#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 n LYS 8 N 0.00 0.00 -3.32 2.89 2.85 -1.26 -5.09 118.16 114.23 2qa4 n LYS 8 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2qa4 n LYS 8 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2qa4 n LYS 8 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2qa4 s THR 9 N -2.02 5.10 0.05 0.58 2.01 -1.26 -4.93 115.64 115.18 2qa4 s THR 9 Ca 0.00 0.26 -0.34 0.00 0.31 0.00 0.00 61.69 61.92 2qa4 s THR 9 Cb 0.00 -3.87 -0.19 0.00 0.01 0.00 0.00 72.50 68.44 2qa4 s THR 9 CO 0.00 -0.12 1.51 1.05 -0.69 0.00 0.00 174.62 176.38 2qa4 h GLU 10 N 8.42 -1.09 -6.71 4.92 9.09 -2.07 -3.42 114.58 123.72 2qa4 h GLU 10 Ca -0.29 0.07 -0.50 0.00 0.05 0.00 0.00 59.36 58.70 2qa4 h GLU 10 Cb 1.14 0.25 -0.02 0.00 -1.65 0.00 0.00 28.75 28.46 2qa4 h GLU 10 CO 0.72 -0.72 0.29 0.99 0.05 0.00 0.00 179.01 180.35 2qa4 s THR 11 N -5.78 4.20 -0.18 -1.06 2.01 -1.26 -5.05 115.64 108.51 2qa4 s THR 11 Ca -0.18 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 2qa4 s THR 11 Cb 0.02 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2qa4 s THR 11 CO 0.58 0.43 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.21 2qa4 s ILE 12 N -1.27 3.11 0.37 1.82 1.01 -1.26 -5.07 121.20 119.90 2qa4 s ILE 12 Ca 0.41 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 2qa4 s ILE 12 Cb -0.23 -2.37 -0.15 0.00 0.01 0.00 0.00 42.46 39.72 2qa4 s ILE 12 CO 0.28 0.47 0.32 -2.65 0.00 0.00 0.00 174.94 173.37 2qa4 n PRO 13 N 4.31 0.19 -0.03 2.79 -0.02 -1.26 -4.88 135.00 136.09 2qa4 n PRO 13 Ca -0.18 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.23 2qa4 n PRO 13 Cb 0.51 -1.16 -0.11 0.00 -0.02 0.00 0.00 33.50 32.73 2qa4 n PRO 13 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qa4 h GLU 14 N 0.62 -0.02 -0.71 -0.52 5.08 -2.00 -3.06 114.58 113.97 2qa4 h GLU 14 Ca -0.36 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.21 2qa4 h GLU 14 Cb 1.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 2qa4 h GLU 14 CO 0.50 0.67 0.56 0.11 -1.00 0.00 0.00 179.01 179.86 2qa4 h TRP 15 N -0.76 0.00 -0.17 4.33 5.08 -1.99 0.42 115.95 122.86 2qa4 h TRP 15 Ca -0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 2qa4 h TRP 15 Cb 0.71 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.87 2qa4 h TRP 15 CO 0.17 0.00 -0.37 0.87 -1.28 0.00 0.00 178.44 177.83 2qa4 h LYS 16 N 0.00 0.55 -0.24 0.12 1.57 -1.92 -2.93 116.57 113.72 2qa4 h LYS 16 Ca 0.34 -0.37 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2qa4 h LYS 16 Cb 1.46 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.82 2qa4 h LYS 16 CO -0.00 0.98 -0.63 1.96 -0.57 0.00 0.00 179.45 181.19 2qa4 h GLN 17 N 0.20 0.85 0.00 3.15 4.20 -0.18 -0.94 115.11 122.39 2qa4 h GLN 17 Ca 0.00 -0.59 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 2qa4 h GLN 17 Cb 0.98 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 2qa4 h GLN 17 CO 0.08 1.21 -0.05 1.49 -0.67 0.00 0.00 178.83 180.89 2qa4 h GLU 18 N 0.63 0.00 0.08 1.46 4.81 -0.94 0.42 114.58 121.03 2qa4 h GLU 18 Ca -0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2qa4 h GLU 18 Cb 1.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.63 2qa4 h GLU 18 CO 0.14 0.05 -0.58 1.49 -0.73 0.00 0.00 179.01 179.38 2qa4 h GLU 19 N 0.00 0.17 -0.95 1.92 4.57 -1.34 -1.21 114.58 117.74 2qa4 h GLU 19 Ca -0.00 -0.29 0.22 0.00 -1.18 0.00 0.00 59.36 58.11 2qa4 h GLU 19 Cb 0.14 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.76 2qa4 h GLU 19 CO 0.01 1.14 0.62 0.28 -1.18 0.00 0.00 179.01 179.88 2qa4 h VAL 20 N -0.63 0.64 0.00 0.32 2.07 -0.04 0.13 116.25 118.73 2qa4 h VAL 20 Ca -0.11 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2qa4 h VAL 20 Cb 1.40 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2qa4 h VAL 20 CO 0.07 0.08 -0.16 0.44 0.02 0.00 0.00 177.57 178.02 2qa4 h ASP 21 N 0.42 0.00 -0.36 0.57 3.32 -1.01 -3.24 116.42 116.13 2qa4 h ASP 21 Ca 0.51 -0.37 0.11 0.00 0.02 0.00 0.00 57.03 57.30 2qa4 h ASP 21 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2qa4 h ASP 21 CO -0.21 0.77 0.31 0.00 -1.72 0.00 0.00 179.24 178.39 2qa4 h ALA 22 N -0.63 2.19 0.00 3.45 0.00 -0.79 0.20 119.26 123.67 2qa4 h ALA 22 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2qa4 h ALA 22 Cb 0.49 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2qa4 h ALA 22 CO -0.02 -0.50 -0.71 0.97 0.00 0.00 0.00 179.25 179.00 2qa4 h ILE 23 N 0.00 1.49 0.00 0.00 2.10 -0.89 -2.89 117.51 117.32 2qa4 h ILE 23 Ca 0.17 -2.45 -0.12 0.00 1.08 0.00 0.00 64.86 63.54 2qa4 h ILE 23 Cb 0.79 2.33 -0.02 0.00 -1.09 0.00 0.00 36.82 38.83 2qa4 h ILE 23 CO -0.00 0.70 -0.58 0.58 -1.08 0.00 0.00 178.15 177.76 2qa4 h VAL 24 N 0.00 1.29 0.00 2.19 2.07 -0.64 -2.91 116.25 118.25 2qa4 h VAL 24 Ca -0.01 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 2qa4 h VAL 24 Cb 1.27 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2qa4 h VAL 24 CO 0.09 0.57 -0.05 -0.08 0.02 0.00 0.00 177.57 178.12 2qa4 h GLU 25 N 0.00 0.00 -0.04 1.57 4.81 -1.24 0.28 114.58 119.96 2qa4 h GLU 25 Ca -0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2qa4 h GLU 25 Cb 1.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.51 2qa4 h GLU 25 CO 0.08 0.05 -0.71 0.52 -0.73 0.00 0.00 179.01 178.22 2qa4 h MET 26 N 0.00 0.55 -0.26 1.92 2.86 -1.57 -2.89 114.93 115.54 2qa4 h MET 26 Ca -0.00 -0.54 -0.17 0.00 -2.06 0.00 0.00 59.70 56.93 2qa4 h MET 26 Cb 0.10 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2qa4 h MET 26 CO 0.01 1.17 -0.50 0.82 1.06 0.00 0.00 176.91 179.46 2qa4 h ILE 27 N 0.14 1.29 -0.55 -1.22 1.08 -1.37 -3.09 117.51 113.79 2qa4 h ILE 27 Ca -0.08 -1.71 0.04 0.00 -0.39 0.00 0.00 64.86 62.73 2qa4 h ILE 27 Cb 1.38 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.72 2qa4 h ILE 27 CO 0.14 0.55 0.30 -0.33 -0.69 0.00 0.00 178.15 178.12 2qa4 h GLU 28 N 0.57 0.57 0.00 2.37 5.08 -1.03 -3.43 114.58 118.71 2qa4 h GLU 28 Ca 0.02 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2qa4 h GLU 28 Cb 1.07 -0.13 0.08 0.00 0.50 0.00 0.00 28.75 30.27 2qa4 h GLU 28 CO 0.11 0.38 0.05 0.43 -1.00 0.00 0.00 179.01 178.97 2qa4 n SER 29 N -4.83 -1.37 0.00 1.42 7.64 -1.09 -4.85 113.62 110.54 2qa4 n SER 29 Ca 0.05 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2qa4 n SER 29 Cb 0.12 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2qa4 n SER 29 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2qa4 n TYR 30 N -3.39 0.00 -2.89 1.43 4.01 -1.26 -4.65 117.16 110.41 2qa4 n TYR 30 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 2qa4 n TYR 30 Cb 0.23 0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.30 2qa4 n TYR 30 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2qa4 n GLU 31 N 0.84 0.69 -4.03 -0.72 2.13 -1.25 -4.75 120.64 113.56 2qa4 n GLU 31 Ca 0.00 -2.20 -0.44 0.00 0.66 0.00 0.00 57.16 55.17 2qa4 n GLU 31 Cb 0.00 -1.42 0.02 0.00 0.27 0.00 0.00 31.44 30.31 2qa4 n GLU 31 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2qa4 n SER 32 N 1.86 -4.30 -3.88 4.31 3.41 -1.26 -4.78 113.62 108.99 2qa4 n SER 32 Ca 0.14 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.39 2qa4 n SER 32 Cb 0.59 -1.79 -0.11 0.00 -0.26 0.00 0.00 64.21 62.64 2qa4 n SER 32 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qa4 s VAL 33 N -3.48 0.05 0.00 -3.33 1.01 -1.26 -2.97 120.40 110.42 2qa4 s VAL 33 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2qa4 s VAL 33 Cb -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2qa4 s VAL 33 CO 0.96 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.44 2qa4 n GLY 34 N 2.19 -1.54 3.56 4.51 0.00 -1.24 -4.16 105.19 108.50 2qa4 n GLY 34 Ca -0.18 0.78 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 2qa4 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 35 N 0.00 4.82 -0.09 1.61 1.01 -1.25 -4.56 120.40 121.93 2qa4 s VAL 35 Ca 0.00 0.54 -0.39 0.00 0.00 0.00 0.00 61.98 62.13 2qa4 s VAL 35 Cb 0.00 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 2qa4 s VAL 35 CO 0.00 -0.44 1.51 0.52 0.00 0.00 0.00 175.10 176.69 2qa4 n VAL 36 N 5.75 0.13 -4.43 2.92 0.31 -1.25 -3.10 118.33 118.66 2qa4 n VAL 36 Ca 0.00 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 2qa4 n VAL 36 Cb 0.48 -0.94 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 2qa4 n VAL 36 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2qa4 s ASN 37 N 1.85 4.09 -0.20 4.52 0.01 -0.85 -3.95 114.94 120.41 2qa4 s ASN 37 Ca 0.91 -1.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.77 2qa4 s ASN 37 Cb -1.04 -0.40 0.06 0.00 0.41 0.00 0.00 41.25 40.28 2qa4 s ASN 37 CO 0.56 -0.50 0.04 -0.51 -1.51 0.00 0.00 177.10 175.18 2qa4 s ILE 38 N -2.67 0.57 0.16 0.60 2.07 -1.25 -2.86 121.20 117.81 2qa4 s ILE 38 Ca 0.37 -0.62 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 2qa4 s ILE 38 Cb 0.07 -1.09 0.04 0.00 0.13 0.00 0.00 42.46 41.61 2qa4 s ILE 38 CO 0.19 -0.23 0.22 0.00 -1.91 0.00 0.00 174.94 173.21 2qa4 n ALA 39 N 5.03 -0.20 0.00 1.50 0.00 -1.20 -4.49 120.51 121.14 2qa4 n ALA 39 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2qa4 n ALA 39 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2qa4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 40 N 3.54 0.00 3.16 0.00 0.00 -1.26 -5.00 105.19 105.64 2qa4 n GLY 40 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2qa4 n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qa4 s ILE 41 N 0.00 1.07 0.90 -0.61 1.01 -1.26 -5.13 121.20 117.18 2qa4 s ILE 41 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 2qa4 s ILE 41 Cb 0.00 -1.03 0.14 0.00 0.01 0.00 0.00 42.46 41.58 2qa4 s ILE 41 CO 0.00 -0.22 1.14 -2.84 0.00 0.00 0.00 174.94 173.02 2qa4 s PRO 42 N -1.69 1.11 0.32 2.79 0.02 -1.26 -4.82 135.00 131.46 2qa4 s PRO 42 Ca -0.02 1.53 0.16 0.00 0.02 0.00 0.00 61.00 62.69 2qa4 s PRO 42 Cb -0.10 -1.74 0.39 0.00 0.02 0.00 0.00 34.50 33.07 2qa4 s PRO 42 CO 0.02 -2.56 1.60 0.66 -0.33 0.00 0.00 177.00 176.38 2qa4 h SER 43 N -1.81 0.00 0.30 2.53 4.64 -2.00 -2.18 113.55 115.02 2qa4 h SER 43 Ca -0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 2qa4 h SER 43 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2qa4 h SER 43 CO 0.42 0.49 -0.30 -0.09 -0.87 0.00 0.00 176.83 176.48 2qa4 h ARG 44 N 0.00 0.00 0.01 4.77 9.65 -2.02 -3.21 114.38 123.59 2qa4 h ARG 44 Ca -0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.58 2qa4 h ARG 44 Cb 1.14 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.67 2qa4 h ARG 44 CO 0.06 0.30 -1.73 0.94 2.80 0.00 0.00 179.97 182.34 2qa4 n GLN 45 N -4.18 0.64 0.10 0.20 -0.06 -1.01 -3.69 117.38 109.37 2qa4 n GLN 45 Ca -0.02 0.30 0.03 0.00 -2.00 0.00 0.00 57.00 55.30 2qa4 n GLN 45 Cb 0.34 -1.79 0.40 0.00 -4.06 0.00 0.00 30.24 25.14 2qa4 n GLN 45 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2qa4 h LEU 46 N 0.01 0.28 0.00 1.69 3.38 -1.40 -2.27 115.31 116.99 2qa4 h LEU 46 Ca -0.30 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2qa4 h LEU 46 Cb 2.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2qa4 h LEU 46 CO 0.08 0.37 -0.33 1.56 0.09 0.00 0.00 178.44 180.21 2qa4 h GLN 47 N 0.30 0.00 -0.20 1.13 4.20 -1.70 1.22 115.11 120.06 2qa4 h GLN 47 Ca 0.07 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2qa4 h GLN 47 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2qa4 h GLN 47 CO 0.01 0.32 -0.39 -0.44 -0.67 0.00 0.00 178.83 177.66 2qa4 h ASP 48 N 0.00 0.47 0.43 1.46 5.19 -1.50 -2.87 116.42 119.60 2qa4 h ASP 48 Ca -0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2qa4 h ASP 48 Cb 1.25 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2qa4 h ASP 48 CO 0.04 0.82 -1.46 1.15 -3.12 0.00 0.00 179.24 176.67 2qa4 n MET 49 N -4.03 0.56 0.00 3.56 0.00 -0.91 -3.84 117.12 112.46 2qa4 n MET 49 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 57.70 57.76 2qa4 n MET 49 Cb 0.49 -1.64 0.63 0.00 0.00 0.00 0.00 33.22 32.71 2qa4 n MET 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qa4 n ARG 50 N -2.34 0.34 0.11 3.17 1.74 0.42 -2.63 116.66 117.47 2qa4 n ARG 50 Ca -0.01 0.05 0.10 0.00 -0.77 0.00 0.00 57.85 57.21 2qa4 n ARG 50 Cb 0.53 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.93 2qa4 n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qa4 n ARG 51 N -1.30 0.14 -1.54 5.56 1.74 -1.09 -4.26 116.66 115.90 2qa4 n ARG 51 Ca 0.12 0.46 -0.39 0.00 -0.77 0.00 0.00 57.85 57.27 2qa4 n ARG 51 Cb 0.21 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 2qa4 n ARG 51 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qa4 n ASP 52 N -2.08 2.21 -4.83 0.55 8.00 -1.08 -4.59 116.55 114.73 2qa4 n ASP 52 Ca 0.01 -0.23 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 2qa4 n ASP 52 Cb 0.15 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 39.71 2qa4 n ASP 52 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2qa4 s LEU 53 N 10.77 4.00 -0.14 0.64 0.05 -1.26 -4.55 118.68 128.19 2qa4 s LEU 53 Ca 1.04 1.49 -0.14 0.00 0.05 0.00 0.00 54.13 56.57 2qa4 s LEU 53 Cb -0.40 -4.32 -0.06 0.00 -2.05 0.00 0.00 46.19 39.36 2qa4 s LEU 53 CO 0.33 -0.29 0.48 1.41 -0.55 0.00 0.00 176.35 177.73 2qa4 n HIS 54 N -0.51 0.52 -1.46 3.48 8.25 -1.26 -1.77 115.22 122.46 2qa4 n HIS 54 Ca 0.05 0.35 -0.01 0.00 -0.26 0.00 0.00 57.72 57.86 2qa4 n HIS 54 Cb 0.54 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 2qa4 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qa4 n GLY 55 N 1.19 0.06 0.00 -1.41 0.00 -1.26 -4.79 105.19 98.97 2qa4 n GLY 55 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2qa4 n GLY 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qa4 n THR 56 N 0.00 0.00 -3.64 2.61 -1.04 -0.73 -4.92 114.28 106.56 2qa4 n THR 56 Ca -0.04 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 2qa4 n THR 56 Cb 0.26 0.65 -0.07 0.00 -1.82 0.00 0.00 70.33 69.35 2qa4 n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qa4 s ALA 57 N -0.86 -2.25 -0.02 2.41 0.00 -1.23 -4.79 121.76 115.02 2qa4 s ALA 57 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2qa4 s ALA 57 Cb 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.45 2qa4 s ALA 57 CO 0.00 -0.30 0.01 -2.00 0.00 0.00 0.00 175.76 173.47 2qa4 s GLU 58 N 0.99 0.08 -0.15 0.00 2.12 -1.21 -4.67 118.70 115.86 2qa4 s GLU 58 Ca -0.05 0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 2qa4 s GLU 58 Cb -0.04 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2qa4 s GLU 58 CO -0.13 -0.10 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.29 2qa4 s LEU 59 N 0.72 3.31 -0.19 2.70 2.96 -1.26 -2.34 118.68 124.57 2qa4 s LEU 59 Ca -0.06 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2qa4 s LEU 59 Cb -0.09 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.82 2qa4 s LEU 59 CO -0.02 0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 175.04 2qa4 s ARG 60 N 0.22 3.05 0.06 1.98 1.70 -0.15 -5.00 118.95 120.80 2qa4 s ARG 60 Ca -0.02 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 54.52 2qa4 s ARG 60 Cb -0.14 -2.67 -0.03 0.00 -0.57 0.00 0.00 34.95 31.54 2qa4 s ARG 60 CO 0.03 -0.22 -0.19 0.08 -1.08 0.00 0.00 175.30 173.92 2qa4 s VAL 61 N 1.32 2.72 0.00 4.99 1.01 -1.26 -1.30 120.40 127.89 2qa4 s VAL 61 Ca 0.05 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 2qa4 s VAL 61 Cb -0.13 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.15 2qa4 s VAL 61 CO -0.11 0.28 0.91 -1.54 0.00 0.00 0.00 175.10 174.65 2qa4 n SER 62 N 1.40 -0.93 -4.68 3.32 3.41 -1.26 -5.06 113.62 109.82 2qa4 n SER 62 Ca -0.16 -1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 2qa4 n SER 62 Cb 0.52 1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 65.90 2qa4 n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qa4 s ARG 63 N -2.01 4.18 0.00 4.33 0.52 -1.26 -4.81 118.95 119.90 2qa4 s ARG 63 Ca 0.21 2.34 0.04 0.00 -0.52 0.00 0.00 55.73 57.80 2qa4 s ARG 63 Cb -0.01 -3.76 0.21 0.00 0.52 0.00 0.00 34.95 31.92 2qa4 s ARG 63 CO 0.00 -0.79 0.57 0.27 0.02 0.00 0.00 175.30 175.37 2qa4 n ASN 64 N 6.19 0.00 0.08 0.23 0.23 -1.26 -0.34 115.26 120.39 2qa4 n ASN 64 Ca 0.17 -0.23 -0.18 0.00 -0.53 0.00 0.00 54.58 53.80 2qa4 n ASN 64 Cb 0.41 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.97 2qa4 n ASN 64 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2qa4 h THR 65 N 0.00 1.19 0.02 5.53 2.02 -2.00 -2.83 112.91 116.84 2qa4 h THR 65 Ca 0.00 -2.79 -0.23 0.00 0.77 0.00 0.00 66.41 64.16 2qa4 h THR 65 Cb 0.00 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2qa4 h THR 65 CO 0.00 0.83 -0.98 -0.07 0.37 0.00 0.00 175.52 175.68 2qa4 h LEU 66 N 0.08 0.48 -0.46 2.58 3.38 -1.06 -2.90 115.31 117.41 2qa4 h LEU 66 Ca -0.24 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 2qa4 h LEU 66 Cb 2.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2qa4 h LEU 66 CO 0.18 1.21 0.16 -0.07 0.09 0.00 0.00 178.44 180.02 2qa4 h LEU 67 N 0.19 0.66 0.29 1.67 3.38 -1.55 -1.19 115.31 118.76 2qa4 h LEU 67 Ca -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2qa4 h LEU 67 Cb 1.62 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2qa4 h LEU 67 CO 0.16 0.67 -0.31 -0.08 0.09 0.00 0.00 178.44 178.98 2qa4 h GLU 68 N 0.61 -0.58 -0.52 1.13 4.81 -1.49 -2.08 114.58 116.46 2qa4 h GLU 68 Ca 0.15 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 2qa4 h GLU 68 Cb 0.24 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2qa4 h GLU 68 CO -0.01 -0.38 0.36 0.00 -0.73 0.00 0.00 179.01 178.25 2qa4 h ARG 69 N -0.60 0.14 -0.74 1.92 3.08 -1.51 0.43 114.38 117.09 2qa4 h ARG 69 Ca -0.04 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qa4 h ARG 69 Cb 0.52 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2qa4 h ARG 69 CO -0.05 0.09 0.49 0.00 -1.07 0.00 0.00 179.97 179.43 2qa4 h ALA 70 N 1.74 1.50 0.12 0.04 0.00 -0.67 -0.50 119.26 121.49 2qa4 h ALA 70 Ca 0.25 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 2qa4 h ALA 70 Cb 0.78 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2qa4 h ALA 70 CO -0.03 0.44 -1.21 -0.07 0.00 0.00 0.00 179.25 178.38 2qa4 h LEU 71 N 0.97 0.52 -2.22 0.00 3.38 0.38 -3.17 115.31 115.17 2qa4 h LEU 71 Ca 0.28 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2qa4 h LEU 71 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2qa4 h LEU 71 CO -0.07 1.38 0.09 0.44 0.09 0.00 0.00 178.44 180.38 2qa4 h ASP 72 N 0.12 0.00 1.71 -0.43 3.32 0.36 -0.30 116.42 121.21 2qa4 h ASP 72 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2qa4 h ASP 72 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 2qa4 h ASP 72 CO 0.21 0.00 -0.27 0.44 -1.72 0.00 0.00 179.24 177.90 2qa4 h ASP 73 N 0.00 0.00 -3.59 6.45 3.32 -1.11 -3.42 116.42 118.07 2qa4 h ASP 73 Ca 0.05 -0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.39 2qa4 h ASP 73 Cb 0.23 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.55 2qa4 h ASP 73 CO -0.00 0.00 -0.51 -0.69 -1.72 0.00 0.00 179.24 176.32 2qa4 s VAL 74 N -3.25 4.67 0.14 -1.35 1.01 -0.12 -5.00 120.40 116.51 2qa4 s VAL 74 Ca 0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2qa4 s VAL 74 Cb 0.07 -3.58 0.23 0.00 0.00 0.00 0.00 36.38 33.09 2qa4 s VAL 74 CO 0.70 -0.20 0.79 0.47 0.00 0.00 0.00 175.10 176.85 2qa4 n ASP 75 N 5.02 -0.15 -4.63 3.32 8.00 -1.26 -4.39 116.55 122.46 2qa4 n ASP 75 Ca -0.12 0.86 -0.34 0.00 0.71 0.00 0.00 54.79 55.90 2qa4 n ASP 75 Cb 0.47 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 2qa4 n ASP 75 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2qa4 s ASP 76 N -5.10 5.57 0.00 -2.24 1.01 -1.26 -4.30 116.67 110.36 2qa4 s ASP 76 Ca -0.07 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.26 2qa4 s ASP 76 Cb 0.14 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2qa4 s ASP 76 CO 0.39 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.56 2qa4 n GLY 77 N 3.51 1.58 0.07 0.21 0.00 -1.26 -5.01 105.19 104.29 2qa4 n GLY 77 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2qa4 n GLY 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qa4 h LEU 78 N 0.00 0.00 -1.76 0.99 6.46 -1.78 -3.28 115.31 115.94 2qa4 h LEU 78 Ca 0.00 -0.55 0.07 0.00 -0.12 0.00 0.00 57.88 57.28 2qa4 h LEU 78 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2qa4 h LEU 78 CO 0.00 0.89 0.50 -0.33 -0.62 0.00 0.00 178.44 178.88 2qa4 h GLU 79 N -1.00 0.00 -0.58 1.25 5.08 -1.95 0.95 114.58 118.33 2qa4 h GLU 79 Ca -0.05 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2qa4 h GLU 79 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2qa4 h GLU 79 CO -0.03 0.00 0.39 0.22 -1.00 0.00 0.00 179.01 178.60 2qa4 h ASP 80 N 0.00 0.33 0.39 1.42 3.58 -1.97 -3.22 116.42 116.94 2qa4 h ASP 80 Ca 0.12 0.01 -0.32 0.00 0.42 0.00 0.00 57.03 57.26 2qa4 h ASP 80 Cb 1.12 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2qa4 h ASP 80 CO -0.00 0.20 -1.64 0.17 -2.88 0.00 0.00 179.24 175.08 2qa4 h LEU 81 N 0.36 0.36 -0.34 2.28 8.10 -0.98 -3.20 115.31 121.89 2qa4 h LEU 81 Ca 0.27 -0.56 0.07 0.00 0.11 0.00 0.00 57.88 57.77 2qa4 h LEU 81 Cb 0.58 -0.12 -0.08 0.00 -0.44 0.00 0.00 40.66 40.61 2qa4 h LEU 81 CO -0.07 1.48 -0.16 0.78 -4.11 0.00 0.00 178.44 176.36 2qa4 h ASN 82 N 0.06 -0.56 0.00 0.17 2.35 -1.70 -3.29 115.58 112.61 2qa4 h ASN 82 Ca -0.28 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2qa4 h ASN 82 Cb 2.02 0.31 0.00 0.00 0.05 0.00 0.00 38.32 40.70 2qa4 h ASN 82 CO 0.14 -0.20 -1.87 0.61 -1.65 0.00 0.00 177.43 174.46 2qa4 n GLY 83 N -1.34 -0.90 0.09 2.83 0.00 -1.26 -4.92 105.19 99.68 2qa4 n GLY 83 Ca 0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2qa4 n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qa4 n TYR 84 N -2.16 0.34 -2.20 1.61 4.01 -1.21 -4.86 117.16 112.70 2qa4 n TYR 84 Ca -0.03 0.15 -0.37 0.00 -0.16 0.00 0.00 57.90 57.48 2qa4 n TYR 84 Cb 0.51 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 2qa4 n TYR 84 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2qa4 s ILE 85 N -2.62 3.49 -0.12 -0.72 2.07 -1.24 -4.99 121.20 117.08 2qa4 s ILE 85 Ca -0.27 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.06 2qa4 s ILE 85 Cb 0.05 -4.25 0.04 0.00 0.13 0.00 0.00 42.46 38.43 2qa4 s ILE 85 CO 0.39 -1.21 0.02 -0.89 -1.91 0.00 0.00 174.94 171.34 2qa4 s THR 86 N 8.17 0.40 0.39 4.00 2.01 -1.26 -4.84 115.64 124.51 2qa4 s THR 86 Ca 0.59 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2qa4 s THR 86 Cb -0.10 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2qa4 s THR 86 CO 0.14 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2qa4 n GLY 87 N 5.12 -4.75 3.32 4.40 0.00 -1.26 -4.84 105.19 107.19 2qa4 n GLY 87 Ca -0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2qa4 n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qa4 n GLN 88 N 0.43 -1.62 -4.48 1.61 -0.06 -1.26 -4.95 117.38 107.04 2qa4 n GLN 88 Ca 0.00 1.01 -0.26 0.00 -2.00 0.00 0.00 57.00 55.74 2qa4 n GLN 88 Cb 0.00 -5.13 -0.10 0.00 -4.06 0.00 0.00 30.24 20.95 2qa4 n GLN 88 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2qa4 s VAL 89 N -3.22 2.23 -0.31 1.69 0.11 -1.26 -3.24 120.40 116.40 2qa4 s VAL 89 Ca 0.25 -2.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.20 2qa4 s VAL 89 Cb -0.06 -2.87 0.19 0.00 -1.53 0.00 0.00 36.38 32.12 2qa4 s VAL 89 CO 0.78 -0.09 1.01 -0.83 -3.33 0.00 0.00 175.10 172.64 2qa4 s GLY 90 N -3.71 -1.09 0.95 6.54 0.00 -1.14 -4.62 107.32 104.26 2qa4 s GLY 90 Ca 0.35 1.82 -0.11 0.00 0.00 0.00 0.00 44.72 46.78 2qa4 s GLY 90 CO 0.18 4.11 1.09 1.08 0.00 0.00 0.00 173.10 179.57 2qa4 s LEU 91 N 2.71 2.14 0.00 0.66 1.43 -0.42 -2.01 118.68 123.19 2qa4 s LEU 91 Ca 0.24 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2qa4 s LEU 91 Cb -0.01 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2qa4 s LEU 91 CO -0.21 -3.07 0.00 2.30 0.23 0.00 0.00 176.35 175.60 2qa4 n ILE 92 N -4.18 0.00 0.00 -0.59 -5.35 -1.18 -0.98 119.36 107.08 2qa4 n ILE 92 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 2qa4 n ILE 92 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 2qa4 n ILE 92 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qa4 n GLY 93 N 3.74 1.20 3.09 3.28 0.00 -0.99 -3.68 105.19 111.83 2qa4 n GLY 93 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 2qa4 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qa4 s THR 94 N 0.00 0.03 -2.00 2.61 -4.23 -1.26 -3.36 115.64 107.43 2qa4 s THR 94 Ca 0.00 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2qa4 s THR 94 Cb 0.00 -0.33 0.09 0.00 1.34 0.00 0.00 72.50 73.60 2qa4 s THR 94 CO 0.00 -0.12 0.93 -0.90 -0.54 0.00 0.00 174.62 173.98 2qa4 n ASP 95 N 2.45 0.00 -3.66 3.99 5.68 -1.26 -3.79 116.55 119.96 2qa4 n ASP 95 Ca -0.16 -1.48 -0.29 0.00 -0.50 0.00 0.00 54.79 52.37 2qa4 n ASP 95 Cb 0.58 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.78 2qa4 n ASP 95 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2qa4 n ASP 96 N -0.56 -1.07 -4.73 -1.12 9.92 -1.26 -4.73 116.55 112.99 2qa4 n ASP 96 Ca 0.02 -1.29 -0.41 0.00 -0.53 0.00 0.00 54.79 52.58 2qa4 n ASP 96 Cb 0.01 -0.97 -0.04 0.00 -0.64 0.00 0.00 41.12 39.48 2qa4 n ASP 96 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2qa4 s ASN 97 N -4.96 7.29 0.00 -2.24 2.47 -1.26 -4.91 114.94 111.33 2qa4 s ASN 97 Ca 0.70 2.00 0.00 0.00 0.42 0.00 0.00 52.86 55.98 2qa4 s ASN 97 Cb -0.04 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2qa4 s ASN 97 CO 0.52 -0.22 0.00 -2.65 -3.72 0.00 0.00 177.10 171.03 2qa4 n PRO 98 N 2.74 0.00 0.00 0.43 -0.02 -1.26 -2.14 135.00 134.76 2qa4 n PRO 98 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2qa4 n PRO 98 Cb 0.47 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 2qa4 n PRO 98 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qa4 n PHE 99 N -0.36 0.00 0.00 6.00 3.01 -1.26 -4.76 117.46 120.09 2qa4 n PHE 99 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qa4 n PHE 99 Cb 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 2qa4 n PHE 99 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2qa4 n SER 100 N -2.78 0.00 -0.07 4.37 3.41 -0.91 -1.72 113.62 115.92 2qa4 n SER 100 Ca 0.00 0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 2qa4 n SER 100 Cb 0.36 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2qa4 n SER 100 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qa4 h LEU 101 N 0.00 0.00 -1.26 1.04 3.38 -1.86 -3.31 115.31 113.30 2qa4 h LEU 101 Ca 0.00 -0.03 0.45 0.00 0.09 0.00 0.00 57.88 58.39 2qa4 h LEU 101 Cb 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.62 2qa4 h LEU 101 CO 0.00 0.76 0.79 2.22 0.09 0.00 0.00 178.44 182.30 2qa4 n PHE 102 N -4.63 0.73 0.05 1.13 1.16 -0.70 -0.70 117.46 114.50 2qa4 n PHE 102 Ca -0.07 0.73 -0.02 0.00 -1.87 0.00 0.00 57.45 56.22 2qa4 n PHE 102 Cb 0.25 -1.16 -0.01 0.00 -1.61 0.00 0.00 39.48 36.95 2qa4 n PHE 102 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 2qa4 h GLN 103 N 0.00 -0.14 -0.70 3.97 4.20 -1.75 -3.15 115.11 117.53 2qa4 h GLN 103 Ca 0.83 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.64 2qa4 h GLN 103 Cb 2.61 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 30.31 2qa4 h GLN 103 CO -0.48 -0.09 -0.47 1.49 -0.67 0.00 0.00 178.83 178.61 2qa4 h GLU 104 N -0.34 -0.16 -0.87 1.46 4.81 -1.19 0.27 114.58 118.55 2qa4 h GLU 104 Ca -0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2qa4 h GLU 104 Cb 0.11 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2qa4 h GLU 104 CO 0.02 -0.11 0.44 -0.07 -0.73 0.00 0.00 179.01 178.56 2qa4 h LEU 105 N -0.17 1.13 0.02 1.64 3.38 -1.04 -0.46 115.31 119.80 2qa4 h LEU 105 Ca 0.19 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 2qa4 h LEU 105 Cb 0.54 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2qa4 h LEU 105 CO -0.77 0.93 -1.62 -0.33 0.09 0.00 0.00 178.44 176.75 2qa4 h GLU 106 N 1.24 0.04 -1.03 1.13 4.39 -1.46 -2.48 114.58 116.41 2qa4 h GLU 106 Ca 0.30 -0.06 0.32 0.00 0.34 0.00 0.00 59.36 60.26 2qa4 h GLU 106 Cb 0.09 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.62 2qa4 h GLU 106 CO -0.04 0.66 0.60 0.00 -1.16 0.00 0.00 179.01 179.07 2qa4 h ALA 107 N 0.90 2.02 -0.06 3.43 0.00 -0.65 -3.33 119.26 121.57 2qa4 h ALA 107 Ca -0.25 0.17 -0.68 0.00 0.00 0.00 0.00 54.91 54.15 2qa4 h ALA 107 Cb 1.98 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.92 2qa4 h ALA 107 CO 0.09 -0.61 3.71 0.45 0.00 0.00 0.00 179.25 182.90 2qa4 n SER 108 N -4.98 8.51 -4.14 0.00 2.88 -0.21 -4.88 113.62 110.80 2qa4 n SER 108 Ca 0.31 -2.63 -0.15 0.00 -1.33 0.00 0.00 58.87 55.07 2qa4 n SER 108 Cb 0.99 -1.55 -0.11 0.00 -0.75 0.00 0.00 64.21 62.79 2qa4 n SER 108 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2qa4 s LYS 109 N 1.93 0.75 -0.50 -1.46 3.01 -1.25 -4.86 119.74 117.36 2qa4 s LYS 109 Ca 0.68 -0.98 -0.45 0.00 -1.01 0.00 0.00 55.97 54.20 2qa4 s LYS 109 Cb 0.18 -0.56 -0.19 0.00 -1.01 0.00 0.00 37.83 36.24 2qa4 s LYS 109 CO -0.06 0.11 1.93 0.25 0.51 0.00 0.00 175.35 178.08 2qa4 n THR 110 N 1.05 0.00 0.00 2.17 -2.24 -1.26 -5.06 114.28 108.94 2qa4 n THR 110 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qa4 n THR 110 Cb 0.56 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2qa4 n THR 110 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2qa4 n PRO 111 N 6.14 0.00 -0.08 -0.78 -0.04 -1.26 -3.85 135.00 135.14 2qa4 n PRO 111 Ca 0.46 0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 64.59 2qa4 n PRO 111 Cb -0.05 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 2qa4 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qa4 h ALA 112 N -0.81 0.08 -2.41 0.55 0.00 -2.10 -3.46 119.26 111.11 2qa4 h ALA 112 Ca 0.00 -0.70 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 2qa4 h ALA 112 Cb 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.23 2qa4 h ALA 112 CO 0.00 0.56 0.10 -2.14 0.00 0.00 0.00 179.25 177.77 2qa4 s PRO 113 N -2.26 3.82 -0.07 0.00 0.02 -1.26 -5.05 135.00 130.20 2qa4 s PRO 113 Ca -0.19 0.17 -0.02 0.00 0.02 0.00 0.00 61.00 60.99 2qa4 s PRO 113 Cb 0.03 -3.75 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 2qa4 s PRO 113 CO 0.32 -0.60 0.01 0.42 -0.33 0.00 0.00 177.00 176.82 2qa4 s ILE 114 N 2.57 4.37 0.00 2.83 1.01 -1.25 -4.72 121.20 126.02 2qa4 s ILE 114 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2qa4 s ILE 114 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2qa4 s ILE 114 CO 0.13 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.23 2qa4 n GLY 115 N 1.97 -0.45 2.58 6.18 0.00 -1.26 -5.10 105.19 109.10 2qa4 n GLY 115 Ca -0.18 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2qa4 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 n ALA 116 N 0.00 3.82 -1.93 4.61 0.00 -1.26 -5.04 120.51 120.71 2qa4 n ALA 116 Ca 0.00 -4.66 -0.24 0.00 0.00 0.00 0.00 53.44 48.54 2qa4 n ALA 116 Cb 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2qa4 n ALA 116 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qa4 s GLY 117 N -2.10 -0.20 -0.43 0.00 0.00 -1.26 -4.93 107.32 98.40 2qa4 s GLY 117 Ca 0.35 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 43.08 2qa4 s GLY 117 CO -0.07 3.76 0.61 -0.54 0.00 0.00 0.00 173.10 176.86 2qa4 s GLU 118 N 7.19 3.29 -0.15 2.90 2.02 -1.26 -4.62 118.70 128.07 2qa4 s GLU 118 Ca 0.73 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 55.21 2qa4 s GLU 118 Cb -0.04 -3.94 0.04 0.00 0.10 0.00 0.00 34.13 30.30 2qa4 s GLU 118 CO 0.11 -0.96 0.40 0.14 0.02 0.00 0.00 175.26 174.97 2qa4 s VAL 119 N 2.71 -0.01 -0.12 2.63 -7.23 -1.25 -4.93 120.40 112.19 2qa4 s VAL 119 Ca 0.21 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 2qa4 s VAL 119 Cb -0.15 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.23 2qa4 s VAL 119 CO 0.18 0.01 -0.20 -2.16 -0.31 0.00 0.00 175.10 172.62 2qa4 s PRO 121 N 0.57 2.77 0.00 4.82 0.04 -1.26 -4.23 135.00 137.71 2qa4 s PRO 121 Ca -0.03 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.25 2qa4 s PRO 121 Cb -0.05 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2qa4 s PRO 121 CO -0.03 0.01 0.00 0.09 0.04 0.00 0.00 177.00 177.10 2qa4 n ASN 122 N 4.01 -1.03 -0.02 6.66 3.02 -1.17 -3.80 115.26 122.93 2qa4 n ASN 122 Ca -0.20 -0.26 -0.06 0.00 -0.03 0.00 0.00 54.58 54.03 2qa4 n ASN 122 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 2qa4 n ASN 122 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qa4 n ASP 123 N -2.34 0.90 -4.68 6.41 8.00 -1.26 -4.14 116.55 119.44 2qa4 n ASP 123 Ca 0.00 0.14 -0.50 0.00 0.71 0.00 0.00 54.79 55.14 2qa4 n ASP 123 Cb 0.00 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 2qa4 n ASP 123 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qa4 n ILE 124 N -3.54 0.42 0.00 0.53 5.41 -1.16 -4.63 119.36 116.39 2qa4 n ILE 124 Ca -0.11 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2qa4 n ILE 124 Cb 0.43 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2qa4 n ILE 124 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qa4 n VAL 125 N 4.67 0.00 -2.03 1.39 0.31 -1.26 -4.38 118.33 117.04 2qa4 n VAL 125 Ca 0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.24 2qa4 n VAL 125 Cb 0.26 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.15 2qa4 n VAL 125 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qa4 s ILE 126 N 0.00 3.39 0.00 2.52 1.01 -1.26 -4.84 121.20 122.02 2qa4 s ILE 126 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2qa4 s ILE 126 Cb 0.00 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2qa4 s ILE 126 CO 0.00 -0.90 0.00 -0.81 0.00 0.00 0.00 174.94 173.23 2qa4 n PRO 127 N 9.00 3.95 0.00 2.79 -0.04 -1.26 -3.03 135.00 146.42 2qa4 n PRO 127 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2qa4 n PRO 127 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2qa4 n PRO 127 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2qa4 n GLU 128 N 0.00 0.02 -0.68 0.54 2.13 -1.26 -4.81 120.64 116.57 2qa4 n GLU 128 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 2qa4 n GLU 128 Cb 0.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2qa4 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qa4 n GLY 129 N -0.43 0.00 0.31 8.31 0.00 -1.26 -4.83 105.19 107.28 2qa4 n GLY 129 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2qa4 n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qa4 n ASP 130 N 1.32 -0.57 0.00 1.61 5.75 -1.26 -4.89 116.55 118.51 2qa4 n ASP 130 Ca -0.00 1.39 0.00 0.00 -0.01 0.00 0.00 54.79 56.17 2qa4 n ASP 130 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2qa4 n ASP 130 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qa4 n THR 131 N -5.14 0.00 -0.85 2.12 -1.04 -1.26 -5.17 114.28 102.93 2qa4 n THR 131 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2qa4 n THR 131 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2qa4 n THR 131 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04