#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 -4.84 0.00 0.00 0.00 -1.26 -2.54 120.51 111.87 1shi n ALA 2 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1shi n ALA 2 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.01 -2.61 -3.97 0.00 5.02 -1.26 -2.46 118.16 112.86 1shi n LYS 4 Ca 0.00 -0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 55.78 1shi n LYS 4 Cb 0.00 -0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1shi n ASP 6 N -0.94 0.00 -0.50 0.00 2.03 -1.24 -2.97 116.55 112.93 1shi n ASP 6 Ca -0.03 -1.09 0.04 0.00 0.52 0.00 0.00 54.79 54.23 1shi n ASP 6 Cb 0.61 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.08 1shi n ASP 6 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1shi n ASP 7 N -0.88 1.02 0.03 1.67 9.92 -1.26 -4.89 116.55 122.16 1shi n ASP 7 Ca 0.16 -2.51 -0.07 0.00 -0.53 0.00 0.00 54.79 51.84 1shi n ASP 7 Cb 0.07 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 1shi n ASP 7 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1shi h GLU 8 N 0.22 -0.31 0.00 -1.24 4.39 -1.92 -3.48 114.58 112.24 1shi h GLU 8 Ca -0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1shi h GLU 8 Cb 1.30 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1shi h GLU 8 CO 0.01 -0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.07 1shi n GLY 9 N -1.21 3.08 2.92 -3.84 0.00 -1.26 -4.99 105.19 99.89 1shi n GLY 9 Ca -0.03 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.99 2.96 -0.00 1.61 -0.04 -1.26 -4.53 135.00 132.74 1shi n PRO 10 Ca 0.00 -2.80 -0.03 0.00 -0.04 0.00 0.00 63.50 60.63 1shi n PRO 10 Cb 0.00 -3.31 -0.01 0.00 -0.04 0.00 0.00 33.50 30.14 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 6.46 1.38 0.00 3.54 9.92 -1.26 -5.00 116.55 131.60 1shi n ASP 11 Ca 0.51 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1shi n ASP 11 Cb 0.40 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1shi n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1shi n ILE 12 N -3.82 0.00 0.00 0.53 0.00 -1.26 -4.84 119.36 109.97 1shi n ILE 12 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.70 1shi n ILE 12 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.83 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1shi n ARG 13 N -2.00 0.00 -3.59 9.51 1.74 -1.26 -4.99 116.66 116.07 1shi n ARG 13 Ca 0.00 0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1shi n ARG 13 Cb 0.00 -0.74 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 1shi n ARG 13 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1shi s THR 14 N -0.99 -0.56 0.40 0.55 -4.23 -1.26 -5.14 115.64 104.41 1shi s THR 14 Ca 0.00 0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1shi s THR 14 Cb 0.00 -0.64 -0.11 0.00 1.34 0.00 0.00 72.50 73.10 1shi s THR 14 CO 0.00 0.03 0.94 0.00 -0.54 0.00 0.00 174.62 175.05 1shi s ALA 15 N 2.53 3.09 -1.04 3.99 0.00 -1.26 -4.93 121.76 124.14 1shi s ALA 15 Ca 0.03 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1shi s ALA 15 Cb -0.13 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 19.94 1shi s ALA 15 CO -0.12 0.15 0.70 -0.35 0.00 0.00 0.00 175.76 176.14 1shi n PRO 16 N -0.33 1.45 -3.71 0.00 -0.04 -1.26 -4.90 135.00 126.20 1shi n PRO 16 Ca 0.06 -0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 62.89 1shi n PRO 16 Cb 0.53 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.04 -2.50 0.00 1.53 4.32 -1.26 -4.78 117.00 114.35 1shi n LEU 17 Ca 0.03 -0.88 0.09 0.00 -0.02 0.00 0.00 56.01 55.23 1shi n LEU 17 Cb 0.33 -1.96 0.55 0.00 -1.62 0.00 0.00 43.42 40.72 1shi n LEU 17 CO 0.04 0.22 0.84 0.35 -1.22 0.00 0.00 177.39 177.62 1shi n THR 18 N -3.00 0.00 -3.98 -5.08 -2.24 -1.26 -4.63 114.28 94.09 1shi n THR 18 Ca -0.22 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1shi n THR 18 Cb 0.64 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.63 2.10 -0.28 3.38 0.00 -1.03 -4.48 107.32 105.38 1shi s GLY 19 Ca 0.28 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1shi s GLY 19 CO 0.21 -0.49 -0.03 -1.59 0.00 0.00 0.00 173.10 171.21 1shi s THR 20 N -1.07 1.89 0.10 0.90 2.01 -0.55 -2.55 115.64 116.38 1shi s THR 20 Ca 0.17 -1.69 -0.31 0.00 0.31 0.00 0.00 61.69 60.17 1shi s THR 20 Cb -0.12 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.11 1shi s THR 20 CO 0.07 -0.27 1.61 -0.69 -0.69 0.00 0.00 174.62 174.65 1shi s VAL 21 N 1.18 2.93 -0.55 3.82 1.01 -1.05 -1.21 120.40 126.52 1shi s VAL 21 Ca -0.01 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1shi s VAL 21 Cb -0.19 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.01 1shi s VAL 21 CO -0.08 0.01 0.31 -1.81 0.00 0.00 0.00 175.10 173.54 1shi s ASP 22 N 1.97 4.63 -0.70 3.32 1.11 -1.26 -4.02 116.67 121.72 1shi s ASP 22 Ca 0.72 -2.94 -0.35 0.00 0.18 0.00 0.00 52.55 50.17 1shi s ASP 22 Cb -0.41 -1.71 -0.18 0.00 1.07 0.00 0.00 42.92 41.69 1shi s ASP 22 CO 0.32 -0.28 2.43 0.18 1.18 0.00 0.00 175.17 178.99 1shi n LEU 23 N 3.27 0.93 0.00 1.23 4.32 -1.26 -2.90 117.00 122.59 1shi n LEU 23 Ca 0.06 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1shi n LEU 23 Cb 0.34 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1shi n LEU 23 CO 0.33 -0.83 0.00 0.61 -1.22 0.00 0.00 177.39 176.29 1shi n GLY 24 N 6.75 0.74 1.36 -0.72 0.00 -1.26 -5.07 105.19 106.99 1shi n GLY 24 Ca 0.56 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 -7.35 -4.26 1.61 2.88 -1.14 -4.78 113.62 100.58 1shi n SER 25 Ca 0.00 1.48 -0.35 0.00 -1.33 0.00 0.00 58.87 58.67 1shi n SER 25 Cb 0.00 -4.54 0.07 0.00 -0.75 0.00 0.00 64.21 58.99 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 -1.41 3.68 -0.06 0.00 0.01 -1.26 -5.06 114.94 110.85 1shi s ASN 27 Ca 0.53 -1.45 -0.30 0.00 -0.71 0.00 0.00 52.86 50.93 1shi s ASN 27 Cb -0.26 -0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.24 1shi s ASN 27 CO 0.71 -0.59 1.59 0.00 -1.51 0.00 0.00 177.10 177.30 1shi s ALA 28 N -2.85 3.62 0.00 0.60 0.00 -1.26 -2.33 121.76 119.54 1shi s ALA 28 Ca 0.28 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1shi s ALA 28 Cb 0.08 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1shi s ALA 28 CO 0.14 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1shi n GLY 29 N 4.03 1.92 3.66 0.00 0.00 -1.26 -5.09 105.19 108.45 1shi n GLY 29 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 2.37 -0.09 1.61 0.52 -0.99 -2.97 118.94 117.31 1shi s TRP 30 Ca 0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 56.10 55.36 1shi s TRP 30 Cb 0.00 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1shi s TRP 30 CO 0.00 0.39 0.05 -1.21 0.02 0.00 0.00 176.95 176.20 1shi s GLU 31 N -3.76 0.16 0.54 4.98 2.02 -0.67 -4.72 118.70 117.26 1shi s GLU 31 Ca 0.29 0.15 -0.18 0.00 0.02 0.00 0.00 54.97 55.24 1shi s GLU 31 Cb 0.08 -1.05 -0.13 0.00 0.10 0.00 0.00 34.13 33.13 1shi s GLU 31 CO 0.15 -0.43 0.04 1.17 0.02 0.00 0.00 175.26 176.21 1shi n LYS 32 N 5.24 0.14 0.00 1.61 4.81 -1.26 -1.59 118.16 127.11 1shi n LYS 32 Ca -0.05 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1shi n LYS 32 Cb 0.50 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.36 0.06 0.24 0.00 0.00 -1.03 -3.67 121.76 117.00 1shi s ALA 34 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1shi s ALA 34 Cb 0.00 -0.22 0.30 0.00 0.00 0.00 0.00 23.12 23.21 1shi s ALA 34 CO 0.00 -0.09 1.59 0.77 0.00 0.00 0.00 175.76 178.02 1shi h SER 35 N 7.13 -0.91 -2.00 0.00 0.02 -1.96 -3.27 113.55 112.56 1shi h SER 35 Ca -0.43 0.25 -0.52 0.00 -0.84 0.00 0.00 61.79 60.26 1shi h SER 35 Cb 1.13 0.55 -0.35 0.00 0.14 0.00 0.00 62.40 63.88 1shi h SER 35 CO 0.48 -0.28 -0.94 0.00 -1.14 0.00 0.00 176.83 174.95 1shi n TYR 36 N -5.51 -1.21 0.00 3.45 9.36 -1.26 -4.93 117.16 117.05 1shi n TYR 36 Ca 0.11 -3.09 0.00 0.00 3.32 0.00 0.00 57.90 58.23 1shi n TYR 36 Cb 0.41 0.29 0.00 0.00 -0.63 0.00 0.00 39.34 39.41 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 2.39 0.00 0.00 2.98 9.36 -1.13 -4.79 117.16 125.97 1shi n TYR 37 Ca 0.25 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.47 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 -1.19 -4.99 114.28 116.79 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 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.06 -1.59 1.09 5.41 -1.26 -4.63 119.36 118.44 1shi n ILE 39 Ca 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.22 1shi n ILE 39 Cb 0.00 1.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.93 1shi n ILE 39 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1shi n ILE 40 N 0.05 0.00 -4.04 1.39 2.08 -1.26 -5.11 119.36 112.47 1shi n ILE 40 Ca 0.01 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.20 1shi n ILE 40 Cb 0.05 0.56 -0.04 0.00 -0.75 0.00 0.00 39.64 39.46 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 0.33 0.00 -1.39 0.00 -1.26 -4.03 121.76 115.42 1shi s ALA 41 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1shi s ALA 41 Cb 0.00 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.22 1shi s ALA 41 CO 0.00 -0.82 0.48 -0.25 0.00 0.00 0.00 175.76 175.17 1shi n ASP 42 N -1.00 0.00 -2.69 0.00 8.00 -1.26 -2.83 116.55 116.76 1shi n ASP 42 Ca -0.01 -1.00 -0.03 0.00 0.71 0.00 0.00 54.79 54.47 1shi n ASP 42 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.70 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shi s ARG 45 N 1.52 4.27 -0.21 0.00 3.00 -0.62 -1.48 118.95 125.43 1shi s ARG 45 Ca 0.08 0.46 -0.31 0.00 -1.00 0.00 0.00 55.73 54.96 1shi s ARG 45 Cb -0.15 -3.39 -0.08 0.00 0.00 0.00 0.00 34.95 31.33 1shi s ARG 45 CO 0.09 0.27 2.15 1.17 0.00 0.00 0.00 175.30 178.98 1shi n LYS 46 N 3.26 1.88 -1.44 5.12 4.81 -1.26 -1.67 118.16 128.85 1shi n LYS 46 Ca -0.08 0.57 -0.46 0.00 -0.87 0.00 0.00 58.31 57.46 1shi n LYS 46 Cb 0.52 -2.96 -0.12 0.00 0.02 0.00 0.00 35.03 32.49 1shi n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1shi n LYS 47 N 8.23 0.29 0.00 1.64 2.85 -1.16 -4.94 118.16 125.07 1shi n LYS 47 Ca 0.31 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1shi n LYS 47 Cb 0.37 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1shi n LYS 47 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71