#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s GLN 2 N 0.00 2.46 -0.19 3.17 -1.52 -1.26 -2.16 119.66 120.16 2qa4 s GLN 2 Ca 0.00 -0.95 -0.09 0.00 -1.95 0.00 0.00 55.36 52.37 2qa4 s GLN 2 Cb 0.00 -2.45 0.07 0.00 -0.22 0.00 0.00 33.01 30.41 2qa4 s GLN 2 CO 0.00 0.50 0.44 1.41 -0.25 0.00 0.00 175.29 177.40 2qa4 s MET 3 N -2.54 0.40 0.68 2.91 -2.45 -0.96 -4.94 119.30 112.40 2qa4 s MET 3 Ca 0.26 0.92 -0.17 0.00 -1.25 0.00 0.00 55.69 55.45 2qa4 s MET 3 Cb -0.11 0.13 0.01 0.00 1.25 0.00 0.00 34.83 36.11 2qa4 s MET 3 CO 0.18 -0.19 1.27 -0.35 1.05 0.00 0.00 175.02 176.98 2qa4 n PRO 4 N 4.66 0.93 -0.01 4.11 -0.04 -1.26 -1.79 135.00 141.60 2qa4 n PRO 4 Ca -0.18 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2qa4 n PRO 4 Cb 0.53 -2.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 2qa4 n PRO 4 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2qa4 h ARG 5 N 0.25 -0.02 -5.12 0.54 9.65 -1.73 -3.43 114.38 114.51 2qa4 h ARG 5 Ca -0.50 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 57.76 2qa4 h ARG 5 Cb 1.33 0.01 -0.33 0.00 -1.39 0.00 0.00 29.97 29.59 2qa4 h ARG 5 CO 0.52 0.51 -0.86 1.03 2.80 0.00 0.00 179.97 183.97 2qa4 s ARG 6 N -3.99 2.56 -0.11 0.20 0.52 -1.26 -0.73 118.95 116.14 2qa4 s ARG 6 Ca -0.16 -0.72 -0.18 0.00 -0.52 0.00 0.00 55.73 54.15 2qa4 s ARG 6 Cb 0.01 -1.98 0.04 0.00 0.52 0.00 0.00 34.95 33.54 2qa4 s ARG 6 CO 0.66 0.14 0.45 -0.59 0.02 0.00 0.00 175.30 175.98 2qa4 s PHE 7 N 0.41 -0.43 -0.53 -0.53 -0.12 -0.88 -4.92 117.98 110.98 2qa4 s PHE 7 Ca -0.16 0.93 -0.28 0.00 -0.05 0.00 0.00 56.93 57.37 2qa4 s PHE 7 Cb -0.17 0.19 -0.00 0.00 -0.63 0.00 0.00 43.02 42.41 2qa4 s PHE 7 CO 0.07 -0.35 1.59 -0.80 -0.05 0.00 0.00 175.22 175.69 2qa4 s ASN 8 N -0.45 5.88 0.20 1.98 0.01 -1.26 -0.62 114.94 120.68 2qa4 s ASN 8 Ca -0.06 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 2qa4 s ASN 8 Cb -0.03 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 2qa4 s ASN 8 CO 0.03 -1.87 0.03 0.28 -1.51 0.00 0.00 177.10 174.06 2qa4 s THR 9 N 6.94 0.68 0.06 1.60 -1.32 -0.48 -4.85 115.64 118.29 2qa4 s THR 9 Ca 0.61 -1.99 -0.30 0.00 -1.21 0.00 0.00 61.69 58.80 2qa4 s THR 9 Cb -0.13 -2.29 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2qa4 s THR 9 CO 0.26 -0.32 1.09 -0.47 -2.21 0.00 0.00 174.62 172.96 2qa4 s TYR 10 N -3.66 3.57 -0.16 9.09 5.04 -1.26 -2.41 117.35 127.56 2qa4 s TYR 10 Ca 0.28 1.53 -0.02 0.00 -2.44 0.00 0.00 57.07 56.42 2qa4 s TYR 10 Cb 0.06 -3.26 -0.02 0.00 0.35 0.00 0.00 41.96 39.09 2qa4 s TYR 10 CO 0.07 -0.62 -0.08 0.00 -1.34 0.00 0.00 175.55 173.59 2qa4 n PRO 12 N 3.89 0.52 -0.08 0.00 -0.04 -1.26 -2.79 135.00 135.24 2qa4 n PRO 12 Ca -0.18 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 2qa4 n PRO 12 Cb 0.52 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 2qa4 n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qa4 n HIS 13 N -0.67 0.03 0.63 0.54 8.25 -1.26 -4.61 115.22 118.14 2qa4 n HIS 13 Ca 0.04 0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 2qa4 n HIS 13 Cb 0.02 -0.49 0.33 0.00 1.12 0.00 0.00 29.99 30.98 2qa4 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qa4 n ASN 15 N -2.16 -1.65 -3.53 0.00 2.85 -1.12 -5.08 115.26 104.56 2qa4 n ASN 15 Ca 0.05 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.47 2qa4 n ASN 15 Cb 0.43 -0.48 -0.00 0.00 1.24 0.00 0.00 39.78 40.96 2qa4 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2qa4 s GLU 16 N -4.57 1.54 -0.34 1.20 -1.05 -1.22 -4.99 118.70 109.27 2qa4 s GLU 16 Ca 0.00 -0.92 -0.26 0.00 -0.15 0.00 0.00 54.97 53.64 2qa4 s GLU 16 Cb 0.00 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2qa4 s GLU 16 CO 0.00 -0.71 0.93 -1.01 0.95 0.00 0.00 175.26 175.42 2qa4 s HIS 17 N -2.98 3.13 0.34 4.83 3.76 -1.26 -2.41 115.29 120.69 2qa4 s HIS 17 Ca 0.15 0.90 0.04 0.00 -0.15 0.00 0.00 55.06 56.00 2qa4 s HIS 17 Cb -0.03 -3.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.09 2qa4 s HIS 17 CO 0.06 -0.74 0.35 -0.65 -0.85 0.00 0.00 174.74 172.90 2qa4 s GLN 18 N 3.39 1.83 -0.04 1.40 -0.21 -1.01 -4.91 119.66 120.11 2qa4 s GLN 18 Ca 0.39 -1.95 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 2qa4 s GLN 18 Cb -0.13 0.37 -0.04 0.00 1.00 0.00 0.00 33.01 34.21 2qa4 s GLN 18 CO 0.16 -0.71 1.28 -2.00 -2.12 0.00 0.00 175.29 171.90 2qa4 s GLU 19 N -3.27 4.32 -0.19 2.91 2.12 -1.26 -1.38 118.70 121.95 2qa4 s GLU 19 Ca 0.37 1.78 -0.02 0.00 0.36 0.00 0.00 54.97 57.47 2qa4 s GLU 19 Cb 0.01 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 2qa4 s GLU 19 CO 0.26 -0.50 -0.11 -1.01 -0.54 0.00 0.00 175.26 173.36 2qa4 s HIS 20 N 2.31 2.87 -0.03 5.30 3.76 0.21 -1.45 115.29 128.26 2qa4 s HIS 20 Ca 0.59 -1.09 -0.23 0.00 -0.15 0.00 0.00 55.06 54.18 2qa4 s HIS 20 Cb -0.27 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 2qa4 s HIS 20 CO 0.23 -0.56 0.67 -2.00 -0.85 0.00 0.00 174.74 172.23 2qa4 s GLU 21 N 1.19 4.41 -0.31 1.40 2.12 0.23 -2.07 118.70 125.67 2qa4 s GLU 21 Ca 0.02 0.85 -0.10 0.00 0.36 0.00 0.00 54.97 56.10 2qa4 s GLU 21 Cb -0.14 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 2qa4 s GLU 21 CO -0.04 0.21 0.15 0.08 -0.54 0.00 0.00 175.26 175.12 2qa4 s VAL 22 N 0.32 4.61 0.09 3.70 1.01 0.09 -2.00 120.40 128.22 2qa4 s VAL 22 Ca 0.35 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2qa4 s VAL 22 Cb -0.18 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2qa4 s VAL 22 CO 0.18 0.08 -0.24 -0.70 0.00 0.00 0.00 175.10 174.42 2qa4 s GLU 23 N 1.62 1.40 -0.15 2.72 2.12 -1.07 -4.89 118.70 120.44 2qa4 s GLU 23 Ca 0.05 -1.19 -0.28 0.00 0.36 0.00 0.00 54.97 53.91 2qa4 s GLU 23 Cb -0.17 -1.71 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 2qa4 s GLU 23 CO 0.06 0.42 0.94 0.15 -0.54 0.00 0.00 175.26 176.29 2qa4 s LYS 24 N -1.72 4.34 -0.21 4.30 1.02 -1.26 -2.01 119.74 124.19 2qa4 s LYS 24 Ca 0.10 1.22 -0.33 0.00 0.02 0.00 0.00 55.97 56.99 2qa4 s LYS 24 Cb -0.10 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.54 2qa4 s LYS 24 CO 0.04 -0.37 2.09 0.28 -0.92 0.00 0.00 175.35 176.47 2qa4 n VAL 25 N 4.75 0.38 -3.42 3.17 0.31 -1.18 -4.95 118.33 117.39 2qa4 n VAL 25 Ca 0.07 -0.26 -0.38 0.00 -0.01 0.00 0.00 64.34 63.77 2qa4 n VAL 25 Cb 0.48 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 2qa4 n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qa4 s ARG 26 N 5.47 4.13 0.09 5.55 0.52 -1.26 -5.01 118.95 128.44 2qa4 s ARG 26 Ca 1.01 0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 56.33 2qa4 s ARG 26 Cb -0.65 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 31.40 2qa4 s ARG 26 CO 0.46 0.44 1.89 0.43 0.02 0.00 0.00 175.30 178.55 2qa4 n SER 27 N 2.68 4.12 -4.82 0.23 7.64 -1.26 -4.99 113.62 117.21 2qa4 n SER 27 Ca -0.11 0.95 -0.36 0.00 1.01 0.00 0.00 58.87 60.36 2qa4 n SER 27 Cb 0.52 -1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.12 2qa4 n SER 27 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qa4 s GLY 28 N 3.38 2.59 0.59 0.23 0.00 -1.26 -5.05 107.32 107.80 2qa4 s GLY 28 Ca 0.84 0.05 -0.19 0.00 0.00 0.00 0.00 44.72 45.42 2qa4 s GLY 28 CO 0.39 0.40 1.20 0.50 0.00 0.00 0.00 173.10 175.59 2qa4 s ARG 29 N -1.76 2.98 -0.01 2.90 0.52 -1.26 -5.03 118.95 117.29 2qa4 s ARG 29 Ca 0.38 1.80 -0.18 0.00 -0.52 0.00 0.00 55.73 57.21 2qa4 s ARG 29 Cb -0.17 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 2qa4 s ARG 29 CO 0.20 -1.19 0.51 -0.65 0.02 0.00 0.00 175.30 174.19 2qa4 s GLN 30 N -3.35 4.20 0.13 3.54 -0.21 -1.26 -5.00 119.66 117.70 2qa4 s GLN 30 Ca 0.77 0.59 -0.02 0.00 0.02 0.00 0.00 55.36 56.72 2qa4 s GLN 30 Cb -0.30 -3.31 -0.12 0.00 1.00 0.00 0.00 33.01 30.28 2qa4 s GLN 30 CO 0.33 0.45 1.29 1.79 -2.12 0.00 0.00 175.29 177.03 2qa4 h THR 31 N 4.05 1.47 0.00 -0.19 1.35 -2.03 -3.47 112.91 114.08 2qa4 h THR 31 Ca -0.47 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 2qa4 h THR 31 Cb 1.20 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2qa4 h THR 31 CO 0.68 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 177.35 2qa4 n GLY 32 N 1.08 0.46 0.00 5.82 0.00 -1.26 -4.92 105.19 106.38 2qa4 n GLY 32 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2qa4 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qa4 n MET 33 N -2.68 2.62 -0.50 1.61 2.81 -1.26 -4.82 117.12 114.90 2qa4 n MET 33 Ca 0.00 -0.26 -0.29 0.00 -1.81 0.00 0.00 57.70 55.34 2qa4 n MET 33 Cb 0.05 -0.75 0.27 0.00 -0.71 0.00 0.00 33.22 32.08 2qa4 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2qa4 s LYS 34 N -0.45 -1.95 0.20 0.03 3.01 -1.26 -4.82 119.74 114.50 2qa4 s LYS 34 Ca 0.00 0.43 -0.03 0.00 -1.01 0.00 0.00 55.97 55.36 2qa4 s LYS 34 Cb 0.00 -1.47 0.16 0.00 -1.01 0.00 0.00 37.83 35.51 2qa4 s LYS 34 CO 0.00 -4.30 1.56 2.35 0.51 0.00 0.00 175.35 175.47 2qa4 h TRP 35 N -3.02 0.76 0.00 3.18 7.01 -1.99 -2.85 115.95 119.03 2qa4 h TRP 35 Ca -0.52 -0.22 -0.04 0.00 2.11 0.00 0.00 58.89 60.21 2qa4 h TRP 35 Cb 1.34 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.23 2qa4 h TRP 35 CO -1.56 0.94 -0.19 0.97 -2.79 0.00 0.00 178.44 175.82 2qa4 h ILE 36 N 0.52 0.55 0.00 2.65 6.09 -1.99 -2.05 117.51 123.28 2qa4 h ILE 36 Ca 0.04 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2qa4 h ILE 36 Cb 0.93 1.61 0.00 0.00 0.47 0.00 0.00 36.82 39.83 2qa4 h ILE 36 CO 0.08 0.18 -0.28 0.47 -3.07 0.00 0.00 178.15 175.53 2qa4 n ASP 37 N -3.47 0.62 -0.04 2.19 8.00 -1.10 -2.41 116.55 120.35 2qa4 n ASP 37 Ca -0.01 0.31 0.02 0.00 0.71 0.00 0.00 54.79 55.82 2qa4 n ASP 37 Cb 0.36 -0.29 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 2qa4 n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qa4 n ARG 38 N -2.01 0.67 0.07 -1.24 1.74 -1.02 -4.16 116.66 110.71 2qa4 n ARG 38 Ca 0.05 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.97 2qa4 n ARG 38 Cb 0.41 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 2qa4 n ARG 38 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2qa4 h GLN 39 N 0.00 0.03 -0.59 5.56 4.15 -1.42 -2.69 115.11 120.16 2qa4 h GLN 39 Ca -0.22 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 2qa4 h GLN 39 Cb 1.51 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.20 2qa4 h GLN 39 CO 0.02 1.00 0.25 -0.09 -1.93 0.00 0.00 178.83 178.08 2qa4 h ARG 40 N 0.01 0.87 0.00 1.69 2.43 -1.65 0.15 114.38 117.88 2qa4 h ARG 40 Ca -0.02 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 2qa4 h ARG 40 Cb 1.75 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 2qa4 h ARG 40 CO 0.14 0.73 -0.22 0.93 -1.51 0.00 0.00 179.97 180.04 2qa4 h GLU 41 N 0.81 0.00 0.00 0.20 5.08 -1.72 -3.11 114.58 115.84 2qa4 h GLU 41 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2qa4 h GLU 41 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qa4 h GLU 41 CO -0.02 0.22 -0.18 0.00 -1.00 0.00 0.00 179.01 178.03 2qa4 h ARG 42 N 0.00 0.00 0.00 2.33 3.08 -1.07 -3.38 114.38 115.34 2qa4 h ARG 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qa4 h ARG 42 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2qa4 h ARG 42 CO 0.03 0.15 0.00 -0.91 -1.07 0.00 0.00 179.97 178.17 2qa4 h ASN 43 N -1.00 0.00 -3.36 7.04 4.21 -0.86 -3.45 115.58 118.16 2qa4 h ASN 43 Ca -0.02 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.94 2qa4 h ASN 43 Cb 0.29 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 2qa4 h ASN 43 CO -0.01 0.00 0.30 -0.44 -1.29 0.00 0.00 177.43 175.99 2qa4 s SER 44 N -4.98 7.18 0.00 5.81 0.01 -1.17 -4.88 113.70 115.66 2qa4 s SER 44 Ca 0.02 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2qa4 s SER 44 Cb 0.09 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2qa4 s SER 44 CO 0.46 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2qa4 n GLY 45 N 3.06 3.89 3.69 3.44 0.00 -1.26 -4.97 105.19 113.03 2qa4 n GLY 45 Ca 0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2qa4 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qa4 s ILE 46 N 0.09 3.09 0.00 -0.61 1.01 -1.26 -4.75 121.20 118.78 2qa4 s ILE 46 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2qa4 s ILE 46 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2qa4 s ILE 46 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2qa4 n GLY 47 N 4.01 0.41 3.83 6.18 0.00 -1.26 -4.88 105.19 113.48 2qa4 n GLY 47 Ca 0.16 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2qa4 n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qa4 s ASN 48 N -4.00 6.92 0.00 1.61 2.47 -1.26 -5.01 114.94 115.67 2qa4 s ASN 48 Ca 0.00 1.28 0.06 0.00 0.42 0.00 0.00 52.86 54.62 2qa4 s ASN 48 Cb 0.00 -2.37 0.11 0.00 -1.45 0.00 0.00 41.25 37.54 2qa4 s ASN 48 CO 0.00 -0.01 0.93 0.47 -3.72 0.00 0.00 177.10 174.78 2qa4 n ASP 49 N 0.46 2.04 0.00 -4.21 8.00 -1.26 -4.82 116.55 116.77 2qa4 n ASP 49 Ca -0.02 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.82 2qa4 n ASP 49 Cb 0.52 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2qa4 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qa4 n GLY 50 N 0.17 1.52 0.16 0.44 0.00 -1.26 -4.09 105.19 102.13 2qa4 n GLY 50 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2qa4 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qa4 h LYS 51 N 0.00 0.00 0.00 1.61 2.10 -1.99 -3.24 116.57 115.06 2qa4 h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qa4 h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qa4 h LYS 51 CO 0.00 0.53 0.00 1.19 -2.00 0.00 0.00 179.45 179.17 2qa4 n PHE 52 N -3.63 0.13 0.08 0.07 3.01 -1.26 -2.04 117.46 113.82 2qa4 n PHE 52 Ca -0.01 0.05 0.12 0.00 1.01 0.00 0.00 57.45 58.62 2qa4 n PHE 52 Cb 0.59 -0.58 0.27 0.00 -0.01 0.00 0.00 39.48 39.75 2qa4 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qa4 n SER 53 N -1.62 3.54 -4.60 4.37 7.64 -1.22 -4.90 113.62 116.83 2qa4 n SER 53 Ca 0.04 -1.99 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 2qa4 n SER 53 Cb 0.20 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2qa4 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qa4 s LYS 54 N -1.29 3.93 0.55 1.43 1.02 -0.87 -5.07 119.74 119.45 2qa4 s LYS 54 Ca 0.43 0.36 -0.07 0.00 0.02 0.00 0.00 55.97 56.71 2qa4 s LYS 54 Cb 0.23 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2qa4 s LYS 54 CO 0.32 -0.57 0.89 0.14 -0.92 0.00 0.00 175.35 175.21 2qa4 s VAL 55 N 2.64 4.60 0.07 3.17 -7.23 -1.26 -4.99 120.40 117.39 2qa4 s VAL 55 Ca 0.26 0.38 -0.37 0.00 -1.81 0.00 0.00 61.98 60.44 2qa4 s VAL 55 Cb -0.15 -3.79 -0.17 0.00 0.56 0.00 0.00 36.38 32.83 2qa4 s VAL 55 CO 0.11 -0.87 1.32 -2.65 -0.31 0.00 0.00 175.10 172.70 2qa4 n PRO 56 N -2.49 1.02 0.00 4.82 -0.02 -1.26 -4.98 135.00 132.10 2qa4 n PRO 56 Ca 0.03 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2qa4 n PRO 56 Cb 0.55 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2qa4 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa4 n GLY 57 N 2.44 -2.01 0.00 -1.23 0.00 -1.26 -5.08 105.19 98.05 2qa4 n GLY 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2qa4 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 58 N 0.10 2.56 3.30 -0.02 0.00 -1.26 -5.18 105.19 104.69 2qa4 n GLY 58 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 2qa4 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa4 s ASP 59 N -0.20 2.65 0.15 1.61 1.01 -1.26 -5.15 116.67 115.48 2qa4 s ASP 59 Ca 0.00 -0.68 -0.05 0.00 0.71 0.00 0.00 52.55 52.53 2qa4 s ASP 59 Cb 0.00 -0.16 -0.06 0.00 1.01 0.00 0.00 42.92 43.72 2qa4 s ASP 59 CO 0.00 0.08 0.39 -0.75 0.21 0.00 0.00 175.17 175.10 2qa4 s LYS 60 N -1.87 3.62 0.59 8.23 2.47 -1.26 -4.98 119.74 126.54 2qa4 s LYS 60 Ca 0.08 -0.08 0.32 0.00 -1.56 0.00 0.00 55.97 54.73 2qa4 s LYS 60 Cb -0.10 -2.83 1.76 0.00 -1.46 0.00 0.00 37.83 35.20 2qa4 s LYS 60 CO 0.04 0.45 1.98 -1.00 0.16 0.00 0.00 175.35 176.98 2qa4 h PRO 61 N 2.74 0.00 -2.25 4.03 0.13 -2.06 -3.41 132.00 131.18 2qa4 h PRO 61 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2qa4 h PRO 61 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 2qa4 h PRO 61 CO 0.72 0.00 -0.15 0.99 -0.23 0.00 0.00 178.00 179.33 2qa4 s THR 62 N -3.97 -0.28 0.40 1.56 2.01 -1.26 -5.00 115.64 109.09 2qa4 s THR 62 Ca -0.04 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 2qa4 s THR 62 Cb 0.09 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 2qa4 s THR 62 CO 0.29 0.02 0.77 -0.54 -0.69 0.00 0.00 174.62 174.48 2qa4 s LYS 63 N 1.94 3.82 0.66 4.92 -0.14 -1.26 -4.86 119.74 124.82 2qa4 s LYS 63 Ca -0.08 0.52 -0.07 0.00 -1.36 0.00 0.00 55.97 54.98 2qa4 s LYS 63 Cb -0.08 -2.39 0.04 0.00 -1.68 0.00 0.00 37.83 33.72 2qa4 s LYS 63 CO -0.17 -0.02 0.98 0.15 -0.76 0.00 0.00 175.35 175.53 2qa4 s LYS 64 N -3.73 2.53 -0.36 1.68 1.02 -1.26 -1.80 119.74 117.82 2qa4 s LYS 64 Ca 0.52 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 2qa4 s LYS 64 Cb -0.10 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 2qa4 s LYS 64 CO 0.29 -1.01 1.16 0.99 -0.92 0.00 0.00 175.35 175.86 2qa4 s THR 65 N -3.15 4.32 -0.49 2.17 2.01 -0.56 -4.81 115.64 115.12 2qa4 s THR 65 Ca 0.57 1.47 -0.13 0.00 0.31 0.00 0.00 61.69 63.91 2qa4 s THR 65 Cb -0.11 -4.40 0.11 0.00 0.01 0.00 0.00 72.50 68.12 2qa4 s THR 65 CO 0.45 -0.63 0.41 -0.62 -0.69 0.00 0.00 174.62 173.54 2qa4 s ASP 66 N 2.22 5.97 0.26 3.53 2.15 -1.26 -4.00 116.67 125.54 2qa4 s ASP 66 Ca 0.49 -1.72 0.02 0.00 0.43 0.00 0.00 52.55 51.77 2qa4 s ASP 66 Cb -0.12 -2.12 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2qa4 s ASP 66 CO 0.22 -0.74 0.06 -0.76 -0.17 0.00 0.00 175.17 173.78 2qa4 s LEU 67 N 1.51 1.92 -0.05 -1.34 1.43 -1.26 -3.13 118.68 117.75 2qa4 s LEU 67 Ca 0.04 -1.32 0.02 0.00 -1.03 0.00 0.00 54.13 51.84 2qa4 s LEU 67 Cb -0.27 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 45.82 2qa4 s LEU 67 CO 0.02 -0.64 -0.12 -0.54 0.23 0.00 0.00 176.35 175.31 2qa4 s LYS 68 N -3.95 1.52 -0.70 1.70 1.02 -0.85 -4.35 119.74 114.12 2qa4 s LYS 68 Ca 0.34 -0.39 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 2qa4 s LYS 68 Cb 0.07 -1.29 0.18 0.00 -0.52 0.00 0.00 37.83 36.27 2qa4 s LYS 68 CO 0.12 0.06 0.53 0.71 -0.92 0.00 0.00 175.35 175.85 2qa4 s TYR 69 N 0.53 3.52 -0.17 3.18 1.51 -0.80 -2.60 117.35 122.52 2qa4 s TYR 69 Ca -0.11 -2.79 -0.28 0.00 -1.01 0.00 0.00 57.07 52.88 2qa4 s TYR 69 Cb -0.14 -3.21 -0.00 0.00 -0.11 0.00 0.00 41.96 38.50 2qa4 s TYR 69 CO 0.03 -0.81 0.96 1.03 -1.11 0.00 0.00 175.55 175.65 2qa4 s ARG 70 N -0.41 4.32 0.57 -0.62 0.52 -0.84 -2.72 118.95 119.77 2qa4 s ARG 70 Ca 0.20 1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 56.55 2qa4 s ARG 70 Cb -0.17 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 2qa4 s ARG 70 CO -0.06 -0.43 0.98 0.00 0.02 0.00 0.00 175.30 175.80 2qa4 h GLY 72 N 0.11 0.57 0.25 0.00 0.00 -1.60 -3.23 103.07 99.16 2qa4 h GLY 72 Ca -0.45 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 45.61 2qa4 h GLY 72 CO 0.62 1.10 -0.12 -2.09 0.00 0.00 0.00 176.54 176.05 2qa4 h GLU 73 N 0.20 -0.32 0.04 4.80 4.81 -1.96 -3.39 114.58 118.76 2qa4 h GLU 73 Ca -0.18 0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.82 2qa4 h GLU 73 Cb 1.93 0.07 0.01 0.00 0.63 0.00 0.00 28.75 31.40 2qa4 h GLU 73 CO 0.23 -0.21 -1.06 0.00 -0.73 0.00 0.00 179.01 177.23 2qa4 n GLY 75 N 1.13 0.42 3.84 0.00 0.00 -1.22 -5.09 105.19 104.27 2qa4 n GLY 75 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2qa4 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa4 s LYS 76 N -0.94 4.06 0.28 1.61 1.02 -1.26 -4.71 119.74 119.81 2qa4 s LYS 76 Ca 0.00 0.98 0.10 0.00 0.02 0.00 0.00 55.97 57.06 2qa4 s LYS 76 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2qa4 s LYS 76 CO 0.00 -0.13 -0.01 0.00 -0.92 0.00 0.00 175.35 174.30 2qa4 s ALA 77 N -2.38 3.16 -0.04 5.17 0.00 -1.26 -1.90 121.76 124.51 2qa4 s ALA 77 Ca 0.59 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2qa4 s ALA 77 Cb -0.10 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2qa4 s ALA 77 CO 0.23 0.23 0.09 -3.38 0.00 0.00 0.00 175.76 172.92 2qa4 s HIS 78 N -2.37 -0.08 -0.07 0.00 -3.43 -1.10 -4.92 115.29 103.33 2qa4 s HIS 78 Ca 0.32 0.28 -0.24 0.00 -0.80 0.00 0.00 55.06 54.63 2qa4 s HIS 78 Cb -0.05 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2qa4 s HIS 78 CO 0.20 -0.10 0.72 -0.51 -2.00 0.00 0.00 174.74 173.04 2qa4 s LEU 79 N 0.74 4.32 0.25 5.38 1.43 -1.26 -1.90 118.68 127.63 2qa4 s LEU 79 Ca -0.06 1.21 0.10 0.00 -1.03 0.00 0.00 54.13 54.35 2qa4 s LEU 79 Cb -0.08 -3.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 2qa4 s LEU 79 CO -0.03 -0.13 -0.11 -0.13 0.23 0.00 0.00 176.35 176.18 2qa4 s ARG 80 N 0.83 1.97 0.67 1.70 0.52 -1.26 -5.05 118.95 118.34 2qa4 s ARG 80 Ca 0.38 -1.51 -0.17 0.00 -0.52 0.00 0.00 55.73 53.91 2qa4 s ARG 80 Cb -0.18 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2qa4 s ARG 80 CO 0.18 0.37 1.12 -1.91 0.02 0.00 0.00 175.30 175.09 2qa4 n GLU 81 N -0.50 0.82 -4.30 3.54 2.13 -1.26 -4.73 120.64 116.34 2qa4 n GLU 81 Ca -0.07 0.34 -0.31 0.00 0.66 0.00 0.00 57.16 57.77 2qa4 n GLU 81 Cb 0.58 -2.36 -0.09 0.00 0.27 0.00 0.00 31.44 29.84 2qa4 n GLU 81 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2qa4 s GLY 82 N -1.48 1.83 0.06 8.31 0.00 -1.26 -4.92 107.32 109.86 2qa4 s GLY 82 Ca 0.78 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 44.50 2qa4 s GLY 82 CO 0.45 -0.97 -0.10 0.66 0.00 0.00 0.00 173.10 173.14 2qa4 s TRP 83 N -1.13 2.76 -0.68 1.90 -2.14 -1.26 -4.60 118.94 113.79 2qa4 s TRP 83 Ca 0.20 -0.14 -0.26 0.00 2.66 0.00 0.00 56.10 58.57 2qa4 s TRP 83 Cb -0.11 -1.50 -0.06 0.00 -3.10 0.00 0.00 33.47 28.70 2qa4 s TRP 83 CO 0.12 0.37 2.11 1.03 -2.66 0.00 0.00 176.95 177.92 2qa4 s ARG 84 N -1.80 2.31 -0.19 3.25 0.52 -1.26 -1.50 118.95 120.28 2qa4 s ARG 84 Ca 0.19 0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.99 2qa4 s ARG 84 Cb -0.11 -4.66 0.03 0.00 0.52 0.00 0.00 34.95 30.73 2qa4 s ARG 84 CO 0.10 -3.30 -0.18 0.00 0.02 0.00 0.00 175.30 171.94 2qa4 s ALA 85 N 11.04 2.31 0.33 2.13 0.00 -0.74 -4.97 121.76 131.86 2qa4 s ALA 85 Ca 0.80 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2qa4 s ALA 85 Cb -0.12 -1.23 0.61 0.00 0.00 0.00 0.00 23.12 22.38 2qa4 s ALA 85 CO 0.15 -0.49 1.97 0.78 0.00 0.00 0.00 175.76 178.16 2qa4 h GLY 86 N 7.93 1.05 -5.24 0.00 0.00 -1.92 -3.41 103.07 101.47 2qa4 h GLY 86 Ca -0.41 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 2qa4 h GLY 86 CO 0.60 0.31 -0.25 -1.60 0.00 0.00 0.00 176.54 175.59 2qa4 s ARG 87 N -5.79 0.46 -0.27 4.80 3.52 -1.26 -4.92 118.95 115.50 2qa4 s ARG 87 Ca -0.11 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.04 2qa4 s ARG 87 Cb 0.19 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.88 2qa4 s ARG 87 CO 0.78 -0.06 0.03 -1.17 -0.81 0.00 0.00 175.30 174.07 2qa4 s LEU 88 N 0.20 2.45 -0.20 -0.88 2.96 -1.26 -0.05 118.68 121.90 2qa4 s LEU 88 Ca -0.00 -1.39 -0.04 0.00 -0.22 0.00 0.00 54.13 52.48 2qa4 s LEU 88 Cb -0.03 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 2qa4 s LEU 88 CO 0.01 -0.33 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.07 2qa4 s GLU 89 N 1.51 3.53 0.22 1.98 2.02 -0.92 -5.00 118.70 122.03 2qa4 s GLU 89 Ca 0.03 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.19 2qa4 s GLU 89 Cb -0.18 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2qa4 s GLU 89 CO -0.14 -0.02 0.85 -0.06 0.02 0.00 0.00 175.26 175.92 2qa4 s PHE 90 N 1.04 3.86 -0.49 1.61 0.40 -1.26 -2.25 117.98 120.89 2qa4 s PHE 90 Ca 0.01 1.72 -0.21 0.00 -0.60 0.00 0.00 56.93 57.85 2qa4 s PHE 90 Cb -0.15 -2.84 0.04 0.00 0.51 0.00 0.00 43.02 40.59 2qa4 s PHE 90 CO 0.01 0.42 0.72 -0.65 0.70 0.00 0.00 175.22 176.42 2qa4 s GLN 91 N -1.42 3.24 0.00 0.44 -0.21 -0.74 -4.90 119.66 116.07 2qa4 s GLN 91 Ca 0.41 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.26 2qa4 s GLN 91 Cb -0.22 -4.03 0.00 0.00 1.00 0.00 0.00 33.01 29.76 2qa4 s GLN 91 CO 0.27 -1.21 0.00 0.39 -2.12 0.00 0.00 175.29 172.62