112.40 2qba h THR 42 Ca -0.08 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 2qba h THR 42 Cb 1.19 0.57 -0.23 0.00 -1.74 0.00 0.00 68.15 67.94 2qba h THR 42 CO 0.01 0.17 -0.44 -0.54 0.37 0.00 0.00 175.52 175.08 2qba s LYS 43 N -5.39 0.60 0.16 6.66 -0.14 -1.26 -4.61 119.74 115.76 2qba s LYS 43 Ca -0.09 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 2qba s LYS 43 Cb 0.17 0.05 -0.07 0.00 -1.68 0.00 0.00 37.83 36.30 2qba s LYS 43 CO 0.75 -1.09 0.98 -0.06 -0.76 0.00 0.00 175.35 175.17 2qba s PHE 44 N 2.47 3.83 -0.02 3.18 0.08 -1.19 -4.64 117.98 121.69 2qba s PHE 44 Ca 0.12 1.81 -0.30 0.00 0.12 0.00 0.00 56.93 58.68 2qba s PHE 44 Cb -0.09 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.23 2qba s PHE 44 CO -0.21 0.16 1.69 -3.38 -0.10 0.00 0.00 175.22 173.38 2qba s HIS 45 N -0.43 1.98 0.22 0.36 -3.43 -1.26 0.74 115.29 113.47 2qba s HIS 45 Ca 0.45 0.15 -0.16 0.00 -0.80 0.00 0.00 55.06 54.70 2qba s HIS 45 Cb -0.25 -3.96 0.01 0.00 -1.43 0.00 0.00 32.58 26.95 2qba s HIS 45 CO 0.31 -4.04 0.51 0.00 -2.00 0.00 0.00 174.74 169.53 2qba s ALA 46 N 3.81 -0.67 0.00 -1.38 0.00 0.55 -4.83 121.76 119.24 2qba s ALA 46 Ca 0.75 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2qba s ALA 46 Cb -0.35 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2qba s ALA 46 CO 0.31 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2qba n GLY 47 N -0.36 0.05 0.37 0.00 0.00 -1.26 -3.30 105.19 100.70 2qba n GLY 47 Ca -0.06 -0.93 0.20 0.00 0.00 0.00 0.00 46.02 45.22 2qba n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba h ALA 48 N -0.93 1.95 -2.19 4.61 0.00 -1.92 -3.40 119.26 117.38 2qba h ALA 48 Ca 0.00 0.11 -0.46 0.00 0.00 0.00 0.00 54.91 54.55 2qba h ALA 48 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qba h ALA 48 CO 0.00 -0.41 0.26 0.54 0.00 0.00 0.00 179.25 179.64 2qba s ASN 49 N -5.20 6.93 0.00 0.00 4.22 -1.21 -3.72 114.94 115.96 2qba s ASN 49 Ca -0.10 1.57 0.00 0.00 -2.14 0.00 0.00 52.86 52.19 2qba s ASN 49 Cb 0.27 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 40.31 2qba s ASN 49 CO 0.80 -0.27 0.00 1.33 -2.04 0.00 0.00 177.10 176.92 2qba n VAL 50 N -0.39 0.00 0.00 3.54 0.24 -1.26 -3.26 118.33 117.20 2qba n VAL 50 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2qba n VAL 50 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2qba n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qba n GLY 51 N 0.00 0.21 3.56 7.63 0.00 -1.26 -1.34 105.19 113.98 2qba n GLY 51 Ca 0.00 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2qba n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n GLY 53 N -1.59 -2.78 0.28 0.00 0.00 -0.82 -4.52 105.19 95.76 2qba n GLY 53 Ca -0.09 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.36 2qba n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba n ARG 54 N -0.24 -0.14 -1.28 1.61 1.74 -1.26 0.39 116.66 117.48 2qba n ARG 54 Ca 0.00 1.14 -0.21 0.00 -0.77 0.00 0.00 57.85 58.01 2qba n ARG 54 Cb 0.65 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 2qba n ARG 54 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2qba n ASP 55 N -5.12 6.05 -3.44 0.55 5.75 -1.26 -4.82 116.55 114.27 2qba n ASP 55 Ca 0.09 -2.84 -0.16 0.00 -0.01 0.00 0.00 54.79 51.87 2qba n ASP 55 Cb 0.31 -1.34 -0.04 0.00 -1.03 0.00 0.00 41.12 39.03 2qba n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qba n HIS 56 N 1.77 -0.59 -3.72 2.11 8.25 0.16 -4.26 115.22 118.94 2qba n HIS 56 Ca 0.48 0.24 -0.37 0.00 -0.26 0.00 0.00 57.72 57.80 2qba n HIS 56 Cb 0.70 -1.30 -0.12 0.00 1.12 0.00 0.00 29.99 30.39 2qba n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2qba s THR 57 N -3.76 4.38 -0.82 1.59 2.01 -1.21 -4.02 115.64 113.81 2qba s THR 57 Ca 0.04 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 2qba s THR 57 Cb -0.02 -3.15 -0.17 0.00 0.01 0.00 0.00 72.50 69.17 2qba s THR 57 CO 0.46 0.20 2.38 0.18 -0.69 0.00 0.00 174.62 177.15 2qba n LEU 58 N 4.94 1.27 -0.03 4.42 7.99 -0.85 -1.95 117.00 132.79 2qba n LEU 58 Ca -0.15 -1.30 -0.01 0.00 -0.01 0.00 0.00 56.01 54.54 2qba n LEU 58 Cb 0.50 -1.47 -0.01 0.00 -0.11 0.00 0.00 43.42 42.33 2qba n LEU 58 CO 0.32 -2.41 0.50 0.15 -1.51 0.00 0.00 177.39 174.44 2qba h PHE 59 N 12.60 -0.16 -2.06 -1.77 3.57 -1.47 -3.39 116.94 124.26 2qba h PHE 59 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qba h PHE 59 Cb 1.03 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2qba h PHE 59 CO 1.19 -0.04 0.00 0.00 -2.23 0.00 0.00 178.31 177.24 2qba n ALA 60 N -2.92 -2.07 -1.00 2.41 0.00 -1.23 -3.68 120.51 112.01 2qba n ALA 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 60 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2qba n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qba n LYS 61 N 0.32 3.58 -0.95 0.00 4.01 -1.24 -3.82 118.16 120.05 2qba n LYS 61 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2qba n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2qba n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qba n ALA 62 N -3.00 -2.64 -0.92 7.82 0.00 -1.25 -4.08 120.51 116.44 2qba n ALA 62 Ca 0.00 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2qba n ALA 62 Cb 0.00 -1.08 0.10 0.00 0.00 0.00 0.00 19.45 18.47 2qba n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qba n ASP 63 N 1.84 -2.52 0.00 0.00 8.00 -1.26 -4.81 116.55 117.80 2qba n ASP 63 Ca 0.07 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.93 2qba n ASP 63 Cb 0.33 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2qba n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qba n GLY 64 N 1.83 -0.56 2.80 0.44 0.00 -0.94 -4.85 105.19 103.91 2qba n GLY 64 Ca 0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 2qba n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s LYS 65 N -1.76 0.22 0.63 1.61 1.02 -0.17 -3.78 119.74 117.51 2qba s LYS 65 Ca 0.00 0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.92 2qba s LYS 65 Cb 0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.85 2qba s LYS 65 CO 0.00 -0.15 1.13 0.28 -0.92 0.00 0.00 175.35 175.69 2qba n VAL 66 N 4.17 4.39 0.03 3.17 0.31 -1.26 -1.87 118.33 127.27 2qba n VAL 66 Ca -0.27 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.55 2qba n VAL 66 Cb 0.50 -1.32 -0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2qba n VAL 66 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qba n LYS 67 N -1.50 0.04 -2.13 5.55 3.00 0.14 -2.14 118.16 121.12 2qba n LYS 67 Ca 0.15 0.02 -0.03 0.00 -0.00 0.00 0.00 58.31 58.45 2qba n LYS 67 Cb 0.48 -0.57 -0.02 0.00 0.00 0.00 0.00 35.03 34.92 2qba n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qba n PHE 68 N -3.47 -2.48 -0.24 5.64 3.72 -1.26 -4.83 117.46 114.53 2qba n PHE 68 Ca -0.02 1.37 0.00 0.00 -0.05 0.00 0.00 57.45 58.75 2qba n PHE 68 Cb 0.14 -2.89 0.00 0.00 -0.94 0.00 0.00 39.48 35.79 2qba n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qba n GLU 69 N 0.82 3.17 0.00 -1.08 1.02 0.59 -5.00 120.64 120.17 2qba n GLU 69 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2qba n GLU 69 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 2qba n GLU 69 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qba n VAL 70 N 0.00 0.00 -1.24 2.62 3.14 -0.68 -4.65 118.33 117.52 2qba n VAL 70 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 2qba n VAL 70 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 2qba n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2qba n LYS 71 N 0.00 0.04 0.00 1.45 4.01 -1.26 -4.46 118.16 117.94 2qba n LYS 71 Ca 0.00 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2qba n LYS 71 Cb 0.00 -1.07 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 2qba n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qba n GLY 72 N 2.52 1.69 3.14 0.72 0.00 -1.26 -4.82 105.19 107.19 2qba n GLY 72 Ca 0.07 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 2qba n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qba n PRO 73 N 2.89 -0.61 -3.45 1.61 -0.02 -1.26 -3.22 135.00 130.95 2qba n PRO 73 Ca 0.00 -0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.06 2qba n PRO 73 Cb 0.00 -1.34 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 2qba n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qba n LYS 74 N 0.43 -4.41 0.00 -0.52 4.76 -1.26 -4.35 118.16 112.81 2qba n LYS 74 Ca -0.00 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2qba n LYS 74 Cb 0.66 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.43 2qba n LYS 74 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qba n ASN 75 N -2.51 0.00 -2.10 4.39 4.05 -1.20 -4.90 115.26 113.00 2qba n ASN 75 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2qba n ASN 75 Cb 0.56 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.57 2qba n ASN 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qba n ARG 76 N 0.00 -4.36 -0.02 1.20 5.12 -1.26 -4.42 116.66 112.91 2qba n ARG 76 Ca 0.00 3.24 -0.03 0.00 -1.93 0.00 0.00 57.85 59.14 2qba n ARG 76 Cb 0.00 -3.98 -0.02 0.00 -1.16 0.00 0.00 32.46 27.30 2qba n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2qba h LYS 77 N 3.55 -0.07 -3.06 5.56 1.63 -1.80 -3.39 116.57 118.99 2qba h LYS 77 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2qba h LYS 77 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2qba h LYS 77 CO 0.00 -0.05 -0.61 1.19 -3.45 0.00 0.00 179.45 176.53 2qba n PHE 78 N -3.18 -3.18 -4.38 1.91 3.72 -1.25 -1.68 117.46 109.41 2qba n PHE 78 Ca -0.01 1.88 -0.28 0.00 -0.05 0.00 0.00 57.45 58.99 2qba n PHE 78 Cb 0.06 -3.06 -0.13 0.00 -0.94 0.00 0.00 39.48 35.41 2qba n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qba s ILE 79 N -0.53 2.21 0.17 4.37 1.01 0.23 -0.30 121.20 128.36 2qba s ILE 79 Ca 0.00 -1.75 -0.20 0.00 0.00 0.00 0.00 60.65 58.70 2qba s ILE 79 Cb 0.00 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.56 2qba s ILE 79 CO 0.00 0.07 0.55 -0.94 0.00 0.00 0.00 174.94 174.62 2qba s SER 80 N -2.07 -0.41 -0.29 3.58 1.04 -1.23 -0.33 113.70 114.00 2qba s SER 80 Ca 0.13 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.35 2qba s SER 80 Cb -0.10 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.69 2qba s SER 80 CO 0.06 -0.99 0.06 0.27 0.98 0.00 0.00 173.24 173.62 2qba s ILE 81 N -3.80 1.09 0.00 -1.02 -4.36 -1.26 0.26 121.20 112.11 2qba s ILE 81 Ca 0.04 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 2qba s ILE 81 Cb -0.01 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.99 2qba s ILE 81 CO -0.09 -0.51 0.00 -1.84 0.24 0.00 0.00 174.94 172.74 2qba n GLU 82 N 4.78 1.60 -4.15 0.37 0.28 -0.78 -4.07 120.64 118.66 2qba n GLU 82 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.86 2qba n GLU 82 Cb 0.43 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.20 2qba n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qba s ALA 83 N -3.87 0.87 -2.51 -1.84 0.00 -1.26 -1.00 121.76 112.15 2qba s ALA 83 Ca 0.00 -1.42 0.20 0.00 0.00 0.00 0.00 51.96 50.74 2qba s ALA 83 Cb 0.00 0.60 0.16 0.00 0.00 0.00 0.00 23.12 23.88 2qba s ALA 83 CO 0.00 -0.41 1.14 -0.85 0.00 0.00 0.00 175.76 175.64