#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 -2.36 -3.61 0.00 0.00 -1.26 -1.45 120.51 111.83 1shi n ALA 2 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 1shi n ALA 2 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.35 -0.71 -4.37 0.00 5.02 -1.26 0.30 118.16 116.78 1shi n LYS 4 Ca -0.08 -0.81 -0.21 0.00 -2.02 0.00 0.00 58.31 55.19 1shi n LYS 4 Cb 0.62 -0.57 -0.09 0.00 -0.02 0.00 0.00 35.03 34.97 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 -1.22 0.42 -0.00 0.00 2.03 -1.11 -3.18 116.55 113.49 1shi n ASP 6 Ca 0.01 -1.33 0.07 0.00 0.52 0.00 0.00 54.79 54.06 1shi n ASP 6 Cb 0.64 -0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.58 1.03 -1.89 1.67 5.68 -1.26 -4.43 116.55 116.76 1shi n ASP 7 Ca 0.18 -0.53 -0.18 0.00 -0.50 0.00 0.00 54.79 53.76 1shi n ASP 7 Cb 0.15 1.25 0.07 0.00 -1.14 0.00 0.00 41.12 41.45 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1shi n GLU 8 N -1.58 1.89 -1.08 0.11 1.02 -1.19 -5.00 120.64 114.81 1shi n GLU 8 Ca 0.01 -1.86 0.14 0.00 -0.02 0.00 0.00 57.16 55.43 1shi n GLU 8 Cb 0.28 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1shi n GLY 9 N -0.12 -2.22 0.14 0.62 0.00 -1.26 -4.57 105.19 97.79 1shi n GLY 9 Ca 0.36 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.02 0.48 -6.45 1.61 0.13 -1.92 -3.46 132.00 121.37 1shi h PRO 10 Ca -0.03 -0.82 -0.59 0.00 -0.87 0.00 0.00 66.00 63.69 1shi h PRO 10 Cb 1.00 0.31 0.17 0.00 0.13 0.00 0.00 31.00 32.60 1shi h PRO 10 CO 0.03 1.39 -0.41 -0.25 -0.23 0.00 0.00 178.00 178.52 1shi n ASP 11 N -3.67 -1.07 -0.00 1.44 8.00 -1.26 -4.90 116.55 115.09 1shi n ASP 11 Ca -0.16 0.77 0.02 0.00 0.71 0.00 0.00 54.79 56.13 1shi n ASP 11 Cb 1.09 -1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1shi n ASP 11 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1shi n ILE 12 N -1.50 0.00 1.44 0.53 -6.64 -1.26 -4.49 119.36 107.44 1shi n ILE 12 Ca 0.11 -0.33 0.14 0.00 -1.77 0.00 0.00 62.75 60.90 1shi n ILE 12 Cb 0.46 0.85 0.49 0.00 -1.44 0.00 0.00 39.64 40.00 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1shi n ARG 13 N -1.23 1.53 -3.75 6.28 1.74 -1.26 -4.55 116.66 115.43 1shi n ARG 13 Ca 0.00 -0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 55.89 1shi n ARG 13 Cb 0.07 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 1shi n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1shi s THR 14 N -2.09 1.69 0.00 0.55 2.01 -1.26 -5.06 115.64 111.48 1shi s THR 14 Ca 0.35 -2.91 0.00 0.00 0.31 0.00 0.00 61.69 59.44 1shi s THR 14 Cb 0.21 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1shi s THR 14 CO 0.37 -0.92 0.00 0.00 -0.69 0.00 0.00 174.62 173.37 1shi n ALA 15 N 3.21 0.00 0.95 7.40 0.00 -1.26 -4.94 120.51 125.87 1shi n ALA 15 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1shi n ALA 15 Cb 0.35 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.28 1.46 -3.77 0.00 -0.04 -1.26 -4.90 135.00 126.21 1shi n PRO 16 Ca 0.00 -0.41 -0.30 0.00 -0.04 0.00 0.00 63.50 62.76 1shi n PRO 16 Cb 0.00 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.14 -0.29 1.53 7.99 -1.26 -4.79 117.00 118.06 1shi n LEU 17 Ca 0.04 -0.98 0.07 0.00 -0.01 0.00 0.00 56.01 55.12 1shi n LEU 17 Cb 0.31 -1.96 0.28 0.00 -0.11 0.00 0.00 43.42 41.95 1shi n LEU 17 CO 0.04 0.36 0.70 0.35 -1.51 0.00 0.00 177.39 177.33 1shi n THR 18 N -3.53 0.16 -2.60 -5.08 -2.24 -1.25 -4.55 114.28 95.18 1shi n THR 18 Ca -0.18 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 1shi n THR 18 Cb 0.62 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.30 1.52 -0.15 3.38 0.00 0.15 -4.53 107.32 106.39 1shi s GLY 19 Ca 0.21 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 1shi s GLY 19 CO 0.16 -0.38 0.16 -1.59 0.00 0.00 0.00 173.10 171.46 1shi s THR 20 N -2.78 -0.24 -0.17 0.90 2.01 0.13 -2.39 115.64 113.10 1shi s THR 20 Ca 0.49 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1shi s THR 20 Cb -0.10 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1shi s THR 20 CO 0.45 -0.08 1.02 -0.69 -0.69 0.00 0.00 174.62 174.62 1shi s VAL 21 N 2.27 4.73 -0.18 3.82 1.01 -0.53 -1.50 120.40 130.01 1shi s VAL 21 Ca 0.04 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 64.01 1shi s VAL 21 Cb -0.14 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1shi s VAL 21 CO -0.09 -0.09 -0.00 -1.81 0.00 0.00 0.00 175.10 173.11 1shi s ASP 22 N 1.15 4.91 -0.09 3.32 1.01 -1.26 -3.36 116.67 122.34 1shi s ASP 22 Ca 0.46 -0.15 -0.30 0.00 0.71 0.00 0.00 52.55 53.28 1shi s ASP 22 Cb -0.17 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 1shi s ASP 22 CO 0.12 0.11 1.49 -0.76 0.21 0.00 0.00 175.17 176.33 1shi s LEU 23 N 0.74 4.27 0.00 1.23 2.01 -1.26 -3.82 118.68 121.85 1shi s LEU 23 Ca -0.00 2.02 0.00 0.00 0.01 0.00 0.00 54.13 56.16 1shi s LEU 23 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1shi s LEU 23 CO 0.02 -0.85 0.00 0.61 1.01 0.00 0.00 176.35 177.14 1shi n GLY 24 N 3.90 2.21 3.59 -3.19 0.00 -1.26 -4.99 105.19 105.45 1shi n GLY 24 Ca 0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 1shi n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1shi s SER 25 N -2.34 -0.15 0.87 1.61 0.01 -1.25 -5.02 113.70 107.44 1shi s SER 25 Ca 0.00 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.22 1shi s SER 25 Cb 0.00 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.46 1shi s SER 25 CO 0.00 -0.26 0.16 0.00 0.41 0.00 0.00 173.24 173.56 1shi s ASN 27 N -1.96 -0.36 0.74 0.00 -0.87 -1.26 -5.12 114.94 106.11 1shi s ASN 27 Ca 0.13 -0.32 -0.16 0.00 -1.57 0.00 0.00 52.86 50.94 1shi s ASN 27 Cb -0.02 0.62 -0.02 0.00 -0.02 0.00 0.00 41.25 41.82 1shi s ASN 27 CO 0.11 -1.10 0.67 0.00 -2.57 0.00 0.00 177.10 174.21 1shi n ALA 28 N -0.42 -1.18 -0.89 0.60 0.00 -1.26 -2.38 120.51 114.99 1shi n ALA 28 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1shi n ALA 28 Cb 0.61 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.43 0.63 3.31 0.00 0.00 -1.26 -5.02 105.19 104.28 1shi n GLY 29 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.33 1.48 -0.24 1.61 0.52 -1.00 -3.74 118.94 115.23 1shi s TRP 30 Ca 0.00 -1.03 -0.04 0.00 0.02 0.00 0.00 56.10 55.05 1shi s TRP 30 Cb 0.00 -0.86 0.09 0.00 -1.15 0.00 0.00 33.47 31.55 1shi s TRP 30 CO 0.00 -0.18 0.14 -2.00 0.02 0.00 0.00 176.95 174.93 1shi s GLU 31 N -3.93 0.15 -0.05 4.98 2.12 -0.33 -4.67 118.70 116.97 1shi s GLU 31 Ca 0.30 -0.27 -0.40 0.00 0.36 0.00 0.00 54.97 54.97 1shi s GLU 31 Cb 0.07 -1.36 -0.19 0.00 0.26 0.00 0.00 34.13 32.91 1shi s GLU 31 CO 0.09 -0.86 1.27 1.17 -0.54 0.00 0.00 175.26 176.39 1shi n LYS 32 N 5.27 0.48 0.00 4.30 4.81 -1.26 -1.69 118.16 130.07 1shi n LYS 32 Ca -0.06 0.17 0.03 0.00 -0.87 0.00 0.00 58.31 57.59 1shi n LYS 32 Cb 0.46 -1.74 -0.02 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.44 0.34 0.59 0.00 0.00 -1.23 -2.77 121.76 117.24 1shi s ALA 34 Ca 0.04 0.13 0.33 0.00 0.00 0.00 0.00 51.96 52.45 1shi s ALA 34 Cb 0.06 -0.53 1.28 0.00 0.00 0.00 0.00 23.12 23.93 1shi s ALA 34 CO 0.25 -0.33 1.57 1.03 0.00 0.00 0.00 175.76 178.27 1shi h SER 35 N 7.97 0.00 0.00 0.00 0.87 -1.92 -3.43 113.55 117.04 1shi h SER 35 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 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 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 1shi n TYR 36 N -3.60 0.00 0.00 2.24 9.36 -1.26 -5.02 117.16 118.88 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 1.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.07 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 -3.99 117.16 120.69 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 0.10 1.81 -0.95 2.97 -1.32 -0.76 -4.99 115.64 112.50 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 0.21 0.00 -1.51 0.00 0.00 72.50 69.08 1shi s THR 38 CO 0.00 0.00 1.77 -0.38 -2.21 0.00 0.00 174.62 173.80 1shi n ILE 39 N -1.95 0.38 -2.70 5.08 2.08 -1.26 -3.53 119.36 117.46 1shi n ILE 39 Ca 0.05 0.05 -0.01 0.00 0.56 0.00 0.00 62.75 63.40 1shi n ILE 39 Cb 0.63 -0.68 0.05 0.00 -0.75 0.00 0.00 39.64 38.89 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi n ILE 40 N -1.61 1.16 0.00 1.39 0.00 -1.26 -5.09 119.36 113.94 1shi n ILE 40 Ca 0.06 -2.69 0.00 0.00 0.00 0.00 0.00 62.75 60.12 1shi n ILE 40 Cb 0.30 1.05 0.00 0.00 0.00 0.00 0.00 39.64 40.99 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 -0.43 0.00 -2.83 1.51 0.00 -1.23 -4.93 120.51 112.60 1shi n ALA 41 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1shi n ALA 41 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1shi n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1shi n ASP 42 N 0.00 0.00 -3.10 0.00 -0.08 -1.26 -1.82 116.55 110.29 1shi n ASP 42 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1shi n ASP 42 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1shi s ARG 45 N -3.11 2.94 -0.86 0.00 3.52 -0.68 -0.69 118.95 120.06 1shi s ARG 45 Ca 0.35 -0.93 -0.20 0.00 -0.13 0.00 0.00 55.73 54.83 1shi s ARG 45 Cb -0.11 -3.11 -0.21 0.00 -1.56 0.00 0.00 34.95 29.96 1shi s ARG 45 CO 0.28 -0.40 2.30 1.17 -0.81 0.00 0.00 175.30 177.84 1shi n LYS 46 N 4.73 0.34 -3.07 5.12 4.81 -1.26 -1.19 118.16 127.64 1shi n LYS 46 Ca -0.16 -0.56 -0.00 0.00 -0.87 0.00 0.00 58.31 56.72 1shi n LYS 46 Cb 0.47 -2.71 -0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 7.56 -1.13 -0.10 1.64 5.02 -1.25 -4.90 118.16 125.00 1shi n LYS 47 Ca 0.54 1.27 0.00 0.00 -2.02 0.00 0.00 58.31 58.10 1shi n LYS 47 Cb 0.33 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51