#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 5.04 -0.06 4.39 0.01 -1.26 -5.08 113.70 116.75 1qpm s SER 14 Ca 0.00 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1qpm s SER 14 Cb 0.00 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1qpm s SER 14 CO 0.00 -1.59 -0.04 -0.63 0.41 0.00 0.00 173.24 171.39 1qpm s ILE 15 N -3.41 0.57 -0.12 1.44 1.09 -1.26 -5.13 121.20 114.39 1qpm s ILE 15 Ca 0.60 -0.08 -0.06 0.00 -1.10 0.00 0.00 60.65 60.00 1qpm s ILE 15 Cb -0.11 -0.63 0.05 0.00 -1.06 0.00 0.00 42.46 40.70 1qpm s ILE 15 CO 0.51 0.26 0.28 0.26 -0.10 0.00 0.00 174.94 176.15 1qpm s TRP 16 N 1.32 -0.38 0.04 3.97 0.52 -1.26 -3.79 118.94 119.36 1qpm s TRP 16 Ca -0.04 0.88 0.03 0.00 0.02 0.00 0.00 56.10 56.99 1qpm s TRP 16 Cb -0.14 0.09 -0.02 0.00 -1.15 0.00 0.00 33.47 32.25 1qpm s TRP 16 CO -0.02 -0.26 -0.09 0.00 0.02 0.00 0.00 176.95 176.60 1qpm s SER 18 N -1.35 4.45 0.52 0.00 0.01 -1.26 -2.11 113.70 113.96 1qpm s SER 18 Ca -0.06 1.39 0.23 0.00 1.31 0.00 0.00 55.95 58.82 1qpm s SER 18 Cb -0.09 -2.13 1.41 0.00 0.21 0.00 0.00 66.02 65.42 1qpm s SER 18 CO 0.01 -2.00 2.11 1.55 0.41 0.00 0.00 173.24 175.31 1qpm h PRO 19 N -1.11 0.00 -0.68 12.44 0.13 -1.97 -2.43 132.00 138.37 1qpm h PRO 19 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1qpm h PRO 19 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1qpm h PRO 19 CO 0.58 0.09 0.45 0.37 -0.23 0.00 0.00 178.00 179.26 1qpm h GLN 20 N 0.00 0.89 -0.45 0.86 4.15 -1.94 1.28 115.11 119.90 1qpm h GLN 20 Ca -0.00 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1qpm h GLN 20 Cb 0.20 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1qpm h GLN 20 CO 0.01 0.59 -0.28 0.93 -1.93 0.00 0.00 178.83 178.15 1qpm h GLU 21 N 0.92 0.99 0.20 1.69 3.07 -1.81 -2.74 114.58 116.89 1qpm h GLU 21 Ca 0.25 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1qpm h GLU 21 Cb -0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1qpm h GLU 21 CO -0.05 1.13 -0.09 0.82 -1.40 0.00 0.00 179.01 179.41 1qpm h ILE 22 N 0.83 0.78 0.00 3.13 2.04 -1.15 -3.06 117.51 120.08 1qpm h ILE 22 Ca 0.09 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1qpm h ILE 22 Cb 0.87 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1qpm h ILE 22 CO 0.08 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.66 1qpm h MET 23 N -0.85 0.00 -0.00 2.37 -0.00 0.15 1.79 114.93 118.39 1qpm h MET 23 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1qpm h MET 23 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1qpm h MET 23 CO 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 176.91 176.91 1qpm n ALA 24 N -1.93 2.44 -2.71 -3.00 0.00 -1.04 -4.75 120.51 109.53 1qpm n ALA 24 Ca -0.02 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1qpm n ALA 24 Cb 0.30 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 3.29 0.56 0.00 0.00 0.61 -4.92 121.76 118.31 1qpm s ALA 25 Ca 0.14 0.29 0.29 0.00 0.00 0.00 0.00 51.96 52.68 1qpm s ALA 25 Cb 0.19 -3.14 1.77 0.00 0.00 0.00 0.00 23.12 21.94 1qpm s ALA 25 CO 0.54 -0.21 2.23 0.38 0.00 0.00 0.00 175.76 178.70 1qpm h ASP 26 N 6.83 0.00 -0.24 0.00 2.03 -1.85 -0.93 116.42 122.26 1qpm h ASP 26 Ca -0.40 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 55.92 1qpm h ASP 26 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1qpm h ASP 26 CO 0.76 0.02 0.16 1.23 -1.03 0.00 0.00 179.24 180.39 1qpm h GLY 27 N 0.13 0.30 -7.49 7.15 0.00 -1.89 -3.33 103.07 97.95 1qpm h GLY 27 Ca -0.00 -0.11 -0.65 0.00 0.00 0.00 0.00 47.33 46.57 1qpm h GLY 27 CO 0.00 0.10 -0.64 1.06 0.00 0.00 0.00 176.54 177.07 1qpm s MET 28 N -5.28 1.86 0.55 4.80 -1.94 -0.35 -5.11 119.30 113.83 1qpm s MET 28 Ca -0.07 -2.38 -0.15 0.00 -1.71 0.00 0.00 55.69 51.39 1qpm s MET 28 Cb 0.17 -3.32 -0.07 0.00 2.01 0.00 0.00 34.83 33.63 1qpm s MET 28 CO 0.70 -1.06 1.00 -1.25 -0.01 0.00 0.00 175.02 174.40 1qpm s PRO 29 N 0.11 3.82 0.00 2.03 0.04 -1.25 -4.57 135.00 135.19 1qpm s PRO 29 Ca 0.15 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1qpm s PRO 29 Cb -0.23 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1qpm s PRO 29 CO -0.03 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1qpm n GLY 30 N -1.93 2.81 0.00 0.56 0.00 -1.26 -4.48 105.19 100.89 1qpm n GLY 30 Ca 0.06 -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 0.00 0.32 1.61 3.41 -1.26 -4.54 113.62 113.15 1qpm n SER 31 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1qpm n SER 31 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.22 0.40 -0.78 -3.33 2.07 -1.95 -2.25 116.25 110.18 1qpm h VAL 32 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1qpm h VAL 32 Cb 0.00 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1qpm h VAL 32 CO 0.00 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.94 1qpm h ALA 33 N -0.36 1.15 -0.82 1.67 0.00 -1.99 -2.38 119.26 116.52 1qpm h ALA 33 Ca -0.07 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1qpm h ALA 33 Cb 0.62 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1qpm h ALA 33 CO 0.11 0.63 0.39 0.78 0.00 0.00 0.00 179.25 181.16 1qpm h GLY 34 N 1.15 1.30 1.05 0.00 0.00 -1.79 0.31 103.07 105.09 1qpm h GLY 34 Ca 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1qpm h GLY 34 CO -0.03 -0.07 0.34 -2.08 0.00 0.00 0.00 176.54 174.71 1qpm h VAL 35 N 0.55 1.26 -0.77 4.60 2.07 -0.89 -2.10 116.25 120.98 1qpm h VAL 35 Ca 0.45 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1qpm h VAL 35 Cb 0.66 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1qpm h VAL 35 CO -0.38 0.33 0.40 0.45 0.02 0.00 0.00 177.57 178.39 1qpm h HIS 36 N 1.18 1.07 0.26 1.57 3.86 -0.28 -0.04 115.15 122.77 1qpm h HIS 36 Ca 0.27 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1qpm h HIS 36 Cb 0.19 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1qpm h HIS 36 CO 0.02 0.76 -0.42 -0.92 0.86 0.00 0.00 177.93 178.23 1qpm h TYR 37 N 1.08 -1.17 -0.53 2.45 5.03 -0.18 -1.24 116.97 122.41 1qpm h TYR 37 Ca 0.27 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.48 1qpm h TYR 37 Cb 0.07 0.48 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1qpm h TYR 37 CO 0.01 -0.54 -0.14 0.07 -1.32 0.00 0.00 178.16 176.23 1qpm h ARG 38 N -0.75 1.02 -1.00 1.82 0.11 -1.45 -2.96 114.38 111.17 1qpm h ARG 38 Ca -0.01 -0.40 0.23 0.00 0.10 0.00 0.00 59.98 59.90 1qpm h ARG 38 Cb 0.72 -0.06 -0.12 0.00 1.11 0.00 0.00 29.97 31.62 1qpm h ARG 38 CO -0.16 1.08 0.60 0.00 0.10 0.00 0.00 179.97 181.59 1qpm h ALA 39 N 0.92 1.74 -0.83 0.08 0.00 -0.51 0.15 119.26 120.82 1qpm h ALA 39 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1qpm h ALA 39 Cb 0.72 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1qpm h ALA 39 CO 0.05 -0.19 0.38 -0.91 0.00 0.00 0.00 179.25 178.58 1qpm h ASN 40 N 0.65 1.11 -0.67 0.00 2.35 -1.06 -2.47 115.58 115.49 1qpm h ASN 40 Ca 0.62 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 56.14 1qpm h ASN 40 Cb 1.11 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 1qpm h ASN 40 CO -0.44 0.95 0.09 0.58 -1.65 0.00 0.00 177.43 176.96 1qpm h VAL 41 N 1.20 1.27 -3.83 2.81 2.07 -0.79 -3.43 116.25 115.54 1qpm h VAL 41 Ca 0.28 -1.06 -0.48 0.00 0.82 0.00 0.00 66.70 66.26 1qpm h VAL 41 Cb 0.15 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1qpm h VAL 41 CO -0.03 0.40 0.18 -1.10 0.02 0.00 0.00 177.57 177.04 1qpm s GLN 42 N -5.18 3.92 -0.92 1.57 -1.52 -0.72 -4.97 119.66 111.84 1qpm s GLN 42 Ca -0.12 0.68 -0.04 0.00 -1.95 0.00 0.00 55.36 53.94 1qpm s GLN 42 Cb 0.14 -2.34 0.18 0.00 -0.22 0.00 0.00 33.01 30.77 1qpm s GLN 42 CO 0.85 -0.02 2.34 0.41 -0.25 0.00 0.00 175.29 178.63 1qpm n GLY 43 N -1.00 5.18 3.78 3.09 0.00 -1.26 -4.85 105.19 110.13 1qpm n GLY 43 Ca 0.04 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.40 2.82 0.05 1.61 0.52 -1.26 -4.98 118.94 115.29 1qpm s TRP 44 Ca 0.52 1.56 -0.30 0.00 0.02 0.00 0.00 56.10 57.90 1qpm s TRP 44 Cb 0.29 -3.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 1qpm s TRP 44 CO -0.19 -1.24 1.09 0.99 0.02 0.00 0.00 176.95 177.61 1qpm s THR 45 N -1.86 4.39 0.10 2.01 2.01 -1.26 -5.01 115.64 116.02 1qpm s THR 45 Ca 0.70 1.75 0.03 0.00 0.31 0.00 0.00 61.69 64.48 1qpm s THR 45 Cb -0.21 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1qpm s THR 45 CO 0.24 0.16 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.70 1qpm s LYS 46 N 0.87 0.83 -0.09 4.92 1.02 -1.26 -3.02 119.74 123.01 1qpm s LYS 46 Ca 0.55 -1.23 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 1qpm s LYS 46 Cb -0.26 -0.37 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1qpm s LYS 46 CO 0.29 0.03 0.17 -0.98 -0.92 0.00 0.00 175.35 173.95 1qpm s ARG 47 N -3.24 0.06 -0.02 1.68 1.70 -1.14 -5.00 118.95 112.99 1qpm s ARG 47 Ca 0.08 0.56 -0.26 0.00 -0.47 0.00 0.00 55.73 55.64 1qpm s ARG 47 Cb 0.01 -0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.12 1qpm s ARG 47 CO -0.02 -0.28 0.81 -1.59 -1.08 0.00 0.00 175.30 173.14 1qpm s LYS 48 N 2.15 4.50 -0.80 3.89 -2.85 -1.26 -2.20 119.74 123.16 1qpm s LYS 48 Ca 0.01 1.11 -0.21 0.00 -1.00 0.00 0.00 55.97 55.88 1qpm s LYS 48 Cb -0.12 -3.43 0.10 0.00 -2.06 0.00 0.00 37.83 32.32 1qpm s LYS 48 CO -0.06 0.08 1.07 0.15 0.10 0.00 0.00 175.35 176.68 1qpm s LYS 49 N 0.66 3.36 0.39 1.78 1.02 0.34 -4.89 119.74 122.40 1qpm s LYS 49 Ca 0.43 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1qpm s LYS 49 Cb -0.20 -4.61 0.00 0.00 -0.52 0.00 0.00 37.83 32.50 1qpm s LYS 49 CO 0.23 -1.82 0.00 0.39 -0.92 0.00 0.00 175.35 173.23 1qpm n GLU 50 N 7.25 -2.40 -1.69 1.68 -0.58 -1.26 -3.13 120.64 120.50 1qpm n GLU 50 Ca 0.11 1.83 -0.43 0.00 -0.42 0.00 0.00 57.16 58.25 1qpm n GLU 50 Cb 0.47 -2.98 -0.01 0.00 -0.57 0.00 0.00 31.44 28.35 1qpm n GLU 50 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qpm n GLY 51 N -3.80 0.57 3.33 0.62 0.00 -1.26 -4.55 105.19 100.10 1qpm n GLY 51 Ca -0.04 0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1qpm n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpm s VAL 52 N -1.05 2.93 0.00 1.61 1.01 -1.26 -4.61 120.40 119.03 1qpm s VAL 52 Ca 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1qpm s VAL 52 Cb -0.58 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1qpm s VAL 52 CO 0.62 0.51 0.00 1.17 0.00 0.00 0.00 175.10 177.40 1qpm n LYS 53 N 3.82 0.00 0.00 2.72 3.00 -1.26 -4.97 118.16 121.48 1qpm n LYS 53 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1qpm n LYS 53 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1qpm n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qpm n GLY 54 N -0.78 0.00 0.00 3.14 0.00 -1.26 -5.10 105.19 101.19 1qpm n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.76 5.84 1.26 -0.02 0.00 -1.26 -5.10 105.19 107.68 1qpm n GLY 55 Ca 0.00 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.68 -1.50 1.61 5.02 -1.26 -4.59 118.16 115.76 1qpm n LYS 56 Ca 0.00 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 1qpm n LYS 56 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1qpm n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qpm n ALA 57 N -1.49 0.00 -2.17 7.82 0.00 -1.18 -4.83 120.51 118.66 1qpm n ALA 57 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qpm n ALA 57 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 1qpm n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qpm s VAL 58 N -2.49 0.59 0.11 0.00 0.11 -1.26 0.13 120.40 117.58 1qpm s VAL 58 Ca 0.00 -1.92 0.05 0.00 -2.93 0.00 0.00 61.98 57.18 1qpm s VAL 58 Cb 0.00 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1qpm s VAL 58 CO 0.00 -0.82 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.22 1qpm s GLU 59 N -3.87 0.93 -0.02 1.54 2.02 -0.94 -4.14 118.70 114.22 1qpm s GLU 59 Ca 0.13 -1.19 0.06 0.00 0.02 0.00 0.00 54.97 54.00 1qpm s GLU 59 Cb 0.06 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.56 1qpm s GLU 59 CO -0.04 0.13 -0.20 0.71 0.02 0.00 0.00 175.26 175.88 1qpm s TYR 60 N -2.25 1.78 -0.15 1.61 1.51 -0.90 -2.87 117.35 116.08 1qpm s TYR 60 Ca 0.07 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 1qpm s TYR 60 Cb -0.04 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1qpm s TYR 60 CO 0.02 -0.03 0.29 0.16 -1.11 0.00 0.00 175.55 174.88 1qpm s ASP 61 N -0.47 6.46 0.56 2.29 -4.77 -1.17 -2.20 116.67 117.37 1qpm s ASP 61 Ca 0.08 0.53 0.35 0.00 -3.30 0.00 0.00 52.55 50.21 1qpm s ASP 61 Cb -0.08 -2.18 1.48 0.00 -1.09 0.00 0.00 42.92 41.06 1qpm s ASP 61 CO -0.01 0.12 2.03 0.58 0.70 0.00 0.00 175.17 178.59 1qpm h VAL 62 N 4.60 0.00 0.00 2.11 2.07 -1.95 -2.75 116.25 120.33 1qpm h VAL 62 Ca -0.42 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1qpm h VAL 62 Cb 1.17 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1qpm h VAL 62 CO 0.74 0.00 0.00 0.80 0.02 0.00 0.00 177.57 179.13 1qpm n MET 63 N -3.09 0.00 -0.00 1.57 0.00 -1.26 -2.38 117.12 111.97 1qpm n MET 63 Ca 0.00 0.25 0.06 0.00 -0.00 0.00 0.00 57.70 58.01 1qpm n MET 63 Cb 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.92 1qpm n MET 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1qpm n SER 64 N -1.50 0.82 -4.75 6.12 3.41 -1.04 -4.97 113.62 111.71 1qpm n SER 64 Ca 0.04 -0.69 -0.40 0.00 -0.26 0.00 0.00 58.87 57.56 1qpm n SER 64 Cb 0.17 1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 65.16 1qpm n SER 64 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qpm s MET 65 N -2.36 4.78 1.02 4.33 -1.94 -1.00 -4.84 119.30 119.29 1qpm s MET 65 Ca 0.03 1.56 -0.21 0.00 -1.71 0.00 0.00 55.69 55.36 1qpm s MET 65 Cb 0.10 -3.27 -0.08 0.00 2.01 0.00 0.00 34.83 33.58 1qpm s MET 65 CO 0.55 0.40 -0.74 -2.30 -0.01 0.00 0.00 175.02 172.92 1qpm n PRO 66 N 1.64 -0.42 -0.21 2.03 -0.02 -1.26 -4.55 135.00 132.21 1qpm n PRO 66 Ca -0.01 -0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.29 1qpm n PRO 66 Cb 0.47 -1.28 0.08 0.00 -0.02 0.00 0.00 33.50 32.74 1qpm n PRO 66 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1qpm h THR 67 N -1.33 1.26 -0.32 3.45 1.35 -1.96 -2.12 112.91 113.25 1qpm h THR 67 Ca -0.44 -1.00 0.05 0.00 -0.55 0.00 0.00 66.41 64.46 1qpm h THR 67 Cb 1.35 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 68.38 1qpm h THR 67 CO 0.27 0.38 0.05 0.11 -0.25 0.00 0.00 175.52 176.08 1qpm h LYS 68 N 0.98 0.16 -0.60 4.72 6.56 -2.00 0.59 116.57 126.97 1qpm h LYS 68 Ca 0.20 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.71 1qpm h LYS 68 Cb 0.42 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 1qpm h LYS 68 CO 0.01 0.10 0.09 0.93 -2.06 0.00 0.00 179.45 178.53 1qpm h GLU 69 N 0.16 0.98 -0.75 3.15 3.07 -1.86 -2.71 114.58 116.63 1qpm h GLU 69 Ca 0.15 -0.25 0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1qpm h GLU 69 Cb 0.17 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 1qpm h GLU 69 CO -0.20 0.91 0.48 -0.09 -1.40 0.00 0.00 179.01 178.71 1qpm h ARG 70 N 0.92 0.94 -1.01 2.33 2.43 -0.53 -1.42 114.38 118.05 1qpm h ARG 70 Ca 0.19 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1qpm h ARG 70 Cb 0.41 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1qpm h ARG 70 CO 0.01 0.62 0.67 0.93 -1.51 0.00 0.00 179.97 180.69 1qpm h GLU 71 N 0.97 1.33 -0.19 0.20 5.08 -0.63 -1.88 114.58 119.45 1qpm h GLU 71 Ca 0.29 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1qpm h GLU 71 Cb -0.05 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.89 1qpm h GLU 71 CO -0.08 0.88 -0.19 1.96 -1.00 0.00 0.00 179.01 180.57 1qpm h GLN 72 N 1.37 0.33 -0.38 2.33 4.20 -1.07 -2.78 115.11 119.11 1qpm h GLN 72 Ca 0.37 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.82 1qpm h GLN 72 Cb -0.16 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1qpm h GLN 72 CO -0.08 0.52 -0.41 0.28 -0.67 0.00 0.00 178.83 178.47 1qpm h VAL 73 N 0.30 1.27 -0.98 -0.54 2.07 -0.52 -2.93 116.25 114.92 1qpm h VAL 73 Ca 0.05 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1qpm h VAL 73 Cb 0.52 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1qpm h VAL 73 CO 0.03 0.53 0.65 0.40 0.02 0.00 0.00 177.57 179.20 1qpm h ILE 74 N 0.76 1.25 -0.88 4.57 1.08 -1.23 -1.72 117.51 121.34 1qpm h ILE 74 Ca 0.06 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1qpm h ILE 74 Cb 1.01 -0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 1qpm h ILE 74 CO 0.10 0.24 0.58 0.00 -0.69 0.00 0.00 178.15 178.38 1qpm h ALA 75 N 1.38 1.14 -0.11 1.87 0.00 -1.32 0.54 119.26 122.76 1qpm h ALA 75 Ca 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1qpm h ALA 75 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1qpm h ALA 75 CO -0.08 0.47 0.07 1.25 0.00 0.00 0.00 179.25 180.96 1qpm h HIS 76 N 1.15 0.14 0.00 0.00 -0.00 -1.17 -1.98 115.15 113.29 1qpm h HIS 76 Ca 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.63 1qpm h HIS 76 Cb -0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1qpm h HIS 76 CO -0.01 0.13 -0.36 -0.07 -0.00 0.00 0.00 177.93 177.62 1qpm h LEU 77 N 0.12 0.00 -1.42 0.26 4.07 -1.03 -2.95 115.31 114.36 1qpm h LEU 77 Ca 0.04 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.09 1qpm h LEU 77 Cb 0.03 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1qpm h LEU 77 CO -0.01 0.36 0.48 1.23 -1.08 0.00 0.00 178.44 179.42 1qpm h GLY 78 N 1.65 0.91 -0.76 0.83 0.00 0.86 -3.42 103.07 103.13 1qpm h GLY 78 Ca -0.00 -0.27 -0.47 0.00 0.00 0.00 0.00 47.33 46.58 1qpm h GLY 78 CO 0.05 0.17 0.39 0.48 0.00 0.00 0.00 176.54 177.63 1qpm s LEU 79 N -9.63 2.62 0.23 3.11 0.05 -1.11 -4.95 118.68 108.98 1qpm s LEU 79 Ca -0.09 0.80 -0.32 0.00 0.05 0.00 0.00 54.13 54.57 1qpm s LEU 79 Cb 0.20 -3.37 -0.14 0.00 -2.05 0.00 0.00 46.19 40.83 1qpm s LEU 79 CO 0.77 -1.76 1.38 -0.24 -0.55 0.00 0.00 176.35 175.95 1qpm n SER 80 N -3.21 2.59 -0.40 1.48 2.88 -1.26 -5.03 113.62 110.67 1qpm n SER 80 Ca 0.08 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 1qpm n SER 80 Cb 0.60 -1.40 0.59 0.00 -0.75 0.00 0.00 64.21 63.26 1qpm n SER 80 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16