#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi n ALA 2 N 0.00 -0.71 -1.25 0.00 0.00 -1.26 -1.58 120.51 115.71 1shi n ALA 2 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1shi n ALA 2 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi n LYS 4 N 0.00 -2.27 -2.88 0.00 4.81 -1.25 -4.79 118.16 111.78 1shi n LYS 4 Ca 0.00 1.82 -0.37 0.00 -0.87 0.00 0.00 58.31 58.89 1shi n LYS 4 Cb 0.53 -2.67 -0.06 0.00 0.02 0.00 0.00 35.03 32.84 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi h ASP 6 N 3.37 0.00 -0.92 0.00 3.58 -1.87 -3.12 116.42 117.46 1shi h ASP 6 Ca -0.47 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.69 1shi h ASP 6 Cb 1.19 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.03 1shi h ASP 6 CO 0.65 0.00 -0.63 -0.67 -2.88 0.00 0.00 179.24 175.71 1shi n ASP 7 N -4.04 -2.41 -0.02 2.28 -0.08 -1.26 -4.98 116.55 106.04 1shi n ASP 7 Ca 0.33 -2.97 -0.01 0.00 -1.51 0.00 0.00 54.79 50.63 1shi n ASP 7 Cb 1.56 1.19 0.28 0.00 2.34 0.00 0.00 41.12 46.49 1shi n ASP 7 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1shi h GLU 8 N 4.57 0.57 0.00 -0.67 5.08 -1.94 -3.49 114.58 118.70 1shi h GLU 8 Ca 0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1shi h GLU 8 Cb 1.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1shi h GLU 8 CO 0.24 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 1shi n GLY 9 N -0.88 0.49 2.57 -3.84 0.00 -1.26 -4.87 105.19 97.41 1shi n GLY 9 Ca 0.02 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1shi n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shi n PRO 10 N 0.00 3.24 -1.95 1.61 -0.04 -1.26 -4.45 135.00 132.15 1shi n PRO 10 Ca 0.00 -2.50 -0.01 0.00 -0.04 0.00 0.00 63.50 60.95 1shi n PRO 10 Cb 0.00 -3.08 0.06 0.00 -0.04 0.00 0.00 33.50 30.44 1shi n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1shi n ASP 11 N 4.98 1.87 0.03 3.54 8.00 -1.26 -4.81 116.55 128.90 1shi n ASP 11 Ca 0.62 -2.52 0.08 0.00 0.71 0.00 0.00 54.79 53.68 1shi n ASP 11 Cb 0.33 -0.40 0.34 0.00 -0.02 0.00 0.00 41.12 41.36 1shi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shi n ILE 12 N -0.30 1.04 -0.02 0.53 3.06 -1.26 -1.97 119.36 120.43 1shi n ILE 12 Ca 0.14 0.28 -0.21 0.00 -2.50 0.00 0.00 62.75 60.45 1shi n ILE 12 Cb 0.93 -1.09 -0.13 0.00 0.54 0.00 0.00 39.64 39.89 1shi n ILE 12 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1shi h ARG 13 N 0.00 0.17 -1.66 9.51 2.43 -1.98 -3.44 114.38 119.42 1shi h ARG 13 Ca 0.00 -0.29 -0.37 0.00 -0.81 0.00 0.00 59.98 58.50 1shi h ARG 13 Cb 0.25 0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 29.64 1shi h ARG 13 CO 0.00 1.14 -0.74 -2.37 -1.51 0.00 0.00 179.97 176.49 1shi n THR 14 N -4.07 -0.61 -2.88 0.20 5.66 -1.12 -5.13 114.28 106.32 1shi n THR 14 Ca -0.25 -2.25 -0.34 0.00 -3.05 0.00 0.00 64.05 58.16 1shi n THR 14 Cb 0.82 -0.34 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shi s ALA 15 N 0.43 3.15 -1.32 1.79 0.00 -0.83 -4.93 121.76 120.04 1shi s ALA 15 Ca 0.32 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1shi s ALA 15 Cb 0.03 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.16 1shi s ALA 15 CO -0.13 0.19 0.79 -0.35 0.00 0.00 0.00 175.76 176.26 1shi n PRO 16 N -0.22 1.33 -3.78 0.00 -0.04 -1.26 -4.90 135.00 126.13 1shi n PRO 16 Ca 0.05 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 1shi n PRO 16 Cb 0.53 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 1shi n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1shi n LEU 17 N -0.06 -2.07 -0.33 1.53 4.32 -1.26 -4.78 117.00 114.34 1shi n LEU 17 Ca 0.03 -0.98 0.03 0.00 -0.02 0.00 0.00 56.01 55.06 1shi n LEU 17 Cb 0.25 -1.92 0.07 0.00 -1.62 0.00 0.00 43.42 40.20 1shi n LEU 17 CO 0.03 0.37 0.55 1.07 -1.22 0.00 0.00 177.39 178.19 1shi n THR 18 N -3.48 0.24 -3.79 -5.08 5.66 -1.26 -4.75 114.28 101.83 1shi n THR 18 Ca -0.19 -0.22 -0.36 0.00 -3.05 0.00 0.00 64.05 60.22 1shi n THR 18 Cb 0.62 0.07 -0.07 0.00 -1.55 0.00 0.00 70.33 69.40 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1shi s GLY 19 N -0.94 2.14 -0.06 1.09 0.00 -1.26 -4.49 107.32 103.81 1shi s GLY 19 Ca 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 1shi s GLY 19 CO 0.07 -0.12 -0.00 -1.59 0.00 0.00 0.00 173.10 171.46 1shi s THR 20 N -0.46 0.33 -0.19 0.90 2.01 -0.66 -2.19 115.64 115.38 1shi s THR 20 Ca 0.13 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 1shi s THR 20 Cb -0.12 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1shi s THR 20 CO 0.02 0.23 0.45 -0.69 -0.69 0.00 0.00 174.62 173.95 1shi s VAL 21 N 1.71 5.16 -0.36 3.82 1.01 -0.61 -1.95 120.40 129.18 1shi s VAL 21 Ca 0.01 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1shi s VAL 21 Cb -0.13 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1shi s VAL 21 CO -0.04 0.24 0.16 -1.81 0.00 0.00 0.00 175.10 173.65 1shi s ASP 22 N 1.02 5.56 -0.28 3.32 1.11 -1.26 -1.53 116.67 124.61 1shi s ASP 22 Ca 0.22 -1.06 -0.37 0.00 0.18 0.00 0.00 52.55 51.52 1shi s ASP 22 Cb -0.15 -1.96 -0.13 0.00 1.07 0.00 0.00 42.92 41.75 1shi s ASP 22 CO 0.09 -0.36 1.94 0.18 1.18 0.00 0.00 175.17 178.20 1shi n LEU 23 N 4.92 2.45 0.00 1.23 7.99 -1.26 -2.14 117.00 130.19 1shi n LEU 23 Ca -0.12 0.81 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1shi n LEU 23 Cb 0.45 -1.22 0.00 0.00 -0.11 0.00 0.00 43.42 42.55 1shi n LEU 23 CO 0.34 -0.47 0.00 0.61 -1.51 0.00 0.00 177.39 176.36 1shi n GLY 24 N 5.19 2.42 0.00 -0.72 0.00 -1.26 -5.02 105.19 105.80 1shi n GLY 24 Ca 0.32 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1shi n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1shi n SER 25 N 0.34 0.00 -4.37 1.61 3.41 -0.91 -4.96 113.62 108.74 1shi n SER 25 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1shi n SER 25 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shi n ASN 27 N -1.35 2.76 -4.53 0.00 4.13 -1.26 -5.07 115.26 109.93 1shi n ASN 27 Ca 0.05 -2.63 -0.43 0.00 1.68 0.00 0.00 54.58 53.25 1shi n ASN 27 Cb 0.56 0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.89 1shi n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1shi s ALA 28 N -2.66 3.21 0.00 5.41 0.00 -1.26 -3.74 121.76 122.73 1shi s ALA 28 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1shi s ALA 28 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1shi s ALA 28 CO 0.07 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 174.04 1shi n GLY 29 N 5.05 1.18 3.99 0.00 0.00 -1.26 -5.13 105.19 109.02 1shi n GLY 29 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1shi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1shi s TRP 30 N 0.00 3.12 -0.22 1.61 0.52 -1.25 -4.10 118.94 118.63 1shi s TRP 30 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1shi s TRP 30 Cb 0.00 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1shi s TRP 30 CO 0.00 0.01 -0.13 -1.83 0.02 0.00 0.00 176.95 175.02 1shi s GLU 31 N -4.16 2.76 -0.21 4.98 -1.05 -0.89 -4.90 118.70 115.23 1shi s GLU 31 Ca 0.44 -1.00 -0.41 0.00 -0.15 0.00 0.00 54.97 53.85 1shi s GLU 31 Cb -0.09 -2.78 -0.18 0.00 -0.44 0.00 0.00 34.13 30.63 1shi s GLU 31 CO 0.31 -0.36 1.50 1.17 0.95 0.00 0.00 175.26 178.83 1shi n LYS 32 N 4.59 0.61 -0.00 -4.83 4.81 -1.26 -1.56 118.16 120.52 1shi n LYS 32 Ca -0.18 0.22 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1shi n LYS 32 Cb 0.47 -1.81 -0.11 0.00 0.02 0.00 0.00 35.03 33.60 1shi n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi s ALA 34 N -2.82 0.14 0.59 0.00 0.00 -1.17 -3.40 121.76 115.09 1shi s ALA 34 Ca 0.03 0.26 0.32 0.00 0.00 0.00 0.00 51.96 52.58 1shi s ALA 34 Cb 0.13 -0.47 1.28 0.00 0.00 0.00 0.00 23.12 24.06 1shi s ALA 34 CO 0.73 -0.33 1.57 1.03 0.00 0.00 0.00 175.76 178.76 1shi h SER 35 N 7.95 0.00 0.00 0.00 0.87 -1.90 -3.42 113.55 117.04 1shi h SER 35 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1shi h SER 35 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1shi h SER 35 CO 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.59 1shi n TYR 36 N -3.59 0.00 0.00 2.24 9.36 -1.26 -4.99 117.16 118.91 1shi n TYR 36 Ca 0.23 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1shi n TYR 36 Cb 1.35 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.06 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1shi n TYR 37 N 0.00 0.00 -3.57 2.98 9.36 -1.25 -3.78 117.16 120.90 1shi n TYR 37 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 1shi n TYR 37 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 1shi n TYR 37 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1shi s THR 38 N 0.13 1.81 -0.96 2.97 -1.32 -0.58 -4.99 115.64 112.70 1shi s THR 38 Ca 0.00 -1.31 0.24 0.00 -1.21 0.00 0.00 61.69 59.41 1shi s THR 38 Cb 0.00 -2.12 0.20 0.00 -1.51 0.00 0.00 72.50 69.07 1shi s THR 38 CO 0.00 0.00 1.75 -0.38 -2.21 0.00 0.00 174.62 173.78 1shi n ILE 39 N -1.96 0.42 -2.68 5.08 5.41 -1.26 -3.49 119.36 120.88 1shi n ILE 39 Ca 0.05 0.07 -0.00 0.00 1.00 0.00 0.00 62.75 63.87 1shi n ILE 39 Cb 0.63 -0.71 0.04 0.00 -0.71 0.00 0.00 39.64 38.90 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi n ILE 40 N -1.59 1.05 -3.62 1.39 0.00 -1.26 -5.09 119.36 110.24 1shi n ILE 40 Ca 0.05 -2.54 -0.00 0.00 0.00 0.00 0.00 62.75 60.26 1shi n ILE 40 Cb 0.28 1.06 -0.01 0.00 0.00 0.00 0.00 39.64 40.97 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi s ALA 41 N -2.86 -2.30 0.00 1.51 0.00 -1.23 -4.87 121.76 112.02 1shi s ALA 41 Ca 0.30 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1shi s ALA 41 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1shi s ALA 41 CO -0.07 -0.68 0.00 -0.25 0.00 0.00 0.00 175.76 174.76 1shi n ASP 42 N -0.13 0.00 -3.16 0.00 9.92 -1.26 -1.53 116.55 120.38 1shi n ASP 42 Ca 0.02 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.32 1shi n ASP 42 Cb 0.58 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.05 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1shi s ARG 45 N -4.19 0.24 0.47 0.00 3.00 -0.60 -1.65 118.95 116.21 1shi s ARG 45 Ca 0.46 -0.21 -0.20 0.00 -1.00 0.00 0.00 55.73 54.78 1shi s ARG 45 Cb -0.03 -1.87 -0.13 0.00 0.00 0.00 0.00 34.95 32.91 1shi s ARG 45 CO 0.27 -0.69 0.22 1.17 0.00 0.00 0.00 175.30 176.27 1shi n LYS 46 N 5.21 0.23 -2.41 5.12 4.81 -1.26 -2.10 118.16 127.76 1shi n LYS 46 Ca -0.07 0.09 -0.38 0.00 -0.87 0.00 0.00 58.31 57.07 1shi n LYS 46 Cb 0.48 -1.25 -0.02 0.00 0.02 0.00 0.00 35.03 34.26 1shi n LYS 46 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1shi s LYS 47 N -1.34 3.49 0.00 1.64 1.02 -1.26 -4.73 119.74 118.55 1shi s LYS 47 Ca 0.61 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1shi s LYS 47 Cb -0.55 -5.44 0.00 0.00 -0.52 0.00 0.00 37.83 31.32 1shi s LYS 47 CO 0.61 -2.84 0.37 1.17 -0.92 0.00 0.00 175.35 173.74