#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 n VAL 3 N 0.00 0.00 0.02 -3.33 0.31 -1.26 -3.17 118.33 110.90 2qq4 n VAL 3 Ca 0.00 -0.37 -0.19 0.00 -0.01 0.00 0.00 64.34 63.78 2qq4 n VAL 3 Cb 0.00 1.24 -0.14 0.00 -0.91 0.00 0.00 33.84 34.03 2qq4 n VAL 3 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qq4 h LEU 4 N 3.45 0.36 -0.92 7.52 3.38 -2.04 -0.09 115.31 126.97 2qq4 h LEU 4 Ca 0.00 -0.96 -0.08 0.00 0.09 0.00 0.00 57.88 56.93 2qq4 h LEU 4 Cb 0.83 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2qq4 h LEU 4 CO 0.00 1.30 -0.04 0.44 0.09 0.00 0.00 178.44 180.23 2qq4 h ASP 5 N -0.52 0.72 0.26 -0.43 3.32 -1.99 0.62 116.42 118.40 2qq4 h ASP 5 Ca -0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2qq4 h ASP 5 Cb 1.49 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2qq4 h ASP 5 CO 0.11 0.81 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.99 2qq4 h GLU 6 N 0.69 -0.34 -0.57 3.56 4.39 -1.59 -1.59 114.58 119.13 2qq4 h GLU 6 Ca 0.13 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 2qq4 h GLU 6 Cb 0.48 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2qq4 h GLU 6 CO 0.02 -0.06 0.07 1.25 -1.16 0.00 0.00 179.01 179.13 2qq4 h LEU 7 N -0.61 0.88 -0.73 1.33 5.85 -0.80 -1.97 115.31 119.26 2qq4 h LEU 7 Ca -0.04 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2qq4 h LEU 7 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2qq4 h LEU 7 CO 0.06 0.91 0.26 1.88 -0.34 0.00 0.00 178.44 181.20 2qq4 h TYR 8 N 0.87 1.15 -0.69 1.25 0.05 0.27 0.22 116.97 120.09 2qq4 h TYR 8 Ca 0.17 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 2qq4 h TYR 8 Cb 0.42 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2qq4 h TYR 8 CO 0.03 0.90 0.16 -0.09 -1.05 0.00 0.00 178.16 178.10 2qq4 h ARG 9 N 1.07 1.10 -0.51 4.88 2.43 -1.00 -1.44 114.38 120.90 2qq4 h ARG 9 Ca 0.24 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2qq4 h ARG 9 Cb 0.26 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2qq4 h ARG 9 CO -0.01 0.97 -0.07 0.93 -1.51 0.00 0.00 179.97 180.27 2qq4 h GLU 10 N 1.04 0.91 -0.45 0.20 4.39 -0.84 -1.37 114.58 118.46 2qq4 h GLU 10 Ca 0.22 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2qq4 h GLU 10 Cb 0.37 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2qq4 h GLU 10 CO 0.00 0.95 0.18 0.82 -1.16 0.00 0.00 179.01 179.80 2qq4 h ILE 11 N 0.83 1.21 -0.21 3.13 2.04 -0.20 -1.25 117.51 123.06 2qq4 h ILE 11 Ca 0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2qq4 h ILE 11 Cb 0.59 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2qq4 h ILE 11 CO 0.04 0.24 0.08 -0.07 0.00 0.00 0.00 178.15 178.43 2qq4 h LEU 12 N 0.59 0.30 -0.78 1.44 3.38 -1.04 -1.77 115.31 117.43 2qq4 h LEU 12 Ca 0.15 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qq4 h LEU 12 Cb 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2qq4 h LEU 12 CO -0.01 0.40 0.48 0.25 0.09 0.00 0.00 178.44 179.65 2qq4 h LEU 13 N 0.18 0.77 -0.31 1.67 5.85 -1.14 -0.65 115.31 121.68 2qq4 h LEU 13 Ca 0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qq4 h LEU 13 Cb 0.20 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qq4 h LEU 13 CO -0.00 0.51 0.15 -0.78 -0.34 0.00 0.00 178.44 177.98 2qq4 h ASP 14 N 0.91 0.41 0.79 1.25 -0.00 -0.98 0.20 116.42 118.99 2qq4 h ASP 14 Ca 0.33 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.03 57.17 2qq4 h ASP 14 Cb 0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 2qq4 h ASP 14 CO -0.14 0.41 -0.33 0.45 -0.00 0.00 0.00 179.24 179.64 2qq4 h HIS 15 N 0.37 0.00 -0.03 0.28 3.86 -1.01 0.43 115.15 119.04 2qq4 h HIS 15 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2qq4 h HIS 15 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2qq4 h HIS 15 CO -0.02 0.33 -0.09 -0.92 0.86 0.00 0.00 177.93 178.09 2qq4 h TYR 16 N 0.00 0.16 -0.26 2.45 3.20 -0.74 -2.22 116.97 119.56 2qq4 h TYR 16 Ca -0.00 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 2qq4 h TYR 16 Cb 0.81 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2qq4 h TYR 16 CO 0.00 0.70 -0.05 1.96 -1.64 0.00 0.00 178.16 179.13 2qq4 h GLN 17 N -0.43 0.49 -2.11 1.82 4.20 -0.83 -3.38 115.11 114.87 2qq4 h GLN 17 Ca -0.00 -0.18 -0.58 0.00 0.06 0.00 0.00 58.65 57.95 2qq4 h GLN 17 Cb 0.70 -0.03 -0.40 0.00 0.30 0.00 0.00 27.48 28.05 2qq4 h GLN 17 CO 0.02 0.70 -0.85 0.43 -0.67 0.00 0.00 178.83 178.46 2qq4 n SER 18 N -4.55 1.95 -4.66 1.46 7.64 0.13 -5.10 113.62 110.48 2qq4 n SER 18 Ca -0.04 -3.06 -0.43 0.00 1.01 0.00 0.00 58.87 56.35 2qq4 n SER 18 Cb 0.29 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.16 1.90 -2.80 1.43 -0.04 -0.83 -4.65 135.00 131.17 2qq4 n PRO 19 Ca 0.25 0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 64.07 2qq4 n PRO 19 Cb 0.47 -2.20 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.58 3.90 -1.57 0.54 3.00 -1.26 -4.13 118.95 117.85 2qq4 s ARG 20 Ca 0.58 0.68 -0.14 0.00 0.00 0.00 0.00 55.73 56.85 2qq4 s ARG 20 Cb -0.62 -2.32 0.10 0.00 0.00 0.00 0.00 34.95 32.11 2qq4 s ARG 20 CO 0.60 -0.05 0.90 0.09 0.00 0.00 0.00 175.30 176.84 2qq4 n ASN 21 N -1.12 -4.12 -4.62 0.23 3.02 -1.26 -4.65 115.26 102.75 2qq4 n ASN 21 Ca 0.04 -0.85 -0.40 0.00 -0.03 0.00 0.00 54.58 53.34 2qq4 n ASN 21 Cb 0.54 -3.55 -0.08 0.00 -0.61 0.00 0.00 39.78 36.09 2qq4 n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qq4 s PHE 22 N -3.33 3.28 -3.70 3.10 5.36 -1.26 -1.24 117.98 120.18 2qq4 s PHE 22 Ca 0.64 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 2qq4 s PHE 22 Cb -0.33 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 2qq4 s PHE 22 CO 0.86 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 174.78 2qq4 n GLY 23 N 4.38 0.23 3.01 13.12 0.00 -0.60 -4.91 105.19 120.41 2qq4 n GLY 23 Ca -0.05 -1.21 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 2qq4 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qq4 s VAL 24 N -4.00 0.58 0.33 1.61 -7.23 -1.26 -3.85 120.40 106.57 2qq4 s VAL 24 Ca 0.00 -0.44 -0.27 0.00 -1.81 0.00 0.00 61.98 59.45 2qq4 s VAL 24 Cb 0.00 -0.51 -0.09 0.00 0.56 0.00 0.00 36.38 36.34 2qq4 s VAL 24 CO 0.00 0.07 1.13 -0.76 -0.31 0.00 0.00 175.10 175.23 2qq4 s LEU 25 N -0.42 4.39 0.25 1.32 1.43 -1.26 -4.90 118.68 119.49 2qq4 s LEU 25 Ca 0.01 2.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2qq4 s LEU 25 Cb -0.04 -3.81 0.42 0.00 0.03 0.00 0.00 46.19 42.79 2qq4 s LEU 25 CO -0.00 -0.36 1.83 -0.65 0.23 0.00 0.00 176.35 177.40 2qq4 h PRO 26 N 3.28 0.88 -3.09 1.29 0.11 -2.03 -3.41 132.00 129.04 2qq4 h PRO 26 Ca -0.48 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.39 2qq4 h PRO 26 Cb 1.22 -0.20 -0.28 0.00 0.11 0.00 0.00 31.00 31.85 2qq4 h PRO 26 CO 0.65 0.58 -0.47 -1.14 -0.21 0.00 0.00 178.00 177.41 2qq4 s GLN 27 N -6.02 0.23 0.08 1.05 2.00 -1.26 -5.17 119.66 110.57 2qq4 s GLN 27 Ca -0.12 0.44 0.07 0.00 -2.00 0.00 0.00 55.36 53.75 2qq4 s GLN 27 Cb 0.20 -0.02 -0.03 0.00 0.80 0.00 0.00 33.01 33.96 2qq4 s GLN 27 CO 0.79 -0.11 -0.18 0.00 -0.50 0.00 0.00 175.29 175.29 2qq4 s ALA 28 N 0.80 1.55 0.15 1.58 0.00 -1.26 -4.72 121.76 119.86 2qq4 s ALA 28 Ca -0.06 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 2qq4 s ALA 28 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2qq4 s ALA 28 CO -0.05 0.30 1.54 1.15 0.00 0.00 0.00 175.76 178.69 2qq4 h THR 29 N 4.23 1.27 -1.96 0.00 2.02 -0.55 -3.47 112.91 114.45 2qq4 h THR 29 Ca -0.43 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 65.40 2qq4 h THR 29 Cb 1.18 1.16 -0.19 0.00 -1.74 0.00 0.00 68.15 68.56 2qq4 h THR 29 CO 0.41 0.48 0.41 -0.75 0.37 0.00 0.00 175.52 176.44 2qq4 s LYS 30 N -4.65 0.83 -0.01 6.66 2.20 -1.08 -5.03 119.74 118.66 2qq4 s LYS 30 Ca -0.11 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2qq4 s LYS 30 Cb 0.12 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 2qq4 s LYS 30 CO 0.87 -0.29 -0.01 1.14 -0.36 0.00 0.00 175.35 176.70 2qq4 s GLN 31 N -1.80 0.10 0.07 4.03 -2.07 -1.26 -1.17 119.66 117.56 2qq4 s GLN 31 Ca -0.03 -0.01 0.06 0.00 -1.82 0.00 0.00 55.36 53.57 2qq4 s GLN 31 Cb -0.00 -0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 31.74 2qq4 s GLN 31 CO 0.00 -0.01 -0.17 0.00 -1.32 0.00 0.00 175.29 173.79 2qq4 s ALA 32 N 0.19 1.47 0.38 2.60 0.00 0.59 -4.90 121.76 122.09 2qq4 s ALA 32 Ca -0.02 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 50.98 2qq4 s ALA 32 Cb -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 2qq4 s ALA 32 CO -0.01 0.28 -0.02 0.20 0.00 0.00 0.00 175.76 176.22 2qq4 s GLY 33 N -1.56 2.33 0.19 0.00 0.00 -1.26 -0.13 107.32 106.89 2qq4 s GLY 33 Ca 0.03 -2.18 -0.24 0.00 0.00 0.00 0.00 44.72 42.34 2qq4 s GLY 33 CO 0.03 -2.04 0.85 -0.32 0.00 0.00 0.00 173.10 171.61 2qq4 s GLY 34 N -3.69 -0.23 -0.28 0.20 0.00 -0.22 -4.83 107.32 98.28 2qq4 s GLY 34 Ca 0.34 0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.91 2qq4 s GLY 34 CO 0.18 0.01 0.99 -0.29 0.00 0.00 0.00 173.10 173.99 2qq4 s MET 35 N -3.52 0.48 -0.59 2.90 0.00 -1.26 -1.24 119.30 116.07 2qq4 s MET 35 Ca 0.11 0.66 -0.15 0.00 0.00 0.00 0.00 55.69 56.30 2qq4 s MET 35 Cb -0.03 0.19 0.15 0.00 0.00 0.00 0.00 34.83 35.14 2qq4 s MET 35 CO 0.02 -0.07 0.54 0.54 0.00 0.00 0.00 175.02 176.05 2qq4 s ASN 36 N 0.64 6.26 0.60 1.11 2.20 -0.90 -4.93 114.94 119.93 2qq4 s ASN 36 Ca -0.01 -1.97 0.28 0.00 -0.94 0.00 0.00 52.86 50.22 2qq4 s ASN 36 Cb -0.05 -2.19 1.26 0.00 -2.00 0.00 0.00 41.25 38.27 2qq4 s ASN 36 CO -0.09 -0.79 1.65 1.55 -2.94 0.00 0.00 177.10 176.47 2qq4 h PRO 37 N 8.64 0.00 0.00 3.55 0.13 -1.94 0.38 132.00 142.77 2qq4 h PRO 37 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2qq4 h PRO 37 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qq4 h PRO 37 CO 0.97 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.19 2qq4 n SER 38 N -3.50 0.00 0.17 1.44 2.88 -1.26 -3.56 113.62 109.78 2qq4 n SER 38 Ca 0.15 0.82 0.03 0.00 -1.33 0.00 0.00 58.87 58.53 2qq4 n SER 38 Cb 1.04 -0.32 0.26 0.00 -0.75 0.00 0.00 64.21 64.45 2qq4 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qq4 n GLY 40 N 0.26 0.67 3.77 0.00 0.00 0.13 -4.97 105.19 105.04 2qq4 n GLY 40 Ca -0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.55 7.14 -0.02 1.61 1.01 -1.21 -4.83 116.67 117.82 2qq4 s ASP 41 Ca 0.00 2.17 0.04 0.00 0.71 0.00 0.00 52.55 55.47 2qq4 s ASP 41 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 2qq4 s ASP 41 CO 0.00 -0.22 -0.15 -1.58 0.21 0.00 0.00 175.17 173.43 2qq4 s GLN 42 N -1.75 1.33 0.01 8.23 -0.44 0.94 -2.11 119.66 125.88 2qq4 s GLN 42 Ca 0.48 -0.52 -0.01 0.00 -2.50 0.00 0.00 55.36 52.81 2qq4 s GLN 42 Cb -0.28 -1.23 -0.01 0.00 -1.64 0.00 0.00 33.01 29.84 2qq4 s GLN 42 CO 0.36 0.26 0.01 0.54 0.50 0.00 0.00 175.29 176.96 2qq4 s VAL 43 N -0.14 0.09 -0.11 1.34 0.11 -0.37 -1.78 120.40 119.54 2qq4 s VAL 43 Ca 0.01 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2qq4 s VAL 43 Cb -0.08 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2qq4 s VAL 43 CO 0.00 -0.43 -0.03 -1.61 -3.33 0.00 0.00 175.10 169.71 2qq4 s GLU 44 N -1.29 1.01 -0.13 1.54 0.41 0.22 -1.05 118.70 119.39 2qq4 s GLU 44 Ca -0.14 -0.13 -0.00 0.00 -0.41 0.00 0.00 54.97 54.29 2qq4 s GLU 44 Cb -0.09 -1.39 -0.01 0.00 -1.78 0.00 0.00 34.13 30.86 2qq4 s GLU 44 CO -0.00 -0.34 -0.13 0.08 -0.49 0.00 0.00 175.26 174.38 2qq4 s VAL 45 N 1.84 2.99 -0.05 2.63 1.01 0.82 -0.58 120.40 129.06 2qq4 s VAL 45 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2qq4 s VAL 45 Cb -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2qq4 s VAL 45 CO -0.07 0.52 -0.19 -0.04 0.00 0.00 0.00 175.10 175.33 2qq4 s MET 46 N 0.42 2.00 0.04 2.72 -1.94 -0.52 -0.30 119.30 121.72 2qq4 s MET 46 Ca -0.10 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.27 2qq4 s MET 46 Cb -0.16 -1.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 2qq4 s MET 46 CO 0.05 0.25 -0.15 0.14 -0.01 0.00 0.00 175.02 175.29 2qq4 s VAL 47 N 0.07 1.23 -0.32 -6.03 -7.23 -0.32 -1.34 120.40 106.45 2qq4 s VAL 47 Ca -0.06 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2qq4 s VAL 47 Cb -0.13 -1.10 0.06 0.00 0.56 0.00 0.00 36.38 35.77 2qq4 s VAL 47 CO 0.03 0.04 0.05 -0.22 -0.31 0.00 0.00 175.10 174.68 2qq4 s LEU 48 N -1.17 4.16 -0.02 1.32 2.96 0.76 0.25 118.68 126.94 2qq4 s LEU 48 Ca 0.03 -1.34 -0.16 0.00 -0.22 0.00 0.00 54.13 52.43 2qq4 s LEU 48 Cb -0.08 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2qq4 s LEU 48 CO 0.01 -0.31 0.44 -0.76 -1.32 0.00 0.00 176.35 174.41 2qq4 s LEU 49 N 1.27 4.44 -0.54 -0.68 1.43 -1.26 -0.20 118.68 123.13 2qq4 s LEU 49 Ca -0.03 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2qq4 s LEU 49 Cb -0.20 -2.64 0.15 0.00 0.03 0.00 0.00 46.19 43.53 2qq4 s LEU 49 CO -0.01 0.25 0.34 -1.61 0.23 0.00 0.00 176.35 175.55 2qq4 s GLU 50 N -0.69 1.77 6.28 1.70 2.02 -0.14 -4.84 118.70 124.79 2qq4 s GLU 50 Ca 0.25 -2.58 0.00 0.00 0.02 0.00 0.00 54.97 52.65 2qq4 s GLU 50 Cb -0.17 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.28 2qq4 s GLU 50 CO 0.13 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.60 2qq4 n GLY 51 N 2.86 1.83 1.13 -1.39 0.00 -1.26 -2.89 105.19 105.48 2qq4 n GLY 51 Ca 0.14 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 7.09 3.56 -4.66 1.61 5.75 -1.26 -4.96 116.55 123.67 2qq4 n ASP 52 Ca 0.00 -1.98 -0.31 0.00 -0.01 0.00 0.00 54.79 52.49 2qq4 n ASP 52 Cb 0.00 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.64 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 -1.12 3.93 -0.76 2.12 2.01 -1.14 -0.36 115.64 120.31 2qq4 s THR 53 Ca 0.40 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.27 2qq4 s THR 53 Cb 0.22 -2.83 0.08 0.00 0.01 0.00 0.00 72.50 69.98 2qq4 s THR 53 CO 0.29 0.20 1.06 -0.63 -0.69 0.00 0.00 174.62 174.85 2qq4 s ILE 54 N -1.22 4.37 0.14 1.82 1.01 0.10 -0.97 121.20 126.45 2qq4 s ILE 54 Ca 0.23 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 2qq4 s ILE 54 Cb -0.12 -4.75 0.01 0.00 0.01 0.00 0.00 42.46 37.62 2qq4 s ILE 54 CO 0.15 -1.53 1.61 0.00 0.00 0.00 0.00 174.94 175.17 2qq4 h ALA 55 N 9.42 0.63 -2.75 9.38 0.00 -0.91 0.30 119.26 135.33 2qq4 h ALA 55 Ca -0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2qq4 h ALA 55 Cb 1.05 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 2qq4 h ALA 55 CO 1.19 0.40 -0.09 0.34 0.00 0.00 0.00 179.25 181.09 2qq4 s ASP 56 N -6.26 -0.22 -0.23 0.00 2.15 -0.81 -4.55 116.67 106.75 2qq4 s ASP 56 Ca -0.13 -0.33 -0.25 0.00 0.43 0.00 0.00 52.55 52.28 2qq4 s ASP 56 Cb 0.11 0.47 0.07 0.00 -0.30 0.00 0.00 42.92 43.27 2qq4 s ASP 56 CO 0.81 -0.85 0.68 -0.51 -0.17 0.00 0.00 175.17 175.13 2qq4 s ILE 57 N -3.81 0.00 0.06 4.11 2.07 -1.26 -0.17 121.20 122.21 2qq4 s ILE 57 Ca 0.03 -0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2qq4 s ILE 57 Cb 0.02 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2qq4 s ILE 57 CO -0.12 -0.00 -0.00 -0.13 -1.91 0.00 0.00 174.94 172.78 2qq4 s ARG 58 N 0.17 0.67 0.02 3.50 1.81 -0.45 -4.85 118.95 119.82 2qq4 s ARG 58 Ca -0.01 -1.22 -0.00 0.00 -1.72 0.00 0.00 55.73 52.77 2qq4 s ARG 58 Cb -0.04 0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.66 2qq4 s ARG 58 CO 0.02 -0.14 -0.03 -0.59 -0.68 0.00 0.00 175.30 173.88 2qq4 s PHE 59 N -3.93 0.23 0.12 -0.53 -0.12 -0.38 -1.43 117.98 111.94 2qq4 s PHE 59 Ca 0.09 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.52 2qq4 s PHE 59 Cb 0.08 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 2qq4 s PHE 59 CO -0.09 -0.17 -0.09 -0.65 -0.05 0.00 0.00 175.22 174.17 2qq4 s GLN 60 N -1.32 0.94 0.00 1.99 -0.21 0.25 -1.56 119.66 119.75 2qq4 s GLN 60 Ca -0.14 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 53.88 2qq4 s GLN 60 Cb -0.09 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.48 2qq4 s GLN 60 CO -0.01 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.61 2qq4 n GLY 61 N -0.02 3.81 3.35 3.09 0.00 -1.26 0.69 105.19 114.85 2qq4 n GLY 61 Ca -0.12 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.54 3.36 0.14 1.61 2.00 -0.74 -4.96 119.66 118.53 2qq4 s GLN 62 Ca 0.00 -0.69 -0.21 0.00 -2.00 0.00 0.00 55.36 52.46 2qq4 s GLN 62 Cb 0.00 -2.66 0.07 0.00 0.80 0.00 0.00 33.01 31.22 2qq4 s GLN 62 CO 0.00 0.14 0.98 0.41 -0.50 0.00 0.00 175.29 176.32 2qq4 n GLY 63 N 3.72 0.59 3.68 2.59 0.00 -1.26 -0.04 105.19 114.48 2qq4 n GLY 63 Ca -0.18 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.16 1.42 -0.15 0.00 0.00 -1.99 -1.64 119.26 114.74 2qq4 h ALA 65 Ca -0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2qq4 h ALA 65 Cb 1.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qq4 h ALA 65 CO 0.44 0.44 -0.06 0.82 0.00 0.00 0.00 179.25 180.89 2qq4 h ILE 66 N 0.66 1.31 -0.85 0.00 2.04 -1.92 -1.39 117.51 117.36 2qq4 h ILE 66 Ca 0.16 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2qq4 h ILE 66 Cb 0.17 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2qq4 h ILE 66 CO -0.01 0.31 0.54 0.77 0.00 0.00 0.00 178.15 179.76 2qq4 h SER 67 N -0.02 1.00 -0.22 1.72 4.64 -1.56 0.66 113.55 119.76 2qq4 h SER 67 Ca 0.03 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2qq4 h SER 67 Cb 0.51 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2qq4 h SER 67 CO 0.02 0.75 -0.07 0.74 -0.87 0.00 0.00 176.83 177.40 2qq4 h THR 68 N 1.16 1.29 -0.77 2.95 2.02 -1.29 -1.66 112.91 116.61 2qq4 h THR 68 Ca 0.31 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 2qq4 h THR 68 Cb -0.09 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2qq4 h THR 68 CO -0.06 0.33 0.27 0.00 0.37 0.00 0.00 175.52 176.43 2qq4 h ALA 69 N 0.74 1.02 -0.15 6.16 0.00 -1.04 -1.07 119.26 124.92 2qq4 h ALA 69 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qq4 h ALA 69 Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qq4 h ALA 69 CO 0.02 0.67 0.06 1.03 0.00 0.00 0.00 179.25 181.03 2qq4 h SER 70 N 1.14 0.20 -0.84 0.00 0.87 -0.79 -1.20 113.55 112.93 2qq4 h SER 70 Ca 0.25 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2qq4 h SER 70 Cb 0.27 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2qq4 h SER 70 CO -0.01 0.32 0.52 0.00 -0.53 0.00 0.00 176.83 177.13 2qq4 h ALA 71 N 0.90 1.07 0.31 6.23 0.00 -1.12 0.14 119.26 126.78 2qq4 h ALA 71 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qq4 h ALA 71 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qq4 h ALA 71 CO -0.00 0.51 -0.15 1.03 0.00 0.00 0.00 179.25 180.64 2qq4 h SER 72 N 1.15 -0.35 -0.54 0.00 0.87 -1.07 -1.13 113.55 112.48 2qq4 h SER 72 Ca 0.30 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2qq4 h SER 72 Cb -0.07 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2qq4 h SER 72 CO -0.06 -0.14 0.30 -0.07 -0.53 0.00 0.00 176.83 176.33 2qq4 h LEU 73 N -0.54 0.69 0.34 2.23 3.38 -1.04 -1.94 115.31 118.43 2qq4 h LEU 73 Ca -0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qq4 h LEU 73 Cb 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qq4 h LEU 73 CO 0.07 0.56 -0.16 -0.03 0.09 0.00 0.00 178.44 178.97 2qq4 h MET 74 N 0.78 -0.44 -0.88 1.13 4.05 -0.54 0.76 114.93 119.79 2qq4 h MET 74 Ca 0.20 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2qq4 h MET 74 Cb 0.03 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 2qq4 h MET 74 CO -0.03 -0.23 0.58 1.79 0.23 0.00 0.00 176.91 179.25 2qq4 h THR 75 N -0.57 1.20 -0.55 -0.77 1.35 -1.00 -1.07 112.91 111.49 2qq4 h THR 75 Ca -0.05 -0.40 -0.11 0.00 -0.55 0.00 0.00 66.41 65.30 2qq4 h THR 75 Cb 0.42 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.76 2qq4 h THR 75 CO 0.08 0.21 -0.10 -0.08 -0.25 0.00 0.00 175.52 175.38 2qq4 h GLU 76 N 1.17 1.04 0.00 4.72 4.81 -1.22 -1.67 114.58 123.42 2qq4 h GLU 76 Ca 0.33 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2qq4 h GLU 76 Cb -0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2qq4 h GLU 76 CO -0.08 1.07 -0.43 0.00 -0.73 0.00 0.00 179.01 178.85 2qq4 h ALA 77 N 0.93 1.00 0.00 2.92 0.00 -0.04 -3.33 119.26 120.75 2qq4 h ALA 77 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qq4 h ALA 77 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qq4 h ALA 77 CO 0.05 0.53 -1.21 1.33 0.00 0.00 0.00 179.25 179.95 2qq4 n VAL 78 N -3.60 0.00 -1.70 0.00 0.24 -0.48 -4.87 118.33 107.92 2qq4 n VAL 78 Ca -0.00 -0.23 -0.44 0.00 -2.04 0.00 0.00 64.34 61.62 2qq4 n VAL 78 Cb 0.53 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.69 2.39 -0.80 7.34 4.81 -0.64 -1.28 118.16 128.29 2qq4 n LYS 79 Ca 0.00 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2qq4 n LYS 79 Cb 0.34 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.77 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 2.95 1.28 3.93 3.14 0.00 0.10 -5.02 105.19 111.57 2qq4 n GLY 80 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.05 3.40 0.63 1.61 -0.14 -0.40 -4.67 119.74 120.13 2qq4 s LYS 81 Ca 0.00 -0.16 -0.15 0.00 -1.36 0.00 0.00 55.97 54.30 2qq4 s LYS 81 Cb 0.00 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2qq4 s LYS 81 CO 0.00 -0.09 1.09 0.15 -0.76 0.00 0.00 175.35 175.75 2qq4 s LYS 82 N -4.54 2.98 0.20 1.68 3.01 -1.26 -0.72 119.74 121.10 2qq4 s LYS 82 Ca 0.45 1.34 -0.10 0.00 -1.01 0.00 0.00 55.97 56.64 2qq4 s LYS 82 Cb -0.10 -1.98 0.24 0.00 -1.01 0.00 0.00 37.83 34.98 2qq4 s LYS 82 CO 0.40 -1.10 1.76 0.28 0.51 0.00 0.00 175.35 177.20 2qq4 h VAL 83 N 0.20 0.83 -0.42 3.17 2.07 -1.05 -0.73 116.25 120.32 2qq4 h VAL 83 Ca -0.47 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2qq4 h VAL 83 Cb 1.24 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2qq4 h VAL 83 CO 0.55 0.08 0.21 0.00 0.02 0.00 0.00 177.57 178.43 2qq4 h ALA 84 N 1.38 1.58 -0.49 1.67 0.00 -1.92 -1.19 119.26 120.29 2qq4 h ALA 84 Ca 0.28 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2qq4 h ALA 84 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qq4 h ALA 84 CO -0.26 0.35 -0.18 0.93 0.00 0.00 0.00 179.25 180.09 2qq4 h GLU 85 N 0.59 0.98 -0.66 0.00 5.08 -1.54 -1.59 114.58 117.44 2qq4 h GLU 85 Ca 0.15 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2qq4 h GLU 85 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2qq4 h GLU 85 CO -0.02 1.07 0.12 0.00 -1.00 0.00 0.00 179.01 179.19 2qq4 h ALA 86 N 0.87 0.97 -0.28 3.43 0.00 -0.63 -2.01 119.26 121.62 2qq4 h ALA 86 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2qq4 h ALA 86 Cb 0.75 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qq4 h ALA 86 CO 0.06 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.72 2qq4 h LEU 87 N 1.01 0.50 -0.40 0.00 3.38 -1.07 -0.24 115.31 118.49 2qq4 h LEU 87 Ca 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qq4 h LEU 87 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2qq4 h LEU 87 CO 0.01 0.69 0.12 -0.33 0.09 0.00 0.00 178.44 179.02 2qq4 h GLU 88 N 0.46 0.62 -0.57 1.13 4.39 -0.91 -1.23 114.58 118.48 2qq4 h GLU 88 Ca 0.08 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2qq4 h GLU 88 Cb 0.57 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2qq4 h GLU 88 CO 0.04 0.63 0.21 -0.07 -1.16 0.00 0.00 179.01 178.66 2qq4 h LEU 89 N 0.50 0.80 -0.65 1.33 3.38 -1.05 -1.50 115.31 118.11 2qq4 h LEU 89 Ca 0.13 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qq4 h LEU 89 Cb 0.27 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2qq4 h LEU 89 CO -0.00 0.77 0.39 -1.28 0.09 0.00 0.00 178.44 178.40 2qq4 h SER 90 N 0.79 0.62 0.14 -0.43 0.87 -0.81 0.29 113.55 115.02 2qq4 h SER 90 Ca 0.19 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2qq4 h SER 90 Cb 0.23 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2qq4 h SER 90 CO -0.01 0.42 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.56 2qq4 h ARG 91 N 0.75 -0.17 -0.80 2.24 1.12 -0.95 -0.61 114.38 115.96 2qq4 h ARG 91 Ca 0.27 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.16 2qq4 h ARG 91 Cb 0.07 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 2qq4 h ARG 91 CO -0.13 -0.02 0.53 0.87 -3.11 0.00 0.00 179.97 178.11 2qq4 h LYS 92 N -0.30 1.04 -0.29 0.20 1.57 -0.88 0.07 116.57 117.97 2qq4 h LYS 92 Ca -0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2qq4 h LYS 92 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2qq4 h LYS 92 CO 0.03 0.69 0.18 0.35 -0.57 0.00 0.00 179.45 180.13 2qq4 h PHE 93 N 1.07 0.38 -0.35 -1.35 3.57 -0.19 -0.97 116.94 119.12 2qq4 h PHE 93 Ca 0.29 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2qq4 h PHE 93 Cb -0.12 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2qq4 h PHE 93 CO -0.02 0.28 -0.12 1.96 -2.23 0.00 0.00 178.31 178.18 2qq4 h GLN 94 N 0.38 0.60 -0.61 1.11 4.20 -0.78 -1.93 115.11 118.08 2qq4 h GLN 94 Ca 0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2qq4 h GLN 94 Cb 0.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2qq4 h GLN 94 CO -0.02 0.71 0.29 0.00 -0.67 0.00 0.00 178.83 179.14 2qq4 h ALA 95 N 1.32 0.78 0.53 3.87 0.00 -0.60 0.25 119.26 125.41 2qq4 h ALA 95 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qq4 h ALA 95 Cb 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qq4 h ALA 95 CO 0.03 0.34 -0.25 1.98 0.00 0.00 0.00 179.25 181.35 2qq4 h MET 96 N 0.83 -0.69 0.17 0.00 1.85 -0.79 -2.07 114.93 114.23 2qq4 h MET 96 Ca 0.21 0.05 -0.32 0.00 -0.61 0.00 0.00 59.70 59.02 2qq4 h MET 96 Cb 0.12 0.16 0.01 0.00 0.43 0.00 0.00 31.60 32.31 2qq4 h MET 96 CO -0.03 -0.45 -1.56 -0.39 -0.40 0.00 0.00 176.91 174.08 2qq4 h VAL 97 N -0.72 1.14 0.01 -5.77 -1.51 -1.27 -2.44 116.25 105.70 2qq4 h VAL 97 Ca -0.07 -2.72 -0.01 0.00 -1.23 0.00 0.00 66.70 62.67 2qq4 h VAL 97 Cb 0.55 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 2qq4 h VAL 97 CO 0.12 0.84 -0.04 0.58 -1.23 0.00 0.00 177.57 177.83 2qq4 h VAL 98 N 0.10 1.75 0.00 7.19 2.07 -0.63 -3.37 116.25 123.35 2qq4 h VAL 98 Ca -0.27 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.01 2qq4 h VAL 98 Cb 2.07 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 35.11 2qq4 h VAL 98 CO 0.19 0.59 -0.65 -0.62 0.02 0.00 0.00 177.57 177.10 2qq4 n GLU 99 N -4.61 0.29 -2.01 1.57 -0.58 -1.05 -4.95 120.64 109.31 2qq4 n GLU 99 Ca -0.10 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 2qq4 n GLU 99 Cb 0.48 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 2qq4 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qq4 n GLY 100 N 1.34 0.22 3.79 0.62 0.00 -0.88 -4.99 105.19 105.29 2qq4 n GLY 100 Ca 0.03 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2qq4 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 s ALA 101 N -2.55 2.69 -0.09 4.61 0.00 -0.83 -4.91 121.76 120.69 2qq4 s ALA 101 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 51.96 52.19 2qq4 s ALA 101 Cb 0.00 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2qq4 s ALA 101 CO 0.00 -0.81 1.77 -2.30 0.00 0.00 0.00 175.76 174.42 2qq4 n PRO 102 N -1.72 1.88 -1.62 0.00 -0.02 -1.26 -4.48 135.00 127.77 2qq4 n PRO 102 Ca 0.10 0.69 -0.51 0.00 -2.02 0.00 0.00 63.50 61.76 2qq4 n PRO 102 Cb 0.52 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2qq4 n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qq4 n PRO 103 N 5.63 1.44 -2.28 0.52 -0.02 -1.26 -4.91 135.00 134.13 2qq4 n PRO 103 Ca 0.22 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 2qq4 n PRO 103 Cb 0.25 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.86 6.85 0.53 2.55 -1.08 -1.26 -4.89 116.67 120.23 2qq4 s ASP 104 Ca 0.84 1.89 0.32 0.00 -0.52 0.00 0.00 52.55 55.08 2qq4 s ASP 104 Cb -0.88 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 39.52 2qq4 s ASP 104 CO 0.46 -0.82 1.86 -0.65 0.52 0.00 0.00 175.17 176.53 2qq4 h PRO 105 N 8.66 0.03 0.00 4.34 0.11 -1.99 -0.60 132.00 142.54 2qq4 h PRO 105 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qq4 h PRO 105 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qq4 h PRO 105 CO 0.96 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 179.02 2qq4 n THR 106 N -4.26 1.15 0.29 -1.15 -2.24 -1.26 -2.52 114.28 104.29 2qq4 n THR 106 Ca 0.21 0.29 0.17 0.00 -2.27 0.00 0.00 64.05 62.45 2qq4 n THR 106 Cb 1.05 -1.11 0.71 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.49 -3.48 115.31 116.94 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 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 -0.04 3.23 0.13 0.83 0.00 -1.05 -1.73 105.19 106.56 2qq4 n GLY 108 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2qq4 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qq4 n ASP 109 N 3.02 0.44 0.19 1.61 10.43 -1.26 -0.48 116.55 130.49 2qq4 n ASP 109 Ca 0.00 0.69 0.14 0.00 2.57 0.00 0.00 54.79 58.19 2qq4 n ASP 109 Cb 0.00 -0.74 0.58 0.00 1.84 0.00 0.00 41.12 42.80 2qq4 n ASP 109 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2qq4 h LEU 110 N 0.00 0.00 -2.33 0.64 3.38 -1.72 -2.25 115.31 113.03 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 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qq4 h LEU 110 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 2qq4 h LEU 111 N 0.00 0.00 -2.50 1.67 3.38 -0.95 -1.84 115.31 115.07 2qq4 h LEU 111 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 111 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qq4 h LEU 111 CO 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.51 2qq4 h ALA 112 N 2.01 1.18 -0.28 1.53 0.00 -1.61 -2.16 119.26 119.93 2qq4 h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qq4 h ALA 112 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qq4 h ALA 112 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2qq4 n LEU 113 N -3.37 2.36 0.22 0.00 4.77 -0.69 -4.44 117.00 115.85 2qq4 n LEU 113 Ca -0.02 -1.03 0.14 0.00 -0.03 0.00 0.00 56.01 55.07 2qq4 n LEU 113 Cb 0.13 -0.18 0.76 0.00 -2.33 0.00 0.00 43.42 41.80 2qq4 n LEU 113 CO 0.24 0.51 1.12 0.06 -1.33 0.00 0.00 177.39 177.99 2qq4 h GLN 114 N 3.02 0.00 0.00 3.23 3.07 -1.56 -0.71 115.11 122.16 2qq4 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qq4 h GLN 114 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.23 2qq4 h GLN 114 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 178.83 179.70 2qq4 h GLY 115 N 0.00 0.00 2.00 0.06 0.00 -1.83 -2.32 103.07 100.98 2qq4 h GLY 115 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2qq4 h GLY 115 CO -0.00 0.00 -0.11 -2.08 0.00 0.00 0.00 176.54 174.35 2qq4 h VAL 116 N 0.00 0.88 -0.31 4.60 2.07 -1.47 -2.14 116.25 119.88 2qq4 h VAL 116 Ca 0.00 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.20 2qq4 h VAL 116 Cb 0.16 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2qq4 h VAL 116 CO 0.00 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.92 2qq4 h ALA 117 N 1.89 2.27 -0.00 1.67 0.00 -1.57 0.33 119.26 123.85 2qq4 h ALA 117 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 117 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qq4 h ALA 117 CO 0.01 -0.35 -0.01 1.63 0.00 0.00 0.00 179.25 180.53 2qq4 n LYS 118 N -4.45 1.05 -3.33 0.00 5.02 -0.81 -4.04 118.16 111.61 2qq4 n LYS 118 Ca 0.04 -0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 55.88 2qq4 n LYS 118 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 2qq4 n LYS 118 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qq4 n LEU 119 N -0.81 2.70 -0.53 -0.35 4.77 0.11 -4.96 117.00 117.93 2qq4 n LEU 119 Ca 0.22 -5.23 0.43 0.00 -0.03 0.00 0.00 56.01 51.40 2qq4 n LEU 119 Cb 0.18 -0.25 0.73 0.00 -2.33 0.00 0.00 43.42 41.74 2qq4 n LEU 119 CO 0.19 2.08 1.34 -0.65 -1.33 0.00 0.00 177.39 179.02 2qq4 h PRO 120 N 4.04 0.04 0.00 3.23 0.11 -1.71 0.91 132.00 138.62 2qq4 h PRO 120 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qq4 h PRO 120 Cb 0.72 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2qq4 h PRO 120 CO 0.72 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 2qq4 n ALA 121 N -2.70 2.24 0.09 -0.75 0.00 -1.26 -3.22 120.51 114.91 2qq4 n ALA 121 Ca 0.39 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.79 2qq4 n ALA 121 Cb 1.64 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 19.73 2qq4 n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qq4 n ARG 122 N -1.57 1.64 -0.13 0.00 5.12 0.31 -4.64 116.66 117.39 2qq4 n ARG 122 Ca 0.06 -1.49 -0.07 0.00 -1.93 0.00 0.00 57.85 54.42 2qq4 n ARG 122 Cb 0.33 -1.18 0.01 0.00 -1.16 0.00 0.00 32.46 30.45 2qq4 n ARG 122 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qq4 h VAL 123 N 1.57 1.06 0.00 1.55 2.07 -1.48 -1.93 116.25 119.09 2qq4 h VAL 123 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2qq4 h VAL 123 Cb 0.52 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2qq4 h VAL 123 CO 0.00 0.09 -0.05 0.11 0.02 0.00 0.00 177.57 177.74 2qq4 h LYS 124 N 0.51 0.00 -0.79 1.57 1.57 -1.82 -0.30 116.57 117.31 2qq4 h LYS 124 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2qq4 h LYS 124 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2qq4 h LYS 124 CO -0.06 0.05 0.32 0.00 -0.57 0.00 0.00 179.45 179.18 2qq4 h ALA 126 N 1.17 0.19 0.00 0.00 0.00 -1.04 -3.30 119.26 116.28 2qq4 h ALA 126 Ca 0.26 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2qq4 h ALA 126 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qq4 h ALA 126 CO -0.02 1.08 -0.56 0.25 0.00 0.00 0.00 179.25 180.00 2qq4 n THR 127 N -3.46 0.38 -0.12 0.00 -2.24 -0.63 -4.41 114.28 103.78 2qq4 n THR 127 Ca -0.06 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 2qq4 n THR 127 Cb 1.00 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.87 -1.25 3.22 5.85 -1.48 0.12 115.31 120.90 2qq4 h LEU 128 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2qq4 h LEU 128 Cb 0.74 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2qq4 h LEU 128 CO 0.00 -0.28 0.02 0.00 -0.34 0.00 0.00 178.44 177.85 2qq4 h ALA 129 N 1.00 1.39 -0.21 1.25 0.00 -1.84 -1.61 119.26 119.23 2qq4 h ALA 129 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2qq4 h ALA 129 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qq4 h ALA 129 CO -0.52 0.43 -0.44 -1.49 0.00 0.00 0.00 179.25 177.23 2qq4 h TRP 130 N 0.52 0.63 -0.43 0.00 4.06 -1.46 -0.42 115.95 118.85 2qq4 h TRP 130 Ca 0.11 -0.19 -0.13 0.00 2.06 0.00 0.00 58.89 60.74 2qq4 h TRP 130 Cb 0.30 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 2qq4 h TRP 130 CO 0.01 0.87 -0.25 0.45 -3.56 0.00 0.00 178.44 175.97 2qq4 h HIS 131 N 0.43 1.08 -0.65 0.49 3.86 -0.64 -2.18 115.15 117.53 2qq4 h HIS 131 Ca 0.03 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 58.91 2qq4 h HIS 131 Cb 0.94 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 2qq4 h HIS 131 CO 0.04 1.09 0.21 0.00 0.86 0.00 0.00 177.93 180.13 2qq4 h ALA 132 N 0.83 1.14 -0.12 2.45 0.00 -1.16 -2.59 119.26 119.81 2qq4 h ALA 132 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2qq4 h ALA 132 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2qq4 h ALA 132 CO 0.07 0.60 0.05 1.25 0.00 0.00 0.00 179.25 181.22 2qq4 h LEU 133 N 0.96 0.17 -1.47 0.00 5.85 -0.87 -1.12 115.31 118.83 2qq4 h LEU 133 Ca 0.21 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2qq4 h LEU 133 Cb 0.26 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qq4 h LEU 133 CO -0.01 0.27 0.26 -0.33 -0.34 0.00 0.00 178.44 178.29 2qq4 h GLU 134 N 0.06 0.62 -0.27 1.25 5.08 -1.24 0.69 114.58 120.76 2qq4 h GLU 134 Ca 0.04 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2qq4 h GLU 134 Cb 0.15 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qq4 h GLU 134 CO -0.00 0.45 -0.24 0.93 -1.00 0.00 0.00 179.01 179.15 2qq4 h GLU 135 N 0.63 0.64 0.00 2.33 5.08 -1.28 -2.27 114.58 119.72 2qq4 h GLU 135 Ca 0.17 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2qq4 h GLU 135 Cb -0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qq4 h GLU 135 CO -0.03 0.92 -0.14 0.00 -1.00 0.00 0.00 179.01 178.77 2qq4 h ALA 136 N 0.70 1.59 -0.00 3.43 0.00 -0.34 -2.18 119.26 122.47 2qq4 h ALA 136 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qq4 h ALA 136 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2qq4 h ALA 136 CO 0.06 0.17 -0.32 1.28 0.00 0.00 0.00 179.25 180.45 2qq4 n LEU 137 N -4.12 0.45 -0.18 0.00 4.77 0.15 -4.73 117.00 113.36 2qq4 n LEU 137 Ca -0.02 0.07 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 2qq4 n LEU 137 Cb 0.22 -0.28 0.79 0.00 -2.33 0.00 0.00 43.42 41.82 2qq4 n LEU 137 CO 0.34 0.10 1.02 0.54 -1.33 0.00 0.00 177.39 178.06