#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 h LEU 4 N 0.00 -0.20 -1.04 7.52 5.85 -2.05 0.11 115.31 125.50 2qq4 h LEU 4 Ca 0.00 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2qq4 h LEU 4 Cb 0.00 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2qq4 h LEU 4 CO 0.00 -0.08 0.14 0.44 -0.34 0.00 0.00 178.44 178.60 2qq4 h ASP 5 N 0.15 0.77 -0.41 1.25 5.19 -2.03 -1.14 116.42 120.20 2qq4 h ASP 5 Ca 0.32 -0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.47 2qq4 h ASP 5 Cb 0.52 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2qq4 h ASP 5 CO -0.50 0.75 -0.24 -0.33 -3.12 0.00 0.00 179.24 175.80 2qq4 h GLU 6 N 0.80 0.89 -0.25 3.56 5.08 -1.51 -2.60 114.58 120.55 2qq4 h GLU 6 Ca 0.18 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2qq4 h GLU 6 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2qq4 h GLU 6 CO -0.00 1.06 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.61 2qq4 h LEU 7 N 0.70 0.62 -0.37 1.33 3.38 -0.57 -2.31 115.31 118.10 2qq4 h LEU 7 Ca 0.09 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2qq4 h LEU 7 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qq4 h LEU 7 CO 0.07 0.94 -0.18 1.88 0.09 0.00 0.00 178.44 181.24 2qq4 h TYR 8 N 0.49 0.90 -0.56 1.13 0.05 -1.19 -0.72 116.97 117.07 2qq4 h TYR 8 Ca 0.04 -0.22 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2qq4 h TYR 8 Cb 0.89 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.38 2qq4 h TYR 8 CO 0.04 0.97 0.31 0.00 -1.05 0.00 0.00 178.16 178.42 2qq4 h ARG 9 N 0.58 0.58 -0.33 4.88 3.08 -1.40 -1.07 114.38 120.70 2qq4 h ARG 9 Ca 0.08 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2qq4 h ARG 9 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2qq4 h ARG 9 CO 0.06 0.39 -0.08 1.49 -1.07 0.00 0.00 179.97 180.76 2qq4 h GLU 10 N 0.60 0.54 -0.10 0.04 4.57 -1.22 -1.90 114.58 117.11 2qq4 h GLU 10 Ca 0.24 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2qq4 h GLU 10 Cb 0.10 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2qq4 h GLU 10 CO -0.14 0.62 0.00 0.82 -1.18 0.00 0.00 179.01 179.13 2qq4 h ILE 11 N 0.50 1.25 -0.84 2.32 2.04 -0.28 -1.14 117.51 121.36 2qq4 h ILE 11 Ca 0.10 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2qq4 h ILE 11 Cb 0.44 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 2qq4 h ILE 11 CO 0.02 0.23 0.55 -0.07 0.00 0.00 0.00 178.15 178.87 2qq4 h LEU 12 N -0.10 0.93 0.08 1.44 3.38 -1.04 -2.09 115.31 117.92 2qq4 h LEU 12 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qq4 h LEU 12 Cb 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qq4 h LEU 12 CO 0.00 0.65 -0.04 -0.07 0.09 0.00 0.00 178.44 179.08 2qq4 h LEU 13 N 1.09 -0.10 -0.99 1.67 3.38 -1.25 -1.51 115.31 117.61 2qq4 h LEU 13 Ca 0.32 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.26 2qq4 h LEU 13 Cb -0.06 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 2qq4 h LEU 13 CO -0.09 0.10 0.62 -0.78 0.09 0.00 0.00 178.44 178.38 2qq4 h ASP 14 N -0.29 0.90 0.97 -0.43 3.58 -1.01 0.16 116.42 120.30 2qq4 h ASP 14 Ca -0.01 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 2qq4 h ASP 14 Cb 0.25 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2qq4 h ASP 14 CO 0.02 0.47 -0.75 0.45 -2.88 0.00 0.00 179.24 176.55 2qq4 h HIS 15 N 0.97 0.00 -0.13 0.28 3.86 -1.30 0.14 115.15 118.97 2qq4 h HIS 15 Ca 0.50 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.49 2qq4 h HIS 15 Cb 0.51 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.99 2qq4 h HIS 15 CO -0.01 0.75 -0.78 -0.92 0.86 0.00 0.00 177.93 177.83 2qq4 h TYR 16 N 0.00 1.04 -0.05 2.45 3.20 -0.34 -2.27 116.97 121.00 2qq4 h TYR 16 Ca -0.01 -0.47 -0.15 0.00 3.14 0.00 0.00 58.73 61.24 2qq4 h TYR 16 Cb 1.44 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 39.56 2qq4 h TYR 16 CO 0.00 1.30 -0.54 1.96 -1.64 0.00 0.00 178.16 179.24 2qq4 h GLN 17 N 0.48 0.46 -2.12 1.82 1.08 -0.70 -3.39 115.11 112.73 2qq4 h GLN 17 Ca -0.06 -0.43 -0.58 0.00 -1.45 0.00 0.00 58.65 56.13 2qq4 h GLN 17 Cb 1.42 0.10 -0.41 0.00 -0.05 0.00 0.00 27.48 28.55 2qq4 h GLN 17 CO 0.16 1.07 -0.81 0.43 -0.95 0.00 0.00 178.83 178.73 2qq4 n SER 18 N -4.23 2.20 -4.70 1.46 7.64 0.49 -5.09 113.62 111.39 2qq4 n SER 18 Ca -0.09 -3.11 -0.43 0.00 1.01 0.00 0.00 58.87 56.25 2qq4 n SER 18 Cb 0.63 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2qq4 n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2qq4 n PRO 19 N 1.12 2.72 -1.89 1.43 -0.04 -0.85 -4.62 135.00 132.85 2qq4 n PRO 19 Ca 0.26 0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 64.39 2qq4 n PRO 19 Cb 0.46 -2.85 0.02 0.00 -0.04 0.00 0.00 33.50 31.09 2qq4 n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qq4 s ARG 20 N 1.92 3.28 -1.52 0.54 3.00 -1.26 -3.98 118.95 120.93 2qq4 s ARG 20 Ca 0.79 1.03 -0.17 0.00 0.00 0.00 0.00 55.73 57.39 2qq4 s ARG 20 Cb -0.51 -2.03 0.15 0.00 0.00 0.00 0.00 34.95 32.55 2qq4 s ARG 20 CO 0.35 -0.83 0.62 0.09 0.00 0.00 0.00 175.30 175.53 2qq4 n ASN 21 N -2.46 -2.86 -4.75 0.23 4.13 -1.26 -4.68 115.26 103.62 2qq4 n ASN 21 Ca 0.08 -0.81 -0.40 0.00 1.68 0.00 0.00 54.58 55.12 2qq4 n ASN 21 Cb 0.53 -2.39 -0.05 0.00 -1.54 0.00 0.00 39.78 36.34 2qq4 n ASN 21 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2qq4 s PHE 22 N -3.09 3.78 -4.04 3.10 5.36 -1.26 -1.62 117.98 120.21 2qq4 s PHE 22 Ca 0.64 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 2qq4 s PHE 22 Cb -0.35 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 2qq4 s PHE 22 CO 0.78 0.32 0.00 0.41 -1.46 0.00 0.00 175.22 175.27 2qq4 n GLY 23 N 2.19 0.60 3.03 13.12 0.00 0.01 -4.85 105.19 119.28 2qq4 n GLY 23 Ca -0.03 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 2qq4 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qq4 s VAL 24 N -4.00 0.53 -0.24 1.61 1.01 -1.26 -3.83 120.40 114.22 2qq4 s VAL 24 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2qq4 s VAL 24 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2qq4 s VAL 24 CO 0.00 -0.16 0.18 -0.76 0.00 0.00 0.00 175.10 174.37 2qq4 s LEU 25 N -0.97 4.10 0.03 3.92 1.43 -1.26 -5.01 118.68 120.91 2qq4 s LEU 25 Ca -0.04 0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 2qq4 s LEU 25 Cb -0.07 -2.14 -0.13 0.00 0.03 0.00 0.00 46.19 43.88 2qq4 s LEU 25 CO 0.00 0.04 1.26 1.55 0.23 0.00 0.00 176.35 179.42 2qq4 h PRO 26 N 7.64 -0.83 -2.63 1.29 0.13 -2.01 -3.29 132.00 132.30 2qq4 h PRO 26 Ca -0.37 0.06 -0.81 0.00 -0.87 0.00 0.00 66.00 64.01 2qq4 h PRO 26 Cb 1.17 0.19 -0.27 0.00 0.13 0.00 0.00 31.00 32.23 2qq4 h PRO 26 CO 0.64 -0.56 0.99 1.04 -0.23 0.00 0.00 178.00 179.89 2qq4 n GLN 27 N -4.52 4.90 -2.69 0.86 1.13 -1.26 -5.00 117.38 110.79 2qq4 n GLN 27 Ca -0.11 -4.54 -0.42 0.00 -1.94 0.00 0.00 57.00 50.00 2qq4 n GLN 27 Cb 0.34 -2.51 -0.04 0.00 0.11 0.00 0.00 30.24 28.15 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qq4 s ALA 28 N -3.33 3.21 0.13 -1.58 0.00 -1.24 -4.83 121.76 114.12 2qq4 s ALA 28 Ca 0.36 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 2qq4 s ALA 28 Cb 0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2qq4 s ALA 28 CO -0.01 -0.17 1.72 1.15 0.00 0.00 0.00 175.76 178.46 2qq4 h THR 29 N 4.49 1.15 -2.05 0.00 2.02 -1.17 -3.45 112.91 113.90 2qq4 h THR 29 Ca -0.42 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 2qq4 h THR 29 Cb 1.22 0.77 -0.21 0.00 -1.74 0.00 0.00 68.15 68.19 2qq4 h THR 29 CO 0.74 0.16 0.06 -0.75 0.37 0.00 0.00 175.52 176.10 2qq4 s LYS 30 N -5.79 0.76 0.34 6.66 2.20 -1.20 -5.05 119.74 117.67 2qq4 s LYS 30 Ca -0.13 1.06 0.08 0.00 -0.36 0.00 0.00 55.97 56.62 2qq4 s LYS 30 Cb 0.10 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2qq4 s LYS 30 CO 0.73 -0.12 0.14 -1.14 -0.36 0.00 0.00 175.35 174.60 2qq4 s GLN 31 N 0.85 2.36 -0.24 4.03 0.74 -1.26 -2.80 119.66 123.35 2qq4 s GLN 31 Ca -0.04 -1.56 -0.24 0.00 0.05 0.00 0.00 55.36 53.57 2qq4 s GLN 31 Cb -0.05 -2.16 0.07 0.00 1.10 0.00 0.00 33.01 31.96 2qq4 s GLN 31 CO -0.07 0.10 0.67 0.00 -0.55 0.00 0.00 175.29 175.44 2qq4 s ALA 32 N -2.43 -1.67 0.37 1.58 0.00 -0.43 -4.65 121.76 114.53 2qq4 s ALA 32 Ca 0.38 1.85 0.08 0.00 0.00 0.00 0.00 51.96 54.27 2qq4 s ALA 32 Cb -0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2qq4 s ALA 32 CO 0.23 -0.32 0.05 0.20 0.00 0.00 0.00 175.76 175.91 2qq4 s GLY 33 N 0.25 2.22 -0.06 0.00 0.00 -1.26 0.12 107.32 108.59 2qq4 s GLY 33 Ca -0.01 -2.07 -0.23 0.00 0.00 0.00 0.00 44.72 42.42 2qq4 s GLY 33 CO 0.02 -1.95 0.51 -0.32 0.00 0.00 0.00 173.10 171.36 2qq4 s GLY 34 N -3.76 -0.38 0.03 0.20 0.00 0.25 -4.78 107.32 98.88 2qq4 s GLY 34 Ca 0.36 0.94 0.02 0.00 0.00 0.00 0.00 44.72 46.04 2qq4 s GLY 34 CO 0.20 0.66 -0.07 1.06 0.00 0.00 0.00 173.10 174.95 2qq4 s MET 35 N -1.05 0.50 -0.14 2.90 -1.94 -1.26 0.03 119.30 118.35 2qq4 s MET 35 Ca -0.11 -0.60 -0.05 0.00 -1.71 0.00 0.00 55.69 53.22 2qq4 s MET 35 Cb -0.03 -0.33 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 2qq4 s MET 35 CO 0.06 0.07 0.04 1.21 -0.01 0.00 0.00 175.02 176.39 2qq4 s ASN 36 N -1.18 5.52 -0.06 3.03 2.47 0.33 -4.91 114.94 120.14 2qq4 s ASN 36 Ca -0.07 0.14 -0.20 0.00 0.42 0.00 0.00 52.86 53.15 2qq4 s ASN 36 Cb -0.08 -1.78 -0.31 0.00 -1.45 0.00 0.00 41.25 37.63 2qq4 s ASN 36 CO 0.00 0.28 0.82 1.55 -3.72 0.00 0.00 177.10 176.03 2qq4 h PRO 37 N 5.88 0.30 0.00 0.43 0.13 -1.96 -1.63 132.00 135.15 2qq4 h PRO 37 Ca -0.44 -0.50 -0.10 0.00 -0.87 0.00 0.00 66.00 64.08 2qq4 h PRO 37 Cb 1.19 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2qq4 h PRO 37 CO 0.62 1.24 -0.51 0.66 -0.23 0.00 0.00 178.00 179.79 2qq4 h SER 38 N -0.34 0.00 0.00 1.44 4.64 -1.96 -3.37 113.55 113.96 2qq4 h SER 38 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2qq4 h SER 38 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2qq4 h SER 38 CO 0.13 0.48 -0.84 0.00 -0.87 0.00 0.00 176.83 175.73 2qq4 n GLY 40 N 2.19 0.43 3.79 0.00 0.00 -0.61 -4.92 105.19 106.07 2qq4 n GLY 40 Ca 0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2qq4 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qq4 s ASP 41 N -2.96 7.25 -0.04 1.61 1.01 -1.25 -4.74 116.67 117.56 2qq4 s ASP 41 Ca 0.08 1.49 0.04 0.00 0.71 0.00 0.00 52.55 54.87 2qq4 s ASP 41 Cb -0.04 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.45 2qq4 s ASP 41 CO 0.10 0.23 -0.14 -1.58 0.21 0.00 0.00 175.17 173.99 2qq4 s GLN 42 N -1.07 1.55 0.09 8.23 0.74 -1.17 0.12 119.66 128.15 2qq4 s GLN 42 Ca 0.33 -0.50 -0.03 0.00 0.05 0.00 0.00 55.36 55.21 2qq4 s GLN 42 Cb -0.22 -1.36 -0.03 0.00 1.10 0.00 0.00 33.01 32.51 2qq4 s GLN 42 CO 0.23 0.18 0.06 0.08 -0.55 0.00 0.00 175.29 175.30 2qq4 s VAL 43 N 0.16 0.16 -0.19 1.34 1.01 0.10 -2.25 120.40 120.73 2qq4 s VAL 43 Ca -0.05 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.18 2qq4 s VAL 43 Cb -0.11 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.71 2qq4 s VAL 43 CO 0.02 -0.74 0.43 -1.83 0.00 0.00 0.00 175.10 172.98 2qq4 s GLU 44 N -3.94 0.37 -0.10 2.72 -1.05 -1.16 0.86 118.70 116.39 2qq4 s GLU 44 Ca 0.12 0.94 -0.01 0.00 -0.15 0.00 0.00 54.97 55.87 2qq4 s GLU 44 Cb 0.07 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 2qq4 s GLU 44 CO -0.06 -0.21 -0.06 0.08 0.95 0.00 0.00 175.26 175.95 2qq4 s VAL 45 N 2.08 3.71 -0.04 1.83 1.01 0.12 -2.45 120.40 126.66 2qq4 s VAL 45 Ca -0.05 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2qq4 s VAL 45 Cb -0.10 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2qq4 s VAL 45 CO -0.13 0.56 -0.21 -0.04 0.00 0.00 0.00 175.10 175.28 2qq4 s MET 46 N -0.40 2.01 0.06 2.72 -1.94 0.12 -1.31 119.30 120.55 2qq4 s MET 46 Ca 0.06 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 2qq4 s MET 46 Cb -0.12 -1.80 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 2qq4 s MET 46 CO 0.02 0.37 -0.10 0.14 -0.01 0.00 0.00 175.02 175.45 2qq4 s VAL 47 N -0.24 0.76 -0.24 -6.03 -7.23 -1.12 -0.75 120.40 105.55 2qq4 s VAL 47 Ca 0.01 -1.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2qq4 s VAL 47 Cb -0.11 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 36.02 2qq4 s VAL 47 CO 0.01 -0.35 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.18 2qq4 s LEU 48 N -1.71 3.04 -0.13 1.32 2.96 0.18 -0.50 118.68 123.83 2qq4 s LEU 48 Ca -0.06 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2qq4 s LEU 48 Cb -0.09 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2qq4 s LEU 48 CO 0.01 -0.08 0.00 -0.76 -1.32 0.00 0.00 176.35 174.20 2qq4 s LEU 49 N 1.39 3.54 -0.47 -0.68 1.43 -1.26 -0.03 118.68 122.60 2qq4 s LEU 49 Ca 0.03 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2qq4 s LEU 49 Cb -0.15 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.34 2qq4 s LEU 49 CO -0.04 0.26 0.21 -1.61 0.23 0.00 0.00 176.35 175.39 2qq4 s GLU 50 N -0.17 1.86 6.78 1.70 2.02 -0.55 -4.90 118.70 125.44 2qq4 s GLU 50 Ca 0.05 -2.38 0.00 0.00 0.02 0.00 0.00 54.97 52.66 2qq4 s GLU 50 Cb -0.13 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2qq4 s GLU 50 CO 0.02 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.65 2qq4 n GLY 51 N 3.49 1.82 0.57 -1.39 0.00 -1.26 -2.79 105.19 105.64 2qq4 n GLY 51 Ca 0.05 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.54 2qq4 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qq4 n ASP 52 N 7.65 1.93 -4.51 1.61 5.75 -1.26 -4.99 116.55 122.73 2qq4 n ASP 52 Ca 0.00 -3.74 -0.34 0.00 -0.01 0.00 0.00 54.79 50.70 2qq4 n ASP 52 Cb 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.44 2qq4 n ASP 52 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qq4 s THR 53 N -3.17 3.64 -1.04 2.12 2.01 -1.12 -0.34 115.64 117.73 2qq4 s THR 53 Ca 0.38 -0.47 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 2qq4 s THR 53 Cb 0.36 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 70.38 2qq4 s THR 53 CO -0.04 0.55 1.54 -0.63 -0.69 0.00 0.00 174.62 175.35 2qq4 s ILE 54 N -0.17 3.89 0.23 1.82 1.01 0.08 -1.49 121.20 126.58 2qq4 s ILE 54 Ca 0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 2qq4 s ILE 54 Cb -0.13 -4.96 0.20 0.00 0.01 0.00 0.00 42.46 37.58 2qq4 s ILE 54 CO 0.03 -1.83 1.88 0.00 0.00 0.00 0.00 174.94 175.01 2qq4 h ALA 55 N 9.68 1.12 -2.61 9.38 0.00 -0.75 0.70 119.26 136.78 2qq4 h ALA 55 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qq4 h ALA 55 Cb 0.99 -0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.34 2qq4 h ALA 55 CO 1.41 0.38 0.00 0.34 0.00 0.00 0.00 179.25 181.38 2qq4 s ASP 56 N -5.87 -0.38 0.02 0.00 2.15 -1.04 -4.37 116.67 107.18 2qq4 s ASP 56 Ca -0.13 0.02 -0.15 0.00 0.43 0.00 0.00 52.55 52.72 2qq4 s ASP 56 Cb 0.17 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 43.30 2qq4 s ASP 56 CO 0.79 -0.76 0.32 -0.51 -0.17 0.00 0.00 175.17 174.84 2qq4 s ILE 57 N -2.87 0.07 0.04 4.11 2.07 -1.26 0.50 121.20 123.86 2qq4 s ILE 57 Ca -0.03 -0.57 -0.17 0.00 -1.41 0.00 0.00 60.65 58.47 2qq4 s ILE 57 Cb -0.00 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.81 2qq4 s ILE 57 CO -0.05 -0.32 0.37 -0.13 -1.91 0.00 0.00 174.94 172.90 2qq4 s ARG 58 N -2.03 0.86 0.02 3.50 1.81 0.07 -4.85 118.95 118.33 2qq4 s ARG 58 Ca -0.09 -0.39 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 2qq4 s ARG 58 Cb -0.03 0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 34.84 2qq4 s ARG 58 CO 0.00 -0.29 0.01 -0.59 -0.68 0.00 0.00 175.30 173.75 2qq4 s PHE 59 N -2.38 0.25 0.08 -0.53 -0.71 -0.64 -0.71 117.98 113.34 2qq4 s PHE 59 Ca -0.06 -0.52 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 2qq4 s PHE 59 Cb -0.01 -0.18 -0.00 0.00 -1.21 0.00 0.00 43.02 41.61 2qq4 s PHE 59 CO -0.02 -0.24 0.11 0.00 -1.34 0.00 0.00 175.22 173.73 2qq4 n GLN 60 N 1.34 0.15 0.00 1.99 10.64 -1.03 -0.81 117.38 129.67 2qq4 n GLN 60 Ca -0.22 -0.72 0.00 0.00 -1.83 0.00 0.00 57.00 54.23 2qq4 n GLN 60 Cb 0.56 0.66 0.00 0.00 -0.86 0.00 0.00 30.24 30.60 2qq4 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qq4 n GLY 61 N -0.14 -2.57 3.60 2.61 0.00 -1.26 -2.98 105.19 104.44 2qq4 n GLY 61 Ca 0.01 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 2qq4 n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qq4 s GLN 62 N -0.37 1.00 0.00 1.61 0.74 -0.96 -4.98 119.66 116.70 2qq4 s GLN 62 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2qq4 s GLN 62 Cb 0.00 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.51 2qq4 s GLN 62 CO 0.00 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 2qq4 n GLY 63 N -0.34 2.02 3.70 2.59 0.00 -1.26 -3.03 105.19 108.87 2qq4 n GLY 63 Ca -0.08 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2qq4 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 h ALA 65 N -1.98 1.10 -0.01 0.00 0.00 -2.00 -2.94 119.26 113.43 2qq4 h ALA 65 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2qq4 h ALA 65 Cb 1.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qq4 h ALA 65 CO 0.50 0.60 0.00 0.82 0.00 0.00 0.00 179.25 181.18 2qq4 h ILE 66 N 0.92 1.01 -0.59 0.00 2.04 -1.92 -0.98 117.51 117.98 2qq4 h ILE 66 Ca 0.20 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2qq4 h ILE 66 Cb 0.33 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2qq4 h ILE 66 CO 0.00 0.01 0.37 0.77 0.00 0.00 0.00 178.15 179.30 2qq4 h SER 67 N -0.00 0.69 -0.12 1.72 4.64 -1.56 0.89 113.55 119.81 2qq4 h SER 67 Ca 0.00 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2qq4 h SER 67 Cb 0.01 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2qq4 h SER 67 CO -0.00 0.52 -0.17 0.74 -0.87 0.00 0.00 176.83 177.05 2qq4 h THR 68 N 0.81 1.37 -0.59 2.95 2.02 -1.32 -1.01 112.91 117.13 2qq4 h THR 68 Ca 0.22 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 2qq4 h THR 68 Cb -0.06 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2qq4 h THR 68 CO -0.04 0.40 0.19 0.00 0.37 0.00 0.00 175.52 176.44 2qq4 h ALA 69 N 0.55 0.78 -0.58 6.16 0.00 -0.91 -1.21 119.26 124.05 2qq4 h ALA 69 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2qq4 h ALA 69 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qq4 h ALA 69 CO 0.04 0.44 0.08 1.03 0.00 0.00 0.00 179.25 180.83 2qq4 h SER 70 N 0.84 0.91 -0.51 0.00 0.87 -0.83 -0.83 113.55 113.99 2qq4 h SER 70 Ca 0.19 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2qq4 h SER 70 Cb 0.28 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2qq4 h SER 70 CO -0.01 0.92 -0.09 0.00 -0.53 0.00 0.00 176.83 177.13 2qq4 h ALA 71 N 1.19 0.70 0.10 6.23 0.00 -0.86 -1.25 119.26 125.37 2qq4 h ALA 71 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qq4 h ALA 71 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qq4 h ALA 71 CO 0.01 0.59 -0.05 1.03 0.00 0.00 0.00 179.25 180.84 2qq4 h SER 72 N 0.83 -0.12 -0.84 0.00 0.87 -0.99 -1.92 113.55 111.39 2qq4 h SER 72 Ca 0.13 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2qq4 h SER 72 Cb 0.64 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 2qq4 h SER 72 CO 0.04 0.09 0.55 -0.07 -0.53 0.00 0.00 176.83 176.92 2qq4 h LEU 73 N -0.33 0.85 0.16 2.23 3.38 -1.12 -2.11 115.31 118.37 2qq4 h LEU 73 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qq4 h LEU 73 Cb 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qq4 h LEU 73 CO 0.02 0.56 -0.08 -0.03 0.09 0.00 0.00 178.44 179.01 2qq4 h MET 74 N 0.97 -0.21 -0.79 1.13 4.05 -0.99 -1.80 114.93 117.29 2qq4 h MET 74 Ca 0.35 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2qq4 h MET 74 Cb 0.14 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 2qq4 h MET 74 CO -0.12 0.04 0.45 1.79 0.23 0.00 0.00 176.91 179.31 2qq4 h THR 75 N -0.44 1.23 -0.57 -0.77 1.35 -1.19 -2.25 112.91 110.26 2qq4 h THR 75 Ca -0.02 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 2qq4 h THR 75 Cb 0.34 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.87 2qq4 h THR 75 CO 0.04 0.24 0.31 -0.08 -0.25 0.00 0.00 175.52 175.78 2qq4 h GLU 76 N 1.10 0.80 -0.01 4.72 4.81 -1.27 -1.66 114.58 123.07 2qq4 h GLU 76 Ca 0.28 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2qq4 h GLU 76 Cb -0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2qq4 h GLU 76 CO -0.05 0.61 -0.51 0.00 -0.73 0.00 0.00 179.01 178.33 2qq4 h ALA 77 N 1.14 1.15 0.00 2.92 0.00 -0.86 -3.32 119.26 120.29 2qq4 h ALA 77 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qq4 h ALA 77 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qq4 h ALA 77 CO -0.03 0.64 -1.46 1.33 0.00 0.00 0.00 179.25 179.73 2qq4 n VAL 78 N -3.93 0.00 -1.69 0.00 0.24 -0.89 -4.84 118.33 107.22 2qq4 n VAL 78 Ca -0.01 -0.26 -0.45 0.00 -2.04 0.00 0.00 64.34 61.57 2qq4 n VAL 78 Cb 0.53 0.49 -0.04 0.00 -1.47 0.00 0.00 33.84 33.34 2qq4 n VAL 78 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qq4 n LYS 79 N -1.86 2.40 0.00 7.34 4.81 -0.63 -0.91 118.16 129.31 2qq4 n LYS 79 Ca -0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2qq4 n LYS 79 Cb 0.42 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2qq4 n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qq4 n GLY 80 N 3.76 2.57 3.90 3.14 0.00 0.25 -5.02 105.19 113.79 2qq4 n GLY 80 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2qq4 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qq4 s LYS 81 N -0.16 3.21 0.49 1.61 -0.14 -0.09 -4.61 119.74 120.05 2qq4 s LYS 81 Ca 0.00 0.24 -0.22 0.00 -1.36 0.00 0.00 55.97 54.63 2qq4 s LYS 81 Cb 0.00 -2.24 -0.07 0.00 -1.68 0.00 0.00 37.83 33.85 2qq4 s LYS 81 CO 0.00 -0.58 1.16 0.15 -0.76 0.00 0.00 175.35 175.33 2qq4 s LYS 82 N -5.00 3.58 0.28 1.68 -0.14 -1.26 -0.74 119.74 118.14 2qq4 s LYS 82 Ca 0.53 1.75 0.01 0.00 -1.36 0.00 0.00 55.97 56.90 2qq4 s LYS 82 Cb -0.11 -2.26 0.56 0.00 -1.68 0.00 0.00 37.83 34.34 2qq4 s LYS 82 CO 0.47 -0.69 1.83 0.28 -0.76 0.00 0.00 175.35 176.48 2qq4 h VAL 83 N 1.62 0.90 -0.68 3.17 2.07 -1.03 0.69 116.25 122.98 2qq4 h VAL 83 Ca -0.50 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2qq4 h VAL 83 Cb 1.26 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2qq4 h VAL 83 CO 0.59 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.66 2qq4 h ALA 84 N 1.54 1.26 -0.39 1.67 0.00 -1.91 -1.99 119.26 119.43 2qq4 h ALA 84 Ca 0.50 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2qq4 h ALA 84 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qq4 h ALA 84 CO -0.27 0.56 -0.00 0.93 0.00 0.00 0.00 179.25 180.46 2qq4 h GLU 85 N 0.97 0.69 -0.92 0.00 5.08 -1.29 -1.10 114.58 118.01 2qq4 h GLU 85 Ca 0.23 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2qq4 h GLU 85 Cb 0.13 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2qq4 h GLU 85 CO -0.03 0.79 0.57 0.00 -1.00 0.00 0.00 179.01 179.35 2qq4 h ALA 86 N 0.88 1.30 -0.32 3.43 0.00 -0.66 0.28 119.26 124.17 2qq4 h ALA 86 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 86 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qq4 h ALA 86 CO 0.02 0.28 -0.31 -0.07 0.00 0.00 0.00 179.25 179.17 2qq4 h LEU 87 N 1.00 0.72 -0.43 0.00 3.38 -1.12 -1.11 115.31 117.74 2qq4 h LEU 87 Ca 0.42 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2qq4 h LEU 87 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2qq4 h LEU 87 CO -0.20 0.98 0.19 -0.33 0.09 0.00 0.00 178.44 179.16 2qq4 h GLU 88 N 0.59 0.63 -0.59 1.13 4.39 0.05 -1.56 114.58 119.22 2qq4 h GLU 88 Ca 0.07 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2qq4 h GLU 88 Cb 0.82 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2qq4 h GLU 88 CO 0.07 0.57 0.05 -0.07 -1.16 0.00 0.00 179.01 178.47 2qq4 h LEU 89 N 0.55 0.95 -0.26 1.33 3.38 -0.84 -2.41 115.31 118.01 2qq4 h LEU 89 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qq4 h LEU 89 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qq4 h LEU 89 CO -0.01 0.98 0.16 -1.28 0.09 0.00 0.00 178.44 178.38 2qq4 h SER 90 N 0.92 0.30 -0.33 -0.43 0.87 -0.90 0.12 113.55 114.11 2qq4 h SER 90 Ca 0.18 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2qq4 h SER 90 Cb 0.47 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2qq4 h SER 90 CO 0.02 0.25 0.19 -0.09 -0.53 0.00 0.00 176.83 176.67 2qq4 h ARG 91 N 0.33 0.45 -0.66 2.24 2.43 -1.17 -0.51 114.38 117.48 2qq4 h ARG 91 Ca 0.09 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2qq4 h ARG 91 Cb -0.01 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2qq4 h ARG 91 CO -0.02 0.35 0.41 0.87 -1.51 0.00 0.00 179.97 180.07 2qq4 h LYS 92 N 0.42 0.77 -0.11 0.20 1.57 -1.20 0.85 116.57 119.06 2qq4 h LYS 92 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2qq4 h LYS 92 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2qq4 h LYS 92 CO -0.02 0.51 0.05 0.35 -0.57 0.00 0.00 179.45 179.77 2qq4 h PHE 93 N 0.79 0.17 -0.25 -1.35 3.57 -0.36 -2.25 116.94 117.26 2qq4 h PHE 93 Ca 0.27 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2qq4 h PHE 93 Cb 0.04 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2qq4 h PHE 93 CO -0.05 0.24 -0.20 1.96 -2.23 0.00 0.00 178.31 178.02 2qq4 h GLN 94 N 0.05 0.45 -0.83 1.11 4.20 -0.82 -0.62 115.11 118.65 2qq4 h GLN 94 Ca 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2qq4 h GLN 94 Cb 0.14 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2qq4 h GLN 94 CO -0.00 0.63 0.47 0.00 -0.67 0.00 0.00 178.83 179.25 2qq4 h ALA 95 N 1.38 1.06 0.04 3.87 0.00 -0.70 0.60 119.26 125.51 2qq4 h ALA 95 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qq4 h ALA 95 Cb 0.59 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qq4 h ALA 95 CO 0.04 0.55 -0.02 1.98 0.00 0.00 0.00 179.25 181.81 2qq4 h MET 96 N 1.14 -0.05 0.11 0.00 1.85 -0.80 -2.65 114.93 114.55 2qq4 h MET 96 Ca 0.29 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 59.21 2qq4 h MET 96 Cb 0.01 0.01 0.02 0.00 0.43 0.00 0.00 31.60 32.07 2qq4 h MET 96 CO -0.05 0.32 -0.77 0.28 -0.40 0.00 0.00 176.91 176.30 2qq4 h VAL 97 N -0.42 1.50 0.11 -5.77 2.07 -0.96 -3.39 116.25 109.39 2qq4 h VAL 97 Ca -0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 2qq4 h VAL 97 Cb 0.39 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2qq4 h VAL 97 CO 0.01 0.70 -0.05 0.58 0.02 0.00 0.00 177.57 178.82 2qq4 h VAL 98 N -0.33 0.96 -2.58 2.57 2.07 0.06 -3.36 116.25 115.64 2qq4 h VAL 98 Ca -0.13 -1.31 -0.46 0.00 0.82 0.00 0.00 66.70 65.62 2qq4 h VAL 98 Cb 1.57 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2qq4 h VAL 98 CO 0.14 0.27 -0.22 -1.61 0.02 0.00 0.00 177.57 176.17 2qq4 s GLU 99 N -3.14 3.34 0.00 1.57 2.02 -1.00 -4.97 118.70 116.52 2qq4 s GLU 99 Ca -0.13 -0.51 0.15 0.00 0.02 0.00 0.00 54.97 54.50 2qq4 s GLU 99 Cb -0.00 -2.69 0.89 0.00 0.10 0.00 0.00 34.13 32.43 2qq4 s GLU 99 CO 0.48 0.09 1.55 0.41 0.02 0.00 0.00 175.26 177.81 2qq4 n GLY 100 N -1.78 -0.97 2.75 -1.39 0.00 -1.26 -4.26 105.19 98.29 2qq4 n GLY 100 Ca -0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2qq4 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 n ALA 101 N -0.74 -2.65 -1.75 4.61 0.00 -1.21 -4.77 120.51 113.99 2qq4 n ALA 101 Ca 0.11 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2qq4 n ALA 101 Cb 0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2qq4 n ALA 101 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2qq4 s PRO 102 N -0.58 4.15 -0.02 0.00 0.02 -1.26 -4.52 135.00 132.79 2qq4 s PRO 102 Ca 0.57 2.51 -0.39 0.00 0.02 0.00 0.00 61.00 63.72 2qq4 s PRO 102 Cb -0.82 -4.10 -0.18 0.00 0.02 0.00 0.00 34.50 29.43 2qq4 s PRO 102 CO 0.45 -0.92 1.35 -2.30 -0.33 0.00 0.00 177.00 175.25 2qq4 n PRO 103 N 7.36 0.81 -2.35 5.54 -0.02 -1.26 -4.90 135.00 140.18 2qq4 n PRO 103 Ca 0.19 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2qq4 n PRO 103 Cb 0.41 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2qq4 n PRO 103 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qq4 s ASP 104 N 0.95 6.91 0.65 2.55 -1.08 -1.26 -4.90 116.67 120.49 2qq4 s ASP 104 Ca 0.89 1.83 0.34 0.00 -0.52 0.00 0.00 52.55 55.09 2qq4 s ASP 104 Cb -1.08 -2.54 1.86 0.00 -1.46 0.00 0.00 42.92 39.71 2qq4 s ASP 104 CO 0.54 -0.76 2.09 1.55 0.52 0.00 0.00 175.17 179.11 2qq4 h PRO 105 N 8.27 0.00 0.00 4.34 0.13 -1.99 -1.03 132.00 141.72 2qq4 h PRO 105 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2qq4 h PRO 105 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2qq4 h PRO 105 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 2qq4 n THR 106 N -3.20 0.00 0.30 1.56 -2.24 -1.26 -3.05 114.28 106.38 2qq4 n THR 106 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 2qq4 n THR 106 Cb 0.29 -0.43 0.45 0.00 -2.10 0.00 0.00 70.33 68.54 2qq4 n THR 106 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2qq4 h LEU 107 N 0.00 0.00 0.00 3.22 3.38 -1.58 -3.48 115.31 116.85 2qq4 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 107 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qq4 h LEU 107 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qq4 n GLY 108 N 0.55 3.19 0.29 0.83 0.00 -1.17 -1.93 105.19 106.95 2qq4 n GLY 108 Ca 0.02 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.08 2qq4 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qq4 h ASP 109 N 2.39 0.00 0.49 1.61 3.32 -1.94 -0.22 116.42 122.07 2qq4 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qq4 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qq4 h ASP 109 CO 0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 2qq4 h LEU 110 N 0.00 0.00 -1.15 1.55 3.38 -1.77 -1.84 115.31 115.49 2qq4 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qq4 h LEU 110 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2qq4 n LEU 111 N -2.73 0.63 0.30 1.67 4.77 -0.10 -2.01 117.00 119.53 2qq4 n LEU 111 Ca -0.00 0.73 0.19 0.00 -0.03 0.00 0.00 56.01 56.89 2qq4 n LEU 111 Cb 0.17 -0.73 0.85 0.00 -2.33 0.00 0.00 43.42 41.39 2qq4 n LEU 111 CO 0.20 -0.79 1.05 0.00 -1.33 0.00 0.00 177.39 176.52 2qq4 h ALA 112 N 2.11 1.01 -0.42 -1.18 0.00 -1.55 -1.99 119.26 117.25 2qq4 h ALA 112 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 112 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qq4 h ALA 112 CO 0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2qq4 n LEU 113 N -3.12 2.97 -0.10 0.00 4.77 -0.85 -4.30 117.00 116.37 2qq4 n LEU 113 Ca -0.01 -1.49 0.04 0.00 -0.03 0.00 0.00 56.01 54.52 2qq4 n LEU 113 Cb 0.23 -0.42 0.37 0.00 -2.33 0.00 0.00 43.42 41.28 2qq4 n LEU 113 CO 0.25 0.56 1.20 -0.61 -1.33 0.00 0.00 177.39 177.46 2qq4 h GLN 114 N 2.57 0.68 0.00 3.23 4.15 -1.54 -2.31 115.11 121.89 2qq4 h GLN 114 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2qq4 h GLN 114 Cb 0.90 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 2qq4 h GLN 114 CO 0.11 0.45 -0.00 0.78 -1.93 0.00 0.00 178.83 178.24 2qq4 h GLY 115 N 0.70 0.00 2.00 2.39 0.00 -1.83 -2.17 103.07 104.15 2qq4 h GLY 115 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2qq4 h GLY 115 CO -0.06 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.32 2qq4 h VAL 116 N 0.00 0.25 -0.52 4.60 2.07 -1.75 -2.77 116.25 118.12 2qq4 h VAL 116 Ca -0.00 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2qq4 h VAL 116 Cb 0.03 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2qq4 h VAL 116 CO 0.00 0.08 0.35 0.00 0.02 0.00 0.00 177.57 178.02 2qq4 h ALA 117 N 1.92 2.01 -0.87 1.67 0.00 -1.55 -0.45 119.26 121.99 2qq4 h ALA 117 Ca -0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 2qq4 h ALA 117 Cb 0.49 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.94 2qq4 h ALA 117 CO 0.01 -0.12 0.67 1.63 0.00 0.00 0.00 179.25 181.44 2qq4 n LYS 118 N -4.47 2.28 -3.05 0.00 4.01 -1.05 -4.55 118.16 111.33 2qq4 n LYS 118 Ca 0.08 -2.74 -0.18 0.00 -0.51 0.00 0.00 58.31 54.96 2qq4 n LYS 118 Cb 0.33 -2.07 -0.03 0.00 -0.51 0.00 0.00 35.03 32.74 2qq4 n LYS 118 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2qq4 n LEU 119 N -0.78 -1.08 -4.52 -0.35 4.77 -0.18 -5.14 117.00 109.73 2qq4 n LEU 119 Ca 0.54 -4.12 -0.30 0.00 -0.03 0.00 0.00 56.01 52.10 2qq4 n LEU 119 Cb 1.09 0.70 0.21 0.00 -2.33 0.00 0.00 43.42 43.10 2qq4 n LEU 119 CO 0.61 2.02 0.45 -0.81 -1.33 0.00 0.00 177.39 178.33 2qq4 n PRO 120 N 1.72 -1.57 -0.30 3.23 -0.04 -1.26 -1.41 135.00 135.37 2qq4 n PRO 120 Ca 0.18 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2qq4 n PRO 120 Cb 0.56 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2qq4 n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qq4 n ALA 121 N -4.61 0.00 -0.20 0.55 0.00 -1.26 -4.52 120.51 110.47 2qq4 n ALA 121 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2qq4 n ALA 121 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2qq4 n ALA 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qq4 n ARG 122 N -2.00 1.42 0.01 0.00 3.00 -0.50 -4.66 116.66 113.93 2qq4 n ARG 122 Ca 0.00 -0.21 -0.14 0.00 -0.00 0.00 0.00 57.85 57.50 2qq4 n ARG 122 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.78 2qq4 n ARG 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qq4 h VAL 123 N 0.20 1.32 0.00 5.15 2.07 -1.74 -2.94 116.25 120.30 2qq4 h VAL 123 Ca 0.00 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 2qq4 h VAL 123 Cb 0.10 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2qq4 h VAL 123 CO 0.00 0.63 -0.05 0.11 0.02 0.00 0.00 177.57 178.28 2qq4 h LYS 124 N 0.44 0.00 -0.09 1.57 1.57 -1.90 -1.36 116.57 116.80 2qq4 h LYS 124 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 2qq4 h LYS 124 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2qq4 h LYS 124 CO 0.15 0.05 -0.64 0.00 -0.57 0.00 0.00 179.45 178.44 2qq4 h ALA 126 N 1.07 -0.14 0.00 0.00 0.00 -1.34 -3.24 119.26 115.61 2qq4 h ALA 126 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2qq4 h ALA 126 Cb 1.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qq4 h ALA 126 CO 0.11 0.67 -0.23 0.25 0.00 0.00 0.00 179.25 180.04 2qq4 n THR 127 N -3.77 0.41 -0.13 0.00 -2.24 -0.59 -4.24 114.28 103.72 2qq4 n THR 127 Ca -0.17 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 2qq4 n THR 127 Cb 1.07 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2qq4 n THR 127 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qq4 h LEU 128 N 0.00 -0.66 -1.26 3.22 5.85 -1.56 -0.75 115.31 120.15 2qq4 h LEU 128 Ca 0.00 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2qq4 h LEU 128 Cb 0.70 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2qq4 h LEU 128 CO 0.00 -0.22 0.26 0.00 -0.34 0.00 0.00 178.44 178.13 2qq4 h ALA 129 N 1.20 1.43 -0.25 1.25 0.00 -1.83 -2.28 119.26 118.78 2qq4 h ALA 129 Ca 0.21 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2qq4 h ALA 129 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qq4 h ALA 129 CO -0.50 0.45 -0.51 -1.49 0.00 0.00 0.00 179.25 177.21 2qq4 h TRP 130 N 0.77 0.86 -0.55 0.00 4.06 -1.51 -1.83 115.95 117.75 2qq4 h TRP 130 Ca 0.19 -0.29 -0.08 0.00 2.06 0.00 0.00 58.89 60.77 2qq4 h TRP 130 Cb 0.09 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 2qq4 h TRP 130 CO 0.01 1.06 0.01 0.45 -3.56 0.00 0.00 178.44 176.41 2qq4 h HIS 131 N 0.54 1.01 -0.54 0.49 3.86 -0.88 -1.67 115.15 117.96 2qq4 h HIS 131 Ca 0.02 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 2qq4 h HIS 131 Cb 1.07 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 2qq4 h HIS 131 CO 0.05 0.90 0.05 0.00 0.86 0.00 0.00 177.93 179.79 2qq4 h ALA 132 N 1.14 0.72 0.21 2.45 0.00 -1.31 -1.58 119.26 120.89 2qq4 h ALA 132 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qq4 h ALA 132 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2qq4 h ALA 132 CO 0.02 0.50 -0.21 1.25 0.00 0.00 0.00 179.25 180.81 2qq4 h LEU 133 N 0.80 -0.57 -0.71 0.00 5.85 -0.98 0.65 115.31 120.36 2qq4 h LEU 133 Ca 0.16 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.03 2qq4 h LEU 133 Cb 0.46 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2qq4 h LEU 133 CO 0.02 -0.31 0.35 -0.33 -0.34 0.00 0.00 178.44 177.83 2qq4 h GLU 134 N -0.46 0.58 -0.38 1.25 5.08 -1.21 0.29 114.58 119.73 2qq4 h GLU 134 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2qq4 h GLU 134 Cb 0.43 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2qq4 h GLU 134 CO -0.05 0.38 0.14 0.93 -1.00 0.00 0.00 179.01 179.42 2qq4 h GLU 135 N 0.60 0.54 -0.03 2.33 4.39 -0.77 -2.26 114.58 119.37 2qq4 h GLU 135 Ca 0.35 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.84 2qq4 h GLU 135 Cb 0.38 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2qq4 h GLU 135 CO -0.27 0.46 -0.63 0.00 -1.16 0.00 0.00 179.01 177.41 2qq4 h ALA 136 N 1.62 0.88 -0.28 3.43 0.00 0.11 -2.95 119.26 122.07 2qq4 h ALA 136 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2qq4 h ALA 136 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2qq4 h ALA 136 CO -0.01 0.77 0.10 1.28 0.00 0.00 0.00 179.25 181.39 2qq4 n LEU 137 N -3.82 3.45 0.00 0.00 4.77 -0.32 -4.71 117.00 116.37 2qq4 n LEU 137 Ca -0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2qq4 n LEU 137 Cb 0.63 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qq4 n LEU 137 CO 0.44 0.52 0.00 0.54 -1.33 0.00 0.00 177.39 177.56