#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n ILE 4 N 0.00 0.00 -1.74 -0.61 -6.64 -1.26 -4.80 119.36 104.31 2i2t n ILE 4 Ca 0.00 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 60.80 2i2t n ILE 4 Cb 0.00 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.13 2i2t n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 2i2t s ARG 5 N 0.00 1.82 0.69 6.28 1.81 -1.26 -4.66 118.95 123.63 2i2t s ARG 5 Ca 0.00 -0.05 -0.17 0.00 -1.72 0.00 0.00 55.73 53.80 2i2t s ARG 5 Cb 0.00 -4.94 -0.00 0.00 -0.45 0.00 0.00 34.95 29.56 2i2t s ARG 5 CO 0.00 -4.38 1.04 0.39 -0.68 0.00 0.00 175.30 171.66 2i2t n GLU 6 N 8.64 0.67 -2.28 3.54 1.02 -1.15 -4.65 120.64 126.44 2i2t n GLU 6 Ca 0.44 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.55 2i2t n GLU 6 Cb 0.45 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 2i2t n GLU 6 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2i2t s LYS 7 N -3.28 3.75 -0.01 3.49 1.02 -1.26 -1.62 119.74 121.82 2i2t s LYS 7 Ca 0.76 0.73 -0.09 0.00 0.02 0.00 0.00 55.97 57.38 2i2t s LYS 7 Cb -0.36 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2i2t s LYS 7 CO 0.48 -0.35 0.19 0.42 -0.92 0.00 0.00 175.35 175.17 2i2t s ILE 8 N -2.82 0.07 -0.08 2.17 -1.09 0.75 -4.81 121.20 115.38 2i2t s ILE 8 Ca 0.55 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 2i2t s ILE 8 Cb -0.10 -0.46 -0.01 0.00 -1.58 0.00 0.00 42.46 40.31 2i2t s ILE 8 CO 0.42 -0.30 -0.24 -1.59 -1.23 0.00 0.00 174.94 172.00 2i2t s LYS 9 N -1.16 2.82 -0.42 2.79 0.00 -1.26 -0.27 119.74 122.23 2i2t s LYS 9 Ca -0.12 -0.88 -0.12 0.00 0.00 0.00 0.00 55.97 54.85 2i2t s LYS 9 Cb -0.06 -2.26 0.06 0.00 0.00 0.00 0.00 37.83 35.57 2i2t s LYS 9 CO 0.02 0.29 0.29 -0.51 0.00 0.00 0.00 175.35 175.44 2i2t s LEU 10 N 0.08 5.20 0.32 2.77 1.02 0.22 -4.50 118.68 123.79 2i2t s LEU 10 Ca -0.11 -1.31 -0.17 0.00 0.02 0.00 0.00 54.13 52.57 2i2t s LEU 10 Cb -0.16 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 43.90 2i2t s LEU 10 CO 0.06 -0.53 0.76 -0.69 0.02 0.00 0.00 176.35 175.97 2i2t s VAL 11 N 1.53 4.62 0.24 -1.59 1.01 -1.06 0.12 120.40 125.27 2i2t s VAL 11 Ca 0.03 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2i2t s VAL 11 Cb -0.22 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2i2t s VAL 11 CO 0.05 -0.13 1.19 -0.55 0.00 0.00 0.00 175.10 175.66 2i2t s SER 12 N -2.15 7.08 0.36 3.32 0.15 -1.09 -2.20 113.70 119.16 2i2t s SER 12 Ca 0.53 2.33 0.05 0.00 0.70 0.00 0.00 55.95 59.56 2i2t s SER 12 Cb -0.11 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.26 2i2t s SER 12 CO 0.18 -0.34 1.94 0.77 1.20 0.00 0.00 173.24 176.99 2i2t h SER 13 N 4.52 0.49 -4.16 5.45 4.64 -1.46 -3.43 113.55 119.61 2i2t h SER 13 Ca -0.46 -0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.28 2i2t h SER 13 Cb 1.21 -0.13 0.12 0.00 -0.31 0.00 0.00 62.40 63.30 2i2t h SER 13 CO 0.71 0.49 0.41 0.00 -0.87 0.00 0.00 176.83 177.57 2i2t s ALA 14 N -5.16 2.36 0.61 5.18 0.00 -1.26 -4.86 121.76 118.62 2i2t s ALA 14 Ca -0.08 0.80 0.28 0.00 0.00 0.00 0.00 51.96 52.96 2i2t s ALA 14 Cb 0.16 -3.41 1.36 0.00 0.00 0.00 0.00 23.12 21.23 2i2t s ALA 14 CO 0.75 -1.45 1.78 0.78 0.00 0.00 0.00 175.76 177.62 2i2t h GLY 15 N 0.17 0.00 -3.07 0.00 0.00 -2.02 -3.43 103.07 94.72 2i2t h GLY 15 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.27 2i2t h GLY 15 CO 0.53 0.00 -0.54 -0.37 0.00 0.00 0.00 176.54 176.16 2i2t n THR 16 N -3.46 1.76 0.99 4.70 5.66 -1.26 -4.92 114.28 117.76 2i2t n THR 16 Ca 0.09 -0.47 0.12 0.00 -3.05 0.00 0.00 64.05 60.74 2i2t n THR 16 Cb 0.77 -0.59 0.23 0.00 -1.55 0.00 0.00 70.33 69.18 2i2t n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2i2t n GLY 17 N 1.89 -1.24 3.66 1.09 0.00 -1.26 -4.58 105.19 104.75 2i2t n GLY 17 Ca 0.10 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2i2t n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2i2t n HIS 18 N -1.51 1.52 -3.94 1.61 -0.00 -1.26 -4.84 115.22 106.80 2i2t n HIS 18 Ca 0.05 0.49 -0.09 0.00 -0.00 0.00 0.00 57.72 58.17 2i2t n HIS 18 Cb 0.34 -2.27 -0.07 0.00 -0.00 0.00 0.00 29.99 27.98 2i2t n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2i2t s PHE 19 N -1.31 0.35 0.31 1.57 -0.71 -1.26 -2.68 117.98 114.24 2i2t s PHE 19 Ca 0.67 -0.75 0.08 0.00 -1.04 0.00 0.00 56.93 55.90 2i2t s PHE 19 Cb -0.49 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 2i2t s PHE 19 CO 0.54 -0.62 0.12 0.71 -1.34 0.00 0.00 175.22 174.62 2i2t s TYR 20 N -3.93 2.75 -0.02 3.49 2.02 0.32 -4.92 117.35 117.06 2i2t s TYR 20 Ca 0.13 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2i2t s TYR 20 Cb 0.04 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2i2t s TYR 20 CO -0.05 0.42 -0.05 -0.08 -1.57 0.00 0.00 175.55 174.22 2i2t s THR 21 N -2.37 0.50 0.14 -0.71 -1.32 -1.26 0.72 115.64 111.34 2i2t s THR 21 Ca 0.36 -0.21 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 2i2t s THR 21 Cb -0.04 -0.46 0.05 0.00 -1.51 0.00 0.00 72.50 70.53 2i2t s THR 21 CO 0.22 0.17 0.64 1.07 -2.21 0.00 0.00 174.62 174.51 2i2t n THR 22 N 3.35 0.00 -4.74 5.08 5.66 0.63 -4.98 114.28 119.29 2i2t n THR 22 Ca -0.18 -0.40 -0.33 0.00 -3.05 0.00 0.00 64.05 60.10 2i2t n THR 22 Cb 0.55 0.51 -0.07 0.00 -1.55 0.00 0.00 70.33 69.77 2i2t n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2i2t s THR 23 N -2.27 0.90 -0.24 1.09 -4.23 -1.26 0.27 115.64 109.89 2i2t s THR 23 Ca 0.14 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.36 2i2t s THR 23 Cb -0.02 -2.05 0.17 0.00 1.34 0.00 0.00 72.50 71.94 2i2t s THR 23 CO 0.04 0.00 1.23 -0.75 -0.54 0.00 0.00 174.62 174.60 2i2t s LYS 24 N -3.85 0.25 -0.88 3.99 2.36 -0.64 -4.81 119.74 116.15 2i2t s LYS 24 Ca 0.04 0.07 -0.25 0.00 -2.55 0.00 0.00 55.97 53.28 2i2t s LYS 24 Cb 0.00 0.12 0.03 0.00 -1.05 0.00 0.00 37.83 36.93 2i2t s LYS 24 CO 0.03 -0.08 1.45 1.21 1.55 0.00 0.00 175.35 179.52 2i2t s ASN 25 N -1.00 6.19 0.41 1.43 3.84 -1.26 -2.91 114.94 121.64 2i2t s ASN 25 Ca 0.05 -0.90 0.21 0.00 0.21 0.00 0.00 52.86 52.43 2i2t s ASN 25 Cb -0.01 -2.56 1.17 0.00 -0.55 0.00 0.00 41.25 39.30 2i2t s ASN 25 CO -0.05 -1.78 1.74 0.50 -2.79 0.00 0.00 177.10 174.71 2i2t h LYS 26 N 10.32 0.31 0.00 0.43 1.63 -1.83 -3.07 116.57 124.37 2i2t h LYS 26 Ca -0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2i2t h LYS 26 Cb 1.03 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2i2t h LYS 26 CO 1.34 0.21 0.00 0.54 -3.45 0.00 0.00 179.45 178.09 2i2t n ARG 27 N -4.65 0.00 -0.18 1.90 1.74 -1.26 -4.28 116.66 109.92 2i2t n ARG 27 Ca 0.28 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.31 2i2t n ARG 27 Cb 1.00 -0.47 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 2i2t n ARG 27 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2i2t n THR 28 N -0.20 -0.30 -3.28 0.55 -2.24 -1.23 -3.58 114.28 104.00 2i2t n THR 28 Ca 0.00 1.28 -0.45 0.00 -2.27 0.00 0.00 64.05 62.61 2i2t n THR 28 Cb 0.00 -1.60 -0.06 0.00 -2.10 0.00 0.00 70.33 66.57 2i2t n THR 28 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2i2t s LYS 29 N -4.71 3.01 0.04 -0.78 -0.14 -1.16 -4.96 119.74 111.04 2i2t s LYS 29 Ca -0.05 -1.40 -0.28 0.00 -1.36 0.00 0.00 55.97 52.87 2i2t s LYS 29 Cb 0.05 -4.21 -0.17 0.00 -1.68 0.00 0.00 37.83 31.82 2i2t s LYS 29 CO 0.27 -1.24 1.42 -1.35 -0.76 0.00 0.00 175.35 173.69 2i2t h PRO 30 N 8.90 -0.64 -6.53 -1.68 0.11 -1.74 -3.42 132.00 127.00 2i2t h PRO 30 Ca -0.29 0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.28 2i2t h PRO 30 Cb 1.10 0.15 0.17 0.00 0.11 0.00 0.00 31.00 32.52 2i2t h PRO 30 CO 0.98 -0.36 -0.33 -0.85 -0.21 0.00 0.00 178.00 177.23 2i2t n GLU 31 N -5.31 0.57 -3.20 1.05 0.00 -1.26 -4.94 120.64 107.55 2i2t n GLU 31 Ca -0.11 0.22 -0.38 0.00 0.00 0.00 0.00 57.16 56.88 2i2t n GLU 31 Cb 0.31 -1.74 -0.06 0.00 0.00 0.00 0.00 31.44 29.95 2i2t n GLU 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2i2t s LYS 32 N -2.11 4.27 0.15 3.44 -2.85 -1.26 -4.90 119.74 116.48 2i2t s LYS 32 Ca 0.69 0.83 -0.31 0.00 -1.00 0.00 0.00 55.97 56.18 2i2t s LYS 32 Cb -0.45 -3.18 -0.08 0.00 -2.06 0.00 0.00 37.83 32.05 2i2t s LYS 32 CO 0.54 0.59 1.31 -1.17 0.10 0.00 0.00 175.35 176.72 2i2t s LEU 33 N -1.27 4.40 -0.03 2.77 2.96 -1.23 -4.78 118.68 121.48 2i2t s LEU 33 Ca 0.33 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.56 2i2t s LEU 33 Cb -0.20 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.92 2i2t s LEU 33 CO 0.21 -0.55 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.05 2i2t s GLU 34 N 0.45 0.54 0.00 1.98 2.02 -1.26 -3.85 118.70 118.58 2i2t s GLU 34 Ca 0.59 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2i2t s GLU 34 Cb -0.35 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.27 2i2t s GLU 34 CO 0.34 -0.07 0.45 1.47 0.02 0.00 0.00 175.26 177.47 2i2t n LEU 35 N 3.88 -0.38 -1.36 1.80 -0.00 -0.90 -4.97 117.00 115.07 2i2t n LEU 35 Ca -0.24 -0.89 0.16 0.00 -0.00 0.00 0.00 56.01 55.04 2i2t n LEU 35 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2i2t n LEU 35 CO 0.24 0.95 -0.46 0.29 -0.00 0.00 0.00 177.39 178.40 2i2t n LYS 36 N 0.00 -2.87 -3.23 1.47 5.02 -1.26 -4.79 118.16 112.49 2i2t n LYS 36 Ca -0.11 2.21 0.00 0.00 -2.02 0.00 0.00 58.31 58.39 2i2t n LYS 36 Cb 0.42 -3.47 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 2i2t n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i2t n LYS 37 N -4.12 -0.04 -3.70 1.97 5.02 0.94 -4.63 118.16 113.61 2i2t n LYS 37 Ca -0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.97 2i2t n LYS 37 Cb 0.65 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.50 2i2t n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2i2t s PHE 38 N -3.00 0.75 -0.29 2.13 5.36 -1.26 0.01 117.98 121.68 2i2t s PHE 38 Ca 0.00 -0.64 -0.13 0.00 -0.96 0.00 0.00 56.93 55.20 2i2t s PHE 38 Cb 0.00 -0.91 -0.04 0.00 -0.34 0.00 0.00 43.02 41.74 2i2t s PHE 38 CO 0.00 -0.56 0.30 0.16 -1.46 0.00 0.00 175.22 173.66 2i2t s ASP 39 N 1.95 6.14 0.31 6.13 -4.77 -1.25 -4.98 116.67 120.20 2i2t s ASP 39 Ca 0.00 0.06 0.02 0.00 -3.30 0.00 0.00 52.55 49.33 2i2t s ASP 39 Cb -0.16 -2.17 0.76 0.00 -1.09 0.00 0.00 42.92 40.25 2i2t s ASP 39 CO -0.08 -0.16 1.54 -2.65 0.70 0.00 0.00 175.17 174.52 2i2t n PRO 40 N 5.23 -0.08 0.00 2.11 -0.02 -1.26 -2.09 135.00 138.88 2i2t n PRO 40 Ca -0.11 1.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.84 2i2t n PRO 40 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2i2t n PRO 40 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2i2t n VAL 41 N -5.47 0.00 0.20 -1.45 0.24 -1.26 -0.31 118.33 110.28 2i2t n VAL 41 Ca 0.23 1.30 0.06 0.00 -2.04 0.00 0.00 64.34 63.89 2i2t n VAL 41 Cb 0.76 -1.88 0.30 0.00 -1.47 0.00 0.00 33.84 31.55 2i2t n VAL 41 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2i2t n VAL 42 N -2.05 1.37 -1.31 3.34 0.31 -1.10 -4.80 118.33 114.09 2i2t n VAL 42 Ca 0.00 0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 64.70 2i2t n VAL 42 Cb 0.00 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2i2t n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i2t n ARG 43 N -1.83 -1.65 -4.07 5.55 1.74 0.58 -4.93 116.66 112.05 2i2t n ARG 43 Ca 0.01 0.88 -0.12 0.00 -0.77 0.00 0.00 57.85 57.84 2i2t n ARG 43 Cb 0.07 -5.23 -0.11 0.00 -1.02 0.00 0.00 32.46 26.17 2i2t n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2i2t s GLN 44 N -2.94 0.55 0.64 5.56 -1.52 -1.25 -5.01 119.66 115.69 2i2t s GLN 44 Ca 0.00 -0.85 -0.16 0.00 -1.95 0.00 0.00 55.36 52.40 2i2t s GLN 44 Cb 0.00 -0.22 -0.01 0.00 -0.22 0.00 0.00 33.01 32.57 2i2t s GLN 44 CO 0.00 0.02 1.15 -1.01 -0.25 0.00 0.00 175.29 175.20 2i2t s HIS 45 N -1.83 2.46 -0.07 0.91 3.76 -1.26 -3.81 115.29 115.44 2i2t s HIS 45 Ca -0.07 1.56 -0.31 0.00 -0.15 0.00 0.00 55.06 56.09 2i2t s HIS 45 Cb -0.07 -3.31 0.12 0.00 1.11 0.00 0.00 32.58 30.43 2i2t s HIS 45 CO -0.01 -1.96 1.07 0.54 -0.85 0.00 0.00 174.74 173.53 2i2t s VAL 46 N -2.03 0.00 0.64 -0.90 0.11 0.10 -4.96 120.40 113.36 2i2t s VAL 46 Ca 0.71 -0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.50 2i2t s VAL 46 Cb -0.25 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.40 2i2t s VAL 46 CO 0.38 0.00 1.27 -0.63 -3.33 0.00 0.00 175.10 172.79 2i2t s ILE 47 N -2.76 2.20 -0.10 7.04 1.09 -1.26 -0.04 121.20 127.37 2i2t s ILE 47 Ca 0.08 0.12 -0.01 0.00 -1.10 0.00 0.00 60.65 59.74 2i2t s ILE 47 Cb -0.00 -3.02 0.03 0.00 -1.06 0.00 0.00 42.46 38.40 2i2t s ILE 47 CO -0.06 -0.03 -0.01 -0.31 -0.10 0.00 0.00 174.94 174.44 2i2t s TYR 48 N -1.48 0.87 0.10 3.97 2.02 -1.26 -1.12 117.35 120.45 2i2t s TYR 48 Ca 0.81 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.15 2i2t s TYR 48 Cb -0.35 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 2i2t s TYR 48 CO 0.38 -0.40 0.11 1.17 -1.57 0.00 0.00 175.55 175.24 2i2t n LYS 49 N 5.10 1.16 -1.81 -0.62 3.00 -0.94 -2.12 118.16 121.93 2i2t n LYS 49 Ca -0.08 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 57.62 2i2t n LYS 49 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2i2t n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2i2t n GLU 50 N -0.95 -3.56 -2.68 1.64 0.00 -1.25 -2.56 120.64 111.28 2i2t n GLU 50 Ca 0.01 2.73 -0.06 0.00 0.00 0.00 0.00 57.16 59.84 2i2t n GLU 50 Cb 0.11 -3.21 0.06 0.00 0.00 0.00 0.00 31.44 28.40 2i2t n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2t n ALA 51 N 1.24 -0.28 -0.04 4.31 0.00 -1.26 -4.29 120.51 120.20 2i2t n ALA 51 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2i2t n ALA 51 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2i2t n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13