#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2i s PRO 2 N 0.00 4.07 0.00 0.54 0.04 -1.26 -4.93 135.00 133.45 1q2i s PRO 2 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1q2i s PRO 2 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1q2i s PRO 2 CO 0.00 -0.94 0.00 1.28 0.04 0.00 0.00 177.00 177.38 1q2i n LEU 3 N 7.31 0.00 -3.51 -3.56 4.77 -1.26 -5.16 117.00 115.60 1q2i n LEU 3 Ca 0.16 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1q2i n LEU 3 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1q2i n LEU 3 CO 0.60 0.00 0.16 -0.55 -1.33 0.00 0.00 177.39 176.28 1q2i s SER 4 N 0.00 -0.91 0.00 -1.43 0.15 -1.26 -4.35 113.70 105.90 1q2i s SER 4 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1q2i s SER 4 Cb 0.00 1.99 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 1q2i s SER 4 CO 0.00 -0.24 0.00 1.67 1.20 0.00 0.00 173.24 175.87 1q2i n GLN 5 N 5.43 0.00 -2.29 5.44 0.00 -1.26 -4.83 117.38 119.87 1q2i n GLN 5 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 56.73 1q2i n GLN 5 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.76 1q2i n GLN 5 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1q2i n GLU 6 N -0.00 3.10 0.00 3.69 0.28 -1.26 -4.67 120.64 121.78 1q2i n GLU 6 Ca 0.00 -4.06 0.00 0.00 -0.16 0.00 0.00 57.16 52.94 1q2i n GLU 6 Cb 0.00 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 30.78 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1q2i n THR 7 N -0.61 0.00 0.30 3.84 -1.04 -1.26 -4.92 114.28 110.59 1q2i n THR 7 Ca 0.34 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.46 1q2i n THR 7 Cb 0.88 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.98 1q2i n THR 7 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1q2i h PHE 8 N 0.00 0.00 0.00 -1.42 -5.15 -1.92 1.60 116.94 110.05 1q2i h PHE 8 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 1q2i h PHE 8 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1q2i h PHE 8 CO 0.00 0.00 -0.42 1.03 -2.00 0.00 0.00 178.31 176.92 1q2i h SER 9 N 0.00 0.00 0.35 -0.68 0.87 -1.83 -3.07 113.55 109.19 1q2i h SER 9 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1q2i h SER 9 Cb 0.90 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1q2i h SER 9 CO 0.00 0.42 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.84 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 1.82 0.20 -3.37 116.42 121.31 1q2i h ASP 10 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1q2i h ASP 10 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1q2i h ASP 10 CO 0.06 0.11 0.00 0.00 -1.61 0.00 0.00 179.24 177.79 1q2i n LEU 11 N -3.64 0.00 0.00 2.28 -0.00 -1.16 -4.24 117.00 110.23 1q2i n LEU 11 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1q2i n LEU 11 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1q2i n LEU 11 CO 0.30 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.48 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -0.88 117.44 121.82 1q2i n TRP 12 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1q2i n TRP 12 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 1q2i n TRP 12 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1q2i n LYS 13 N 0.00 0.00 0.06 -0.99 4.81 -1.26 0.15 118.16 120.93 1q2i n LYS 13 Ca 0.00 0.29 -0.22 0.00 -0.87 0.00 0.00 58.31 57.50 1q2i n LYS 13 Cb 0.00 -1.65 -0.15 0.00 0.02 0.00 0.00 35.03 33.26 1q2i n LYS 13 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1q2i h LEU 14 N 0.00 0.54 -2.03 3.14 -0.00 -1.31 -3.28 115.31 112.38 1q2i h LEU 14 Ca 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 1q2i h LEU 14 Cb 0.29 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1q2i h LEU 14 CO 0.00 1.66 0.00 -0.07 -0.00 0.00 0.00 178.44 180.03 1q2i h LEU 15 N -0.11 0.00 -0.08 0.17 -0.00 -0.56 -3.14 115.31 111.58 1q2i h LEU 15 Ca -0.29 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.61 1q2i h LEU 15 Cb 1.92 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.54 1q2i h LEU 15 CO 0.14 0.00 -0.32 0.50 -0.00 0.00 0.00 178.44 178.77 1q2i h LYS 16 N 0.00 -0.33 -0.79 1.13 3.11 -1.59 30.66 116.57 148.76 1q2i h LYS 16 Ca 0.00 0.02 0.23 0.00 -2.81 0.00 0.00 60.65 58.09 1q2i h LYS 16 Cb 0.20 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1q2i h LYS 16 CO 0.00 -0.22 0.80 -0.22 -2.81 0.00 0.00 179.45 177.00 1q2i h LYS 17 N -0.34 0.00 0.00 1.90 1.63 -1.76 2.78 116.57 120.78 1q2i h LYS 17 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1q2i h LYS 17 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1q2i h LYS 17 CO -0.25 0.00 -0.56 -2.67 -3.45 0.00 0.00 179.45 172.51 1q2i n TRP 18 N -3.62 0.00 0.49 1.91 2.14 0.15 -4.45 117.44 114.05 1q2i n TRP 18 Ca 0.17 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.83 1q2i n TRP 18 Cb 1.07 -0.04 0.11 0.00 -0.81 0.00 0.00 31.31 31.65 1q2i n TRP 18 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1q2i n LYS 19 N -1.30 1.78 0.00 -2.67 4.81 9.12 -4.75 118.16 125.15 1q2i n LYS 19 Ca 0.01 -1.75 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 1q2i n LYS 19 Cb 0.13 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1q2i n LYS 19 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1q2i n MET 20 N 1.02 2.11 0.00 1.64 1.56 0.86 -4.41 117.12 119.91 1q2i n MET 20 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1q2i n MET 20 Cb 0.46 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.83 1q2i n MET 20 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1q2i n ARG 21 N 0.00 0.00 -1.58 2.12 0.63 -1.26 -3.92 116.66 112.65 1q2i n ARG 21 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1q2i n ARG 21 Cb 0.00 -1.26 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 1q2i n ARG 21 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1q2i n ARG 22 N -0.72 3.42 0.00 -0.14 3.00 -1.26 -3.28 116.66 117.69 1q2i n ARG 22 Ca 0.00 -2.51 0.00 0.00 -0.01 0.00 0.00 57.85 55.33 1q2i n ARG 22 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 32.46 29.47 1q2i n ARG 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1q2i n ASN 23 N 4.47 0.00 0.23 0.55 2.85 -1.25 -4.80 115.26 117.30 1q2i n ASN 23 Ca 0.65 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.12 1q2i n ASN 23 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 1q2i n ASN 23 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1q2i n GLN 24 N 0.00 0.00 0.04 1.20 7.27 -1.26 -4.91 117.38 119.72 1q2i n GLN 24 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1q2i n GLN 24 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 1q2i n GLN 24 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1q2i h PHE 25 N 0.00 0.22 -1.85 3.69 3.04 -1.99 -3.34 116.94 116.71 1q2i h PHE 25 Ca 0.00 -0.16 -0.72 0.00 3.98 0.00 0.00 57.97 61.07 1q2i h PHE 25 Cb 0.00 -0.01 -0.31 0.00 2.56 0.00 0.00 35.95 38.19 1q2i h PHE 25 CO 0.00 1.20 0.59 -2.67 -2.02 0.00 0.00 178.31 175.40 1q2i n TRP 26 N -3.32 3.10 -3.63 0.41 2.14 -1.26 -4.83 117.44 110.05 1q2i n TRP 26 Ca -0.13 -2.54 -0.39 0.00 2.07 0.00 0.00 57.50 56.51 1q2i n TRP 26 Cb 1.02 -0.90 -0.08 0.00 -0.81 0.00 0.00 31.31 30.54 1q2i n TRP 26 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 1q2i s VAL 27 N -5.19 4.18 0.00 -1.67 -7.23 -1.20 -4.34 120.40 104.94 1q2i s VAL 27 Ca 0.51 -2.91 0.00 0.00 -1.81 0.00 0.00 61.98 57.78 1q2i s VAL 27 Cb 0.43 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1q2i s VAL 27 CO -0.35 -0.92 0.00 1.17 -0.31 0.00 0.00 175.10 174.69 1q2i n LYS 28 N 3.52 0.00 -0.78 4.82 4.81 -1.26 -4.99 118.16 124.29 1q2i n LYS 28 Ca 0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.50 1q2i n LYS 28 Cb 0.40 -1.93 0.21 0.00 0.02 0.00 0.00 35.03 33.72 1q2i n LYS 28 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q2i n VAL 29 N -1.73 2.55 -3.52 3.15 0.31 -1.26 -4.99 118.33 112.85 1q2i n VAL 29 Ca 0.00 -2.59 -0.11 0.00 -0.01 0.00 0.00 64.34 61.63 1q2i n VAL 29 Cb 0.39 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.96 1q2i n VAL 29 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1q2i s GLN 30 N -3.20 0.83 0.92 5.55 0.74 -1.26 -5.12 119.66 118.12 1q2i s GLN 30 Ca 0.45 -0.10 -0.11 0.00 0.05 0.00 0.00 55.36 55.65 1q2i s GLN 30 Cb 0.40 0.39 0.14 0.00 1.10 0.00 0.00 33.01 35.04 1q2i s GLN 30 CO 0.01 -0.32 1.09 1.03 -0.55 0.00 0.00 175.29 176.56 1q2i s ARG 31 N -2.28 1.09 0.00 1.67 1.81 -1.26 -5.17 118.95 114.81 1q2i s ARG 31 Ca 0.00 0.99 0.00 0.00 -1.72 0.00 0.00 55.73 55.00 1q2i s ARG 31 Cb -0.01 -1.78 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 1q2i s ARG 31 CO -0.03 -2.41 0.00 0.41 -0.68 0.00 0.00 175.30 172.59