#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 -4.83 0.00 0.00 0.00 -1.26 -1.53 120.51 112.89 1shi n ALA 2 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1shi n ALA 2 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.06 -2.10 -4.11 0.00 5.02 -1.26 -0.06 118.16 115.58 1shi n LYS 4 Ca 0.00 -0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 55.60 1shi n LYS 4 Cb 0.00 -0.61 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1shi h ASP 6 N 3.54 0.15 -1.69 0.00 3.58 -1.86 -3.19 116.42 116.96 1shi h ASP 6 Ca -0.35 0.06 -0.36 0.00 0.42 0.00 0.00 57.03 56.81 1shi h ASP 6 Cb 1.17 0.05 -0.27 0.00 1.72 0.00 0.00 39.33 42.00 1shi h ASP 6 CO 0.57 -0.05 -0.72 1.51 -2.88 0.00 0.00 179.24 177.67 1shi s ASP 7 N -4.64 0.08 0.20 2.28 -4.77 -1.26 -4.98 116.67 103.58 1shi s ASP 7 Ca -0.06 -2.22 -0.05 0.00 -3.30 0.00 0.00 52.55 46.91 1shi s ASP 7 Cb 0.27 0.76 0.13 0.00 -1.09 0.00 0.00 42.92 42.99 1shi s ASP 7 CO 0.83 -0.13 1.56 -0.33 0.70 0.00 0.00 175.17 177.80 1shi h GLU 8 N 5.62 0.72 0.00 2.11 5.08 -1.95 -3.49 114.58 122.66 1shi h GLU 8 Ca 0.14 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1shi h GLU 8 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1shi h GLU 8 CO 0.19 0.97 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 1shi n GLY 9 N -0.01 -0.07 0.02 -3.84 0.00 -1.26 -5.00 105.19 95.03 1shi n GLY 9 Ca -0.01 -1.12 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 1shi n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1shi h PRO 10 N 0.00 0.00 0.00 1.61 0.13 -1.98 -3.50 132.00 128.26 1shi h PRO 10 Ca 0.00 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.46 1shi h PRO 10 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1shi h PRO 10 CO 0.00 0.00 -0.44 -0.25 -0.23 0.00 0.00 178.00 177.08 1shi n ASP 11 N -3.26 -7.98 0.00 1.44 8.00 -1.26 -4.93 116.55 108.57 1shi n ASP 11 Ca -0.00 1.30 0.00 0.00 0.71 0.00 0.00 54.79 56.80 1shi n ASP 11 Cb 0.01 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 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 -3.85 0.00 -0.00 0.53 0.00 -1.26 -4.99 119.36 109.79 1shi n ILE 12 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 62.76 1shi n ILE 12 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 39.64 40.06 1shi n ILE 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1shi h ARG 13 N 0.00 0.00 0.00 9.51 9.65 -2.05 -3.50 114.38 127.99 1shi h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1shi h ARG 13 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1shi h ARG 13 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 179.97 183.02 1shi n THR 14 N -2.24 0.00 -3.59 0.20 -2.24 -1.26 -5.17 114.28 99.98 1shi n THR 14 Ca -0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1shi n THR 14 Cb 0.00 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shi s ALA 15 N -2.00 -1.96 -1.10 6.98 0.00 -1.26 -4.89 121.76 117.53 1shi s ALA 15 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.63 1shi s ALA 15 Cb 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 22.32 1shi s ALA 15 CO 0.00 -0.29 0.73 -0.35 0.00 0.00 0.00 175.76 175.85 1shi n PRO 16 N 0.97 1.44 -3.69 0.00 -0.04 -1.26 -4.91 135.00 127.51 1shi n PRO 16 Ca -0.10 -0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 62.75 1shi n PRO 16 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.02 -2.64 -0.39 1.53 4.32 -1.26 -4.79 117.00 113.80 1shi n LEU 17 Ca 0.03 -0.85 0.03 0.00 -0.02 0.00 0.00 56.01 55.20 1shi n LEU 17 Cb 0.32 -1.95 0.08 0.00 -1.62 0.00 0.00 43.42 40.25 1shi n LEU 17 CO 0.04 0.17 0.55 0.35 -1.22 0.00 0.00 177.39 177.28 1shi n THR 18 N -2.76 0.29 -4.18 -5.08 -2.24 -1.25 -4.63 114.28 94.43 1shi n THR 18 Ca -0.24 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 60.95 1shi n THR 18 Cb 0.65 0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shi s GLY 19 N -0.92 1.82 -0.51 3.38 0.00 0.91 -4.32 107.32 107.69 1shi s GLY 19 Ca 0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1shi s GLY 19 CO 0.08 0.00 0.29 -1.59 0.00 0.00 0.00 173.10 171.88 1shi s THR 20 N 0.37 3.24 0.17 0.90 2.01 -0.83 -0.35 115.64 121.15 1shi s THR 20 Ca -0.00 -2.66 -0.32 0.00 0.31 0.00 0.00 61.69 59.01 1shi s THR 20 Cb -0.13 -3.19 -0.16 0.00 0.01 0.00 0.00 72.50 69.03 1shi s THR 20 CO 0.01 -0.77 1.08 0.52 -0.69 0.00 0.00 174.62 174.77 1shi n VAL 21 N 3.87 1.04 -3.73 3.82 0.31 -0.58 -1.59 118.33 121.46 1shi n VAL 21 Ca 0.04 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.83 1shi n VAL 21 Cb 0.38 -0.71 -0.11 0.00 -0.91 0.00 0.00 33.84 32.49 1shi n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1shi n ASP 22 N 1.90 1.87 -4.51 4.52 9.92 -1.26 -3.67 116.55 125.31 1shi n ASP 22 Ca 0.15 -2.94 -0.50 0.00 -0.53 0.00 0.00 54.79 50.97 1shi n ASP 22 Cb 0.24 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 39.99 1shi n ASP 22 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1shi n LEU 23 N 2.24 0.36 0.00 0.64 4.32 -1.26 -2.10 117.00 121.20 1shi n LEU 23 Ca 0.23 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.37 1shi n LEU 23 Cb 0.39 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 1shi n LEU 23 CO 0.21 -1.96 0.00 0.61 -1.22 0.00 0.00 177.39 175.03 1shi n GLY 24 N 1.82 2.45 0.00 -0.72 0.00 -1.26 -4.94 105.19 102.55 1shi n GLY 24 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1shi n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1shi n SER 25 N 2.28 0.00 -4.50 1.61 2.88 -0.89 -5.06 113.62 109.94 1shi n SER 25 Ca 0.00 0.00 -0.50 0.00 -1.33 0.00 0.00 58.87 57.04 1shi n SER 25 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi s ASN 27 N -0.45 4.80 0.18 0.00 -0.87 -1.26 -5.02 114.94 112.31 1shi s ASN 27 Ca 0.71 -1.07 -0.31 0.00 -1.57 0.00 0.00 52.86 50.62 1shi s ASN 27 Cb -0.94 0.18 -0.10 0.00 -0.02 0.00 0.00 41.25 40.37 1shi s ASN 27 CO 0.56 -1.05 1.56 0.00 -2.57 0.00 0.00 177.10 175.59 1shi s ALA 28 N -2.69 3.76 0.00 0.60 0.00 -1.26 -2.13 121.76 120.05 1shi s ALA 28 Ca 0.42 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1shi s ALA 28 Cb -0.03 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1shi s ALA 28 CO 0.26 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1shi n GLY 29 N 3.58 2.05 3.50 0.00 0.00 -1.26 -5.07 105.19 107.99 1shi n GLY 29 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.40 2.31 -0.10 1.61 0.52 -0.90 -1.70 118.94 118.27 1shi s TRP 30 Ca 0.00 -0.46 -0.04 0.00 0.02 0.00 0.00 56.10 55.62 1shi s TRP 30 Cb 0.00 -1.21 0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1shi s TRP 30 CO 0.00 0.60 0.21 -2.00 0.02 0.00 0.00 176.95 175.78 1shi s GLU 31 N -3.59 0.11 0.58 4.98 2.56 -0.69 -4.66 118.70 118.00 1shi s GLU 31 Ca 0.31 0.62 -0.18 0.00 0.00 0.00 0.00 54.97 55.72 1shi s GLU 31 Cb -0.00 -0.14 -0.13 0.00 2.00 0.00 0.00 34.13 35.85 1shi s GLU 31 CO 0.15 -0.27 -0.07 1.17 -0.56 0.00 0.00 175.26 175.68 1shi n LYS 32 N 5.10 0.09 0.00 4.30 4.81 -1.26 -1.82 118.16 129.38 1shi n LYS 32 Ca -0.10 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1shi n LYS 32 Cb 0.50 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.40 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 -0.03 0.21 -0.90 0.00 0.00 -1.23 -2.31 121.76 117.50 1shi s ALA 34 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 1shi s ALA 34 Cb 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 23.12 22.19 1shi s ALA 34 CO 0.00 -0.60 2.47 0.43 0.00 0.00 0.00 175.76 178.05 1shi n SER 35 N 5.30 0.23 -3.09 0.00 7.64 -1.26 -1.41 113.62 121.02 1shi n SER 35 Ca -0.04 -0.31 -0.02 0.00 1.01 0.00 0.00 58.87 59.51 1shi n SER 35 Cb 0.50 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1shi n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shi n TYR 36 N 10.70 -2.96 0.00 1.43 9.36 -1.26 -4.93 117.16 129.50 1shi n TYR 36 Ca 0.60 1.14 0.00 0.00 3.32 0.00 0.00 57.90 62.96 1shi n TYR 36 Cb 0.18 -4.03 0.00 0.00 -0.63 0.00 0.00 39.34 34.86 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 -1.74 0.00 0.00 2.98 9.36 -0.50 -4.77 117.16 122.49 1shi n TYR 37 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1shi n TYR 37 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1shi n TYR 37 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1shi n THR 38 N 0.00 0.00 0.05 2.97 5.66 -1.22 -4.99 114.28 116.75 1shi n THR 38 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1shi n THR 38 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1shi n THR 38 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1shi n ILE 39 N 0.00 0.00 -1.50 1.09 2.08 -1.26 -4.63 119.36 115.14 1shi n ILE 39 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1shi n ILE 39 Cb 0.00 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 39.91 1shi n ILE 39 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1shi n ILE 40 N 0.02 0.00 -4.14 1.39 2.08 -1.26 -5.11 119.36 112.34 1shi n ILE 40 Ca 0.01 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 1shi n ILE 40 Cb 0.03 0.65 -0.07 0.00 -0.75 0.00 0.00 39.64 39.50 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi s ALA 41 N 0.00 0.85 0.00 -1.39 0.00 -1.26 -4.10 121.76 115.86 1shi s ALA 41 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1shi s ALA 41 Cb 0.00 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.39 1shi s ALA 41 CO 0.00 -0.72 0.97 -0.25 0.00 0.00 0.00 175.76 175.76 1shi n ASP 42 N -0.84 0.00 -3.14 0.00 9.92 -1.26 -2.81 116.55 118.42 1shi n ASP 42 Ca 0.02 -1.93 -0.02 0.00 -0.53 0.00 0.00 54.79 52.32 1shi n ASP 42 Cb 0.63 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.83 3.87 -0.51 0.00 3.52 -0.75 -1.97 118.95 124.93 1shi s ARG 45 Ca 0.08 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.73 1shi s ARG 45 Cb -0.17 -3.15 -0.11 0.00 -1.56 0.00 0.00 34.95 29.96 1shi s ARG 45 CO 0.11 0.65 2.38 1.63 -0.81 0.00 0.00 175.30 179.26 1shi n LYS 46 N 1.55 0.95 -1.45 5.12 5.02 -1.26 -1.69 118.16 126.40 1shi n LYS 46 Ca -0.12 0.14 -0.45 0.00 -2.02 0.00 0.00 58.31 55.86 1shi n LYS 46 Cb 0.52 -2.75 -0.12 0.00 -0.02 0.00 0.00 35.03 32.66 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1shi n LYS 47 N 8.64 0.24 0.00 1.97 5.02 -0.69 -4.92 118.16 128.43 1shi n LYS 47 Ca 0.43 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1shi n LYS 47 Cb 0.34 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1shi n LYS 47 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05