#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s GLU 6 N 0.00 3.45 0.24 0.38 1.03 -1.26 -1.73 118.70 120.81 2qa4 s GLU 6 Ca 0.00 -0.62 -0.12 0.00 0.03 0.00 0.00 54.97 54.25 2qa4 s GLU 6 Cb 0.00 -2.83 -0.00 0.00 -0.80 0.00 0.00 34.13 30.50 2qa4 s GLU 6 CO 0.00 0.08 0.46 0.08 -1.33 0.00 0.00 175.26 174.55 2qa4 s VAL 7 N 0.73 0.00 -0.08 1.83 1.01 -1.24 -5.00 120.40 117.66 2qa4 s VAL 7 Ca -0.04 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.58 2qa4 s VAL 7 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2qa4 s VAL 7 CO 0.02 -0.02 -0.21 -1.48 0.00 0.00 0.00 175.10 173.41 2qa4 s LEU 8 N -3.02 2.27 -0.08 3.92 0.05 -1.26 -3.08 118.68 117.49 2qa4 s LEU 8 Ca 0.22 -0.45 0.01 0.00 0.05 0.00 0.00 54.13 53.96 2qa4 s LEU 8 Cb -0.00 -1.45 0.02 0.00 -2.05 0.00 0.00 46.19 42.71 2qa4 s LEU 8 CO 0.08 0.23 -0.09 0.54 -0.55 0.00 0.00 176.35 176.56 2qa4 s VAL 9 N -0.04 0.95 0.73 1.48 0.11 -1.26 -4.65 120.40 117.73 2qa4 s VAL 9 Ca -0.06 -0.32 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 2qa4 s VAL 9 Cb -0.15 -0.93 -0.10 0.00 -1.53 0.00 0.00 36.38 33.67 2qa4 s VAL 9 CO 0.05 0.33 -0.07 -2.65 -3.33 0.00 0.00 175.10 169.43 2qa4 n PRO 10 N 4.31 0.09 0.00 1.54 -0.02 -1.26 -3.96 135.00 135.70 2qa4 n PRO 10 Ca -0.19 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2qa4 n PRO 10 Cb 0.51 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2qa4 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa4 n GLY 11 N 2.45 0.00 3.57 -1.23 0.00 -1.26 -4.10 105.19 104.61 2qa4 n GLY 11 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2qa4 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qa4 s GLY 12 N 0.00 0.29 0.21 -0.02 0.00 -1.23 -4.72 107.32 101.85 2qa4 s GLY 12 Ca 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 42.89 2qa4 s GLY 12 CO 0.00 3.43 0.39 -1.84 0.00 0.00 0.00 173.10 175.08 2qa4 n GLU 13 N 8.71 0.57 0.00 2.90 -0.00 -1.26 -5.01 120.64 126.55 2qa4 n GLU 13 Ca 0.41 -1.24 0.00 0.00 -0.00 0.00 0.00 57.16 56.33 2qa4 n GLU 13 Cb 0.47 1.47 0.00 0.00 -0.00 0.00 0.00 31.44 33.39 2qa4 n GLU 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qa4 n ALA 14 N -1.71 0.00 -3.15 -1.84 0.00 -1.26 -3.69 120.51 108.86 2qa4 n ALA 14 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 2qa4 n ALA 14 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.77 2qa4 n ALA 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qa4 n ASN 15 N 0.00 -3.17 -4.78 0.00 2.04 -1.26 -5.05 115.26 103.04 2qa4 n ASN 15 Ca 0.00 -0.50 -0.26 0.00 -0.44 0.00 0.00 54.58 53.39 2qa4 n ASN 15 Cb 0.00 -1.02 -0.06 0.00 -2.53 0.00 0.00 39.78 36.18 2qa4 n ASN 15 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 2qa4 s PRO 16 N -3.30 2.82 0.29 -0.53 0.02 -1.26 -5.04 135.00 127.99 2qa4 s PRO 16 Ca 0.07 -0.94 -0.01 0.00 0.02 0.00 0.00 61.00 60.13 2qa4 s PRO 16 Cb -0.01 -2.58 0.42 0.00 0.02 0.00 0.00 34.50 32.35 2qa4 s PRO 16 CO 0.57 0.47 1.86 0.78 -0.33 0.00 0.00 177.00 180.35 2qa4 h GLY 17 N 2.31 0.94 0.94 0.52 0.00 -1.98 -3.18 103.07 102.62 2qa4 h GLY 17 Ca -0.48 -0.49 -0.28 0.00 0.00 0.00 0.00 47.33 46.08 2qa4 h GLY 17 CO 0.62 0.47 -1.29 -2.55 0.00 0.00 0.00 176.54 173.79 2qa4 h PRO 18 N 0.85 0.41 0.00 4.80 0.11 -1.99 -3.35 132.00 132.83 2qa4 h PRO 18 Ca 0.20 -0.70 -0.27 0.00 0.11 0.00 0.00 66.00 65.34 2qa4 h PRO 18 Cb 0.20 0.26 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 2qa4 h PRO 18 CO -0.01 1.33 -1.78 -0.35 -0.21 0.00 0.00 178.00 176.98 2qa4 n PRO 19 N -3.87 0.64 -0.01 1.05 -0.05 -1.26 -4.48 135.00 127.03 2qa4 n PRO 19 Ca -0.18 0.20 0.05 0.00 -0.05 0.00 0.00 63.50 63.52 2qa4 n PRO 19 Cb 0.98 -1.73 -0.09 0.00 -0.05 0.00 0.00 33.50 32.61 2qa4 n PRO 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2qa4 n LEU 20 N -2.92 0.00 0.00 1.53 4.32 -1.20 -4.16 117.00 114.57 2qa4 n LEU 20 Ca -0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.70 2qa4 n LEU 20 Cb 1.01 0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.74 2qa4 n LEU 20 CO 0.44 0.02 0.40 1.23 -1.22 0.00 0.00 177.39 178.26 2qa4 h GLY 21 N 2.14 -0.11 1.34 -0.72 0.00 -1.68 -3.34 103.07 100.70 2qa4 h GLY 21 Ca -0.02 0.04 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 2qa4 h GLY 21 CO 0.00 -0.04 -1.45 -2.55 0.00 0.00 0.00 176.54 172.50 2qa4 h PRO 22 N -0.85 0.37 0.21 4.80 0.11 -1.79 -3.42 132.00 131.44 2qa4 h PRO 22 Ca -0.01 -0.63 -0.01 0.00 0.11 0.00 0.00 66.00 65.46 2qa4 h PRO 22 Cb 0.60 0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qa4 h PRO 22 CO 0.02 1.28 -0.10 0.93 -0.21 0.00 0.00 178.00 179.92 2qa4 h GLU 23 N 0.10 -0.27 0.00 1.05 5.08 -1.76 -3.52 114.58 115.25 2qa4 h GLU 23 Ca -0.22 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2qa4 h GLU 23 Cb 2.06 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.38 2qa4 h GLU 23 CO 0.22 -0.18 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 2qa4 n LEU 24 N -3.58 0.00 -3.06 1.33 7.99 -1.25 -5.00 117.00 113.43 2qa4 n LEU 24 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2qa4 n LEU 24 Cb 0.11 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2qa4 n LEU 24 CO 0.08 0.00 -0.34 -2.65 -1.51 0.00 0.00 177.39 172.98 2qa4 n PRO 28 N -1.73 -1.25 -3.68 3.23 -0.02 -1.26 -4.90 135.00 125.39 2qa4 n PRO 28 Ca 0.00 1.32 -0.39 0.00 -2.02 0.00 0.00 63.50 62.42 2qa4 n PRO 28 Cb 0.00 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.71 2qa4 n PRO 28 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qa4 s VAL 29 N -0.69 4.35 0.05 -1.45 -7.23 -1.26 -4.83 120.40 109.34 2qa4 s VAL 29 Ca -0.02 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2qa4 s VAL 29 Cb 0.00 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2qa4 s VAL 29 CO 0.13 -0.01 0.00 -0.90 -0.31 0.00 0.00 175.10 174.01 2qa4 n ASP 30 N 4.94 -5.23 -4.29 4.85 5.75 -1.26 -4.79 116.55 116.52 2qa4 n ASP 30 Ca -0.13 0.71 -0.23 0.00 -0.01 0.00 0.00 54.79 55.13 2qa4 n ASP 30 Cb 0.48 -2.84 -0.12 0.00 -1.03 0.00 0.00 41.12 37.60 2qa4 n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qa4 s VAL 31 N -0.25 1.69 -0.62 2.12 1.01 -1.26 -4.37 120.40 118.73 2qa4 s VAL 31 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.32 2qa4 s VAL 31 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2qa4 s VAL 31 CO 0.00 -0.15 0.27 0.00 0.00 0.00 0.00 175.10 175.22 2qa4 n GLN 32 N 0.85 -2.11 0.00 2.72 6.02 -1.26 -4.80 117.38 118.81 2qa4 n GLN 32 Ca -0.18 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2qa4 n GLN 32 Cb 0.55 -4.08 0.00 0.00 1.02 0.00 0.00 30.24 27.72 2qa4 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qa4 n ALA 33 N -2.60 0.54 -0.21 -1.58 0.00 -1.26 -4.92 120.51 110.48 2qa4 n ALA 33 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 2qa4 n ALA 33 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 2qa4 n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qa4 h VAL 34 N 0.00 1.24 -0.65 0.00 2.07 -1.87 -2.97 116.25 114.07 2qa4 h VAL 34 Ca 0.00 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2qa4 h VAL 34 Cb 0.00 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2qa4 h VAL 34 CO 0.00 0.32 0.42 0.58 0.02 0.00 0.00 177.57 178.91 2qa4 h VAL 35 N 0.84 1.14 -0.06 2.57 2.07 -1.91 -1.55 116.25 119.34 2qa4 h VAL 35 Ca 0.19 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2qa4 h VAL 35 Cb 0.31 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2qa4 h VAL 35 CO -0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 2qa4 n GLN 36 N -4.66 1.41 0.00 1.57 6.02 -1.13 -3.27 117.38 117.33 2qa4 n GLN 36 Ca 0.06 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 2qa4 n GLN 36 Cb 0.04 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.73 2qa4 n GLN 36 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qa4 n GLU 37 N 0.07 0.56 -0.04 -1.09 0.00 -0.98 -4.63 120.64 114.53 2qa4 n GLU 37 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.04 2qa4 n GLU 37 Cb 0.36 -0.67 -0.08 0.00 0.00 0.00 0.00 31.44 31.06 2qa4 n GLU 37 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 2qa4 h ILE 38 N 0.00 1.36 -0.03 6.31 6.09 -1.35 -3.21 117.51 126.69 2qa4 h ILE 38 Ca 0.00 -1.70 -0.12 0.00 -1.37 0.00 0.00 64.86 61.67 2qa4 h ILE 38 Cb 0.33 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 2qa4 h ILE 38 CO 0.00 0.51 -0.53 -0.55 -3.07 0.00 0.00 178.15 174.51 2qa4 h ASN 39 N 0.11 0.09 -0.30 2.19 -1.07 -1.63 -3.14 115.58 111.83 2qa4 h ASN 39 Ca -0.01 -0.05 0.04 0.00 0.07 0.00 0.00 56.30 56.35 2qa4 h ASN 39 Cb 1.02 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 37.21 2qa4 h ASN 39 CO 0.09 0.60 0.06 0.44 0.07 0.00 0.00 177.43 178.69 2qa4 h ASP 40 N 0.06 0.01 1.13 6.14 5.19 -1.81 -3.28 116.42 123.87 2qa4 h ASP 40 Ca -0.00 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.40 2qa4 h ASP 40 Cb 0.96 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 2qa4 h ASP 40 CO 0.07 0.04 -0.90 0.06 -3.12 0.00 0.00 179.24 175.39 2qa4 h GLN 41 N 0.17 0.00 -0.69 3.56 3.07 -1.58 -3.37 115.11 116.27 2qa4 h GLN 41 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 2qa4 h GLN 41 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2qa4 h GLN 41 CO -0.19 0.15 0.00 -2.37 0.09 0.00 0.00 178.83 176.51 2qa4 n THR 42 N -2.87 1.90 -1.49 1.86 5.66 -1.19 -5.09 114.28 113.06 2qa4 n THR 42 Ca -0.02 -0.99 -0.40 0.00 -3.05 0.00 0.00 64.05 59.60 2qa4 n THR 42 Cb 0.65 -0.29 -0.02 0.00 -1.55 0.00 0.00 70.33 69.12 2qa4 n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qa4 n ALA 43 N 0.50 7.08 -0.01 1.79 0.00 -1.25 -3.52 120.51 125.09 2qa4 n ALA 43 Ca 0.20 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.97 2qa4 n ALA 43 Cb 0.90 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 17.02 2qa4 n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qa4 n GLU 49 N 3.84 0.00 -2.57 0.00 4.71 -1.25 -4.91 120.64 120.46 2qa4 n GLU 49 Ca 0.71 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 57.45 2qa4 n GLU 49 Cb 0.26 -2.34 -0.03 0.00 -1.01 0.00 0.00 31.44 28.33 2qa4 n GLU 49 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qa4 s VAL 50 N -0.58 3.92 0.27 2.62 1.01 -1.26 -4.89 120.40 121.50 2qa4 s VAL 50 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2qa4 s VAL 50 Cb 0.00 -5.05 -0.11 0.00 0.00 0.00 0.00 36.38 31.22 2qa4 s VAL 50 CO 0.00 -1.93 1.53 -2.16 0.00 0.00 0.00 175.10 172.54 2qa4 s PRO 51 N 4.98 4.18 0.00 2.72 0.04 -1.24 -3.99 135.00 141.70 2qa4 s PRO 51 Ca 0.45 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.95 2qa4 s PRO 51 Cb -0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2qa4 s PRO 51 CO -0.09 -0.55 0.00 1.33 0.04 0.00 0.00 177.00 177.73 2qa4 n VAL 52 N 2.36 0.00 -3.91 -0.36 0.24 -1.18 0.40 118.33 115.89 2qa4 n VAL 52 Ca 0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.30 2qa4 n VAL 52 Cb 0.39 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 2qa4 n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qa4 s THR 53 N -2.05 0.00 -0.12 3.34 2.01 -1.26 -3.69 115.64 113.87 2qa4 s THR 53 Ca 0.00 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 2qa4 s THR 53 Cb 0.00 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.48 2qa4 s THR 53 CO 0.00 -0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.27 2qa4 s VAL 54 N -3.96 0.31 -0.69 3.82 1.01 -0.70 -3.38 120.40 116.81 2qa4 s VAL 54 Ca 0.16 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2qa4 s VAL 54 Cb -0.04 -0.66 0.15 0.00 0.00 0.00 0.00 36.38 35.83 2qa4 s VAL 54 CO 0.08 0.02 0.72 -0.75 0.00 0.00 0.00 175.10 175.17 2qa4 s LYS 55 N 1.98 3.26 -0.25 2.72 2.47 -0.89 -2.63 119.74 126.40 2qa4 s LYS 55 Ca 0.03 -1.80 -0.20 0.00 -1.56 0.00 0.00 55.97 52.44 2qa4 s LYS 55 Cb -0.14 -4.40 -0.02 0.00 -1.46 0.00 0.00 37.83 31.81 2qa4 s LYS 55 CO -0.06 -1.45 0.60 1.52 0.16 0.00 0.00 175.35 176.12 2qa4 s TYR 56 N 1.70 3.29 0.00 4.03 -0.00 -1.26 -0.91 117.35 124.20 2qa4 s TYR 56 Ca 0.14 0.79 0.00 0.00 -0.00 0.00 0.00 57.07 58.00 2qa4 s TYR 56 Cb -0.19 -2.80 0.00 0.00 -0.00 0.00 0.00 41.96 38.96 2qa4 s TYR 56 CO -0.01 -0.29 0.00 -0.25 -0.00 0.00 0.00 175.55 175.00 2qa4 n ASP 57 N 5.56 -0.40 0.01 -0.18 8.00 0.29 -4.95 116.55 124.88 2qa4 n ASP 57 Ca -0.02 -0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 2qa4 n ASP 57 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 2qa4 n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qa4 n ASP 58 N -1.15 0.74 -0.15 -2.24 2.03 -1.26 -3.77 116.55 110.74 2qa4 n ASP 58 Ca 0.00 0.33 0.02 0.00 0.52 0.00 0.00 54.79 55.66 2qa4 n ASP 58 Cb 0.00 0.32 0.09 0.00 -0.72 0.00 0.00 41.12 40.81 2qa4 n ASP 58 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2qa4 n ASP 59 N -2.85 0.45 0.00 1.67 5.68 -1.26 -4.88 116.55 115.35 2qa4 n ASP 59 Ca -0.12 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 2qa4 n ASP 59 Cb 0.87 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 2qa4 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qa4 n GLY 60 N 0.66 2.71 3.65 6.12 0.00 -1.25 -4.91 105.19 112.18 2qa4 n GLY 60 Ca 0.04 -0.41 -0.54 0.00 0.00 0.00 0.00 46.02 45.12 2qa4 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qa4 n SER 61 N 0.85 2.20 -4.79 1.61 3.41 -1.26 -4.41 113.62 111.23 2qa4 n SER 61 Ca 0.00 1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 59.38 2qa4 n SER 61 Cb 0.00 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 62.68 2qa4 n SER 61 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qa4 s PHE 62 N 2.05 3.25 -0.20 7.33 -0.12 -1.26 -0.55 117.98 128.49 2qa4 s PHE 62 Ca 0.90 0.13 -0.04 0.00 -0.05 0.00 0.00 56.93 57.87 2qa4 s PHE 62 Cb -0.96 -1.67 0.08 0.00 -0.63 0.00 0.00 43.02 39.84 2qa4 s PHE 62 CO 0.54 0.54 0.18 -1.21 -0.05 0.00 0.00 175.22 175.21 2qa4 s GLU 63 N -2.20 0.15 0.43 1.99 2.02 -0.09 -4.97 118.70 116.04 2qa4 s GLU 63 Ca 0.28 0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.40 2qa4 s GLU 63 Cb -0.12 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.73 2qa4 s GLU 63 CO 0.20 -0.70 0.57 0.96 0.02 0.00 0.00 175.26 176.31 2qa4 s ILE 64 N 2.25 2.89 0.53 -1.63 -0.00 -1.26 -2.10 121.20 121.89 2qa4 s ILE 64 Ca 0.05 -1.04 0.04 0.00 -0.00 0.00 0.00 60.65 59.71 2qa4 s ILE 64 Cb -0.16 -2.93 0.02 0.00 -0.00 0.00 0.00 42.46 39.39 2qa4 s ILE 64 CO -0.13 0.00 0.27 -1.83 -0.00 0.00 0.00 174.94 173.25 2qa4 s GLU 65 N -4.35 2.24 -0.22 0.37 -1.05 -1.22 -4.96 118.70 109.51 2qa4 s GLU 65 Ca 0.55 -2.14 -0.04 0.00 -0.15 0.00 0.00 54.97 53.19 2qa4 s GLU 65 Cb -0.09 -1.91 0.09 0.00 -0.44 0.00 0.00 34.13 31.78 2qa4 s GLU 65 CO 0.33 -0.52 0.19 0.08 0.95 0.00 0.00 175.26 176.29 2qa4 s VAL 66 N -2.80 -0.25 -1.00 1.83 1.01 -1.26 -4.24 120.40 113.68 2qa4 s VAL 66 Ca 0.25 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2qa4 s VAL 66 Cb -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2qa4 s VAL 66 CO 0.15 -0.32 1.58 -0.83 0.00 0.00 0.00 175.10 175.68 2qa4 s GLY 67 N 2.26 1.00 -0.07 4.51 0.00 0.16 -4.95 107.32 110.25 2qa4 s GLY 67 Ca 0.06 -2.10 -0.30 0.00 0.00 0.00 0.00 44.72 42.39 2qa4 s GLY 67 CO -0.17 2.89 1.57 0.14 0.00 0.00 0.00 173.10 177.53 2qa4 s VAL 68 N 6.23 3.70 1.01 1.40 1.01 -1.26 -3.59 120.40 128.89 2qa4 s VAL 68 Ca 0.52 0.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 2qa4 s VAL 68 Cb -0.01 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 2qa4 s VAL 68 CO -0.07 -0.07 -0.71 -2.65 0.00 0.00 0.00 175.10 171.60 2qa4 n PRO 69 N 6.90 -0.26 -2.15 2.72 -0.02 -1.26 -4.93 135.00 136.01 2qa4 n PRO 69 Ca 0.16 -0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 2qa4 n PRO 69 Cb 0.43 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 2qa4 n PRO 69 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qa4 s PRO 70 N -2.47 4.02 0.23 0.52 0.04 -1.26 -4.91 135.00 131.16 2qa4 s PRO 70 Ca 0.44 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 2qa4 s PRO 70 Cb -0.10 -2.75 0.38 0.00 0.04 0.00 0.00 34.50 32.08 2qa4 s PRO 70 CO 0.73 -0.41 1.71 1.15 0.04 0.00 0.00 177.00 180.22 2qa4 h THR 71 N 2.44 0.61 -1.49 1.26 2.02 -2.00 -1.96 112.91 113.78 2qa4 h THR 71 Ca -0.49 -0.11 0.43 0.00 0.77 0.00 0.00 66.41 67.01 2qa4 h THR 71 Cb 1.24 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2qa4 h THR 71 CO 0.63 0.06 1.09 0.00 0.37 0.00 0.00 175.52 177.66 2qa4 h ALA 72 N 1.53 3.42 0.01 6.16 0.00 -1.96 -0.46 119.26 127.95 2qa4 h ALA 72 Ca 0.37 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.87 2qa4 h ALA 72 Cb 0.57 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2qa4 h ALA 72 CO -0.43 -1.86 -2.19 0.39 0.00 0.00 0.00 179.25 175.17 2qa4 n GLU 73 N -4.06 0.67 0.31 0.00 1.02 -0.75 -4.20 120.64 113.63 2qa4 n GLU 73 Ca 0.33 0.10 0.19 0.00 -0.02 0.00 0.00 57.16 57.77 2qa4 n GLU 73 Cb 1.56 -1.61 1.02 0.00 -0.02 0.00 0.00 31.44 32.39 2qa4 n GLU 73 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2qa4 h LEU 74 N 0.00 0.00 0.00 -4.62 3.38 -0.95 0.39 115.31 113.51 2qa4 h LEU 74 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2qa4 h LEU 74 Cb 2.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.89 2qa4 h LEU 74 CO 0.04 0.00 -0.51 2.30 0.09 0.00 0.00 178.44 180.35 2qa4 n ILE 75 N -3.26 0.09 1.03 1.22 -6.64 -1.17 -3.72 119.36 106.91 2qa4 n ILE 75 Ca -0.02 -0.08 0.13 0.00 -1.77 0.00 0.00 62.75 61.02 2qa4 n ILE 75 Cb 0.19 0.10 0.47 0.00 -1.44 0.00 0.00 39.64 38.96 2qa4 n ILE 75 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2qa4 n LYS 76 N -1.67 0.05 -0.10 6.28 4.76 0.14 -2.63 118.16 124.99 2qa4 n LYS 76 Ca 0.05 -0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 2qa4 n LYS 76 Cb 0.36 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.98 2qa4 n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qa4 n ASP 77 N -1.46 1.91 -0.27 4.39 2.03 -1.24 -2.08 116.55 119.83 2qa4 n ASP 77 Ca 0.07 0.09 -0.06 0.00 0.52 0.00 0.00 54.79 55.42 2qa4 n ASP 77 Cb 0.33 -0.47 0.06 0.00 -0.72 0.00 0.00 41.12 40.32 2qa4 n ASP 77 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2qa4 h GLU 78 N -0.41 1.05 -0.05 -0.67 4.39 -1.71 -2.31 114.58 114.87 2qa4 h GLU 78 Ca -0.48 -0.15 -0.20 0.00 0.34 0.00 0.00 59.36 58.87 2qa4 h GLU 78 Cb 1.54 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2qa4 h GLU 78 CO -0.20 0.82 -0.76 0.00 -1.16 0.00 0.00 179.01 177.70 2qa4 h ALA 79 N 1.18 0.16 0.00 3.43 0.00 -1.74 -3.48 119.26 118.81 2qa4 h ALA 79 Ca 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qa4 h ALA 79 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qa4 h ALA 79 CO -0.03 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2qa4 n GLY 80 N 0.93 1.00 2.97 0.00 0.00 -0.87 -5.07 105.19 104.15 2qa4 n GLY 80 Ca -0.10 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 2qa4 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qa4 s PHE 81 N -2.00 1.36 0.00 1.61 0.40 -0.89 -4.97 117.98 113.49 2qa4 s PHE 81 Ca 0.00 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2qa4 s PHE 81 Cb 0.00 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.48 2qa4 s PHE 81 CO 0.00 -0.33 0.00 -0.85 0.70 0.00 0.00 175.22 174.74 2qa4 n GLU 82 N 4.16 0.00 -0.64 0.44 -0.00 -1.26 -4.41 120.64 118.93 2qa4 n GLU 82 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.65 2qa4 n GLU 82 Cb 0.51 -0.23 0.18 0.00 -0.00 0.00 0.00 31.44 31.90 2qa4 n GLU 82 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2qa4 n THR 83 N 0.00 0.00 -3.60 3.84 -1.04 -1.26 -4.89 114.28 107.34 2qa4 n THR 83 Ca 0.00 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.05 61.55 2qa4 n THR 83 Cb 0.00 -0.81 -0.01 0.00 -1.82 0.00 0.00 70.33 67.69 2qa4 n THR 83 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2qa4 s GLY 84 N -2.22 1.38 -0.06 3.41 0.00 -1.26 -5.02 107.32 103.54 2qa4 s GLY 84 Ca 0.62 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 2qa4 s GLY 84 CO 0.64 -1.15 1.92 -0.45 0.00 0.00 0.00 173.10 174.06 2qa4 s SER 85 N -4.07 6.28 0.25 1.64 0.15 -1.26 -4.85 113.70 111.84 2qa4 s SER 85 Ca 0.40 2.31 -0.06 0.00 0.70 0.00 0.00 55.95 59.29 2qa4 s SER 85 Cb -0.09 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.14 2qa4 s SER 85 CO 0.32 -1.24 1.64 1.23 1.20 0.00 0.00 173.24 176.40 2qa4 h GLY 86 N 11.57 0.90 -5.73 9.45 0.00 -1.95 -3.35 103.07 113.96 2qa4 h GLY 86 Ca -0.44 0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.40 2qa4 h GLY 86 CO 0.95 -0.28 -0.83 -0.54 0.00 0.00 0.00 176.54 175.84 2qa4 s GLU 87 N -6.09 2.13 0.60 4.80 2.02 -1.26 -5.14 118.70 115.75 2qa4 s GLU 87 Ca -0.13 -0.56 0.09 0.00 0.02 0.00 0.00 54.97 54.39 2qa4 s GLU 87 Cb 0.22 -1.70 0.10 0.00 0.10 0.00 0.00 34.13 32.85 2qa4 s GLU 87 CO 0.75 0.06 0.83 -0.35 0.02 0.00 0.00 175.26 176.57 2qa4 n PRO 88 N 3.77 0.55 -4.13 0.39 -0.04 -1.26 -4.06 135.00 130.23 2qa4 n PRO 88 Ca -0.21 -3.15 -0.29 0.00 -0.04 0.00 0.00 63.50 59.80 2qa4 n PRO 88 Cb 0.52 -0.27 -0.05 0.00 -0.04 0.00 0.00 33.50 33.66 2qa4 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2qa4 n GLN 89 N -2.32 -2.44 0.04 0.54 6.02 -1.24 -4.46 117.38 113.52 2qa4 n GLN 89 Ca 0.17 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2qa4 n GLN 89 Cb 0.61 -4.33 0.00 0.00 1.02 0.00 0.00 30.24 27.54 2qa4 n GLN 89 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qa4 n GLU 90 N -4.44 0.00 -3.69 -1.09 4.07 -1.26 -5.08 120.64 109.14 2qa4 n GLU 90 Ca -0.24 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.47 2qa4 n GLU 90 Cb 0.65 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.92 2qa4 n GLU 90 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2qa4 s ASP 91 N -1.57 5.45 -0.18 4.31 2.15 -1.26 -5.08 116.67 120.50 2qa4 s ASP 91 Ca 0.00 -1.27 -0.09 0.00 0.43 0.00 0.00 52.55 51.62 2qa4 s ASP 91 Cb 0.00 -1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 40.66 2qa4 s ASP 91 CO 0.00 -0.40 0.12 -0.36 -0.17 0.00 0.00 175.17 174.36 2qa4 s PHE 92 N 1.41 3.42 -0.05 -5.34 0.40 -1.26 -4.68 117.98 111.88 2qa4 s PHE 92 Ca 0.01 0.33 0.19 0.00 -0.60 0.00 0.00 56.93 56.86 2qa4 s PHE 92 Cb -0.21 -2.10 -0.30 0.00 0.51 0.00 0.00 43.02 40.93 2qa4 s PHE 92 CO 0.03 0.36 0.38 1.33 0.70 0.00 0.00 175.22 178.01 2qa4 n VAL 93 N 3.21 0.19 -3.96 -0.44 0.24 -1.26 -5.03 118.33 111.28 2qa4 n VAL 93 Ca -0.17 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.54 2qa4 n VAL 93 Cb 0.53 -0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 2qa4 n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qa4 s ALA 94 N -3.24 -0.41 -0.32 2.33 0.00 -1.26 -5.12 121.76 113.74 2qa4 s ALA 94 Ca -0.08 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.18 2qa4 s ALA 94 Cb 0.12 1.02 0.18 0.00 0.00 0.00 0.00 23.12 24.44 2qa4 s ALA 94 CO 0.82 -0.87 0.55 0.34 0.00 0.00 0.00 175.76 176.60 2qa4 s ASP 95 N -2.99 -1.04 0.19 0.00 2.15 -1.26 -5.10 116.67 108.62 2qa4 s ASP 95 Ca 0.20 -0.24 -0.32 0.00 0.43 0.00 0.00 52.55 52.62 2qa4 s ASP 95 Cb -0.01 1.75 -0.12 0.00 -0.30 0.00 0.00 42.92 44.24 2qa4 s ASP 95 CO 0.08 -0.28 1.73 -0.76 -0.17 0.00 0.00 175.17 175.77 2qa4 s LEU 96 N 2.47 4.37 0.62 -1.34 1.43 -1.26 -4.97 118.68 120.01 2qa4 s LEU 96 Ca 0.12 2.84 -0.17 0.00 -1.03 0.00 0.00 54.13 55.89 2qa4 s LEU 96 Cb -0.09 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2qa4 s LEU 96 CO -0.21 -0.97 1.14 -0.94 0.23 0.00 0.00 176.35 175.59 2qa4 s SER 97 N 1.41 5.21 0.03 2.29 1.04 -1.26 -4.89 113.70 117.54 2qa4 s SER 97 Ca 0.76 2.14 -0.06 0.00 0.48 0.00 0.00 55.95 59.27 2qa4 s SER 97 Cb -0.49 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.05 2qa4 s SER 97 CO 0.33 -1.56 0.99 0.52 0.98 0.00 0.00 173.24 174.49 2qa4 n VAL 98 N -1.99 -0.14 -0.23 5.02 0.31 -1.26 -2.42 118.33 117.62 2qa4 n VAL 98 Ca 0.11 1.51 -0.02 0.00 -0.01 0.00 0.00 64.34 65.94 2qa4 n VAL 98 Cb 0.51 -1.97 0.04 0.00 -0.91 0.00 0.00 33.84 31.52 2qa4 n VAL 98 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2qa4 h ASP 99 N 0.00 -0.93 -0.50 4.52 3.58 -2.00 0.23 116.42 121.32 2qa4 h ASP 99 Ca 0.03 0.22 0.15 0.00 0.42 0.00 0.00 57.03 57.85 2qa4 h ASP 99 Cb 0.08 0.52 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2qa4 h ASP 99 CO -0.19 -0.27 0.66 1.56 -2.88 0.00 0.00 179.24 178.12 2qa4 h GLN 100 N -0.08 0.00 0.11 0.28 4.20 -1.85 0.38 115.11 118.15 2qa4 h GLN 100 Ca 0.29 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.69 2qa4 h GLN 100 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2qa4 h GLN 100 CO -0.72 0.00 -1.56 0.28 -0.67 0.00 0.00 178.83 176.16 2qa4 h VAL 101 N 0.00 1.11 -0.20 -0.54 2.07 -0.55 -3.08 116.25 115.07 2qa4 h VAL 101 Ca 0.24 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 2qa4 h VAL 101 Cb 1.56 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 34.05 2qa4 h VAL 101 CO -0.00 0.81 -0.01 0.50 0.02 0.00 0.00 177.57 178.89 2qa4 h LYS 102 N 0.06 0.28 -0.05 1.57 3.64 0.03 -2.38 116.57 119.73 2qa4 h LYS 102 Ca -0.25 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.98 2qa4 h LYS 102 Cb 2.02 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.79 2qa4 h LYS 102 CO 0.15 0.32 -0.36 1.96 -2.27 0.00 0.00 179.45 179.26 2qa4 h GLN 103 N 0.28 0.32 -0.91 1.90 4.20 -1.55 -1.30 115.11 118.05 2qa4 h GLN 103 Ca 0.07 -0.29 0.18 0.00 0.06 0.00 0.00 58.65 58.67 2qa4 h GLN 103 Cb 0.21 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 2qa4 h GLN 103 CO 0.01 0.95 0.59 0.82 -0.67 0.00 0.00 178.83 180.52 2qa4 h ILE 104 N -0.20 0.73 0.09 2.54 2.04 -1.36 0.39 117.51 121.74 2qa4 h ILE 104 Ca -0.03 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 65.39 2qa4 h ILE 104 Cb 1.04 0.14 0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2qa4 h ILE 104 CO 0.07 0.10 -1.02 0.00 0.00 0.00 0.00 178.15 177.31 2qa4 h ALA 105 N 1.61 0.01 -0.74 1.87 0.00 -1.43 -3.26 119.26 117.32 2qa4 h ALA 105 Ca 0.48 -0.71 0.20 0.00 0.00 0.00 0.00 54.91 54.88 2qa4 h ALA 105 Cb 0.98 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2qa4 h ALA 105 CO -0.21 0.56 0.00 -1.91 0.00 0.00 0.00 179.25 177.69 2qa4 n GLU 106 N -3.95 -0.06 0.00 0.00 4.07 0.12 -0.70 120.64 120.13 2qa4 n GLU 106 Ca -0.13 1.11 0.06 0.00 -0.06 0.00 0.00 57.16 58.14 2qa4 n GLU 106 Cb 0.88 -1.76 0.05 0.00 -0.06 0.00 0.00 31.44 30.55 2qa4 n GLU 106 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2qa4 n GLN 107 N -5.04 0.65 -0.05 5.31 -0.06 -1.22 -4.31 117.38 112.65 2qa4 n GLN 107 Ca 0.17 -1.17 0.12 0.00 -2.00 0.00 0.00 57.00 54.11 2qa4 n GLN 107 Cb 0.56 -1.22 0.46 0.00 -4.06 0.00 0.00 30.24 25.98 2qa4 n GLN 107 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2qa4 n LYS 108 N 0.63 1.59 0.17 3.69 5.02 0.13 -4.27 118.16 125.11 2qa4 n LYS 108 Ca 0.07 -0.88 -0.14 0.00 -2.02 0.00 0.00 58.31 55.34 2qa4 n LYS 108 Cb 0.29 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 2qa4 n LYS 108 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qa4 h HIS 109 N 1.88 -0.44 0.00 2.13 3.86 -1.69 -2.30 115.15 118.59 2qa4 h HIS 109 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2qa4 h HIS 109 Cb 0.41 0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 2qa4 h HIS 109 CO 0.06 -0.26 -0.00 -1.00 0.86 0.00 0.00 177.93 177.59 2qa4 h PRO 110 N -0.42 0.00 -0.06 2.45 0.13 -1.91 0.14 132.00 132.34 2qa4 h PRO 110 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2qa4 h PRO 110 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2qa4 h PRO 110 CO 0.02 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.33 2qa4 n ASP 111 N -3.85 1.69 -4.36 1.44 2.03 -1.04 -4.92 116.55 107.53 2qa4 n ASP 111 Ca -0.03 -1.59 -0.23 0.00 0.52 0.00 0.00 54.79 53.46 2qa4 n ASP 111 Cb 0.08 -0.03 -0.11 0.00 -0.72 0.00 0.00 41.12 40.34 2qa4 n ASP 111 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qa4 s LEU 112 N -1.89 2.46 -1.03 -2.67 1.02 0.50 -5.04 118.68 112.03 2qa4 s LEU 112 Ca 0.36 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.59 2qa4 s LEU 112 Cb 0.20 -0.90 0.30 0.00 0.02 0.00 0.00 46.19 45.81 2qa4 s LEU 112 CO 0.32 -0.01 1.39 0.18 0.02 0.00 0.00 176.35 178.24 2qa4 n LEU 113 N 0.17 6.10 0.00 1.79 4.32 -1.26 -4.91 117.00 123.21 2qa4 n LEU 113 Ca -0.12 -5.24 -0.06 0.00 -0.02 0.00 0.00 56.01 50.57 2qa4 n LEU 113 Cb 0.57 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 2qa4 n LEU 113 CO 0.30 1.73 0.03 -1.20 -1.22 0.00 0.00 177.39 177.03 2qa4 n SER 114 N 1.31 1.25 0.00 -1.43 7.64 -1.26 -5.03 113.62 116.10 2qa4 n SER 114 Ca 0.26 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2qa4 n SER 114 Cb 0.34 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2qa4 n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qa4 n TYR 115 N -0.94 0.00 -3.81 1.43 9.36 -1.26 -5.03 117.16 116.91 2qa4 n TYR 115 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 2qa4 n TYR 115 Cb 0.16 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.74 2qa4 n TYR 115 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2qa4 s ASP 116 N -0.92 -0.12 0.44 2.98 1.01 -1.26 -5.01 116.67 113.79 2qa4 s ASP 116 Ca 0.00 0.26 0.38 0.00 0.71 0.00 0.00 52.55 53.90 2qa4 s ASP 116 Cb 0.00 0.23 1.41 0.00 1.01 0.00 0.00 42.92 45.57 2qa4 s ASP 116 CO 0.00 -0.07 1.33 -0.11 0.21 0.00 0.00 175.17 176.52 2qa4 n LEU 117 N 3.37 0.06 0.40 1.23 7.94 -1.26 -1.06 117.00 127.67 2qa4 n LEU 117 Ca -0.17 0.95 -0.16 0.00 -1.11 0.00 0.00 56.01 55.53 2qa4 n LEU 117 Cb 0.57 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.97 2qa4 n LEU 117 CO 0.21 -0.98 0.50 0.74 -1.11 0.00 0.00 177.39 176.74 2qa4 h THR 118 N 0.00 0.00 -0.42 1.96 2.02 -2.00 -2.27 112.91 112.20 2qa4 h THR 118 Ca 0.79 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 68.03 2qa4 h THR 118 Cb 2.98 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2qa4 h THR 118 CO -0.13 0.00 0.35 0.78 0.37 0.00 0.00 175.52 176.89 2qa4 h ASN 119 N -1.07 0.00 -0.27 4.18 2.35 -1.51 -0.20 115.58 119.07 2qa4 h ASN 119 Ca -0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2qa4 h ASN 119 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2qa4 h ASN 119 CO 0.17 0.00 0.13 0.00 -1.65 0.00 0.00 177.43 176.08 2qa4 h ALA 120 N 1.70 0.35 -0.55 -0.83 0.00 -1.16 -1.76 119.26 117.01 2qa4 h ALA 120 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qa4 h ALA 120 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2qa4 h ALA 120 CO -0.00 -0.09 0.26 0.00 0.00 0.00 0.00 179.25 179.42 2qa4 h ALA 121 N 0.99 0.70 -0.90 0.00 0.00 -0.49 -0.97 119.26 118.59 2qa4 h ALA 121 Ca 0.09 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.05 2qa4 h ALA 121 Cb 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2qa4 h ALA 121 CO -0.01 0.27 0.58 0.87 0.00 0.00 0.00 179.25 180.96 2qa4 h LYS 122 N 0.74 0.56 -0.18 0.00 1.79 -1.04 0.93 116.57 119.37 2qa4 h LYS 122 Ca 0.19 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 2qa4 h LYS 122 Cb 0.12 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2qa4 h LYS 122 CO -0.02 0.37 -0.31 0.93 -1.08 0.00 0.00 179.45 179.34 2qa4 h GLU 123 N 0.57 0.52 0.28 3.15 5.08 -0.41 -2.18 114.58 121.60 2qa4 h GLU 123 Ca 0.47 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2qa4 h GLU 123 Cb 0.92 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2qa4 h GLU 123 CO -0.21 0.93 -0.13 0.28 -1.00 0.00 0.00 179.01 178.87 2qa4 h VAL 124 N 0.17 0.76 -0.02 3.13 2.07 0.64 -2.75 116.25 120.24 2qa4 h VAL 124 Ca 0.01 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qa4 h VAL 124 Cb 0.89 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2qa4 h VAL 124 CO 0.07 0.06 0.02 -0.37 0.02 0.00 0.00 177.57 177.36 2qa4 h VAL 125 N -0.51 0.74 -0.82 2.57 -1.51 0.65 -1.07 116.25 116.30 2qa4 h VAL 125 Ca -0.04 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.40 2qa4 h VAL 125 Cb 0.38 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 2qa4 h VAL 125 CO 0.06 0.00 0.39 1.23 -1.23 0.00 0.00 177.57 178.02 2qa4 h GLY 126 N 0.00 1.28 2.00 5.19 0.00 -1.09 -1.28 103.07 109.17 2qa4 h GLY 126 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2qa4 h GLY 126 CO -0.00 0.61 0.00 2.41 0.00 0.00 0.00 176.54 179.56 2qa4 n THR 127 N -4.30 0.48 0.19 4.70 -1.04 -0.46 -4.34 114.28 109.51 2qa4 n THR 127 Ca 0.08 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.05 61.79 2qa4 n THR 127 Cb 0.15 -0.58 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 2qa4 n THR 127 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qa4 h THR 129 N -0.68 0.31 0.00 0.00 2.02 -1.75 -3.51 112.91 109.30 2qa4 h THR 129 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2qa4 h THR 129 Cb 0.38 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2qa4 h THR 129 CO 0.08 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.43