#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n ILE 2 N 0.00 0.44 -3.30 3.17 -0.00 -1.26 -4.90 119.36 113.50 2qbi n ILE 2 Ca 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 62.75 62.21 2qbi n ILE 2 Cb 0.00 0.78 -0.05 0.00 -0.00 0.00 0.00 39.64 40.36 2qbi n ILE 2 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qbi s ARG 3 N -0.44 0.70 0.27 6.28 1.81 -1.26 -5.14 118.95 121.17 2qbi s ARG 3 Ca 0.00 -0.63 -0.25 0.00 -1.72 0.00 0.00 55.73 53.14 2qbi s ARG 3 Cb 0.00 -0.42 -0.16 0.00 -0.45 0.00 0.00 34.95 33.92 2qbi s ARG 3 CO 0.00 -1.19 0.35 -1.91 -0.68 0.00 0.00 175.30 171.87 2qbi n GLU 4 N 4.33 0.00 0.22 3.54 0.00 -1.26 -4.82 120.64 122.65 2qbi n GLU 4 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.38 2qbi n GLU 4 Cb 0.49 -0.98 0.23 0.00 0.00 0.00 0.00 31.44 31.19 2qbi n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qbi h GLU 5 N 0.73 0.00 -0.02 5.31 4.11 -2.01 -2.98 114.58 119.72 2qbi h GLU 5 Ca -0.31 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.13 2qbi h GLU 5 Cb 1.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2qbi h GLU 5 CO 0.52 0.07 0.12 0.00 0.07 0.00 0.00 179.01 179.79 2qbi h ARG 6 N 0.00 0.00 0.00 1.06 3.08 -2.05 0.46 114.38 116.93 2qbi h ARG 6 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qbi h ARG 6 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2qbi h ARG 6 CO 0.01 0.00 -1.19 -0.11 -1.07 0.00 0.00 179.97 177.60 2qbi n LEU 7 N -3.14 0.33 -0.75 3.04 -0.00 -1.15 -4.46 117.00 110.87 2qbi n LEU 7 Ca -0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 2qbi n LEU 7 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2qbi n LEU 7 CO 0.19 0.08 0.18 0.18 -0.00 0.00 0.00 177.39 178.03 2qbi n LEU 8 N -1.69 0.98 -1.20 -1.96 4.77 0.16 -2.41 117.00 115.66 2qbi n LEU 8 Ca -0.00 -0.49 0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2qbi n LEU 8 Cb 0.31 -0.25 0.23 0.00 -2.33 0.00 0.00 43.42 41.39 2qbi n LEU 8 CO 0.30 0.18 0.72 2.29 -1.33 0.00 0.00 177.39 179.55 2qbi n LYS 9 N 0.50 2.55 -0.26 3.23 0.00 -1.25 -4.66 118.16 118.28 2qbi n LYS 9 Ca 0.00 -2.37 -0.07 0.00 -0.00 0.00 0.00 58.31 55.87 2qbi n LYS 9 Cb 0.18 -1.52 -0.06 0.00 -0.00 0.00 0.00 35.03 33.63 2qbi n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbi n VAL 10 N 1.53 -0.42 -1.51 0.58 0.31 -1.01 -4.13 118.33 113.68 2qbi n VAL 10 Ca 0.20 1.61 -0.39 0.00 -0.01 0.00 0.00 64.34 65.76 2qbi n VAL 10 Cb 0.61 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.41 2qbi n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbi n LEU 11 N -4.61 0.59 0.02 7.52 7.99 -1.26 -3.61 117.00 123.64 2qbi n LEU 11 Ca 0.01 -0.01 -0.21 0.00 -0.01 0.00 0.00 56.01 55.80 2qbi n LEU 11 Cb 0.16 -1.03 -0.14 0.00 -0.11 0.00 0.00 43.42 42.30 2qbi n LEU 11 CO -0.10 -0.94 -0.22 0.03 -1.51 0.00 0.00 177.39 174.65 2qbi h ARG 12 N 13.36 0.26 -1.90 3.23 2.47 -1.62 -3.48 114.38 126.70 2qbi h ARG 12 Ca -0.08 -0.44 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 2qbi h ARG 12 Cb 1.29 0.16 -0.20 0.00 -1.65 0.00 0.00 29.97 29.57 2qbi h ARG 12 CO 1.36 1.21 0.26 0.00 0.56 0.00 0.00 179.97 183.35 2qbi s ALA 13 N -2.45 -1.81 -0.68 0.04 0.00 0.10 -5.02 121.76 111.94 2qbi s ALA 13 Ca -0.17 1.52 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 2qbi s ALA 13 Cb 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2qbi s ALA 13 CO 0.79 -0.35 1.23 -1.25 0.00 0.00 0.00 175.76 176.18 2qbi s PRO 14 N -0.83 3.30 0.17 0.00 0.04 -1.26 0.12 135.00 136.54 2qbi s PRO 14 Ca -0.07 -0.10 -0.09 0.00 0.04 0.00 0.00 61.00 60.78 2qbi s PRO 14 Cb -0.01 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2qbi s PRO 14 CO 0.06 -1.96 1.57 1.25 0.04 0.00 0.00 177.00 177.96 2qbi h HIS 15 N 9.83 1.13 -0.36 0.56 2.76 -1.84 -3.45 115.15 123.78 2qbi h HIS 15 Ca -0.27 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2qbi h HIS 15 Cb 1.05 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2qbi h HIS 15 CO 1.09 1.09 0.00 0.28 -1.30 0.00 0.00 177.93 179.08 2qbi n VAL 16 N -4.12 0.00 -3.94 5.26 0.31 -1.19 -4.86 118.33 109.80 2qbi n VAL 16 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2qbi n VAL 16 Cb 0.44 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.25 2qbi n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qbi s SER 17 N 0.00 0.16 0.43 4.52 0.01 -1.26 -4.80 113.70 112.75 2qbi s SER 17 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2qbi s SER 17 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2qbi s SER 17 CO 0.00 -0.16 0.00 -0.62 0.41 0.00 0.00 173.24 172.87 2qbi n GLU 18 N 2.27 -3.03 0.00 12.44 -0.58 -1.26 -2.38 120.64 128.10 2qbi n GLU 18 Ca -0.18 2.16 0.00 0.00 -0.42 0.00 0.00 57.16 58.72 2qbi n GLU 18 Cb 0.57 -3.65 0.00 0.00 -0.57 0.00 0.00 31.44 27.80 2qbi n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbi n LYS 19 N -4.27 0.16 -0.00 3.49 4.81 -1.26 -2.70 118.16 118.38 2qbi n LYS 19 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2qbi n LYS 19 Cb 0.66 -1.21 -0.00 0.00 0.02 0.00 0.00 35.03 34.50 2qbi n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbi n ALA 20 N 0.61 1.92 -0.42 3.14 0.00 -1.25 -4.35 120.51 120.16 2qbi n ALA 20 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qbi n ALA 20 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2qbi n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qbi n SER 21 N -2.64 0.00 -0.32 0.00 7.64 -1.00 0.39 113.62 117.69 2qbi n SER 21 Ca -0.01 0.79 0.06 0.00 1.01 0.00 0.00 58.87 60.73 2qbi n SER 21 Cb 0.02 -0.29 0.16 0.00 -1.01 0.00 0.00 64.21 63.09 2qbi n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2qbi h THR 22 N 0.00 0.11 0.25 0.44 1.35 -1.74 0.18 112.91 113.50 2qbi h THR 22 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2qbi h THR 22 Cb 0.00 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.49 2qbi h THR 22 CO 0.00 0.00 -0.39 0.00 -0.25 0.00 0.00 175.52 174.89 2qbi h ALA 23 N 1.90 -0.98 0.00 6.62 0.00 -1.68 3.06 119.26 128.17 2qbi h ALA 23 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qbi h ALA 23 Cb 0.78 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2qbi h ALA 23 CO -0.90 -1.04 0.00 -1.33 0.00 0.00 0.00 179.25 175.98 2qbi n MET 24 N -4.69 0.81 0.00 0.00 2.81 0.16 -2.37 117.12 113.84 2qbi n MET 24 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2qbi n MET 24 Cb 0.33 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 2qbi n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qbi n GLU 25 N 1.14 0.00 0.03 0.03 2.13 0.49 -4.34 120.64 120.12 2qbi n GLU 25 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2qbi n GLU 25 Cb 0.40 -0.01 0.24 0.00 0.27 0.00 0.00 31.44 32.34 2qbi n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qbi n LYS 26 N -2.47 0.03 -0.11 5.31 4.76 0.99 -0.60 118.16 126.08 2qbi n LYS 26 Ca 0.00 0.39 -0.12 0.00 -2.87 0.00 0.00 58.31 55.71 2qbi n LYS 26 Cb 0.00 -1.58 -0.13 0.00 -1.84 0.00 0.00 35.03 31.48 2qbi n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qbi n SER 27 N -1.64 1.05 0.00 4.39 2.88 -1.00 -5.07 113.62 114.23 2qbi n SER 27 Ca 0.02 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2qbi n SER 27 Cb 0.10 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2qbi n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qbi n ASN 28 N -2.91 0.00 -1.23 -3.46 6.94 0.23 -5.09 115.26 109.74 2qbi n ASN 28 Ca -0.36 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.36 2qbi n ASN 28 Cb 1.05 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.42 2qbi n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbi n THR 29 N -0.90 0.00 -3.85 5.53 -2.24 -1.26 -2.30 114.28 109.27 2qbi n THR 29 Ca 0.00 0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2qbi n THR 29 Cb 0.00 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 2qbi n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qbi s ILE 30 N -2.59 0.13 0.16 2.28 2.07 -1.26 -4.18 121.20 117.81 2qbi s ILE 30 Ca 0.00 -1.04 0.07 0.00 -1.41 0.00 0.00 60.65 58.27 2qbi s ILE 30 Cb 0.00 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 2qbi s ILE 30 CO 0.00 -0.57 -0.14 0.68 -1.91 0.00 0.00 174.94 173.00 2qbi s VAL 31 N -3.28 1.52 -0.30 4.00 -7.23 -1.26 0.10 120.40 113.95 2qbi s VAL 31 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 2qbi s VAL 31 Cb 0.02 -1.83 0.19 0.00 0.56 0.00 0.00 36.38 35.32 2qbi s VAL 31 CO -0.08 -0.54 1.41 -1.48 -0.31 0.00 0.00 175.10 174.11 2qbi s LEU 32 N -2.96 -0.06 -0.20 1.32 2.34 -1.26 -3.15 118.68 114.70 2qbi s LEU 32 Ca 0.17 0.12 -0.34 0.00 0.06 0.00 0.00 54.13 54.14 2qbi s LEU 32 Cb -0.02 1.12 -0.11 0.00 -0.56 0.00 0.00 46.19 46.62 2qbi s LEU 32 CO 0.04 -0.02 2.02 1.17 -1.06 0.00 0.00 176.35 178.51 2qbi n LYS 33 N 1.78 1.75 -3.83 1.48 4.81 0.32 -0.90 118.16 123.56 2qbi n LYS 33 Ca -0.11 0.58 -0.28 0.00 -0.87 0.00 0.00 58.31 57.62 2qbi n LYS 33 Cb 0.57 -2.65 -0.12 0.00 0.02 0.00 0.00 35.03 32.84 2qbi n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qbi s VAL 34 N 5.72 2.41 0.00 3.15 -7.23 -1.23 -0.72 120.40 122.50 2qbi s VAL 34 Ca 1.00 -3.77 0.00 0.00 -1.81 0.00 0.00 61.98 57.40 2qbi s VAL 34 Cb -0.71 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2qbi s VAL 34 CO 0.49 -0.99 0.00 0.00 -0.31 0.00 0.00 175.10 174.30 2qbi n ALA 35 N 2.42 0.00 0.00 1.32 0.00 -1.24 -4.55 120.51 118.45 2qbi n ALA 35 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2qbi n ALA 35 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2qbi n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbi n LYS 36 N 0.00 0.95 0.12 0.00 0.00 -1.26 -2.55 118.16 115.41 2qbi n LYS 36 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.26 2qbi n LYS 36 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 35.03 34.10 2qbi n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qbi h ASP 37 N 0.00 -0.26 0.00 3.14 3.45 -2.01 -3.46 116.42 117.28 2qbi h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qbi h ASP 37 Cb 0.82 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 2qbi h ASP 37 CO 0.00 -0.16 0.00 0.00 -1.57 0.00 0.00 179.24 177.51 2qbi n ALA 38 N -2.19 0.00 0.00 3.45 0.00 -1.26 -4.92 120.51 115.58 2qbi n ALA 38 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qbi n ALA 38 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2qbi n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qbi n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.91 114.28 113.77 2qbi n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbi n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qbi n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qbi n LYS 40 N 0.00 0.00 -0.07 1.09 5.02 -1.26 -4.29 118.16 118.65 2qbi n LYS 40 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2qbi n LYS 40 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2qbi n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbi h ALA 41 N 0.00 0.30 0.00 7.82 0.00 -1.94 0.50 119.26 125.94 2qbi h ALA 41 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qbi h ALA 41 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qbi h ALA 41 CO 0.00 -0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.34 2qbi n GLU 42 N -4.75 0.96 -0.05 0.00 0.28 -1.26 -1.91 120.64 113.91 2qbi n GLU 42 Ca -0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.90 2qbi n GLU 42 Cb 0.17 -1.14 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 2qbi n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qbi n ILE 43 N -0.35 0.63 0.21 3.84 5.41 -0.40 -3.96 119.36 124.73 2qbi n ILE 43 Ca 0.00 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.38 2qbi n ILE 43 Cb 0.07 -0.86 -0.04 0.00 -0.71 0.00 0.00 39.64 38.10 2qbi n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qbi h LYS 44 N 0.00 -0.52 -0.48 0.38 3.64 0.65 -0.85 116.57 119.39 2qbi h LYS 44 Ca -0.24 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2qbi h LYS 44 Cb 1.43 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 2qbi h LYS 44 CO -0.02 -0.35 0.37 0.00 -2.27 0.00 0.00 179.45 177.18 2qbi h ALA 45 N -1.62 2.39 -0.71 5.00 0.00 -1.66 0.43 119.26 123.08 2qbi h ALA 45 Ca -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qbi h ALA 45 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2qbi h ALA 45 CO 0.09 -0.62 0.33 0.00 0.00 0.00 0.00 179.25 179.06 2qbi h ALA 46 N 1.71 0.92 -0.00 0.00 0.00 -1.62 -0.35 119.26 119.91 2qbi h ALA 46 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbi h ALA 46 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2qbi h ALA 46 CO -0.00 0.49 -0.18 0.28 0.00 0.00 0.00 179.25 179.83 2qbi n VAL 47 N -4.42 0.00 -0.03 0.00 0.31 0.12 -3.17 118.33 111.14 2qbi n VAL 47 Ca 0.06 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 2qbi n VAL 47 Cb 0.14 0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 2qbi n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qbi h GLN 48 N 0.71 -0.05 0.25 5.55 1.08 0.97 -3.16 115.11 120.46 2qbi h GLN 48 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2qbi h GLN 48 Cb 0.43 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2qbi h GLN 48 CO 0.00 0.17 -0.12 0.87 -0.95 0.00 0.00 178.83 178.80 2qbi h LYS 49 N -1.00 -0.32 -7.37 1.46 1.79 -1.33 -3.16 116.57 106.63 2qbi h LYS 49 Ca -0.01 0.02 -0.50 0.00 -2.18 0.00 0.00 60.65 57.99 2qbi h LYS 49 Cb 0.24 0.07 0.11 0.00 -1.58 0.00 0.00 32.23 31.08 2qbi h LYS 49 CO 0.01 -0.21 0.33 -0.51 -1.08 0.00 0.00 179.45 177.99 2qbi s LEU 50 N -5.49 2.75 0.00 2.94 2.01 -1.19 -3.37 118.68 116.33 2qbi s LEU 50 Ca -0.05 1.48 0.00 0.00 0.01 0.00 0.00 54.13 55.57 2qbi s LEU 50 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 46.19 42.06 2qbi s LEU 50 CO 0.14 -1.93 0.00 0.49 1.01 0.00 0.00 176.35 176.07 2qbi n PHE 51 N -3.42 0.00 -3.20 0.29 0.99 -1.26 -4.22 117.46 106.64 2qbi n PHE 51 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.31 2qbi n PHE 51 Cb 0.55 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 39.08 2qbi n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbi n GLU 52 N 0.00 -5.81 -3.88 -1.08 1.02 -1.19 -5.00 120.64 104.70 2qbi n GLU 52 Ca 0.00 0.83 -0.21 0.00 -0.02 0.00 0.00 57.16 57.77 2qbi n GLU 52 Cb 0.00 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 25.75 2qbi n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbi s VAL 53 N -3.21 5.03 0.03 2.62 1.01 -1.20 -5.05 120.40 119.63 2qbi s VAL 53 Ca 0.39 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2qbi s VAL 53 Cb -0.17 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2qbi s VAL 53 CO 0.49 -0.30 1.19 -0.33 0.00 0.00 0.00 175.10 176.15 2qbi h GLU 54 N 1.12 -0.38 -4.10 2.72 4.39 -1.89 -3.42 114.58 113.02 2qbi h GLU 54 Ca -0.51 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2qbi h GLU 54 Cb 1.23 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 2qbi h GLU 54 CO 0.59 -0.26 -0.77 0.28 -1.16 0.00 0.00 179.01 177.70 2qbi n VAL 55 N -3.34 -8.10 0.18 3.13 0.31 -1.26 -4.71 118.33 104.53 2qbi n VAL 55 Ca -0.05 1.36 -0.10 0.00 -0.01 0.00 0.00 64.34 65.54 2qbi n VAL 55 Cb 0.17 -5.31 -0.06 0.00 -0.91 0.00 0.00 33.84 27.74 2qbi n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbi h GLU 56 N 2.03 -0.51 0.00 5.55 4.81 -0.77 -3.41 114.58 122.28 2qbi h GLU 56 Ca -0.21 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2qbi h GLU 56 Cb 0.48 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2qbi h GLU 56 CO 0.02 -0.25 0.00 1.55 -0.73 0.00 0.00 179.01 179.60 2qbi n VAL 57 N -5.14 0.00 -3.22 0.32 3.14 -1.17 -4.95 118.33 107.31 2qbi n VAL 57 Ca -0.08 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.34 2qbi n VAL 57 Cb 0.25 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.00 2qbi n VAL 57 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2qbi s VAL 58 N 1.23 -0.17 -0.21 1.55 0.11 -1.19 -4.47 120.40 117.25 2qbi s VAL 58 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2qbi s VAL 58 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2qbi s VAL 58 CO 0.00 0.00 -0.13 0.20 -3.33 0.00 0.00 175.10 171.84 2qbi s ASN 59 N 2.32 3.73 0.13 3.54 0.01 -0.42 -4.96 114.94 119.29 2qbi s ASN 59 Ca -0.01 -0.73 0.06 0.00 -0.71 0.00 0.00 52.86 51.46 2qbi s ASN 59 Cb -0.04 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 2qbi s ASN 59 CO -0.15 -0.05 0.03 0.42 -1.51 0.00 0.00 177.10 175.84 2qbi s THR 60 N 1.31 4.03 0.04 1.60 -4.23 -1.25 -3.90 115.64 113.24 2qbi s THR 60 Ca 0.03 -1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 59.29 2qbi s THR 60 Cb -0.15 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.72 2qbi s THR 60 CO -0.09 0.00 0.23 -1.48 -0.54 0.00 0.00 174.62 172.75 2qbi s LEU 61 N -2.66 1.22 0.03 4.79 0.05 -1.21 -4.92 118.68 115.98 2qbi s LEU 61 Ca 0.27 -0.31 -0.01 0.00 0.05 0.00 0.00 54.13 54.13 2qbi s LEU 61 Cb -0.11 1.08 -0.04 0.00 -2.05 0.00 0.00 46.19 45.07 2qbi s LEU 61 CO 0.19 -0.58 0.20 -0.69 -0.55 0.00 0.00 176.35 174.93 2qbi s VAL 62 N -2.56 5.40 -0.25 1.48 1.01 -1.26 -0.70 120.40 123.51 2qbi s VAL 62 Ca -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2qbi s VAL 62 Cb -0.01 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.84 2qbi s VAL 62 CO -0.04 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 174.53 2qbi s VAL 63 N -1.44 1.75 0.40 2.92 1.01 0.12 -4.97 120.40 120.19 2qbi s VAL 63 Ca 0.32 -1.43 0.30 0.00 0.00 0.00 0.00 61.98 61.17 2qbi s VAL 63 Cb -0.13 -2.00 0.46 0.00 0.00 0.00 0.00 36.38 34.71 2qbi s VAL 63 CO 0.24 -0.13 1.37 0.29 0.00 0.00 0.00 175.10 176.87 2qbi n LYS 64 N 4.58 -0.03 -1.00 2.72 4.01 -1.26 -2.95 118.16 124.22 2qbi n LYS 64 Ca -0.11 1.09 0.00 0.00 -0.51 0.00 0.00 58.31 58.77 2qbi n LYS 64 Cb 0.43 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 2qbi n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbi n GLY 65 N -1.49 -4.03 1.72 0.72 0.00 -1.26 -4.23 105.19 96.62 2qbi n GLY 65 Ca 0.36 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 2qbi n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbi n LYS 66 N 0.51 -3.56 -3.60 1.61 5.02 -1.26 -4.56 118.16 112.32 2qbi n LYS 66 Ca 0.00 -0.79 -0.02 0.00 -2.02 0.00 0.00 58.31 55.49 2qbi n LYS 66 Cb 0.00 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 2qbi n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbi s VAL 67 N -1.59 -0.66 0.00 -0.18 0.11 -1.26 -0.78 120.40 116.04 2qbi s VAL 67 Ca 0.36 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2qbi s VAL 67 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2qbi s VAL 67 CO 0.30 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.36 2qbi n LYS 68 N 5.04 0.45 0.00 1.54 4.01 -0.31 -4.95 118.16 123.94 2qbi n LYS 68 Ca -0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 2qbi n LYS 68 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qbi n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbi n ARG 69 N 0.00 0.00 -2.79 1.97 3.00 -1.26 0.10 116.66 117.68 2qbi n ARG 69 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2qbi n ARG 69 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2qbi n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qbi s HIS 70 N -1.23 3.45 0.00 -0.14 -3.43 -1.26 -4.75 115.29 107.93 2qbi s HIS 70 Ca 0.00 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.42 2qbi s HIS 70 Cb 0.00 -2.53 0.00 0.00 -1.43 0.00 0.00 32.58 28.62 2qbi s HIS 70 CO 0.00 -0.14 0.00 0.41 -2.00 0.00 0.00 174.74 173.01 2qbi n GLY 71 N -1.24 -0.96 0.19 -1.38 0.00 -1.26 -3.89 105.19 96.64 2qbi n GLY 71 Ca 0.03 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 45.02 2qbi n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qbi h GLN 72 N 0.00 0.00 -5.70 1.61 3.07 -2.06 -3.42 115.11 108.61 2qbi h GLN 72 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 58.65 58.08 2qbi h GLN 72 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.45 2qbi h GLN 72 CO 0.00 0.00 -0.54 1.03 0.09 0.00 0.00 178.83 179.41 2qbi s ARG 73 N -3.51 3.37 0.37 0.06 1.81 -1.25 -5.11 118.95 114.69 2qbi s ARG 73 Ca 0.02 -0.26 0.05 0.00 -1.72 0.00 0.00 55.73 53.81 2qbi s ARG 73 Cb 0.09 -3.06 -0.07 0.00 -0.45 0.00 0.00 34.95 31.46 2qbi s ARG 73 CO 0.39 0.67 0.04 -1.50 -0.68 0.00 0.00 175.30 174.22 2qbi s ILE 74 N -0.74 1.51 -0.07 1.52 1.10 -1.26 -4.06 121.20 119.19 2qbi s ILE 74 Ca 0.12 -2.00 -0.05 0.00 -0.51 0.00 0.00 60.65 58.22 2qbi s ILE 74 Cb -0.12 -2.85 0.03 0.00 0.15 0.00 0.00 42.46 39.68 2qbi s ILE 74 CO 0.03 0.00 0.18 -0.83 -2.11 0.00 0.00 174.94 172.21 2qbi s GLY 75 N -3.60 -0.10 0.01 1.50 0.00 0.12 -4.97 107.32 100.27 2qbi s GLY 75 Ca 0.35 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.75 2qbi s GLY 75 CO 0.16 0.78 0.00 -1.60 0.00 0.00 0.00 173.10 172.45 2qbi s ARG 76 N 0.68 2.76 0.00 2.90 3.52 -1.26 -1.16 118.95 126.39 2qbi s ARG 76 Ca -0.05 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2qbi s ARG 76 Cb -0.06 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2qbi s ARG 76 CO -0.04 0.61 0.00 0.54 -0.81 0.00 0.00 175.30 175.61 2qbi n ARG 77 N 1.29 2.29 -4.27 5.12 1.74 0.04 -4.98 116.66 117.90 2qbi n ARG 77 Ca -0.14 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.75 2qbi n ARG 77 Cb 0.53 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.86 2qbi n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qbi s SER 78 N -1.23 2.15 0.59 0.55 0.01 -1.26 -4.95 113.70 109.56 2qbi s SER 78 Ca 0.00 -0.84 -0.07 0.00 1.31 0.00 0.00 55.95 56.35 2qbi s SER 78 Cb 0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 2qbi s SER 78 CO 0.00 -0.13 0.92 -1.81 0.41 0.00 0.00 173.24 172.62 2qbi s ASP 79 N -2.58 5.77 0.01 2.44 1.01 -1.26 -4.08 116.67 117.98 2qbi s ASP 79 Ca 0.11 0.88 -0.29 0.00 0.71 0.00 0.00 52.55 53.97 2qbi s ASP 79 Cb -0.04 -1.92 0.10 0.00 1.01 0.00 0.00 42.92 42.06 2qbi s ASP 79 CO 0.04 -0.98 0.99 -1.66 0.21 0.00 0.00 175.17 173.76 2qbi s TRP 80 N -3.01 -0.23 0.39 4.23 1.48 -1.15 -4.96 118.94 115.68 2qbi s TRP 80 Ca 0.53 0.07 0.07 0.00 -1.06 0.00 0.00 56.10 55.71 2qbi s TRP 80 Cb -0.11 0.56 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 2qbi s TRP 80 CO 0.47 -0.55 0.53 0.21 -4.06 0.00 0.00 176.95 173.55 2qbi s LYS 81 N -3.00 2.93 -0.01 3.25 2.47 -1.06 0.11 119.74 124.42 2qbi s LYS 81 Ca 0.08 -1.16 0.05 0.00 -1.56 0.00 0.00 55.97 53.38 2qbi s LYS 81 Cb -0.01 -2.77 -0.01 0.00 -1.46 0.00 0.00 37.83 33.58 2qbi s LYS 81 CO -0.05 -0.14 -0.17 0.21 0.16 0.00 0.00 175.35 175.36 2qbi s LYS 82 N -4.28 1.34 0.00 4.03 2.20 0.12 -3.49 119.74 119.66 2qbi s LYS 82 Ca 0.51 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2qbi s LYS 82 Cb -0.10 -1.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 2qbi s LYS 82 CO 0.32 0.36 0.35 0.00 -0.36 0.00 0.00 175.35 176.02 2qbi n ALA 83 N 2.66 -0.03 -3.36 3.13 0.00 -0.08 -3.31 120.51 119.52 2qbi n ALA 83 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 2qbi n ALA 83 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 2qbi n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbi n TYR 84 N -0.62 -2.40 0.20 0.00 4.02 -1.03 -3.57 117.16 113.76 2qbi n TYR 84 Ca 0.00 0.80 -0.13 0.00 -0.01 0.00 0.00 57.90 58.56 2qbi n TYR 84 Cb 0.00 -3.85 -0.08 0.00 -0.02 0.00 0.00 39.34 35.40 2qbi n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qbi h VAL 85 N -0.92 0.51 -3.46 -0.72 2.07 0.37 -1.11 116.25 112.98 2qbi h VAL 85 Ca -0.49 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2qbi h VAL 85 Cb 1.26 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2qbi h VAL 85 CO 0.42 0.08 -0.57 0.35 0.02 0.00 0.00 177.57 177.87 2qbi n THR 86 N -5.19 -8.74 -4.67 2.57 -2.24 -1.26 -3.14 114.28 91.61 2qbi n THR 86 Ca -0.10 1.89 -0.33 0.00 -2.27 0.00 0.00 64.05 63.24 2qbi n THR 86 Cb 0.29 -4.68 -0.12 0.00 -2.10 0.00 0.00 70.33 63.72 2qbi n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qbi s LEU 87 N -0.34 3.03 0.00 3.22 1.43 -1.26 -0.14 118.68 124.62 2qbi s LEU 87 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2qbi s LEU 87 Cb 0.00 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2qbi s LEU 87 CO 0.00 0.31 0.03 0.29 0.23 0.00 0.00 176.35 177.21 2qbi n LYS 88 N 2.58 0.00 0.00 1.70 4.76 -1.26 -4.53 118.16 121.40 2qbi n LYS 88 Ca -0.18 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2qbi n LYS 88 Cb 0.53 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2qbi n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbi n GLU 89 N -0.05 -0.38 0.00 1.97 -0.58 -1.26 -4.69 120.64 115.65 2qbi n GLU 89 Ca 0.00 -0.38 0.05 0.00 -0.42 0.00 0.00 57.16 56.41 2qbi n GLU 89 Cb 0.00 -0.80 0.28 0.00 -0.57 0.00 0.00 31.44 30.35 2qbi n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbi n GLY 90 N -0.03 -0.51 3.57 0.62 0.00 -1.26 -4.59 105.19 102.99 2qbi n GLY 90 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2qbi n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qbi s GLN 91 N -2.00 1.83 0.08 1.61 -0.21 -1.26 -4.37 119.66 115.34 2qbi s GLN 91 Ca 0.14 -0.50 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 2qbi s GLN 91 Cb 0.07 -5.04 -0.00 0.00 1.00 0.00 0.00 33.01 29.03 2qbi s GLN 91 CO 0.11 -4.60 -0.02 0.09 -2.12 0.00 0.00 175.29 168.74 2qbi n ASN 92 N 17.16 1.17 -0.54 5.90 5.03 -1.26 -5.17 115.26 137.54 2qbi n ASN 92 Ca 0.43 0.15 0.14 0.00 0.87 0.00 0.00 54.58 56.17 2qbi n ASN 92 Cb 0.46 -0.36 0.47 0.00 -1.02 0.00 0.00 39.78 39.33 2qbi n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61