#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n ILE 2 N 0.00 0.33 -3.31 3.17 -0.00 -1.26 -4.91 119.36 113.38 2qbk n ILE 2 Ca 0.00 -0.33 -0.11 0.00 -0.00 0.00 0.00 62.75 62.30 2qbk n ILE 2 Cb 0.00 0.84 -0.06 0.00 -0.00 0.00 0.00 39.64 40.42 2qbk n ILE 2 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qbk s ARG 3 N -0.33 0.69 0.24 6.28 1.81 -1.26 -5.14 118.95 121.24 2qbk s ARG 3 Ca 0.00 -0.67 -0.26 0.00 -1.72 0.00 0.00 55.73 53.08 2qbk s ARG 3 Cb 0.00 -0.47 -0.16 0.00 -0.45 0.00 0.00 34.95 33.87 2qbk s ARG 3 CO 0.00 -1.19 0.42 -1.91 -0.68 0.00 0.00 175.30 171.94 2qbk n GLU 4 N 4.31 0.00 0.21 3.54 0.00 -1.26 -4.82 120.64 122.63 2qbk n GLU 4 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.38 2qbk n GLU 4 Cb 0.49 -0.97 0.27 0.00 0.00 0.00 0.00 31.44 31.23 2qbk n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qbk h GLU 5 N 0.84 0.00 -0.04 5.31 4.11 -2.01 -2.95 114.58 119.84 2qbk h GLU 5 Ca -0.29 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.15 2qbk h GLU 5 Cb 1.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 2qbk h GLU 5 CO 0.53 0.14 0.16 0.00 0.07 0.00 0.00 179.01 179.92 2qbk h ARG 6 N 0.00 0.00 0.00 1.06 3.08 -2.05 0.55 114.38 117.02 2qbk h ARG 6 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qbk h ARG 6 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2qbk h ARG 6 CO 0.02 0.00 -1.32 -0.11 -1.07 0.00 0.00 179.97 177.49 2qbk n LEU 7 N -3.18 0.30 -0.74 3.04 -0.00 -1.13 -4.45 117.00 110.84 2qbk n LEU 7 Ca -0.02 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2qbk n LEU 7 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2qbk n LEU 7 CO 0.19 0.07 0.17 0.18 -0.00 0.00 0.00 177.39 178.01 2qbk n LEU 8 N -1.77 0.92 -1.18 -1.96 4.77 0.19 -2.34 117.00 115.63 2qbk n LEU 8 Ca -0.01 -0.46 0.12 0.00 -0.03 0.00 0.00 56.01 55.63 2qbk n LEU 8 Cb 0.34 -0.23 0.22 0.00 -2.33 0.00 0.00 43.42 41.42 2qbk n LEU 8 CO 0.33 0.17 0.71 2.29 -1.33 0.00 0.00 177.39 179.56 2qbk n LYS 9 N 0.51 2.53 -0.26 3.23 0.00 -1.24 -4.66 118.16 118.27 2qbk n LYS 9 Ca 0.00 -2.33 -0.07 0.00 -0.00 0.00 0.00 58.31 55.91 2qbk n LYS 9 Cb 0.17 -1.52 -0.06 0.00 -0.00 0.00 0.00 35.03 33.62 2qbk n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbk n VAL 10 N 1.52 -0.42 -1.51 0.58 0.31 -0.99 -4.13 118.33 113.68 2qbk n VAL 10 Ca 0.20 1.61 -0.39 0.00 -0.01 0.00 0.00 64.34 65.75 2qbk n VAL 10 Cb 0.61 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.41 2qbk n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbk n LEU 11 N -4.63 0.64 0.01 7.52 7.99 -1.26 -3.61 117.00 123.65 2qbk n LEU 11 Ca 0.01 0.01 -0.20 0.00 -0.01 0.00 0.00 56.01 55.82 2qbk n LEU 11 Cb 0.16 -1.04 -0.14 0.00 -0.11 0.00 0.00 43.42 42.29 2qbk n LEU 11 CO -0.10 -0.92 -0.21 0.03 -1.51 0.00 0.00 177.39 174.68 2qbk h ARG 12 N 13.45 0.22 -1.92 3.23 2.47 -1.61 -3.48 114.38 126.73 2qbk h ARG 12 Ca -0.08 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.22 2qbk h ARG 12 Cb 1.29 0.14 -0.20 0.00 -1.65 0.00 0.00 29.97 29.55 2qbk h ARG 12 CO 1.35 1.18 0.24 0.00 0.56 0.00 0.00 179.97 183.31 2qbk s ALA 13 N -2.43 -1.81 -0.68 0.04 0.00 0.09 -5.02 121.76 111.96 2qbk s ALA 13 Ca -0.18 1.52 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 2qbk s ALA 13 Cb 0.03 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2qbk s ALA 13 CO 0.77 -0.35 1.23 -1.25 0.00 0.00 0.00 175.76 176.16 2qbk s PRO 14 N -0.81 3.30 0.18 0.00 0.04 -1.26 0.13 135.00 136.58 2qbk s PRO 14 Ca -0.07 -0.09 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 2qbk s PRO 14 Cb -0.01 -4.12 0.08 0.00 0.04 0.00 0.00 34.50 30.48 2qbk s PRO 14 CO 0.06 -1.96 1.61 1.25 0.04 0.00 0.00 177.00 178.00 2qbk h HIS 15 N 9.83 1.10 -0.40 0.56 2.76 -1.84 -3.46 115.15 123.71 2qbk h HIS 15 Ca -0.27 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2qbk h HIS 15 Cb 1.05 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2qbk h HIS 15 CO 1.09 1.03 0.00 0.28 -1.30 0.00 0.00 177.93 179.03 2qbk n VAL 16 N -4.14 0.00 -3.94 5.26 0.31 -1.19 -4.86 118.33 109.77 2qbk n VAL 16 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2qbk n VAL 16 Cb 0.41 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.21 2qbk n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qbk s SER 17 N 0.00 0.17 0.43 4.52 0.01 -1.26 -4.81 113.70 112.76 2qbk s SER 17 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2qbk s SER 17 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2qbk s SER 17 CO 0.00 -0.14 0.00 -0.62 0.41 0.00 0.00 173.24 172.89 2qbk n GLU 18 N 2.33 -3.04 0.00 12.44 -0.58 -1.26 -2.41 120.64 128.12 2qbk n GLU 18 Ca -0.18 2.18 0.00 0.00 -0.42 0.00 0.00 57.16 58.74 2qbk n GLU 18 Cb 0.57 -3.66 0.00 0.00 -0.57 0.00 0.00 31.44 27.79 2qbk n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbk n LYS 19 N -4.28 0.15 -0.00 3.49 4.81 -1.26 -2.73 118.16 118.34 2qbk n LYS 19 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2qbk n LYS 19 Cb 0.67 -1.20 -0.00 0.00 0.02 0.00 0.00 35.03 34.52 2qbk n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbk n ALA 20 N 0.60 1.82 -0.37 3.14 0.00 -1.25 -4.33 120.51 120.12 2qbk n ALA 20 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qbk n ALA 20 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2qbk n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qbk n SER 21 N -2.54 0.00 -0.31 0.00 7.64 -1.01 0.50 113.62 117.90 2qbk n SER 21 Ca -0.00 0.82 0.06 0.00 1.01 0.00 0.00 58.87 60.75 2qbk n SER 21 Cb 0.01 -0.32 0.15 0.00 -1.01 0.00 0.00 64.21 63.04 2qbk n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2qbk h THR 22 N 0.00 0.14 0.28 0.44 1.35 -1.74 0.20 112.91 113.58 2qbk h THR 22 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2qbk h THR 22 Cb 0.00 0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.51 2qbk h THR 22 CO 0.00 0.00 -0.42 0.00 -0.25 0.00 0.00 175.52 174.86 2qbk h ALA 23 N 1.87 -1.01 0.00 6.62 0.00 -1.68 3.14 119.26 128.20 2qbk h ALA 23 Ca 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qbk h ALA 23 Cb 0.76 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2qbk h ALA 23 CO -0.87 -1.07 0.00 -1.33 0.00 0.00 0.00 179.25 175.98 2qbk n MET 24 N -4.88 0.82 0.01 0.00 2.81 0.18 -2.37 117.12 113.70 2qbk n MET 24 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2qbk n MET 24 Cb 0.36 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 2qbk n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qbk n GLU 25 N 1.06 0.00 0.08 0.03 2.13 0.57 -4.33 120.64 120.17 2qbk n GLU 25 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 2qbk n GLU 25 Cb 0.41 0.00 0.35 0.00 0.27 0.00 0.00 31.44 32.47 2qbk n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qbk n LYS 26 N -2.58 0.09 -0.11 5.31 4.76 1.02 -0.31 118.16 126.34 2qbk n LYS 26 Ca 0.00 0.48 -0.13 0.00 -2.87 0.00 0.00 58.31 55.79 2qbk n LYS 26 Cb 0.00 -1.73 -0.14 0.00 -1.84 0.00 0.00 35.03 31.32 2qbk n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qbk n SER 27 N -1.90 0.86 0.00 4.39 2.88 -1.00 -5.07 113.62 113.78 2qbk n SER 27 Ca 0.01 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2qbk n SER 27 Cb 0.09 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2qbk n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qbk n ASN 28 N -2.98 0.00 -1.13 -3.46 6.94 0.58 -5.09 115.26 110.11 2qbk n ASN 28 Ca -0.38 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.33 2qbk n ASN 28 Cb 1.09 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.46 2qbk n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbk n THR 29 N -0.88 0.00 -3.81 5.53 -2.24 -1.26 -2.25 114.28 109.37 2qbk n THR 29 Ca 0.00 0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 2qbk n THR 29 Cb 0.00 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 2qbk n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qbk s ILE 30 N -2.43 0.12 0.17 2.28 2.07 -1.26 -4.19 121.20 117.97 2qbk s ILE 30 Ca 0.00 -0.95 0.07 0.00 -1.41 0.00 0.00 60.65 58.36 2qbk s ILE 30 Cb 0.00 -1.13 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 2qbk s ILE 30 CO 0.00 -0.53 -0.14 0.68 -1.91 0.00 0.00 174.94 173.04 2qbk s VAL 31 N -3.26 1.58 -0.30 4.00 -7.23 -1.26 0.11 120.40 114.04 2qbk s VAL 31 Ca 0.00 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 2qbk s VAL 31 Cb 0.02 -1.89 0.19 0.00 0.56 0.00 0.00 36.38 35.26 2qbk s VAL 31 CO -0.08 -0.55 1.42 -1.48 -0.31 0.00 0.00 175.10 174.10 2qbk s LEU 32 N -3.04 -0.06 -0.21 1.32 2.34 -1.26 -3.19 118.68 114.58 2qbk s LEU 32 Ca 0.18 0.11 -0.34 0.00 0.06 0.00 0.00 54.13 54.14 2qbk s LEU 32 Cb -0.02 1.11 -0.11 0.00 -0.56 0.00 0.00 46.19 46.62 2qbk s LEU 32 CO 0.05 -0.02 2.02 1.17 -1.06 0.00 0.00 176.35 178.52 2qbk n LYS 33 N 1.77 1.72 -3.83 1.48 4.81 0.34 -0.98 118.16 123.48 2qbk n LYS 33 Ca -0.11 0.57 -0.28 0.00 -0.87 0.00 0.00 58.31 57.61 2qbk n LYS 33 Cb 0.57 -2.64 -0.12 0.00 0.02 0.00 0.00 35.03 32.85 2qbk n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qbk s VAL 34 N 5.74 2.40 0.00 3.15 -7.23 -1.23 -0.73 120.40 122.50 2qbk s VAL 34 Ca 1.00 -3.78 0.00 0.00 -1.81 0.00 0.00 61.98 57.39 2qbk s VAL 34 Cb -0.72 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2qbk s VAL 34 CO 0.49 -0.99 0.00 0.00 -0.31 0.00 0.00 175.10 174.29 2qbk n ALA 35 N 2.39 0.00 0.00 1.32 0.00 -1.24 -4.55 120.51 118.44 2qbk n ALA 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qbk n ALA 35 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2qbk n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbk n LYS 36 N 0.00 1.19 0.15 0.00 0.00 -1.26 -2.61 118.16 115.64 2qbk n LYS 36 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2qbk n LYS 36 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 2qbk n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qbk h ASP 37 N 0.00 -0.34 0.00 3.14 3.45 -2.01 -3.46 116.42 117.20 2qbk h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qbk h ASP 37 Cb 0.80 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 2qbk h ASP 37 CO 0.00 -0.19 0.00 0.00 -1.57 0.00 0.00 179.24 177.48 2qbk n ALA 38 N -2.28 0.00 0.00 3.45 0.00 -1.26 -4.92 120.51 115.50 2qbk n ALA 38 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qbk n ALA 38 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2qbk n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qbk n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.91 114.28 113.77 2qbk n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbk n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qbk n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qbk n LYS 40 N 0.00 0.00 -0.09 1.09 5.02 -1.26 -4.26 118.16 118.66 2qbk n LYS 40 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2qbk n LYS 40 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2qbk n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbk h ALA 41 N 0.00 0.37 0.00 7.82 0.00 -1.94 0.50 119.26 126.02 2qbk h ALA 41 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qbk h ALA 41 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qbk h ALA 41 CO 0.00 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.41 2qbk n GLU 42 N -4.71 0.99 -0.06 0.00 0.28 -1.26 -1.99 120.64 113.89 2qbk n GLU 42 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.91 2qbk n GLU 42 Cb 0.16 -1.12 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 2qbk n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qbk n ILE 43 N -0.38 0.68 0.18 3.84 5.41 -0.32 -3.93 119.36 124.84 2qbk n ILE 43 Ca 0.00 -0.32 -0.07 0.00 1.00 0.00 0.00 62.75 63.36 2qbk n ILE 43 Cb 0.06 -0.86 -0.03 0.00 -0.71 0.00 0.00 39.64 38.09 2qbk n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qbk h LYS 44 N 0.00 -0.46 -0.67 0.38 3.64 0.57 -1.05 116.57 118.98 2qbk h LYS 44 Ca -0.27 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.32 2qbk h LYS 44 Cb 1.48 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 2qbk h LYS 44 CO -0.02 -0.31 0.47 0.00 -2.27 0.00 0.00 179.45 177.33 2qbk h ALA 45 N -1.66 2.47 -0.84 5.00 0.00 -1.68 0.50 119.26 123.06 2qbk h ALA 45 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qbk h ALA 45 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2qbk h ALA 45 CO 0.08 -0.66 0.52 0.00 0.00 0.00 0.00 179.25 179.19 2qbk h ALA 46 N 1.67 1.06 -0.00 0.00 0.00 -1.63 0.60 119.26 120.97 2qbk h ALA 46 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qbk h ALA 46 Cb 1.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qbk h ALA 46 CO -0.04 0.51 -0.24 0.28 0.00 0.00 0.00 179.25 179.76 2qbk n VAL 47 N -4.46 0.00 0.02 0.00 0.31 0.14 -3.14 118.33 111.19 2qbk n VAL 47 Ca 0.09 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.32 2qbk n VAL 47 Cb 0.04 0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 2qbk n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qbk h GLN 48 N 0.43 -0.15 0.22 5.55 1.08 0.16 -3.15 115.11 119.26 2qbk h GLN 48 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2qbk h GLN 48 Cb 0.45 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2qbk h GLN 48 CO 0.00 0.04 -0.11 0.87 -0.95 0.00 0.00 178.83 178.69 2qbk h LYS 49 N -1.02 -0.28 -7.37 1.46 1.79 -1.27 -3.16 116.57 106.72 2qbk h LYS 49 Ca -0.02 0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2qbk h LYS 49 Cb 0.26 0.06 0.12 0.00 -1.58 0.00 0.00 32.23 31.09 2qbk h LYS 49 CO 0.03 -0.19 0.32 -0.51 -1.08 0.00 0.00 179.45 178.02 2qbk s LEU 50 N -5.31 2.68 0.00 2.94 2.01 -1.19 -3.37 118.68 116.45 2qbk s LEU 50 Ca -0.04 1.46 0.00 0.00 0.01 0.00 0.00 54.13 55.56 2qbk s LEU 50 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 46.19 42.11 2qbk s LEU 50 CO 0.13 -2.01 0.00 0.49 1.01 0.00 0.00 176.35 175.97 2qbk n PHE 51 N -3.48 0.00 -3.06 0.29 0.99 -1.26 -4.22 117.46 106.73 2qbk n PHE 51 Ca 0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.31 2qbk n PHE 51 Cb 0.55 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.07 2qbk n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbk n GLU 52 N 0.00 -5.06 -3.84 -1.08 1.02 -1.19 -5.00 120.64 105.49 2qbk n GLU 52 Ca 0.00 0.84 -0.21 0.00 -0.02 0.00 0.00 57.16 57.76 2qbk n GLU 52 Cb 0.00 -5.59 -0.02 0.00 -0.02 0.00 0.00 31.44 25.82 2qbk n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qbk s VAL 53 N -3.16 5.12 0.03 2.62 1.01 -1.20 -5.05 120.40 119.77 2qbk s VAL 53 Ca 0.33 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2qbk s VAL 53 Cb -0.14 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 2qbk s VAL 53 CO 0.40 -0.34 1.23 -0.33 0.00 0.00 0.00 175.10 176.06 2qbk h GLU 54 N 1.09 -0.45 -4.15 2.72 4.39 -1.90 -3.42 114.58 112.87 2qbk h GLU 54 Ca -0.51 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2qbk h GLU 54 Cb 1.23 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.94 2qbk h GLU 54 CO 0.60 -0.30 -0.76 0.28 -1.16 0.00 0.00 179.01 177.68 2qbk n VAL 55 N -3.58 -8.22 0.20 3.13 0.31 -1.26 -4.71 118.33 104.20 2qbk n VAL 55 Ca -0.06 1.35 -0.11 0.00 -0.01 0.00 0.00 64.34 65.51 2qbk n VAL 55 Cb 0.20 -5.42 -0.06 0.00 -0.91 0.00 0.00 33.84 27.65 2qbk n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbk h GLU 56 N 2.05 -0.54 0.00 5.55 4.81 -0.68 -3.41 114.58 122.35 2qbk h GLU 56 Ca -0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2qbk h GLU 56 Cb 0.41 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2qbk h GLU 56 CO 0.03 -0.27 0.00 1.55 -0.73 0.00 0.00 179.01 179.59 2qbk n VAL 57 N -5.17 0.00 -3.28 0.32 3.14 -1.16 -4.95 118.33 107.24 2qbk n VAL 57 Ca -0.09 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.32 2qbk n VAL 57 Cb 0.27 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.01 2qbk n VAL 57 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2qbk s VAL 58 N 0.98 -0.25 -0.21 1.55 0.11 -1.19 -4.44 120.40 116.95 2qbk s VAL 58 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2qbk s VAL 58 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2qbk s VAL 58 CO 0.00 0.00 -0.16 0.20 -3.33 0.00 0.00 175.10 171.81 2qbk s ASN 59 N 2.23 3.61 0.11 3.54 0.01 -0.39 -4.97 114.94 119.08 2qbk s ASN 59 Ca -0.01 -0.85 0.05 0.00 -0.71 0.00 0.00 52.86 51.34 2qbk s ASN 59 Cb -0.03 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 2qbk s ASN 59 CO -0.17 -0.06 0.03 0.42 -1.51 0.00 0.00 177.10 175.81 2qbk s THR 60 N 1.25 4.10 0.05 1.60 -4.23 -1.25 -3.90 115.64 113.26 2qbk s THR 60 Ca 0.01 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 2qbk s THR 60 Cb -0.15 -2.99 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 2qbk s THR 60 CO -0.10 0.07 0.17 -1.48 -0.54 0.00 0.00 174.62 172.74 2qbk s LEU 61 N -2.49 1.49 0.02 4.79 0.05 -1.21 -4.91 118.68 116.42 2qbk s LEU 61 Ca 0.27 -0.47 -0.01 0.00 0.05 0.00 0.00 54.13 53.97 2qbk s LEU 61 Cb -0.11 0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 44.87 2qbk s LEU 61 CO 0.19 -0.58 0.17 -0.69 -0.55 0.00 0.00 176.35 174.89 2qbk s VAL 62 N -2.86 5.24 -0.25 1.48 1.01 -1.26 -0.67 120.40 123.09 2qbk s VAL 62 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2qbk s VAL 62 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2qbk s VAL 62 CO -0.06 0.26 -0.07 -0.69 0.00 0.00 0.00 175.10 174.54 2qbk s VAL 63 N -1.36 1.81 0.46 2.92 1.01 0.12 -4.97 120.40 120.39 2qbk s VAL 63 Ca 0.29 -1.43 0.37 0.00 0.00 0.00 0.00 61.98 61.22 2qbk s VAL 63 Cb -0.13 -2.02 0.56 0.00 0.00 0.00 0.00 36.38 34.80 2qbk s VAL 63 CO 0.21 -0.09 1.47 0.29 0.00 0.00 0.00 175.10 176.98 2qbk n LYS 64 N 4.56 -0.02 -1.06 2.72 4.01 -1.26 -2.92 118.16 124.19 2qbk n LYS 64 Ca -0.12 1.12 0.00 0.00 -0.51 0.00 0.00 58.31 58.80 2qbk n LYS 64 Cb 0.43 -2.34 0.00 0.00 -0.51 0.00 0.00 35.03 32.61 2qbk n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbk n GLY 65 N -1.64 -4.23 1.62 0.72 0.00 -1.26 -4.27 105.19 96.13 2qbk n GLY 65 Ca 0.40 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2qbk n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 66 N 0.65 -3.36 -3.59 1.61 5.02 -1.26 -4.57 118.16 112.67 2qbk n LYS 66 Ca 0.00 -0.75 -0.01 0.00 -2.02 0.00 0.00 58.31 55.53 2qbk n LYS 66 Cb 0.00 -0.95 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 2qbk n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbk s VAL 67 N -1.59 -0.69 0.00 -0.18 0.11 -1.26 -0.78 120.40 116.01 2qbk s VAL 67 Ca 0.34 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 2qbk s VAL 67 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2qbk s VAL 67 CO 0.28 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.34 2qbk n LYS 68 N 5.09 0.49 0.00 1.54 4.01 -0.40 -4.96 118.16 123.94 2qbk n LYS 68 Ca -0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 2qbk n LYS 68 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qbk n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qbk n ARG 69 N 0.00 0.00 -2.73 1.97 3.00 -1.26 -0.08 116.66 117.56 2qbk n ARG 69 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2qbk n ARG 69 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2qbk n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qbk s HIS 70 N -1.28 3.47 0.00 -0.14 -3.43 -1.26 -4.76 115.29 107.89 2qbk s HIS 70 Ca 0.00 1.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.39 2qbk s HIS 70 Cb 0.00 -2.52 0.00 0.00 -1.43 0.00 0.00 32.58 28.63 2qbk s HIS 70 CO 0.00 -0.18 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 2qbk n GLY 71 N -1.42 -0.92 0.17 -1.38 0.00 -1.26 -3.88 105.19 96.50 2qbk n GLY 71 Ca 0.03 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 45.02 2qbk n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qbk h GLN 72 N 0.00 0.00 -5.69 1.61 3.07 -2.06 -3.42 115.11 108.63 2qbk h GLN 72 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 58.65 58.08 2qbk h GLN 72 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 27.44 2qbk h GLN 72 CO 0.00 0.00 -0.54 1.03 0.09 0.00 0.00 178.83 179.41 2qbk s ARG 73 N -3.44 3.39 0.34 0.06 1.81 -1.25 -5.11 118.95 114.75 2qbk s ARG 73 Ca 0.02 -0.27 0.06 0.00 -1.72 0.00 0.00 55.73 53.82 2qbk s ARG 73 Cb 0.09 -3.06 -0.07 0.00 -0.45 0.00 0.00 34.95 31.46 2qbk s ARG 73 CO 0.38 0.65 0.01 -1.50 -0.68 0.00 0.00 175.30 174.17 2qbk s ILE 74 N -0.69 1.58 -0.05 1.52 1.10 -1.26 -4.07 121.20 119.32 2qbk s ILE 74 Ca 0.12 -2.04 -0.03 0.00 -0.51 0.00 0.00 60.65 58.19 2qbk s ILE 74 Cb -0.12 -2.77 0.02 0.00 0.15 0.00 0.00 42.46 39.74 2qbk s ILE 74 CO 0.03 -0.08 0.13 -0.83 -2.11 0.00 0.00 174.94 172.08 2qbk s GLY 75 N -3.55 -0.06 0.03 1.50 0.00 0.88 -4.98 107.32 101.15 2qbk s GLY 75 Ca 0.34 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.58 2qbk s GLY 75 CO 0.15 0.61 0.01 -1.60 0.00 0.00 0.00 173.10 172.28 2qbk s ARG 76 N 0.58 2.74 0.00 2.90 3.52 -1.26 -1.27 118.95 126.16 2qbk s ARG 76 Ca -0.04 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 2qbk s ARG 76 Cb -0.06 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2qbk s ARG 76 CO -0.03 0.60 0.00 0.54 -0.81 0.00 0.00 175.30 175.60 2qbk n ARG 77 N 1.06 2.04 -4.29 5.12 1.74 0.04 -4.98 116.66 117.40 2qbk n ARG 77 Ca -0.13 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.75 2qbk n ARG 77 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.85 2qbk n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qbk s SER 78 N -1.16 2.40 0.57 0.55 0.01 -1.26 -4.95 113.70 109.87 2qbk s SER 78 Ca 0.00 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 2qbk s SER 78 Cb 0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2qbk s SER 78 CO 0.00 -0.07 0.90 -1.81 0.41 0.00 0.00 173.24 172.68 2qbk s ASP 79 N -2.51 5.96 0.03 2.44 1.01 -1.26 -4.11 116.67 118.23 2qbk s ASP 79 Ca 0.12 0.98 -0.28 0.00 0.71 0.00 0.00 52.55 54.08 2qbk s ASP 79 Cb -0.06 -2.09 0.09 0.00 1.01 0.00 0.00 42.92 41.88 2qbk s ASP 79 CO 0.05 -0.87 0.93 -1.66 0.21 0.00 0.00 175.17 173.83 2qbk s TRP 80 N -2.97 -0.27 0.38 4.23 1.48 -1.15 -4.97 118.94 115.68 2qbk s TRP 80 Ca 0.52 0.09 0.07 0.00 -1.06 0.00 0.00 56.10 55.72 2qbk s TRP 80 Cb -0.11 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 2qbk s TRP 80 CO 0.48 -0.60 0.52 0.21 -4.06 0.00 0.00 176.95 173.49 2qbk s LYS 81 N -3.12 2.94 -0.00 3.25 2.47 -1.07 0.12 119.74 124.33 2qbk s LYS 81 Ca 0.08 -1.15 0.06 0.00 -1.56 0.00 0.00 55.97 53.39 2qbk s LYS 81 Cb -0.01 -2.78 -0.02 0.00 -1.46 0.00 0.00 37.83 33.57 2qbk s LYS 81 CO -0.05 -0.13 -0.18 0.21 0.16 0.00 0.00 175.35 175.36 2qbk s LYS 82 N -4.27 1.42 0.00 4.03 2.20 0.15 -3.50 119.74 119.77 2qbk s LYS 82 Ca 0.51 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 2qbk s LYS 82 Cb -0.10 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 2qbk s LYS 82 CO 0.32 0.38 0.33 0.00 -0.36 0.00 0.00 175.35 176.02 2qbk n ALA 83 N 2.51 -0.03 -3.35 3.13 0.00 -0.16 -3.30 120.51 119.31 2qbk n ALA 83 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2qbk n ALA 83 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 2qbk n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbk n TYR 84 N -0.66 -2.45 0.18 0.00 4.02 -1.03 -3.53 117.16 113.69 2qbk n TYR 84 Ca 0.00 0.84 -0.13 0.00 -0.01 0.00 0.00 57.90 58.60 2qbk n TYR 84 Cb 0.00 -3.82 -0.08 0.00 -0.02 0.00 0.00 39.34 35.42 2qbk n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qbk h VAL 85 N -0.74 0.55 -3.53 -0.72 2.07 0.51 -1.02 116.25 113.37 2qbk h VAL 85 Ca -0.44 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2qbk h VAL 85 Cb 1.23 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2qbk h VAL 85 CO 0.40 0.10 -0.59 0.35 0.02 0.00 0.00 177.57 177.85 2qbk n THR 86 N -5.16 -8.93 -4.66 2.57 -2.24 -1.26 -3.15 114.28 91.46 2qbk n THR 86 Ca -0.10 1.94 -0.34 0.00 -2.27 0.00 0.00 64.05 63.29 2qbk n THR 86 Cb 0.28 -4.76 -0.12 0.00 -2.10 0.00 0.00 70.33 63.63 2qbk n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qbk s LEU 87 N -0.35 3.06 0.00 3.22 1.43 -1.26 -0.03 118.68 124.75 2qbk s LEU 87 Ca 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2qbk s LEU 87 Cb 0.00 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2qbk s LEU 87 CO 0.00 0.32 0.05 0.29 0.23 0.00 0.00 176.35 177.24 2qbk n LYS 88 N 2.52 0.00 0.00 1.70 4.76 -1.26 -4.52 118.16 121.36 2qbk n LYS 88 Ca -0.18 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2qbk n LYS 88 Cb 0.53 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 2qbk n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbk n GLU 89 N -0.08 -0.33 0.00 1.97 -0.58 -1.26 -4.70 120.64 115.66 2qbk n GLU 89 Ca 0.00 -0.38 0.04 0.00 -0.42 0.00 0.00 57.16 56.40 2qbk n GLU 89 Cb 0.00 -0.79 0.26 0.00 -0.57 0.00 0.00 31.44 30.34 2qbk n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbk n GLY 90 N -0.03 -0.53 3.57 0.62 0.00 -1.26 -4.59 105.19 102.97 2qbk n GLY 90 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2qbk n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qbk s GLN 91 N -2.00 1.89 0.08 1.61 -0.21 -1.26 -4.37 119.66 115.40 2qbk s GLN 91 Ca 0.13 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 2qbk s GLN 91 Cb 0.06 -5.06 -0.00 0.00 1.00 0.00 0.00 33.01 29.01 2qbk s GLN 91 CO 0.10 -4.54 -0.02 0.09 -2.12 0.00 0.00 175.29 168.80 2qbk n ASN 92 N 16.90 1.10 -0.50 5.90 5.03 -1.26 -5.17 115.26 137.26 2qbk n ASN 92 Ca 0.43 0.14 0.14 0.00 0.87 0.00 0.00 54.58 56.16 2qbk n ASN 92 Cb 0.46 -0.35 0.51 0.00 -1.02 0.00 0.00 39.78 39.38 2qbk n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61