#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 -5.09 -1.75 0.00 0.00 -1.26 -3.08 120.51 109.33 1shi n ALA 2 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1shi n ALA 2 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.54 -4.50 0.00 5.02 -1.26 -4.61 118.16 110.27 1shi n LYS 4 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1shi n LYS 4 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 -0.71 0.30 -0.78 0.00 2.03 -1.23 -3.30 116.55 112.86 1shi n ASP 6 Ca -0.05 -1.74 0.02 0.00 0.52 0.00 0.00 54.79 53.54 1shi n ASP 6 Cb 0.64 -0.03 0.02 0.00 -0.72 0.00 0.00 41.12 41.03 1shi n ASP 6 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1shi n ASP 7 N -0.46 0.50 -0.30 1.67 5.68 -1.26 -4.88 116.55 117.50 1shi n ASP 7 Ca 0.08 -2.12 0.11 0.00 -0.50 0.00 0.00 54.79 52.36 1shi n ASP 7 Cb 0.08 -0.25 0.25 0.00 -1.14 0.00 0.00 41.12 40.06 1shi n ASP 7 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1shi h GLU 8 N 0.33 0.13 0.00 0.11 4.39 -1.96 -3.47 114.58 114.11 1shi h GLU 8 Ca -0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1shi h GLU 8 Cb 1.52 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1shi h GLU 8 CO 0.03 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.37 1shi n GLY 9 N -1.42 0.70 0.07 -3.84 0.00 -1.26 -4.74 105.19 94.70 1shi n GLY 9 Ca 0.20 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 6.89 0.00 -7.20 1.61 0.13 -2.02 -3.47 132.00 127.95 1shi h PRO 10 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1shi h PRO 10 Cb 0.00 0.00 0.20 0.00 0.13 0.00 0.00 31.00 31.33 1shi h PRO 10 CO 0.00 0.92 0.04 -0.51 -0.23 0.00 0.00 178.00 178.22 1shi s ASP 11 N -6.20 1.06 -0.01 1.44 1.11 -1.26 -4.98 116.67 107.83 1shi s ASP 11 Ca -0.18 1.29 0.04 0.00 0.18 0.00 0.00 52.55 53.88 1shi s ASP 11 Cb -0.02 -1.99 -0.06 0.00 1.07 0.00 0.00 42.92 41.91 1shi s ASP 11 CO 0.63 -4.12 0.08 0.00 1.18 0.00 0.00 175.17 172.94 1shi n ILE 12 N -4.84 0.03 1.21 0.77 0.00 -1.26 -4.51 119.36 110.76 1shi n ILE 12 Ca 0.05 -0.11 0.14 0.00 0.00 0.00 0.00 62.75 62.83 1shi n ILE 12 Cb 0.56 0.24 0.58 0.00 0.00 0.00 0.00 39.64 41.02 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 -1.71 0.30 -0.02 9.51 1.74 -1.26 -3.45 116.66 121.77 1shi n ARG 13 Ca -0.02 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 1shi n ARG 13 Cb 0.18 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 1shi n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shi h THR 14 N 0.18 0.86 -0.53 0.55 1.03 -1.97 -3.45 112.91 109.58 1shi h THR 14 Ca 0.00 -2.71 -0.60 0.00 -0.01 0.00 0.00 66.41 63.09 1shi h THR 14 Cb 0.42 2.43 -0.04 0.00 -1.07 0.00 0.00 68.15 69.88 1shi h THR 14 CO 0.00 0.50 1.56 0.00 -0.01 0.00 0.00 175.52 177.56 1shi n ALA 15 N -2.56 0.56 0.78 0.00 0.00 -1.22 -4.72 120.51 113.34 1shi n ALA 15 Ca -0.17 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1shi n ALA 15 Cb 1.05 -2.45 0.05 0.00 0.00 0.00 0.00 19.45 18.10 1shi n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1shi n PRO 16 N 8.28 1.43 -3.90 0.00 -0.04 -1.26 -4.88 135.00 134.63 1shi n PRO 16 Ca 0.53 -0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 1shi n PRO 16 Cb 0.15 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.09 -1.36 -0.71 1.53 4.32 -1.26 -4.79 117.00 114.82 1shi n LEU 17 Ca 0.04 -1.17 0.03 0.00 -0.02 0.00 0.00 56.01 54.89 1shi n LEU 17 Cb 0.38 -1.94 0.13 0.00 -1.62 0.00 0.00 43.42 40.37 1shi n LEU 17 CO 0.04 0.66 0.54 1.07 -1.22 0.00 0.00 177.39 178.48 1shi n THR 18 N -4.63 0.62 -3.69 -5.08 5.66 -1.26 -4.62 114.28 101.28 1shi n THR 18 Ca -0.11 -0.41 -0.23 0.00 -3.05 0.00 0.00 64.05 60.25 1shi n THR 18 Cb 0.58 -0.08 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 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 -0.68 2.21 0.14 1.09 0.00 -1.22 -4.39 107.32 104.47 1shi s GLY 19 Ca 0.18 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 1shi s GLY 19 CO 0.09 -1.80 0.33 -1.59 0.00 0.00 0.00 173.10 170.13 1shi s THR 20 N -2.60 0.08 -0.04 0.90 2.01 0.74 -3.39 115.64 113.34 1shi s THR 20 Ca 0.44 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1shi s THR 20 Cb -0.02 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1shi s THR 20 CO 0.26 -0.35 0.16 -0.69 -0.69 0.00 0.00 174.62 173.31 1shi s VAL 21 N -3.89 5.39 -0.40 3.82 1.01 -1.18 -1.42 120.40 123.74 1shi s VAL 21 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1shi s VAL 21 Cb 0.03 -3.47 0.16 0.00 0.00 0.00 0.00 36.38 33.09 1shi s VAL 21 CO -0.05 0.40 0.29 -1.81 0.00 0.00 0.00 175.10 173.93 1shi s ASP 22 N -1.70 2.15 -0.01 3.32 1.11 -1.19 -4.71 116.67 115.65 1shi s ASP 22 Ca 0.24 -2.75 -0.39 0.00 0.18 0.00 0.00 52.55 49.83 1shi s ASP 22 Cb -0.12 -0.47 -0.18 0.00 1.07 0.00 0.00 42.92 43.21 1shi s ASP 22 CO 0.15 -0.22 1.31 0.18 1.18 0.00 0.00 175.17 177.76 1shi n LEU 23 N 3.28 1.18 0.00 1.23 7.99 -1.26 -3.11 117.00 126.32 1shi n LEU 23 Ca 0.22 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.35 1shi n LEU 23 Cb 0.43 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.66 1shi n LEU 23 CO 0.11 -1.25 0.00 0.61 -1.51 0.00 0.00 177.39 175.36 1shi n GLY 24 N 2.44 0.58 3.60 -0.72 0.00 -1.26 -4.91 105.19 104.91 1shi n GLY 24 Ca 0.20 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.72 1.16 1.61 0.15 -1.18 -4.97 113.70 105.75 1shi s SER 25 Ca 0.00 1.27 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 1shi s SER 25 Cb 0.00 1.25 0.23 0.00 -1.71 0.00 0.00 66.02 65.79 1shi s SER 25 CO 0.00 -0.33 0.47 0.00 1.20 0.00 0.00 173.24 174.58 1shi s ASN 27 N -2.27 3.68 0.06 0.00 -0.87 -1.26 -5.09 114.94 109.18 1shi s ASN 27 Ca 0.49 -1.71 -0.31 0.00 -1.57 0.00 0.00 52.86 49.76 1shi s ASN 27 Cb -0.10 0.63 -0.05 0.00 -0.02 0.00 0.00 41.25 41.71 1shi s ASN 27 CO 0.46 -0.94 1.19 0.00 -2.57 0.00 0.00 177.10 175.24 1shi s ALA 28 N -3.01 3.39 0.00 0.60 0.00 -1.26 -3.14 121.76 118.34 1shi s ALA 28 Ca 0.09 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1shi s ALA 28 Cb 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1shi s ALA 28 CO 0.06 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1shi n GLY 29 N 3.21 1.17 3.88 0.00 0.00 -1.26 -5.09 105.19 107.10 1shi n GLY 29 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.02 3.47 -0.74 1.61 0.52 -1.19 -3.17 118.94 117.42 1shi s TRP 30 Ca 0.00 0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.29 1shi s TRP 30 Cb 0.00 -1.77 0.19 0.00 -1.15 0.00 0.00 33.47 30.75 1shi s TRP 30 CO 0.00 0.60 0.63 -1.21 0.02 0.00 0.00 176.95 176.98 1shi s GLU 31 N -2.21 3.15 -0.34 4.98 2.02 -0.62 -4.88 118.70 120.81 1shi s GLU 31 Ca 0.30 -2.49 -0.43 0.00 0.02 0.00 0.00 54.97 52.38 1shi s GLU 31 Cb -0.13 -4.13 -0.18 0.00 0.10 0.00 0.00 34.13 29.80 1shi s GLU 31 CO 0.23 -1.24 1.62 1.17 0.02 0.00 0.00 175.26 177.06 1shi n LYS 32 N 3.77 0.60 -0.10 1.61 4.81 -1.26 -1.79 118.16 125.79 1shi n LYS 32 Ca 0.11 0.22 -0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1shi n LYS 32 Cb 0.43 -1.81 -0.13 0.00 0.02 0.00 0.00 35.03 33.53 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 -2.44 1.18 0.00 0.00 0.00 -1.11 -3.57 121.76 115.81 1shi s ALA 34 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1shi s ALA 34 Cb 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1shi s ALA 34 CO 0.69 -0.78 0.84 0.43 0.00 0.00 0.00 175.76 176.94 1shi n SER 35 N 4.98 0.00 -4.95 0.00 7.64 -1.26 -3.87 113.62 116.16 1shi n SER 35 Ca -0.10 0.84 -0.23 0.00 1.01 0.00 0.00 58.87 60.38 1shi n SER 35 Cb 0.48 -0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 1shi n SER 35 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1shi s TYR 36 N -2.35 2.89 0.00 1.43 5.04 -1.26 -4.60 117.35 118.50 1shi s TYR 36 Ca 0.00 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1shi s TYR 36 Cb 0.00 -2.96 0.00 0.00 0.35 0.00 0.00 41.96 39.35 1shi s TYR 36 CO 0.00 -1.12 0.00 0.98 -1.34 0.00 0.00 175.55 174.07 1shi n TYR 37 N -2.61 0.00 -1.95 4.97 9.36 -1.24 -4.65 117.16 121.03 1shi n TYR 37 Ca 0.08 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.10 1shi n TYR 37 Cb 0.60 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.44 1shi n TYR 37 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1shi n THR 38 N 0.00 0.00 -0.32 2.97 -1.04 -1.23 -4.90 114.28 109.76 1shi n THR 38 Ca 0.00 -0.85 0.18 0.00 -2.04 0.00 0.00 64.05 61.34 1shi n THR 38 Cb 0.00 -1.44 0.37 0.00 -1.82 0.00 0.00 70.33 67.45 1shi n THR 38 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1shi h ILE 39 N -1.21 0.22 0.00 12.58 5.03 -2.04 -3.19 117.51 128.91 1shi h ILE 39 Ca -0.28 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1shi h ILE 39 Cb 0.86 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1shi h ILE 39 CO 0.23 0.03 -0.16 0.00 -0.68 0.00 0.00 178.15 177.57 1shi n ILE 40 N -5.23 0.00 -2.76 -0.67 0.00 -1.26 -5.11 119.36 104.32 1shi n ILE 40 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 62.75 62.79 1shi n ILE 40 Cb 0.85 0.41 0.10 0.00 0.00 0.00 0.00 39.64 41.00 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 0.00 4.10 0.08 1.51 0.00 -1.21 -4.52 121.76 121.72 1shi s ALA 41 Ca 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.02 1shi s ALA 41 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1shi s ALA 41 CO 0.00 -1.30 -0.06 -0.51 0.00 0.00 0.00 175.76 173.90 1shi s ASP 42 N -4.74 0.94 -0.50 0.00 1.11 -1.26 -3.53 116.67 108.68 1shi s ASP 42 Ca 0.65 -0.99 0.03 0.00 0.18 0.00 0.00 52.55 52.43 1shi s ASP 42 Cb -0.05 0.12 0.13 0.00 1.07 0.00 0.00 42.92 44.19 1shi s ASP 42 CO 0.43 -0.50 0.25 0.00 1.18 0.00 0.00 175.17 176.53 1shi s ARG 45 N -1.88 2.60 1.00 0.00 3.00 -0.74 -0.19 118.95 122.74 1shi s ARG 45 Ca 0.26 -2.01 -0.17 0.00 -1.00 0.00 0.00 55.73 52.80 1shi s ARG 45 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 34.95 30.85 1shi s ARG 45 CO 0.17 -1.19 -0.37 0.36 0.00 0.00 0.00 175.30 174.26 1shi n LYS 46 N 4.48 -0.37 -2.85 5.12 2.85 -1.26 -1.58 118.16 124.54 1shi n LYS 46 Ca -0.02 -0.09 -0.44 0.00 -1.05 0.00 0.00 58.31 56.71 1shi n LYS 46 Cb 0.41 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1shi n LYS 47 N 0.29 3.45 0.00 -1.58 5.02 -1.19 -4.66 118.16 119.49 1shi n LYS 47 Ca 0.01 -3.83 0.00 0.00 -2.02 0.00 0.00 58.31 52.48 1shi n LYS 47 Cb 0.59 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51