#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n GLY 7 N 0.00 -0.14 2.92 -0.02 0.00 -1.26 -4.97 105.19 101.72 2qbk n GLY 7 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2qbk n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbk s SER 8 N -2.34 0.25 0.00 1.61 0.15 -1.26 -5.10 113.70 107.01 2qbk s SER 8 Ca 0.00 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2qbk s SER 8 Cb 0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 2qbk s SER 8 CO 0.00 -0.28 0.00 1.07 1.20 0.00 0.00 173.24 175.23 2qbk n THR 9 N 4.76 0.00 -1.42 6.45 5.66 -1.26 -5.18 114.28 123.30 2qbk n THR 9 Ca 0.07 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.25 2qbk n THR 9 Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 2qbk n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qbk n ARG 10 N 0.00 -3.14 0.00 1.09 3.00 -1.26 -5.08 116.66 111.28 2qbk n ARG 10 Ca 0.00 2.41 0.00 0.00 -0.01 0.00 0.00 57.85 60.25 2qbk n ARG 10 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 32.46 28.74 2qbk n ARG 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2qbk n ASN 11 N -4.29 0.00 -1.23 0.55 5.15 -1.26 -5.17 115.26 109.01 2qbk n ASN 11 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 2qbk n ASN 11 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 2qbk n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qbk n GLY 12 N -0.30 -2.48 0.00 8.20 0.00 -1.26 -5.10 105.19 104.26 2qbk n GLY 12 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qbk n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbk n ARG 13 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.12 116.66 114.89 2qbk n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2qbk n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qbk n ARG 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qbk n ASP 14 N 0.00 0.00 -2.95 6.15 9.92 -1.26 -4.94 116.55 123.47 2qbk n ASP 14 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 2qbk n ASP 14 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2qbk n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2qbk n SER 15 N 0.00 -7.33 0.00 -2.24 7.64 -1.26 -4.95 113.62 105.48 2qbk n SER 15 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2qbk n SER 15 Cb 0.00 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 2qbk n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbk n GLU 16 N 0.88 0.00 -3.06 1.43 -0.58 -1.26 -4.99 120.64 113.06 2qbk n GLU 16 Ca 0.00 0.25 -0.08 0.00 -0.42 0.00 0.00 57.16 56.91 2qbk n GLU 16 Cb 0.26 -1.18 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 2qbk n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbk n ALA 17 N -1.24 -2.73 -3.00 0.62 0.00 -1.26 -4.97 120.51 107.93 2qbk n ALA 17 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2qbk n ALA 17 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 16.98 2qbk n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbk n LYS 18 N -1.10 0.00 -3.59 0.00 3.00 -1.26 -4.31 118.16 110.90 2qbk n LYS 18 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.96 2qbk n LYS 18 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.44 2qbk n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbk s ARG 19 N 1.76 4.01 -0.01 1.64 3.00 -1.26 -0.32 118.95 127.77 2qbk s ARG 19 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 55.73 55.58 2qbk s ARG 19 Cb 0.00 -3.61 0.29 0.00 0.00 0.00 0.00 34.95 31.63 2qbk s ARG 19 CO 0.00 -0.10 1.24 1.28 0.00 0.00 0.00 175.30 177.73 2qbk n LEU 20 N 4.78 2.90 -2.75 2.53 4.77 -1.25 -4.61 117.00 123.36 2qbk n LEU 20 Ca -0.14 -2.06 -0.09 0.00 -0.03 0.00 0.00 56.01 53.69 2qbk n LEU 20 Cb 0.52 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2qbk n LEU 20 CO 0.34 0.71 0.32 0.61 -1.33 0.00 0.00 177.39 178.05 2qbk n GLY 21 N 0.37 1.22 3.68 -0.72 0.00 -1.26 -4.51 105.19 103.98 2qbk n GLY 21 Ca 0.11 -0.29 -0.52 0.00 0.00 0.00 0.00 46.02 45.33 2qbk n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbk n VAL 22 N -0.06 0.36 -1.44 1.61 0.24 -1.26 -4.67 118.33 113.10 2qbk n VAL 22 Ca 0.04 -0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.41 2qbk n VAL 22 Cb 0.77 -1.49 -0.03 0.00 -1.47 0.00 0.00 33.84 31.61 2qbk n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2qbk n LYS 23 N 5.42 -2.00 -1.20 7.34 -0.00 -1.26 -4.68 118.16 121.77 2qbk n LYS 23 Ca 0.23 1.32 -0.44 0.00 -0.00 0.00 0.00 58.31 59.42 2qbk n LYS 23 Cb 0.22 -2.44 -0.04 0.00 -0.00 0.00 0.00 35.03 32.76 2qbk n LYS 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2qbk n ARG 24 N -3.19 0.00 -4.10 -1.58 -4.01 -0.13 -4.07 116.66 99.57 2qbk n ARG 24 Ca 0.01 0.00 -0.14 0.00 -1.04 0.00 0.00 57.85 56.68 2qbk n ARG 24 Cb 0.45 -1.02 -0.05 0.00 -3.04 0.00 0.00 32.46 28.80 2qbk n ARG 24 CO 0.00 0.00 0.00 0.12 -3.04 0.00 0.00 177.63 174.71 2qbk s PHE 25 N -0.47 0.99 0.53 2.89 5.99 -1.26 -4.63 117.98 122.02 2qbk s PHE 25 Ca 0.63 -1.22 0.32 0.00 0.00 0.00 0.00 56.93 56.66 2qbk s PHE 25 Cb -0.90 -0.15 1.80 0.00 0.00 0.00 0.00 43.02 43.77 2qbk s PHE 25 CO 0.47 -1.02 2.21 0.78 -0.00 0.00 0.00 175.22 177.66 2qbk h GLY 26 N 2.21 0.00 -4.57 13.12 0.00 -1.93 -3.37 103.07 108.55 2qbk h GLY 26 Ca -0.29 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 2qbk h GLY 26 CO 0.40 0.00 -0.55 0.61 0.00 0.00 0.00 176.54 177.00 2qbk n GLY 27 N -1.00 -0.10 1.14 4.60 0.00 -1.26 -4.15 105.19 104.42 2qbk n GLY 27 Ca -0.02 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 2qbk n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qbk n GLU 28 N -0.47 -2.79 0.16 1.61 4.07 -1.26 -3.02 120.64 118.93 2qbk n GLU 28 Ca -0.07 -0.50 0.04 0.00 -0.06 0.00 0.00 57.16 56.57 2qbk n GLU 28 Cb 0.32 -0.67 0.21 0.00 -0.06 0.00 0.00 31.44 31.23 2qbk n GLU 28 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2qbk n SER 29 N -3.76 0.20 0.00 4.31 7.64 -1.26 -4.06 113.62 116.68 2qbk n SER 29 Ca 0.05 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2qbk n SER 29 Cb 0.21 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2qbk n SER 29 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2qbk n VAL 30 N -1.90 0.00 0.00 0.44 3.14 -1.25 -3.99 118.33 114.77 2qbk n VAL 30 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2qbk n VAL 30 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 2qbk n VAL 30 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2qbk n LEU 31 N 0.00 0.00 0.01 6.55 4.77 -1.26 -5.04 117.00 122.04 2qbk n LEU 31 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbk n LEU 31 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbk n LEU 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2qbk n ALA 32 N -3.00 0.00 -0.28 -1.18 0.00 -1.25 -4.97 120.51 109.84 2qbk n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbk n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 33 N -1.15 0.00 0.00 0.00 0.00 -1.26 -4.48 105.19 98.30 2qbk n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbk n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbk n SER 34 N 0.00 0.00 -0.26 1.61 2.88 -1.25 -3.97 113.62 112.63 2qbk n SER 34 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2qbk n SER 34 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2qbk n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbk n ILE 35 N 0.00 1.60 -1.60 2.46 3.06 0.57 -1.66 119.36 123.78 2qbk n ILE 35 Ca 0.00 -2.04 -0.15 0.00 -2.50 0.00 0.00 62.75 58.07 2qbk n ILE 35 Cb 0.00 -0.09 -0.11 0.00 0.54 0.00 0.00 39.64 39.97 2qbk n ILE 35 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2qbk s ILE 36 N -2.42 3.03 1.19 9.51 1.01 -1.24 -4.25 121.20 128.02 2qbk s ILE 36 Ca 0.28 -0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 2qbk s ILE 36 Cb 0.26 -3.97 0.30 0.00 0.01 0.00 0.00 42.46 39.05 2qbk s ILE 36 CO 0.00 -0.05 0.68 0.52 0.00 0.00 0.00 174.94 176.10 2qbk n VAL 37 N 9.06 0.00 -3.78 2.92 0.31 -1.26 -3.95 118.33 121.63 2qbk n VAL 37 Ca 0.41 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.48 2qbk n VAL 37 Cb 0.47 -0.77 0.04 0.00 -0.91 0.00 0.00 33.84 32.67 2qbk n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbk n ARG 38 N -4.76 -6.01 -3.98 5.55 5.12 -1.26 -4.96 116.66 106.37 2qbk n ARG 38 Ca 0.11 0.67 -0.09 0.00 -1.93 0.00 0.00 57.85 56.60 2qbk n ARG 38 Cb 0.47 -5.54 -0.04 0.00 -1.16 0.00 0.00 32.46 26.19 2qbk n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2qbk s GLN 39 N -6.37 1.66 0.00 5.56 0.74 -1.25 -5.00 119.66 115.00 2qbk s GLN 39 Ca 0.49 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.62 2qbk s GLN 39 Cb -0.24 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.37 2qbk s GLN 39 CO 0.80 -0.71 0.00 -2.13 -0.55 0.00 0.00 175.29 172.70 2qbk n ARG 40 N -0.42 0.00 0.01 1.67 0.63 -1.26 -4.74 116.66 112.55 2qbk n ARG 40 Ca -0.02 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.96 2qbk n ARG 40 Cb 0.61 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.41 2qbk n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbk n GLY 41 N -1.28 -1.13 0.25 5.14 0.00 -1.26 -2.26 105.19 104.64 2qbk n GLY 41 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.74 2qbk n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbk h THR 42 N 0.00 1.06 -1.25 2.61 2.02 -1.94 -3.23 112.91 112.17 2qbk h THR 42 Ca -0.14 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.61 2qbk h THR 42 Cb 1.36 1.11 -0.22 0.00 -1.74 0.00 0.00 68.15 68.66 2qbk h THR 42 CO 0.02 0.08 -0.53 -0.54 0.37 0.00 0.00 175.52 174.92 2qbk s LYS 43 N -4.92 0.84 0.29 6.66 -0.14 -1.26 -4.71 119.74 116.50 2qbk s LYS 43 Ca -0.05 -0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.66 2qbk s LYS 43 Cb 0.16 -0.16 -0.10 0.00 -1.68 0.00 0.00 37.83 36.06 2qbk s LYS 43 CO 0.69 -1.23 1.13 -0.06 -0.76 0.00 0.00 175.35 175.12 2qbk s PHE 44 N 1.50 3.49 0.26 3.18 0.08 -0.96 -4.66 117.98 120.87 2qbk s PHE 44 Ca 0.19 1.66 -0.29 0.00 0.12 0.00 0.00 56.93 58.61 2qbk s PHE 44 Cb -0.05 -3.33 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 2qbk s PHE 44 CO -0.06 -0.73 1.22 -3.38 -0.10 0.00 0.00 175.22 172.16 2qbk s HIS 45 N -1.18 3.34 0.04 0.36 -3.43 -1.26 -0.06 115.29 113.10 2qbk s HIS 45 Ca 0.46 1.47 -0.28 0.00 -0.80 0.00 0.00 55.06 55.90 2qbk s HIS 45 Cb -0.33 -3.49 0.10 0.00 -1.43 0.00 0.00 32.58 27.44 2qbk s HIS 45 CO 0.42 -1.30 1.12 0.00 -2.00 0.00 0.00 174.74 172.98 2qbk s ALA 46 N -0.69 -1.96 0.00 -1.38 0.00 -0.59 -4.76 121.76 112.38 2qbk s ALA 46 Ca 0.50 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2qbk s ALA 46 Cb -0.35 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2qbk s ALA 46 CO 0.43 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2qbk n GLY 47 N -0.44 0.41 0.39 0.00 0.00 -1.26 -3.20 105.19 101.10 2qbk n GLY 47 Ca -0.07 -0.86 0.21 0.00 0.00 0.00 0.00 46.02 45.30 2qbk n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk h ALA 48 N -0.93 2.09 -2.29 4.61 0.00 -1.92 -3.40 119.26 117.41 2qbk h ALA 48 Ca 0.00 0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.49 2qbk h ALA 48 Cb 0.00 0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.84 2qbk h ALA 48 CO 0.00 -0.50 0.34 0.54 0.00 0.00 0.00 179.25 179.63 2qbk s ASN 49 N -5.27 6.40 0.00 0.00 4.22 -1.19 -3.99 114.94 115.11 2qbk s ASN 49 Ca -0.09 1.39 0.00 0.00 -2.14 0.00 0.00 52.86 52.02 2qbk s ASN 49 Cb 0.26 -2.44 0.00 0.00 1.28 0.00 0.00 41.25 40.34 2qbk s ASN 49 CO 0.80 -0.69 0.00 1.33 -2.04 0.00 0.00 177.10 176.50 2qbk n VAL 50 N -2.14 0.00 0.00 3.54 0.24 -1.26 -3.59 118.33 115.12 2qbk n VAL 50 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2qbk n VAL 50 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2qbk n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbk n GLY 51 N 0.00 1.03 3.15 7.63 0.00 -1.26 -1.89 105.19 113.84 2qbk n GLY 51 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 2qbk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n GLY 53 N -1.55 -3.12 0.27 0.00 0.00 -1.10 -4.56 105.19 95.13 2qbk n GLY 53 Ca -0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 2qbk n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbk h ARG 54 N 0.00 -0.09 -1.91 1.61 3.08 -1.93 0.18 114.38 115.31 2qbk h ARG 54 Ca -0.07 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qbk h ARG 54 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qbk h ARG 54 CO 0.04 -0.06 0.00 -0.40 -1.07 0.00 0.00 179.97 178.48 2qbk n ASP 55 N -4.42 3.15 -4.06 7.04 5.75 -1.26 -4.74 116.55 118.02 2qbk n ASP 55 Ca -0.00 -1.80 -0.36 0.00 -0.01 0.00 0.00 54.79 52.63 2qbk n ASP 55 Cb 0.18 -0.65 -0.07 0.00 -1.03 0.00 0.00 41.12 39.55 2qbk n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qbk n HIS 56 N 1.55 -1.02 -3.00 2.11 8.25 0.62 -4.13 115.22 119.60 2qbk n HIS 56 Ca 0.00 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 2qbk n HIS 56 Cb 0.31 -1.57 -0.05 0.00 1.12 0.00 0.00 29.99 29.79 2qbk n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2qbk s THR 57 N -2.89 4.80 -0.84 1.59 2.01 -1.25 -4.41 115.64 114.64 2qbk s THR 57 Ca 0.70 0.91 -0.22 0.00 0.31 0.00 0.00 61.69 63.38 2qbk s THR 57 Cb -0.41 -4.15 -0.19 0.00 0.01 0.00 0.00 72.50 67.76 2qbk s THR 57 CO 0.86 -0.34 2.34 0.18 -0.69 0.00 0.00 174.62 176.97 2qbk n LEU 58 N 6.25 1.00 0.00 4.42 7.99 -0.66 -2.65 117.00 133.33 2qbk n LEU 58 Ca 0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 56.01 54.73 2qbk n LEU 58 Cb 0.48 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 2qbk n LEU 58 CO 0.51 -2.37 0.27 0.33 -1.51 0.00 0.00 177.39 174.62 2qbk n PHE 59 N 15.56 0.00 -0.67 -1.77 7.35 -0.80 -4.45 117.46 132.68 2qbk n PHE 59 Ca 0.52 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 2qbk n PHE 59 Cb 0.36 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.12 2qbk n PHE 59 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qbk n ALA 60 N -1.29 -1.35 -1.00 3.13 0.00 -1.19 -3.76 120.51 115.05 2qbk n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbk n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbk n LYS 61 N 0.46 3.06 -0.80 0.00 4.01 -1.26 -3.92 118.16 119.71 2qbk n LYS 61 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 2qbk n LYS 61 Cb 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 34.55 2qbk n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qbk n ALA 62 N -3.00 -4.69 -0.75 7.82 0.00 -1.26 -3.97 120.51 114.66 2qbk n ALA 62 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 2qbk n ALA 62 Cb 0.00 -0.92 0.16 0.00 0.00 0.00 0.00 19.45 18.70 2qbk n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbk s ASP 63 N -0.79 3.01 0.00 0.00 1.01 -1.26 -4.80 116.67 113.84 2qbk s ASP 63 Ca 0.33 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.80 2qbk s ASP 63 Cb -0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2qbk s ASP 63 CO 0.64 -3.05 0.00 0.61 0.21 0.00 0.00 175.17 173.58 2qbk n GLY 64 N 0.24 -0.54 3.16 0.21 0.00 -1.17 -4.82 105.19 102.27 2qbk n GLY 64 Ca 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2qbk n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk s LYS 65 N 0.00 0.32 0.37 1.61 1.02 0.40 -4.36 119.74 119.09 2qbk s LYS 65 Ca 0.00 0.44 -0.27 0.00 0.02 0.00 0.00 55.97 56.15 2qbk s LYS 65 Cb 0.00 0.11 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 2qbk s LYS 65 CO 0.00 -0.06 1.29 0.08 -0.92 0.00 0.00 175.35 175.73 2qbk s VAL 66 N 0.37 2.74 -0.12 3.17 1.01 -1.26 -1.87 120.40 124.45 2qbk s VAL 66 Ca -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2qbk s VAL 66 Cb -0.03 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2qbk s VAL 66 CO -0.02 0.13 -0.20 1.17 0.00 0.00 0.00 175.10 176.18 2qbk n LYS 67 N 0.46 0.32 -2.22 2.72 3.00 0.11 -0.96 118.16 121.59 2qbk n LYS 67 Ca 0.02 0.14 -0.04 0.00 -0.00 0.00 0.00 58.31 58.43 2qbk n LYS 67 Cb 0.43 -1.05 -0.03 0.00 0.00 0.00 0.00 35.03 34.38 2qbk n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbk n PHE 68 N -3.86 -2.95 -1.27 5.64 3.72 -1.26 -4.83 117.46 112.65 2qbk n PHE 68 Ca -0.21 1.70 0.00 0.00 -0.05 0.00 0.00 57.45 58.89 2qbk n PHE 68 Cb 0.53 -3.11 0.00 0.00 -0.94 0.00 0.00 39.48 35.97 2qbk n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qbk n GLU 69 N 1.09 3.91 0.00 -1.08 1.02 0.26 -4.99 120.64 120.85 2qbk n GLU 69 Ca -0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2qbk n GLU 69 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2qbk n GLU 69 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qbk n VAL 70 N 0.00 0.00 -1.53 2.62 3.14 -0.61 -4.58 118.33 117.37 2qbk n VAL 70 Ca 0.00 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 60.90 2qbk n VAL 70 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2qbk n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2qbk n LYS 71 N 0.00 0.88 0.00 1.45 4.01 -1.26 -4.46 118.16 118.78 2qbk n LYS 71 Ca 0.00 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 2qbk n LYS 71 Cb 0.00 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 32.88 2qbk n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbk n GLY 72 N 1.70 3.54 3.10 0.72 0.00 -1.26 -4.87 105.19 108.12 2qbk n GLY 72 Ca 0.14 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 2qbk n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbk n PRO 73 N 0.30 0.00 -2.77 1.61 -0.02 -1.26 -3.51 135.00 129.35 2qbk n PRO 73 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2qbk n PRO 73 Cb 0.00 -1.02 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 2qbk n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qbk n LYS 74 N 1.02 -1.25 0.00 -0.52 4.76 -1.26 -4.61 118.16 116.30 2qbk n LYS 74 Ca 0.17 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 2qbk n LYS 74 Cb 0.19 -4.89 0.00 0.00 -1.84 0.00 0.00 35.03 28.49 2qbk n LYS 74 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qbk n ASN 75 N -1.96 0.00 -1.89 4.39 4.05 -1.23 -4.90 115.26 113.73 2qbk n ASN 75 Ca -0.02 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.01 2qbk n ASN 75 Cb 0.53 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.53 2qbk n ASN 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qbk n ARG 76 N 0.00 -2.98 0.00 1.20 5.12 -1.26 -4.31 116.66 114.43 2qbk n ARG 76 Ca 0.00 2.39 0.00 0.00 -1.93 0.00 0.00 57.85 58.31 2qbk n ARG 76 Cb 0.00 -3.11 0.00 0.00 -1.16 0.00 0.00 32.46 28.19 2qbk n ARG 76 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2qbk n LYS 77 N 1.06 0.00 -0.98 5.56 3.00 -1.22 -4.20 118.16 121.37 2qbk n LYS 77 Ca -0.07 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 2qbk n LYS 77 Cb 0.11 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2qbk n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbk n PHE 78 N -1.30 -1.92 -4.26 5.64 3.72 -1.24 -1.57 117.46 116.54 2qbk n PHE 78 Ca 0.00 1.11 -0.19 0.00 -0.05 0.00 0.00 57.45 58.31 2qbk n PHE 78 Cb 0.00 -2.56 -0.11 0.00 -0.94 0.00 0.00 39.48 35.87 2qbk n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qbk s ILE 79 N -0.58 1.44 0.29 4.37 1.01 0.92 0.89 121.20 129.53 2qbk s ILE 79 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 60.65 58.77 2qbk s ILE 79 Cb 0.00 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2qbk s ILE 79 CO 0.00 -0.34 0.69 -0.94 0.00 0.00 0.00 174.94 174.36 2qbk s SER 80 N -2.35 -0.20 -0.28 3.58 1.04 -1.25 -1.55 113.70 112.69 2qbk s SER 80 Ca 0.09 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 2qbk s SER 80 Cb -0.06 0.72 0.09 0.00 0.10 0.00 0.00 66.02 66.88 2qbk s SER 80 CO 0.04 -1.36 0.10 0.27 0.98 0.00 0.00 173.24 173.27 2qbk s ILE 81 N -3.76 0.49 0.00 -1.02 -4.36 -1.26 0.03 121.20 111.32 2qbk s ILE 81 Ca 0.13 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 2qbk s ILE 81 Cb -0.05 -1.32 0.00 0.00 1.25 0.00 0.00 42.46 42.34 2qbk s ILE 81 CO 0.08 -0.62 0.00 -1.84 0.24 0.00 0.00 174.94 172.80 2qbk n GLU 82 N 5.02 0.64 -3.55 0.37 0.28 -0.78 -4.31 120.64 118.30 2qbk n GLU 82 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.78 2qbk n GLU 82 Cb 0.43 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.26 2qbk n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qbk n ALA 83 N -3.00 0.32 0.39 -1.84 0.00 -1.26 -0.45 120.51 114.67 2qbk n ALA 83 Ca 0.00 -1.33 0.05 0.00 0.00 0.00 0.00 53.44 52.15 2qbk n ALA 83 Cb 0.00 0.82 0.04 0.00 0.00 0.00 0.00 19.45 20.31 2qbk n ALA 83 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65