#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n ILE 2 N 0.00 0.00 -3.71 3.17 -0.00 -1.26 -5.09 119.36 112.47 2qao n ILE 2 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 62.53 2qao n ILE 2 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 39.64 39.46 2qao n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qao s ARG 3 N -2.00 0.28 0.48 6.28 3.03 -1.26 -5.15 118.95 120.61 2qao s ARG 3 Ca 0.00 0.17 -0.15 0.00 2.03 0.00 0.00 55.73 57.78 2qao s ARG 3 Cb 0.00 -0.92 -0.08 0.00 -1.03 0.00 0.00 34.95 32.92 2qao s ARG 3 CO 0.00 -0.36 0.92 -2.00 -1.13 0.00 0.00 175.30 172.73 2qao s GLU 4 N 2.06 3.93 0.47 3.89 -6.30 -1.26 -4.95 118.70 116.54 2qao s GLU 4 Ca 0.04 0.84 0.26 0.00 -2.50 0.00 0.00 54.97 53.61 2qao s GLU 4 Cb -0.13 -2.21 1.14 0.00 0.00 0.00 0.00 34.13 32.93 2qao s GLU 4 CO -0.05 -0.19 1.92 1.05 0.02 0.00 0.00 175.26 178.02 2qao h GLU 5 N 1.10 0.00 -0.38 4.30 4.11 -2.00 -1.21 114.58 120.50 2qao h GLU 5 Ca -0.47 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.07 2qao h GLU 5 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2qao h GLU 5 CO 0.62 0.18 0.33 0.00 0.07 0.00 0.00 179.01 180.22 2qao h ARG 6 N 0.00 0.00 0.00 1.06 2.47 -2.05 0.31 114.38 116.17 2qao h ARG 6 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qao h ARG 6 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2qao h ARG 6 CO 0.02 0.00 -0.72 -0.11 0.56 0.00 0.00 179.97 179.73 2qao n LEU 7 N -4.02 0.49 -1.86 3.04 -0.00 -0.79 -4.64 117.00 109.22 2qao n LEU 7 Ca 0.06 -0.43 -0.02 0.00 -0.00 0.00 0.00 56.01 55.63 2qao n LEU 7 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 2qao n LEU 7 CO 0.31 0.12 0.71 0.18 -0.00 0.00 0.00 177.39 178.72 2qao n LEU 8 N -1.38 2.97 -2.07 -1.96 4.77 0.11 -3.87 117.00 115.57 2qao n LEU 8 Ca 0.02 -1.52 -0.26 0.00 -0.03 0.00 0.00 56.01 54.21 2qao n LEU 8 Cb 0.21 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.67 2qao n LEU 8 CO 0.25 0.61 0.60 2.29 -1.33 0.00 0.00 177.39 179.81 2qao n LYS 9 N 2.00 3.23 0.19 3.23 0.00 -1.26 -4.77 118.16 120.77 2qao n LYS 9 Ca 0.07 -3.84 -0.08 0.00 -0.00 0.00 0.00 58.31 54.45 2qao n LYS 9 Cb 0.34 -2.26 -0.04 0.00 -0.00 0.00 0.00 35.03 33.08 2qao n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qao h VAL 10 N 1.75 0.00 -1.09 0.58 2.07 -1.84 -3.43 116.25 114.29 2qao h VAL 10 Ca 0.44 -0.50 -0.62 0.00 0.82 0.00 0.00 66.70 66.84 2qao h VAL 10 Cb 1.32 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2qao h VAL 10 CO 1.00 0.00 1.49 0.18 0.02 0.00 0.00 177.57 180.26 2qao n LEU 11 N -4.83 2.02 -0.05 2.57 7.99 -1.26 -3.14 117.00 120.30 2qao n LEU 11 Ca -0.07 0.25 -0.06 0.00 -0.01 0.00 0.00 56.01 56.12 2qao n LEU 11 Cb 0.21 -1.29 -0.14 0.00 -0.11 0.00 0.00 43.42 42.09 2qao n LEU 11 CO 0.16 -0.85 -0.81 0.54 -1.51 0.00 0.00 177.39 174.93 2qao n ARG 12 N 8.37 0.66 -3.63 3.23 1.74 -0.77 -4.97 116.66 121.29 2qao n ARG 12 Ca 0.43 0.09 -0.04 0.00 -0.77 0.00 0.00 57.85 57.55 2qao n ARG 12 Cb 0.26 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 2qao n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qao s ALA 13 N -2.70 -2.10 -0.01 7.54 0.00 -0.90 -5.01 121.76 118.58 2qao s ALA 13 Ca -0.07 1.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 2qao s ALA 13 Cb 0.08 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2qao s ALA 13 CO 0.83 -0.22 0.97 -1.25 0.00 0.00 0.00 175.76 176.10 2qao s PRO 14 N -0.76 4.55 0.01 0.00 0.04 -1.26 0.92 135.00 138.51 2qao s PRO 14 Ca 0.06 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 2qao s PRO 14 Cb -0.02 -3.46 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 2qao s PRO 14 CO -0.08 -0.06 1.33 1.25 0.04 0.00 0.00 177.00 179.49 2qao h HIS 15 N 6.81 -0.16 -7.01 0.56 2.76 -1.87 -3.45 115.15 112.79 2qao h HIS 15 Ca -0.41 -0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.26 2qao h HIS 15 Cb 1.22 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.19 2qao h HIS 15 CO 0.68 0.18 -0.84 0.28 -1.30 0.00 0.00 177.93 176.94 2qao n VAL 16 N -5.01 -1.94 -3.99 5.26 0.31 -1.26 -4.92 118.33 106.77 2qao n VAL 16 Ca -0.09 -0.48 -0.24 0.00 -0.01 0.00 0.00 64.34 63.53 2qao n VAL 16 Cb 0.22 -1.67 -0.17 0.00 -0.91 0.00 0.00 33.84 31.31 2qao n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qao s SER 17 N -3.84 1.73 0.45 4.52 0.01 -1.26 -4.99 113.70 110.32 2qao s SER 17 Ca 0.35 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2qao s SER 17 Cb -0.20 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2qao s SER 17 CO 0.81 -0.11 0.00 -0.62 0.41 0.00 0.00 173.24 173.73 2qao n GLU 18 N 4.71 -2.47 -0.02 12.44 -0.58 -1.26 -3.12 120.64 130.34 2qao n GLU 18 Ca -0.14 2.00 0.00 0.00 -0.42 0.00 0.00 57.16 58.59 2qao n GLU 18 Cb 0.50 -2.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.48 2qao n GLU 18 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qao n LYS 19 N -3.77 0.11 0.07 3.49 5.02 -1.26 -2.34 118.16 119.48 2qao n LYS 19 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2qao n LYS 19 Cb 0.51 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2qao n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qao n ALA 20 N 1.22 3.00 -0.21 7.82 0.00 -1.26 -4.15 120.51 126.93 2qao n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qao n ALA 20 Cb 0.05 0.20 0.07 0.00 0.00 0.00 0.00 19.45 19.77 2qao n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qao h SER 21 N 0.00 0.60 -0.03 0.00 4.64 -1.40 0.39 113.55 117.75 2qao h SER 21 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2qao h SER 21 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2qao h SER 21 CO 0.00 0.41 -0.14 0.71 -0.87 0.00 0.00 176.83 176.94 2qao h THR 22 N 0.73 1.49 -0.22 2.95 1.35 -1.77 -3.18 112.91 114.25 2qao h THR 22 Ca 0.25 -1.64 0.06 0.00 -0.55 0.00 0.00 66.41 64.53 2qao h THR 22 Cb 0.05 2.48 -0.07 0.00 -1.73 0.00 0.00 68.15 68.88 2qao h THR 22 CO -0.12 0.45 -0.34 0.00 -0.25 0.00 0.00 175.52 175.26 2qao h ALA 23 N 0.37 -0.36 0.00 6.62 0.00 -1.65 1.92 119.26 126.17 2qao h ALA 23 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qao h ALA 23 Cb 0.80 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2qao h ALA 23 CO 0.03 -0.80 -0.07 -1.33 0.00 0.00 0.00 179.25 177.07 2qao n MET 24 N -5.42 1.14 0.00 0.00 2.81 0.14 -2.55 117.12 113.24 2qao n MET 24 Ca -0.02 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 2qao n MET 24 Cb 0.34 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2qao n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qao n GLU 25 N 1.77 0.00 0.00 0.03 0.00 0.14 -4.29 120.64 118.28 2qao n GLU 25 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.30 2qao n GLU 25 Cb 0.55 -0.03 0.25 0.00 0.00 0.00 0.00 31.44 32.21 2qao n GLU 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qao n LYS 26 N -2.32 0.12 -0.05 5.31 4.76 0.61 -1.41 118.16 125.18 2qao n LYS 26 Ca 0.00 0.21 -0.06 0.00 -2.87 0.00 0.00 58.31 55.59 2qao n LYS 26 Cb 0.00 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 2qao n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qao n SER 27 N -1.32 3.16 0.00 4.39 2.88 -1.06 -5.06 113.62 116.61 2qao n SER 27 Ca 0.04 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2qao n SER 27 Cb 0.09 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2qao n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qao n ASN 28 N -2.60 0.00 -1.44 -3.46 6.94 -0.50 -5.10 115.26 109.10 2qao n ASN 28 Ca -0.16 0.00 0.18 0.00 -0.02 0.00 0.00 54.58 54.58 2qao n ASN 28 Cb 0.72 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.06 2qao n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qao n THR 29 N -0.71 -0.12 -3.78 5.53 -2.24 -1.26 -1.79 114.28 109.92 2qao n THR 29 Ca 0.00 0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 62.20 2qao n THR 29 Cb 0.00 -1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 67.08 2qao n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qao s ILE 30 N -3.40 -0.00 0.20 2.28 2.07 -1.26 -3.98 121.20 117.11 2qao s ILE 30 Ca 0.00 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 2qao s ILE 30 Cb 0.00 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 2qao s ILE 30 CO 0.00 0.01 0.10 0.68 -1.91 0.00 0.00 174.94 173.81 2qao s VAL 31 N 0.28 4.14 -0.30 4.00 -7.23 -1.26 0.11 120.40 120.13 2qao s VAL 31 Ca -0.01 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 58.57 2qao s VAL 31 Cb -0.03 -3.15 0.20 0.00 0.56 0.00 0.00 36.38 33.96 2qao s VAL 31 CO -0.01 -0.20 1.42 -1.48 -0.31 0.00 0.00 175.10 174.52 2qao s LEU 32 N -3.32 -0.03 0.08 1.32 2.34 -1.26 -3.23 118.68 114.57 2qao s LEU 32 Ca 0.31 0.05 -0.35 0.00 0.06 0.00 0.00 54.13 54.19 2qao s LEU 32 Cb -0.09 1.05 -0.15 0.00 -0.56 0.00 0.00 46.19 46.45 2qao s LEU 32 CO 0.22 -0.01 1.56 1.17 -1.06 0.00 0.00 176.35 178.23 2qao n LYS 33 N 1.96 1.80 -3.56 1.48 4.81 0.26 -1.94 118.16 122.98 2qao n LYS 33 Ca -0.12 0.65 -0.28 0.00 -0.87 0.00 0.00 58.31 57.69 2qao n LYS 33 Cb 0.57 -2.39 -0.12 0.00 0.02 0.00 0.00 35.03 33.11 2qao n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qao s VAL 34 N 1.40 0.88 0.00 3.15 -7.23 -1.12 -1.84 120.40 115.64 2qao s VAL 34 Ca 0.84 -2.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2qao s VAL 34 Cb -0.79 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2qao s VAL 34 CO 0.44 -1.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.18 2qao n ALA 35 N 3.25 0.00 0.00 1.32 0.00 -1.19 -4.51 120.51 119.39 2qao n ALA 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qao n ALA 35 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2qao n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qao n LYS 36 N 14.00 1.15 -0.04 0.00 0.00 -1.26 -3.24 118.16 128.78 2qao n LYS 36 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qao n LYS 36 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 35.03 34.89 2qao n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qao h ASP 37 N 0.00 0.00 0.00 3.14 3.45 -2.00 -3.47 116.42 117.53 2qao h ASP 37 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qao h ASP 37 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qao h ASP 37 CO 0.00 0.37 0.00 0.00 -1.57 0.00 0.00 179.24 178.04 2qao n ALA 38 N -2.62 0.00 0.00 3.45 0.00 -1.26 -4.92 120.51 115.17 2qao n ALA 38 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qao n ALA 38 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2qao n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qao n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.90 114.28 113.78 2qao n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qao n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qao n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qao n LYS 40 N 0.00 0.00 0.23 1.09 5.02 -1.26 -4.32 118.16 118.92 2qao n LYS 40 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2qao n LYS 40 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2qao n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qao h ALA 41 N 0.00 -0.63 0.00 7.82 0.00 -1.95 1.58 119.26 126.08 2qao h ALA 41 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qao h ALA 41 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qao h ALA 41 CO 0.00 -0.64 0.00 -0.85 0.00 0.00 0.00 179.25 177.76 2qao n GLU 42 N -5.22 0.58 -0.05 0.00 0.28 -1.26 0.83 120.64 115.80 2qao n GLU 42 Ca -0.10 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.84 2qao n GLU 42 Cb 0.29 -1.04 -0.06 0.00 1.43 0.00 0.00 31.44 32.06 2qao n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qao n ILE 43 N -0.54 0.65 0.14 3.84 5.41 -0.94 -4.01 119.36 123.91 2qao n ILE 43 Ca 0.01 -0.30 -0.07 0.00 1.00 0.00 0.00 62.75 63.40 2qao n ILE 43 Cb 0.01 -0.86 -0.03 0.00 -0.71 0.00 0.00 39.64 38.04 2qao n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qao h LYS 44 N 0.00 -0.42 -0.02 0.38 3.64 0.49 -2.12 116.57 118.52 2qao h LYS 44 Ca -0.25 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2qao h LYS 44 Cb 1.45 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2qao h LYS 44 CO -0.02 -0.28 0.27 0.00 -2.27 0.00 0.00 179.45 177.15 2qao h ALA 45 N -1.17 1.32 -0.03 5.00 0.00 0.21 0.35 119.26 124.93 2qao h ALA 45 Ca -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2qao h ALA 45 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qao h ALA 45 CO 0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 179.25 178.74 2qao h ALA 46 N 1.49 0.08 0.00 0.00 0.00 -1.67 -2.41 119.26 116.75 2qao h ALA 46 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qao h ALA 46 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qao h ALA 46 CO -0.00 0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.67 2qao n VAL 47 N -4.46 0.00 -0.01 0.00 0.31 0.10 -2.55 118.33 111.72 2qao n VAL 47 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.23 2qao n VAL 47 Cb 0.51 -0.53 -0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2qao n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qao h GLN 48 N 0.00 0.00 -0.15 5.55 1.08 -0.78 -3.16 115.11 117.64 2qao h GLN 48 Ca 0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2qao h GLN 48 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2qao h GLN 48 CO 0.00 0.00 -0.30 0.87 -0.95 0.00 0.00 178.83 178.45 2qao h LYS 49 N -0.18 -0.34 -6.82 1.46 1.79 -1.51 -2.39 116.57 108.57 2qao h LYS 49 Ca 0.00 0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 58.00 2qao h LYS 49 Cb 0.08 0.08 0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2qao h LYS 49 CO 0.00 -0.23 0.05 -0.51 -1.08 0.00 0.00 179.45 177.68 2qao s LEU 50 N -10.44 3.76 0.00 2.94 2.01 -1.06 -3.98 118.68 111.91 2qao s LEU 50 Ca -0.15 0.89 0.00 0.00 0.01 0.00 0.00 54.13 54.88 2qao s LEU 50 Cb 0.11 -3.81 0.00 0.00 0.01 0.00 0.00 46.19 42.50 2qao s LEU 50 CO 0.66 -0.47 0.00 0.49 1.01 0.00 0.00 176.35 178.05 2qao n PHE 51 N -1.86 0.00 -3.51 0.29 0.99 -1.26 -4.39 117.46 107.72 2qao n PHE 51 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.28 2qao n PHE 51 Cb 0.55 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.04 2qao n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qao n GLU 52 N 0.00 -1.39 -4.33 -1.08 4.71 -0.90 -5.01 120.64 112.64 2qao n GLU 52 Ca 0.00 0.98 -0.18 0.00 -0.01 0.00 0.00 57.16 57.95 2qao n GLU 52 Cb 0.00 -3.86 -0.10 0.00 -1.01 0.00 0.00 31.44 26.47 2qao n GLU 52 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qao s VAL 53 N -3.07 1.51 0.02 2.62 1.01 -1.20 -5.05 120.40 116.24 2qao s VAL 53 Ca 0.08 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 59.84 2qao s VAL 53 Cb -0.03 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2qao s VAL 53 CO 0.84 -0.57 1.13 -0.33 0.00 0.00 0.00 175.10 176.17 2qao h GLU 54 N 2.57 -0.18 -4.31 2.72 4.39 -1.89 -3.43 114.58 114.44 2qao h GLU 54 Ca -0.38 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2qao h GLU 54 Cb 1.21 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2qao h GLU 54 CO 0.63 -0.12 -0.66 0.28 -1.16 0.00 0.00 179.01 177.98 2qao n VAL 55 N -3.10 -8.37 0.05 3.13 0.31 -1.26 -4.82 118.33 104.27 2qao n VAL 55 Ca -0.02 1.22 -0.02 0.00 -0.01 0.00 0.00 64.34 65.51 2qao n VAL 55 Cb 0.10 -5.79 -0.01 0.00 -0.91 0.00 0.00 33.84 27.23 2qao n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qao h GLU 56 N 1.97 -0.14 0.00 5.55 4.81 -1.36 -3.45 114.58 121.96 2qao h GLU 56 Ca -0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2qao h GLU 56 Cb 0.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2qao h GLU 56 CO 0.06 -0.09 0.00 1.55 -0.73 0.00 0.00 179.01 179.79 2qao n VAL 57 N -2.78 0.00 0.00 0.32 3.14 -1.25 -5.05 118.33 112.72 2qao n VAL 57 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2qao n VAL 57 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 2qao n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qao n VAL 58 N 0.00 0.00 -3.75 1.55 3.14 -1.23 -4.43 118.33 113.61 2qao n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qao n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qao n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qao s ASN 59 N 0.00 5.15 0.36 6.55 0.01 -0.41 -4.94 114.94 121.67 2qao s ASN 59 Ca 0.00 -0.67 0.07 0.00 -0.71 0.00 0.00 52.86 51.55 2qao s ASN 59 Cb 0.00 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 2qao s ASN 59 CO 0.00 -0.18 0.43 0.42 -1.51 0.00 0.00 177.10 176.26 2qao s THR 60 N 1.51 3.52 -0.28 1.60 -4.23 -1.25 -4.07 115.64 112.44 2qao s THR 60 Ca 0.03 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.17 2qao s THR 60 Cb -0.17 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.59 2qao s THR 60 CO 0.03 -0.11 1.02 -1.48 -0.54 0.00 0.00 174.62 173.54 2qao s LEU 61 N -4.16 -0.47 0.72 4.79 0.05 -1.24 -4.93 118.68 113.44 2qao s LEU 61 Ca 0.46 0.86 -0.11 0.00 0.05 0.00 0.00 54.13 55.39 2qao s LEU 61 Cb -0.08 1.85 0.03 0.00 -2.05 0.00 0.00 46.19 45.94 2qao s LEU 61 CO 0.30 -0.15 1.10 -0.69 -0.55 0.00 0.00 176.35 176.37 2qao s VAL 62 N 0.50 3.24 -0.23 1.48 1.01 -1.26 -0.34 120.40 124.80 2qao s VAL 62 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2qao s VAL 62 Cb -0.05 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2qao s VAL 62 CO -0.09 -0.52 0.03 -0.69 0.00 0.00 0.00 175.10 173.84 2qao s VAL 63 N -3.38 0.79 0.34 2.92 1.01 0.16 -4.89 120.40 117.35 2qao s VAL 63 Ca 0.59 -0.86 0.24 0.00 0.00 0.00 0.00 61.98 61.95 2qao s VAL 63 Cb -0.11 -1.31 0.38 0.00 0.00 0.00 0.00 36.38 35.34 2qao s VAL 63 CO 0.51 -0.29 1.26 0.29 0.00 0.00 0.00 175.10 176.88 2qao n LYS 64 N 4.94 -0.03 0.00 2.72 4.01 -1.26 -2.96 118.16 125.57 2qao n LYS 64 Ca -0.08 1.03 0.00 0.00 -0.51 0.00 0.00 58.31 58.75 2qao n LYS 64 Cb 0.45 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 2qao n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qao n GLY 65 N -1.37 -1.69 3.71 0.72 0.00 -1.26 -4.40 105.19 100.89 2qao n GLY 65 Ca 0.32 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 2qao n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 66 N -2.37 2.26 -0.03 1.61 1.02 -1.26 -4.91 119.74 116.07 2qao s LYS 66 Ca 0.00 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2qao s LYS 66 Cb 0.00 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2qao s LYS 66 CO 0.00 0.08 0.00 0.54 -0.92 0.00 0.00 175.35 175.05 2qao s VAL 67 N -2.48 0.15 0.00 3.17 0.11 -1.26 0.49 120.40 120.58 2qao s VAL 67 Ca 0.37 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 2qao s VAL 67 Cb -0.01 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2qao s VAL 67 CO 0.22 0.13 0.00 0.29 -3.33 0.00 0.00 175.10 172.41 2qao n LYS 68 N 4.09 0.15 0.00 1.54 4.01 0.34 -4.95 118.16 123.33 2qao n LYS 68 Ca -0.27 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.53 2qao n LYS 68 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2qao n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qao n ARG 69 N 0.00 0.00 -2.54 1.97 3.00 -1.26 -1.36 116.66 116.47 2qao n ARG 69 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 2qao n ARG 69 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2qao n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qao s HIS 70 N -1.70 3.40 0.00 -0.14 -3.43 -1.26 -4.82 115.29 107.34 2qao s HIS 70 Ca 0.00 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 2qao s HIS 70 Cb 0.00 -2.51 0.00 0.00 -1.43 0.00 0.00 32.58 28.64 2qao s HIS 70 CO 0.00 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.61 2qao n GLY 71 N -2.40 2.73 0.65 -1.38 0.00 -1.26 -2.65 105.19 100.88 2qao n GLY 71 Ca 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2qao n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qao n GLN 72 N 14.00 1.83 -4.21 1.61 10.64 -1.26 -4.87 117.38 135.12 2qao n GLN 72 Ca 0.00 -1.27 -0.28 0.00 -1.83 0.00 0.00 57.00 53.62 2qao n GLN 72 Cb 0.00 -1.33 -0.08 0.00 -0.86 0.00 0.00 30.24 27.97 2qao n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2qao s ARG 73 N -1.60 2.32 0.18 2.61 1.81 -1.08 -5.14 118.95 118.05 2qao s ARG 73 Ca 0.28 -1.07 0.08 0.00 -1.72 0.00 0.00 55.73 53.30 2qao s ARG 73 Cb 0.15 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 2qao s ARG 73 CO 0.20 0.48 -0.17 -1.50 -0.68 0.00 0.00 175.30 173.63 2qao s ILE 74 N -1.54 1.79 -0.10 1.52 1.10 -1.26 -4.00 121.20 118.70 2qao s ILE 74 Ca 0.25 -2.04 -0.04 0.00 -0.51 0.00 0.00 60.65 58.31 2qao s ILE 74 Cb -0.10 -1.92 0.05 0.00 0.15 0.00 0.00 42.46 40.64 2qao s ILE 74 CO 0.17 -0.43 0.21 -0.83 -2.11 0.00 0.00 174.94 171.94 2qao s GLY 75 N -2.94 -0.04 0.18 1.50 0.00 -0.46 -4.93 107.32 100.63 2qao s GLY 75 Ca 0.18 0.76 0.04 0.00 0.00 0.00 0.00 44.72 45.70 2qao s GLY 75 CO 0.07 1.69 0.22 0.50 0.00 0.00 0.00 173.10 175.58 2qao s ARG 76 N 2.14 3.17 0.00 2.90 0.52 -1.26 -0.51 118.95 125.91 2qao s ARG 76 Ca 0.00 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2qao s ARG 76 Cb -0.12 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.57 2qao s ARG 76 CO -0.07 0.48 0.00 0.54 0.02 0.00 0.00 175.30 176.27 2qao n ARG 77 N -0.64 2.74 -4.83 3.54 1.74 0.18 -4.97 116.66 114.42 2qao n ARG 77 Ca -0.08 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.74 2qao n ARG 77 Cb 0.55 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.84 2qao n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qao s SER 78 N -1.00 2.50 0.45 0.55 0.01 -1.26 -4.86 113.70 110.09 2qao s SER 78 Ca 0.00 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.60 2qao s SER 78 Cb 0.00 -0.24 -0.10 0.00 0.21 0.00 0.00 66.02 65.89 2qao s SER 78 CO 0.00 0.21 0.95 -1.81 0.41 0.00 0.00 173.24 173.00 2qao s ASP 79 N -0.86 6.86 0.21 2.44 1.01 -1.26 -4.50 116.67 120.57 2qao s ASP 79 Ca 0.08 1.65 -0.09 0.00 0.71 0.00 0.00 52.55 54.89 2qao s ASP 79 Cb -0.09 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 2qao s ASP 79 CO 0.01 -0.41 0.35 -1.66 0.21 0.00 0.00 175.17 173.67 2qao s TRP 80 N -2.28 0.51 0.13 4.23 1.48 -1.16 -4.93 118.94 116.94 2qao s TRP 80 Ca 0.61 -0.84 0.03 0.00 -1.06 0.00 0.00 56.10 54.83 2qao s TRP 80 Cb -0.09 -0.03 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 2qao s TRP 80 CO 0.17 -0.83 0.22 0.21 -4.06 0.00 0.00 176.95 172.66 2qao s LYS 81 N -4.02 3.26 0.14 3.25 2.47 -1.20 0.37 119.74 124.01 2qao s LYS 81 Ca 0.23 -0.65 0.06 0.00 -1.56 0.00 0.00 55.97 54.05 2qao s LYS 81 Cb 0.02 -2.88 -0.04 0.00 -1.46 0.00 0.00 37.83 33.47 2qao s LYS 81 CO 0.06 0.53 0.04 0.15 0.16 0.00 0.00 175.35 176.29 2qao s LYS 82 N -3.03 2.60 0.00 4.03 -0.14 0.54 -2.81 119.74 120.93 2qao s LYS 82 Ca 0.33 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 2qao s LYS 82 Cb -0.11 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 2qao s LYS 82 CO 0.27 0.50 0.00 0.00 -0.76 0.00 0.00 175.35 175.35 2qao n ALA 83 N 0.08 0.00 -2.71 5.17 0.00 -0.82 -3.61 120.51 118.63 2qao n ALA 83 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 2qao n ALA 83 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qao n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qao n TYR 84 N -0.26 -2.35 -0.05 0.00 4.02 -0.91 -3.75 117.16 113.86 2qao n TYR 84 Ca 0.00 0.90 -0.14 0.00 -0.01 0.00 0.00 57.90 58.65 2qao n TYR 84 Cb 0.00 -3.54 -0.12 0.00 -0.02 0.00 0.00 39.34 35.65 2qao n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qao h VAL 85 N 0.42 1.67 -3.43 -0.72 2.07 0.45 -1.08 116.25 115.64 2qao h VAL 85 Ca 0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2qao h VAL 85 Cb 0.99 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2qao h VAL 85 CO 0.23 0.54 -0.65 0.35 0.02 0.00 0.00 177.57 178.06 2qao n THR 86 N -4.63 -9.79 -5.04 2.57 -2.24 -1.26 -3.54 114.28 90.35 2qao n THR 86 Ca -0.10 2.26 -0.32 0.00 -2.27 0.00 0.00 64.05 63.62 2qao n THR 86 Cb 0.45 -4.62 -0.16 0.00 -2.10 0.00 0.00 70.33 63.90 2qao n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qao s LEU 87 N -0.36 2.38 0.00 3.22 1.43 -1.26 -1.18 118.68 122.90 2qao s LEU 87 Ca 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2qao s LEU 87 Cb 0.00 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2qao s LEU 87 CO 0.00 0.20 0.00 0.29 0.23 0.00 0.00 176.35 177.07 2qao n LYS 88 N 3.25 0.00 0.00 1.70 4.76 -1.26 -4.62 118.16 122.00 2qao n LYS 88 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2qao n LYS 88 Cb 0.53 -0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 2qao n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qao n GLU 89 N 0.00 0.84 0.00 1.97 -0.58 -1.26 -4.60 120.64 117.01 2qao n GLU 89 Ca 0.00 -0.34 0.03 0.00 -0.42 0.00 0.00 57.16 56.44 2qao n GLU 89 Cb 0.00 -0.82 0.20 0.00 -0.57 0.00 0.00 31.44 30.25 2qao n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qao n GLY 90 N 0.22 -0.59 3.56 0.62 0.00 -1.26 -4.63 105.19 103.09 2qao n GLY 90 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2qao n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qao s GLN 91 N -2.00 2.53 0.00 1.61 -0.21 -1.26 -4.49 119.66 115.84 2qao s GLN 91 Ca 0.10 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2qao s GLN 91 Cb 0.05 -4.80 0.00 0.00 1.00 0.00 0.00 33.01 29.25 2qao s GLN 91 CO 0.08 -3.19 0.00 0.09 -2.12 0.00 0.00 175.29 170.14 2qao n ASN 92 N 13.79 2.10 0.00 5.90 5.03 -1.26 -5.16 115.26 135.66 2qao n ASN 92 Ca 0.33 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2qao n ASN 92 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2qao n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61