#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 n GLU 5 N 0.00 -3.99 -3.55 0.00 1.02 -1.26 -5.05 120.64 107.81 2qa4 n GLU 5 Ca 0.00 2.93 -0.26 0.00 -0.02 0.00 0.00 57.16 59.81 2qa4 n GLU 5 Cb 0.00 -3.85 -0.15 0.00 -0.02 0.00 0.00 31.44 27.42 2qa4 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2qa4 s PHE 6 N -0.48 0.14 -0.59 -0.32 5.36 -1.26 -5.04 117.98 115.80 2qa4 s PHE 6 Ca -0.06 -0.49 -0.12 0.00 -0.96 0.00 0.00 56.93 55.30 2qa4 s PHE 6 Cb 0.00 -0.73 -0.11 0.00 -0.34 0.00 0.00 43.02 41.85 2qa4 s PHE 6 CO 0.15 -0.70 1.78 -0.25 -1.46 0.00 0.00 175.22 174.74 2qa4 n ASP 7 N 5.27 2.81 -4.70 6.13 8.00 -1.26 -4.89 116.55 127.92 2qa4 n ASP 7 Ca -0.06 -2.38 -0.42 0.00 0.71 0.00 0.00 54.79 52.64 2qa4 n ASP 7 Cb 0.46 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 2qa4 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 s ALA 8 N 4.59 3.72 0.15 2.24 0.00 -1.26 -4.88 121.76 126.32 2qa4 s ALA 8 Ca 0.40 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 2qa4 s ALA 8 Cb 0.10 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2qa4 s ALA 8 CO 0.06 -0.97 1.38 -0.44 0.00 0.00 0.00 175.76 175.79 2qa4 h ASP 9 N 7.71 0.60 -3.41 0.00 5.19 -0.12 -3.44 116.42 122.95 2qa4 h ASP 9 Ca -0.43 -0.41 -0.51 0.00 -0.62 0.00 0.00 57.03 55.07 2qa4 h ASP 9 Cb 1.20 -0.18 -0.34 0.00 0.18 0.00 0.00 39.33 40.20 2qa4 h ASP 9 CO 0.92 1.17 -0.81 -0.69 -3.12 0.00 0.00 179.24 176.71 2qa4 s VAL 10 N -3.58 1.10 -0.36 -1.35 1.01 -0.70 -5.00 120.40 111.51 2qa4 s VAL 10 Ca -0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2qa4 s VAL 10 Cb 0.10 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.54 2qa4 s VAL 10 CO 0.86 0.35 0.12 -0.63 0.00 0.00 0.00 175.10 175.79 2qa4 s ILE 11 N 0.71 3.27 -0.05 2.22 1.01 -1.26 -1.27 121.20 125.81 2qa4 s ILE 11 Ca -0.14 -1.66 -0.06 0.00 0.00 0.00 0.00 60.65 58.79 2qa4 s ILE 11 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2qa4 s ILE 11 CO 0.03 -0.40 0.20 -0.69 0.00 0.00 0.00 174.94 174.08 2qa4 s VAL 12 N 1.22 5.42 -0.26 2.92 1.01 -0.49 -1.09 120.40 129.13 2qa4 s VAL 12 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2qa4 s VAL 12 Cb -0.21 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2qa4 s VAL 12 CO -0.02 0.47 0.08 -0.62 0.00 0.00 0.00 175.10 175.01 2qa4 s ASP 13 N -1.46 5.13 0.00 3.32 -1.08 0.68 -0.43 116.67 122.84 2qa4 s ASP 13 Ca 0.22 -0.36 0.28 0.00 -0.52 0.00 0.00 52.55 52.17 2qa4 s ASP 13 Cb -0.13 -1.91 1.01 0.00 -1.46 0.00 0.00 42.92 40.42 2qa4 s ASP 13 CO 0.12 -0.09 1.75 0.00 0.52 0.00 0.00 175.17 177.47 2qa4 n ALA 14 N 4.91 2.85 -1.66 3.66 0.00 -0.66 -4.61 120.51 125.01 2qa4 n ALA 14 Ca -0.16 -0.23 -0.53 0.00 0.00 0.00 0.00 53.44 52.52 2qa4 n ALA 14 Cb 0.50 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2qa4 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qa4 n ARG 15 N -1.31 1.54 -1.06 0.00 0.63 -1.25 -0.61 116.66 114.60 2qa4 n ARG 15 Ca 0.09 0.55 -0.02 0.00 -0.92 0.00 0.00 57.85 57.55 2qa4 n ARG 15 Cb 0.32 -2.37 -0.01 0.00 0.45 0.00 0.00 32.46 30.85 2qa4 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qa4 n ASP 16 N 6.55 -4.84 -4.90 6.15 9.92 -0.88 -4.91 116.55 123.63 2qa4 n ASP 16 Ca 0.27 0.05 -0.28 0.00 -0.53 0.00 0.00 54.79 54.30 2qa4 n ASP 16 Cb 0.21 -2.52 -0.04 0.00 -0.64 0.00 0.00 41.12 38.13 2qa4 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qa4 s ILE 18 N -1.64 3.59 0.10 0.00 1.09 -0.24 -1.25 121.20 122.85 2qa4 s ILE 18 Ca 0.34 -0.04 -0.06 0.00 -1.10 0.00 0.00 60.65 59.79 2qa4 s ILE 18 Cb -0.12 -4.45 0.12 0.00 -1.06 0.00 0.00 42.46 36.96 2qa4 s ILE 18 CO 0.27 -1.39 0.63 0.80 -0.10 0.00 0.00 174.94 175.15 2qa4 n MET 19 N 9.12 -0.08 0.28 2.79 0.00 -0.02 -0.92 117.12 128.30 2qa4 n MET 19 Ca 0.22 0.62 -0.15 0.00 -0.00 0.00 0.00 57.70 58.39 2qa4 n MET 19 Cb 0.50 -0.93 -0.08 0.00 0.00 0.00 0.00 33.22 32.71 2qa4 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2qa4 h GLY 20 N 0.00 -1.16 0.03 -5.12 0.00 -1.90 0.30 103.07 95.22 2qa4 h GLY 20 Ca 0.16 0.52 0.22 0.00 0.00 0.00 0.00 47.33 48.23 2qa4 h GLY 20 CO -0.40 -0.37 0.63 3.21 0.00 0.00 0.00 176.54 179.60 2qa4 h ARG 21 N -0.88 0.55 0.30 4.80 3.08 -1.44 0.42 114.38 121.20 2qa4 h ARG 21 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2qa4 h ARG 21 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2qa4 h ARG 21 CO -0.00 0.36 -0.14 0.28 -1.07 0.00 0.00 179.97 179.39 2qa4 h VAL 22 N 0.56 0.70 -0.42 2.04 2.07 -0.78 -2.66 116.25 117.76 2qa4 h VAL 22 Ca 0.58 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.58 2qa4 h VAL 22 Cb 1.18 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2qa4 h VAL 22 CO -0.33 0.12 0.30 0.00 0.02 0.00 0.00 177.57 177.67 2qa4 h ALA 23 N -0.21 2.28 -0.22 1.67 0.00 0.10 -0.57 119.26 122.32 2qa4 h ALA 23 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2qa4 h ALA 23 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qa4 h ALA 23 CO 0.07 -0.39 -0.12 1.03 0.00 0.00 0.00 179.25 179.83 2qa4 h SER 24 N 0.08 0.48 0.48 0.00 0.87 -0.89 -1.54 113.55 113.04 2qa4 h SER 24 Ca 0.20 -0.43 -0.11 0.00 -1.23 0.00 0.00 61.79 60.22 2qa4 h SER 24 Cb 0.67 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2qa4 h SER 24 CO -0.02 0.80 -0.50 1.56 -0.53 0.00 0.00 176.83 178.14 2qa4 h GLN 25 N 0.16 0.02 0.03 2.24 4.20 -0.99 -1.99 115.11 118.79 2qa4 h GLN 25 Ca 0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qa4 h GLN 25 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2qa4 h GLN 25 CO 0.04 0.52 -0.02 0.28 -0.67 0.00 0.00 178.83 178.98 2qa4 h VAL 26 N 0.02 1.29 -0.66 -0.54 2.07 -1.09 -2.55 116.25 114.79 2qa4 h VAL 26 Ca -0.00 -1.06 0.14 0.00 0.82 0.00 0.00 66.70 66.60 2qa4 h VAL 26 Cb 0.90 1.99 -0.10 0.00 -1.52 0.00 0.00 31.29 32.56 2qa4 h VAL 26 CO 0.07 0.27 0.10 0.00 0.02 0.00 0.00 177.57 178.03 2qa4 h ALA 27 N 0.43 0.77 -0.61 1.67 0.00 -1.23 0.21 119.26 120.49 2qa4 h ALA 27 Ca -0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2qa4 h ALA 27 Cb 0.47 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2qa4 h ALA 27 CO 0.01 -0.35 -0.42 1.49 0.00 0.00 0.00 179.25 179.97 2qa4 h GLU 28 N 0.21 -0.19 -0.11 0.00 4.57 -1.25 -1.97 114.58 115.84 2qa4 h GLU 28 Ca 0.36 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.36 2qa4 h GLU 28 Cb 0.58 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2qa4 h GLU 28 CO -0.49 -0.13 -0.69 1.96 -1.18 0.00 0.00 179.01 178.48 2qa4 h GLN 29 N -0.20 0.65 -0.01 1.92 4.20 -0.70 -3.15 115.11 117.82 2qa4 h GLN 29 Ca 0.19 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2qa4 h GLN 29 Cb 0.56 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 2qa4 h GLN 29 CO -0.71 1.17 0.06 0.00 -0.67 0.00 0.00 178.83 178.69 2qa4 h ALA 30 N 0.49 1.19 0.00 3.87 0.00 -0.41 0.45 119.26 124.83 2qa4 h ALA 30 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qa4 h ALA 30 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2qa4 h ALA 30 CO 0.14 -0.07 -0.31 -0.07 0.00 0.00 0.00 179.25 178.94 2qa4 h LEU 31 N 0.00 0.00 -3.06 0.00 3.38 -1.32 -3.15 115.31 111.15 2qa4 h LEU 31 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2qa4 h LEU 31 Cb 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2qa4 h LEU 31 CO -0.00 0.03 0.17 0.47 0.09 0.00 0.00 178.44 179.20 2qa4 n ASP 32 N -2.99 4.11 0.00 -0.43 8.00 0.15 -4.88 116.55 120.51 2qa4 n ASP 32 Ca 0.03 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.68 2qa4 n ASP 32 Cb 0.55 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2qa4 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qa4 n GLY 33 N 0.04 3.04 3.65 0.44 0.00 -1.15 -4.99 105.19 106.22 2qa4 n GLY 33 Ca 0.28 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.76 2qa4 n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qa4 n GLU 34 N -2.00 1.15 -2.91 1.61 -0.58 -0.85 -4.91 120.64 112.16 2qa4 n GLU 34 Ca 0.00 0.42 -0.43 0.00 -0.42 0.00 0.00 57.16 56.73 2qa4 n GLU 34 Cb 0.00 -2.08 -0.04 0.00 -0.57 0.00 0.00 31.44 28.75 2qa4 n GLU 34 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2qa4 s THR 35 N 2.01 4.42 0.14 2.62 2.01 -1.26 -4.08 115.64 121.50 2qa4 s THR 35 Ca 0.91 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.42 2qa4 s THR 35 Cb -1.01 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 66.81 2qa4 s THR 35 CO 0.56 -1.40 0.29 -0.69 -0.69 0.00 0.00 174.62 172.69 2qa4 s VAL 36 N 3.78 5.32 -0.12 3.82 1.01 -1.19 0.66 120.40 133.67 2qa4 s VAL 36 Ca 0.20 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2qa4 s VAL 36 Cb -0.18 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2qa4 s VAL 36 CO 0.09 -0.05 0.15 0.00 0.00 0.00 0.00 175.10 175.29 2qa4 s ALA 37 N -1.71 -0.03 -0.05 5.51 0.00 -0.40 -1.99 121.76 123.09 2qa4 s ALA 37 Ca 0.35 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2qa4 s ALA 37 Cb -0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2qa4 s ALA 37 CO 0.28 -0.81 0.41 0.08 0.00 0.00 0.00 175.76 175.73 2qa4 s VAL 38 N 2.26 5.10 0.21 0.00 1.01 0.93 -1.39 120.40 128.53 2qa4 s VAL 38 Ca 0.04 0.82 0.10 0.00 0.00 0.00 0.00 61.98 62.94 2qa4 s VAL 38 Cb -0.14 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2qa4 s VAL 38 CO -0.07 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 2qa4 s VAL 39 N -0.51 2.09 -1.23 2.92 1.01 0.42 0.77 120.40 125.87 2qa4 s VAL 39 Ca 0.23 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.03 2qa4 s VAL 39 Cb -0.16 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2qa4 s VAL 39 CO 0.11 -0.36 0.79 0.59 0.00 0.00 0.00 175.10 176.23 2qa4 n ASN 40 N -0.12 -2.61 -0.16 3.32 3.02 0.11 -1.65 115.26 117.16 2qa4 n ASN 40 Ca -0.10 -0.80 -0.10 0.00 -0.03 0.00 0.00 54.58 53.55 2qa4 n ASN 40 Cb 0.58 -4.29 -0.00 0.00 -0.61 0.00 0.00 39.78 35.46 2qa4 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qa4 h ALA 41 N 0.73 0.64 -0.30 5.41 0.00 -1.77 -2.60 119.26 121.37 2qa4 h ALA 41 Ca -0.62 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.08 2qa4 h ALA 41 Cb 1.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2qa4 h ALA 41 CO 0.53 0.48 0.47 1.05 0.00 0.00 0.00 179.25 181.77 2qa4 h GLU 42 N 0.71 0.00 -0.73 0.00 9.09 -1.84 0.46 114.58 122.27 2qa4 h GLU 42 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2qa4 h GLU 42 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 2qa4 h GLU 42 CO 0.03 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.63 2qa4 n ARG 43 N -3.39 2.88 -1.77 1.06 1.74 -0.98 -2.48 116.66 113.72 2qa4 n ARG 43 Ca 0.05 -2.70 -0.31 0.00 -0.77 0.00 0.00 57.85 54.12 2qa4 n ARG 43 Cb 0.60 -1.63 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2qa4 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa4 s ALA 44 N -1.14 2.92 0.06 7.54 0.00 0.16 -2.08 121.76 129.21 2qa4 s ALA 44 Ca 0.50 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2qa4 s ALA 44 Cb 0.27 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 2qa4 s ALA 44 CO 0.32 -0.90 -0.14 0.54 0.00 0.00 0.00 175.76 175.58 2qa4 s VAL 45 N -3.09 1.08 -0.15 0.00 0.11 -0.38 -1.84 120.40 116.14 2qa4 s VAL 45 Ca 0.57 -1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2qa4 s VAL 45 Cb -0.12 -1.03 0.05 0.00 -1.53 0.00 0.00 36.38 33.74 2qa4 s VAL 45 CO 0.53 -0.16 0.02 -0.51 -3.33 0.00 0.00 175.10 171.64 2qa4 s ILE 46 N -1.15 0.50 0.95 7.04 2.07 -0.99 -0.84 121.20 128.78 2qa4 s ILE 46 Ca -0.01 -0.30 -0.11 0.00 -1.41 0.00 0.00 60.65 58.82 2qa4 s ILE 46 Cb -0.09 -0.86 0.16 0.00 0.13 0.00 0.00 42.46 41.80 2qa4 s ILE 46 CO 0.02 -0.01 1.08 0.35 -1.91 0.00 0.00 174.94 174.47 2qa4 n THR 47 N 5.08 0.00 0.00 4.00 -2.24 -1.26 -1.97 114.28 117.89 2qa4 n THR 47 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2qa4 n THR 47 Cb 0.48 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2qa4 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa4 n GLY 48 N 0.45 0.45 3.58 3.38 0.00 -0.49 -4.86 105.19 107.70 2qa4 n GLY 48 Ca 0.11 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2qa4 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qa4 s ARG 49 N -0.46 3.72 0.17 1.61 3.52 -1.26 -3.42 118.95 122.83 2qa4 s ARG 49 Ca 0.00 0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 55.62 2qa4 s ARG 49 Cb 0.00 -3.82 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2qa4 s ARG 49 CO 0.00 -0.89 1.56 1.49 -0.81 0.00 0.00 175.30 176.65 2qa4 h GLU 50 N 8.53 -0.17 -0.42 5.12 4.81 -1.93 -1.64 114.58 128.88 2qa4 h GLU 50 Ca -0.25 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2qa4 h GLU 50 Cb 1.09 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2qa4 h GLU 50 CO 0.92 -0.11 0.58 0.93 -0.73 0.00 0.00 179.01 180.60 2qa4 h GLU 51 N -0.17 0.00 0.00 1.92 3.07 -2.00 -1.20 114.58 116.20 2qa4 h GLU 51 Ca 0.18 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.72 2qa4 h GLU 51 Cb 0.54 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.40 2qa4 h GLU 51 CO -0.77 0.00 -1.74 0.00 -1.40 0.00 0.00 179.01 175.10 2qa4 n GLN 52 N -3.42 0.57 -0.32 2.33 -0.00 -0.69 -3.73 117.38 112.12 2qa4 n GLN 52 Ca 0.08 0.46 0.27 0.00 -0.00 0.00 0.00 57.00 57.82 2qa4 n GLN 52 Cb 0.75 -1.65 0.60 0.00 -0.00 0.00 0.00 30.24 29.93 2qa4 n GLN 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2qa4 h ILE 53 N -1.00 0.47 -0.08 -0.39 2.04 -0.57 0.23 117.51 118.21 2qa4 h ILE 53 Ca -0.48 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 2qa4 h ILE 53 Cb 1.42 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2qa4 h ILE 53 CO -0.29 0.04 -0.42 0.58 0.00 0.00 0.00 178.15 178.07 2qa4 h VAL 54 N 0.25 1.40 -0.77 1.67 2.07 -1.43 -2.88 116.25 116.56 2qa4 h VAL 54 Ca 0.59 -1.79 0.11 0.00 0.82 0.00 0.00 66.70 66.43 2qa4 h VAL 54 Cb 1.79 2.28 -0.08 0.00 -1.52 0.00 0.00 31.29 33.76 2qa4 h VAL 54 CO -0.21 0.53 0.40 -0.33 0.02 0.00 0.00 177.57 177.98 2qa4 h GLU 55 N -0.03 0.63 0.64 1.57 5.08 -0.67 1.09 114.58 122.89 2qa4 h GLU 55 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2qa4 h GLU 55 Cb 1.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2qa4 h GLU 55 CO 0.09 0.41 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.80 2qa4 h LYS 56 N 0.65 -1.05 -0.91 2.33 3.64 -1.34 0.51 116.57 120.40 2qa4 h LYS 56 Ca 0.39 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.87 2qa4 h LYS 56 Cb 0.43 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2qa4 h LYS 56 CO -0.29 -0.70 0.60 1.88 -2.27 0.00 0.00 179.45 178.67 2qa4 h TYR 57 N -1.09 1.10 0.60 1.91 -1.99 -0.95 -1.57 116.97 114.98 2qa4 h TYR 57 Ca -0.08 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2qa4 h TYR 57 Cb 0.91 -0.37 0.01 0.00 2.00 0.00 0.00 36.73 39.28 2qa4 h TYR 57 CO -0.18 0.64 -0.29 0.93 -0.00 0.00 0.00 178.16 179.26 2qa4 h GLU 58 N 1.14 -0.78 -0.89 4.88 5.08 0.16 -2.92 114.58 121.25 2qa4 h GLU 58 Ca 0.36 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.95 2qa4 h GLU 58 Cb 0.01 0.18 -0.17 0.00 0.50 0.00 0.00 28.75 29.27 2qa4 h GLU 58 CO -0.11 -0.47 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.00 2qa4 h LYS 59 N -0.98 0.00 -0.11 2.33 1.63 0.60 1.40 116.57 121.44 2qa4 h LYS 59 Ca -0.08 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2qa4 h LYS 59 Cb 0.67 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2qa4 h LYS 59 CO 0.14 0.00 0.17 0.00 -3.45 0.00 0.00 179.45 176.31 2qa4 h ARG 60 N 0.00 0.00 0.23 1.90 3.08 -1.15 -0.20 114.38 118.24 2qa4 h ARG 60 Ca 0.43 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.14 2qa4 h ARG 60 Cb 0.66 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.74 2qa4 h ARG 60 CO -0.91 0.00 -1.58 0.28 -1.07 0.00 0.00 179.97 176.69 2qa4 h VAL 61 N 0.00 1.16 -0.59 2.04 2.07 0.21 -3.31 116.25 117.83 2qa4 h VAL 61 Ca 0.05 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.89 2qa4 h VAL 61 Cb 0.39 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 2qa4 h VAL 61 CO -0.00 0.83 0.23 0.44 0.02 0.00 0.00 177.57 179.09 2qa4 h ASP 62 N 0.13 0.79 -2.70 0.57 3.32 -0.56 -3.43 116.42 114.54 2qa4 h ASP 62 Ca -0.29 -0.10 -0.57 0.00 0.02 0.00 0.00 57.03 56.09 2qa4 h ASP 62 Cb 2.14 -0.20 0.07 0.00 0.22 0.00 0.00 39.33 41.56 2qa4 h ASP 62 CO 0.24 0.71 0.77 -0.38 -1.72 0.00 0.00 179.24 178.86 2qa4 n ILE 63 N -4.32 0.60 0.00 0.35 5.41 -0.30 -4.88 119.36 116.22 2qa4 n ILE 63 Ca 0.05 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2qa4 n ILE 63 Cb 0.17 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 2qa4 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qa4 n GLY 64 N 2.70 0.51 0.00 7.39 0.00 -1.26 -4.34 105.19 110.19 2qa4 n GLY 64 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2qa4 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qa4 n ASN 65 N 0.00 1.29 0.09 1.61 0.23 -1.26 -4.93 115.26 112.29 2qa4 n ASN 65 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 2qa4 n ASN 65 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2qa4 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qa4 h ASP 66 N 0.00 -0.27 -0.37 0.53 3.32 -2.04 -3.30 116.42 114.29 2qa4 h ASP 66 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.90 2qa4 h ASP 66 Cb 0.00 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 2qa4 h ASP 66 CO 0.00 0.24 -0.06 -1.13 -1.72 0.00 0.00 179.24 176.57 2qa4 h ASN 67 N -0.96 -0.29 -4.82 6.45 -0.73 -2.05 -3.48 115.58 109.71 2qa4 h ASN 67 Ca -0.03 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2qa4 h ASN 67 Cb 0.47 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.27 2qa4 h ASN 67 CO 0.05 -0.10 0.00 0.61 -0.37 0.00 0.00 177.43 177.62 2qa4 n GLY 68 N -1.28 1.37 2.32 1.57 0.00 -1.24 -4.96 105.19 102.96 2qa4 n GLY 68 Ca 0.02 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 2qa4 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qa4 n TYR 69 N 1.31 -0.80 -1.59 1.61 9.36 -1.26 -4.83 117.16 120.95 2qa4 n TYR 69 Ca 0.00 -3.34 -0.37 0.00 3.32 0.00 0.00 57.90 57.51 2qa4 n TYR 69 Cb 0.00 0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 38.73 2qa4 n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 2qa4 s PHE 70 N -0.44 1.12 -0.15 2.98 5.36 -1.26 -4.80 117.98 120.79 2qa4 s PHE 70 Ca 0.34 1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 2qa4 s PHE 70 Cb 0.10 -3.63 -0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2qa4 s PHE 70 CO -0.16 -2.60 -0.00 -0.47 -1.46 0.00 0.00 175.22 170.52 2qa4 s TYR 71 N 11.79 3.11 0.70 10.12 5.04 -1.26 -5.09 117.35 141.76 2qa4 s TYR 71 Ca 0.96 -0.10 -0.12 0.00 -2.44 0.00 0.00 57.07 55.37 2qa4 s TYR 71 Cb -0.18 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.20 2qa4 s TYR 71 CO 0.26 0.12 1.07 -1.25 -1.34 0.00 0.00 175.55 174.41 2qa4 s PRO 72 N 0.10 2.79 0.00 4.97 0.04 -1.26 -4.93 135.00 136.71 2qa4 s PRO 72 Ca 0.01 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2qa4 s PRO 72 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2qa4 s PRO 72 CO 0.02 -1.22 0.00 1.63 0.04 0.00 0.00 177.00 177.47 2qa4 n LYS 73 N -3.02 2.81 -2.29 4.56 5.02 -1.26 -4.66 118.16 119.32 2qa4 n LYS 73 Ca 0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 2qa4 n LYS 73 Cb 0.53 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 2qa4 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qa4 s ARG 74 N -1.93 3.48 0.00 1.97 1.81 -1.26 -4.31 118.95 118.70 2qa4 s ARG 74 Ca 0.00 1.42 0.15 0.00 -1.72 0.00 0.00 55.73 55.58 2qa4 s ARG 74 Cb 0.00 -2.04 0.80 0.00 -0.45 0.00 0.00 34.95 33.26 2qa4 s ARG 74 CO 0.00 -0.71 1.40 -0.35 -0.68 0.00 0.00 175.30 174.96 2qa4 n PRO 75 N -1.39 0.28 0.00 3.54 -0.04 -1.26 -1.80 135.00 134.32 2qa4 n PRO 75 Ca 0.10 0.11 -0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2qa4 n PRO 75 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2qa4 n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2qa4 h ASP 76 N 0.00 -0.01 -0.19 3.54 3.32 -1.92 -3.25 116.42 117.92 2qa4 h ASP 76 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2qa4 h ASP 76 Cb 0.11 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 2qa4 h ASP 76 CO 0.00 0.01 -0.22 1.23 -1.72 0.00 0.00 179.24 178.53 2qa4 h GLY 77 N -0.03 -0.17 -0.44 2.75 0.00 -1.89 -2.18 103.07 101.11 2qa4 h GLY 77 Ca -0.00 0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.78 2qa4 h GLY 77 CO 0.00 -0.19 -0.04 -2.22 0.00 0.00 0.00 176.54 174.09 2qa4 h ILE 78 N -0.25 0.29 0.39 2.60 1.08 -1.54 0.26 117.51 120.34 2qa4 h ILE 78 Ca 0.12 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 2qa4 h ILE 78 Cb 0.43 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2qa4 h ILE 78 CO -0.33 0.01 -0.19 0.15 -0.69 0.00 0.00 178.15 177.10 2qa4 h PHE 79 N 0.07 -0.48 -0.90 1.37 -0.00 -1.45 -1.35 116.94 114.19 2qa4 h PHE 79 Ca 0.41 -0.01 0.11 0.00 -0.00 0.00 0.00 57.97 58.48 2qa4 h PHE 79 Cb 0.72 0.16 -0.08 0.00 -0.00 0.00 0.00 35.95 36.75 2qa4 h PHE 79 CO -0.47 -0.16 0.53 -0.22 -0.00 0.00 0.00 178.31 177.99 2qa4 h LYS 80 N -0.85 0.83 -0.25 1.11 3.64 -0.73 0.26 116.57 120.57 2qa4 h LYS 80 Ca -0.05 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2qa4 h LYS 80 Cb 0.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2qa4 h LYS 80 CO 0.09 0.55 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.67 2qa4 h ARG 81 N 0.86 0.40 -0.28 1.90 9.65 -0.50 0.82 114.38 127.23 2qa4 h ARG 81 Ca 0.45 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 59.13 2qa4 h ARG 81 Cb 0.45 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2qa4 h ARG 81 CO -0.27 0.48 -0.26 1.15 2.80 0.00 0.00 179.97 183.87 2qa4 h THR 82 N 0.38 1.30 -0.80 0.20 2.02 0.57 -3.07 112.91 113.53 2qa4 h THR 82 Ca 0.08 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 2qa4 h THR 82 Cb 0.35 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2qa4 h THR 82 CO 0.02 0.45 0.50 0.40 0.37 0.00 0.00 175.52 177.25 2qa4 h ILE 83 N 0.40 1.22 -0.78 3.11 2.04 0.41 -2.61 117.51 121.30 2qa4 h ILE 83 Ca 0.05 -0.45 0.17 0.00 1.00 0.00 0.00 64.86 65.63 2qa4 h ILE 83 Cb 0.82 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.87 2qa4 h ILE 83 CO 0.06 0.22 0.24 -0.09 0.00 0.00 0.00 178.15 178.59 2qa4 h ARG 84 N 1.09 0.31 0.00 2.37 2.43 -0.80 0.91 114.38 120.69 2qa4 h ARG 84 Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2qa4 h ARG 84 Cb -0.07 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2qa4 h ARG 84 CO -0.06 0.21 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 2qa4 n GLY 85 N -1.35 -0.80 1.26 2.80 0.00 -0.98 -0.52 105.19 105.61 2qa4 n GLY 85 Ca 0.16 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.40 2qa4 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qa4 n MET 86 N -2.01 3.06 -4.13 1.61 2.81 0.31 -4.95 117.12 113.82 2qa4 n MET 86 Ca -0.01 -2.62 -0.15 0.00 -1.81 0.00 0.00 57.70 53.11 2qa4 n MET 86 Cb 0.05 -1.62 -0.11 0.00 -0.71 0.00 0.00 33.22 30.83 2qa4 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2qa4 s LEU 87 N -1.32 2.31 -1.38 4.03 1.43 0.33 -4.90 118.68 119.18 2qa4 s LEU 87 Ca 0.44 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2qa4 s LEU 87 Cb 0.25 -0.31 0.09 0.00 0.03 0.00 0.00 46.19 46.26 2qa4 s LEU 87 CO 0.26 -0.19 2.21 -0.81 0.23 0.00 0.00 176.35 178.06 2qa4 n PRO 88 N 1.12 3.68 0.27 1.29 -0.04 -1.26 -4.79 135.00 135.26 2qa4 n PRO 88 Ca -0.20 -3.13 0.13 0.00 -0.04 0.00 0.00 63.50 60.26 2qa4 n PRO 88 Cb 0.55 -2.92 0.72 0.00 -0.04 0.00 0.00 33.50 31.81 2qa4 n PRO 88 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2qa4 h HIS 89 N 5.45 0.00 0.00 0.54 2.07 -1.80 -2.51 115.15 118.89 2qa4 h HIS 89 Ca 0.57 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.92 2qa4 h HIS 89 Cb 0.51 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.46 2qa4 h HIS 89 CO 1.46 0.00 -1.56 1.63 -3.07 0.00 0.00 177.93 176.39 2qa4 n LYS 90 N -2.60 0.63 -2.46 5.12 5.02 -1.26 -3.83 118.16 118.77 2qa4 n LYS 90 Ca -0.02 0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 2qa4 n LYS 90 Cb 0.27 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 2qa4 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qa4 s LYS 91 N -2.95 4.37 0.63 1.97 1.02 -0.94 -4.91 119.74 118.93 2qa4 s LYS 91 Ca -0.04 1.72 0.37 0.00 0.02 0.00 0.00 55.97 58.03 2qa4 s LYS 91 Cb 0.09 -2.88 2.09 0.00 -0.52 0.00 0.00 37.83 36.61 2qa4 s LYS 91 CO 0.82 -0.01 2.29 0.37 -0.92 0.00 0.00 175.35 177.90 2qa4 h GLN 92 N 3.15 0.00 -0.04 1.68 4.15 -1.89 -1.97 115.11 120.20 2qa4 h GLN 92 Ca -0.48 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.85 2qa4 h GLN 92 Cb 1.22 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.91 2qa4 h GLN 92 CO 0.64 0.00 -0.36 -0.09 -1.93 0.00 0.00 178.83 177.09 2qa4 h ARG 93 N 0.00 0.31 0.00 1.69 2.43 -1.91 -3.21 114.38 113.69 2qa4 h ARG 93 Ca 0.01 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 2qa4 h ARG 93 Cb 0.07 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2qa4 h ARG 93 CO -0.00 0.96 -0.14 0.78 -1.51 0.00 0.00 179.97 180.06 2qa4 h GLY 94 N -0.23 0.00 0.76 2.80 0.00 -1.57 -2.57 103.07 102.25 2qa4 h GLY 94 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2qa4 h GLY 94 CO 0.07 0.00 -0.14 -0.09 0.00 0.00 0.00 176.54 176.38 2qa4 h ARG 95 N 0.00 -0.39 -0.52 4.80 2.43 -1.44 -1.15 114.38 118.11 2qa4 h ARG 95 Ca -0.00 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 2qa4 h ARG 95 Cb 0.86 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.41 2qa4 h ARG 95 CO 0.02 -0.11 -0.06 0.93 -1.51 0.00 0.00 179.97 179.24 2qa4 h GLU 96 N -0.65 0.06 -0.97 0.20 5.08 -1.54 0.14 114.58 116.89 2qa4 h GLU 96 Ca -0.04 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2qa4 h GLU 96 Cb 0.46 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2qa4 h GLU 96 CO 0.07 0.04 0.63 0.00 -1.00 0.00 0.00 179.01 178.75 2qa4 h ALA 97 N 1.50 1.31 0.52 3.43 0.00 -1.38 -1.17 119.26 123.47 2qa4 h ALA 97 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2qa4 h ALA 97 Cb 0.40 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qa4 h ALA 97 CO -0.49 0.48 -0.25 0.35 0.00 0.00 0.00 179.25 179.35 2qa4 h PHE 98 N 1.20 -0.65 -0.46 0.00 3.57 0.36 -3.18 116.94 117.77 2qa4 h PHE 98 Ca 0.40 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.02 2qa4 h PHE 98 Cb 0.06 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2qa4 h PHE 98 CO -0.01 -0.40 0.54 0.93 -2.23 0.00 0.00 178.31 177.13 2qa4 h GLU 99 N -0.93 0.00 -0.09 1.11 5.08 -0.74 1.01 114.58 120.03 2qa4 h GLU 99 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2qa4 h GLU 99 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2qa4 h GLU 99 CO 0.12 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.00 2qa4 n SER 100 N -3.60 0.81 -4.36 1.42 3.41 -0.45 -4.79 113.62 106.05 2qa4 n SER 100 Ca 0.09 -1.60 -0.32 0.00 -0.26 0.00 0.00 58.87 56.78 2qa4 n SER 100 Cb 0.72 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.47 2qa4 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qa4 s VAL 101 N -1.89 2.49 0.00 -3.33 1.01 0.35 -3.19 120.40 115.84 2qa4 s VAL 101 Ca 0.28 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2qa4 s VAL 101 Cb 0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2qa4 s VAL 101 CO 0.22 0.58 0.00 -0.13 0.00 0.00 0.00 175.10 175.77 2qa4 s ARG 102 N -0.47 0.15 -0.04 2.72 0.52 -0.84 -4.97 118.95 116.02 2qa4 s ARG 102 Ca 0.06 -0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2qa4 s ARG 102 Cb -0.12 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.37 2qa4 s ARG 102 CO 0.01 -0.02 0.01 0.08 0.02 0.00 0.00 175.30 175.39 2qa4 s VAL 103 N -0.61 4.26 0.06 3.52 1.01 -1.26 -0.05 120.40 127.33 2qa4 s VAL 103 Ca -0.07 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2qa4 s VAL 103 Cb -0.04 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2qa4 s VAL 103 CO -0.00 0.47 -0.15 -0.31 0.00 0.00 0.00 175.10 175.10 2qa4 s TYR 104 N -1.01 1.33 -0.28 5.22 1.51 0.23 -4.90 117.35 119.47 2qa4 s TYR 104 Ca 0.17 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 2qa4 s TYR 104 Cb -0.11 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2qa4 s TYR 104 CO 0.07 0.07 0.76 -0.51 -1.11 0.00 0.00 175.55 174.83 2qa4 s LEU 105 N -1.45 4.08 0.00 -1.29 1.43 -1.26 -2.82 118.68 117.37 2qa4 s LEU 105 Ca 0.01 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2qa4 s LEU 105 Cb -0.09 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2qa4 s LEU 105 CO 0.02 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.67 2qa4 n GLY 106 N 4.07 -0.79 2.94 -3.19 0.00 -1.26 -4.65 105.19 102.31 2qa4 n GLY 106 Ca 0.03 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 2qa4 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qa4 s ASN 107 N -4.00 4.28 -0.06 1.61 3.04 -1.26 0.08 114.94 118.64 2qa4 s ASN 107 Ca 0.00 -1.64 0.11 0.00 0.04 0.00 0.00 52.86 51.37 2qa4 s ASN 107 Cb 0.00 -1.32 0.42 0.00 -1.54 0.00 0.00 41.25 38.81 2qa4 s ASN 107 CO 0.00 -0.32 1.29 -0.81 -3.04 0.00 0.00 177.10 174.22 2qa4 n PRO 108 N 4.53 2.52 -3.57 0.43 -0.04 -1.26 -4.91 135.00 132.69 2qa4 n PRO 108 Ca -0.05 -1.68 -0.23 0.00 -0.04 0.00 0.00 63.50 61.50 2qa4 n PRO 108 Cb 0.43 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2qa4 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qa4 s TYR 109 N -1.66 1.89 -0.10 0.54 1.51 -1.26 -5.07 117.35 113.20 2qa4 s TYR 109 Ca 0.30 -0.71 0.12 0.00 -1.01 0.00 0.00 57.07 55.77 2qa4 s TYR 109 Cb 0.19 -2.07 -0.24 0.00 -0.11 0.00 0.00 41.96 39.74 2qa4 s TYR 109 CO 0.16 -0.54 0.43 -0.25 -1.11 0.00 0.00 175.55 174.24 2qa4 n ASP 110 N -1.82 0.82 -4.89 2.29 8.00 -1.26 -4.92 116.55 114.77 2qa4 n ASP 110 Ca 0.04 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.49 2qa4 n ASP 110 Cb 0.63 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 2qa4 n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qa4 s GLU 111 N -2.56 3.70 0.37 -1.24 2.02 -1.26 -5.06 118.70 114.68 2qa4 s GLU 111 Ca -0.09 0.10 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 2qa4 s GLU 111 Cb 0.07 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.52 2qa4 s GLU 111 CO 0.81 0.31 1.11 -0.51 0.02 0.00 0.00 175.26 177.00 2qa4 s ASP 112 N -2.65 6.79 0.96 -0.19 1.11 -1.26 -5.00 116.67 116.42 2qa4 s ASP 112 Ca 0.45 2.21 -0.12 0.00 0.18 0.00 0.00 52.55 55.27 2qa4 s ASP 112 Cb -0.11 -2.61 0.17 0.00 1.07 0.00 0.00 42.92 41.44 2qa4 s ASP 112 CO 0.25 -0.48 1.09 -0.83 1.18 0.00 0.00 175.17 176.39 2qa4 s GLY 113 N -1.24 1.58 0.17 0.21 0.00 -1.26 -5.02 107.32 101.76 2qa4 s GLY 113 Ca 0.54 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.03 2qa4 s GLY 113 CO 0.35 0.29 0.15 -1.83 0.00 0.00 0.00 173.10 172.06 2qa4 s GLU 114 N -4.97 2.93 -0.33 2.90 -1.05 -0.25 -4.63 118.70 113.30 2qa4 s GLU 114 Ca 0.65 -0.86 -0.10 0.00 -0.15 0.00 0.00 54.97 54.51 2qa4 s GLU 114 Cb -0.18 -2.66 0.01 0.00 -0.44 0.00 0.00 34.13 30.85 2qa4 s GLU 114 CO 0.57 0.48 0.17 0.08 0.95 0.00 0.00 175.26 177.51 2qa4 s VAL 115 N -1.76 4.55 0.51 1.83 1.01 -1.26 -0.23 120.40 125.05 2qa4 s VAL 115 Ca 0.31 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2qa4 s VAL 115 Cb -0.10 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2qa4 s VAL 115 CO 0.24 -0.04 1.34 0.18 0.00 0.00 0.00 175.10 176.82 2qa4 n LEU 116 N 4.98 5.13 -4.71 3.92 4.77 -1.26 -4.90 117.00 124.92 2qa4 n LEU 116 Ca -0.13 1.02 -0.40 0.00 -0.03 0.00 0.00 56.01 56.47 2qa4 n LEU 116 Cb 0.48 -1.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 2qa4 n LEU 116 CO 0.35 -0.57 0.90 0.47 -1.33 0.00 0.00 177.39 177.21 2qa4 n ASP 117 N -0.63 2.57 -0.31 -1.43 8.00 -1.26 -2.50 116.55 120.98 2qa4 n ASP 117 Ca 0.09 1.07 -0.04 0.00 0.71 0.00 0.00 54.79 56.62 2qa4 n ASP 117 Cb 0.43 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.00 2qa4 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qa4 n GLY 118 N 0.80 0.42 0.03 0.44 0.00 -1.26 -4.76 105.19 100.85 2qa4 n GLY 118 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2qa4 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qa4 n THR 119 N -2.15 0.10 -2.40 2.61 -2.24 -1.04 -4.93 114.28 104.22 2qa4 n THR 119 Ca -0.04 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 2qa4 n THR 119 Cb 0.50 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 2qa4 n THR 119 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qa4 s SER 120 N -4.44 7.06 0.02 3.42 0.01 -1.26 -1.07 113.70 117.43 2qa4 s SER 120 Ca -0.04 2.03 -0.13 0.00 1.31 0.00 0.00 55.95 59.12 2qa4 s SER 120 Cb 0.14 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2qa4 s SER 120 CO 0.88 -0.49 0.39 -0.22 0.41 0.00 0.00 173.24 174.22 2qa4 s LEU 121 N 1.11 4.44 -0.58 2.44 2.96 0.12 -4.92 118.68 124.26 2qa4 s LEU 121 Ca 0.59 0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 55.20 2qa4 s LEU 121 Cb -0.30 -2.67 0.09 0.00 0.50 0.00 0.00 46.19 43.81 2qa4 s LEU 121 CO 0.29 0.29 0.72 -0.62 -1.32 0.00 0.00 176.35 175.71 2qa4 s ASP 122 N -1.25 6.20 0.52 3.68 2.15 -1.26 -4.91 116.67 121.80 2qa4 s ASP 122 Ca 0.26 -1.22 0.17 0.00 0.43 0.00 0.00 52.55 52.19 2qa4 s ASP 122 Cb -0.16 -2.31 1.29 0.00 -0.30 0.00 0.00 42.92 41.44 2qa4 s ASP 122 CO 0.14 -1.09 2.15 0.03 -0.17 0.00 0.00 175.17 176.23 2qa4 h ARG 123 N 9.18 0.00 0.00 4.34 3.08 -1.95 -1.35 114.38 127.68 2qa4 h ARG 123 Ca -0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 2qa4 h ARG 123 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2qa4 h ARG 123 CO 1.07 0.00 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.49 2qa4 h LEU 124 N 0.00 0.00 -1.11 3.04 3.38 -2.06 -3.23 115.31 115.32 2qa4 h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qa4 h LEU 124 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qa4 h LEU 124 CO 0.00 0.42 -0.28 -1.20 0.09 0.00 0.00 178.44 177.47 2qa4 n SER 125 N -3.57 1.93 -3.85 -0.43 7.64 -0.60 -4.96 113.62 109.78 2qa4 n SER 125 Ca -0.00 -1.46 -0.17 0.00 1.01 0.00 0.00 58.87 58.25 2qa4 n SER 125 Cb 0.53 0.36 -0.16 0.00 -1.01 0.00 0.00 64.21 63.93 2qa4 n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qa4 s ASN 126 N -1.92 0.45 -0.00 6.43 0.01 -0.65 -5.01 114.94 114.25 2qa4 s ASN 126 Ca 0.16 -0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 2qa4 s ASN 126 Cb 0.14 -0.20 -0.05 0.00 0.41 0.00 0.00 41.25 41.55 2qa4 s ASN 126 CO 0.39 -0.07 0.13 0.00 -1.51 0.00 0.00 177.10 176.04 2qa4 n ILE 127 N 3.89 0.00 -3.30 0.60 3.06 -1.26 -4.67 119.36 117.67 2qa4 n ILE 127 Ca -0.24 -0.25 -0.46 0.00 -2.50 0.00 0.00 62.75 59.30 2qa4 n ILE 127 Cb 0.52 0.70 -0.01 0.00 0.54 0.00 0.00 39.64 41.39 2qa4 n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2qa4 s LYS 128 N -1.83 3.88 0.23 9.51 1.02 -1.26 -5.00 119.74 126.29 2qa4 s LYS 128 Ca -0.00 -2.76 -0.22 0.00 0.02 0.00 0.00 55.97 53.00 2qa4 s LYS 128 Cb 0.03 -4.53 0.04 0.00 -0.52 0.00 0.00 37.83 32.85 2qa4 s LYS 128 CO 0.16 -1.31 0.81 -0.59 -0.92 0.00 0.00 175.35 173.51 2qa4 s PHE 129 N -0.30 -0.16 0.04 3.18 -0.12 -1.22 -1.40 117.98 118.00 2qa4 s PHE 129 Ca 0.25 -0.24 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 2qa4 s PHE 129 Cb -0.10 0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 2qa4 s PHE 129 CO -0.08 -1.09 -0.11 0.08 -0.05 0.00 0.00 175.22 173.96 2qa4 s VAL 130 N -3.67 0.87 -0.09 -2.49 1.01 -0.83 -4.87 120.40 110.34 2qa4 s VAL 130 Ca 0.12 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2qa4 s VAL 130 Cb -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2qa4 s VAL 130 CO 0.05 -0.10 0.51 -0.89 0.00 0.00 0.00 175.10 174.68 2qa4 s THR 131 N -0.92 5.12 0.28 3.92 2.01 -1.26 -2.36 115.64 122.44 2qa4 s THR 131 Ca -0.02 1.03 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 2qa4 s THR 131 Cb -0.08 -3.85 0.33 0.00 0.01 0.00 0.00 72.50 68.92 2qa4 s THR 131 CO 0.01 0.35 1.62 -0.07 -0.69 0.00 0.00 174.62 175.84 2qa4 h LEU 132 N 6.42 -0.31 -0.83 4.42 3.38 -1.44 0.35 115.31 127.29 2qa4 h LEU 132 Ca -0.42 0.23 0.18 0.00 0.09 0.00 0.00 57.88 57.95 2qa4 h LEU 132 Cb 1.19 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 42.20 2qa4 h LEU 132 CO 0.74 -0.23 0.35 1.23 0.09 0.00 0.00 178.44 180.61 2qa4 h GLY 133 N 0.10 1.34 1.00 0.83 0.00 -1.77 0.14 103.07 104.71 2qa4 h GLY 133 Ca 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2qa4 h GLY 133 CO -0.75 -0.18 -0.21 0.83 0.00 0.00 0.00 176.54 176.23 2qa4 h GLU 134 N 0.43 -0.55 -0.32 4.80 5.08 -0.62 -0.21 114.58 123.19 2qa4 h GLU 134 Ca 0.49 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.95 2qa4 h GLU 134 Cb 0.84 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2qa4 h GLU 134 CO -0.47 -0.37 -0.11 0.82 -1.00 0.00 0.00 179.01 177.89 2qa4 h ILE 135 N -0.58 0.62 0.25 3.13 2.04 -0.91 0.19 117.51 122.25 2qa4 h ILE 135 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2qa4 h ILE 135 Cb 0.44 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2qa4 h ILE 135 CO 0.10 0.00 -0.52 0.28 0.00 0.00 0.00 178.15 178.00 2qa4 h SER 136 N -0.04 -1.53 -0.85 1.72 0.02 -0.55 0.51 113.55 112.84 2qa4 h SER 136 Ca 0.16 0.15 0.18 0.00 -0.84 0.00 0.00 61.79 61.44 2qa4 h SER 136 Cb 0.28 0.55 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 2qa4 h SER 136 CO -0.35 -0.60 0.57 -0.33 -1.14 0.00 0.00 176.83 174.97 2qa4 h GLU 137 N -0.84 0.41 0.07 3.45 5.08 -0.44 0.17 114.58 122.48 2qa4 h GLU 137 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qa4 h GLU 137 Cb 0.80 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2qa4 h GLU 137 CO -0.21 0.27 -0.03 1.15 -1.00 0.00 0.00 179.01 179.18 2qa4 h THR 138 N 0.42 1.13 0.00 1.13 2.02 0.76 -2.44 112.91 115.93 2qa4 h THR 138 Ca 0.44 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2qa4 h THR 138 Cb 1.04 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2qa4 h THR 138 CO -0.16 0.17 0.16 -0.07 0.37 0.00 0.00 175.52 175.99 2qa4 h LEU 139 N -0.40 0.00 0.00 2.58 3.38 0.20 -3.44 115.31 117.62 2qa4 h LEU 139 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qa4 h LEU 139 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2qa4 h LEU 139 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2qa4 n GLY 140 N -1.16 1.56 3.85 0.83 0.00 -0.63 -5.09 105.19 104.55 2qa4 n GLY 140 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2qa4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 141 N -2.00 3.14 -0.27 4.61 0.00 -0.75 -5.00 121.76 121.48 2qa4 s ALA 141 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 2qa4 s ALA 141 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.11 2qa4 s ALA 141 CO 0.00 -0.16 1.10 1.21 0.00 0.00 0.00 175.76 177.91 2qa4 s ASN 142 N -3.05 6.97 -0.79 0.00 3.84 -1.26 -4.49 114.94 116.17 2qa4 s ASN 142 Ca 0.57 1.25 -0.25 0.00 0.21 0.00 0.00 52.86 54.63 2qa4 s ASN 142 Cb -0.10 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.04 2qa4 s ASN 142 CO 0.30 -0.81 1.80 -0.75 -2.79 0.00 0.00 177.10 174.85 2qa4 s LYS 143 N 3.52 2.75 -0.02 0.43 2.20 -1.26 -4.73 119.74 122.63 2qa4 s LYS 143 Ca 0.47 -0.03 0.19 0.00 -0.36 0.00 0.00 55.97 56.23 2qa4 s LYS 143 Cb -0.15 -4.75 -0.21 0.00 -1.51 0.00 0.00 37.83 31.21 2qa4 s LYS 143 CO 0.13 -2.89 0.54 -2.37 -0.36 0.00 0.00 175.35 170.40 2qa4 n THR 144 N 7.37 0.91 1.54 3.43 5.66 -1.26 -5.21 114.28 126.73 2qa4 n THR 144 Ca 0.28 -0.68 0.12 0.00 -3.05 0.00 0.00 64.05 60.72 2qa4 n THR 144 Cb 0.50 -0.46 0.73 0.00 -1.55 0.00 0.00 70.33 69.55 2qa4 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35