#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fqp s PRO 4 N 0.00 2.17 0.04 5.56 0.04 -1.26 -4.81 135.00 136.74 2fqp s PRO 4 Ca 0.00 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2fqp s PRO 4 Cb 0.00 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2fqp s PRO 4 CO 0.00 -1.85 0.60 0.20 0.04 0.00 0.00 177.00 175.99 2fqp s GLY 5 N -1.72 2.66 0.65 0.56 0.00 -1.26 -1.17 107.32 107.05 2fqp s GLY 5 Ca 0.79 0.06 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2fqp s GLY 5 CO 0.44 0.65 1.12 0.00 0.00 0.00 0.00 173.10 175.31 2fqp s ALA 6 N -0.64 2.47 -0.31 3.20 0.00 -0.19 -4.58 121.76 121.71 2fqp s ALA 6 Ca 0.31 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 2fqp s ALA 6 Cb -0.19 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2fqp s ALA 6 CO 0.19 -1.26 0.03 0.42 0.00 0.00 0.00 175.76 175.14 2fqp s ILE 7 N -2.25 3.31 -0.06 0.00 1.01 0.46 -4.90 121.20 118.76 2fqp s ILE 7 Ca 0.68 -1.20 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 2fqp s ILE 7 Cb -0.21 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2fqp s ILE 7 CO 0.40 -0.07 0.81 -2.16 0.00 0.00 0.00 174.94 173.91 2fqp s PRO 8 N 1.33 4.45 -0.18 2.79 0.04 -1.26 -1.36 135.00 140.81 2fqp s PRO 8 Ca -0.03 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.09 2fqp s PRO 8 Cb -0.19 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.89 2fqp s PRO 8 CO 0.00 -0.04 -0.19 0.99 0.04 0.00 0.00 177.00 177.80 2fqp s THR 9 N 1.10 2.16 -0.12 1.26 2.01 0.47 -4.97 115.64 117.54 2fqp s THR 9 Ca 0.42 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 2fqp s THR 9 Cb -0.18 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2fqp s THR 9 CO 0.20 0.53 1.06 -0.69 -0.69 0.00 0.00 174.62 175.03 2fqp s VAL 10 N 1.24 4.65 -0.19 3.82 1.01 -1.26 -0.41 120.40 129.25 2fqp s VAL 10 Ca 0.03 1.94 0.09 0.00 0.00 0.00 0.00 61.98 64.04 2fqp s VAL 10 Cb -0.13 -4.25 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 2fqp s VAL 10 CO -0.11 -0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.02 2fqp n GLN 11 N 5.37 0.68 -3.80 2.72 6.02 0.92 -4.96 117.38 124.33 2fqp n GLN 11 Ca 0.10 0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 2fqp n GLN 11 Cb 0.48 -1.57 -0.14 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.02 -0.41 5.09 1.01 -1.13 -4.98 121.20 118.23 2fqp s ILE 12 Ca -0.20 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2fqp s ILE 12 Cb 0.07 -0.14 0.17 0.00 0.01 0.00 0.00 42.46 42.57 2fqp s ILE 12 CO 0.74 0.04 0.41 -0.62 0.00 0.00 0.00 174.94 175.51 2fqp s ASP 13 N 0.54 0.96 0.00 3.58 2.15 -1.26 -0.37 116.67 122.27 2fqp s ASP 13 Ca -0.04 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.71 2fqp s ASP 13 Cb -0.06 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 2fqp s ASP 13 CO -0.02 -0.19 0.00 -0.46 -0.17 0.00 0.00 175.17 174.33 2fqp n ASN 14 N 3.46 1.78 0.18 -0.34 0.23 -0.54 -5.00 115.26 115.04 2fqp n ASN 14 Ca 0.20 -0.39 0.14 0.00 -0.53 0.00 0.00 54.58 53.99 2fqp n ASN 14 Cb 0.47 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.72 2fqp n ASN 14 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2fqp h GLU 15 N 0.00 0.00 0.00 -3.83 9.09 -2.03 -3.32 114.58 114.49 2fqp h GLU 15 Ca 0.00 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.14 2fqp h GLU 15 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 2fqp h GLU 15 CO 0.00 0.00 -2.03 0.54 0.05 0.00 0.00 179.01 177.57 2fqp n ARG 16 N -2.56 0.74 -3.85 1.06 5.12 -1.26 -4.77 116.66 111.14 2fqp n ARG 16 Ca 0.02 0.08 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 2fqp n ARG 16 Cb 0.27 -1.37 -0.07 0.00 -1.16 0.00 0.00 32.46 30.14 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 -2.36 0.12 -0.13 1.55 -7.23 -1.25 -1.29 120.40 109.81 2fqp s VAL 17 Ca -0.21 -1.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2fqp s VAL 17 Cb 0.06 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.62 2fqp s VAL 17 CO 0.46 -0.56 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.83 2fqp s LYS 18 N -3.87 1.92 -0.20 4.82 2.20 -0.64 -1.46 119.74 122.50 2fqp s LYS 18 Ca 0.07 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.23 2fqp s LYS 18 Cb 0.04 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 2fqp s LYS 18 CO -0.09 -0.25 -0.05 0.08 -0.36 0.00 0.00 175.35 174.68 2fqp s VAL 19 N 1.59 3.42 -0.08 4.02 1.01 0.50 -0.56 120.40 130.30 2fqp s VAL 19 Ca 0.05 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2fqp s VAL 19 Cb -0.13 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2fqp s VAL 19 CO -0.09 0.44 -0.18 -0.89 0.00 0.00 0.00 175.10 174.38 2fqp s THR 20 N 1.20 1.61 -0.08 3.92 2.01 -0.03 -0.05 115.64 124.21 2fqp s THR 20 Ca 0.02 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 2fqp s THR 20 Cb -0.14 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 2fqp s THR 20 CO -0.01 0.46 0.89 -0.70 -0.69 0.00 0.00 174.62 174.57 2fqp s GLU 21 N 0.52 4.43 -0.28 4.92 2.12 0.46 -0.48 118.70 130.40 2fqp s GLU 21 Ca -0.16 1.20 -0.05 0.00 0.36 0.00 0.00 54.97 56.32 2fqp s GLU 21 Cb -0.17 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.72 2fqp s GLU 21 CO 0.06 -0.17 0.03 -1.58 -0.54 0.00 0.00 175.26 173.07 2fqp s TRP 22 N 1.52 3.11 -0.29 5.30 0.52 0.12 -0.40 118.94 128.84 2fqp s TRP 22 Ca 0.45 -1.11 -0.05 0.00 0.02 0.00 0.00 56.10 55.40 2fqp s TRP 22 Cb -0.18 -2.19 0.02 0.00 -1.15 0.00 0.00 33.47 29.96 2fqp s TRP 22 CO 0.19 -0.61 0.05 0.50 0.02 0.00 0.00 176.95 177.10 2fqp s ARG 23 N 1.46 3.00 -0.28 4.98 3.52 -0.47 -1.91 118.95 129.25 2fqp s ARG 23 Ca 0.02 -0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 54.60 2fqp s ARG 23 Cb -0.17 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2fqp s ARG 23 CO 0.00 -0.45 0.22 -0.06 -0.81 0.00 0.00 175.30 174.20 2fqp s PHE 24 N 1.45 3.23 0.95 5.12 0.40 0.15 -0.41 117.98 128.87 2fqp s PHE 24 Ca 0.02 0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 2fqp s PHE 24 Cb -0.17 -2.41 0.16 0.00 0.51 0.00 0.00 43.02 41.11 2fqp s PHE 24 CO 0.01 -0.16 1.09 -2.14 0.70 0.00 0.00 175.22 174.71 2fqp s PRO 25 N 1.78 0.80 0.16 0.24 0.02 -1.26 -1.67 135.00 135.07 2fqp s PRO 25 Ca 0.08 0.97 -0.34 0.00 0.02 0.00 0.00 61.00 61.74 2fqp s PRO 25 Cb -0.16 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.47 2fqp s PRO 25 CO 0.11 -2.60 1.40 -2.30 -0.33 0.00 0.00 177.00 173.28 2fqp n PRO 26 N -4.15 1.68 -0.89 5.54 -0.02 -1.26 -1.09 135.00 134.82 2fqp n PRO 26 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2fqp n PRO 26 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.62 0.55 3.81 -1.23 0.00 0.26 -4.83 105.19 106.37 2fqp n GLY 27 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 1.99 0.12 -0.02 0.00 -0.25 -4.33 107.32 102.84 2fqp s GLY 28 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.05 2fqp s GLY 28 CO 0.00 0.59 -0.13 -1.83 0.00 0.00 0.00 173.10 171.73 2fqp s GLU 29 N -4.34 1.00 0.26 2.90 -1.05 -0.31 -0.88 118.70 116.28 2fqp s GLU 29 Ca 0.61 -1.27 0.14 0.00 -0.15 0.00 0.00 54.97 54.31 2fqp s GLU 29 Cb -0.15 -0.79 0.14 0.00 -0.44 0.00 0.00 34.13 32.89 2fqp s GLU 29 CO 0.41 0.14 1.47 1.79 0.95 0.00 0.00 175.26 180.02 2fqp h THR 30 N 3.38 1.07 0.00 1.83 1.35 -1.23 -0.49 112.91 118.83 2fqp h THR 30 Ca -0.39 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2fqp h THR 30 Cb 1.19 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2fqp h THR 30 CO 0.53 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 2fqp n GLY 31 N 1.02 -2.59 3.75 5.82 0.00 -1.26 -4.91 105.19 107.02 2fqp n GLY 31 Ca 0.01 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.45 2.79 0.18 1.61 0.52 -1.26 -4.44 118.94 114.89 2fqp s TRP 32 Ca 0.00 0.80 -0.16 0.00 0.02 0.00 0.00 56.10 56.77 2fqp s TRP 32 Cb 0.00 -4.04 0.02 0.00 -1.15 0.00 0.00 33.47 28.30 2fqp s TRP 32 CO 0.00 -3.49 0.46 -3.38 0.02 0.00 0.00 176.95 170.56 2fqp s HIS 33 N 0.01 -0.03 -0.08 -1.98 -3.43 -0.45 -4.97 115.29 104.37 2fqp s HIS 33 Ca 0.63 -0.32 0.05 0.00 -0.80 0.00 0.00 55.06 54.62 2fqp s HIS 33 Cb -0.47 0.29 -0.00 0.00 -1.43 0.00 0.00 32.58 30.97 2fqp s HIS 33 CO 0.47 -0.85 -0.24 0.50 -2.00 0.00 0.00 174.74 172.62 2fqp s ARG 34 N -3.88 2.79 -0.14 -0.38 3.52 -1.26 -1.50 118.95 118.10 2fqp s ARG 34 Ca 0.10 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 2fqp s ARG 34 Cb 0.00 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 2fqp s ARG 34 CO -0.03 0.23 1.21 -1.01 -0.81 0.00 0.00 175.30 174.89 2fqp s HIS 35 N 0.20 3.02 -0.57 5.12 3.76 -0.05 -4.96 115.29 121.80 2fqp s HIS 35 Ca -0.14 1.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 2fqp s HIS 35 Cb -0.16 -3.45 0.33 0.00 1.11 0.00 0.00 32.58 30.41 2fqp s HIS 35 CO 0.07 -1.41 1.11 -1.13 -0.85 0.00 0.00 174.74 172.52 2fqp n SER 36 N 6.14 3.08 -4.81 1.40 3.41 -1.26 -0.43 113.62 121.15 2fqp n SER 36 Ca 0.13 -2.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.92 2fqp n SER 36 Cb 0.45 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 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 -0.25 7.11 0.07 4.04 1.01 -1.26 -4.80 116.67 122.60 2fqp s ASP 38 Ca 0.23 1.49 -0.12 0.00 0.71 0.00 0.00 52.55 54.86 2fqp s ASP 38 Cb 0.18 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.68 2fqp s ASP 38 CO 0.06 0.03 0.26 -0.72 0.21 0.00 0.00 175.17 175.01 2fqp s TYR 39 N -1.52 -0.01 -0.04 4.23 1.13 -0.05 -1.00 117.35 120.08 2fqp s TYR 39 Ca 0.44 -0.27 0.06 0.00 -1.41 0.00 0.00 57.07 55.89 2fqp s TYR 39 Cb -0.17 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2fqp s TYR 39 CO 0.22 -0.54 -0.22 0.08 -2.51 0.00 0.00 175.55 172.57 2fqp s VAL 40 N -3.20 2.34 -0.20 -3.49 1.01 0.16 -1.23 120.40 115.79 2fqp s VAL 40 Ca -0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2fqp s VAL 40 Cb 0.02 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2fqp s VAL 40 CO -0.07 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2fqp s VAL 41 N -0.48 3.58 -0.41 2.92 1.01 0.28 -0.15 120.40 127.14 2fqp s VAL 41 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2fqp s VAL 41 Cb -0.11 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.74 2fqp s VAL 41 CO 0.01 0.44 0.25 -0.69 0.00 0.00 0.00 175.10 175.11 2fqp s VAL 42 N 1.07 4.10 0.69 2.92 1.01 0.30 -2.06 120.40 128.43 2fqp s VAL 42 Ca 0.01 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 2fqp s VAL 42 Cb -0.15 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 32.88 2fqp s VAL 42 CO 0.00 -0.51 0.59 -2.65 0.00 0.00 0.00 175.10 172.53 2fqp n PRO 43 N 4.88 -2.34 0.00 2.72 -0.02 -1.26 -1.03 135.00 137.94 2fqp n PRO 43 Ca -0.09 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 2fqp n PRO 43 Cb 0.43 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 -3.88 0.00 -3.39 3.45 -1.04 -1.13 -1.05 114.28 107.23 2fqp n THR 45 Ca 0.08 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.72 2fqp n THR 45 Cb 0.32 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.77 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 5.22 0.00 12.58 2.01 -1.26 -3.64 115.64 130.54 2fqp s THR 46 Ca 0.00 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.82 2fqp s THR 46 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2fqp s THR 46 CO 0.00 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2fqp n GLY 47 N 3.23 0.19 3.78 4.40 0.00 -0.58 -4.94 105.19 111.28 2fqp n GLY 47 Ca -0.09 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.00 4.55 0.08 1.61 0.04 -1.26 -1.11 135.00 136.91 2fqp s PRO 48 Ca 0.00 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.41 2fqp s PRO 48 Cb 0.00 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2fqp s PRO 48 CO 0.00 0.29 -0.22 -0.51 0.04 0.00 0.00 177.00 176.60 2fqp s LEU 49 N -2.06 2.46 -0.26 -3.56 1.43 0.76 -4.43 118.68 113.02 2fqp s LEU 49 Ca 0.50 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2fqp s LEU 49 Cb -0.18 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2fqp s LEU 49 CO 0.23 0.22 0.15 -0.22 0.23 0.00 0.00 176.35 176.96 2fqp s LEU 50 N -1.68 3.84 -0.22 1.79 2.96 -0.30 -0.47 118.68 124.61 2fqp s LEU 50 Ca 0.14 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2fqp s LEU 50 Cb -0.10 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 2fqp s LEU 50 CO 0.06 -0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.26 2fqp s LEU 51 N 1.61 2.90 -0.17 -0.68 1.02 0.92 -0.21 118.68 124.07 2fqp s LEU 51 Ca 0.07 -0.40 -0.23 0.00 0.02 0.00 0.00 54.13 53.59 2fqp s LEU 51 Cb -0.15 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2fqp s LEU 51 CO 0.08 -0.02 0.71 -1.61 0.02 0.00 0.00 176.35 175.53 2fqp s GLU 52 N 1.48 4.27 0.22 1.70 0.41 0.45 -0.57 118.70 126.65 2fqp s GLU 52 Ca 0.06 0.79 0.03 0.00 -0.41 0.00 0.00 54.97 55.44 2fqp s GLU 52 Cb -0.14 -3.56 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 2fqp s GLU 52 CO -0.03 -0.23 0.00 0.95 -0.49 0.00 0.00 175.26 175.46 2fqp s THR 53 N 1.85 0.92 0.66 3.63 -4.23 -0.73 -1.11 115.64 116.64 2fqp s THR 53 Ca 0.33 -2.02 0.41 0.00 -1.18 0.00 0.00 61.69 59.24 2fqp s THR 53 Cb -0.16 -2.29 0.42 0.00 1.34 0.00 0.00 72.50 71.80 2fqp s THR 53 CO 0.12 -0.35 2.29 -0.65 -0.54 0.00 0.00 174.62 175.48 2fqp h PRO 54 N 2.53 0.00 -0.44 3.99 0.11 -1.97 -0.73 132.00 135.49 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 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2fqp h PRO 54 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 2fqp n GLU 55 N -3.10 2.22 0.00 1.05 4.71 -1.26 -5.08 120.64 119.18 2fqp n GLU 55 Ca -0.03 -1.88 0.00 0.00 -0.01 0.00 0.00 57.16 55.24 2fqp n GLU 55 Cb 0.13 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 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 1.36 -0.99 3.73 0.62 0.00 -0.28 -5.01 105.19 104.62 2fqp n GLY 56 Ca 0.18 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2fqp n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fqp s SER 57 N -4.00 7.47 -0.07 1.61 0.01 -1.26 -1.77 113.70 115.70 2fqp s SER 57 Ca 0.00 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.06 2fqp s SER 57 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2fqp s SER 57 CO 0.00 -0.10 -0.07 -0.69 0.41 0.00 0.00 173.24 172.79 2fqp s VAL 58 N 0.12 0.81 -0.21 3.43 1.01 0.26 -4.98 120.40 120.84 2fqp s VAL 58 Ca 0.48 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2fqp s VAL 58 Cb -0.23 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2fqp s VAL 58 CO 0.30 0.30 0.14 -0.89 0.00 0.00 0.00 175.10 174.95 2fqp s THR 59 N 1.10 5.40 -0.02 3.92 2.01 -1.26 -0.05 115.64 126.74 2fqp s THR 59 Ca -0.07 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.20 2fqp s THR 59 Cb -0.14 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2fqp s THR 59 CO -0.01 0.42 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.68 2fqp s SER 60 N 0.51 2.60 -0.28 3.53 0.01 0.38 -4.96 113.70 115.48 2fqp s SER 60 Ca 0.08 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 2fqp s SER 60 Cb -0.12 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 2fqp s SER 60 CO -0.00 0.27 0.67 -1.58 0.41 0.00 0.00 173.24 173.01 2fqp s GLN 61 N -0.54 4.02 0.02 12.44 2.00 -1.26 -0.17 119.66 136.17 2fqp s GLN 61 Ca 0.09 0.50 -0.01 0.00 -2.00 0.00 0.00 55.36 53.94 2fqp s GLN 61 Cb -0.09 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 2fqp s GLN 61 CO -0.01 -0.52 0.15 -0.51 -0.50 0.00 0.00 175.29 173.90 2fqp s LEU 62 N 2.64 4.17 -0.09 3.68 1.02 -0.26 -5.00 118.68 124.85 2fqp s LEU 62 Ca 0.28 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.68 2fqp s LEU 62 Cb -0.15 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.48 2fqp s LEU 62 CO 0.10 0.23 -0.15 -0.89 0.02 0.00 0.00 176.35 175.66 2fqp s THR 63 N -1.34 1.43 0.08 5.49 2.01 -1.26 -1.53 115.64 120.52 2fqp s THR 63 Ca 0.28 -0.63 -0.36 0.00 0.31 0.00 0.00 61.69 61.30 2fqp s THR 63 Cb -0.12 -1.29 -0.15 0.00 0.01 0.00 0.00 72.50 70.94 2fqp s THR 63 CO 0.20 0.42 1.47 -1.14 -0.69 0.00 0.00 174.62 174.88 2fqp n ARG 64 N 3.93 1.55 -0.90 4.92 0.63 -1.24 -1.51 116.66 124.04 2fqp n ARG 64 Ca -0.21 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 2fqp n ARG 64 Cb 0.52 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 3.01 0.93 3.21 5.14 0.00 -0.21 -4.98 105.19 112.29 2fqp n GLY 65 Ca 0.18 0.00 -0.39 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 3.98 0.56 1.61 1.01 -0.57 -4.95 120.40 118.32 2fqp s VAL 66 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 2fqp s VAL 66 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2fqp s VAL 66 CO 0.00 -0.64 0.97 -0.94 0.00 0.00 0.00 175.10 174.49 2fqp s SER 67 N 2.25 6.35 0.21 3.32 1.04 -1.26 -4.46 113.70 121.15 2fqp s SER 67 Ca 0.05 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 2fqp s SER 67 Cb -0.24 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2fqp s SER 67 CO -0.01 -0.73 0.44 -0.72 0.98 0.00 0.00 173.24 173.20 2fqp s TYR 68 N -2.93 0.24 0.08 5.02 -0.85 -0.88 -4.99 117.35 113.03 2fqp s TYR 68 Ca 0.55 -0.59 0.06 0.00 -0.52 0.00 0.00 57.07 56.56 2fqp s TYR 68 Cb -0.11 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 2fqp s TYR 68 CO 0.46 -0.90 -0.17 -0.08 -1.52 0.00 0.00 175.55 173.34 2fqp s THR 69 N -3.96 1.34 0.07 -3.49 -1.32 -1.26 -0.56 115.64 106.46 2fqp s THR 69 Ca 0.17 -1.36 0.02 0.00 -1.21 0.00 0.00 61.69 59.31 2fqp s THR 69 Cb 0.00 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 2fqp s THR 69 CO 0.03 -0.13 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.11 2fqp s ARG 70 N -1.72 0.69 0.43 7.08 0.52 -0.37 -5.00 118.95 120.57 2fqp s ARG 70 Ca 0.02 -1.07 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 2fqp s ARG 70 Cb -0.10 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 2fqp s ARG 70 CO 0.03 0.01 0.72 -1.25 0.02 0.00 0.00 175.30 174.83 2fqp s PRO 71 N -2.79 3.56 0.25 3.54 0.04 -1.26 -0.88 135.00 137.47 2fqp s PRO 71 Ca 0.02 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 2fqp s PRO 71 Cb -0.02 -2.46 -0.15 0.00 0.04 0.00 0.00 34.50 31.92 2fqp s PRO 71 CO -0.02 -0.08 0.89 -1.91 0.04 0.00 0.00 177.00 175.91 2fqp n GLU 72 N -1.95 0.95 0.00 4.56 2.13 -1.26 -2.82 120.64 122.25 2fqp n GLU 72 Ca -0.00 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2fqp n GLU 72 Cb 0.55 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.65 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 1.50 1.17 3.68 8.31 0.00 0.43 -4.92 105.19 115.36 2fqp n GLY 73 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.64 0.10 -4.43 1.61 0.31 -1.13 -4.70 118.33 108.45 2fqp n VAL 74 Ca 0.00 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.03 2fqp n VAL 74 Cb 0.00 -1.71 -0.17 0.00 -0.91 0.00 0.00 33.84 31.06 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 1.46 2.11 0.06 5.55 2.12 -1.26 -0.87 118.70 127.87 2fqp s GLU 75 Ca 0.80 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 55.33 2fqp s GLU 75 Cb -0.63 -1.81 0.09 0.00 0.26 0.00 0.00 34.13 32.04 2fqp s GLU 75 CO 0.38 -0.07 1.08 -3.38 -0.54 0.00 0.00 175.26 172.73 2fqp s HIS 76 N 1.00 -0.12 -0.11 5.30 -3.43 -0.56 -4.23 115.29 113.14 2fqp s HIS 76 Ca -0.07 -0.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.14 2fqp s HIS 76 Cb -0.15 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.59 2fqp s HIS 76 CO -0.01 -0.57 -0.20 1.21 -2.00 0.00 0.00 174.74 173.16 2fqp s ASN 77 N -2.85 3.42 -0.16 7.38 2.47 -0.27 -1.34 114.94 123.59 2fqp s ASN 77 Ca 0.12 -0.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.87 2fqp s ASN 77 Cb 0.01 -1.48 -0.03 0.00 -1.45 0.00 0.00 41.25 38.29 2fqp s ASN 77 CO -0.01 0.16 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.83 2fqp s VAL 78 N 0.35 4.17 0.01 -5.21 1.01 -1.26 -0.41 120.40 119.05 2fqp s VAL 78 Ca -0.16 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2fqp s VAL 78 Cb -0.17 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2fqp s VAL 78 CO 0.08 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2fqp s ILE 79 N 0.38 1.32 -0.53 2.22 1.01 0.71 -0.66 121.20 125.65 2fqp s ILE 79 Ca -0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 2fqp s ILE 79 Cb -0.14 -1.13 0.07 0.00 0.01 0.00 0.00 42.46 41.27 2fqp s ILE 79 CO 0.02 0.27 0.63 0.21 0.00 0.00 0.00 174.94 176.07 2fqp s ASN 80 N -0.67 6.21 -0.06 3.58 2.47 -0.06 -1.14 114.94 125.27 2fqp s ASN 80 Ca 0.06 -1.06 0.06 0.00 0.42 0.00 0.00 52.86 52.33 2fqp s ASN 80 Cb -0.07 -2.29 0.28 0.00 -1.45 0.00 0.00 41.25 37.72 2fqp s ASN 80 CO 0.00 -0.94 1.04 -0.81 -3.72 0.00 0.00 177.10 172.68 2fqp n PRO 81 N 6.17 2.15 -3.62 0.43 -0.04 -1.26 -0.57 135.00 138.25 2fqp n PRO 81 Ca -0.08 -1.09 -0.22 0.00 -0.04 0.00 0.00 63.50 62.08 2fqp n PRO 81 Cb 0.45 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2fqp n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2fqp s SER 82 N -0.54 4.93 -0.01 3.54 0.01 -1.26 -4.94 113.70 115.43 2fqp s SER 82 Ca 0.19 -0.88 0.17 0.00 1.31 0.00 0.00 55.95 56.74 2fqp s SER 82 Cb 0.13 -0.26 0.51 0.00 0.21 0.00 0.00 66.02 66.61 2fqp s SER 82 CO 0.08 -0.81 1.42 -0.90 0.41 0.00 0.00 173.24 173.44 2fqp n ASP 83 N -1.64 3.15 -4.42 2.44 5.68 -1.26 -3.40 116.55 117.10 2fqp n ASP 83 Ca 0.03 -2.06 -0.21 0.00 -0.50 0.00 0.00 54.79 52.06 2fqp n ASP 83 Cb 0.62 -0.40 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 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 -1.33 1.36 0.52 2.12 -4.23 -1.26 -4.81 115.64 108.00 2fqp s THR 84 Ca 0.38 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 2fqp s THR 84 Cb 0.21 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 2fqp s THR 84 CO 0.25 -0.20 1.21 -0.70 -0.54 0.00 0.00 174.62 174.63 2fqp s GLU 85 N -3.81 3.41 -0.04 3.99 2.12 -1.26 -4.03 118.70 119.08 2fqp s GLU 85 Ca 0.32 1.85 0.03 0.00 0.36 0.00 0.00 54.97 57.53 2fqp s GLU 85 Cb 0.06 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2fqp s GLU 85 CO 0.13 -0.86 -0.11 0.12 -0.54 0.00 0.00 175.26 173.99 2fqp s PHE 86 N -1.54 1.20 -0.02 5.30 2.19 -0.67 -4.98 117.98 119.46 2fqp s PHE 86 Ca 0.69 -0.34 0.03 0.00 0.33 0.00 0.00 56.93 57.65 2fqp s PHE 86 Cb -0.31 -0.85 -0.00 0.00 -1.31 0.00 0.00 43.02 40.55 2fqp s PHE 86 CO 0.36 -0.14 -0.11 0.08 1.83 0.00 0.00 175.22 177.24 2fqp s VAL 87 N 0.25 0.87 0.06 3.12 1.01 -1.26 0.31 120.40 124.76 2fqp s VAL 87 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2fqp s VAL 87 Cb -0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2fqp s VAL 87 CO 0.01 0.26 0.06 0.72 0.00 0.00 0.00 175.10 176.15 2fqp s PHE 88 N -0.08 0.33 -0.15 5.22 -0.12 -0.80 -2.85 117.98 119.52 2fqp s PHE 88 Ca 0.01 -0.77 -0.05 0.00 -0.05 0.00 0.00 56.93 56.07 2fqp s PHE 88 Cb -0.06 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 2fqp s PHE 88 CO 0.00 -0.42 0.00 0.08 -0.05 0.00 0.00 175.22 174.83 2fqp s VAL 89 N -3.51 4.27 -0.17 -2.49 1.01 -0.20 -0.70 120.40 118.61 2fqp s VAL 89 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2fqp s VAL 89 Cb 0.04 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 2fqp s VAL 89 CO -0.09 0.51 -0.13 -0.70 0.00 0.00 0.00 175.10 174.69 2fqp s GLU 90 N 0.11 3.26 -0.40 2.72 2.12 0.37 -0.54 118.70 126.35 2fqp s GLU 90 Ca 0.02 -0.72 -0.08 0.00 0.36 0.00 0.00 54.97 54.55 2fqp s GLU 90 Cb -0.13 -2.71 0.07 0.00 0.26 0.00 0.00 34.13 31.62 2fqp s GLU 90 CO 0.02 -0.02 0.21 0.42 -0.54 0.00 0.00 175.26 175.34 2fqp s ILE 91 N 0.94 3.98 -0.09 -3.70 1.09 0.79 -0.86 121.20 123.36 2fqp s ILE 91 Ca -0.02 -1.42 -0.22 0.00 -1.10 0.00 0.00 60.65 57.89 2fqp s ILE 91 Cb -0.15 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 2fqp s ILE 91 CO -0.01 -0.44 0.63 -1.61 -0.10 0.00 0.00 174.94 173.40 2fqp s GLU 92 N 1.38 4.39 -0.26 2.79 2.02 0.28 -0.66 118.70 128.63 2fqp s GLU 92 Ca 0.02 0.74 -0.19 0.00 0.02 0.00 0.00 54.97 55.56 2fqp s GLU 92 Cb -0.22 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2fqp s GLU 92 CO 0.01 0.07 0.55 0.42 0.02 0.00 0.00 175.26 176.33 2fqp s ILE 93 N 0.84 5.04 -2.27 -1.63 -1.09 -0.17 -1.63 121.20 120.29 2fqp s ILE 93 Ca 0.34 0.93 0.30 0.00 -2.23 0.00 0.00 60.65 59.98 2fqp s ILE 93 Cb -0.17 -3.87 0.72 0.00 -1.58 0.00 0.00 42.46 37.56 2fqp s ILE 93 CO 0.15 0.05 1.97 0.29 -1.23 0.00 0.00 174.94 176.17