#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2i n PRO 2 N 0.00 -0.59 -3.98 0.54 -0.04 -1.26 -5.05 135.00 124.62 1q2i n PRO 2 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1q2i n PRO 2 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 1q2i n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q2i s LEU 3 N 0.00 3.15 -0.02 1.53 1.02 -1.26 -4.95 118.68 118.14 1q2i s LEU 3 Ca 0.00 -1.41 -0.02 0.00 0.02 0.00 0.00 54.13 52.71 1q2i s LEU 3 Cb 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.87 1q2i s LEU 3 CO 0.00 -0.25 0.05 -0.24 0.02 0.00 0.00 176.35 175.92 1q2i n SER 4 N 4.54 -6.88 0.00 2.29 2.88 -1.26 -5.02 113.62 110.17 1q2i n SER 4 Ca -0.10 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1q2i n SER 4 Cb 0.43 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 1q2i n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q2i n GLN 5 N 1.56 0.00 -2.06 -1.46 1.13 -1.26 -4.84 117.38 110.45 1q2i n GLN 5 Ca -0.08 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.71 1q2i n GLN 5 Cb 0.12 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.49 1q2i n GLN 5 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1q2i n GLU 6 N 0.00 3.38 0.00 -1.09 1.02 -1.26 -4.54 120.64 118.15 1q2i n GLU 6 Ca 0.00 -4.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.03 1q2i n GLU 6 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1q2i n THR 7 N -0.66 0.00 0.29 2.62 -1.04 -1.26 -4.92 114.28 109.32 1q2i n THR 7 Ca 0.46 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.57 1q2i n THR 7 Cb 0.79 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.86 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 -1.96 1.56 116.94 109.98 1q2i h PHE 8 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 1q2i h PHE 8 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 1q2i h PHE 8 CO 0.00 0.00 -0.50 1.03 -2.00 0.00 0.00 178.31 176.84 1q2i h SER 9 N 0.00 0.00 0.30 -0.68 0.87 -1.88 -3.06 113.55 109.10 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 0.89 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1q2i h SER 9 CO 0.00 0.50 -0.09 -0.78 -0.53 0.00 0.00 176.83 175.93 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 3.58 0.20 -3.37 116.42 123.06 1q2i h ASP 10 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1q2i h ASP 10 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1q2i h ASP 10 CO 0.07 0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.52 1q2i n LEU 11 N -3.66 0.00 0.00 2.28 -0.00 -1.15 -4.28 117.00 110.19 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1q2i n LEU 11 CO 0.29 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.47 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -1.40 117.44 121.29 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 -0.05 -0.99 4.81 -1.26 0.12 118.16 120.80 1q2i n LYS 13 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1q2i n LYS 13 Cb 0.00 -1.32 -0.13 0.00 0.02 0.00 0.00 35.03 33.60 1q2i n LYS 13 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1q2i n LEU 14 N -0.70 0.00 -0.13 3.14 -0.00 -0.50 -4.36 117.00 114.45 1q2i n LEU 14 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 1q2i n LEU 14 Cb 0.00 0.22 0.02 0.00 -0.00 0.00 0.00 43.42 43.66 1q2i n LEU 14 CO 0.00 0.22 0.19 0.00 -0.00 0.00 0.00 177.39 177.80 1q2i n LEU 15 N -2.36 1.14 -0.28 1.47 -0.00 0.33 -4.53 117.00 112.76 1q2i n LEU 15 Ca -0.16 -0.44 -0.07 0.00 -0.00 0.00 0.00 56.01 55.34 1q2i n LEU 15 Cb 0.76 -0.06 -0.07 0.00 -0.00 0.00 0.00 43.42 44.05 1q2i n LEU 15 CO 0.34 0.25 0.34 0.29 -0.00 0.00 0.00 177.39 178.60 1q2i n LYS 16 N -1.09 -0.29 -0.46 1.47 4.01 -0.70 0.39 118.16 121.48 1q2i n LYS 16 Ca 0.06 1.04 0.38 0.00 -0.51 0.00 0.00 58.31 59.28 1q2i n LYS 16 Cb 0.36 -1.53 0.67 0.00 -0.51 0.00 0.00 35.03 34.02 1q2i n LYS 16 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1q2i h LYS 17 N 0.00 0.10 0.00 1.97 1.63 -1.90 2.00 116.57 120.37 1q2i h LYS 17 Ca 0.11 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1q2i h LYS 17 Cb 0.27 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1q2i h LYS 17 CO -0.63 0.06 -1.31 -2.67 -3.45 0.00 0.00 179.45 171.45 1q2i n TRP 18 N -4.49 0.00 1.24 1.91 2.14 1.25 -4.20 117.44 115.30 1q2i n TRP 18 Ca 0.35 0.00 0.13 0.00 2.07 0.00 0.00 57.50 60.05 1q2i n TRP 18 Cb 1.43 -0.20 0.31 0.00 -0.81 0.00 0.00 31.31 32.04 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 -1.76 1.58 -1.12 -2.67 4.81 1.21 -4.94 118.16 115.27 1q2i n LYS 19 Ca 0.00 -1.11 -0.30 0.00 -0.87 0.00 0.00 58.31 56.03 1q2i n LYS 19 Cb 0.37 -1.48 0.13 0.00 0.02 0.00 0.00 35.03 34.08 1q2i n LYS 19 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1q2i s MET 20 N -2.18 1.38 -0.27 1.64 -1.94 0.57 -2.84 119.30 115.66 1q2i s MET 20 Ca 0.30 1.01 0.00 0.00 -1.71 0.00 0.00 55.69 55.29 1q2i s MET 20 Cb 0.20 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.23 1q2i s MET 20 CO 0.40 -2.21 0.00 -2.13 -0.01 0.00 0.00 175.02 171.08 1q2i n ARG 21 N -3.89 -1.81 -2.32 2.03 0.63 -1.26 -4.85 116.66 105.19 1q2i n ARG 21 Ca 0.08 0.56 -0.42 0.00 -0.92 0.00 0.00 57.85 57.15 1q2i n ARG 21 Cb 0.54 -4.96 0.00 0.00 0.45 0.00 0.00 32.46 28.50 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 0.34 4.24 0.00 -0.14 5.12 -1.13 -3.85 116.66 121.23 1q2i n ARG 22 Ca -0.03 -3.73 0.00 0.00 -1.93 0.00 0.00 57.85 52.16 1q2i n ARG 22 Cb 0.49 -2.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.06 1q2i n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1q2i n ASN 23 N 2.43 0.00 0.06 0.55 2.85 -1.26 -5.05 115.26 114.83 1q2i n ASN 23 Ca 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 1q2i n ASN 23 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 0.08 1.20 7.27 -1.26 -4.91 117.38 119.76 1q2i n GLN 24 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 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 0.40 -1.81 3.69 3.04 -1.99 -3.32 116.94 116.95 1q2i h PHE 25 Ca 0.00 -0.29 -0.74 0.00 3.98 0.00 0.00 57.97 60.91 1q2i h PHE 25 Cb 0.00 -0.02 -0.28 0.00 2.56 0.00 0.00 35.95 38.21 1q2i h PHE 25 CO 0.00 1.26 0.91 -2.67 -2.02 0.00 0.00 178.31 175.79 1q2i n TRP 26 N -3.47 3.04 -3.55 0.41 2.14 -1.26 -4.88 117.44 109.88 1q2i n TRP 26 Ca -0.10 -2.47 -0.41 0.00 2.07 0.00 0.00 57.50 56.59 1q2i n TRP 26 Cb 1.02 -1.15 -0.07 0.00 -0.81 0.00 0.00 31.31 30.31 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 -5.07 4.49 0.00 -1.67 -7.23 -1.25 -4.44 120.40 105.23 1q2i s VAL 27 Ca 0.54 -2.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1q2i s VAL 27 Cb 0.45 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1q2i s VAL 27 CO -0.34 -0.92 0.00 1.17 -0.31 0.00 0.00 175.10 174.70 1q2i n LYS 28 N 3.89 0.00 -0.75 4.82 4.81 -1.26 -4.98 118.16 124.70 1q2i n LYS 28 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1q2i n LYS 28 Cb 0.42 -0.92 0.14 0.00 0.02 0.00 0.00 35.03 34.68 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 -0.47 2.30 -2.43 3.15 0.31 -1.26 -5.03 118.33 114.90 1q2i n VAL 29 Ca 0.00 -1.16 0.08 0.00 -0.01 0.00 0.00 64.34 63.25 1q2i n VAL 29 Cb 0.21 -0.62 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 1q2i n VAL 29 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1q2i n GLN 30 N -0.39 -1.25 -3.09 5.55 7.27 -1.26 -4.94 117.38 119.26 1q2i n GLN 30 Ca 0.35 0.82 -0.17 0.00 0.07 0.00 0.00 57.00 58.07 1q2i n GLN 30 Cb 1.19 -1.52 0.02 0.00 2.41 0.00 0.00 30.24 32.33 1q2i n GLN 30 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1q2i n ARG 31 N -2.60 -2.15 0.00 3.69 5.12 -1.26 -5.18 116.66 114.28 1q2i n ARG 31 Ca 0.00 1.83 0.00 0.00 -1.93 0.00 0.00 57.85 57.76 1q2i n ARG 31 Cb 0.28 -4.51 0.00 0.00 -1.16 0.00 0.00 32.46 27.07 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11