#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s LYS 2 N 0.00 4.38 -0.13 4.33 -0.14 -1.26 -4.98 119.74 121.94 2qa4 s LYS 2 Ca 0.00 0.83 0.13 0.00 -1.36 0.00 0.00 55.97 55.57 2qa4 s LYS 2 Cb 0.00 -3.37 -0.24 0.00 -1.68 0.00 0.00 37.83 32.55 2qa4 s LYS 2 CO 0.00 0.29 0.35 2.41 -0.76 0.00 0.00 175.35 177.64 2qa4 n THR 3 N 2.94 1.53 -2.07 2.17 -1.04 -1.26 -4.87 114.28 111.68 2qa4 n THR 3 Ca -0.05 -0.80 -0.43 0.00 -2.04 0.00 0.00 64.05 60.74 2qa4 n THR 3 Cb 0.51 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 2qa4 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qa4 s ASN 4 N -5.95 6.47 0.49 8.00 3.84 -1.26 -4.88 114.94 121.65 2qa4 s ASN 4 Ca -0.10 1.84 0.28 0.00 0.21 0.00 0.00 52.86 55.09 2qa4 s ASN 4 Cb 0.07 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.16 2qa4 s ASN 4 CO 0.81 -1.15 1.82 -0.65 -2.79 0.00 0.00 177.10 175.14 2qa4 h PRO 5 N 10.36 0.00 0.13 0.43 0.11 -1.98 -1.76 132.00 139.28 2qa4 h PRO 5 Ca -0.35 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.45 2qa4 h PRO 5 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qa4 h PRO 5 CO 0.98 0.06 -1.53 0.00 -0.21 0.00 0.00 178.00 177.30 2qa4 h ARG 6 N 0.00 0.27 0.69 1.05 3.08 -1.97 -1.86 114.38 115.63 2qa4 h ARG 6 Ca -0.00 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2qa4 h ARG 6 Cb 0.74 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.96 2qa4 h ARG 6 CO 0.01 1.14 -0.33 1.25 -1.07 0.00 0.00 179.97 180.96 2qa4 h LEU 7 N 0.07 -0.78 -1.00 3.04 5.85 -1.95 0.36 115.31 120.90 2qa4 h LEU 7 Ca -0.24 0.03 0.32 0.00 0.84 0.00 0.00 57.88 58.82 2qa4 h LEU 7 Cb 2.02 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 43.11 2qa4 h LEU 7 CO 0.17 -0.43 0.56 -1.28 -0.34 0.00 0.00 178.44 177.12 2qa4 h SER 8 N -1.19 0.50 0.46 1.25 0.87 -1.44 0.31 113.55 114.31 2qa4 h SER 8 Ca -0.09 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2qa4 h SER 8 Cb 0.71 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2qa4 h SER 8 CO 0.15 -0.13 -0.22 -1.28 -0.53 0.00 0.00 176.83 174.83 2qa4 h SER 9 N 0.33 -0.52 -1.01 6.23 0.87 -0.99 -2.37 113.55 116.08 2qa4 h SER 9 Ca 0.72 0.02 0.23 0.00 -1.23 0.00 0.00 61.79 61.53 2qa4 h SER 9 Cb 1.63 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 63.62 2qa4 h SER 9 CO -0.60 -0.25 0.61 0.25 -0.53 0.00 0.00 176.83 176.31 2qa4 h LEU 10 N -0.87 0.66 -0.98 2.23 5.85 0.11 0.41 115.31 122.72 2qa4 h LEU 10 Ca -0.06 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2qa4 h LEU 10 Cb 0.47 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2qa4 h LEU 10 CO 0.10 0.15 0.06 0.40 -0.34 0.00 0.00 178.44 178.81 2qa4 h ILE 11 N 0.60 1.23 -0.43 4.05 2.04 -0.44 0.59 117.51 125.15 2qa4 h ILE 11 Ca 0.61 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 2qa4 h ILE 11 Cb 1.17 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2qa4 h ILE 11 CO -0.41 0.33 0.01 0.00 0.00 0.00 0.00 178.15 178.08 2qa4 h ALA 12 N 1.30 1.21 -0.10 1.87 0.00 0.30 -1.12 119.26 122.71 2qa4 h ALA 12 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2qa4 h ALA 12 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qa4 h ALA 12 CO 0.01 0.52 -0.21 -0.44 0.00 0.00 0.00 179.25 179.13 2qa4 h ASP 13 N 0.66 0.37 -0.41 0.00 3.32 -0.02 -1.24 116.42 119.10 2qa4 h ASP 13 Ca 0.13 -0.56 0.08 0.00 0.02 0.00 0.00 57.03 56.70 2qa4 h ASP 13 Cb 0.40 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2qa4 h ASP 13 CO 0.01 0.86 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.27 2qa4 h LEU 14 N -0.11 -0.28 0.84 1.55 3.38 0.44 0.15 115.31 121.28 2qa4 h LEU 14 Ca 0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2qa4 h LEU 14 Cb 0.80 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qa4 h LEU 14 CO 0.05 -0.10 -0.44 0.11 0.09 0.00 0.00 178.44 178.15 2qa4 h LYS 15 N 0.05 -1.14 -0.99 1.13 1.57 -1.20 -1.00 116.57 114.99 2qa4 h LYS 15 Ca 0.20 0.08 0.29 0.00 -1.87 0.00 0.00 60.65 59.35 2qa4 h LYS 15 Cb 0.30 0.26 -0.14 0.00 0.08 0.00 0.00 32.23 32.73 2qa4 h LYS 15 CO -0.38 -0.76 0.54 1.03 -0.57 0.00 0.00 179.45 179.31 2qa4 h SER 16 N -1.18 0.51 -0.02 0.86 0.87 -0.78 0.20 113.55 114.01 2qa4 h SER 16 Ca -0.11 0.18 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 2qa4 h SER 16 Cb 0.92 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2qa4 h SER 16 CO 0.16 -0.07 -0.76 0.00 -0.53 0.00 0.00 176.83 175.63 2qa4 h ALA 17 N 1.81 0.40 0.00 6.23 0.00 -0.52 -1.10 119.26 126.08 2qa4 h ALA 17 Ca 0.69 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2qa4 h ALA 17 Cb 1.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2qa4 h ALA 17 CO -0.57 0.71 -0.28 0.00 0.00 0.00 0.00 179.25 179.11 2qa4 h ALA 18 N 0.68 1.05 0.05 0.00 0.00 0.67 -2.13 119.26 119.59 2qa4 h ALA 18 Ca -0.05 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 2qa4 h ALA 18 Cb 1.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2qa4 h ALA 18 CO 0.15 0.35 -1.57 0.00 0.00 0.00 0.00 179.25 178.19 2qa4 h ARG 19 N 0.00 0.11 0.00 0.00 3.08 -0.87 -3.34 114.38 113.36 2qa4 h ARG 19 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2qa4 h ARG 19 Cb 0.76 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2qa4 h ARG 19 CO 0.04 0.86 0.00 0.43 -1.07 0.00 0.00 179.97 180.23 2qa4 n SER 20 N -3.28 0.00 -4.04 7.04 7.64 -0.42 -4.87 113.62 115.69 2qa4 n SER 20 Ca -0.16 0.51 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 2qa4 n SER 20 Cb 1.03 -0.11 0.20 0.00 -1.01 0.00 0.00 64.21 64.32 2qa4 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2qa4 s SER 21 N -1.89 2.96 0.00 6.43 0.01 -0.82 -4.91 113.70 115.48 2qa4 s SER 21 Ca 0.00 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2qa4 s SER 21 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2qa4 s SER 21 CO 0.00 -2.82 0.75 0.61 0.41 0.00 0.00 173.24 172.19 2qa4 n GLY 22 N -3.80 1.58 3.75 3.44 0.00 -1.26 -4.70 105.19 104.19 2qa4 n GLY 22 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qa4 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qa4 s GLY 23 N 0.77 2.61 0.00 -0.02 0.00 -1.25 -4.88 107.32 104.56 2qa4 s GLY 23 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.86 2qa4 s GLY 23 CO 0.00 2.00 0.00 0.00 0.00 0.00 0.00 173.10 175.10 2qa4 n ALA 24 N 2.10 1.43 0.09 3.20 0.00 -1.26 -4.58 120.51 121.49 2qa4 n ALA 24 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 2qa4 n ALA 24 Cb 0.43 0.09 0.13 0.00 0.00 0.00 0.00 19.45 20.09 2qa4 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qa4 h VAL 25 N 0.00 1.39 -0.29 0.00 -1.51 -1.90 -1.24 116.25 112.70 2qa4 h VAL 25 Ca 0.00 -1.96 -0.11 0.00 -1.23 0.00 0.00 66.70 63.40 2qa4 h VAL 25 Cb 0.36 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2qa4 h VAL 25 CO 0.00 0.58 -0.25 -0.50 -1.23 0.00 0.00 177.57 176.17 2qa4 h TRP 26 N 0.17 0.81 -0.02 5.19 -0.00 -1.89 -1.66 115.95 118.55 2qa4 h TRP 26 Ca -0.00 -0.23 -0.08 0.00 -0.00 0.00 0.00 58.89 58.57 2qa4 h TRP 26 Cb 1.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 30.07 2qa4 h TRP 26 CO 0.02 0.96 -0.37 0.78 -0.00 0.00 0.00 178.44 179.84 2qa4 h GLY 27 N 0.42 0.04 0.89 1.49 0.00 -1.77 -0.91 103.07 103.23 2qa4 h GLY 27 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 2qa4 h GLY 27 CO 0.06 0.03 -0.11 -1.80 0.00 0.00 0.00 176.54 174.72 2qa4 h ASP 28 N 0.03 0.60 0.12 0.19 3.58 -1.02 -2.87 116.42 117.04 2qa4 h ASP 28 Ca 0.00 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 2qa4 h ASP 28 Cb 0.67 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2qa4 h ASP 28 CO 0.05 0.86 -0.06 0.58 -2.88 0.00 0.00 179.24 177.79 2qa4 h VAL 29 N 0.33 0.98 -0.94 2.25 2.07 -0.88 -1.83 116.25 118.23 2qa4 h VAL 29 Ca 0.07 -0.38 0.23 0.00 0.82 0.00 0.00 66.70 67.43 2qa4 h VAL 29 Cb 0.62 1.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.49 2qa4 h VAL 29 CO 0.04 0.09 0.49 0.00 0.02 0.00 0.00 177.57 178.21 2qa4 h ALA 30 N 0.53 1.59 -0.22 1.67 0.00 -1.20 0.22 119.26 121.85 2qa4 h ALA 30 Ca -0.02 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2qa4 h ALA 30 Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qa4 h ALA 30 CO 0.03 -0.28 -0.41 0.93 0.00 0.00 0.00 179.25 179.52 2qa4 h GLU 31 N 0.51 0.51 0.00 0.00 5.08 -1.25 -0.97 114.58 118.46 2qa4 h GLU 31 Ca 0.59 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2qa4 h GLU 31 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2qa4 h GLU 31 CO -0.49 0.83 0.00 -2.13 -1.00 0.00 0.00 179.01 176.22 2qa4 n ARG 32 N -4.03 0.19 -0.04 2.33 3.00 0.54 -3.24 116.66 115.42 2qa4 n ARG 32 Ca -0.02 0.22 -0.10 0.00 -0.00 0.00 0.00 57.85 57.95 2qa4 n ARG 32 Cb 0.51 -1.75 -0.14 0.00 0.00 0.00 0.00 32.46 31.08 2qa4 n ARG 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2qa4 n LEU 33 N -2.08 0.89 0.26 6.15 4.77 0.03 -3.73 117.00 123.29 2qa4 n LEU 33 Ca 0.05 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.50 2qa4 n LEU 33 Cb 0.36 0.11 0.58 0.00 -2.33 0.00 0.00 43.42 42.14 2qa4 n LEU 33 CO 0.27 0.46 0.95 -0.33 -1.33 0.00 0.00 177.39 177.41 2qa4 h GLU 34 N 0.01 0.00 -7.33 3.23 5.08 -1.20 -3.45 114.58 110.92 2qa4 h GLU 34 Ca -0.35 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.51 2qa4 h GLU 34 Cb 2.06 0.00 0.13 0.00 0.50 0.00 0.00 28.75 31.44 2qa4 h GLU 34 CO 0.07 0.00 0.30 0.15 -1.00 0.00 0.00 179.01 178.53 2qa4 s LYS 35 N -3.55 2.00 0.15 2.33 1.02 -1.20 -4.95 119.74 115.54 2qa4 s LYS 35 Ca 0.03 0.97 -0.34 0.00 0.02 0.00 0.00 55.97 56.65 2qa4 s LYS 35 Cb 0.08 -1.88 -0.15 0.00 -0.52 0.00 0.00 37.83 35.36 2qa4 s LYS 35 CO 0.56 -1.76 1.36 -2.30 -0.92 0.00 0.00 175.35 172.28 2qa4 n PRO 36 N -3.58 1.53 -0.44 -1.68 -0.02 -1.26 -4.85 135.00 124.70 2qa4 n PRO 36 Ca 0.08 0.55 0.36 0.00 -2.02 0.00 0.00 63.50 62.47 2qa4 n PRO 36 Cb 0.54 -2.18 0.65 0.00 -0.02 0.00 0.00 33.50 32.49 2qa4 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa4 h ARG 37 N 4.46 0.12 0.00 -0.52 3.08 -1.92 0.32 114.38 119.92 2qa4 h ARG 37 Ca -0.45 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 2qa4 h ARG 37 Cb 1.31 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2qa4 h ARG 37 CO 0.78 0.08 -0.01 0.07 -1.07 0.00 0.00 179.97 179.81 2qa4 h ARG 38 N 0.12 0.00 0.00 0.04 0.11 -2.00 -0.17 114.38 112.48 2qa4 h ARG 38 Ca 0.77 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.85 2qa4 h ARG 38 Cb 2.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.57 2qa4 h ARG 38 CO -0.33 0.01 -0.31 0.25 0.10 0.00 0.00 179.97 179.69 2qa4 n THR 39 N -3.13 0.13 -1.23 0.08 -2.24 0.11 -4.89 114.28 103.10 2qa4 n THR 39 Ca -0.01 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 2qa4 n THR 39 Cb 0.21 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.40 2qa4 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qa4 s HIS 40 N -3.04 2.34 -0.23 4.78 3.76 -0.08 -4.96 115.29 117.86 2qa4 s HIS 40 Ca 0.11 1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 56.34 2qa4 s HIS 40 Cb 0.17 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.70 2qa4 s HIS 40 CO 0.64 -2.06 1.07 0.00 -0.85 0.00 0.00 174.74 173.54 2qa4 s ALA 41 N -2.69 3.66 -0.82 -1.40 0.00 -1.16 -4.95 121.76 114.40 2qa4 s ALA 41 Ca 0.64 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2qa4 s ALA 41 Cb -0.20 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.55 2qa4 s ALA 41 CO 0.53 -1.12 0.67 -1.21 0.00 0.00 0.00 175.76 174.64 2qa4 s GLU 42 N 3.29 2.98 -0.11 0.00 2.02 -1.25 0.53 118.70 126.16 2qa4 s GLU 42 Ca 0.46 -3.28 -0.03 0.00 0.02 0.00 0.00 54.97 52.13 2qa4 s GLU 42 Cb -0.16 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 2qa4 s GLU 42 CO 0.08 -1.27 0.02 0.08 0.02 0.00 0.00 175.26 174.19 2qa4 s VAL 43 N -1.35 4.44 0.69 2.63 1.01 -0.72 -4.90 120.40 122.19 2qa4 s VAL 43 Ca 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2qa4 s VAL 43 Cb -0.07 -2.89 0.09 0.00 0.00 0.00 0.00 36.38 33.51 2qa4 s VAL 43 CO -0.14 0.58 0.97 0.20 0.00 0.00 0.00 175.10 176.71 2qa4 s ASN 44 N -0.64 4.60 0.06 3.32 0.01 -1.26 0.40 114.94 121.43 2qa4 s ASN 44 Ca 0.11 -0.01 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 2qa4 s ASN 44 Cb -0.12 -0.54 -0.11 0.00 0.41 0.00 0.00 41.25 40.89 2qa4 s ASN 44 CO 0.02 -1.68 1.46 -0.07 -1.51 0.00 0.00 177.10 175.32 2qa4 h LEU 45 N -0.48 0.36 -0.85 0.60 3.38 -1.23 -3.24 115.31 113.84 2qa4 h LEU 45 Ca -0.41 -0.36 0.30 0.00 0.09 0.00 0.00 57.88 57.51 2qa4 h LEU 45 Cb 1.28 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 2qa4 h LEU 45 CO 0.48 0.63 0.27 0.61 0.09 0.00 0.00 178.44 180.52 2qa4 n GLY 46 N -0.17 -0.86 0.20 0.83 0.00 -1.19 0.56 105.19 104.55 2qa4 n GLY 46 Ca -0.05 0.75 -0.17 0.00 0.00 0.00 0.00 46.02 46.55 2qa4 n GLY 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qa4 h ARG 47 N 0.00 0.68 -0.69 1.61 2.43 -1.90 -2.92 114.38 113.60 2qa4 h ARG 47 Ca 0.63 -0.57 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2qa4 h ARG 47 Cb 1.54 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.17 2qa4 h ARG 47 CO -0.72 1.18 0.44 0.82 -1.51 0.00 0.00 179.97 180.19 2qa4 h ILE 48 N 0.36 1.13 0.32 1.20 2.04 0.02 -2.39 117.51 120.19 2qa4 h ILE 48 Ca -0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2qa4 h ILE 48 Cb 1.32 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2qa4 h ILE 48 CO 0.14 0.16 -0.28 -0.08 0.00 0.00 0.00 178.15 178.10 2qa4 h GLU 49 N 0.89 -0.56 -0.89 2.37 4.57 -1.33 -1.06 114.58 118.56 2qa4 h GLU 49 Ca 0.27 0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.73 2qa4 h GLU 49 Cb -0.04 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 28.53 2qa4 h GLU 49 CO -0.08 -0.38 0.22 -0.09 -1.18 0.00 0.00 179.01 177.51 2qa4 h ARG 50 N -0.58 0.17 0.00 1.92 2.43 -1.30 -3.20 114.38 113.83 2qa4 h ARG 50 Ca -0.04 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2qa4 h ARG 50 Cb 0.49 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2qa4 h ARG 50 CO -0.01 0.11 -1.80 0.66 -1.51 0.00 0.00 179.97 177.43 2qa4 n TYR 51 N -5.26 0.00 -2.54 2.20 0.53 -0.92 -5.02 117.16 106.15 2qa4 n TYR 51 Ca 0.22 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.76 2qa4 n TYR 51 Cb 0.71 -0.50 -0.03 0.00 -1.03 0.00 0.00 39.34 38.49 2qa4 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2qa4 s ALA 52 N -2.70 2.88 0.06 -0.72 0.00 -0.40 -5.07 121.76 115.81 2qa4 s ALA 52 Ca -0.06 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2qa4 s ALA 52 Cb 0.07 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2qa4 s ALA 52 CO 0.59 -0.31 -0.07 1.14 0.00 0.00 0.00 175.76 177.10 2qa4 s GLN 53 N -3.19 0.61 0.83 0.00 -2.07 -1.26 -4.90 119.66 109.69 2qa4 s GLN 53 Ca 0.67 -0.93 -0.14 0.00 -1.82 0.00 0.00 55.36 53.14 2qa4 s GLN 53 Cb -0.17 -0.24 0.03 0.00 -1.09 0.00 0.00 33.01 31.54 2qa4 s GLN 53 CO 0.20 0.02 0.68 0.39 -1.32 0.00 0.00 175.29 175.26 2qa4 n GLU 54 N 1.00 0.03 -2.90 9.60 1.02 -1.26 -3.10 120.64 125.03 2qa4 n GLU 54 Ca -0.20 0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 56.82 2qa4 n GLU 54 Cb 0.57 -2.01 0.01 0.00 -0.02 0.00 0.00 31.44 29.98 2qa4 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qa4 n ASP 55 N -1.55 -4.64 -3.43 1.62 8.00 -1.26 -4.92 116.55 110.38 2qa4 n ASP 55 Ca 0.10 -0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 2qa4 n ASP 55 Cb 0.51 -3.84 -0.11 0.00 -0.02 0.00 0.00 41.12 37.67 2qa4 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2qa4 s GLU 56 N -5.54 0.34 0.21 -1.24 2.12 -1.18 -4.93 118.70 108.49 2qa4 s GLU 56 Ca 0.21 -0.36 -0.32 0.00 0.36 0.00 0.00 54.97 54.86 2qa4 s GLU 56 Cb -0.11 -0.80 -0.13 0.00 0.26 0.00 0.00 34.13 33.35 2qa4 s GLU 56 CO 0.26 -1.06 1.49 2.41 -0.54 0.00 0.00 175.26 177.82 2qa4 n THR 57 N 5.11 0.58 -3.45 -1.70 -1.04 -1.10 -4.56 114.28 108.13 2qa4 n THR 57 Ca -0.01 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.05 61.48 2qa4 n THR 57 Cb 0.45 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.35 2qa4 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qa4 s VAL 58 N 0.32 5.24 -0.17 12.58 1.01 0.67 -1.25 120.40 138.81 2qa4 s VAL 58 Ca 0.72 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 2qa4 s VAL 58 Cb -0.65 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 2qa4 s VAL 58 CO 0.45 0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 175.08 2qa4 s VAL 59 N 0.95 3.26 -0.30 2.92 1.01 0.86 0.75 120.40 129.86 2qa4 s VAL 59 Ca 0.18 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2qa4 s VAL 59 Cb -0.14 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.90 2qa4 s VAL 59 CO 0.07 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 174.96 2qa4 s VAL 60 N 0.81 1.88 -0.72 2.92 1.01 0.67 -1.63 120.40 125.33 2qa4 s VAL 60 Ca -0.03 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 2qa4 s VAL 60 Cb -0.15 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2qa4 s VAL 60 CO 0.01 -0.38 1.90 -0.81 0.00 0.00 0.00 175.10 175.82 2qa4 n PRO 61 N 4.47 1.57 0.00 2.72 -0.04 -1.26 -3.80 135.00 138.66 2qa4 n PRO 61 Ca -0.04 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 2qa4 n PRO 61 Cb 0.42 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2qa4 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qa4 n GLY 62 N 4.09 -0.70 3.35 0.55 0.00 -1.26 -2.96 105.19 108.25 2qa4 n GLY 62 Ca 0.41 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 2qa4 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qa4 s LYS 63 N -0.23 1.31 -0.10 1.61 2.20 0.19 -0.63 119.74 124.08 2qa4 s LYS 63 Ca 0.00 -1.43 0.02 0.00 -0.36 0.00 0.00 55.97 54.20 2qa4 s LYS 63 Cb 0.00 -1.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.92 2qa4 s LYS 63 CO 0.00 0.28 -0.18 0.08 -0.36 0.00 0.00 175.35 175.17 2qa4 s VAL 64 N -2.03 2.59 0.22 4.02 1.01 0.22 -1.76 120.40 124.67 2qa4 s VAL 64 Ca 0.17 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2qa4 s VAL 64 Cb -0.06 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2qa4 s VAL 64 CO 0.07 0.55 0.34 -0.76 0.00 0.00 0.00 175.10 175.30 2qa4 s LEU 65 N 0.18 4.32 -0.18 3.92 1.43 0.16 -0.43 118.68 128.08 2qa4 s LEU 65 Ca -0.11 0.09 0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2qa4 s LEU 65 Cb -0.16 -2.87 0.65 0.00 0.03 0.00 0.00 46.19 43.85 2qa4 s LEU 65 CO 0.06 -0.04 1.50 0.61 0.23 0.00 0.00 176.35 178.71 2qa4 n GLY 66 N -1.20 2.63 3.69 -3.19 0.00 -1.26 -2.97 105.19 102.89 2qa4 n GLY 66 Ca -0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2qa4 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa4 s SER 67 N -0.64 7.21 0.00 1.61 0.01 -1.26 -4.80 113.70 115.83 2qa4 s SER 67 Ca 0.43 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2qa4 s SER 67 Cb 0.33 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2qa4 s SER 67 CO 0.14 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2qa4 n GLY 68 N 3.11 1.21 3.25 3.44 0.00 -1.26 -1.75 105.19 113.19 2qa4 n GLY 68 Ca 0.07 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2qa4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 69 N -1.31 2.61 -0.17 1.61 1.01 -1.26 -4.69 120.40 118.20 2qa4 s VAL 69 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2qa4 s VAL 69 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2qa4 s VAL 69 CO 0.00 0.51 -0.15 -0.22 0.00 0.00 0.00 175.10 175.24 2qa4 s LEU 70 N 0.89 2.41 -0.04 3.92 2.96 -1.26 -4.50 118.68 123.06 2qa4 s LEU 70 Ca -0.04 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2qa4 s LEU 70 Cb -0.15 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2qa4 s LEU 70 CO -0.01 0.04 -0.03 0.00 -1.32 0.00 0.00 176.35 175.03 2qa4 n GLN 71 N 4.34 0.51 -1.71 1.98 6.02 -1.26 -4.80 117.38 122.46 2qa4 n GLN 71 Ca -0.20 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.38 2qa4 n GLN 71 Cb 0.51 -1.08 -0.02 0.00 1.02 0.00 0.00 30.24 30.68 2qa4 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qa4 n LYS 72 N -2.55 2.29 -2.62 -1.09 5.02 -1.26 -4.87 118.16 113.08 2qa4 n LYS 72 Ca -0.07 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 2qa4 n LYS 72 Cb 0.58 -2.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2qa4 n LYS 72 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2qa4 s ASP 73 N 0.17 6.85 0.18 4.39 2.15 -1.24 -4.64 116.67 124.53 2qa4 s ASP 73 Ca 0.63 -2.46 0.10 0.00 0.43 0.00 0.00 52.55 51.25 2qa4 s ASP 73 Cb -0.57 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.45 2qa4 s ASP 73 CO 0.53 -1.14 -0.19 0.68 -0.17 0.00 0.00 175.17 174.88 2qa4 s VAL 74 N 3.95 2.63 -0.09 1.11 -7.23 -1.26 -4.72 120.40 114.79 2qa4 s VAL 74 Ca 0.52 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 2qa4 s VAL 74 Cb 0.03 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2qa4 s VAL 74 CO 0.06 -0.09 0.33 -0.89 -0.31 0.00 0.00 175.10 174.20 2qa4 s THR 75 N -1.62 5.22 -0.03 5.32 2.01 -1.26 -3.14 115.64 122.14 2qa4 s THR 75 Ca 0.22 0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.93 2qa4 s THR 75 Cb -0.08 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2qa4 s THR 75 CO 0.11 0.49 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.58 2qa4 s VAL 76 N -0.29 2.03 -0.11 3.82 1.01 -0.13 -0.24 120.40 126.49 2qa4 s VAL 76 Ca 0.20 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2qa4 s VAL 76 Cb -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2qa4 s VAL 76 CO 0.08 0.57 -0.11 0.00 0.00 0.00 0.00 175.10 175.64 2qa4 s ALA 77 N -0.44 1.48 0.10 5.51 0.00 0.23 -0.54 121.76 128.10 2qa4 s ALA 77 Ca 0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2qa4 s ALA 77 Cb -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2qa4 s ALA 77 CO 0.01 -0.28 0.12 0.00 0.00 0.00 0.00 175.76 175.61 2qa4 s ALA 78 N 1.39 0.19 0.35 0.00 0.00 -1.20 -0.24 121.76 122.25 2qa4 s ALA 78 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2qa4 s ALA 78 Cb -0.13 0.54 0.65 0.00 0.00 0.00 0.00 23.12 24.17 2qa4 s ALA 78 CO -0.06 -0.49 1.89 0.28 0.00 0.00 0.00 175.76 177.39 2qa4 h VAL 79 N 2.85 1.19 -2.74 0.00 2.07 -0.97 -3.02 116.25 115.63 2qa4 h VAL 79 Ca -0.34 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2qa4 h VAL 79 Cb 1.19 0.95 -0.14 0.00 -1.52 0.00 0.00 31.29 31.77 2qa4 h VAL 79 CO 0.58 0.25 0.24 -0.62 0.02 0.00 0.00 177.57 178.05 2qa4 s ASP 80 N -6.75 -0.56 0.02 0.57 2.15 -1.04 -4.82 116.67 106.23 2qa4 s ASP 80 Ca -0.07 0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.06 2qa4 s ASP 80 Cb 0.16 0.56 -0.02 0.00 -0.30 0.00 0.00 42.92 43.33 2qa4 s ASP 80 CO 0.76 -0.87 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.44 2qa4 s PHE 81 N -3.23 0.83 1.10 -5.34 0.40 -1.26 -0.61 117.98 109.87 2qa4 s PHE 81 Ca -0.01 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 2qa4 s PHE 81 Cb -0.01 -0.51 0.24 0.00 0.51 0.00 0.00 43.02 43.26 2qa4 s PHE 81 CO -0.09 -0.02 1.06 -1.54 0.70 0.00 0.00 175.22 175.34 2qa4 s SER 82 N -0.82 1.67 0.24 1.36 1.04 0.42 -4.76 113.70 112.85 2qa4 s SER 82 Ca -0.01 1.20 0.02 0.00 0.48 0.00 0.00 55.95 57.64 2qa4 s SER 82 Cb -0.06 -1.86 0.27 0.00 0.10 0.00 0.00 66.02 64.47 2qa4 s SER 82 CO 0.00 -3.73 1.60 1.23 0.98 0.00 0.00 173.24 173.33 2qa4 h GLY 83 N -2.30 0.42 1.08 7.32 0.00 -1.98 -2.20 103.07 105.40 2qa4 h GLY 83 Ca -0.56 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.16 2qa4 h GLY 83 CO 0.52 0.41 -0.40 -0.84 0.00 0.00 0.00 176.54 176.23 2qa4 h THR 84 N 0.31 1.28 0.00 4.70 2.02 -1.95 -2.21 112.91 117.06 2qa4 h THR 84 Ca 0.02 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.55 2qa4 h THR 84 Cb 0.96 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2qa4 h THR 84 CO 0.08 0.52 -0.34 0.00 0.37 0.00 0.00 175.52 176.15 2qa4 h ALA 85 N 0.72 1.24 0.00 6.16 0.00 -1.82 0.28 119.26 125.84 2qa4 h ALA 85 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qa4 h ALA 85 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2qa4 h ALA 85 CO 0.09 0.43 -0.22 -1.91 0.00 0.00 0.00 179.25 177.64 2qa4 n GLU 86 N -3.85 0.15 -0.10 0.00 2.13 -0.84 -2.59 120.64 115.54 2qa4 n GLU 86 Ca -0.01 0.09 -0.18 0.00 0.66 0.00 0.00 57.16 57.72 2qa4 n GLU 86 Cb 0.41 -1.64 -0.13 0.00 0.27 0.00 0.00 31.44 30.35 2qa4 n GLU 86 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2qa4 n THR 87 N -1.89 1.53 -0.05 6.31 -1.04 -0.77 -3.46 114.28 114.90 2qa4 n THR 87 Ca 0.05 -0.62 -0.04 0.00 -2.04 0.00 0.00 64.05 61.41 2qa4 n THR 87 Cb 0.39 -1.38 0.17 0.00 -1.82 0.00 0.00 70.33 67.69 2qa4 n THR 87 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2qa4 h LYS 88 N 0.01 0.66 0.17 -2.82 1.57 -0.55 -3.24 116.57 112.36 2qa4 h LYS 88 Ca -0.54 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.01 2qa4 h LYS 88 Cb 1.96 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2qa4 h LYS 88 CO -0.05 0.77 -0.08 0.82 -0.57 0.00 0.00 179.45 180.34 2qa4 h ILE 89 N 0.60 0.10 -0.14 1.86 2.04 -1.70 -3.30 117.51 116.96 2qa4 h ILE 89 Ca 0.10 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.11 2qa4 h ILE 89 Cb 0.57 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2qa4 h ILE 89 CO 0.04 0.03 0.95 0.44 0.00 0.00 0.00 178.15 179.61 2qa4 h ASP 90 N -1.05 0.00 0.28 1.72 3.32 -1.65 0.18 116.42 119.22 2qa4 h ASP 90 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2qa4 h ASP 90 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qa4 h ASP 90 CO 0.04 0.00 -0.14 1.56 -1.72 0.00 0.00 179.24 178.98 2qa4 h GLN 91 N 0.00 -0.37 -0.02 3.56 4.20 -1.64 -3.36 115.11 117.49 2qa4 h GLN 91 Ca 0.07 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2qa4 h GLN 91 Cb 1.97 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.83 2qa4 h GLN 91 CO -0.00 -0.02 -0.25 1.33 -0.67 0.00 0.00 178.83 179.21 2qa4 n VAL 92 N -5.08 0.00 0.00 -0.54 0.24 0.57 -5.00 118.33 108.52 2qa4 n VAL 92 Ca -0.09 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2qa4 n VAL 92 Cb 0.26 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 2qa4 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qa4 n GLY 93 N 1.36 0.20 3.61 7.63 0.00 -0.78 -3.64 105.19 113.57 2qa4 n GLY 93 Ca 0.12 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 2qa4 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qa4 s GLU 94 N 2.03 0.62 -0.21 1.61 2.12 -1.19 -4.66 118.70 119.03 2qa4 s GLU 94 Ca 0.00 0.53 -0.02 0.00 0.36 0.00 0.00 54.97 55.84 2qa4 s GLU 94 Cb 0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2qa4 s GLU 94 CO 0.00 -0.12 -0.09 0.00 -0.54 0.00 0.00 175.26 174.52 2qa4 s ALA 95 N -0.17 2.68 0.05 6.30 0.00 -1.26 -0.95 121.76 128.40 2qa4 s ALA 95 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2qa4 s ALA 95 Cb -0.04 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2qa4 s ALA 95 CO -0.02 -0.42 -0.19 0.08 0.00 0.00 0.00 175.76 175.21 2qa4 s VAL 96 N 1.42 1.50 0.29 0.00 1.01 0.30 -4.98 120.40 119.95 2qa4 s VAL 96 Ca 0.05 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 2qa4 s VAL 96 Cb -0.14 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 2qa4 s VAL 96 CO -0.06 0.11 1.30 -0.94 0.00 0.00 0.00 175.10 175.51 2qa4 s SER 97 N -1.26 6.84 0.62 3.32 1.04 -1.26 -3.24 113.70 119.76 2qa4 s SER 97 Ca 0.05 2.59 0.33 0.00 0.48 0.00 0.00 55.95 59.41 2qa4 s SER 97 Cb -0.09 -2.64 1.88 0.00 0.10 0.00 0.00 66.02 65.28 2qa4 s SER 97 CO 0.02 -0.50 2.17 0.25 0.98 0.00 0.00 173.24 176.16 2qa4 h LEU 98 N 3.93 0.00 -1.18 2.42 5.85 -1.85 0.21 115.31 124.69 2qa4 h LEU 98 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2qa4 h LEU 98 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2qa4 h LEU 98 CO 0.69 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 178.46 2qa4 h GLU 99 N 0.00 0.00 0.04 1.25 5.08 -1.89 -2.89 114.58 116.18 2qa4 h GLU 99 Ca 0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.05 2qa4 h GLU 99 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2qa4 h GLU 99 CO -0.00 0.00 -1.94 1.04 -1.00 0.00 0.00 179.01 177.11 2qa4 n GLN 100 N -3.01 0.65 -0.35 2.33 6.02 0.70 -3.71 117.38 120.02 2qa4 n GLN 100 Ca 0.01 0.35 0.16 0.00 -0.01 0.00 0.00 57.00 57.51 2qa4 n GLN 100 Cb 0.33 -1.65 0.37 0.00 1.02 0.00 0.00 30.24 30.31 2qa4 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qa4 h ALA 101 N -0.32 1.77 -0.29 -1.58 0.00 -1.47 0.76 119.26 118.13 2qa4 h ALA 101 Ca -0.48 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2qa4 h ALA 101 Cb 1.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2qa4 h ALA 101 CO -0.13 -0.21 0.18 0.82 0.00 0.00 0.00 179.25 179.90 2qa4 h ILE 102 N 0.63 1.05 0.00 0.00 2.04 -1.67 0.69 117.51 120.25 2qa4 h ILE 102 Ca 0.62 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 66.31 2qa4 h ILE 102 Cb 1.13 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2qa4 h ILE 102 CO -0.44 0.07 -0.23 -0.08 0.00 0.00 0.00 178.15 177.46 2qa4 h GLU 103 N 0.36 0.00 0.00 2.37 4.81 0.15 -1.94 114.58 120.33 2qa4 h GLU 103 Ca 0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.03 2qa4 h GLU 103 Cb -0.02 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 2qa4 h GLU 103 CO -0.04 0.23 -1.88 0.09 -0.73 0.00 0.00 179.01 176.68 2qa4 n ASN 104 N -3.41 0.68 -3.19 1.04 3.02 0.17 -4.60 115.26 108.97 2qa4 n ASN 104 Ca 0.00 0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2qa4 n ASN 104 Cb 0.43 0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.73 2qa4 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qa4 n ASN 105 N -2.98 1.18 0.31 6.41 2.85 0.23 -4.95 115.26 118.31 2qa4 n ASN 105 Ca -0.21 -2.98 0.19 0.00 -0.11 0.00 0.00 54.58 51.47 2qa4 n ASN 105 Cb 1.08 -0.63 1.01 0.00 1.24 0.00 0.00 39.78 42.48 2qa4 n ASN 105 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qa4 h PRO 106 N 3.53 0.00 0.00 1.20 0.13 -1.52 -1.27 132.00 134.07 2qa4 h PRO 106 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qa4 h PRO 106 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2qa4 h PRO 106 CO 0.55 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.18 2qa4 h GLU 107 N 0.00 0.00 -5.17 0.86 3.07 -1.92 -3.38 114.58 108.03 2qa4 h GLU 107 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 2qa4 h GLU 107 Cb 0.17 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 28.25 2qa4 h GLU 107 CO 0.00 0.00 -0.75 0.41 -1.40 0.00 0.00 179.01 177.27 2qa4 n GLY 108 N 1.14 -0.88 3.40 -3.84 0.00 -0.48 -3.78 105.19 100.75 2qa4 n GLY 108 Ca 0.04 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 2qa4 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qa4 s SER 109 N -3.41 3.57 -1.01 1.61 1.04 -1.26 -4.74 113.70 109.50 2qa4 s SER 109 Ca 0.38 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 2qa4 s SER 109 Cb -0.05 -0.60 -0.06 0.00 0.10 0.00 0.00 66.02 65.41 2qa4 s SER 109 CO 0.65 0.33 0.88 1.41 0.98 0.00 0.00 173.24 177.49 2qa4 n HIS 110 N 2.32 -2.49 -3.91 5.02 8.25 -1.26 -4.89 115.22 118.26 2qa4 n HIS 110 Ca -0.17 0.87 -0.15 0.00 -0.26 0.00 0.00 57.72 58.01 2qa4 n HIS 110 Cb 0.52 -4.07 -0.15 0.00 1.12 0.00 0.00 29.99 27.40 2qa4 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qa4 s VAL 111 N -3.34 0.09 -0.14 1.59 0.11 -1.26 -2.71 120.40 114.73 2qa4 s VAL 111 Ca 0.40 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.44 2qa4 s VAL 111 Cb -0.06 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2qa4 s VAL 111 CO 0.75 0.08 0.03 -0.60 -3.33 0.00 0.00 175.10 172.02 2qa4 s ARG 112 N 0.51 3.59 -0.25 1.54 6.06 -0.38 -4.98 118.95 125.03 2qa4 s ARG 112 Ca -0.05 -0.39 -0.08 0.00 -2.50 0.00 0.00 55.73 52.71 2qa4 s ARG 112 Cb -0.07 -3.02 -0.03 0.00 0.06 0.00 0.00 34.95 31.89 2qa4 s ARG 112 CO -0.01 0.42 0.09 0.08 -2.50 0.00 0.00 175.30 173.39 2qa4 s VAL 113 N -0.08 4.56 0.11 7.11 1.01 -1.26 -0.10 120.40 131.75 2qa4 s VAL 113 Ca 0.05 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2qa4 s VAL 113 Cb -0.12 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2qa4 s VAL 113 CO 0.02 0.33 -0.25 -0.63 0.00 0.00 0.00 175.10 174.57 2qa4 s ILE 114 N 1.54 2.04 0.00 2.22 -1.09 -0.64 -4.98 121.20 120.29 2qa4 s ILE 114 Ca 0.06 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.83 2qa4 s ILE 114 Cb -0.15 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 2qa4 s ILE 114 CO 0.05 0.05 0.00 -2.11 -1.23 0.00 0.00 174.94 171.70