#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fqp s LYS 2 N 0.00 0.07 0.18 1.61 2.47 -1.26 -5.23 119.74 117.57 2fqp s LYS 2 Ca 0.00 0.10 -0.31 0.00 -1.56 0.00 0.00 55.97 54.20 2fqp s LYS 2 Cb 0.00 0.05 -0.09 0.00 -1.46 0.00 0.00 37.83 36.33 2fqp s LYS 2 CO 0.00 -0.09 1.48 1.03 0.16 0.00 0.00 175.35 177.92 2fqp s ARG 3 N 2.98 4.26 0.70 4.03 0.52 -1.26 -4.98 118.95 125.21 2fqp s ARG 3 Ca 0.07 2.26 -0.16 0.00 -0.52 0.00 0.00 55.73 57.38 2fqp s ARG 3 Cb -0.06 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.27 2fqp s ARG 3 CO -0.13 -0.50 1.21 -1.25 0.02 0.00 0.00 175.30 174.65 2fqp s PRO 4 N 0.68 2.32 0.22 3.54 0.04 -1.26 -4.72 135.00 135.82 2fqp s PRO 4 Ca 0.65 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2fqp s PRO 4 Cb -0.41 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2fqp s PRO 4 CO 0.34 -1.70 1.08 0.20 0.04 0.00 0.00 177.00 176.96 2fqp s GLY 5 N -1.91 2.96 0.43 0.56 0.00 -1.26 -1.35 107.32 106.75 2fqp s GLY 5 Ca 0.76 0.81 -0.26 0.00 0.00 0.00 0.00 44.72 46.03 2fqp s GLY 5 CO 0.43 1.54 1.36 0.00 0.00 0.00 0.00 173.10 176.43 2fqp s ALA 6 N -0.68 3.24 -0.32 3.20 0.00 0.18 -4.58 121.76 122.80 2fqp s ALA 6 Ca 0.46 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 2fqp s ALA 6 Cb -0.30 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2fqp s ALA 6 CO 0.37 -1.01 0.15 0.42 0.00 0.00 0.00 175.76 175.68 2fqp s ILE 7 N -1.24 4.49 -0.19 0.00 1.01 0.53 -4.91 121.20 120.90 2fqp s ILE 7 Ca 0.59 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2fqp s ILE 7 Cb -0.41 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2fqp s ILE 7 CO 0.52 0.02 0.65 -2.16 0.00 0.00 0.00 174.94 173.97 2fqp s PRO 8 N 1.58 4.24 -0.22 2.79 0.04 -1.26 -1.62 135.00 140.55 2fqp s PRO 8 Ca 0.04 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 2fqp s PRO 8 Cb -0.17 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.81 2fqp s PRO 8 CO 0.06 -0.22 -0.07 0.99 0.04 0.00 0.00 177.00 177.79 2fqp s THR 9 N 1.84 3.02 -0.24 1.26 2.01 0.33 -4.95 115.64 118.91 2fqp s THR 9 Ca 0.30 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2fqp s THR 9 Cb -0.16 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2fqp s THR 9 CO 0.11 0.38 1.08 -0.69 -0.69 0.00 0.00 174.62 174.80 2fqp s VAL 10 N 1.41 4.60 -0.16 3.82 1.01 -1.26 -0.41 120.40 129.40 2fqp s VAL 10 Ca 0.04 1.91 0.16 0.00 0.00 0.00 0.00 61.98 64.10 2fqp s VAL 10 Cb -0.15 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 2fqp s VAL 10 CO -0.05 -0.23 0.22 0.00 0.00 0.00 0.00 175.10 175.04 2fqp n GLN 11 N 6.46 0.68 -3.76 2.72 6.02 0.16 -4.94 117.38 124.72 2fqp n GLN 11 Ca 0.12 0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 57.05 2fqp n GLN 11 Cb 0.46 -1.59 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 2fqp n GLN 11 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fqp s ILE 12 N -2.52 -0.03 -0.28 5.09 1.01 -1.06 -4.98 121.20 118.43 2fqp s ILE 12 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 2fqp s ILE 12 Cb 0.07 -0.30 0.13 0.00 0.01 0.00 0.00 42.46 42.36 2fqp s ILE 12 CO 0.83 0.05 0.26 -0.62 0.00 0.00 0.00 174.94 175.45 2fqp s ASP 13 N 0.93 2.04 0.00 3.58 -1.08 -1.26 -0.24 116.67 120.64 2fqp s ASP 13 Ca -0.07 -0.83 0.00 0.00 -0.52 0.00 0.00 52.55 51.13 2fqp s ASP 13 Cb -0.08 0.32 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 2fqp s ASP 13 CO -0.05 -0.40 0.00 -0.46 0.52 0.00 0.00 175.17 174.78 2fqp n ASN 14 N 5.30 0.61 0.25 -0.34 0.23 -0.65 -5.02 115.26 115.64 2fqp n ASN 14 Ca -0.03 -0.17 0.13 0.00 -0.53 0.00 0.00 54.58 53.97 2fqp n ASN 14 Cb 0.46 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.76 2fqp n ASN 14 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2fqp h GLU 15 N 0.00 0.00 0.00 -3.83 3.07 -2.03 -3.35 114.58 108.44 2fqp h GLU 15 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 2fqp h GLU 15 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2fqp h GLU 15 CO 0.00 0.14 -1.60 0.54 -1.40 0.00 0.00 179.01 176.69 2fqp n ARG 16 N -3.37 1.33 -4.08 2.33 5.12 -1.26 -4.81 116.66 111.93 2fqp n ARG 16 Ca -0.00 0.03 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 2fqp n ARG 16 Cb 0.34 -1.22 -0.10 0.00 -1.16 0.00 0.00 32.46 30.33 2fqp n ARG 16 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2fqp s VAL 17 N -2.21 0.21 -0.09 1.55 -7.23 -1.26 -0.85 120.40 110.52 2fqp s VAL 17 Ca -0.10 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2fqp s VAL 17 Cb 0.03 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2fqp s VAL 17 CO 0.29 -0.96 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.28 2fqp s LYS 18 N -3.71 1.58 -0.18 4.82 2.20 -0.18 -1.64 119.74 122.63 2fqp s LYS 18 Ca 0.05 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 2fqp s LYS 18 Cb 0.06 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.91 2fqp s LYS 18 CO -0.09 -0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 174.65 2fqp s VAL 19 N 1.25 2.22 -0.07 4.02 1.01 0.66 -0.46 120.40 129.02 2fqp s VAL 19 Ca -0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2fqp s VAL 19 Cb -0.14 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2fqp s VAL 19 CO -0.03 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.54 2fqp s THR 20 N 1.21 1.49 -0.15 3.92 2.01 -0.28 0.39 115.64 124.23 2fqp s THR 20 Ca 0.03 -0.70 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 2fqp s THR 20 Cb -0.14 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 2fqp s THR 20 CO -0.10 0.43 0.87 -0.70 -0.69 0.00 0.00 174.62 174.43 2fqp s GLU 21 N 0.43 4.33 -0.25 4.92 2.12 0.45 -0.57 118.70 130.13 2fqp s GLU 21 Ca -0.14 1.10 -0.07 0.00 0.36 0.00 0.00 54.97 56.22 2fqp s GLU 21 Cb -0.16 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2fqp s GLU 21 CO 0.05 -0.32 0.07 -1.58 -0.54 0.00 0.00 175.26 172.94 2fqp s TRP 22 N 2.10 3.09 -0.24 5.30 0.52 0.16 -0.51 118.94 129.35 2fqp s TRP 22 Ca 0.40 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.13 2fqp s TRP 22 Cb -0.17 -2.24 0.05 0.00 -1.15 0.00 0.00 33.47 29.96 2fqp s TRP 22 CO 0.14 -0.35 -0.12 0.50 0.02 0.00 0.00 176.95 177.13 2fqp s ARG 23 N 1.61 2.48 -0.27 4.98 3.52 -0.64 -1.88 118.95 128.75 2fqp s ARG 23 Ca 0.06 -1.19 -0.12 0.00 -0.13 0.00 0.00 55.73 54.36 2fqp s ARG 23 Cb -0.15 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 2fqp s ARG 23 CO 0.04 -0.47 0.22 -0.06 -0.81 0.00 0.00 175.30 174.22 2fqp s PHE 24 N 1.17 3.25 0.96 5.12 0.40 0.94 -0.35 117.98 129.47 2fqp s PHE 24 Ca -0.05 0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.38 2fqp s PHE 24 Cb -0.18 -2.39 0.17 0.00 0.51 0.00 0.00 43.02 41.13 2fqp s PHE 24 CO -0.07 -0.12 1.10 -2.14 0.70 0.00 0.00 175.22 174.69 2fqp s PRO 25 N 1.64 0.68 0.07 0.24 0.02 -1.26 -1.29 135.00 135.10 2fqp s PRO 25 Ca 0.09 1.18 -0.35 0.00 0.02 0.00 0.00 61.00 61.93 2fqp s PRO 25 Cb -0.15 -1.71 -0.15 0.00 0.02 0.00 0.00 34.50 32.51 2fqp s PRO 25 CO 0.09 -2.74 1.56 -2.30 -0.33 0.00 0.00 177.00 173.28 2fqp n PRO 26 N -4.28 1.75 -1.00 5.54 -0.02 -1.26 -0.91 135.00 134.83 2fqp n PRO 26 Ca 0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2fqp n PRO 26 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2fqp n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fqp n GLY 27 N 3.34 0.35 3.89 -1.23 0.00 -0.23 -4.75 105.19 106.56 2fqp n GLY 27 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2fqp n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fqp s GLY 28 N -2.00 1.62 0.07 -0.02 0.00 -0.09 -4.26 107.32 102.64 2fqp s GLY 28 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.16 2fqp s GLY 28 CO 0.00 -0.10 0.16 -1.83 0.00 0.00 0.00 173.10 171.33 2fqp s GLU 29 N -5.35 0.77 0.13 2.90 -1.05 -0.46 -0.54 118.70 115.10 2fqp s GLU 29 Ca 0.58 -0.91 0.06 0.00 -0.15 0.00 0.00 54.97 54.56 2fqp s GLU 29 Cb -0.11 0.31 -0.18 0.00 -0.44 0.00 0.00 34.13 33.71 2fqp s GLU 29 CO 0.50 -0.23 1.29 1.79 0.95 0.00 0.00 175.26 179.56 2fqp h THR 30 N 3.00 1.69 0.00 1.83 1.35 -1.42 0.53 112.91 119.90 2fqp h THR 30 Ca -0.34 -3.32 0.00 0.00 -0.55 0.00 0.00 66.41 62.20 2fqp h THR 30 Cb 1.19 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2fqp h THR 30 CO 0.55 0.95 0.00 0.61 -0.25 0.00 0.00 175.52 177.38 2fqp n GLY 31 N 1.29 -1.49 3.75 5.82 0.00 -1.26 -4.85 105.19 108.45 2fqp n GLY 31 Ca -0.01 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2fqp n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2fqp s TRP 32 N -2.93 3.06 0.14 1.61 0.52 -1.26 -4.44 118.94 115.64 2fqp s TRP 32 Ca 0.00 1.15 -0.15 0.00 0.02 0.00 0.00 56.10 57.11 2fqp s TRP 32 Cb 0.00 -3.75 0.03 0.00 -1.15 0.00 0.00 33.47 28.60 2fqp s TRP 32 CO 0.00 -2.35 0.41 -3.38 0.02 0.00 0.00 176.95 171.65 2fqp s HIS 33 N -0.24 -0.11 -0.07 -1.98 -3.43 -0.17 -4.97 115.29 104.33 2fqp s HIS 33 Ca 0.56 -0.23 0.03 0.00 -0.80 0.00 0.00 55.06 54.63 2fqp s HIS 33 Cb -0.40 0.24 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 2fqp s HIS 33 CO 0.45 -0.74 -0.14 0.50 -2.00 0.00 0.00 174.74 172.80 2fqp s ARG 34 N -3.84 2.69 -0.22 -0.38 3.52 -1.26 -1.51 118.95 117.95 2fqp s ARG 34 Ca 0.06 -0.70 -0.25 0.00 -0.13 0.00 0.00 55.73 54.71 2fqp s ARG 34 Cb 0.01 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.97 2fqp s ARG 34 CO -0.09 0.53 0.83 -1.01 -0.81 0.00 0.00 175.30 174.75 2fqp s HIS 35 N -0.49 3.34 -0.62 5.12 3.76 0.56 -4.97 115.29 121.99 2fqp s HIS 35 Ca 0.06 1.17 0.05 0.00 -0.15 0.00 0.00 55.06 56.20 2fqp s HIS 35 Cb -0.12 -3.04 0.33 0.00 1.11 0.00 0.00 32.58 30.87 2fqp s HIS 35 CO 0.02 -0.35 1.07 -1.13 -0.85 0.00 0.00 174.74 173.50 2fqp n SER 36 N 5.78 3.03 -4.81 1.40 3.41 -1.26 0.51 113.62 121.67 2fqp n SER 36 Ca 0.05 -2.43 -0.36 0.00 -0.26 0.00 0.00 58.87 55.87 2fqp n SER 36 Cb 0.48 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2fqp n SER 36 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2fqp s ASP 38 N -0.27 7.09 0.06 4.04 1.01 -1.26 -4.80 116.67 122.54 2fqp s ASP 38 Ca 0.23 1.47 -0.12 0.00 0.71 0.00 0.00 52.55 54.84 2fqp s ASP 38 Cb 0.18 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.68 2fqp s ASP 38 CO 0.06 0.02 0.27 -0.72 0.21 0.00 0.00 175.17 175.01 2fqp s TYR 39 N -1.53 -0.02 -0.06 4.23 1.13 -0.28 -1.41 117.35 119.40 2fqp s TYR 39 Ca 0.44 -0.22 0.02 0.00 -1.41 0.00 0.00 57.07 55.89 2fqp s TYR 39 Cb -0.17 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 2fqp s TYR 39 CO 0.21 -0.53 -0.08 0.08 -2.51 0.00 0.00 175.55 172.72 2fqp s VAL 40 N -3.05 3.56 -0.11 -3.49 1.01 0.39 -1.18 120.40 117.54 2fqp s VAL 40 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2fqp s VAL 40 Cb 0.01 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2fqp s VAL 40 CO -0.06 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 2fqp s VAL 41 N -0.82 3.06 -0.36 2.92 1.01 0.20 0.21 120.40 126.63 2fqp s VAL 41 Ca 0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2fqp s VAL 41 Cb -0.11 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.09 2fqp s VAL 41 CO 0.02 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 175.08 2fqp s VAL 42 N 0.10 3.00 0.14 2.92 1.01 0.41 -1.52 120.40 126.46 2fqp s VAL 42 Ca -0.06 -1.91 -0.02 0.00 0.00 0.00 0.00 61.98 59.99 2fqp s VAL 42 Cb -0.15 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2fqp s VAL 42 CO 0.05 -0.49 0.11 -2.65 0.00 0.00 0.00 175.10 172.11 2fqp n PRO 43 N 4.54 -1.56 0.00 2.72 -0.02 -1.26 -1.28 135.00 138.14 2fqp n PRO 43 Ca -0.04 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2fqp n PRO 43 Cb 0.42 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 2fqp n PRO 43 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2fqp n THR 45 N -2.92 0.00 -3.50 3.45 -1.04 -1.11 -0.43 114.28 108.73 2fqp n THR 45 Ca 0.02 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 2fqp n THR 45 Cb 0.06 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 2fqp n THR 45 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2fqp s THR 46 N 0.00 5.27 0.00 12.58 2.01 -1.26 -3.49 115.64 130.75 2fqp s THR 46 Ca 0.00 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2fqp s THR 46 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2fqp s THR 46 CO 0.00 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2fqp n GLY 47 N 3.22 2.36 3.77 4.40 0.00 -0.06 -4.92 105.19 113.97 2fqp n GLY 47 Ca -0.11 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2fqp n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fqp s PRO 48 N -2.02 4.64 0.11 1.61 0.04 -1.26 -0.63 135.00 137.49 2fqp s PRO 48 Ca 0.00 1.46 0.10 0.00 0.04 0.00 0.00 61.00 62.60 2fqp s PRO 48 Cb 0.00 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2fqp s PRO 48 CO 0.00 0.30 -0.23 -0.51 0.04 0.00 0.00 177.00 176.60 2fqp s LEU 49 N -1.76 2.47 -0.25 -3.56 1.43 0.83 -4.47 118.68 113.38 2fqp s LEU 49 Ca 0.47 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2fqp s LEU 49 Cb -0.23 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2fqp s LEU 49 CO 0.29 0.19 0.25 -0.22 0.23 0.00 0.00 176.35 177.09 2fqp s LEU 50 N -1.99 4.09 -0.21 1.79 2.96 0.08 -0.03 118.68 125.37 2fqp s LEU 50 Ca 0.15 0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 2fqp s LEU 50 Cb -0.10 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2fqp s LEU 50 CO 0.07 -0.03 0.02 -0.76 -1.32 0.00 0.00 176.35 174.32 2fqp s LEU 51 N 1.45 3.32 -0.22 -0.68 1.43 0.33 -0.95 118.68 123.36 2fqp s LEU 51 Ca 0.11 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2fqp s LEU 51 Cb -0.15 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2fqp s LEU 51 CO 0.08 0.05 0.01 -1.61 0.23 0.00 0.00 176.35 175.11 2fqp s GLU 52 N 1.12 3.59 0.25 1.70 2.02 0.16 -1.54 118.70 125.99 2fqp s GLU 52 Ca 0.03 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.51 2fqp s GLU 52 Cb -0.14 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 2fqp s GLU 52 CO 0.02 -0.08 0.09 0.95 0.02 0.00 0.00 175.26 176.26 2fqp s THR 53 N 1.25 0.55 0.60 3.63 -4.23 -0.65 -0.62 115.64 116.17 2fqp s THR 53 Ca 0.04 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.87 2fqp s THR 53 Cb -0.15 -2.58 0.37 0.00 1.34 0.00 0.00 72.50 71.49 2fqp s THR 53 CO 0.01 -0.05 2.27 -0.65 -0.54 0.00 0.00 174.62 175.66 2fqp h PRO 54 N 2.43 0.00 -0.02 3.99 0.11 -2.00 -1.08 132.00 135.43 2fqp h PRO 54 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2fqp h PRO 54 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2fqp h PRO 54 CO 0.61 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2fqp n GLU 55 N -3.72 1.84 0.00 1.05 4.71 -1.26 -5.05 120.64 118.20 2fqp n GLU 55 Ca -0.03 -1.22 0.00 0.00 -0.01 0.00 0.00 57.16 55.90 2fqp n GLU 55 Cb 0.09 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 2fqp n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2fqp n GLY 56 N 1.22 1.47 4.00 0.62 0.00 -0.41 -5.10 105.19 106.98 2fqp n GLY 56 Ca 0.18 -2.13 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 2fqp n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fqp s SER 57 N 0.00 5.71 -0.19 1.61 1.04 -1.26 -1.64 113.70 118.97 2fqp s SER 57 Ca 0.00 -0.25 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 2fqp s SER 57 Cb 0.00 -0.91 0.14 0.00 0.10 0.00 0.00 66.02 65.35 2fqp s SER 57 CO 0.00 -0.71 1.18 0.54 0.98 0.00 0.00 173.24 175.23 2fqp s VAL 58 N -2.37 0.00 -0.05 5.02 0.11 -0.59 -4.98 120.40 117.55 2fqp s VAL 58 Ca 0.52 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.36 2fqp s VAL 58 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2fqp s VAL 58 CO 0.33 0.00 0.61 -0.89 -3.33 0.00 0.00 175.10 171.83 2fqp s THR 59 N -2.12 5.01 -0.18 5.04 2.01 -1.26 -0.51 115.64 123.63 2fqp s THR 59 Ca 0.08 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.33 2fqp s THR 59 Cb -0.01 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2fqp s THR 59 CO -0.05 0.34 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.57 2fqp s SER 60 N 0.32 3.98 -0.20 3.53 0.15 0.96 -4.95 113.70 117.49 2fqp s SER 60 Ca 0.32 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 2fqp s SER 60 Cb -0.17 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2fqp s SER 60 CO 0.16 0.06 0.59 -1.58 1.20 0.00 0.00 173.24 173.67 2fqp s GLN 61 N 0.98 4.20 0.01 5.44 2.00 -1.26 -0.12 119.66 130.91 2fqp s GLN 61 Ca -0.01 0.54 0.01 0.00 -2.00 0.00 0.00 55.36 53.89 2fqp s GLN 61 Cb -0.15 -3.58 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 2fqp s GLN 61 CO -0.01 -0.22 0.04 -0.51 -0.50 0.00 0.00 175.29 174.09 2fqp s LEU 62 N 1.84 3.68 -0.15 3.68 1.02 0.19 -4.97 118.68 123.97 2fqp s LEU 62 Ca 0.27 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.47 2fqp s LEU 62 Cb -0.16 -2.17 0.01 0.00 0.02 0.00 0.00 46.19 43.89 2fqp s LEU 62 CO 0.10 0.26 -0.19 -0.89 0.02 0.00 0.00 176.35 175.65 2fqp s THR 63 N -1.17 2.33 -0.05 5.49 2.01 -1.26 -0.88 115.64 122.11 2fqp s THR 63 Ca 0.22 -0.88 -0.38 0.00 0.31 0.00 0.00 61.69 60.95 2fqp s THR 63 Cb -0.12 -1.96 -0.16 0.00 0.01 0.00 0.00 72.50 70.27 2fqp s THR 63 CO 0.13 0.53 1.48 -1.14 -0.69 0.00 0.00 174.62 174.93 2fqp n ARG 64 N 4.10 1.10 -0.76 4.92 0.63 -1.23 -1.52 116.66 123.89 2fqp n ARG 64 Ca -0.20 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2fqp n ARG 64 Cb 0.52 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2fqp n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fqp n GLY 65 N 3.10 1.35 3.24 5.14 0.00 0.43 -4.97 105.19 113.48 2fqp n GLY 65 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2fqp n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fqp s VAL 66 N -3.72 4.51 0.55 1.61 1.01 -0.58 -4.94 120.40 118.85 2fqp s VAL 66 Ca 0.00 -1.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.02 2fqp s VAL 66 Cb 0.00 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2fqp s VAL 66 CO 0.00 -0.81 1.09 -0.44 0.00 0.00 0.00 175.10 174.93 2fqp s SER 67 N 2.85 5.85 0.21 3.32 0.01 -1.26 -4.44 113.70 120.25 2fqp s SER 67 Ca 0.06 2.02 -0.05 0.00 1.31 0.00 0.00 55.95 59.29 2fqp s SER 67 Cb -0.26 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 2fqp s SER 67 CO -0.00 -1.12 0.24 -0.72 0.41 0.00 0.00 173.24 172.05 2fqp s TYR 68 N -2.01 0.89 0.10 2.43 -0.85 -0.57 -4.99 117.35 112.35 2fqp s TYR 68 Ca 0.69 -1.16 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 2fqp s TYR 68 Cb -0.20 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 2fqp s TYR 68 CO 0.28 -0.75 -0.14 -0.08 -1.52 0.00 0.00 175.55 173.34 2fqp s THR 69 N -4.11 1.21 0.01 -3.49 -1.32 -1.26 -0.63 115.64 106.04 2fqp s THR 69 Ca 0.33 -1.56 -0.08 0.00 -1.21 0.00 0.00 61.69 59.18 2fqp s THR 69 Cb 0.05 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2fqp s THR 69 CO 0.11 -0.36 0.15 -0.13 -2.21 0.00 0.00 174.62 172.17 2fqp s ARG 70 N -2.35 0.52 0.32 7.08 1.81 -0.32 -5.00 118.95 121.01 2fqp s ARG 70 Ca 0.05 -0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 53.54 2fqp s ARG 70 Cb -0.06 0.21 -0.06 0.00 -0.45 0.00 0.00 34.95 34.59 2fqp s ARG 70 CO 0.02 -0.13 0.63 -1.25 -0.68 0.00 0.00 175.30 173.90 2fqp s PRO 71 N -1.56 3.72 0.25 3.54 0.04 -1.26 -1.13 135.00 138.60 2fqp s PRO 71 Ca -0.13 0.22 -0.28 0.00 0.04 0.00 0.00 61.00 60.84 2fqp s PRO 71 Cb -0.07 -2.55 -0.15 0.00 0.04 0.00 0.00 34.50 31.77 2fqp s PRO 71 CO 0.01 0.14 0.86 -1.91 0.04 0.00 0.00 177.00 176.14 2fqp n GLU 72 N -0.93 0.88 -0.24 4.56 2.13 -1.26 -2.59 120.64 123.19 2fqp n GLU 72 Ca 0.00 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2fqp n GLU 72 Cb 0.54 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2fqp n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fqp n GLY 73 N 1.53 1.02 3.63 8.31 0.00 0.18 -4.92 105.19 114.94 2fqp n GLY 73 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 2fqp n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fqp n VAL 74 N -2.00 0.37 -4.13 1.61 0.31 -1.07 -4.65 118.33 108.77 2fqp n VAL 74 Ca 0.00 -0.09 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 2fqp n VAL 74 Cb 0.00 -1.18 -0.17 0.00 -0.91 0.00 0.00 33.84 31.58 2fqp n VAL 74 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2fqp s GLU 75 N 0.26 1.82 0.09 5.55 2.12 -1.26 -0.32 118.70 126.95 2fqp s GLU 75 Ca 0.77 -0.39 -0.26 0.00 0.36 0.00 0.00 54.97 55.45 2fqp s GLU 75 Cb -0.79 -1.70 0.08 0.00 0.26 0.00 0.00 34.13 31.98 2fqp s GLU 75 CO 0.46 -0.18 0.88 -3.38 -0.54 0.00 0.00 175.26 172.50 2fqp s HIS 76 N 1.37 -0.27 -0.09 5.30 -3.43 -0.57 -4.22 115.29 113.38 2fqp s HIS 76 Ca -0.00 0.03 0.01 0.00 -0.80 0.00 0.00 55.06 54.30 2fqp s HIS 76 Cb -0.14 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 2fqp s HIS 76 CO -0.06 -0.73 -0.12 1.21 -2.00 0.00 0.00 174.74 173.05 2fqp s ASN 77 N -2.72 4.15 -0.12 7.38 2.47 0.21 -1.00 114.94 125.30 2fqp s ASN 77 Ca 0.08 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.15 2fqp s ASN 77 Cb -0.01 -1.28 -0.01 0.00 -1.45 0.00 0.00 41.25 38.50 2fqp s ASN 77 CO -0.04 0.26 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.74 2fqp s VAL 78 N -0.21 2.69 -0.04 -5.21 1.01 -1.26 -0.67 120.40 116.72 2fqp s VAL 78 Ca 0.01 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2fqp s VAL 78 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2fqp s VAL 78 CO 0.03 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 174.80 2fqp s ILE 79 N 0.37 1.87 -0.51 2.22 1.01 -0.13 -1.06 121.20 124.98 2fqp s ILE 79 Ca -0.13 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.36 2fqp s ILE 79 Cb -0.17 -1.57 0.08 0.00 0.01 0.00 0.00 42.46 40.82 2fqp s ILE 79 CO 0.07 0.53 0.50 0.21 0.00 0.00 0.00 174.94 176.25 2fqp s ASN 80 N -0.31 6.18 0.00 3.58 2.47 0.30 -0.74 114.94 126.42 2fqp s ASN 80 Ca 0.02 -1.34 0.24 0.00 0.42 0.00 0.00 52.86 52.20 2fqp s ASN 80 Cb -0.11 -2.23 1.14 0.00 -1.45 0.00 0.00 41.25 38.60 2fqp s ASN 80 CO 0.01 -0.80 1.79 -0.81 -3.72 0.00 0.00 177.10 173.57 2fqp n PRO 81 N 5.56 0.20 -2.02 0.43 -0.04 -1.26 -1.06 135.00 136.81 2fqp n PRO 81 Ca -0.11 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 2fqp n PRO 81 Cb 0.43 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2fqp n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2fqp s SER 82 N -2.75 4.94 0.00 3.54 1.04 -1.26 -4.72 113.70 114.48 2fqp s SER 82 Ca 0.18 0.79 0.20 0.00 0.48 0.00 0.00 55.95 57.60 2fqp s SER 82 Cb 0.16 -1.45 0.70 0.00 0.10 0.00 0.00 66.02 65.53 2fqp s SER 82 CO 0.40 -1.60 1.52 -0.90 0.98 0.00 0.00 173.24 173.64 2fqp n ASP 83 N -3.07 1.82 -4.45 7.02 5.68 -1.26 -2.89 116.55 119.40 2fqp n ASP 83 Ca 0.07 -1.75 -0.22 0.00 -0.50 0.00 0.00 54.79 52.40 2fqp n ASP 83 Cb 0.60 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 40.35 2fqp n ASP 83 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2fqp s THR 84 N -1.75 1.39 0.58 2.12 -4.23 -1.26 -4.74 115.64 107.75 2fqp s THR 84 Ca 0.32 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 2fqp s THR 84 Cb 0.18 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2fqp s THR 84 CO 0.26 -0.12 1.27 -0.70 -0.54 0.00 0.00 174.62 174.78 2fqp s GLU 85 N -3.82 2.98 -0.04 3.99 2.12 -1.26 -4.02 118.70 118.65 2fqp s GLU 85 Ca 0.33 1.99 0.02 0.00 0.36 0.00 0.00 54.97 57.68 2fqp s GLU 85 Cb 0.07 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.43 2fqp s GLU 85 CO 0.14 -1.24 -0.10 0.12 -0.54 0.00 0.00 175.26 173.63 2fqp s PHE 86 N -1.46 1.17 -0.02 5.30 2.19 -0.41 -4.98 117.98 119.78 2fqp s PHE 86 Ca 0.76 -0.36 0.03 0.00 0.33 0.00 0.00 56.93 57.69 2fqp s PHE 86 Cb -0.35 -0.86 -0.00 0.00 -1.31 0.00 0.00 43.02 40.50 2fqp s PHE 86 CO 0.39 -0.18 -0.11 0.08 1.83 0.00 0.00 175.22 177.23 2fqp s VAL 87 N 0.46 0.90 0.06 3.12 1.01 -1.26 -0.04 120.40 124.65 2fqp s VAL 87 Ca -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2fqp s VAL 87 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2fqp s VAL 87 CO 0.02 0.27 0.07 0.72 0.00 0.00 0.00 175.10 176.18 2fqp s PHE 88 N 0.03 0.34 -0.16 5.22 -0.12 -0.79 -2.77 117.98 119.73 2fqp s PHE 88 Ca -0.01 -0.81 -0.03 0.00 -0.05 0.00 0.00 56.93 56.04 2fqp s PHE 88 Cb -0.08 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 2fqp s PHE 88 CO 0.00 -0.44 -0.06 0.08 -0.05 0.00 0.00 175.22 174.75 2fqp s VAL 89 N -3.70 3.59 -0.20 -2.49 1.01 -0.40 -0.67 120.40 117.54 2fqp s VAL 89 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2fqp s VAL 89 Cb 0.05 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2fqp s VAL 89 CO -0.10 0.49 -0.03 -0.70 0.00 0.00 0.00 175.10 174.77 2fqp s GLU 90 N 0.52 3.51 -0.43 2.72 2.12 0.27 -0.44 118.70 126.96 2fqp s GLU 90 Ca -0.05 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 2fqp s GLU 90 Cb -0.15 -3.01 0.10 0.00 0.26 0.00 0.00 34.13 31.34 2fqp s GLU 90 CO 0.03 -0.04 0.26 0.42 -0.54 0.00 0.00 175.26 175.39 2fqp s ILE 91 N 1.11 3.89 0.03 -3.70 1.09 0.13 -1.12 121.20 122.62 2fqp s ILE 91 Ca 0.02 -1.73 -0.24 0.00 -1.10 0.00 0.00 60.65 57.59 2fqp s ILE 91 Cb -0.15 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 2fqp s ILE 91 CO 0.00 -0.64 0.73 -1.61 -0.10 0.00 0.00 174.94 173.33 2fqp s GLU 92 N 1.31 4.46 -0.31 2.79 2.02 0.39 -0.46 118.70 128.90 2fqp s GLU 92 Ca 0.05 1.00 -0.11 0.00 0.02 0.00 0.00 54.97 55.92 2fqp s GLU 92 Cb -0.24 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 2fqp s GLU 92 CO -0.01 0.28 0.20 0.42 0.02 0.00 0.00 175.26 176.17 2fqp s ILE 93 N -0.01 5.12 0.50 -1.63 -1.09 -0.50 -1.01 121.20 122.58 2fqp s ILE 93 Ca 0.37 -0.10 -0.19 0.00 -2.23 0.00 0.00 60.65 58.51 2fqp s ILE 93 Cb -0.20 -3.54 -0.08 0.00 -1.58 0.00 0.00 42.46 37.06 2fqp s ILE 93 CO 0.22 0.12 1.01 -0.54 -1.23 0.00 0.00 174.94 174.52 2fqp s LYS 94 N 1.71 3.83 0.00 2.79 1.02 -0.03 -4.33 119.74 124.73 2fqp s LYS 94 Ca 0.06 1.22 0.14 0.00 0.02 0.00 0.00 55.97 57.41 2fqp s LYS 94 Cb -0.17 -2.11 0.86 0.00 -0.52 0.00 0.00 37.83 35.89 2fqp s LYS 94 CO 0.10 -0.39 1.27 0.00 -0.92 0.00 0.00 175.35 175.41