#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 5.38 -0.05 4.39 0.01 -1.26 -5.08 113.70 117.09 1qpm s SER 14 Ca 0.00 1.08 0.02 0.00 1.31 0.00 0.00 55.95 58.35 1qpm s SER 14 Cb 0.00 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.39 1qpm s SER 14 CO 0.00 -1.37 -0.08 -0.63 0.41 0.00 0.00 173.24 171.57 1qpm s ILE 15 N -3.36 0.81 -0.03 1.44 1.01 -1.26 -5.14 121.20 114.67 1qpm s ILE 15 Ca 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1qpm s ILE 15 Cb -0.11 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.61 1qpm s ILE 15 CO 0.51 0.28 0.08 0.26 0.00 0.00 0.00 174.94 176.07 1qpm s TRP 16 N 0.75 -0.06 0.04 3.97 0.52 -1.26 -3.66 118.94 119.24 1qpm s TRP 16 Ca -0.13 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1qpm s TRP 16 Cb -0.15 -0.09 -0.02 0.00 -1.15 0.00 0.00 33.47 32.06 1qpm s TRP 16 CO 0.02 -0.09 -0.09 0.00 0.02 0.00 0.00 176.95 176.81 1qpm s SER 18 N -1.33 3.88 0.30 0.00 1.04 -1.26 -0.92 113.70 115.40 1qpm s SER 18 Ca -0.06 0.89 0.12 0.00 0.48 0.00 0.00 55.95 57.38 1qpm s SER 18 Cb -0.09 -1.44 0.46 0.00 0.10 0.00 0.00 66.02 65.05 1qpm s SER 18 CO 0.01 -2.31 1.66 1.55 0.98 0.00 0.00 173.24 175.13 1qpm h PRO 19 N -1.34 0.00 -0.34 4.02 0.13 -1.96 -2.84 132.00 129.67 1qpm h PRO 19 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qpm h PRO 19 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1qpm h PRO 19 CO 0.63 0.55 0.23 0.37 -0.23 0.00 0.00 178.00 179.55 1qpm h GLN 20 N 0.00 0.45 -0.86 0.86 4.15 -1.95 1.64 115.11 119.40 1qpm h GLN 20 Ca -0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1qpm h GLN 20 Cb 0.99 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 1qpm h GLN 20 CO 0.07 0.30 0.53 0.93 -1.93 0.00 0.00 178.83 178.74 1qpm h GLU 21 N 0.46 1.17 -0.31 1.69 5.08 -1.91 -2.11 114.58 118.64 1qpm h GLU 21 Ca 0.13 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1qpm h GLU 21 Cb -0.05 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 1qpm h GLU 21 CO -0.03 0.81 -0.31 0.82 -1.00 0.00 0.00 179.01 179.30 1qpm h ILE 22 N 1.18 1.29 -0.04 3.13 2.04 -1.03 -2.52 117.51 121.58 1qpm h ILE 22 Ca 0.31 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1qpm h ILE 22 Cb -0.07 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1qpm h ILE 22 CO -0.06 0.48 0.51 0.24 0.00 0.00 0.00 178.15 179.32 1qpm h MET 23 N 0.53 0.00 -0.00 2.37 2.86 0.31 1.62 114.93 122.62 1qpm h MET 23 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1qpm h MET 23 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1qpm h MET 23 CO 0.08 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.04 1qpm n ALA 24 N -1.83 2.34 -2.63 6.32 0.00 -0.95 -4.70 120.51 119.06 1qpm n ALA 24 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1qpm n ALA 24 Cb 0.55 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 3.60 0.25 0.00 0.00 0.55 -4.93 121.76 118.24 1qpm s ALA 25 Ca 0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1qpm s ALA 25 Cb 0.19 -3.23 0.26 0.00 0.00 0.00 0.00 23.12 20.34 1qpm s ALA 25 CO 0.53 -0.99 1.93 0.22 0.00 0.00 0.00 175.76 177.45 1qpm h ASP 26 N 7.87 1.16 0.00 0.00 1.82 -1.84 -1.41 116.42 124.01 1qpm h ASP 26 Ca -0.24 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1qpm h ASP 26 Cb 1.10 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1qpm h ASP 26 CO 0.85 0.84 0.31 0.61 -1.61 0.00 0.00 179.24 180.24 1qpm n GLY 27 N -1.38 -0.44 2.66 -0.78 0.00 -1.26 -3.07 105.19 100.92 1qpm n GLY 27 Ca 0.12 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1qpm n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qpm s MET 28 N -2.97 1.59 0.78 1.61 -1.94 -0.53 -5.12 119.30 112.72 1qpm s MET 28 Ca -0.01 -2.56 -0.12 0.00 -1.71 0.00 0.00 55.69 51.30 1qpm s MET 28 Cb 0.02 -2.39 0.06 0.00 2.01 0.00 0.00 34.83 34.53 1qpm s MET 28 CO 0.06 -1.30 1.15 -1.25 -0.01 0.00 0.00 175.02 173.67 1qpm s PRO 29 N -0.45 2.23 0.00 2.03 0.04 -1.17 -4.78 135.00 132.90 1qpm s PRO 29 Ca 0.26 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1qpm s PRO 29 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1qpm s PRO 29 CO -0.14 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1qpm n GLY 30 N -3.15 2.44 0.00 0.56 0.00 -1.26 -4.31 105.19 99.47 1qpm n GLY 30 Ca 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.63 -0.03 1.61 3.41 -1.26 -4.48 113.62 112.23 1qpm n SER 31 Ca 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.14 1qpm n SER 31 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.15 0.90 -0.87 -3.33 2.07 -1.96 -1.21 116.25 110.70 1qpm h VAL 32 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1qpm h VAL 32 Cb 0.00 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1qpm h VAL 32 CO 0.00 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.16 1qpm h ALA 33 N 1.14 1.34 -1.00 1.67 0.00 -1.96 -1.77 119.26 118.68 1qpm h ALA 33 Ca 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1qpm h ALA 33 Cb 0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1qpm h ALA 33 CO -0.12 0.60 0.65 0.78 0.00 0.00 0.00 179.25 181.15 1qpm h GLY 34 N 1.20 1.55 1.02 0.00 0.00 -1.53 0.22 103.07 105.52 1qpm h GLY 34 Ca 0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1qpm h GLY 34 CO -0.06 0.30 0.25 -2.08 0.00 0.00 0.00 176.54 174.95 1qpm h VAL 35 N 1.14 1.24 -0.68 4.60 2.07 -0.45 -2.18 116.25 121.98 1qpm h VAL 35 Ca 0.45 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1qpm h VAL 35 Cb 0.24 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1qpm h VAL 35 CO -0.19 0.31 0.44 0.45 0.02 0.00 0.00 177.57 178.60 1qpm h HIS 36 N 0.96 0.87 -0.27 1.57 3.86 -0.63 -1.63 115.15 119.88 1qpm h HIS 36 Ca 0.22 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1qpm h HIS 36 Cb 0.23 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1qpm h HIS 36 CO 0.02 0.55 0.09 -0.92 0.86 0.00 0.00 177.93 178.53 1qpm h TYR 37 N 0.93 0.16 -0.35 2.45 3.20 -0.50 0.81 116.97 123.67 1qpm h TYR 37 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1qpm h TYR 37 Cb -0.09 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1qpm h TYR 37 CO 0.00 0.07 0.12 -0.09 -1.64 0.00 0.00 178.16 176.62 1qpm h ARG 38 N 0.21 0.54 0.00 1.82 2.43 -1.33 -1.13 114.38 116.92 1qpm h ARG 38 Ca 0.12 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qpm h ARG 38 Cb 0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1qpm h ARG 38 CO -0.12 0.55 0.00 0.00 -1.51 0.00 0.00 179.97 178.88 1qpm n ALA 39 N -2.30 2.31 -0.03 2.80 0.00 -0.66 -3.08 120.51 119.55 1qpm n ALA 39 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1qpm n ALA 39 Cb 0.16 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.16 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 0.00 0.24 -0.33 0.00 -1.24 0.20 -3.31 115.58 111.14 1qpm h ASN 40 Ca 0.00 -0.74 -0.14 0.00 0.71 0.00 0.00 56.30 56.12 1qpm h ASN 40 Cb 0.00 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1qpm h ASN 40 CO 0.00 0.95 -0.36 0.58 -1.29 0.00 0.00 177.43 177.31 1qpm h VAL 41 N -0.45 1.29 -4.34 2.57 2.07 -1.60 -3.44 116.25 112.34 1qpm h VAL 41 Ca -0.03 -1.53 -0.51 0.00 0.82 0.00 0.00 66.70 65.45 1qpm h VAL 41 Cb 0.97 1.51 0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1qpm h VAL 41 CO 0.05 0.50 0.41 -1.10 0.02 0.00 0.00 177.57 177.45 1qpm s GLN 42 N -4.34 3.64 -1.12 1.57 -0.21 -1.23 -4.97 119.66 113.00 1qpm s GLN 42 Ca -0.12 0.77 -0.03 0.00 0.02 0.00 0.00 55.36 56.01 1qpm s GLN 42 Cb 0.10 -2.09 0.26 0.00 1.00 0.00 0.00 33.01 32.28 1qpm s GLN 42 CO 0.86 -0.54 1.90 0.41 -2.12 0.00 0.00 175.29 175.80 1qpm n GLY 43 N -2.62 5.68 3.77 3.09 0.00 -1.26 -4.85 105.19 109.00 1qpm n GLY 43 Ca 0.06 -2.44 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 1qpm n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qpm s TRP 44 N -3.03 2.67 -0.12 1.61 0.52 -1.26 -4.95 118.94 114.38 1qpm s TRP 44 Ca 0.41 1.51 -0.30 0.00 0.02 0.00 0.00 56.10 57.75 1qpm s TRP 44 Cb 0.16 -3.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.02 1qpm s TRP 44 CO -0.07 -1.84 1.16 0.99 0.02 0.00 0.00 176.95 177.21 1qpm s THR 45 N -1.56 4.41 0.09 2.01 2.01 -1.26 -5.01 115.64 116.33 1qpm s THR 45 Ca 0.69 1.71 0.05 0.00 0.31 0.00 0.00 61.69 64.45 1qpm s THR 45 Cb -0.30 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1qpm s THR 45 CO 0.35 -0.07 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.53 1qpm s LYS 46 N 2.70 0.90 -0.11 4.92 1.02 -1.26 -3.13 119.74 124.78 1qpm s LYS 46 Ca 0.53 -1.08 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 1qpm s LYS 46 Cb -0.21 -0.85 0.04 0.00 -0.52 0.00 0.00 37.83 36.29 1qpm s LYS 46 CO 0.17 0.18 0.26 -0.98 -0.92 0.00 0.00 175.35 174.06 1qpm s ARG 47 N -2.15 0.25 0.01 1.68 1.04 -1.16 -5.04 118.95 113.58 1qpm s ARG 47 Ca 0.03 0.49 -0.12 0.00 -1.04 0.00 0.00 55.73 55.09 1qpm s ARG 47 Cb -0.08 -0.03 -0.05 0.00 -2.04 0.00 0.00 34.95 32.75 1qpm s ARG 47 CO 0.02 -0.12 0.37 0.15 -0.04 0.00 0.00 175.30 175.68 1qpm s LYS 48 N 0.92 3.79 0.02 3.89 1.02 -1.26 -3.19 119.74 124.92 1qpm s LYS 48 Ca -0.06 0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 1qpm s LYS 48 Cb -0.08 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1qpm s LYS 48 CO -0.06 0.66 0.20 0.15 -0.92 0.00 0.00 175.35 175.37 1qpm s LYS 49 N -1.40 0.62 -1.36 1.68 -0.14 -0.86 -4.89 119.74 113.40 1qpm s LYS 49 Ca 0.26 -0.48 -0.09 0.00 -1.36 0.00 0.00 55.97 54.30 1qpm s LYS 49 Cb -0.15 0.26 0.01 0.00 -1.68 0.00 0.00 37.83 36.27 1qpm s LYS 49 CO 0.14 -0.17 1.19 0.39 -0.76 0.00 0.00 175.35 176.14 1qpm n GLU 50 N 1.03 -7.98 -3.56 1.68 1.02 -1.26 -3.13 120.64 108.43 1qpm n GLU 50 Ca -0.21 0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 57.52 1qpm n GLU 50 Cb 0.57 -5.88 0.01 0.00 -0.02 0.00 0.00 31.44 26.12 1qpm n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qpm n GLY 51 N -2.02 -0.90 3.65 0.62 0.00 -1.26 -4.69 105.19 100.59 1qpm n GLY 51 Ca 0.01 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 1qpm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpm s VAL 52 N -2.55 4.20 -0.93 1.61 0.11 -1.22 -4.85 120.40 116.77 1qpm s VAL 52 Ca 0.12 1.42 0.22 0.00 -2.93 0.00 0.00 61.98 60.81 1qpm s VAL 52 Cb -0.02 -4.03 -0.19 0.00 -1.53 0.00 0.00 36.38 30.62 1qpm s VAL 52 CO 0.86 -0.25 0.98 1.17 -3.33 0.00 0.00 175.10 174.54 1qpm n LYS 53 N 6.88 0.05 0.00 1.54 4.81 -1.26 -4.77 118.16 125.40 1qpm n LYS 53 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1qpm n LYS 53 Cb 0.45 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.00 1qpm n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qpm n GLY 54 N 1.48 0.00 0.00 3.14 0.00 -1.26 -5.11 105.19 103.44 1qpm n GLY 54 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qpm n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpm n GLY 55 N 0.00 1.35 7.00 -0.02 0.00 -1.26 -5.03 105.19 107.23 1qpm n GLY 55 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1qpm n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qpm n LYS 56 N 0.00 0.00 -3.06 1.61 5.02 -1.26 -4.33 118.16 116.14 1qpm n LYS 56 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1qpm n LYS 56 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1qpm n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qpm s ALA 57 N -1.51 3.62 -0.03 7.82 0.00 -1.18 -5.03 121.76 125.44 1qpm s ALA 57 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1qpm s ALA 57 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1qpm s ALA 57 CO 0.00 -0.82 0.07 0.08 0.00 0.00 0.00 175.76 175.09 1qpm s VAL 58 N 2.55 -0.01 0.03 0.00 1.01 -1.26 -2.02 120.40 120.69 1qpm s VAL 58 Ca 0.28 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1qpm s VAL 58 Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1qpm s VAL 58 CO 0.08 0.02 -0.08 -1.61 0.00 0.00 0.00 175.10 173.52 1qpm s GLU 59 N 0.33 0.54 -0.02 2.72 8.01 -1.19 -4.04 118.70 125.05 1qpm s GLU 59 Ca -0.02 -0.56 0.05 0.00 0.01 0.00 0.00 54.97 54.44 1qpm s GLU 59 Cb -0.04 -0.42 -0.01 0.00 -4.31 0.00 0.00 34.13 29.36 1qpm s GLU 59 CO -0.01 0.09 -0.16 0.71 0.01 0.00 0.00 175.26 175.90 1qpm s TYR 60 N -0.88 1.44 -0.44 1.61 1.51 -0.10 -2.98 117.35 117.51 1qpm s TYR 60 Ca -0.04 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.52 1qpm s TYR 60 Cb -0.07 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1qpm s TYR 60 CO 0.00 -0.04 0.62 0.34 -1.11 0.00 0.00 175.55 175.36 1qpm s ASP 61 N -0.31 6.30 0.50 2.29 -1.08 -1.18 -1.30 116.67 121.90 1qpm s ASP 61 Ca 0.05 -0.40 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 1qpm s ASP 61 Cb -0.07 -2.31 1.29 0.00 -1.46 0.00 0.00 42.92 40.38 1qpm s ASP 61 CO -0.00 -0.76 1.99 1.62 0.52 0.00 0.00 175.17 178.54 1qpm h VAL 62 N 5.86 0.49 0.00 1.11 3.04 -1.94 -2.59 116.25 122.22 1qpm h VAL 62 Ca -0.26 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1qpm h VAL 62 Cb 1.10 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1qpm h VAL 62 CO 0.88 0.14 0.00 0.80 -1.01 0.00 0.00 177.57 178.39 1qpm n MET 63 N -3.48 0.04 -0.00 4.17 0.00 -1.26 -2.20 117.12 114.39 1qpm n MET 63 Ca -0.01 0.26 0.10 0.00 0.00 0.00 0.00 57.70 58.06 1qpm n MET 63 Cb 0.31 -1.57 -0.12 0.00 0.00 0.00 0.00 33.22 31.84 1qpm n MET 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qpm n SER 64 N -1.65 0.71 -4.71 6.12 2.88 -0.98 -4.89 113.62 111.10 1qpm n SER 64 Ca 0.04 -0.68 -0.41 0.00 -1.33 0.00 0.00 58.87 56.48 1qpm n SER 64 Cb 0.20 1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 64.85 1qpm n SER 64 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1qpm s MET 65 N -3.15 4.54 0.72 -1.46 0.00 -0.93 -4.94 119.30 114.08 1qpm s MET 65 Ca 0.04 1.29 -0.14 0.00 0.00 0.00 0.00 55.69 56.88 1qpm s MET 65 Cb 0.15 -3.44 -0.12 0.00 0.00 0.00 0.00 34.83 31.42 1qpm s MET 65 CO 0.87 0.01 -0.53 -2.30 0.00 0.00 0.00 175.02 173.07 1qpm n PRO 66 N 3.72 0.00 -0.31 4.11 -0.02 -1.26 -4.55 135.00 136.68 1qpm n PRO 66 Ca 0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1qpm n PRO 66 Cb 0.51 -0.80 0.08 0.00 -0.02 0.00 0.00 33.50 33.27 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 -0.63 1.26 0.11 3.45 2.02 -1.95 -2.75 112.91 114.42 1qpm h THR 67 Ca -0.35 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.11 1qpm h THR 67 Cb 1.06 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1qpm h THR 67 CO 0.21 0.32 -0.52 0.50 0.37 0.00 0.00 175.52 176.41 1qpm h LYS 68 N 1.22 -0.71 -0.63 6.66 3.64 -2.01 0.55 116.57 125.30 1qpm h LYS 68 Ca 0.29 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1qpm h LYS 68 Cb 0.13 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1qpm h LYS 68 CO -0.04 -0.47 0.24 0.93 -2.27 0.00 0.00 179.45 177.84 1qpm h GLU 69 N -0.74 0.93 -0.95 1.90 3.07 -1.89 -2.53 114.58 114.38 1qpm h GLU 69 Ca 0.00 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1qpm h GLU 69 Cb 0.75 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1qpm h GLU 69 CO -0.29 0.77 0.62 -0.09 -1.40 0.00 0.00 179.01 178.62 1qpm h ARG 70 N 0.91 1.20 -0.93 2.33 2.43 -1.05 -1.81 114.38 117.46 1qpm h ARG 70 Ca 0.21 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1qpm h ARG 70 Cb 0.20 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1qpm h ARG 70 CO -0.02 0.79 0.62 1.49 -1.51 0.00 0.00 179.97 181.34 1qpm h GLU 71 N 1.23 1.22 -0.69 0.20 4.57 -0.47 -1.64 114.58 119.00 1qpm h GLU 71 Ca 0.37 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 1qpm h GLU 71 Cb -0.06 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.23 1qpm h GLU 71 CO -0.10 0.81 0.17 1.96 -1.18 0.00 0.00 179.01 180.67 1qpm h GLN 72 N 1.26 1.09 -0.45 1.92 1.08 -1.25 -1.83 115.11 116.93 1qpm h GLN 72 Ca 0.34 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1qpm h GLN 72 Cb -0.15 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.12 1qpm h GLN 72 CO -0.07 0.96 0.01 0.28 -0.95 0.00 0.00 178.83 179.06 1qpm h VAL 73 N 1.04 1.26 -0.99 -0.54 2.07 -0.90 -2.65 116.25 115.53 1qpm h VAL 73 Ca 0.22 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1qpm h VAL 73 Cb 0.35 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1qpm h VAL 73 CO 0.00 0.35 0.64 0.40 0.02 0.00 0.00 177.57 178.99 1qpm h ILE 74 N 0.64 1.26 -1.01 4.57 2.04 -1.06 -1.45 117.51 122.51 1qpm h ILE 74 Ca 0.13 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 65.64 1qpm h ILE 74 Cb 0.48 -0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.28 1qpm h ILE 74 CO 0.02 0.25 0.63 0.00 0.00 0.00 0.00 178.15 179.05 1qpm h ALA 75 N 1.36 1.56 -0.47 1.87 0.00 -0.98 0.26 119.26 122.87 1qpm h ALA 75 Ca 0.36 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1qpm h ALA 75 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1qpm h ALA 75 CO -0.08 0.15 0.06 1.25 0.00 0.00 0.00 179.25 180.63 1qpm h HIS 76 N 0.93 0.77 -1.01 0.00 -0.00 -1.12 -2.07 115.15 112.66 1qpm h HIS 76 Ca 0.52 -0.08 0.01 0.00 -0.00 0.00 0.00 60.37 60.82 1qpm h HIS 76 Cb 0.61 -0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 1qpm h HIS 76 CO -0.00 0.69 0.67 -0.07 -0.00 0.00 0.00 177.93 179.22 1qpm h LEU 77 N 0.71 1.16 -1.49 0.26 3.38 -0.23 0.34 115.31 119.44 1qpm h LEU 77 Ca 0.15 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1qpm h LEU 77 Cb 0.35 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1qpm h LEU 77 CO 0.01 0.84 0.49 1.23 0.09 0.00 0.00 178.44 181.09 1qpm h GLY 78 N 1.37 0.83 -1.07 0.83 0.00 -0.73 -3.41 103.07 100.89 1qpm h GLY 78 Ca 0.37 -0.23 -0.46 0.00 0.00 0.00 0.00 47.33 47.01 1qpm h GLY 78 CO -0.08 0.12 0.24 1.08 0.00 0.00 0.00 176.54 177.90 1qpm s LEU 79 N -9.53 2.79 0.23 3.11 1.43 0.11 -4.97 118.68 111.84 1qpm s LEU 79 Ca -0.09 0.48 -0.32 0.00 -1.03 0.00 0.00 54.13 53.18 1qpm s LEU 79 Cb 0.20 -3.12 -0.12 0.00 0.03 0.00 0.00 46.19 43.18 1qpm s LEU 79 CO 0.77 -1.63 1.66 -1.20 0.23 0.00 0.00 176.35 176.18 1qpm n SER 80 N -2.96 3.80 -0.21 2.29 7.64 -1.26 -4.95 113.62 117.97 1qpm n SER 80 Ca 0.08 1.09 0.15 0.00 1.01 0.00 0.00 58.87 61.20 1qpm n SER 80 Cb 0.61 -1.56 0.76 0.00 -1.01 0.00 0.00 64.21 63.01 1qpm n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38