#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n GLY 7 N 0.00 0.26 3.45 -0.02 0.00 -1.26 -4.96 105.19 102.66 2qbc n GLY 7 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.82 2qbc n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbc s SER 8 N -2.42 -0.56 0.00 1.61 0.15 -1.26 -5.13 113.70 106.08 2qbc s SER 8 Ca 0.00 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2qbc s SER 8 Cb 0.00 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 2qbc s SER 8 CO 0.00 -0.11 0.00 1.07 1.20 0.00 0.00 173.24 175.40 2qbc n THR 9 N 4.72 0.00 -1.24 6.45 5.66 -1.26 -5.18 114.28 123.43 2qbc n THR 9 Ca -0.11 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.04 2qbc n THR 9 Cb 0.53 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 2qbc n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qbc n ARG 10 N 0.00 -2.46 0.00 1.09 3.00 -1.26 -5.06 116.66 111.96 2qbc n ARG 10 Ca 0.00 1.80 0.00 0.00 -0.01 0.00 0.00 57.85 59.64 2qbc n ARG 10 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 32.46 29.42 2qbc n ARG 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2qbc n ASN 11 N -4.29 0.00 -3.14 0.55 5.15 -1.26 -5.18 115.26 107.09 2qbc n ASN 11 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2qbc n ASN 11 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 2qbc n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qbc n GLY 12 N -0.39 -1.74 0.00 8.20 0.00 -1.26 -5.11 105.19 104.89 2qbc n GLY 12 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2qbc n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbc n ARG 13 N -0.26 3.96 0.00 1.61 3.00 -1.26 -5.11 116.66 118.60 2qbc n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qbc n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qbc n ARG 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qbc n ASP 14 N 0.00 0.00 -2.43 6.15 2.03 -1.26 -5.00 116.55 116.04 2qbc n ASP 14 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2qbc n ASP 14 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2qbc n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2qbc n SER 15 N 0.00 -5.26 -0.02 1.67 7.64 -1.26 -5.01 113.62 111.39 2qbc n SER 15 Ca 0.00 1.59 -0.01 0.00 1.01 0.00 0.00 58.87 61.47 2qbc n SER 15 Cb 0.00 -5.14 -0.00 0.00 -1.01 0.00 0.00 64.21 58.06 2qbc n SER 15 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qbc h GLU 16 N 4.08 0.00 -5.93 1.43 4.39 -1.95 -3.49 114.58 113.12 2qbc h GLU 16 Ca -0.26 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.24 2qbc h GLU 16 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2qbc h GLU 16 CO 0.00 0.00 -0.77 0.00 -1.16 0.00 0.00 179.01 177.08 2qbc n ALA 17 N -2.41 -2.67 -3.22 3.43 0.00 -1.26 -4.97 120.51 109.43 2qbc n ALA 17 Ca -0.01 0.57 0.01 0.00 0.00 0.00 0.00 53.44 54.02 2qbc n ALA 17 Cb 0.03 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 16.87 2qbc n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbc n LYS 18 N -0.69 0.20 -2.63 0.00 3.00 -1.26 -4.26 118.16 112.52 2qbc n LYS 18 Ca -0.02 -0.44 -0.42 0.00 -0.00 0.00 0.00 58.31 57.43 2qbc n LYS 18 Cb 0.57 0.57 -0.03 0.00 0.00 0.00 0.00 35.03 36.15 2qbc n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbc s ARG 19 N -2.02 4.46 0.00 1.64 3.00 -1.26 0.13 118.95 124.91 2qbc s ARG 19 Ca 0.05 1.49 0.08 0.00 0.00 0.00 0.00 55.73 57.35 2qbc s ARG 19 Cb -0.01 -3.49 -0.03 0.00 0.00 0.00 0.00 34.95 31.42 2qbc s ARG 19 CO 0.02 -0.23 0.47 1.28 0.00 0.00 0.00 175.30 176.84 2qbc n LEU 20 N 4.50 0.81 -2.93 2.53 4.77 -1.18 -4.66 117.00 120.82 2qbc n LEU 20 Ca 0.08 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 55.25 2qbc n LEU 20 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2qbc n LEU 20 CO 0.53 0.17 -0.16 0.61 -1.33 0.00 0.00 177.39 177.21 2qbc n GLY 21 N 0.95 2.76 3.69 -0.72 0.00 -1.22 -4.63 105.19 106.02 2qbc n GLY 21 Ca 0.03 -1.56 -0.54 0.00 0.00 0.00 0.00 46.02 43.95 2qbc n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbc n VAL 22 N 0.10 0.36 -1.82 1.61 0.24 -1.26 -4.66 118.33 112.90 2qbc n VAL 22 Ca 0.18 -0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.56 2qbc n VAL 22 Cb 0.73 -1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 31.67 2qbc n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2qbc n LYS 23 N 5.52 -2.09 -1.26 7.34 -0.00 -1.26 -4.75 118.16 121.66 2qbc n LYS 23 Ca 0.25 1.38 -0.41 0.00 -0.00 0.00 0.00 58.31 59.52 2qbc n LYS 23 Cb 0.18 -2.55 -0.01 0.00 -0.00 0.00 0.00 35.03 32.65 2qbc n LYS 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2qbc n ARG 24 N -3.41 0.00 -3.13 -1.58 -4.01 -0.94 -4.16 116.66 99.44 2qbc n ARG 24 Ca 0.01 0.00 -0.08 0.00 -1.04 0.00 0.00 57.85 56.74 2qbc n ARG 24 Cb 0.47 -0.95 0.01 0.00 -3.04 0.00 0.00 32.46 28.96 2qbc n ARG 24 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2qbc n PHE 25 N -0.69 -1.78 0.28 2.89 3.72 -1.26 -4.70 117.46 115.93 2qbc n PHE 25 Ca 0.12 -1.48 0.13 0.00 -0.05 0.00 0.00 57.45 56.18 2qbc n PHE 25 Cb 0.34 0.60 0.83 0.00 -0.94 0.00 0.00 39.48 40.31 2qbc n PHE 25 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qbc h GLY 26 N 1.46 0.00 -6.50 1.37 0.00 -1.93 -3.39 103.07 94.07 2qbc h GLY 26 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.73 2qbc h GLY 26 CO 0.30 0.00 -1.18 0.61 0.00 0.00 0.00 176.54 176.27 2qbc n GLY 27 N -1.32 0.11 3.74 4.60 0.00 -1.25 -4.24 105.19 106.83 2qbc n GLY 27 Ca -0.03 1.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.86 2qbc n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbc s GLU 28 N -2.44 0.32 0.64 1.61 2.56 -1.26 -2.24 118.70 117.90 2qbc s GLU 28 Ca 0.38 0.11 0.13 0.00 0.00 0.00 0.00 54.97 55.59 2qbc s GLU 28 Cb -0.04 -1.76 0.61 0.00 2.00 0.00 0.00 34.13 34.94 2qbc s GLU 28 CO 0.86 -2.72 1.30 0.77 -0.56 0.00 0.00 175.26 174.91 2qbc h SER 29 N -1.87 0.00 -0.07 -1.70 0.02 -1.88 -3.34 113.55 104.71 2qbc h SER 29 Ca -0.49 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.69 2qbc h SER 29 Cb 1.31 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.67 2qbc h SER 29 CO 0.50 0.00 0.03 0.54 -1.14 0.00 0.00 176.83 176.77 2qbc s VAL 30 N -4.15 -0.07 0.00 2.27 0.11 -1.25 -3.94 120.40 113.37 2qbc s VAL 30 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2qbc s VAL 30 Cb 0.06 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.86 2qbc s VAL 30 CO 0.19 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 172.14 2qbc n LEU 31 N 4.51 0.00 0.00 2.54 4.77 -1.25 -5.05 117.00 122.51 2qbc n LEU 31 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2qbc n LEU 31 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2qbc n LEU 31 CO -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 175.89 2qbc n ALA 32 N -2.60 0.00 -0.24 -1.18 0.00 -1.24 -4.97 120.51 110.28 2qbc n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbc n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 33 N 0.00 0.42 0.00 0.00 0.00 -1.26 -4.59 105.19 99.75 2qbc n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbc n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbc n SER 34 N 0.00 0.00 -0.48 1.61 2.88 -1.25 -3.12 113.62 113.26 2qbc n SER 34 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2qbc n SER 34 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 2qbc n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbc n ILE 35 N 0.00 2.13 -1.06 2.46 3.06 0.12 -2.11 119.36 123.96 2qbc n ILE 35 Ca 0.00 -2.75 -0.36 0.00 -2.50 0.00 0.00 62.75 57.15 2qbc n ILE 35 Cb 0.00 -0.25 -0.10 0.00 0.54 0.00 0.00 39.64 39.83 2qbc n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbc n ILE 36 N -1.20 0.59 -0.33 9.51 5.41 -1.25 -4.00 119.36 128.08 2qbc n ILE 36 Ca 0.20 -0.55 -0.24 0.00 1.00 0.00 0.00 62.75 63.15 2qbc n ILE 36 Cb 0.72 -2.08 0.23 0.00 -0.71 0.00 0.00 39.64 37.80 2qbc n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbc n VAL 37 N 7.39 0.00 -2.45 1.39 0.31 -1.26 -3.61 118.33 120.11 2qbc n VAL 37 Ca 0.46 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.61 2qbc n VAL 37 Cb 0.43 -0.78 -0.01 0.00 -0.91 0.00 0.00 33.84 32.57 2qbc n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbc n ARG 38 N -3.97 -1.99 -4.35 5.55 5.12 -1.26 -4.95 116.66 110.81 2qbc n ARG 38 Ca 0.11 0.87 -0.18 0.00 -1.93 0.00 0.00 57.85 56.71 2qbc n ARG 38 Cb 0.48 -5.52 -0.10 0.00 -1.16 0.00 0.00 32.46 26.16 2qbc n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2qbc s GLN 39 N -5.08 1.53 0.00 5.56 0.74 -1.24 -5.01 119.66 116.17 2qbc s GLN 39 Ca 0.01 -1.86 0.00 0.00 0.05 0.00 0.00 55.36 53.57 2qbc s GLN 39 Cb -0.01 -0.27 0.00 0.00 1.10 0.00 0.00 33.01 33.84 2qbc s GLN 39 CO 0.02 -0.36 0.00 -2.13 -0.55 0.00 0.00 175.29 172.27 2qbc n ARG 40 N -0.55 0.00 -0.02 1.67 0.63 -1.26 -4.72 116.66 112.40 2qbc n ARG 40 Ca -0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 2qbc n ARG 40 Cb 0.66 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.40 2qbc n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbc n GLY 41 N -1.01 -1.01 0.30 5.14 0.00 -1.26 -3.21 105.19 104.14 2qbc n GLY 41 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.55 2qbc n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbc h THR 42 N 0.00 1.15 -1.18 2.61 2.02 -1.95 -3.15 112.91 112.41 2qbc h THR 42 Ca -0.09 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 2qbc h THR 42 Cb 1.20 0.61 -0.22 0.00 -1.74 0.00 0.00 68.15 67.99 2qbc h THR 42 CO 0.00 0.18 -0.44 -0.54 0.37 0.00 0.00 175.52 175.09 2qbc s LYS 43 N -5.34 0.60 0.17 6.66 -0.14 -1.26 -4.61 119.74 115.81 2qbc s LYS 43 Ca -0.08 0.19 -0.30 0.00 -1.36 0.00 0.00 55.97 54.42 2qbc s LYS 43 Cb 0.17 0.06 -0.07 0.00 -1.68 0.00 0.00 37.83 36.30 2qbc s LYS 43 CO 0.75 -1.09 0.98 -0.06 -0.76 0.00 0.00 175.35 175.17 2qbc s PHE 44 N 2.46 3.82 -0.00 3.18 0.08 -1.20 -4.64 117.98 121.68 2qbc s PHE 44 Ca 0.12 1.80 -0.30 0.00 0.12 0.00 0.00 56.93 58.67 2qbc s PHE 44 Cb -0.09 -3.08 -0.07 0.00 -0.57 0.00 0.00 43.02 39.21 2qbc s PHE 44 CO -0.21 0.12 1.68 -3.38 -0.10 0.00 0.00 175.22 173.34 2qbc s HIS 45 N -0.43 2.07 0.22 0.36 -3.43 -1.26 0.81 115.29 113.63 2qbc s HIS 45 Ca 0.45 0.18 -0.17 0.00 -0.80 0.00 0.00 55.06 54.73 2qbc s HIS 45 Cb -0.25 -3.96 0.02 0.00 -1.43 0.00 0.00 32.58 26.95 2qbc s HIS 45 CO 0.32 -4.01 0.54 0.00 -2.00 0.00 0.00 174.74 169.59 2qbc s ALA 46 N 3.56 -0.80 0.00 -1.38 0.00 0.52 -4.83 121.76 118.84 2qbc s ALA 46 Ca 0.75 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2qbc s ALA 46 Cb -0.36 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2qbc s ALA 46 CO 0.32 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2qbc n GLY 47 N -0.37 0.02 0.35 0.00 0.00 -1.26 -3.31 105.19 100.63 2qbc n GLY 47 Ca -0.07 -0.93 0.19 0.00 0.00 0.00 0.00 46.02 45.21 2qbc n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc h ALA 48 N -0.94 1.87 -2.12 4.61 0.00 -1.92 -3.40 119.26 117.36 2qbc h ALA 48 Ca 0.00 0.12 -0.45 0.00 0.00 0.00 0.00 54.91 54.58 2qbc h ALA 48 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qbc h ALA 48 CO 0.00 -0.35 0.29 0.54 0.00 0.00 0.00 179.25 179.73 2qbc s ASN 49 N -5.17 6.92 0.00 0.00 4.22 -1.21 -3.73 114.94 115.98 2qbc s ASN 49 Ca -0.10 1.61 0.00 0.00 -2.14 0.00 0.00 52.86 52.23 2qbc s ASN 49 Cb 0.27 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.30 2qbc s ASN 49 CO 0.80 -0.32 0.00 1.33 -2.04 0.00 0.00 177.10 176.87 2qbc n VAL 50 N -0.54 0.00 0.00 3.54 0.24 -1.26 -3.28 118.33 117.02 2qbc n VAL 50 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2qbc n VAL 50 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2qbc n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbc n GLY 51 N 0.00 0.29 3.54 7.63 0.00 -1.26 -1.27 105.19 114.13 2qbc n GLY 51 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 2qbc n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc n GLY 53 N -1.59 -2.78 0.28 0.00 0.00 -0.79 -4.51 105.19 95.79 2qbc n GLY 53 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2qbc n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc n ARG 54 N -0.22 -0.13 -1.29 1.61 1.74 -1.26 0.41 116.66 117.52 2qbc n ARG 54 Ca 0.00 1.17 -0.21 0.00 -0.77 0.00 0.00 57.85 58.04 2qbc n ARG 54 Cb 0.65 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 2qbc n ARG 54 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2qbc n ASP 55 N -5.16 6.01 -3.50 0.55 5.75 -1.26 -4.82 116.55 114.12 2qbc n ASP 55 Ca 0.10 -2.89 -0.17 0.00 -0.01 0.00 0.00 54.79 51.82 2qbc n ASP 55 Cb 0.33 -1.32 -0.04 0.00 -1.03 0.00 0.00 41.12 39.06 2qbc n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qbc n HIS 56 N 1.63 -0.65 -3.70 2.11 8.25 0.17 -4.26 115.22 118.76 2qbc n HIS 56 Ca 0.47 0.27 -0.38 0.00 -0.26 0.00 0.00 57.72 57.83 2qbc n HIS 56 Cb 0.70 -1.43 -0.12 0.00 1.12 0.00 0.00 29.99 30.26 2qbc n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2qbc s THR 57 N -3.78 4.46 -0.82 1.59 2.01 -1.22 -4.03 115.64 113.85 2qbc s THR 57 Ca 0.03 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 2qbc s THR 57 Cb -0.02 -3.20 -0.17 0.00 0.01 0.00 0.00 72.50 69.12 2qbc s THR 57 CO 0.51 0.18 2.38 0.18 -0.69 0.00 0.00 174.62 177.18 2qbc n LEU 58 N 4.95 1.29 -0.02 4.42 7.99 -0.90 -1.89 117.00 132.84 2qbc n LEU 58 Ca -0.15 -1.34 -0.01 0.00 -0.01 0.00 0.00 56.01 54.50 2qbc n LEU 58 Cb 0.50 -1.49 -0.01 0.00 -0.11 0.00 0.00 43.42 42.32 2qbc n LEU 58 CO 0.32 -2.45 0.50 0.15 -1.51 0.00 0.00 177.39 174.40 2qbc h PHE 59 N 12.46 -0.12 -2.00 -1.77 3.57 -1.44 -3.39 116.94 124.25 2qbc h PHE 59 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qbc h PHE 59 Cb 1.02 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2qbc h PHE 59 CO 1.20 -0.03 0.00 0.00 -2.23 0.00 0.00 178.31 177.25 2qbc n ALA 60 N -2.94 -2.00 -1.00 2.41 0.00 -1.23 -3.67 120.51 112.09 2qbc n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 60 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2qbc n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbc n LYS 61 N 0.30 3.41 -0.96 0.00 4.01 -1.24 -3.80 118.16 119.87 2qbc n LYS 61 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2qbc n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2qbc n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qbc n ALA 62 N -3.00 -2.65 -0.87 7.82 0.00 -1.25 -4.09 120.51 116.46 2qbc n ALA 62 Ca 0.00 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2qbc n ALA 62 Cb 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 18.46 2qbc n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qbc n ASP 63 N 1.85 -2.94 0.00 0.00 8.00 -1.26 -4.82 116.55 117.39 2qbc n ASP 63 Ca 0.07 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2qbc n ASP 63 Cb 0.34 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2qbc n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qbc n GLY 64 N 1.96 -0.53 2.81 0.44 0.00 -0.95 -4.85 105.19 104.07 2qbc n GLY 64 Ca 0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 2qbc n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc s LYS 65 N -1.85 0.29 0.63 1.61 1.02 -0.19 -3.82 119.74 117.45 2qbc s LYS 65 Ca 0.00 0.08 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 2qbc s LYS 65 Cb 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 36.80 2qbc s LYS 65 CO 0.00 -0.14 1.10 0.28 -0.92 0.00 0.00 175.35 175.66 2qbc n VAL 66 N 4.18 4.22 0.03 3.17 0.31 -1.26 -1.86 118.33 127.12 2qbc n VAL 66 Ca -0.26 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.57 2qbc n VAL 66 Cb 0.50 -1.28 -0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2qbc n VAL 66 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qbc n LYS 67 N -1.48 0.04 -2.13 5.55 3.00 0.14 -2.21 118.16 121.08 2qbc n LYS 67 Ca 0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.45 2qbc n LYS 67 Cb 0.48 -0.58 -0.02 0.00 0.00 0.00 0.00 35.03 34.91 2qbc n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbc n PHE 68 N -3.53 -2.42 0.00 5.64 3.72 -1.26 -4.83 117.46 114.78 2qbc n PHE 68 Ca -0.02 1.31 0.00 0.00 -0.05 0.00 0.00 57.45 58.69 2qbc n PHE 68 Cb 0.10 -2.88 0.00 0.00 -0.94 0.00 0.00 39.48 35.76 2qbc n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qbc n GLU 69 N 0.76 2.94 0.00 -1.08 1.02 0.34 -5.00 120.64 119.62 2qbc n GLU 69 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2qbc n GLU 69 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2qbc n GLU 69 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qbc n VAL 70 N 0.00 0.00 -1.33 2.62 3.14 -0.70 -4.67 118.33 117.40 2qbc n VAL 70 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 2qbc n VAL 70 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 2qbc n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2qbc n LYS 71 N 0.00 0.18 0.00 1.45 4.01 -1.26 -4.48 118.16 118.05 2qbc n LYS 71 Ca 0.00 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2qbc n LYS 71 Cb 0.00 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 2qbc n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbc n GLY 72 N 2.25 1.92 3.14 0.72 0.00 -1.26 -4.83 105.19 107.13 2qbc n GLY 72 Ca 0.09 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 2qbc n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbc n PRO 73 N 2.70 -0.60 -3.62 1.61 -0.02 -1.26 -3.23 135.00 130.58 2qbc n PRO 73 Ca 0.00 -0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.04 2qbc n PRO 73 Cb 0.00 -1.33 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 2qbc n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qbc n LYS 74 N 0.45 -4.58 0.00 -0.52 4.76 -1.26 -4.34 118.16 112.67 2qbc n LYS 74 Ca -0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 2qbc n LYS 74 Cb 0.66 -5.40 0.00 0.00 -1.84 0.00 0.00 35.03 28.45 2qbc n LYS 74 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qbc n ASN 75 N -2.59 0.00 -2.13 4.39 4.05 -1.20 -4.90 115.26 112.88 2qbc n ASN 75 Ca 0.01 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.03 2qbc n ASN 75 Cb 0.54 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.55 2qbc n ASN 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qbc n ARG 76 N 0.00 -4.23 -0.03 1.20 5.12 -1.26 -4.41 116.66 113.05 2qbc n ARG 76 Ca 0.00 3.17 -0.03 0.00 -1.93 0.00 0.00 57.85 59.06 2qbc n ARG 76 Cb 0.00 -4.01 -0.02 0.00 -1.16 0.00 0.00 32.46 27.27 2qbc n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2qbc h LYS 77 N 3.48 -0.07 -2.92 5.56 1.63 -1.80 -3.39 116.57 119.07 2qbc h LYS 77 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2qbc h LYS 77 Cb 0.11 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2qbc h LYS 77 CO 0.00 -0.04 -0.60 1.19 -3.45 0.00 0.00 179.45 176.55 2qbc n PHE 78 N -3.24 -3.08 -4.36 1.91 3.72 -1.25 -1.72 117.46 109.45 2qbc n PHE 78 Ca -0.01 1.78 -0.27 0.00 -0.05 0.00 0.00 57.45 58.90 2qbc n PHE 78 Cb 0.06 -3.00 -0.13 0.00 -0.94 0.00 0.00 39.48 35.47 2qbc n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qbc s ILE 79 N -0.73 2.08 0.18 4.37 1.01 0.24 -0.50 121.20 127.84 2qbc s ILE 79 Ca 0.00 -1.70 -0.21 0.00 0.00 0.00 0.00 60.65 58.74 2qbc s ILE 79 Cb 0.00 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2qbc s ILE 79 CO 0.00 0.02 0.57 -0.94 0.00 0.00 0.00 174.94 174.60 2qbc s SER 80 N -2.05 -0.41 -0.28 3.58 1.04 -1.23 -0.35 113.70 114.00 2qbc s SER 80 Ca 0.12 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 2qbc s SER 80 Cb -0.10 0.60 0.09 0.00 0.10 0.00 0.00 66.02 66.70 2qbc s SER 80 CO 0.06 -1.03 0.06 0.27 0.98 0.00 0.00 173.24 173.58 2qbc s ILE 81 N -3.81 1.03 0.00 -1.02 -4.36 -1.26 0.24 121.20 112.02 2qbc s ILE 81 Ca 0.05 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2qbc s ILE 81 Cb -0.01 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 42.05 2qbc s ILE 81 CO -0.08 -0.49 0.00 -1.84 0.24 0.00 0.00 174.94 172.78 2qbc n GLU 82 N 4.81 1.58 -4.14 0.37 0.28 -0.78 -4.07 120.64 118.70 2qbc n GLU 82 Ca -0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.86 2qbc n GLU 82 Cb 0.43 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.20 2qbc n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qbc s ALA 83 N -3.90 0.80 -2.68 -1.84 0.00 -1.26 -1.02 121.76 111.85 2qbc s ALA 83 Ca 0.00 -1.37 0.21 0.00 0.00 0.00 0.00 51.96 50.81 2qbc s ALA 83 Cb 0.00 0.50 0.17 0.00 0.00 0.00 0.00 23.12 23.79 2qbc s ALA 83 CO 0.00 -0.39 1.18 -0.85 0.00 0.00 0.00 175.76 175.70