#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjh s ARG 2 N 0.00 0.77 -0.07 0.03 3.52 0.06 -4.90 118.95 118.36 1qjh s ARG 2 Ca 0.00 -0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 54.51 1qjh s ARG 2 Cb 0.00 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1qjh s ARG 2 CO 0.00 -0.23 0.41 0.50 -0.81 0.00 0.00 175.30 175.18 1qjh s ARG 3 N -3.60 4.12 0.06 5.12 3.52 -1.26 -0.31 118.95 126.60 1qjh s ARG 3 Ca 0.03 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1qjh s ARG 3 Cb 0.04 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1qjh s ARG 3 CO -0.09 0.43 -0.04 0.71 -0.81 0.00 0.00 175.30 175.49 1qjh s TYR 4 N -0.23 0.60 -0.21 5.12 2.02 0.17 -2.95 117.35 121.86 1qjh s TYR 4 Ca 0.23 -0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1qjh s TYR 4 Cb -0.16 -0.40 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 1qjh s TYR 4 CO 0.11 -0.26 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.51 1qjh s GLU 5 N -3.32 3.15 -0.35 -0.62 2.02 0.24 -0.33 118.70 119.48 1qjh s GLU 5 Ca 0.03 -0.76 -0.12 0.00 0.02 0.00 0.00 54.97 54.15 1qjh s GLU 5 Cb 0.03 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 1qjh s GLU 5 CO -0.06 -0.23 0.22 0.08 0.02 0.00 0.00 175.26 175.29 1qjh s VAL 6 N 1.38 5.04 -0.19 2.63 1.01 0.14 -1.02 120.40 129.39 1qjh s VAL 6 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1qjh s VAL 6 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1qjh s VAL 6 CO -0.07 -0.05 0.19 0.20 0.00 0.00 0.00 175.10 175.37 1qjh s ASN 7 N 1.67 6.28 -0.04 3.32 0.01 0.13 -1.18 114.94 125.14 1qjh s ASN 7 Ca 0.05 0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.54 1qjh s ASN 7 Cb -0.18 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.37 1qjh s ASN 7 CO 0.09 0.13 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.09 1qjh s ILE 8 N 0.50 0.89 -0.21 0.60 -1.09 0.11 -1.09 121.20 120.91 1qjh s ILE 8 Ca 0.11 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1qjh s ILE 8 Cb -0.12 -0.81 -0.01 0.00 -1.58 0.00 0.00 42.46 39.94 1qjh s ILE 8 CO 0.01 0.29 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.25 1qjh s VAL 9 N 0.41 3.25 0.20 2.92 1.01 -0.57 0.55 120.40 128.17 1qjh s VAL 9 Ca -0.07 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1qjh s VAL 9 Cb -0.12 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1qjh s VAL 9 CO 0.01 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.93 1qjh s LEU 10 N 1.38 3.74 0.02 3.92 1.43 0.52 -0.60 118.68 129.10 1qjh s LEU 10 Ca 0.05 -0.21 -0.38 0.00 -1.03 0.00 0.00 54.13 52.56 1qjh s LEU 10 Cb -0.14 -2.33 -0.17 0.00 0.03 0.00 0.00 46.19 43.58 1qjh s LEU 10 CO -0.04 0.03 1.40 -3.20 0.23 0.00 0.00 176.35 174.78 1qjh n ASN 11 N -0.62 1.70 0.12 2.29 5.15 0.56 -1.07 115.26 123.38 1qjh n ASN 11 Ca -0.08 1.11 0.12 0.00 -0.60 0.00 0.00 54.58 55.13 1qjh n ASN 11 Cb 0.56 -1.17 0.48 0.00 -0.53 0.00 0.00 39.78 39.12 1qjh n ASN 11 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1qjh n PRO 12 N 2.97 0.19 0.00 1.20 -0.04 -1.26 -3.05 135.00 135.00 1qjh n PRO 12 Ca 0.20 0.39 0.15 0.00 -0.04 0.00 0.00 63.50 64.20 1qjh n PRO 12 Cb 0.17 -1.84 0.66 0.00 -0.04 0.00 0.00 33.50 32.45 1qjh n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qjh n ASN 13 N -2.20 0.90 -4.77 3.54 4.13 -1.26 -4.91 115.26 110.70 1qjh n ASN 13 Ca 0.02 -1.22 -0.40 0.00 1.68 0.00 0.00 54.58 54.67 1qjh n ASN 13 Cb 0.24 -0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.46 1qjh n ASN 13 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1qjh s LEU 14 N -2.08 4.41 0.71 3.41 1.43 -1.17 -5.02 118.68 120.37 1qjh s LEU 14 Ca 0.39 2.64 -0.08 0.00 -1.03 0.00 0.00 54.13 56.05 1qjh s LEU 14 Cb 0.21 -3.69 0.06 0.00 0.03 0.00 0.00 46.19 42.80 1qjh s LEU 14 CO 0.37 -0.54 1.04 1.51 0.23 0.00 0.00 176.35 178.96 1qjh s ASP 15 N -0.57 4.89 0.29 2.29 1.47 -1.26 -4.80 116.67 118.97 1qjh s ASP 15 Ca 0.50 0.59 0.02 0.00 1.18 0.00 0.00 52.55 54.83 1qjh s ASP 15 Cb -0.39 -1.26 0.56 0.00 -0.34 0.00 0.00 42.92 41.50 1qjh s ASP 15 CO 0.51 -1.58 1.85 -0.61 0.68 0.00 0.00 175.17 176.02 1qjh h GLN 16 N -0.64 0.96 0.00 2.11 4.15 -1.99 -0.23 115.11 119.48 1qjh h GLN 16 Ca -0.45 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 58.83 1qjh h GLN 16 Cb 1.31 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1qjh h GLN 16 CO 0.62 0.64 -0.41 0.66 -1.93 0.00 0.00 178.83 178.41 1qjh h SER 17 N 0.99 0.00 0.25 -0.69 4.64 -1.99 -0.57 113.55 116.19 1qjh h SER 17 Ca 0.48 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.56 1qjh h SER 17 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1qjh h SER 17 CO -0.25 0.41 -1.02 1.56 -0.87 0.00 0.00 176.83 176.66 1qjh h GLN 18 N 0.00 0.50 -0.19 4.77 4.20 -1.62 -2.02 115.11 120.74 1qjh h GLN 18 Ca -0.00 -0.56 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 1qjh h GLN 18 Cb 0.77 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1qjh h GLN 18 CO 0.05 1.20 0.09 1.25 -0.67 0.00 0.00 178.83 180.75 1qjh h LEU 19 N 0.27 0.25 -0.07 1.46 6.46 -0.72 -1.09 115.31 121.87 1qjh h LEU 19 Ca -0.11 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1qjh h LEU 19 Cb 1.67 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1qjh h LEU 19 CO 0.18 0.31 0.04 0.00 -0.62 0.00 0.00 178.44 178.35 1qjh h ALA 20 N 0.96 0.09 0.02 1.25 0.00 -1.12 -0.52 119.26 119.94 1qjh h ALA 20 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qjh h ALA 20 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qjh h ALA 20 CO -0.01 -0.43 -0.12 1.25 0.00 0.00 0.00 179.25 179.95 1qjh h LEU 21 N 0.09 -0.34 -0.44 0.00 5.85 -1.20 -0.03 115.31 119.24 1qjh h LEU 21 Ca 0.03 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1qjh h LEU 21 Cb -0.00 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1qjh h LEU 21 CO -0.02 -0.17 0.21 -0.08 -0.34 0.00 0.00 178.44 178.04 1qjh h GLU 22 N -0.21 0.41 -0.92 1.25 4.57 -1.09 0.20 114.58 118.79 1qjh h GLU 22 Ca 0.04 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1qjh h GLU 22 Cb 0.25 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 1qjh h GLU 22 CO -0.10 0.27 0.59 -0.22 -1.18 0.00 0.00 179.01 178.37 1qjh h LYS 23 N 0.42 1.10 -0.31 1.92 3.11 -0.70 0.88 116.57 122.99 1qjh h LYS 23 Ca 0.20 -0.07 -0.17 0.00 -2.81 0.00 0.00 60.65 57.80 1qjh h LYS 23 Cb 0.12 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.10 1qjh h LYS 23 CO -0.15 0.73 -0.48 0.93 -2.81 0.00 0.00 179.45 177.67 1qjh h GLU 24 N 1.13 0.86 -0.62 1.90 4.39 -0.13 -2.33 114.58 119.79 1qjh h GLU 24 Ca 0.37 -0.52 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1qjh h GLU 24 Cb 0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1qjh h GLU 24 CO -0.13 1.16 0.13 0.82 -1.16 0.00 0.00 179.01 179.83 1qjh h ILE 25 N 0.65 1.26 -0.49 3.13 2.04 -0.07 -1.76 117.51 122.26 1qjh h ILE 25 Ca 0.03 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 1qjh h ILE 25 Cb 1.08 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1qjh h ILE 25 CO 0.11 0.36 -0.05 0.40 0.00 0.00 0.00 178.15 178.97 1qjh h ILE 26 N 0.91 1.26 -0.67 -0.67 2.04 -0.87 -0.58 117.51 118.92 1qjh h ILE 26 Ca 0.19 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1qjh h ILE 26 Cb 0.38 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1qjh h ILE 26 CO 0.01 0.39 0.09 -0.61 0.00 0.00 0.00 178.15 178.03 1qjh h GLN 27 N 0.78 1.12 -0.49 2.37 4.15 -1.19 -1.03 115.11 120.81 1qjh h GLN 27 Ca 0.14 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 1qjh h GLN 27 Cb 0.54 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1qjh h GLN 27 CO 0.03 1.03 0.17 0.00 -1.93 0.00 0.00 178.83 178.13 1qjh h ARG 28 N 1.04 0.76 -0.73 1.69 2.47 -0.87 -2.42 114.38 116.31 1qjh h ARG 28 Ca 0.20 -0.15 0.07 0.00 -1.26 0.00 0.00 59.98 58.84 1qjh h ARG 28 Cb 0.46 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.61 1qjh h ARG 28 CO 0.02 0.69 0.42 0.00 0.56 0.00 0.00 179.97 181.66 1qjh h ALA 29 N 1.03 1.00 0.05 0.04 0.00 -0.76 0.36 119.26 120.98 1qjh h ALA 29 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1qjh h ALA 29 Cb 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1qjh h ALA 29 CO -0.01 0.10 -0.28 -0.07 0.00 0.00 0.00 179.25 179.00 1qjh h LEU 30 N 0.76 -0.81 -1.09 0.00 3.38 -0.83 -1.09 115.31 115.63 1qjh h LEU 30 Ca 0.33 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1qjh h LEU 30 Cb 0.22 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1qjh h LEU 30 CO -0.19 -0.36 0.54 -0.33 0.09 0.00 0.00 178.44 178.19 1qjh h GLU 31 N -0.45 1.16 -0.07 1.13 5.08 -0.87 0.16 114.58 120.71 1qjh h GLU 31 Ca 0.05 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qjh h GLU 31 Cb 0.51 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1qjh h GLU 31 CO -0.21 0.79 0.08 -0.91 -1.00 0.00 0.00 179.01 177.76 1qjh h ASN 32 N 1.18 0.00 -0.73 1.42 -0.26 0.79 0.38 115.58 118.36 1qjh h ASN 32 Ca 0.31 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.85 1qjh h ASN 32 Cb -0.08 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.06 1qjh h ASN 32 CO -0.06 0.00 0.25 -1.22 -1.06 0.00 0.00 177.43 175.34 1qjh n TYR 33 N -3.80 2.43 -0.82 1.19 4.02 -0.08 -4.90 117.16 115.20 1qjh n TYR 33 Ca -0.01 -1.17 0.00 0.00 -0.01 0.00 0.00 57.90 56.71 1qjh n TYR 33 Cb 0.17 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 1qjh n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qjh n GLY 34 N -0.10 0.59 3.77 2.72 0.00 0.13 -4.61 105.19 107.70 1qjh n GLY 34 Ca 0.40 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 1qjh n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjh s ALA 35 N -2.00 3.26 -0.37 4.61 0.00 -0.45 -4.46 121.76 122.34 1qjh s ALA 35 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 1qjh s ALA 35 Cb 0.00 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1qjh s ALA 35 CO 0.00 0.10 0.18 0.50 0.00 0.00 0.00 175.76 176.55 1qjh s ARG 36 N -1.77 2.76 -0.47 0.00 3.00 0.11 -4.11 118.95 118.47 1qjh s ARG 36 Ca 0.48 -1.12 -0.29 0.00 -1.00 0.00 0.00 55.73 53.80 1qjh s ARG 36 Cb -0.23 -3.67 0.03 0.00 0.00 0.00 0.00 34.95 31.08 1qjh s ARG 36 CO 0.29 -0.70 1.16 0.08 0.00 0.00 0.00 175.30 176.12 1qjh s VAL 37 N 1.51 4.19 -0.12 7.11 1.01 -1.26 -1.65 120.40 131.19 1qjh s VAL 37 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1qjh s VAL 37 Cb -0.19 -4.58 -0.24 0.00 0.00 0.00 0.00 36.38 31.36 1qjh s VAL 37 CO 0.06 -0.99 0.38 -0.62 0.00 0.00 0.00 175.10 173.92 1qjh n GLU 38 N 7.85 0.71 -3.91 2.72 1.02 0.00 -4.98 120.64 124.06 1qjh n GLU 38 Ca 0.12 0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 57.41 1qjh n GLU 38 Cb 0.49 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1qjh n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qjh s LYS 39 N -2.56 0.56 -0.12 3.49 1.02 -0.70 -4.96 119.74 116.47 1qjh s LYS 39 Ca -0.18 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1qjh s LYS 39 Cb 0.07 0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1qjh s LYS 39 CO 0.77 -0.14 0.32 0.08 -0.92 0.00 0.00 175.35 175.46 1qjh s VAL 40 N -2.26 0.00 -0.20 3.17 1.01 -1.26 -0.95 120.40 119.91 1qjh s VAL 40 Ca -0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1qjh s VAL 40 Cb -0.03 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1qjh s VAL 40 CO -0.03 -0.00 0.55 0.00 0.00 0.00 0.00 175.10 175.62 1qjh s ALA 41 N 0.16 -1.36 -0.32 5.51 0.00 0.14 -4.98 121.76 120.91 1qjh s ALA 41 Ca -0.00 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.40 1qjh s ALA 41 Cb -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1qjh s ALA 41 CO 0.00 -0.26 0.14 0.42 0.00 0.00 0.00 175.76 176.06 1qjh s ILE 42 N 0.24 4.32 -1.12 0.00 1.01 -1.26 -0.17 121.20 124.21 1qjh s ILE 42 Ca -0.00 -0.67 0.14 0.00 0.00 0.00 0.00 60.65 60.11 1qjh s ILE 42 Cb -0.04 -3.28 0.57 0.00 0.01 0.00 0.00 42.46 39.73 1qjh s ILE 42 CO 0.01 -0.02 1.44 0.18 0.00 0.00 0.00 174.94 176.55 1qjh n LEU 43 N 4.93 3.93 0.00 2.97 4.77 0.10 -5.02 117.00 128.69 1qjh n LEU 43 Ca -0.13 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1qjh n LEU 43 Cb 0.48 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1qjh n LEU 43 CO 0.33 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1qjh n GLY 44 N 0.89 -0.42 3.68 -0.72 0.00 -1.26 -4.79 105.19 102.57 1qjh n GLY 44 Ca 0.20 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1qjh n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qjh s LEU 45 N -1.35 4.19 0.13 0.99 2.96 -1.26 -1.56 118.68 122.78 1qjh s LEU 45 Ca 0.00 1.23 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 1qjh s LEU 45 Cb 0.00 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1qjh s LEU 45 CO 0.00 -0.40 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.48 1qjh s MET 46 N 2.07 0.99 -0.12 1.98 -1.94 0.44 -4.96 119.30 117.76 1qjh s MET 46 Ca 0.40 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1qjh s MET 46 Cb -0.17 -0.69 0.01 0.00 2.01 0.00 0.00 34.83 35.99 1qjh s MET 46 CO 0.13 0.11 -0.18 0.08 -0.01 0.00 0.00 175.02 175.16 1qjh s VAL 47 N -2.69 1.69 -0.28 -6.03 1.01 -1.26 -1.06 120.40 111.78 1qjh s VAL 47 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1qjh s VAL 47 Cb -0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1qjh s VAL 47 CO 0.01 0.48 1.36 -0.22 0.00 0.00 0.00 175.10 176.73 1qjh s LEU 48 N 0.92 3.89 -0.06 3.92 2.96 0.19 -4.86 118.68 125.63 1qjh s LEU 48 Ca -0.07 1.29 0.07 0.00 -0.22 0.00 0.00 54.13 55.20 1qjh s LEU 48 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1qjh s LEU 48 CO -0.02 -1.10 0.59 0.00 -1.32 0.00 0.00 176.35 174.50 1qjh n ALA 49 N 7.74 1.31 -3.42 5.97 0.00 -1.26 -4.82 120.51 126.03 1qjh n ALA 49 Ca 0.15 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 1qjh n ALA 49 Cb 0.46 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 1qjh n ALA 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1qjh s TYR 50 N -2.59 -0.54 1.02 0.00 6.14 -1.26 -4.39 117.35 115.73 1qjh s TYR 50 Ca -0.10 1.28 -0.13 0.00 0.64 0.00 0.00 57.07 58.76 1qjh s TYR 50 Cb 0.08 0.20 0.20 0.00 0.42 0.00 0.00 41.96 42.86 1qjh s TYR 50 CO 0.81 -0.27 1.10 -1.25 0.64 0.00 0.00 175.55 176.58 1qjh s PRO 51 N 0.48 0.24 0.09 4.97 0.04 -1.26 -5.09 135.00 134.47 1qjh s PRO 51 Ca -0.02 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.10 1qjh s PRO 51 Cb -0.04 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 1qjh s PRO 51 CO -0.02 -2.83 1.41 0.42 0.04 0.00 0.00 177.00 176.02 1qjh s ILE 52 N -3.02 3.37 0.14 0.56 1.01 -1.26 -4.99 121.20 117.01 1qjh s ILE 52 Ca 0.66 0.94 -0.18 0.00 0.00 0.00 0.00 60.65 62.07 1qjh s ILE 52 Cb -0.17 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1qjh s ILE 52 CO 0.57 0.05 0.46 0.00 0.00 0.00 0.00 174.94 176.02 1qjh s ALA 53 N 1.47 -1.11 0.52 9.38 0.00 -1.26 -5.15 121.76 125.60 1qjh s ALA 53 Ca 0.65 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1qjh s ALA 53 Cb -0.36 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.44 1qjh s ALA 53 CO 0.30 -0.69 0.99 0.21 0.00 0.00 0.00 175.76 176.57 1qjh s LYS 54 N -3.79 3.93 -1.12 0.00 2.20 -1.26 -4.13 119.74 115.57 1qjh s LYS 54 Ca 0.03 0.94 -0.17 0.00 -0.36 0.00 0.00 55.97 56.41 1qjh s LYS 54 Cb 0.01 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1qjh s LYS 54 CO -0.12 -0.29 0.82 -0.25 -0.36 0.00 0.00 175.35 175.16 1qjh n ASP 55 N -1.64 -5.57 0.26 1.43 8.00 -1.26 -4.88 116.55 112.89 1qjh n ASP 55 Ca 0.06 -0.94 0.15 0.00 0.71 0.00 0.00 54.79 54.78 1qjh n ASP 55 Cb 0.54 -3.85 0.59 0.00 -0.02 0.00 0.00 41.12 38.38 1qjh n ASP 55 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1qjh h PRO 56 N -1.70 0.00 -6.79 -0.24 0.13 -1.88 -3.45 132.00 118.07 1qjh h PRO 56 Ca -0.65 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.00 1qjh h PRO 56 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1qjh h PRO 56 CO 0.47 0.06 0.15 -0.65 -0.23 0.00 0.00 178.00 177.80 1qjh s GLN 57 N -3.63 4.07 0.00 0.86 -0.21 -1.26 -0.64 119.66 118.85 1qjh s GLN 57 Ca 0.01 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.18 1qjh s GLN 57 Cb 0.09 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.70 1qjh s GLN 57 CO 0.58 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 1qjh n GLY 58 N -0.36 0.95 3.73 3.09 0.00 -0.22 -4.38 105.19 108.00 1qjh n GLY 58 Ca 0.04 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1qjh n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjh s TYR 59 N -2.00 3.56 -0.35 1.61 2.02 -0.23 -0.42 117.35 121.54 1qjh s TYR 59 Ca 0.00 1.03 -0.18 0.00 -0.37 0.00 0.00 57.07 57.56 1qjh s TYR 59 Cb 0.00 -2.62 -0.00 0.00 -0.40 0.00 0.00 41.96 38.94 1qjh s TYR 59 CO 0.00 0.19 0.49 0.12 -1.57 0.00 0.00 175.55 174.78 1qjh s PHE 60 N 0.50 3.18 -0.06 2.71 5.36 -0.60 -0.35 117.98 128.71 1qjh s PHE 60 Ca 0.30 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1qjh s PHE 60 Cb -0.16 -2.89 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1qjh s PHE 60 CO 0.13 -0.53 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.81 1qjh s LEU 61 N 2.34 3.29 -0.03 6.12 1.43 0.19 0.02 118.68 132.05 1qjh s LEU 61 Ca 0.18 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1qjh s LEU 61 Cb -0.16 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1qjh s LEU 61 CO 0.13 0.35 -0.01 0.86 0.23 0.00 0.00 176.35 177.91 1qjh s TRP 62 N -0.86 0.35 0.01 0.29 -0.00 0.76 0.06 118.94 119.55 1qjh s TRP 62 Ca 0.13 -0.03 0.04 0.00 -0.00 0.00 0.00 56.10 56.25 1qjh s TRP 62 Cb -0.11 -0.39 -0.01 0.00 -0.00 0.00 0.00 33.47 32.96 1qjh s TRP 62 CO 0.03 -0.11 -0.13 0.71 -0.00 0.00 0.00 176.95 177.45 1qjh s TYR 63 N 0.79 1.14 -0.17 5.86 1.51 -0.32 0.27 117.35 126.43 1qjh s TYR 63 Ca -0.08 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1qjh s TYR 63 Cb -0.11 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1qjh s TYR 63 CO -0.01 0.00 -0.10 -1.14 -1.11 0.00 0.00 175.55 173.19 1qjh s GLN 64 N -0.65 3.36 0.18 -0.62 0.74 -0.13 0.24 119.66 122.78 1qjh s GLN 64 Ca 0.03 -0.67 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1qjh s GLN 64 Cb -0.06 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 1qjh s GLN 64 CO 0.00 0.04 0.16 0.14 -0.55 0.00 0.00 175.29 175.08 1qjh s VAL 65 N 0.81 0.04 -0.15 1.34 -7.23 0.55 -0.82 120.40 114.94 1qjh s VAL 65 Ca -0.04 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1qjh s VAL 65 Cb -0.15 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1qjh s VAL 65 CO 0.01 -0.20 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.71 1qjh s GLU 66 N -4.08 2.85 0.17 4.82 2.12 -0.66 0.41 118.70 124.34 1qjh s GLU 66 Ca 0.29 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 54.69 1qjh s GLU 66 Cb 0.06 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1qjh s GLU 66 CO 0.07 -0.12 0.45 0.00 -0.54 0.00 0.00 175.26 175.12 1qjh s MET 67 N 1.09 1.27 0.21 4.30 0.23 0.57 0.09 119.30 127.06 1qjh s MET 67 Ca -0.01 -0.88 -0.30 0.00 -1.03 0.00 0.00 55.69 53.46 1qjh s MET 67 Cb -0.14 0.48 -0.09 0.00 -1.53 0.00 0.00 34.83 33.55 1qjh s MET 67 CO -0.07 -0.52 1.41 -1.25 -2.03 0.00 0.00 175.02 172.56 1qjh s PRO 68 N -3.87 4.30 0.29 3.16 0.04 -1.26 -0.76 135.00 136.89 1qjh s PRO 68 Ca 0.09 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.36 1qjh s PRO 68 Cb 0.00 -3.15 0.56 0.00 0.04 0.00 0.00 34.50 31.95 1qjh s PRO 68 CO -0.04 -0.39 1.86 0.93 0.04 0.00 0.00 177.00 179.39 1qjh h GLU 69 N 5.48 0.97 0.00 4.56 3.07 -1.91 -2.10 114.58 124.65 1qjh h GLU 69 Ca -0.45 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1qjh h GLU 69 Cb 1.21 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1qjh h GLU 69 CO 0.80 0.64 0.00 0.38 -1.40 0.00 0.00 179.01 179.43 1qjh h ASP 70 N 1.00 0.00 -0.17 1.42 2.03 -1.99 -2.10 116.42 116.61 1qjh h ASP 70 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1qjh h ASP 70 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1qjh h ASP 70 CO -0.23 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.52 1qjh n ARG 71 N -2.99 1.82 -0.04 4.15 5.12 -0.79 -4.61 116.66 119.32 1qjh n ARG 71 Ca -0.03 -1.78 -0.11 0.00 -1.93 0.00 0.00 57.85 54.00 1qjh n ARG 71 Cb 0.08 -1.36 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 1qjh n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1qjh h VAL 72 N 3.39 1.16 -0.47 1.55 2.07 -1.38 -1.29 116.25 121.28 1qjh h VAL 72 Ca 0.00 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1qjh h VAL 72 Cb 0.77 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1qjh h VAL 72 CO 0.00 0.15 -0.03 -1.13 0.02 0.00 0.00 177.57 176.59 1qjh h ASN 73 N 0.09 0.77 -0.25 0.57 -1.24 -1.81 -1.67 115.58 112.03 1qjh h ASN 73 Ca 0.05 -0.20 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 1qjh h ASN 73 Cb 0.19 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1qjh h ASN 73 CO -0.00 0.85 -0.01 0.44 -1.29 0.00 0.00 177.43 177.42 1qjh h ASP 74 N 0.74 0.44 -0.66 1.15 5.19 -1.82 -1.61 116.42 119.84 1qjh h ASP 74 Ca 0.14 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1qjh h ASP 74 Cb 0.48 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1qjh h ASP 74 CO 0.02 0.66 0.39 0.25 -3.12 0.00 0.00 179.24 177.44 1qjh h LEU 75 N 0.22 0.80 -0.33 1.55 7.12 -1.10 -0.81 115.31 122.76 1qjh h LEU 75 Ca 0.07 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.03 1qjh h LEU 75 Cb 0.44 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 1qjh h LEU 75 CO 0.02 0.64 0.17 0.00 -0.13 0.00 0.00 178.44 179.13 1qjh h ALA 76 N 1.20 0.41 -0.63 1.25 0.00 -1.14 0.54 119.26 120.89 1qjh h ALA 76 Ca 0.24 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1qjh h ALA 76 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qjh h ALA 76 CO -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.07 1qjh h ARG 77 N 0.36 1.07 -0.31 0.00 3.08 -1.10 0.11 114.38 117.59 1qjh h ARG 77 Ca 0.14 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.92 1qjh h ARG 77 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1qjh h ARG 77 CO -0.09 1.02 0.05 1.49 -1.07 0.00 0.00 179.97 181.37 1qjh h GLU 78 N 0.98 0.15 -0.34 0.04 4.57 -0.56 -1.45 114.58 117.97 1qjh h GLU 78 Ca 0.19 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1qjh h GLU 78 Cb 0.50 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1qjh h GLU 78 CO 0.02 0.10 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.60 1qjh h LEU 79 N 0.16 0.74 -0.74 1.64 3.38 -0.56 -3.25 115.31 116.68 1qjh h LEU 79 Ca 0.14 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1qjh h LEU 79 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1qjh h LEU 79 CO -0.20 0.98 -0.10 -0.09 0.09 0.00 0.00 178.44 179.13 1qjh h ARG 80 N 0.62 0.86 0.00 1.13 2.43 -0.21 -2.53 114.38 116.67 1qjh h ARG 80 Ca 0.08 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1qjh h ARG 80 Cb 0.79 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1qjh h ARG 80 CO 0.07 0.92 0.00 0.44 -1.51 0.00 0.00 179.97 179.89 1qjh n ILE 81 N -4.16 0.97 -2.07 1.20 -6.64 -0.60 -4.67 119.36 103.39 1qjh n ILE 81 Ca 0.02 0.25 -0.42 0.00 -1.77 0.00 0.00 62.75 60.83 1qjh n ILE 81 Cb 0.37 -1.02 -0.03 0.00 -1.44 0.00 0.00 39.64 37.53 1qjh n ILE 81 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1qjh s ARG 82 N -3.04 4.29 0.28 6.28 0.52 -0.96 -4.91 118.95 121.42 1qjh s ARG 82 Ca 0.07 2.21 -0.03 0.00 -0.52 0.00 0.00 55.73 57.46 1qjh s ARG 82 Cb 0.10 -3.16 0.39 0.00 0.52 0.00 0.00 34.95 32.79 1qjh s ARG 82 CO 0.28 -0.42 1.95 0.22 0.02 0.00 0.00 175.30 177.35 1qjh h ASP 83 N 5.79 1.00 0.90 0.23 3.58 -1.88 -2.23 116.42 123.80 1qjh h ASP 83 Ca -0.44 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1qjh h ASP 83 Cb 1.21 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1qjh h ASP 83 CO 0.82 0.74 0.00 0.59 -2.88 0.00 0.00 179.24 178.51 1qjh n ASN 84 N -4.39 0.15 -4.61 2.28 3.02 -1.26 -4.69 115.26 105.76 1qjh n ASN 84 Ca 0.10 0.52 -0.41 0.00 -0.03 0.00 0.00 54.58 54.76 1qjh n ASN 84 Cb 0.04 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 1qjh n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qjh s VAL 85 N -3.04 4.95 -0.13 2.41 1.01 -0.84 -0.32 120.40 124.44 1qjh s VAL 85 Ca 0.11 0.99 0.18 0.00 0.00 0.00 0.00 61.98 63.26 1qjh s VAL 85 Cb 0.15 -3.97 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 1qjh s VAL 85 CO 0.45 -0.07 0.37 0.54 0.00 0.00 0.00 175.10 176.39 1qjh n ARG 86 N 5.82 0.66 -3.72 2.72 5.12 0.23 -4.79 116.66 122.70 1qjh n ARG 86 Ca -0.01 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1qjh n ARG 86 Cb 0.49 -1.60 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 1qjh n ARG 86 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1qjh s ARG 87 N -2.84 0.55 -0.08 5.56 0.52 -1.16 -4.98 118.95 116.52 1qjh s ARG 87 Ca -0.08 0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1qjh s ARG 87 Cb 0.09 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.85 1qjh s ARG 87 CO 0.84 -0.09 -0.01 0.08 0.02 0.00 0.00 175.30 176.15 1qjh s VAL 88 N 0.01 0.51 -0.16 3.52 1.01 -1.26 -1.51 120.40 122.52 1qjh s VAL 88 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1qjh s VAL 88 Cb -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1qjh s VAL 88 CO 0.01 0.27 -0.08 -0.32 0.00 0.00 0.00 175.10 174.98 1qjh s MET 89 N 1.91 1.71 -0.24 2.72 0.00 -0.25 -4.99 119.30 120.16 1qjh s MET 89 Ca 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 55.69 55.16 1qjh s MET 89 Cb -0.12 -2.00 -0.02 0.00 0.00 0.00 0.00 34.83 32.69 1qjh s MET 89 CO -0.06 -0.36 0.02 0.08 0.00 0.00 0.00 175.02 174.70 1qjh s VAL 90 N 1.58 3.85 -0.09 10.11 1.01 -1.26 0.21 120.40 135.82 1qjh s VAL 90 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1qjh s VAL 90 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1qjh s VAL 90 CO -0.08 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 1qjh s VAL 91 N 1.54 3.18 -0.24 2.92 1.01 -0.19 -4.97 120.40 123.65 1qjh s VAL 91 Ca 0.06 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1qjh s VAL 91 Cb -0.15 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1qjh s VAL 91 CO 0.00 0.56 0.60 -0.75 0.00 0.00 0.00 175.10 175.52 1qjh s LYS 92 N -0.24 4.13 0.00 2.72 2.20 -1.26 -0.59 119.74 126.69 1qjh s LYS 92 Ca 0.02 0.51 0.17 0.00 -0.36 0.00 0.00 55.97 56.30 1qjh s LYS 92 Cb -0.13 -3.63 0.99 0.00 -1.51 0.00 0.00 37.83 33.55 1qjh s LYS 92 CO 0.03 -0.36 1.39 0.43 -0.36 0.00 0.00 175.35 176.49