#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 n SER 2 N 0.00 0.88 -0.02 6.12 7.64 -1.26 -4.33 113.62 122.66 2qq4 n SER 2 Ca 0.00 -0.05 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 2qq4 n SER 2 Cb 0.00 0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 2qq4 n SER 2 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2qq4 h VAL 3 N 0.00 0.98 0.00 0.44 2.07 -2.05 -2.53 116.25 115.16 2qq4 h VAL 3 Ca 0.00 -1.55 -0.18 0.00 0.82 0.00 0.00 66.70 65.79 2qq4 h VAL 3 Cb 0.00 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2qq4 h VAL 3 CO 0.00 0.31 -0.86 -0.07 0.02 0.00 0.00 177.57 176.96 2qq4 h LEU 4 N -0.95 0.00 -0.47 2.57 3.38 -1.98 -3.00 115.31 114.86 2qq4 h LEU 4 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2qq4 h LEU 4 Cb 0.56 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2qq4 h LEU 4 CO 0.01 0.86 0.14 -0.78 0.09 0.00 0.00 178.44 178.77 2qq4 h ASP 5 N 0.00 0.12 -0.63 -0.43 1.82 -1.75 2.09 116.42 117.64 2qq4 h ASP 5 Ca -0.01 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2qq4 h ASP 5 Cb 1.64 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 41.68 2qq4 h ASP 5 CO 0.11 0.10 0.31 -0.08 -1.61 0.00 0.00 179.24 178.07 2qq4 h GLU 6 N 0.30 0.89 -0.28 0.28 4.57 -1.44 -0.81 114.58 118.09 2qq4 h GLU 6 Ca 0.22 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 2qq4 h GLU 6 Cb 0.25 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2qq4 h GLU 6 CO -0.25 0.70 -0.29 1.25 -1.18 0.00 0.00 179.01 179.25 2qq4 h LEU 7 N 0.86 0.74 -0.58 1.64 5.85 -1.01 -2.70 115.31 120.11 2qq4 h LEU 7 Ca 0.22 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2qq4 h LEU 7 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2qq4 h LEU 7 CO -0.03 1.07 0.38 1.88 -0.34 0.00 0.00 178.44 181.40 2qq4 h TYR 8 N 0.44 0.72 -0.77 1.25 0.99 0.35 0.75 116.97 120.70 2qq4 h TYR 8 Ca 0.04 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.84 2qq4 h TYR 8 Cb 0.86 -0.24 -0.05 0.00 1.00 0.00 0.00 36.73 38.30 2qq4 h TYR 8 CO 0.07 0.44 0.47 -0.09 -0.00 0.00 0.00 178.16 179.05 2qq4 h ARG 9 N 0.77 0.85 -0.41 4.88 2.43 -1.11 -0.65 114.38 121.14 2qq4 h ARG 9 Ca 0.22 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2qq4 h ARG 9 Cb -0.06 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 2qq4 h ARG 9 CO -0.06 0.56 0.12 0.93 -1.51 0.00 0.00 179.97 180.02 2qq4 h GLU 10 N 0.87 0.64 -0.26 0.20 4.39 -1.01 -0.97 114.58 118.44 2qq4 h GLU 10 Ca 0.33 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2qq4 h GLU 10 Cb 0.12 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2qq4 h GLU 10 CO -0.15 0.64 0.11 0.82 -1.16 0.00 0.00 179.01 179.26 2qq4 h ILE 11 N 0.52 0.96 0.25 3.13 2.04 -0.24 -0.21 117.51 123.96 2qq4 h ILE 11 Ca 0.13 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2qq4 h ILE 11 Cb 0.27 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2qq4 h ILE 11 CO -0.00 0.04 -0.15 -0.07 0.00 0.00 0.00 178.15 177.98 2qq4 h LEU 12 N 0.24 -0.36 -0.42 1.44 3.38 -0.98 -0.88 115.31 117.73 2qq4 h LEU 12 Ca 0.11 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2qq4 h LEU 12 Cb 0.06 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2qq4 h LEU 12 CO -0.10 -0.24 0.03 0.25 0.09 0.00 0.00 178.44 178.48 2qq4 h LEU 13 N -0.37 -0.11 -0.82 1.67 5.85 -0.98 -0.87 115.31 119.67 2qq4 h LEU 13 Ca -0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2qq4 h LEU 13 Cb 0.31 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2qq4 h LEU 13 CO 0.03 -0.02 0.50 -0.78 -0.34 0.00 0.00 178.44 177.83 2qq4 h ASP 14 N 0.15 0.99 1.05 1.25 -0.00 -0.80 -1.26 116.42 117.79 2qq4 h ASP 14 Ca 0.21 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.03 57.07 2qq4 h ASP 14 Cb 0.29 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.35 2qq4 h ASP 14 CO -0.32 0.76 -0.52 0.45 -0.00 0.00 0.00 179.24 179.61 2qq4 h HIS 15 N 1.13 0.00 0.07 0.28 3.86 -0.76 -0.73 115.15 118.99 2qq4 h HIS 15 Ca 0.29 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.27 2qq4 h HIS 15 Cb -0.05 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.45 2qq4 h HIS 15 CO -0.00 0.52 -0.97 -0.92 0.86 0.00 0.00 177.93 177.41 2qq4 h TYR 16 N 0.00 0.85 0.05 2.45 3.20 -0.92 -2.48 116.97 120.12 2qq4 h TYR 16 Ca -0.01 -0.51 -0.23 0.00 3.14 0.00 0.00 58.73 61.13 2qq4 h TYR 16 Cb 1.18 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2qq4 h TYR 16 CO 0.00 1.35 -1.04 1.96 -1.64 0.00 0.00 178.16 178.79 2qq4 h GLN 17 N 0.11 0.17 -2.08 1.82 4.20 -1.26 -3.38 115.11 114.70 2qq4 h GLN 17 Ca -0.14 -0.25 -0.56 0.00 0.06 0.00 0.00 58.65 57.76 2qq4 h GLN 17 Cb 1.67 0.09 -0.40 0.00 0.30 0.00 0.00 27.48 29.13 2qq4 h GLN 17 CO 0.19 1.06 -0.94 0.43 -0.67 0.00 0.00 178.83 178.90 2qq4 n SER 18 N -3.53 1.62 -4.76 1.46 7.64 -0.28 -5.10 113.62 110.68 2qq4 n SER 18 Ca -0.04 -3.03 -0.41 0.00 1.01 0.00 0.00 58.87 56.39 2qq4 n SER 18 Cb 0.92 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.94 2.62 -2.81 1.43 -0.04 -0.93 -4.59 135.00 131.62 2qq4 n PRO 19 Ca 0.25 0.92 -0.32 0.00 -0.04 0.00 0.00 63.50 64.32 2qq4 n PRO 19 Cb 0.50 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.93 -1.57 0.54 3.00 -1.26 -4.14 118.95 117.87 2qq4 s ARG 20 Ca 0.57 0.72 -0.13 0.00 0.00 0.00 0.00 55.73 56.89 2qq4 s ARG 20 Cb -0.49 -2.31 0.10 0.00 0.00 0.00 0.00 34.95 32.24 2qq4 s ARG 20 CO 0.59 -0.05 0.81 0.09 0.00 0.00 0.00 175.30 176.74 2qq4 n ASN 21 N -1.06 -3.31 -4.50 0.23 3.02 -1.26 -4.68 115.26 103.71 2qq4 n ASN 21 Ca 0.04 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 2qq4 n ASN 21 Cb 0.54 -3.32 -0.10 0.00 -0.61 0.00 0.00 39.78 36.28 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 -3.42 3.23 0.00 3.10 5.36 -1.26 -1.08 117.98 123.91 2qq4 s PHE 22 Ca 0.56 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2qq4 s PHE 22 Cb -0.29 -2.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.85 2qq4 s PHE 22 CO 0.88 -0.47 0.00 0.41 -1.46 0.00 0.00 175.22 174.58 2qq4 n GLY 23 N 5.12 0.74 3.75 13.12 0.00 -0.60 -4.95 105.19 122.37 2qq4 n GLY 23 Ca -0.12 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.90 3.94 -0.50 1.61 1.01 -1.26 -4.03 120.40 119.28 2qq4 s VAL 24 Ca 0.00 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 63.84 2qq4 s VAL 24 Cb 0.00 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.26 2qq4 s VAL 24 CO 0.00 0.47 0.37 -0.22 0.00 0.00 0.00 175.10 175.72 2qq4 s LEU 25 N -1.22 5.75 0.17 3.92 2.96 -1.26 -4.99 118.68 124.01 2qq4 s LEU 25 Ca 0.42 -1.98 -0.23 0.00 -0.22 0.00 0.00 54.13 52.12 2qq4 s LEU 25 Cb -0.27 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 44.47 2qq4 s LEU 25 CO 0.34 -0.69 1.59 -0.65 -1.32 0.00 0.00 176.35 175.62 2qq4 h PRO 26 N 8.39 -0.21 -0.65 0.98 0.11 -2.01 -2.03 132.00 136.58 2qq4 h PRO 26 Ca -0.20 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2qq4 h PRO 26 Cb 1.07 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qq4 h PRO 26 CO 0.86 -0.14 0.00 1.04 -0.21 0.00 0.00 178.00 179.55 2qq4 n GLN 27 N -5.42 1.35 -1.58 1.05 3.00 -1.26 -4.95 117.38 109.57 2qq4 n GLN 27 Ca 0.02 -0.33 -0.51 0.00 -0.01 0.00 0.00 57.00 56.17 2qq4 n GLN 27 Cb 0.35 -1.40 -0.05 0.00 0.00 0.00 0.00 30.24 29.13 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qq4 n ALA 28 N -0.05 -1.10 0.06 -1.58 0.00 -0.77 -4.77 120.51 112.30 2qq4 n ALA 28 Ca 0.03 0.50 -0.22 0.00 0.00 0.00 0.00 53.44 53.74 2qq4 n ALA 28 Cb 0.25 -2.03 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 2qq4 n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qq4 h THR 29 N 2.99 1.09 -4.12 0.00 2.02 -0.73 -3.48 112.91 110.67 2qq4 h THR 29 Ca -0.46 -2.51 -0.14 0.00 0.77 0.00 0.00 66.41 64.08 2qq4 h THR 29 Cb 1.35 2.85 -0.14 0.00 -1.74 0.00 0.00 68.15 70.47 2qq4 h THR 29 CO 0.73 0.79 -0.47 -0.54 0.37 0.00 0.00 175.52 176.40 2qq4 s LYS 30 N -2.53 1.04 0.24 6.66 1.02 -1.12 -5.03 119.74 120.01 2qq4 s LYS 30 Ca -0.16 -1.28 -0.21 0.00 0.02 0.00 0.00 55.97 54.34 2qq4 s LYS 30 Cb 0.04 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.70 2qq4 s LYS 30 CO 0.84 -0.34 0.66 1.14 -0.92 0.00 0.00 175.35 176.73 2qq4 s GLN 31 N -4.00 1.61 -0.16 1.68 0.00 -1.26 -1.68 119.66 115.85 2qq4 s GLN 31 Ca 0.20 -0.85 -0.28 0.00 -0.00 0.00 0.00 55.36 54.43 2qq4 s GLN 31 Cb 0.05 0.59 0.09 0.00 0.00 0.00 0.00 33.01 33.75 2qq4 s GLN 31 CO 0.00 -0.73 0.81 0.00 0.00 0.00 0.00 175.29 175.38 2qq4 s ALA 32 N -3.87 -1.84 0.12 2.60 0.00 -0.48 -4.51 121.76 113.78 2qq4 s ALA 32 Ca 0.08 1.64 0.07 0.00 0.00 0.00 0.00 51.96 53.76 2qq4 s ALA 32 Cb -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2qq4 s ALA 32 CO 0.01 -0.33 -0.08 0.20 0.00 0.00 0.00 175.76 175.56 2qq4 s GLY 33 N -0.56 1.79 0.06 0.00 0.00 -1.26 -0.59 107.32 106.75 2qq4 s GLY 33 Ca -0.04 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.42 2qq4 s GLY 33 CO 0.03 -1.27 -0.10 -0.32 0.00 0.00 0.00 173.10 171.44 2qq4 s GLY 34 N -2.41 0.63 -0.09 0.20 0.00 0.69 -4.85 107.32 101.50 2qq4 s GLY 34 Ca 0.23 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.99 2qq4 s GLY 34 CO 0.15 -0.93 0.23 -0.29 0.00 0.00 0.00 173.10 172.26 2qq4 s MET 35 N -1.80 0.26 -0.73 2.90 1.75 -1.26 -1.38 119.30 119.04 2qq4 s MET 35 Ca -0.06 0.33 -0.12 0.00 -1.25 0.00 0.00 55.69 54.59 2qq4 s MET 35 Cb -0.09 0.12 0.19 0.00 2.84 0.00 0.00 34.83 37.89 2qq4 s MET 35 CO 0.01 -0.04 0.64 -0.80 -0.65 0.00 0.00 175.02 174.18 2qq4 s ASN 36 N 0.18 6.36 0.41 1.11 0.02 -0.07 -4.95 114.94 118.00 2qq4 s ASN 36 Ca -0.01 -2.52 0.27 0.00 -1.02 0.00 0.00 52.86 49.58 2qq4 s ASN 36 Cb -0.02 -2.14 1.40 0.00 0.02 0.00 0.00 41.25 40.51 2qq4 s ASN 36 CO -0.00 -0.59 1.60 -0.65 0.02 0.00 0.00 177.10 177.48 2qq4 h PRO 37 N 7.88 0.06 0.00 -0.60 0.11 -1.96 -1.24 132.00 136.26 2qq4 h PRO 37 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qq4 h PRO 37 Cb 1.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2qq4 h PRO 37 CO 0.80 0.04 -0.36 -1.13 -0.21 0.00 0.00 178.00 177.14 2qq4 n SER 38 N -4.87 1.28 0.20 -2.05 3.41 -1.26 -4.27 113.62 106.06 2qq4 n SER 38 Ca 0.38 0.53 0.18 0.00 -0.26 0.00 0.00 58.87 59.69 2qq4 n SER 38 Cb 1.39 -0.77 0.76 0.00 -0.26 0.00 0.00 64.21 65.33 2qq4 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qq4 n GLY 40 N -1.37 0.73 3.75 0.00 0.00 -0.47 -4.86 105.19 102.97 2qq4 n GLY 40 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.42 7.32 0.00 1.61 1.01 -1.22 -4.70 116.67 118.26 2qq4 s ASP 41 Ca 0.00 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.45 2qq4 s ASP 41 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2qq4 s ASP 41 CO 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 175.17 175.26 2qq4 s GLN 42 N -1.19 0.06 0.02 8.23 -2.07 -0.67 -0.89 119.66 123.15 2qq4 s GLN 42 Ca 0.45 -0.11 -0.07 0.00 -1.82 0.00 0.00 55.36 53.82 2qq4 s GLN 42 Cb -0.31 0.01 -0.00 0.00 -1.09 0.00 0.00 33.01 31.62 2qq4 s GLN 42 CO 0.39 -0.01 0.13 0.54 -1.32 0.00 0.00 175.29 175.02 2qq4 s VAL 43 N -0.24 0.11 -0.04 3.63 0.11 -0.48 -2.41 120.40 121.08 2qq4 s VAL 43 Ca -0.03 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 2qq4 s VAL 43 Cb -0.02 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2qq4 s VAL 43 CO -0.00 -0.48 -0.03 -0.70 -3.33 0.00 0.00 175.10 170.55 2qq4 s GLU 44 N -2.02 0.65 -0.11 1.54 2.12 0.08 -0.23 118.70 120.72 2qq4 s GLU 44 Ca -0.10 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.20 2qq4 s GLU 44 Cb -0.04 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 2qq4 s GLU 44 CO -0.02 -0.09 -0.17 0.08 -0.54 0.00 0.00 175.26 174.53 2qq4 s VAL 45 N 0.90 2.74 -0.07 3.70 1.01 0.24 -1.10 120.40 127.82 2qq4 s VAL 45 Ca -0.11 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2qq4 s VAL 45 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2qq4 s VAL 45 CO -0.00 0.54 -0.24 -0.04 0.00 0.00 0.00 175.10 175.36 2qq4 s MET 46 N 0.27 2.56 -0.00 2.72 -1.94 -0.26 -1.38 119.30 121.27 2qq4 s MET 46 Ca -0.12 -0.85 0.06 0.00 -1.71 0.00 0.00 55.69 53.07 2qq4 s MET 46 Cb -0.16 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 2qq4 s MET 46 CO 0.06 0.31 -0.18 0.14 -0.01 0.00 0.00 175.02 175.34 2qq4 s VAL 47 N 0.00 1.41 -0.29 -6.03 -7.23 -0.68 -1.19 120.40 106.39 2qq4 s VAL 47 Ca -0.08 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.21 2qq4 s VAL 47 Cb -0.15 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2qq4 s VAL 47 CO 0.05 0.35 0.09 -0.22 -0.31 0.00 0.00 175.10 175.06 2qq4 s LEU 48 N -0.53 3.82 -0.12 1.32 2.96 -0.02 0.06 118.68 126.16 2qq4 s LEU 48 Ca 0.07 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 2qq4 s LEU 48 Cb -0.07 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2qq4 s LEU 48 CO -0.00 -0.17 0.09 -0.76 -1.32 0.00 0.00 176.35 174.18 2qq4 s LEU 49 N 1.52 4.08 -0.35 -0.68 1.43 -1.26 -1.06 118.68 122.36 2qq4 s LEU 49 Ca 0.03 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2qq4 s LEU 49 Cb -0.17 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.18 2qq4 s LEU 49 CO 0.03 0.36 0.15 -1.61 0.23 0.00 0.00 176.35 175.51 2qq4 s GLU 50 N -0.73 0.86 6.53 1.70 2.02 -0.51 -4.91 118.70 123.67 2qq4 s GLU 50 Ca 0.13 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.74 2qq4 s GLU 50 Cb -0.12 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2qq4 s GLU 50 CO 0.03 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.65 2qq4 n GLY 51 N 4.38 0.93 1.08 -1.39 0.00 -1.26 -2.22 105.19 106.71 2qq4 n GLY 51 Ca 0.03 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 7.24 3.84 -4.78 1.61 3.85 -1.26 -4.96 116.55 122.09 2qq4 n ASP 52 Ca 0.00 -2.35 -0.36 0.00 -0.71 0.00 0.00 54.79 51.37 2qq4 n ASP 52 Cb 0.00 -0.44 -0.07 0.00 -1.35 0.00 0.00 41.12 39.26 2qq4 n ASP 52 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2qq4 s THR 53 N -1.65 5.29 -0.85 2.12 2.01 -0.94 0.00 115.64 121.62 2qq4 s THR 53 Ca 0.39 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 2qq4 s THR 53 Cb 0.25 -3.35 0.05 0.00 0.01 0.00 0.00 72.50 69.45 2qq4 s THR 53 CO 0.19 0.53 1.30 -0.63 -0.69 0.00 0.00 174.62 175.32 2qq4 s ILE 54 N -0.30 3.93 0.19 1.82 1.01 -0.01 -1.42 121.20 126.42 2qq4 s ILE 54 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 2qq4 s ILE 54 Cb -0.12 -4.94 0.01 0.00 0.01 0.00 0.00 42.46 37.43 2qq4 s ILE 54 CO 0.01 -1.82 1.59 0.00 0.00 0.00 0.00 174.94 174.71 2qq4 h ALA 55 N 9.81 0.79 -2.66 9.38 0.00 -1.40 0.35 119.26 135.53 2qq4 h ALA 55 Ca -0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2qq4 h ALA 55 Cb 1.03 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2qq4 h ALA 55 CO 1.32 0.65 -0.10 0.34 0.00 0.00 0.00 179.25 181.46 2qq4 s ASP 56 N -6.77 -0.24 -0.22 0.00 3.68 -1.14 -4.48 116.67 107.50 2qq4 s ASP 56 Ca -0.10 -0.21 -0.21 0.00 2.13 0.00 0.00 52.55 54.16 2qq4 s ASP 56 Cb 0.13 0.45 0.06 0.00 -1.45 0.00 0.00 42.92 42.10 2qq4 s ASP 56 CO 0.85 -0.78 0.61 -0.51 0.13 0.00 0.00 175.17 175.47 2qq4 s ILE 57 N -3.31 0.00 0.13 4.11 2.07 -1.26 -0.84 121.20 122.11 2qq4 s ILE 57 Ca -0.00 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2qq4 s ILE 57 Cb 0.01 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 2qq4 s ILE 57 CO -0.08 -0.00 0.13 -0.13 -1.91 0.00 0.00 174.94 172.94 2qq4 s ARG 58 N 0.27 0.97 0.08 3.50 0.52 -0.33 -4.85 118.95 119.10 2qq4 s ARG 58 Ca -0.00 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 2qq4 s ARG 58 Cb -0.04 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 2qq4 s ARG 58 CO 0.01 -0.30 -0.06 -0.59 0.02 0.00 0.00 175.30 174.38 2qq4 s PHE 59 N -4.00 0.78 0.09 -0.53 -0.12 -0.24 -1.10 117.98 112.86 2qq4 s PHE 59 Ca 0.19 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 2qq4 s PHE 59 Cb 0.06 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2qq4 s PHE 59 CO -0.01 -0.18 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.27 2qq4 s GLN 60 N -3.50 0.81 0.00 1.99 -1.52 -0.26 -1.56 119.66 115.62 2qq4 s GLN 60 Ca 0.07 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 2qq4 s GLN 60 Cb 0.03 -0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.64 2qq4 s GLN 60 CO -0.05 -0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.38 2qq4 n GLY 61 N 0.03 1.06 3.15 3.09 0.00 -1.26 -0.75 105.19 110.51 2qq4 n GLY 61 Ca -0.13 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2qq4 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qq4 s GLN 62 N -1.38 0.67 0.00 1.61 -1.52 -1.01 -5.01 119.66 113.02 2qq4 s GLN 62 Ca 0.00 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2qq4 s GLN 62 Cb 0.00 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 33.06 2qq4 s GLN 62 CO 0.00 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 2qq4 n GLY 63 N 0.52 -1.04 3.76 3.09 0.00 -1.26 -1.67 105.19 108.59 2qq4 n GLY 63 Ca -0.18 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.19 1.26 -0.43 0.00 0.00 -2.00 -2.05 119.26 114.85 2qq4 h ALA 65 Ca -0.45 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qq4 h ALA 65 Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2qq4 h ALA 65 CO 0.53 -0.02 0.27 0.82 0.00 0.00 0.00 179.25 180.85 2qq4 h ILE 66 N 0.69 1.13 -0.56 0.00 2.04 -1.92 -1.47 117.51 117.42 2qq4 h ILE 66 Ca 0.45 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 2qq4 h ILE 66 Cb 0.56 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2qq4 h ILE 66 CO -0.32 0.13 0.07 0.77 0.00 0.00 0.00 178.15 178.79 2qq4 h SER 67 N 0.57 0.88 0.02 1.72 4.64 -1.45 -0.37 113.55 119.55 2qq4 h SER 67 Ca 0.16 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qq4 h SER 67 Cb -0.03 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2qq4 h SER 67 CO -0.03 0.90 -0.01 0.74 -0.87 0.00 0.00 176.83 177.56 2qq4 h THR 68 N 0.87 1.23 -0.51 2.95 2.02 -1.24 -1.23 112.91 116.99 2qq4 h THR 68 Ca 0.17 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.64 2qq4 h THR 68 Cb 0.42 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2qq4 h THR 68 CO 0.01 0.19 0.31 0.00 0.37 0.00 0.00 175.52 176.40 2qq4 h ALA 69 N 0.64 0.66 -0.45 6.16 0.00 -1.19 -0.30 119.26 124.78 2qq4 h ALA 69 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qq4 h ALA 69 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qq4 h ALA 69 CO 0.00 0.03 0.28 1.03 0.00 0.00 0.00 179.25 180.59 2qq4 h SER 70 N 0.62 0.54 -0.71 0.00 0.87 -0.97 -0.21 113.55 113.70 2qq4 h SER 70 Ca 0.20 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2qq4 h SER 70 Cb 0.01 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2qq4 h SER 70 CO -0.09 0.43 0.35 0.00 -0.53 0.00 0.00 176.83 176.99 2qq4 h ALA 71 N 1.13 0.91 0.18 6.23 0.00 -0.78 0.01 119.26 126.94 2qq4 h ALA 71 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qq4 h ALA 71 Cb -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qq4 h ALA 71 CO -0.03 0.47 -0.11 1.03 0.00 0.00 0.00 179.25 180.60 2qq4 h SER 72 N 0.99 -0.29 -0.73 0.00 0.87 -0.60 -1.68 113.55 112.10 2qq4 h SER 72 Ca 0.24 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2qq4 h SER 72 Cb 0.11 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 2qq4 h SER 72 CO -0.03 -0.18 0.47 -0.07 -0.53 0.00 0.00 176.83 176.48 2qq4 h LEU 73 N -0.29 0.86 -0.01 2.23 3.38 -0.81 -2.46 115.31 118.21 2qq4 h LEU 73 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qq4 h LEU 73 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qq4 h LEU 73 CO 0.01 0.64 0.01 -0.03 0.09 0.00 0.00 178.44 179.15 2qq4 h MET 74 N 1.00 0.02 -0.89 1.13 4.05 -0.68 -0.97 114.93 118.59 2qq4 h MET 74 Ca 0.27 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.73 2qq4 h MET 74 Cb -0.08 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.66 2qq4 h MET 74 CO -0.05 0.13 0.57 1.79 0.23 0.00 0.00 176.91 179.57 2qq4 h THR 75 N -0.10 1.10 -0.65 -0.77 1.35 -0.96 -1.46 112.91 111.42 2qq4 h THR 75 Ca 0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 66.41 65.44 2qq4 h THR 75 Cb 0.12 -0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.45 2qq4 h THR 75 CO -0.00 0.19 0.18 -0.33 -0.25 0.00 0.00 175.52 175.32 2qq4 h GLU 76 N 1.07 1.03 -0.34 4.72 5.08 -1.27 -1.80 114.58 123.06 2qq4 h GLU 76 Ca 0.37 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2qq4 h GLU 76 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2qq4 h GLU 76 CO -0.15 0.91 -0.16 0.00 -1.00 0.00 0.00 179.01 178.61 2qq4 h ALA 77 N 1.07 1.08 0.00 3.43 0.00 -0.37 -3.30 119.26 121.18 2qq4 h ALA 77 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qq4 h ALA 77 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qq4 h ALA 77 CO -0.00 0.57 -1.33 1.33 0.00 0.00 0.00 179.25 179.82 2qq4 n VAL 78 N -4.16 0.04 -1.74 0.00 0.24 -0.63 -4.86 118.33 107.22 2qq4 n VAL 78 Ca 0.01 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 2qq4 n VAL 78 Cb 0.37 0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 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 -1.85 2.65 -0.29 7.34 4.81 -0.68 -1.75 118.16 128.38 2qq4 n LYS 79 Ca 0.01 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2qq4 n LYS 79 Cb 0.43 -2.71 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 2.08 2.20 3.95 3.14 0.00 0.12 -5.02 105.19 111.65 2qq4 n GLY 80 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 3.21 0.52 1.61 -0.14 -0.72 -4.72 119.74 119.43 2qq4 s LYS 81 Ca 0.00 -0.40 -0.18 0.00 -1.36 0.00 0.00 55.97 54.03 2qq4 s LYS 81 Cb 0.00 -2.57 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 2qq4 s LYS 81 CO 0.00 -0.15 1.04 0.15 -0.76 0.00 0.00 175.35 175.62 2qq4 s LYS 82 N -4.50 3.67 0.30 1.68 1.02 -1.26 -0.83 119.74 119.81 2qq4 s LYS 82 Ca 0.46 1.25 0.05 0.00 0.02 0.00 0.00 55.97 57.75 2qq4 s LYS 82 Cb -0.10 -2.08 0.71 0.00 -0.52 0.00 0.00 37.83 35.84 2qq4 s LYS 82 CO 0.38 -0.53 1.78 0.28 -0.92 0.00 0.00 175.35 176.34 2qq4 h VAL 83 N 1.12 0.72 -0.09 3.17 2.07 -0.78 0.17 116.25 122.64 2qq4 h VAL 83 Ca -0.48 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 2qq4 h VAL 83 Cb 1.21 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2qq4 h VAL 83 CO 0.59 0.14 -0.38 0.00 0.02 0.00 0.00 177.57 177.94 2qq4 h ALA 84 N 1.63 1.20 -0.01 1.67 0.00 -1.92 -2.13 119.26 119.71 2qq4 h ALA 84 Ca 0.57 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2qq4 h ALA 84 Cb 0.85 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qq4 h ALA 84 CO -0.38 0.55 -0.71 0.93 0.00 0.00 0.00 179.25 179.64 2qq4 h GLU 85 N 0.15 0.07 -0.28 0.00 5.08 -1.37 -2.53 114.58 115.71 2qq4 h GLU 85 Ca 0.02 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2qq4 h GLU 85 Cb 0.75 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qq4 h GLU 85 CO 0.06 0.75 -0.54 0.00 -1.00 0.00 0.00 179.01 178.27 2qq4 h ALA 86 N 1.23 0.49 -0.12 3.43 0.00 -1.01 -1.97 119.26 121.32 2qq4 h ALA 86 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2qq4 h ALA 86 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2qq4 h ALA 86 CO 0.10 0.68 -0.33 -0.07 0.00 0.00 0.00 179.25 179.63 2qq4 h LEU 87 N 0.66 0.25 -0.31 0.00 3.38 -1.35 -0.70 115.31 117.24 2qq4 h LEU 87 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2qq4 h LEU 87 Cb 1.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2qq4 h LEU 87 CO 0.12 0.57 -0.18 -0.33 0.09 0.00 0.00 178.44 178.71 2qq4 h GLU 88 N 0.21 0.67 -0.52 1.13 4.39 -1.32 -1.11 114.58 118.03 2qq4 h GLU 88 Ca 0.03 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.43 2qq4 h GLU 88 Cb 0.69 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2qq4 h GLU 88 CO 0.05 0.90 0.34 -0.07 -1.16 0.00 0.00 179.01 179.07 2qq4 h LEU 89 N 0.42 0.58 -0.69 1.33 3.38 -1.06 -0.07 115.31 119.20 2qq4 h LEU 89 Ca 0.07 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qq4 h LEU 89 Cb 0.72 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2qq4 h LEU 89 CO 0.05 0.41 0.43 -1.28 0.09 0.00 0.00 178.44 178.15 2qq4 h SER 90 N 0.69 0.71 -0.56 -0.43 0.87 -0.96 0.21 113.55 114.07 2qq4 h SER 90 Ca 0.20 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2qq4 h SER 90 Cb -0.05 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2qq4 h SER 90 CO -0.06 0.49 0.28 -0.09 -0.53 0.00 0.00 176.83 176.92 2qq4 h ARG 91 N 0.84 0.80 -0.53 2.24 2.43 -0.65 -1.12 114.38 118.40 2qq4 h ARG 91 Ca 0.28 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2qq4 h ARG 91 Cb 0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2qq4 h ARG 91 CO -0.11 0.65 -0.09 0.87 -1.51 0.00 0.00 179.97 179.78 2qq4 h LYS 92 N 0.76 0.99 -0.39 0.20 1.57 -0.32 -0.97 116.57 118.40 2qq4 h LYS 92 Ca 0.19 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2qq4 h LYS 92 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2qq4 h LYS 92 CO -0.03 1.04 0.20 0.35 -0.57 0.00 0.00 179.45 180.44 2qq4 h PHE 93 N 0.86 0.55 -0.32 -1.35 3.57 -0.41 -1.42 116.94 118.42 2qq4 h PHE 93 Ca 0.14 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 2qq4 h PHE 93 Cb 0.65 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2qq4 h PHE 93 CO 0.05 0.44 -0.19 1.96 -2.23 0.00 0.00 178.31 178.33 2qq4 h GLN 94 N 0.50 0.59 -0.83 1.11 4.20 -1.09 -1.49 115.11 118.10 2qq4 h GLN 94 Ca 0.14 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2qq4 h GLN 94 Cb 0.08 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2qq4 h GLN 94 CO -0.02 0.75 0.45 0.00 -0.67 0.00 0.00 178.83 179.34 2qq4 h ALA 95 N 1.27 1.21 0.16 3.87 0.00 -0.82 0.50 119.26 125.45 2qq4 h ALA 95 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qq4 h ALA 95 Cb 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qq4 h ALA 95 CO 0.04 0.63 -0.08 1.98 0.00 0.00 0.00 179.25 181.83 2qq4 h MET 96 N 1.17 -0.21 0.00 0.00 1.85 -0.64 -0.62 114.93 116.48 2qq4 h MET 96 Ca 0.29 0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 59.22 2qq4 h MET 96 Cb 0.04 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 2qq4 h MET 96 CO -0.05 0.11 -1.25 -0.39 -0.40 0.00 0.00 176.91 174.93 2qq4 h VAL 97 N -0.54 0.69 0.01 -5.77 -1.51 -1.19 -2.99 116.25 104.96 2qq4 h VAL 97 Ca -0.02 -2.22 -0.30 0.00 -1.23 0.00 0.00 66.70 62.92 2qq4 h VAL 97 Cb 0.41 2.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 2qq4 h VAL 97 CO 0.04 0.40 -1.66 0.52 -1.23 0.00 0.00 177.57 175.64 2qq4 n VAL 98 N -3.00 1.55 0.62 7.19 0.31 0.17 -4.31 118.33 120.86 2qq4 n VAL 98 Ca -0.08 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.20 2qq4 n VAL 98 Cb 0.85 -1.96 0.19 0.00 -0.91 0.00 0.00 33.84 32.01 2qq4 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qq4 n GLU 99 N -4.29 0.26 -1.89 5.55 1.02 -0.99 -4.94 120.64 115.36 2qq4 n GLU 99 Ca -0.38 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.73 2qq4 n GLU 99 Cb 0.77 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 2qq4 n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qq4 n GLY 100 N 1.36 0.36 3.77 0.62 0.00 -0.61 -5.00 105.19 105.69 2qq4 n GLY 100 Ca 0.04 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.47 2.20 -0.19 4.61 0.00 -0.34 -4.89 121.76 120.68 2qq4 s ALA 101 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 2qq4 s ALA 101 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2qq4 s ALA 101 CO 0.00 -1.79 2.08 -2.30 0.00 0.00 0.00 175.76 173.76 2qq4 n PRO 102 N -3.52 1.89 -1.62 0.00 -0.02 -1.26 -4.55 135.00 125.91 2qq4 n PRO 102 Ca 0.08 0.60 -0.54 0.00 -2.02 0.00 0.00 63.50 61.62 2qq4 n PRO 102 Cb 0.54 -2.83 -0.07 0.00 -0.02 0.00 0.00 33.50 31.12 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 7.84 1.05 -2.42 0.52 -0.02 -1.26 -4.87 135.00 135.83 2qq4 n PRO 103 Ca 0.30 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2qq4 n PRO 103 Cb 0.34 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.40 6.95 0.44 2.55 -1.08 -1.26 -4.91 116.67 120.76 2qq4 s ASP 104 Ca 0.89 1.72 0.26 0.00 -0.52 0.00 0.00 52.55 54.90 2qq4 s ASP 104 Cb -1.02 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 39.20 2qq4 s ASP 104 CO 0.54 -0.75 1.73 -0.65 0.52 0.00 0.00 175.17 176.56 2qq4 h PRO 105 N 8.15 0.21 0.00 4.34 0.11 -2.00 -1.05 132.00 141.76 2qq4 h PRO 105 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2qq4 h PRO 105 Cb 1.11 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qq4 h PRO 105 CO 0.96 0.14 0.00 -2.37 -0.21 0.00 0.00 178.00 176.52 2qq4 n THR 106 N -4.54 1.01 0.20 -1.15 5.66 -1.26 -2.24 114.28 111.96 2qq4 n THR 106 Ca 0.29 0.25 0.08 0.00 -3.05 0.00 0.00 64.05 61.63 2qq4 n THR 106 Cb 1.14 -1.16 0.35 0.00 -1.55 0.00 0.00 70.33 69.11 2qq4 n THR 106 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2qq4 h LEU 107 N 0.00 0.00 0.00 1.09 3.38 -1.58 -3.48 115.31 114.71 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qq4 h LEU 107 CO 0.00 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2qq4 n GLY 108 N 0.43 3.45 0.34 0.83 0.00 -0.95 -1.91 105.19 107.38 2qq4 n GLY 108 Ca 0.01 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.12 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 0.19 0.00 0.58 1.61 3.32 -1.93 0.54 116.42 120.73 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 -1.98 1.55 3.38 -1.75 -1.86 115.31 114.65 2qq4 h LEU 110 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qq4 h LEU 110 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 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 -2.56 1.67 3.38 -1.06 -1.71 115.31 115.03 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 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 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 1.15 -0.23 1.53 0.00 -1.54 -1.50 119.26 120.68 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 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qq4 h ALA 112 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2qq4 n LEU 113 N -3.32 2.72 -0.31 0.00 4.77 -0.64 -4.44 117.00 115.77 2qq4 n LEU 113 Ca -0.02 -1.09 0.21 0.00 -0.03 0.00 0.00 56.01 55.08 2qq4 n LEU 113 Cb 0.12 -0.14 0.49 0.00 -2.33 0.00 0.00 43.42 41.57 2qq4 n LEU 113 CO 0.24 0.55 1.22 -0.61 -1.33 0.00 0.00 177.39 177.45 2qq4 h GLN 114 N 3.73 0.41 0.00 3.23 4.15 -1.42 -0.13 115.11 125.09 2qq4 h GLN 114 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2qq4 h GLN 114 Cb 0.81 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 2qq4 h GLN 114 CO 0.00 0.27 -0.01 0.78 -1.93 0.00 0.00 178.83 177.94 2qq4 h GLY 115 N 0.43 0.00 2.00 2.39 0.00 -1.81 -2.54 103.07 103.54 2qq4 h GLY 115 Ca 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 2qq4 h GLY 115 CO -0.28 0.00 -0.01 -0.24 0.00 0.00 0.00 176.54 176.00 2qq4 h VAL 116 N 0.00 0.21 -0.00 4.60 3.04 -1.35 -1.73 116.25 121.01 2qq4 h VAL 116 Ca -0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2qq4 h VAL 116 Cb 0.19 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2qq4 h VAL 116 CO 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 2qq4 h ALA 117 N 1.99 1.60 -0.00 3.17 0.00 -1.64 -0.00 119.26 124.38 2qq4 h ALA 117 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qq4 h ALA 117 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qq4 h ALA 117 CO 0.00 -0.01 -0.03 1.63 0.00 0.00 0.00 179.25 180.85 2qq4 n LYS 118 N -3.95 0.40 -3.66 0.00 4.76 -0.65 -4.16 118.16 110.90 2qq4 n LYS 118 Ca -0.03 -0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.10 2qq4 n LYS 118 Cb 0.09 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.67 2qq4 n LYS 118 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qq4 n LEU 119 N -1.27 2.55 -0.34 -0.35 4.77 -0.01 -4.99 117.00 117.35 2qq4 n LEU 119 Ca 0.13 -5.13 0.08 0.00 -0.03 0.00 0.00 56.01 51.06 2qq4 n LEU 119 Cb 0.26 -0.46 0.18 0.00 -2.33 0.00 0.00 43.42 41.07 2qq4 n LEU 119 CO 0.24 1.87 0.71 -0.65 -1.33 0.00 0.00 177.39 178.23 2qq4 h PRO 120 N 5.00 0.00 0.00 3.23 0.11 -1.73 0.12 132.00 138.74 2qq4 h PRO 120 Ca 0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qq4 h PRO 120 Cb 0.76 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2qq4 h PRO 120 CO 0.69 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.47 2qq4 h ALA 121 N 1.96 1.03 -0.02 -0.75 0.00 -1.94 -2.39 119.26 117.15 2qq4 h ALA 121 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qq4 h ALA 121 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qq4 h ALA 121 CO -0.97 0.01 -0.35 0.54 0.00 0.00 0.00 179.25 178.48 2qq4 n ARG 122 N -3.13 1.52 -0.11 0.00 1.74 0.01 -4.39 116.66 112.30 2qq4 n ARG 122 Ca -0.02 -1.26 0.09 0.00 -0.77 0.00 0.00 57.85 55.90 2qq4 n ARG 122 Cb 0.16 -1.47 0.43 0.00 -1.02 0.00 0.00 32.46 30.56 2qq4 n ARG 122 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qq4 h VAL 123 N 3.06 0.97 0.00 1.55 2.07 -1.25 -0.59 116.25 122.06 2qq4 h VAL 123 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2qq4 h VAL 123 Cb 0.83 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2qq4 h VAL 123 CO 0.00 0.10 -0.13 0.07 0.02 0.00 0.00 177.57 177.63 2qq4 h LYS 124 N 0.56 0.00 -0.07 1.57 2.10 -1.78 -1.33 116.57 117.63 2qq4 h LYS 124 Ca 0.28 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.83 2qq4 h LYS 124 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2qq4 h LYS 124 CO -0.08 0.13 -0.42 0.00 -2.00 0.00 0.00 179.45 177.08 2qq4 h ALA 126 N 1.45 0.14 0.00 0.00 0.00 -1.27 -3.29 119.26 116.30 2qq4 h ALA 126 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2qq4 h ALA 126 Cb 0.80 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qq4 h ALA 126 CO 0.06 1.01 -0.41 1.79 0.00 0.00 0.00 179.25 181.71 2qq4 h THR 127 N 0.08 0.00 -0.62 0.00 1.35 -1.34 -3.39 112.91 108.99 2qq4 h THR 127 Ca -0.20 -0.80 0.11 0.00 -0.55 0.00 0.00 66.41 64.97 2qq4 h THR 127 Cb 2.02 1.57 -0.12 0.00 -1.73 0.00 0.00 68.15 69.89 2qq4 h THR 127 CO 0.19 0.00 -0.34 0.25 -0.25 0.00 0.00 175.52 175.38 2qq4 h LEU 128 N 0.00 -1.18 -1.52 3.87 5.85 -1.54 0.92 115.31 121.71 2qq4 h LEU 128 Ca 0.00 0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2qq4 h LEU 128 Cb 0.90 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2qq4 h LEU 128 CO 0.00 -0.30 0.34 0.00 -0.34 0.00 0.00 178.44 178.14 2qq4 h ALA 129 N 1.03 1.69 -0.11 1.25 0.00 -1.84 -2.06 119.26 119.22 2qq4 h ALA 129 Ca 0.24 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2qq4 h ALA 129 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qq4 h ALA 129 CO -0.70 0.26 -0.59 -1.49 0.00 0.00 0.00 179.25 176.73 2qq4 h TRP 130 N 0.64 0.47 -0.14 0.00 4.06 -1.12 -1.39 115.95 118.46 2qq4 h TRP 130 Ca 0.20 -0.18 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 2qq4 h TRP 130 Cb 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 2qq4 h TRP 130 CO -0.00 0.87 -0.48 0.45 -3.56 0.00 0.00 178.44 175.72 2qq4 h HIS 131 N 0.27 0.44 -0.41 0.49 3.86 -0.58 -1.13 115.15 118.09 2qq4 h HIS 131 Ca -0.00 -0.14 -0.14 0.00 -1.16 0.00 0.00 60.37 58.92 2qq4 h HIS 131 Cb 1.12 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2qq4 h HIS 131 CO 0.03 0.78 -0.30 0.00 0.86 0.00 0.00 177.93 179.30 2qq4 h ALA 132 N 1.20 0.68 0.33 2.45 0.00 -1.24 -1.69 119.26 120.98 2qq4 h ALA 132 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2qq4 h ALA 132 Cb 0.96 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qq4 h ALA 132 CO 0.08 0.67 -0.19 1.25 0.00 0.00 0.00 179.25 181.06 2qq4 h LEU 133 N 0.77 -0.47 -0.83 0.00 5.85 -0.93 -1.23 115.31 118.48 2qq4 h LEU 133 Ca 0.08 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2qq4 h LEU 133 Cb 0.87 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2qq4 h LEU 133 CO 0.08 -0.31 0.47 -0.33 -0.34 0.00 0.00 178.44 178.00 2qq4 h GLU 134 N -0.50 0.74 -0.56 1.25 5.08 -1.11 -0.18 114.58 119.30 2qq4 h GLU 134 Ca -0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2qq4 h GLU 134 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2qq4 h GLU 134 CO 0.05 0.49 0.16 1.49 -1.00 0.00 0.00 179.01 180.20 2qq4 h GLU 135 N 0.76 0.88 -0.53 2.33 4.81 -1.07 -1.67 114.58 120.09 2qq4 h GLU 135 Ca 0.41 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2qq4 h GLU 135 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2qq4 h GLU 135 CO -0.27 0.81 0.14 0.00 -0.73 0.00 0.00 179.01 178.96 2qq4 h ALA 136 N 1.03 1.25 -0.00 2.92 0.00 -0.35 -2.48 119.26 121.64 2qq4 h ALA 136 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 136 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qq4 h ALA 136 CO -0.00 0.53 -0.05 1.28 0.00 0.00 0.00 179.25 181.00 2qq4 n LEU 137 N -4.29 0.20 -0.28 0.00 4.77 -0.16 -4.56 117.00 112.68 2qq4 n LEU 137 Ca 0.04 0.16 0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2qq4 n LEU 137 Cb 0.22 -0.24 0.70 0.00 -2.33 0.00 0.00 43.42 41.77 2qq4 n LEU 137 CO 0.40 0.04 0.97 0.54 -1.33 0.00 0.00 177.39 178.00