#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p s LYS 2 N 0.00 0.81 0.00 3.17 -0.14 -1.10 -4.98 119.74 117.50 3i1p s LYS 2 Ca 0.00 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 3i1p s LYS 2 Cb 0.00 -0.78 0.00 0.00 -1.68 0.00 0.00 37.83 35.37 3i1p s LYS 2 CO 0.00 0.21 0.00 1.33 -0.76 0.00 0.00 175.35 176.13 3i1p n VAL 3 N 2.57 0.00 0.00 3.17 0.24 -1.26 0.10 118.33 123.16 3i1p n VAL 3 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3i1p n VAL 3 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 3i1p n VAL 3 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1p n ARG 4 N 0.00 0.00 -0.06 7.34 1.74 -1.26 -4.63 116.66 119.79 3i1p n ARG 4 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3i1p n ARG 4 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3i1p n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1p h ALA 5 N 0.00 0.00 -2.18 7.54 0.00 -1.90 -3.31 119.26 119.41 3i1p h ALA 5 Ca 0.00 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 3i1p h ALA 5 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i1p h ALA 5 CO 0.00 0.31 1.19 0.45 0.00 0.00 0.00 179.25 181.20 3i1p n SER 6 N -4.54 3.80 0.00 0.00 2.88 -1.26 -4.25 113.62 110.26 3i1p n SER 6 Ca -0.04 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3i1p n SER 6 Cb 0.16 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 3i1p n SER 6 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3i1p n VAL 7 N 5.46 0.00 -0.52 2.46 3.14 -1.26 -5.01 118.33 122.59 3i1p n VAL 7 Ca 0.22 0.14 0.05 0.00 -2.96 0.00 0.00 64.34 61.79 3i1p n VAL 7 Cb 0.36 -1.04 -0.02 0.00 -1.06 0.00 0.00 33.84 32.08 3i1p n VAL 7 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3i1p n LYS 8 N -2.06 -0.83 -3.70 1.45 2.85 -1.26 -4.87 118.16 109.74 3i1p n LYS 8 Ca 0.00 0.57 -0.31 0.00 -1.05 0.00 0.00 58.31 57.52 3i1p n LYS 8 Cb 0.00 -1.13 -0.04 0.00 -0.65 0.00 0.00 35.03 33.21 3i1p n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3i1p s LYS 9 N -1.92 3.59 -0.00 -1.58 0.00 -1.26 -4.99 119.74 113.57 3i1p s LYS 9 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 55.97 55.91 3i1p s LYS 9 Cb 0.00 -2.87 -0.11 0.00 0.00 0.00 0.00 37.83 34.85 3i1p s LYS 9 CO 0.00 0.47 0.37 1.28 0.00 0.00 0.00 175.35 177.48 3i1p n LEU 10 N 0.02 0.37 -3.84 2.77 4.77 -1.26 -5.03 117.00 114.80 3i1p n LEU 10 Ca -0.03 -0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 55.46 3i1p n LEU 10 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3i1p n LEU 10 CO 0.49 0.09 0.40 0.00 -1.33 0.00 0.00 177.39 177.04 3i1p n ARG 12 N -0.43 0.00 -0.94 0.00 1.85 -1.26 -2.32 116.66 113.56 3i1p n ARG 12 Ca -0.05 0.31 0.01 0.00 -1.00 0.00 0.00 57.85 57.12 3i1p n ARG 12 Cb 0.60 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.87 3i1p n ARG 12 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3i1p n ASN 13 N -1.50 5.27 -5.00 2.89 4.05 -1.26 -4.94 115.26 114.77 3i1p n ASN 13 Ca 0.03 -3.04 -0.18 0.00 0.45 0.00 0.00 54.58 51.84 3i1p n ASN 13 Cb 0.13 -0.71 0.00 0.00 1.23 0.00 0.00 39.78 40.43 3i1p n ASN 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1p n LYS 15 N -1.74 0.00 -1.95 0.00 3.00 -0.77 -4.99 118.16 111.71 3i1p n LYS 15 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3i1p n LYS 15 Cb 0.59 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.23 3i1p n LYS 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3i1p n ILE 16 N -3.30-12.39 -3.64 3.15 5.41 -1.25 -4.92 119.36 102.41 3i1p n ILE 16 Ca 0.00 3.04 -0.14 0.00 1.00 0.00 0.00 62.75 66.65 3i1p n ILE 16 Cb 0.00 -5.29 -0.07 0.00 -0.71 0.00 0.00 39.64 33.57 3i1p n ILE 16 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3i1p s VAL 17 N -0.47 0.00 -0.29 1.39 -7.23 0.38 -4.97 120.40 109.21 3i1p s VAL 17 Ca 0.00 -0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 3i1p s VAL 17 Cb 0.00 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 3i1p s VAL 17 CO 0.00 -0.00 1.89 -0.75 -0.31 0.00 0.00 175.10 175.93 3i1p s LYS 18 N 0.32 3.32 -0.79 4.82 2.20 -1.26 -2.65 119.74 125.70 3i1p s LYS 18 Ca -0.00 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.22 3i1p s LYS 18 Cb -0.05 -4.23 0.31 0.00 -1.51 0.00 0.00 37.83 32.35 3i1p s LYS 18 CO 0.01 -1.88 1.20 -2.13 -0.36 0.00 0.00 175.35 172.20 3i1p n ARG 19 N 8.47 3.81 0.00 4.03 0.63 -1.25 -4.88 116.66 127.46 3i1p n ARG 19 Ca 0.24 -4.72 0.00 0.00 -0.92 0.00 0.00 57.85 52.46 3i1p n ARG 19 Cb 0.46 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.02 3i1p n ARG 19 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i1p n ASP 20 N 0.37 0.00 0.00 6.15 8.00 -1.26 -4.52 116.55 125.29 3i1p n ASP 20 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3i1p n ASP 20 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3i1p n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1p n GLY 21 N 0.00 0.21 3.51 0.44 0.00 -1.26 -5.03 105.19 103.04 3i1p n GLY 21 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i1p n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1p s VAL 22 N 0.00 4.34 -0.45 1.61 -7.23 -1.26 -4.97 120.40 112.44 3i1p s VAL 22 Ca 0.00 0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 3i1p s VAL 22 Cb 0.00 -4.59 -0.06 0.00 0.56 0.00 0.00 36.38 32.29 3i1p s VAL 22 CO 0.00 -1.24 2.25 -0.63 -0.31 0.00 0.00 175.10 175.18 3i1p s ILE 23 N 4.06 3.09 0.26 -0.62 1.01 -1.26 -3.89 121.20 123.84 3i1p s ILE 23 Ca 0.28 0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.05 3i1p s ILE 23 Cb -0.13 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3i1p s ILE 23 CO 0.17 -0.17 0.37 -0.13 0.00 0.00 0.00 174.94 175.17 3i1p s ARG 24 N 7.57 3.34 -0.09 2.79 0.52 -1.08 -3.89 118.95 128.11 3i1p s ARG 24 Ca 0.92 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 3i1p s ARG 24 Cb -0.20 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.43 3i1p s ARG 24 CO 0.27 0.36 -0.18 0.08 0.02 0.00 0.00 175.30 175.85 3i1p s VAL 25 N -2.03 1.62 -0.14 3.52 1.01 -0.04 -0.47 120.40 123.87 3i1p s VAL 25 Ca 0.36 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3i1p s VAL 25 Cb -0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3i1p s VAL 25 CO 0.29 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 175.12 3i1p s ILE 26 N 0.64 3.23 -0.09 2.22 -1.09 -1.26 -2.74 121.20 122.12 3i1p s ILE 26 Ca -0.14 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3i1p s ILE 26 Cb -0.16 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 3i1p s ILE 26 CO 0.04 0.51 -0.19 0.00 -1.23 0.00 0.00 174.94 174.07 3i1p n SER 28 N 3.13 0.83 -0.01 0.00 3.41 -1.20 -4.55 113.62 115.22 3i1p n SER 28 Ca -0.18 -0.77 -0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3i1p n SER 28 Cb 0.52 0.99 -0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3i1p n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1p h ALA 29 N 2.88 0.00 -3.32 7.33 0.00 -1.95 -3.48 119.26 120.73 3i1p h ALA 29 Ca 0.00 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 3i1p h ALA 29 Cb 0.56 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 3i1p h ALA 29 CO 0.00 0.05 -0.69 -1.21 0.00 0.00 0.00 179.25 177.40 3i1p s GLU 30 N -1.20 2.34 0.38 0.00 0.41 -1.26 -5.02 118.70 114.35 3i1p s GLU 30 Ca -0.01 -0.98 0.20 0.00 -0.41 0.00 0.00 54.97 53.77 3i1p s GLU 30 Cb 0.00 -2.40 0.44 0.00 -1.78 0.00 0.00 34.13 30.39 3i1p s GLU 30 CO 0.02 0.51 1.62 -1.35 -0.49 0.00 0.00 175.26 175.57 3i1p h PRO 31 N 3.32 0.00 -0.51 0.39 0.11 -1.93 -3.32 132.00 130.06 3i1p h PRO 31 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 3i1p h PRO 31 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3i1p h PRO 31 CO 0.56 0.28 0.25 0.87 -0.21 0.00 0.00 178.00 179.75 3i1p h LYS 32 N 0.00 0.48 0.00 1.05 1.57 -1.95 -2.94 116.57 114.79 3i1p h LYS 32 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i1p h LYS 32 Cb 1.07 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3i1p h LYS 32 CO 0.04 0.32 0.00 0.45 -0.57 0.00 0.00 179.45 179.68 3i1p h HIS 33 N 0.50 0.00 -3.15 -1.35 3.86 -1.95 -3.44 115.15 109.62 3i1p h HIS 33 Ca 0.22 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.91 3i1p h HIS 33 Cb 0.14 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.66 3i1p h HIS 33 CO -0.10 0.00 0.81 0.21 0.86 0.00 0.00 177.93 179.71 3i1p s LYS 34 N -3.56 4.24 -0.00 2.45 2.20 -1.11 -4.76 119.74 119.20 3i1p s LYS 34 Ca -0.01 2.33 -0.20 0.00 -0.36 0.00 0.00 55.97 57.74 3i1p s LYS 34 Cb 0.08 -3.13 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 3i1p s LYS 34 CO 0.27 -0.50 0.43 1.14 -0.36 0.00 0.00 175.35 176.32 3i1p s GLN 35 N 0.25 0.84 0.32 4.03 -2.07 -1.11 -2.72 119.66 119.21 3i1p s GLN 35 Ca 0.64 -0.15 0.04 0.00 -1.82 0.00 0.00 55.36 54.07 3i1p s GLN 35 Cb -0.43 0.38 -0.06 0.00 -1.09 0.00 0.00 33.01 31.81 3i1p s GLN 35 CO 0.38 -0.26 0.04 0.50 -1.32 0.00 0.00 175.29 174.63 3i1p s ARG 36 N -1.68 1.65 0.49 9.60 3.52 0.28 -0.86 118.95 131.95 3i1p s ARG 36 Ca -0.10 -1.91 0.00 0.00 -0.13 0.00 0.00 55.73 53.59 3i1p s ARG 36 Cb -0.03 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 3i1p s ARG 36 CO 0.03 -0.15 0.00 0.94 -0.81 0.00 0.00 175.30 175.31 3i1p n GLN 37 N -0.68 -3.44 0.00 5.12 7.27 -1.25 -4.02 117.38 120.38 3i1p n GLN 37 Ca -0.03 2.67 0.00 0.00 0.07 0.00 0.00 57.00 59.71 3i1p n GLN 37 Cb 0.66 -3.32 0.00 0.00 2.41 0.00 0.00 30.24 29.99 3i1p n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54