#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpm s SER 14 N 0.00 5.02 -0.06 4.39 0.01 -1.26 -5.07 113.70 116.73 1qpm s SER 14 Ca 0.00 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.27 1qpm s SER 14 Cb 0.00 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.59 1qpm s SER 14 CO 0.00 -1.60 -0.11 -0.63 0.41 0.00 0.00 173.24 171.32 1qpm s ILE 15 N -3.45 1.01 -0.01 1.44 1.01 -1.26 -5.13 121.20 114.81 1qpm s ILE 15 Ca 0.60 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.84 1qpm s ILE 15 Cb -0.11 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1qpm s ILE 15 CO 0.51 0.33 0.02 0.26 0.00 0.00 0.00 174.94 176.05 1qpm s TRP 16 N 0.70 0.01 -0.02 3.97 0.52 -1.26 -3.38 118.94 119.48 1qpm s TRP 16 Ca -0.14 0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.08 1qpm s TRP 16 Cb -0.15 -0.11 -0.00 0.00 -1.15 0.00 0.00 33.47 32.05 1qpm s TRP 16 CO 0.03 -0.04 -0.12 0.00 0.02 0.00 0.00 176.95 176.83 1qpm s SER 18 N -0.07 5.54 0.44 0.00 0.01 -1.26 -2.16 113.70 116.21 1qpm s SER 18 Ca 0.00 1.91 0.19 0.00 1.31 0.00 0.00 55.95 59.36 1qpm s SER 18 Cb -0.08 -2.54 1.13 0.00 0.21 0.00 0.00 66.02 64.74 1qpm s SER 18 CO 0.00 -1.33 1.88 1.55 0.41 0.00 0.00 173.24 175.75 1qpm h PRO 19 N 0.35 0.34 -0.50 12.44 0.13 -1.96 -0.48 132.00 142.32 1qpm h PRO 19 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qpm h PRO 19 Cb 1.23 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1qpm h PRO 19 CO 0.56 0.22 0.33 0.37 -0.23 0.00 0.00 178.00 179.26 1qpm h GLN 20 N 0.35 0.66 -0.97 0.86 5.75 -1.94 0.52 115.11 120.35 1qpm h GLN 20 Ca 0.44 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.90 1qpm h GLN 20 Cb 1.16 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.51 1qpm h GLN 20 CO -0.14 0.44 0.64 0.93 -2.65 0.00 0.00 178.83 178.05 1qpm h GLU 21 N 0.68 1.28 -0.16 1.69 4.39 -1.45 -2.31 114.58 118.71 1qpm h GLU 21 Ca 0.18 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1qpm h GLU 21 Cb -0.07 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.28 1qpm h GLU 21 CO -0.04 0.85 -0.03 0.82 -1.16 0.00 0.00 179.01 179.45 1qpm h ILE 22 N 1.32 1.28 -0.04 3.13 2.04 -0.92 -2.33 117.51 121.99 1qpm h ILE 22 Ca 0.35 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1qpm h ILE 22 Cb -0.15 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1qpm h ILE 22 CO -0.08 0.28 0.58 0.24 0.00 0.00 0.00 178.15 179.18 1qpm h MET 23 N 0.01 0.00 0.00 2.37 2.86 0.56 1.95 114.93 122.67 1qpm h MET 23 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1qpm h MET 23 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1qpm h MET 23 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 1qpm n ALA 24 N -1.78 2.31 -2.67 6.32 0.00 -0.87 -4.72 120.51 119.10 1qpm n ALA 24 Ca -0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1qpm n ALA 24 Cb 0.63 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1qpm n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qpm s ALA 25 N -3.00 3.51 0.28 0.00 0.00 0.66 -4.94 121.76 118.27 1qpm s ALA 25 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1qpm s ALA 25 Cb 0.19 -3.14 0.40 0.00 0.00 0.00 0.00 23.12 20.57 1qpm s ALA 25 CO 0.53 -0.58 1.92 0.38 0.00 0.00 0.00 175.76 178.01 1qpm h ASP 26 N 7.32 0.94 -0.05 0.00 2.03 -1.84 -1.57 116.42 123.24 1qpm h ASP 26 Ca -0.31 -0.06 0.02 0.00 -0.73 0.00 0.00 57.03 55.95 1qpm h ASP 26 Cb 1.14 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1qpm h ASP 26 CO 0.81 0.74 0.22 1.23 -1.03 0.00 0.00 179.24 181.21 1qpm h GLY 27 N 1.11 0.00 -6.94 7.15 0.00 -1.94 -3.19 103.07 99.25 1qpm h GLY 27 Ca 0.28 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.99 1qpm h GLY 27 CO -0.05 0.00 -0.65 1.06 0.00 0.00 0.00 176.54 176.90 1qpm s MET 28 N -4.24 2.18 0.73 4.80 -1.94 -0.59 -5.10 119.30 115.13 1qpm s MET 28 Ca -0.04 -3.13 -0.10 0.00 -1.71 0.00 0.00 55.69 50.71 1qpm s MET 28 Cb 0.11 -3.04 0.04 0.00 2.01 0.00 0.00 34.83 33.95 1qpm s MET 28 CO 0.38 -1.31 1.09 -1.25 -0.01 0.00 0.00 175.02 173.92 1qpm s PRO 29 N -1.19 2.46 0.00 2.03 0.04 -1.21 -4.62 135.00 132.51 1qpm s PRO 29 Ca 0.26 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1qpm s PRO 29 Cb -0.03 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1qpm s PRO 29 CO -0.17 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1qpm n GLY 30 N -3.05 1.92 0.00 0.56 0.00 -1.26 -4.31 105.19 99.05 1qpm n GLY 30 Ca 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1qpm n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpm n SER 31 N 0.00 -0.76 -0.13 1.61 3.41 -1.26 -4.58 113.62 111.91 1qpm n SER 31 Ca 0.00 -0.48 -0.05 0.00 -0.26 0.00 0.00 58.87 58.08 1qpm n SER 31 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1qpm n SER 31 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qpm h VAL 32 N -1.30 0.92 -0.96 -3.33 2.07 -1.96 -1.65 116.25 110.05 1qpm h VAL 32 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1qpm h VAL 32 Cb 0.00 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1qpm h VAL 32 CO 0.00 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.28 1qpm h ALA 33 N 1.25 1.28 -0.99 1.67 0.00 -1.99 -1.90 119.26 118.59 1qpm h ALA 33 Ca 0.19 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1qpm h ALA 33 Cb 0.13 -0.39 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1qpm h ALA 33 CO -0.16 0.65 0.64 0.78 0.00 0.00 0.00 179.25 181.16 1qpm h GLY 34 N 1.31 1.50 1.03 0.00 0.00 -1.60 -0.07 103.07 105.24 1qpm h GLY 34 Ca 0.35 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1qpm h GLY 34 CO -0.07 0.31 0.48 -2.08 0.00 0.00 0.00 176.54 175.18 1qpm h VAL 35 N 1.13 1.26 -0.80 4.60 2.07 -0.87 -2.09 116.25 121.54 1qpm h VAL 35 Ca 0.43 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1qpm h VAL 35 Cb 0.21 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1qpm h VAL 35 CO -0.18 0.29 0.39 0.45 0.02 0.00 0.00 177.57 178.54 1qpm h HIS 36 N 1.23 1.14 -0.12 1.57 3.86 -0.79 -1.85 115.15 120.19 1qpm h HIS 36 Ca 0.31 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1qpm h HIS 36 Cb 0.03 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1qpm h HIS 36 CO 0.01 0.82 -0.02 -0.92 0.86 0.00 0.00 177.93 178.68 1qpm h TYR 37 N 1.14 -0.04 -0.01 2.45 3.20 -0.59 0.54 116.97 123.65 1qpm h TYR 37 Ca 0.28 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1qpm h TYR 37 Cb 0.10 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1qpm h TYR 37 CO 0.01 -0.04 0.01 -0.09 -1.64 0.00 0.00 178.16 176.41 1qpm h ARG 38 N 0.02 0.02 -0.10 1.82 2.43 -1.28 -1.62 114.38 115.66 1qpm h ARG 38 Ca 0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1qpm h ARG 38 Cb 0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1qpm h ARG 38 CO -0.12 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.40 1qpm n ALA 39 N -2.11 2.45 -0.03 2.80 0.00 -0.72 -3.59 120.51 119.30 1qpm n ALA 39 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1qpm n ALA 39 Cb 0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 1qpm n ALA 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qpm h ASN 40 N 0.01 0.95 -0.23 0.00 -1.24 0.11 -3.26 115.58 111.91 1qpm h ASN 40 Ca 0.00 -0.62 -0.03 0.00 0.71 0.00 0.00 56.30 56.36 1qpm h ASN 40 Cb 0.05 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 1qpm h ASN 40 CO 0.00 1.41 0.03 0.58 -1.29 0.00 0.00 177.43 178.16 1qpm h VAL 41 N 0.54 1.23 -3.72 2.57 2.07 -1.72 -3.44 116.25 113.79 1qpm h VAL 41 Ca -0.05 -0.78 -0.49 0.00 0.82 0.00 0.00 66.70 66.20 1qpm h VAL 41 Cb 1.38 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1qpm h VAL 41 CO 0.16 0.24 0.14 -1.10 0.02 0.00 0.00 177.57 177.03 1qpm s GLN 42 N -5.15 3.71 -1.12 1.57 -0.21 -1.23 -4.99 119.66 112.24 1qpm s GLN 42 Ca -0.14 0.43 -0.05 0.00 0.02 0.00 0.00 55.36 55.63 1qpm s GLN 42 Cb 0.07 -2.36 0.28 0.00 1.00 0.00 0.00 33.01 32.00 1qpm s GLN 42 CO 0.73 -0.12 1.61 0.41 -2.12 0.00 0.00 175.29 175.81 1qpm n GLY 43 N -1.64 5.21 3.62 3.09 0.00 -1.26 -4.89 105.19 109.32 1qpm n GLY 43 Ca 0.02 -2.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.17 1qpm n GLY 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qpm n TRP 44 N 1.62 0.48 -2.45 1.61 7.02 -1.26 -4.89 117.44 119.56 1qpm n TRP 44 Ca 0.31 0.37 -0.43 0.00 -1.02 0.00 0.00 57.50 56.73 1qpm n TRP 44 Cb 0.33 -1.99 -0.02 0.00 -2.42 0.00 0.00 31.31 27.20 1qpm n TRP 44 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1qpm s THR 45 N -2.38 4.33 0.05 -0.99 2.01 -1.26 -5.00 115.64 112.39 1qpm s THR 45 Ca 0.67 1.61 0.03 0.00 0.31 0.00 0.00 61.69 64.32 1qpm s THR 45 Cb -0.25 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1qpm s THR 45 CO 0.57 -0.14 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.72 1qpm s LYS 46 N 3.46 0.64 -0.04 4.92 1.02 -1.26 -3.17 119.74 125.32 1qpm s LYS 46 Ca 0.53 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.66 1qpm s LYS 46 Cb -0.21 -0.52 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1qpm s LYS 46 CO 0.13 0.11 0.23 -0.98 -0.92 0.00 0.00 175.35 173.92 1qpm s ARG 47 N -1.45 0.45 -0.34 1.68 1.70 -1.20 -5.01 118.95 114.79 1qpm s ARG 47 Ca -0.05 -0.05 -0.23 0.00 -0.47 0.00 0.00 55.73 54.93 1qpm s ARG 47 Cb -0.09 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1qpm s ARG 47 CO 0.01 -0.10 0.76 0.21 -1.08 0.00 0.00 175.30 175.09 1qpm s LYS 48 N -0.77 3.84 -0.20 3.89 2.20 -1.26 -2.89 119.74 124.54 1qpm s LYS 48 Ca -0.09 0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 55.74 1qpm s LYS 48 Cb -0.05 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1qpm s LYS 48 CO 0.02 -0.75 0.48 0.21 -0.36 0.00 0.00 175.35 174.95 1qpm s LYS 49 N 2.96 4.17 0.00 4.03 2.20 0.49 -4.93 119.74 128.67 1qpm s LYS 49 Ca 0.30 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1qpm s LYS 49 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1qpm s LYS 49 CO 0.15 -0.13 0.74 0.39 -0.36 0.00 0.00 175.35 176.13 1qpm n GLU 50 N 4.74 0.89 0.19 4.03 -0.58 -1.26 -1.88 120.64 126.77 1qpm n GLU 50 Ca -0.06 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.60 1qpm n GLU 50 Cb 0.51 -1.19 -0.04 0.00 -0.57 0.00 0.00 31.44 30.14 1qpm n GLU 50 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1qpm h GLY 51 N 4.07 -0.63 -4.65 0.62 0.00 -1.91 -3.42 103.07 97.15 1qpm h GLY 51 Ca 0.00 0.25 -0.58 0.00 0.00 0.00 0.00 47.33 47.00 1qpm h GLY 51 CO 0.00 -0.22 -0.04 -1.34 0.00 0.00 0.00 176.54 174.93 1qpm s VAL 52 N -4.14 4.76 -0.04 4.60 -7.23 -1.26 -4.99 120.40 112.09 1qpm s VAL 52 Ca -0.08 1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 61.02 1qpm s VAL 52 Cb 0.01 -3.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 1qpm s VAL 52 CO 0.23 0.56 0.83 -0.54 -0.31 0.00 0.00 175.10 175.87 1qpm s LYS 53 N -1.11 4.48 0.00 4.82 -0.14 -1.26 -2.87 119.74 123.66 1qpm s LYS 53 Ca 0.29 1.13 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 1qpm s LYS 53 Cb -0.19 -3.46 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1qpm s LYS 53 CO 0.19 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.17 1qpm n GLY 54 N 3.04 2.06 0.11 -3.33 0.00 -1.26 -4.67 105.19 101.13 1qpm n GLY 54 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1qpm n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qpm h GLY 55 N 0.00 0.06 -5.46 -0.02 0.00 -1.99 -3.48 103.07 92.19 1qpm h GLY 55 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1qpm h GLY 55 CO 0.00 0.10 -0.40 0.28 0.00 0.00 0.00 176.54 176.52 1qpm n LYS 56 N -3.60 -1.95 -2.00 4.80 4.76 -1.14 -4.90 118.16 114.14 1qpm n LYS 56 Ca -0.01 1.81 -0.39 0.00 -2.87 0.00 0.00 58.31 56.84 1qpm n LYS 56 Cb 0.79 -5.34 0.01 0.00 -1.84 0.00 0.00 35.03 28.65 1qpm n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qpm s ALA 57 N -2.69 3.13 0.10 7.82 0.00 -0.79 -4.79 121.76 124.54 1qpm s ALA 57 Ca 0.16 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.39 1qpm s ALA 57 Cb -0.04 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1qpm s ALA 57 CO 0.78 -0.95 -0.11 0.14 0.00 0.00 0.00 175.76 175.62 1qpm s VAL 58 N -1.31 0.98 0.10 0.00 -7.23 -1.26 0.19 120.40 111.86 1qpm s VAL 58 Ca 0.61 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1qpm s VAL 58 Cb -0.38 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1qpm s VAL 58 CO 0.47 -0.51 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.06 1qpm s GLU 59 N -2.64 0.86 0.03 4.82 2.02 -1.14 -4.11 118.70 118.53 1qpm s GLU 59 Ca 0.05 -1.25 0.06 0.00 0.02 0.00 0.00 54.97 53.84 1qpm s GLU 59 Cb -0.04 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.77 1qpm s GLU 59 CO 0.01 0.04 -0.17 0.71 0.02 0.00 0.00 175.26 175.86 1qpm s TYR 60 N -3.00 1.52 -0.31 1.61 1.51 -0.92 -3.26 117.35 114.50 1qpm s TYR 60 Ca 0.09 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.60 1qpm s TYR 60 Cb 0.01 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1qpm s TYR 60 CO -0.02 0.05 0.62 0.34 -1.11 0.00 0.00 175.55 175.43 1qpm s ASP 61 N -1.04 6.47 0.45 2.29 -1.08 -1.19 -1.50 116.67 121.07 1qpm s ASP 61 Ca 0.05 0.37 0.19 0.00 -0.52 0.00 0.00 52.55 52.64 1qpm s ASP 61 Cb -0.08 -2.32 1.08 0.00 -1.46 0.00 0.00 42.92 40.14 1qpm s ASP 61 CO 0.01 -0.48 1.97 0.58 0.52 0.00 0.00 175.17 177.78 1qpm h VAL 62 N 5.55 0.96 0.00 1.11 2.07 -1.94 -2.06 116.25 121.95 1qpm h VAL 62 Ca -0.27 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1qpm h VAL 62 Cb 1.12 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1qpm h VAL 62 CO 0.80 0.21 0.00 0.23 0.02 0.00 0.00 177.57 178.82 1qpm n MET 63 N -4.01 0.57 -0.00 1.57 2.81 -1.26 -2.25 117.12 114.54 1qpm n MET 63 Ca -0.02 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1qpm n MET 63 Cb 0.29 -1.14 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 1qpm n MET 63 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1qpm n SER 64 N -0.64 2.44 -4.79 7.83 7.64 -0.77 -5.01 113.62 120.32 1qpm n SER 64 Ca 0.04 -0.22 -0.36 0.00 1.01 0.00 0.00 58.87 59.34 1qpm n SER 64 Cb 0.02 1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 64.35 1qpm n SER 64 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1qpm s MET 65 N -2.16 4.48 1.00 1.43 -1.94 -0.95 -4.95 119.30 116.20 1qpm s MET 65 Ca -0.01 1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 55.06 1qpm s MET 65 Cb 0.04 -2.61 -0.12 0.00 2.01 0.00 0.00 34.83 34.15 1qpm s MET 65 CO 0.27 0.19 -0.69 -2.30 -0.01 0.00 0.00 175.02 172.47 1qpm n PRO 66 N 0.20 -0.09 -0.35 2.03 -0.02 -1.26 -4.47 135.00 131.03 1qpm n PRO 66 Ca 0.03 -0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1qpm n PRO 66 Cb 0.51 -1.15 0.10 0.00 -0.02 0.00 0.00 33.50 32.94 1qpm n PRO 66 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1qpm h THR 67 N -1.12 1.26 -0.27 3.45 2.02 -1.97 -1.76 112.91 114.52 1qpm h THR 67 Ca -0.44 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.17 1qpm h THR 67 Cb 1.31 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1qpm h THR 67 CO 0.25 0.28 0.14 0.11 0.37 0.00 0.00 175.52 176.67 1qpm h LYS 68 N 1.30 0.28 -0.54 6.66 1.57 -2.00 0.77 116.57 124.62 1qpm h LYS 68 Ca 0.33 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1qpm h LYS 68 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1qpm h LYS 68 CO -0.06 0.19 -0.03 0.93 -0.57 0.00 0.00 179.45 179.91 1qpm h GLU 69 N 0.29 0.96 -0.99 3.15 5.08 -1.82 -2.77 114.58 118.49 1qpm h GLU 69 Ca 0.11 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1qpm h GLU 69 Cb 0.03 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1qpm h GLU 69 CO -0.07 0.99 0.65 0.00 -1.00 0.00 0.00 179.01 179.58 1qpm h ARG 70 N 0.84 1.31 -1.00 2.33 3.08 -0.88 -1.96 114.38 118.10 1qpm h ARG 70 Ca 0.15 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qpm h ARG 70 Cb 0.57 -0.29 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1qpm h ARG 70 CO 0.03 0.87 0.67 1.49 -1.07 0.00 0.00 179.97 181.96 1qpm h GLU 71 N 1.35 1.32 -0.27 0.04 4.57 -0.59 -2.04 114.58 118.95 1qpm h GLU 71 Ca 0.36 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1qpm h GLU 71 Cb -0.15 -0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 28.13 1qpm h GLU 71 CO -0.08 0.87 -0.21 1.96 -1.18 0.00 0.00 179.01 180.37 1qpm h GLN 72 N 1.36 0.50 -0.00 1.92 1.08 -1.12 -1.32 115.11 117.53 1qpm h GLN 72 Ca 0.37 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1qpm h GLN 72 Cb -0.15 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 1qpm h GLN 72 CO -0.08 0.69 -0.00 0.28 -0.95 0.00 0.00 178.83 178.77 1qpm h VAL 73 N 0.45 1.36 -0.71 -0.54 2.07 -0.94 -1.16 116.25 116.78 1qpm h VAL 73 Ca 0.07 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1qpm h VAL 73 Cb 0.62 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1qpm h VAL 73 CO 0.04 0.27 0.39 0.40 0.02 0.00 0.00 177.57 178.70 1qpm h ILE 74 N -0.44 1.22 -1.01 4.57 5.03 -1.40 -2.09 117.51 123.38 1qpm h ILE 74 Ca 0.00 -0.54 0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1qpm h ILE 74 Cb 0.45 0.28 -0.05 0.00 -3.03 0.00 0.00 36.82 34.47 1qpm h ILE 74 CO 0.00 0.24 0.67 0.00 -0.68 0.00 0.00 178.15 178.38 1qpm h ALA 75 N 1.20 1.29 -0.14 1.87 0.00 -1.19 0.57 119.26 122.86 1qpm h ALA 75 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qpm h ALA 75 Cb 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1qpm h ALA 75 CO -0.04 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.21 1qpm h HIS 76 N 1.36 0.17 -0.98 0.00 -0.00 -0.54 -1.11 115.15 114.05 1qpm h HIS 76 Ca 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.75 1qpm h HIS 76 Cb -0.15 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.15 1qpm h HIS 76 CO -0.00 0.11 0.63 -0.07 -0.00 0.00 0.00 177.93 178.60 1qpm h LEU 77 N 0.18 1.14 -1.07 0.26 3.38 -0.99 0.69 115.31 118.90 1qpm h LEU 77 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qpm h LEU 77 Cb -0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1qpm h LEU 77 CO -0.01 0.84 0.18 0.61 0.09 0.00 0.00 178.44 180.15 1qpm n GLY 78 N -1.34 -0.70 0.00 0.83 0.00 0.15 0.17 105.19 104.29 1qpm n GLY 78 Ca 0.11 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1qpm n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpm n LEU 79 N -2.11 0.02 0.00 0.99 4.77 0.23 -4.06 117.00 116.84 1qpm n LEU 79 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1qpm n LEU 79 Cb 0.21 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1qpm n LEU 79 CO 0.07 0.01 -0.06 -0.24 -1.33 0.00 0.00 177.39 175.84 1qpm n SER 80 N -1.45 0.60 0.00 -1.43 2.88 0.22 -5.15 113.62 109.29 1qpm n SER 80 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1qpm n SER 80 Cb 0.32 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1qpm n SER 80 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88