#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 -4.46 -2.81 0.00 0.00 -1.26 -3.11 120.51 108.87 1shi n ALA 2 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 53.44 52.23 1shi n ALA 2 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi s LYS 4 N -3.56 3.25 0.72 0.00 1.02 -1.26 -1.54 119.74 118.37 1shi s LYS 4 Ca 0.02 -0.73 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 1shi s LYS 4 Cb 0.03 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1shi s LYS 4 CO -0.10 0.01 0.69 0.00 -0.92 0.00 0.00 175.35 175.03 1shi h ASP 6 N -0.33 0.34 0.52 0.00 1.82 -1.98 0.58 116.42 117.36 1shi h ASP 6 Ca -0.46 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1shi h ASP 6 Cb 1.34 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 1shi h ASP 6 CO 0.44 0.54 -0.01 -0.78 -1.61 0.00 0.00 179.24 177.83 1shi h ASP 7 N 0.32 0.00 0.00 2.28 1.82 -1.89 -2.56 116.42 116.40 1shi h ASP 7 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1shi h ASP 7 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1shi h ASP 7 CO 0.03 0.01 -0.01 -1.84 -1.61 0.00 0.00 179.24 175.82 1shi n GLU 8 N -3.12 2.34 0.00 0.28 0.28 -0.63 -4.86 120.64 114.93 1shi n GLU 8 Ca -0.01 -1.37 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 1shi n GLU 8 Cb 0.19 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.13 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1shi n GLY 9 N -0.45 -3.28 1.69 -1.84 0.00 0.19 -1.70 105.19 99.80 1shi n GLY 9 Ca 0.01 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.53 1.37 -2.46 1.61 -0.04 -1.26 -4.91 135.00 127.77 1shi n PRO 10 Ca 0.00 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 1shi n PRO 10 Cb 0.00 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 1shi n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1shi s ASP 11 N 1.75 7.03 0.01 3.54 1.11 -0.69 -4.88 116.67 124.53 1shi s ASP 11 Ca 0.21 1.76 0.22 0.00 0.18 0.00 0.00 52.55 54.93 1shi s ASP 11 Cb 0.11 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1shi s ASP 11 CO -0.01 -0.63 1.01 0.00 1.18 0.00 0.00 175.17 176.72 1shi n ILE 12 N 4.84 0.02 -0.06 0.77 3.06 -1.26 -4.51 119.36 122.23 1shi n ILE 12 Ca 0.12 -0.06 -0.04 0.00 -2.50 0.00 0.00 62.75 60.27 1shi n ILE 12 Cb 0.46 0.66 -0.01 0.00 0.54 0.00 0.00 39.64 41.29 1shi n ILE 12 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1shi h ARG 13 N 0.00 0.00 -3.70 9.51 3.08 -1.99 -3.50 114.38 117.79 1shi h ARG 13 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1shi h ARG 13 Cb 0.56 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.48 1shi h ARG 13 CO 0.00 0.00 -0.27 -0.08 -1.07 0.00 0.00 179.97 178.55 1shi s THR 14 N -2.00 0.10 -0.35 2.04 -1.32 -1.26 -5.13 115.64 107.72 1shi s THR 14 Ca -0.12 -1.06 -0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1shi s THR 14 Cb 0.02 -1.42 0.19 0.00 -1.51 0.00 0.00 72.50 69.77 1shi s THR 14 CO 0.17 -0.47 0.87 0.00 -2.21 0.00 0.00 174.62 172.98 1shi s ALA 15 N -3.87 -3.54 -0.93 11.08 0.00 -1.26 -4.74 121.76 118.50 1shi s ALA 15 Ca 0.07 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1shi s ALA 15 Cb 0.04 -2.87 0.12 0.00 0.00 0.00 0.00 23.12 20.40 1shi s ALA 15 CO -0.08 -2.32 0.69 -0.35 0.00 0.00 0.00 175.76 173.70 1shi n PRO 16 N 4.19 1.54 -3.61 0.00 -0.04 -1.26 -4.91 135.00 130.92 1shi n PRO 16 Ca 0.08 -0.45 -0.21 0.00 -0.04 0.00 0.00 63.50 62.88 1shi n PRO 16 Cb 0.60 -1.59 0.00 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 0.08 -3.00 0.00 1.53 4.32 -1.26 -4.77 117.00 113.89 1shi n LEU 17 Ca 0.04 -0.68 0.10 0.00 -0.02 0.00 0.00 56.01 55.45 1shi n LEU 17 Cb 0.37 -1.98 0.61 0.00 -1.62 0.00 0.00 43.42 40.81 1shi n LEU 17 CO 0.05 -0.00 0.86 0.35 -1.22 0.00 0.00 177.39 177.43 1shi n THR 18 N -2.15 0.00 -3.82 -5.08 -2.24 -1.20 -4.49 114.28 95.30 1shi n THR 18 Ca -0.23 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.34 1shi n THR 18 Cb 0.65 -0.39 -0.02 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 -1.73 1.29 -0.10 3.38 0.00 -0.59 -4.50 107.32 105.07 1shi s GLY 19 Ca 0.31 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1shi s GLY 19 CO 0.24 -1.22 0.24 -1.59 0.00 0.00 0.00 173.10 170.77 1shi s THR 20 N -2.06 -0.04 -0.02 0.90 2.01 -0.81 -1.63 115.64 114.00 1shi s THR 20 Ca 0.36 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1shi s THR 20 Cb -0.09 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1shi s THR 20 CO 0.30 0.06 1.25 -0.69 -0.69 0.00 0.00 174.62 174.85 1shi s VAL 21 N 1.17 4.06 -0.54 3.82 1.01 -1.18 -1.45 120.40 127.29 1shi s VAL 21 Ca -0.09 1.43 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 1shi s VAL 21 Cb -0.10 -3.92 0.13 0.00 0.00 0.00 0.00 36.38 32.50 1shi s VAL 21 CO -0.08 0.02 0.47 -1.81 0.00 0.00 0.00 175.10 173.71 1shi s ASP 22 N 1.49 6.06 -0.38 3.32 1.11 -0.84 -4.84 116.67 122.59 1shi s ASP 22 Ca 0.59 -1.91 -0.42 0.00 0.18 0.00 0.00 52.55 50.98 1shi s ASP 22 Cb -0.27 -2.14 -0.17 0.00 1.07 0.00 0.00 42.92 41.40 1shi s ASP 22 CO 0.25 -0.78 1.79 0.18 1.18 0.00 0.00 175.17 177.79 1shi n LEU 23 N 5.02 1.82 0.00 1.23 7.99 -1.26 -3.22 117.00 128.58 1shi n LEU 23 Ca -0.10 1.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 1shi n LEU 23 Cb 0.41 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1shi n LEU 23 CO 0.49 -0.62 0.00 0.61 -1.51 0.00 0.00 177.39 176.36 1shi n GLY 24 N 4.76 1.59 3.56 -0.72 0.00 -1.26 -5.00 105.19 108.11 1shi n GLY 24 Ca 0.33 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1shi n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1shi s SER 25 N -4.00 -0.66 0.06 1.61 0.15 -1.20 -4.76 113.70 104.90 1shi s SER 25 Ca 0.00 0.92 -0.38 0.00 0.70 0.00 0.00 55.95 57.19 1shi s SER 25 Cb 0.00 0.80 -0.18 0.00 -1.71 0.00 0.00 66.02 64.93 1shi s SER 25 CO 0.00 -0.48 1.22 0.00 1.20 0.00 0.00 173.24 175.18 1shi s ASN 27 N 0.25 4.61 0.97 0.00 3.84 -1.26 -5.07 114.94 118.29 1shi s ASN 27 Ca 0.86 -0.78 -0.13 0.00 0.21 0.00 0.00 52.86 53.01 1shi s ASN 27 Cb -1.08 -0.72 0.04 0.00 -0.55 0.00 0.00 41.25 38.94 1shi s ASN 27 CO 0.51 -0.26 0.32 0.00 -2.79 0.00 0.00 177.10 174.88 1shi n ALA 28 N -1.10 -2.86 -0.99 1.71 0.00 -1.26 -2.56 120.51 113.45 1shi n ALA 28 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1shi n ALA 28 Cb 0.61 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1shi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shi n GLY 29 N 1.62 0.54 3.40 0.00 0.00 -1.26 -5.01 105.19 104.48 1shi n GLY 29 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.26 1.86 -0.42 1.61 0.52 -1.06 -3.22 118.94 115.97 1shi s TRP 30 Ca 0.00 -0.66 0.02 0.00 0.02 0.00 0.00 56.10 55.48 1shi s TRP 30 Cb 0.00 -0.99 0.13 0.00 -1.15 0.00 0.00 33.47 31.46 1shi s TRP 30 CO 0.00 0.30 0.21 -1.21 0.02 0.00 0.00 176.95 176.27 1shi s GLU 31 N -3.70 1.29 -0.31 4.98 2.02 -0.12 -4.72 118.70 118.15 1shi s GLU 31 Ca 0.27 -1.94 -0.43 0.00 0.02 0.00 0.00 54.97 52.90 1shi s GLU 31 Cb 0.02 -2.45 -0.18 0.00 0.10 0.00 0.00 34.13 31.63 1shi s GLU 31 CO 0.10 -1.12 1.59 1.17 0.02 0.00 0.00 175.26 177.02 1shi n LYS 32 N 3.72 0.59 -0.01 1.61 4.81 -1.26 -1.78 118.16 125.84 1shi n LYS 32 Ca 0.06 0.21 0.09 0.00 -0.87 0.00 0.00 58.31 57.81 1shi n LYS 32 Cb 0.36 -1.80 -0.15 0.00 0.02 0.00 0.00 35.03 33.46 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 -3.29 1.55 0.17 0.00 0.00 -1.23 -3.83 121.76 115.13 1shi s ALA 34 Ca -0.06 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1shi s ALA 34 Cb 0.12 -0.35 0.11 0.00 0.00 0.00 0.00 23.12 23.00 1shi s ALA 34 CO 0.78 0.36 1.63 0.77 0.00 0.00 0.00 175.76 179.30 1shi h SER 35 N 5.37 -0.74 -1.65 0.00 0.02 -1.92 -3.39 113.55 111.23 1shi h SER 35 Ca -0.39 0.17 -0.20 0.00 -0.84 0.00 0.00 61.79 60.53 1shi h SER 35 Cb 1.15 0.39 -0.28 0.00 0.14 0.00 0.00 62.40 63.81 1shi h SER 35 CO 0.46 -0.25 -0.55 -0.47 -1.14 0.00 0.00 176.83 174.89 1shi s TYR 36 N -6.12 -1.00 0.00 3.45 6.14 -1.26 -4.97 117.35 113.59 1shi s TYR 36 Ca -0.14 0.17 0.00 0.00 0.64 0.00 0.00 57.07 57.73 1shi s TYR 36 Cb 0.15 -0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.39 1shi s TYR 36 CO 0.70 -1.01 0.00 0.98 0.64 0.00 0.00 175.55 176.86 1shi n TYR 37 N 5.10 0.00 -3.87 4.97 9.36 -1.24 -4.80 117.16 126.67 1shi n TYR 37 Ca 0.03 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.01 1shi n TYR 37 Cb 0.50 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.18 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 0.00 1.97 -1.14 2.97 -1.32 -0.22 -4.96 115.64 112.93 1shi s THR 38 Ca 0.00 -1.50 0.20 0.00 -1.21 0.00 0.00 61.69 59.18 1shi s THR 38 Cb 0.00 -2.47 0.23 0.00 -1.51 0.00 0.00 72.50 68.75 1shi s THR 38 CO 0.00 0.00 1.64 -0.38 -2.21 0.00 0.00 174.62 173.67 1shi n ILE 39 N -1.62 0.55 -2.41 5.08 5.41 -1.26 -3.02 119.36 122.09 1shi n ILE 39 Ca -0.01 0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.83 1shi n ILE 39 Cb 0.64 -0.80 0.06 0.00 -0.71 0.00 0.00 39.64 38.82 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 -1.43 1.46 0.00 1.39 0.00 -1.26 -5.07 119.36 114.45 1shi n ILE 40 Ca 0.06 -2.92 0.00 0.00 0.00 0.00 0.00 62.75 59.90 1shi n ILE 40 Cb 0.21 0.42 0.00 0.00 0.00 0.00 0.00 39.64 40.27 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi n ALA 41 N -0.47 0.00 -2.47 1.51 0.00 -1.17 -4.71 120.51 113.20 1shi n ALA 41 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1shi n ALA 41 Cb 0.90 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.23 1shi n ALA 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1shi s ASP 42 N 0.00 2.82 -0.50 0.00 2.15 -1.26 -1.06 116.67 118.82 1shi s ASP 42 Ca 0.00 -0.80 -0.16 0.00 0.43 0.00 0.00 52.55 52.02 1shi s ASP 42 Cb 0.00 -0.17 0.09 0.00 -0.30 0.00 0.00 42.92 42.54 1shi s ASP 42 CO 0.00 0.04 0.46 0.00 -0.17 0.00 0.00 175.17 175.50 1shi s ARG 45 N 0.02 3.34 -0.86 0.00 3.52 -0.73 -1.93 118.95 122.30 1shi s ARG 45 Ca -0.06 -0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 55.06 1shi s ARG 45 Cb -0.15 -3.93 -0.21 0.00 -1.56 0.00 0.00 34.95 29.10 1shi s ARG 45 CO 0.05 -0.99 2.30 1.17 -0.81 0.00 0.00 175.30 177.01 1shi n LYS 46 N 6.30 0.34 -1.14 5.12 4.81 -1.26 -0.95 118.16 131.38 1shi n LYS 46 Ca -0.01 -0.55 0.13 0.00 -0.87 0.00 0.00 58.31 57.01 1shi n LYS 46 Cb 0.48 -2.70 -0.05 0.00 0.02 0.00 0.00 35.03 32.79 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1shi n LYS 47 N 7.55 -2.15 0.00 1.64 5.02 -1.20 -4.91 118.16 124.11 1shi n LYS 47 Ca 0.54 1.58 0.12 0.00 -2.02 0.00 0.00 58.31 58.53 1shi n LYS 47 Cb 0.33 -2.71 0.70 0.00 -0.02 0.00 0.00 35.03 33.33 1shi n LYS 47 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05