#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zmq s PHE 2 N 0.00 1.10 -0.17 0.00 0.40 -1.26 -5.00 117.98 113.05 1zmq s PHE 2 Ca 0.00 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1zmq s PHE 2 Cb 0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1zmq s PHE 2 CO 0.00 -0.08 -0.05 0.99 0.70 0.00 0.00 175.22 176.78 1zmq s THR 3 N 0.01 3.69 0.08 0.64 2.01 -0.46 -4.94 115.64 116.67 1zmq s THR 3 Ca -0.01 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1zmq s THR 3 Cb -0.08 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1zmq s THR 3 CO 0.00 0.48 -0.11 0.00 -0.69 0.00 0.00 174.62 174.30 1zmq s HIS 5 N -1.94 -0.07 -0.70 0.00 3.76 0.98 -4.95 115.29 112.36 1zmq s HIS 5 Ca 0.01 0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 54.84 1zmq s HIS 5 Cb -0.06 0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.69 1zmq s HIS 5 CO 0.01 -0.09 1.18 0.00 -0.85 0.00 0.00 174.74 174.99 1zmq s ARG 7 N 5.17 1.45 0.19 0.00 0.52 0.05 -4.84 118.95 121.49 1zmq s ARG 7 Ca 0.32 -1.43 -0.13 0.00 -0.52 0.00 0.00 55.73 53.97 1zmq s ARG 7 Cb -0.10 -1.86 0.10 0.00 0.52 0.00 0.00 34.95 33.61 1zmq s ARG 7 CO 0.15 0.42 1.85 -0.09 0.02 0.00 0.00 175.30 177.65 1zmq h ARG 8 N 3.54 0.77 -3.74 3.54 2.43 -1.90 0.59 114.38 119.62 1zmq h ARG 8 Ca -0.49 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.44 1zmq h ARG 8 Cb 1.19 -0.17 -0.25 0.00 -0.42 0.00 0.00 29.97 30.31 1zmq h ARG 8 CO 0.43 0.51 -0.67 -1.54 -1.51 0.00 0.00 179.97 177.19 1zmq s SER 9 N -5.72 0.05 0.46 -3.80 1.04 -1.26 -4.50 113.70 99.96 1zmq s SER 9 Ca -0.13 -0.12 -0.23 0.00 0.48 0.00 0.00 55.95 55.95 1zmq s SER 9 Cb 0.13 0.09 -0.07 0.00 0.10 0.00 0.00 66.02 66.27 1zmq s SER 9 CO 0.75 -0.12 1.19 0.00 0.98 0.00 0.00 173.24 176.05 1zmq s TYR 11 N -1.48 1.82 0.54 0.00 2.02 -1.26 -4.87 117.35 114.12 1zmq s TYR 11 Ca 0.63 1.74 0.22 0.00 -0.37 0.00 0.00 57.07 59.28 1zmq s TYR 11 Cb -0.31 -3.31 1.48 0.00 -0.40 0.00 0.00 41.96 39.42 1zmq s TYR 11 CO 0.38 -2.62 2.18 0.66 -1.57 0.00 0.00 175.55 174.57 1zmq h SER 12 N -1.59 0.00 0.43 2.29 4.64 -2.03 0.89 113.55 118.17 1zmq h SER 12 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1zmq h SER 12 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1zmq h SER 12 CO 0.44 0.02 -0.02 0.35 -0.87 0.00 0.00 176.83 176.75 1zmq n THR 13 N -4.21 0.00 -3.69 2.95 -2.24 -1.26 -4.89 114.28 100.94 1zmq n THR 13 Ca -0.03 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1zmq n THR 13 Cb 0.10 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 1zmq n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1zmq s GLU 14 N -2.44 2.49 0.01 -0.78 2.02 0.30 -4.72 118.70 115.58 1zmq s GLU 14 Ca 0.32 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 1zmq s GLU 14 Cb 0.21 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1zmq s GLU 14 CO 0.45 -0.15 0.03 -0.47 0.02 0.00 0.00 175.26 175.14 1zmq s TYR 15 N -2.48 0.14 -0.18 1.61 5.04 -0.88 -4.78 117.35 115.82 1zmq s TYR 15 Ca 0.46 -0.28 -0.19 0.00 -2.44 0.00 0.00 57.07 54.61 1zmq s TYR 15 Cb -0.02 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 1zmq s TYR 15 CO 0.27 -0.19 0.56 0.45 -1.34 0.00 0.00 175.55 175.30 1zmq s SER 16 N -1.15 6.64 0.00 4.32 0.15 -1.26 -0.69 113.70 121.71 1zmq s SER 16 Ca -0.13 0.77 0.19 0.00 0.70 0.00 0.00 55.95 57.49 1zmq s SER 16 Cb -0.07 -2.32 0.17 0.00 -1.71 0.00 0.00 66.02 62.09 1zmq s SER 16 CO -0.00 -0.18 1.13 -1.22 1.20 0.00 0.00 173.24 174.16 1zmq n TYR 17 N 4.67 0.05 -0.45 3.44 4.02 -0.05 -4.96 117.16 123.87 1zmq n TYR 17 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1zmq n TYR 17 Cb 0.50 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1zmq n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1zmq n GLY 18 N 1.09 -0.55 3.12 2.72 0.00 -1.26 -4.97 105.19 105.35 1zmq n GLY 18 Ca 0.12 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1zmq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zmq s THR 19 N -3.88 1.17 -0.14 2.61 2.01 -1.26 -0.81 115.64 115.33 1zmq s THR 19 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1zmq s THR 19 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 1zmq s THR 19 CO 0.00 0.29 -0.15 0.00 -0.69 0.00 0.00 174.62 174.07 1zmq s THR 21 N 0.63 1.56 -0.21 0.00 2.01 -1.26 -0.28 115.64 118.09 1zmq s THR 21 Ca -0.08 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1zmq s THR 21 Cb -0.16 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.04 1zmq s THR 21 CO 0.03 0.45 0.00 -0.69 -0.69 0.00 0.00 174.62 173.72 1zmq s VAL 22 N 0.42 0.92 0.00 3.82 1.01 -0.41 -5.01 120.40 121.16 1zmq s VAL 22 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1zmq s VAL 22 Cb -0.16 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1zmq s VAL 22 CO 0.06 -0.19 0.00 0.23 0.00 0.00 0.00 175.10 175.19 1zmq n MET 23 N 4.90 0.00 -0.03 2.72 2.81 -1.26 -0.40 117.12 125.86 1zmq n MET 23 Ca -0.10 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.81 1zmq n MET 23 Cb 0.46 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.03 1zmq n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zmq n GLY 24 N 0.00 -0.67 3.59 3.03 0.00 -1.26 -4.81 105.19 105.07 1zmq n GLY 24 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1zmq n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zmq s ILE 25 N -1.91 4.59 -0.28 -0.61 1.01 0.47 -5.07 121.20 119.39 1zmq s ILE 25 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1zmq s ILE 25 Cb 0.03 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.48 1zmq s ILE 25 CO 0.04 0.45 -0.04 0.20 0.00 0.00 0.00 174.94 175.59 1zmq s ASN 26 N 0.48 4.65 0.44 3.58 0.01 -1.26 -1.28 114.94 121.56 1zmq s ASN 26 Ca 0.02 -1.23 0.03 0.00 -0.71 0.00 0.00 52.86 50.96 1zmq s ASN 26 Cb -0.13 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 39.88 1zmq s ASN 26 CO 0.01 -0.22 0.63 -1.00 -1.51 0.00 0.00 177.10 175.01 1zmq s HIS 27 N 1.22 3.10 0.10 2.20 3.76 0.62 -4.88 115.29 121.40 1zmq s HIS 27 Ca -0.05 0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.79 1zmq s HIS 27 Cb -0.19 -2.31 -0.06 0.00 1.11 0.00 0.00 32.58 31.13 1zmq s HIS 27 CO -0.03 -0.36 0.39 1.03 -0.85 0.00 0.00 174.74 174.92 1zmq s ARG 28 N -4.48 3.71 -0.94 1.40 1.81 0.21 -1.03 118.95 119.62 1zmq s ARG 28 Ca 0.50 0.09 -0.20 0.00 -1.72 0.00 0.00 55.73 54.40 1zmq s ARG 28 Cb -0.10 -2.95 0.12 0.00 -0.45 0.00 0.00 34.95 31.57 1zmq s ARG 28 CO 0.36 0.53 1.19 0.12 -0.68 0.00 0.00 175.30 176.81 1zmq s PHE 29 N -1.48 3.01 -0.10 -0.53 5.36 0.01 -0.77 117.98 123.47 1zmq s PHE 29 Ca 0.35 -1.28 -0.22 0.00 -0.96 0.00 0.00 56.93 54.82 1zmq s PHE 29 Cb -0.13 -4.36 -0.03 0.00 -0.34 0.00 0.00 43.02 38.15 1zmq s PHE 29 CO 0.20 -1.57 0.65 0.00 -1.46 0.00 0.00 175.22 173.03