#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r s LYS 2 N 0.00 4.51 -0.27 3.17 1.02 -1.01 -4.89 119.74 122.28 3i1r s LYS 2 Ca 0.00 1.41 -0.15 0.00 0.02 0.00 0.00 55.97 57.25 3i1r s LYS 2 Cb 0.00 -2.80 -0.12 0.00 -0.52 0.00 0.00 37.83 34.40 3i1r s LYS 2 CO 0.00 0.20 -0.34 1.33 -0.92 0.00 0.00 175.35 175.62 3i1r n VAL 3 N 0.51 1.53 -0.07 3.17 0.24 -1.26 -1.27 118.33 121.18 3i1r n VAL 3 Ca 0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3i1r n VAL 3 Cb 0.49 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 3i1r n VAL 3 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i1r n ARG 4 N -4.28 0.00 -0.05 7.34 1.85 -1.26 -3.93 116.66 116.33 3i1r n ARG 4 Ca -0.50 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.21 3i1r n ARG 4 Cb 0.84 -0.07 -0.14 0.00 -1.05 0.00 0.00 32.46 32.04 3i1r n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1r n ALA 5 N -0.28 1.32 -2.66 2.89 0.00 -1.26 -4.52 120.51 116.00 3i1r n ALA 5 Ca 0.00 -0.89 -0.37 0.00 0.00 0.00 0.00 53.44 52.18 3i1r n ALA 5 Cb 0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3i1r n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i1r s SER 6 N -6.28 6.60 -0.01 0.00 1.04 -1.26 -4.62 113.70 109.16 3i1r s SER 6 Ca -0.15 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 3i1r s SER 6 Cb 0.07 -2.20 -0.00 0.00 0.10 0.00 0.00 66.02 63.99 3i1r s SER 6 CO 0.78 0.22 -0.02 1.33 0.98 0.00 0.00 173.24 176.53 3i1r n VAL 7 N 2.68 0.13 -1.32 5.02 0.24 -1.26 -5.02 118.33 118.79 3i1r n VAL 7 Ca -0.13 0.32 0.04 0.00 -2.04 0.00 0.00 64.34 62.53 3i1r n VAL 7 Cb 0.52 -1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 31.47 3i1r n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1r n LYS 8 N -2.65 -3.35 -2.93 7.34 5.02 -1.26 -4.95 118.16 115.39 3i1r n LYS 8 Ca -0.01 2.64 -0.27 0.00 -2.02 0.00 0.00 58.31 58.65 3i1r n LYS 8 Cb 0.03 -3.42 -0.01 0.00 -0.02 0.00 0.00 35.03 31.61 3i1r n LYS 8 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1r s LYS 9 N -4.90 3.56 0.00 1.97 3.01 -1.26 -4.97 119.74 117.15 3i1r s LYS 9 Ca 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 55.97 55.03 3i1r s LYS 9 Cb 0.00 -2.48 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 3i1r s LYS 9 CO 0.00 -0.05 0.00 1.28 0.51 0.00 0.00 175.35 177.09 3i1r n LEU 10 N -1.88 0.41 -4.88 3.17 4.77 -1.26 -5.08 117.00 112.24 3i1r n LEU 10 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 3i1r n LEU 10 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3i1r n LEU 10 CO 0.51 0.07 0.03 0.00 -1.33 0.00 0.00 177.39 176.66 3i1r n ARG 12 N -1.67 0.29 -0.00 0.00 1.85 -1.26 -2.84 116.66 113.03 3i1r n ARG 12 Ca 0.01 0.11 0.09 0.00 -1.00 0.00 0.00 57.85 57.05 3i1r n ARG 12 Cb 0.64 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.43 3i1r n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i1r n ASN 13 N -1.24 0.86 -4.54 2.89 3.02 -1.26 -4.98 115.26 110.01 3i1r n ASN 13 Ca 0.09 -0.50 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 3i1r n ASN 13 Cb 0.12 1.36 0.02 0.00 -0.61 0.00 0.00 39.78 40.68 3i1r n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1r n LYS 15 N -0.01 3.23 -2.36 0.00 5.02 0.70 -4.94 118.16 119.80 3i1r n LYS 15 Ca 0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 3i1r n LYS 15 Cb 0.43 -0.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.91 3i1r n LYS 15 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1r n ILE 16 N -0.60-10.50 -3.74 -0.18 2.08 -1.25 -4.88 119.36 100.29 3i1r n ILE 16 Ca 0.00 2.44 -0.12 0.00 0.56 0.00 0.00 62.75 65.62 3i1r n ILE 16 Cb 0.00 -5.20 -0.13 0.00 -0.75 0.00 0.00 39.64 33.56 3i1r n ILE 16 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3i1r s VAL 17 N -0.48 -0.03 -0.37 1.39 1.01 -0.59 -4.94 120.40 116.38 3i1r s VAL 17 Ca -0.04 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 3i1r s VAL 17 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3i1r s VAL 17 CO 0.11 0.05 0.41 -0.75 0.00 0.00 0.00 175.10 174.92 3i1r s LYS 18 N 1.08 3.39 -0.02 2.72 2.20 -1.26 -0.09 119.74 127.75 3i1r s LYS 18 Ca -0.08 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 3i1r s LYS 18 Cb -0.09 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 3i1r s LYS 18 CO -0.07 -0.67 -0.19 1.03 -0.36 0.00 0.00 175.35 175.09 3i1r s ARG 19 N 2.11 2.25 4.25 4.03 0.52 -1.12 -4.88 118.95 126.12 3i1r s ARG 19 Ca 0.13 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3i1r s ARG 19 Cb -0.17 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.09 3i1r s ARG 19 CO 0.13 0.58 0.00 -0.25 0.02 0.00 0.00 175.30 175.78 3i1r n ASP 20 N 2.14 0.00 -1.18 0.23 10.43 -1.26 -0.98 116.55 125.93 3i1r n ASP 20 Ca -0.17 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.14 3i1r n ASP 20 Cb 0.52 0.00 0.18 0.00 1.84 0.00 0.00 41.12 43.66 3i1r n ASP 20 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i1r n GLY 21 N 0.00 5.18 2.81 0.44 0.00 -1.26 -5.02 105.19 107.34 3i1r n GLY 21 Ca 0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3i1r n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 22 N -3.47 0.46 0.15 1.61 1.01 -0.15 -5.07 120.40 114.94 3i1r s VAL 22 Ca 0.45 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 3i1r s VAL 22 Cb 0.40 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 3i1r s VAL 22 CO -0.02 0.26 1.52 -0.63 0.00 0.00 0.00 175.10 176.23 3i1r s ILE 23 N 1.69 2.80 0.20 2.22 1.01 -1.26 -2.81 121.20 125.05 3i1r s ILE 23 Ca 0.01 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.28 3i1r s ILE 23 Cb -0.13 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3i1r s ILE 23 CO -0.04 0.05 -0.04 -0.13 0.00 0.00 0.00 174.94 174.77 3i1r s ARG 24 N 1.09 1.24 -0.12 2.79 0.52 0.87 -2.31 118.95 123.03 3i1r s ARG 24 Ca 0.68 -1.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 3i1r s ARG 24 Cb -0.42 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.43 3i1r s ARG 24 CO 0.31 -0.02 -0.13 0.08 0.02 0.00 0.00 175.30 175.56 3i1r s VAL 25 N -3.37 1.38 -0.13 3.52 1.01 0.77 -1.54 120.40 122.05 3i1r s VAL 25 Ca 0.24 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3i1r s VAL 25 Cb 0.04 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3i1r s VAL 25 CO 0.06 0.42 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 3i1r s ILE 26 N 1.24 2.80 -0.08 2.22 -1.09 -1.26 -1.87 121.20 123.15 3i1r s ILE 26 Ca -0.02 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 3i1r s ILE 26 Cb -0.14 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 3i1r s ILE 26 CO -0.05 0.53 -0.17 0.00 -1.23 0.00 0.00 174.94 174.02 3i1r n SER 28 N 2.95 0.12 -0.00 0.00 3.41 -1.26 -4.28 113.62 114.55 3i1r n SER 28 Ca -0.18 -0.24 -0.01 0.00 -0.26 0.00 0.00 58.87 58.18 3i1r n SER 28 Cb 0.52 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3i1r n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1r n ALA 29 N -1.21 1.98 -3.73 7.33 0.00 -1.26 -4.96 120.51 118.65 3i1r n ALA 29 Ca 0.14 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 3i1r n ALA 29 Cb 0.25 0.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 3i1r n ALA 29 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i1r s GLU 30 N -2.02 0.72 0.26 0.00 2.56 -1.26 -5.01 118.70 113.95 3i1r s GLU 30 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 54.97 54.13 3i1r s GLU 30 Cb 0.00 -2.01 0.53 0.00 2.00 0.00 0.00 34.13 34.65 3i1r s GLU 30 CO 0.02 -0.85 1.75 -1.35 -0.56 0.00 0.00 175.26 174.27 3i1r h PRO 31 N 8.15 0.55 0.00 4.30 0.11 -1.93 -1.19 132.00 141.99 3i1r h PRO 31 Ca -0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3i1r h PRO 31 Cb 1.05 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3i1r h PRO 31 CO 0.42 0.36 0.29 1.63 -0.21 0.00 0.00 178.00 180.49 3i1r n LYS 32 N -4.91 0.09 0.06 1.05 5.02 -1.26 -1.70 118.16 116.51 3i1r n LYS 32 Ca 0.17 0.56 0.12 0.00 -2.02 0.00 0.00 58.31 57.13 3i1r n LYS 32 Cb 0.44 -2.07 0.15 0.00 -0.02 0.00 0.00 35.03 33.53 3i1r n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1r h HIS 33 N 0.00 0.00 -2.50 2.13 3.86 -1.60 -3.45 115.15 113.60 3i1r h HIS 33 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3i1r h HIS 33 Cb 0.58 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.08 3i1r h HIS 33 CO 0.00 0.00 1.14 0.21 0.86 0.00 0.00 177.93 180.14 3i1r s LYS 34 N -3.19 4.13 0.13 2.45 2.20 -0.69 -4.76 119.74 120.01 3i1r s LYS 34 Ca 0.05 2.62 0.03 0.00 -0.36 0.00 0.00 55.97 58.32 3i1r s LYS 34 Cb 0.13 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3i1r s LYS 34 CO 0.73 -0.87 -0.09 -0.65 -0.36 0.00 0.00 175.35 174.12 3i1r s GLN 35 N 2.99 0.96 0.00 4.03 -0.21 -0.78 -2.39 119.66 124.25 3i1r s GLN 35 Ca 0.82 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.82 3i1r s GLN 35 Cb -0.46 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 33.08 3i1r s GLN 35 CO 0.37 0.04 0.00 -2.13 -2.12 0.00 0.00 175.29 171.46 3i1r n ARG 36 N -0.09 1.26 -4.01 2.91 0.63 -0.40 -0.16 116.66 116.81 3i1r n ARG 36 Ca -0.11 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.38 3i1r n ARG 36 Cb 0.60 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.54 3i1r n ARG 36 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3i1r n GLN 37 N 0.00 -0.44 0.00 -0.14 7.27 -1.21 -4.53 117.38 118.33 3i1r n GLN 37 Ca 0.00 0.17 0.14 0.00 0.07 0.00 0.00 57.00 57.37 3i1r n GLN 37 Cb 0.00 -2.71 0.82 0.00 2.41 0.00 0.00 30.24 30.75 3i1r n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54