#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 -2.05 -1.13 0.00 0.00 -1.26 -3.08 120.51 112.99 1shi n ALA 2 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1shi n ALA 2 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.01 -2.02 0.00 4.81 -1.23 -4.68 118.16 112.03 1shi n LYS 4 Ca 0.00 2.19 -0.31 0.00 -0.87 0.00 0.00 58.31 59.32 1shi n LYS 4 Cb 0.51 -3.63 -0.00 0.00 0.02 0.00 0.00 35.03 31.93 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi h ASP 6 N 0.06 0.00 0.00 0.00 3.58 -1.83 -3.31 116.42 114.92 1shi h ASP 6 Ca -0.45 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.83 1shi h ASP 6 Cb 1.19 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.10 1shi h ASP 6 CO 0.61 0.00 -0.34 -0.90 -2.88 0.00 0.00 179.24 175.74 1shi n ASP 7 N -3.67 -2.35 -0.03 2.28 5.68 -1.26 -4.98 116.55 112.23 1shi n ASP 7 Ca 0.05 -2.80 0.13 0.00 -0.50 0.00 0.00 54.79 51.66 1shi n ASP 7 Cb 0.50 1.46 0.37 0.00 -1.14 0.00 0.00 41.12 42.31 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 1.57 0.12 -3.80 0.11 -0.58 -1.25 -5.00 120.64 111.82 1shi n GLU 8 Ca 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1shi n GLU 8 Cb 0.66 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1shi n GLY 9 N 1.47 -2.37 0.00 0.62 0.00 -1.26 -5.08 105.19 98.57 1shi n GLY 9 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.66 0.00 0.00 1.61 -0.04 -1.26 -4.97 135.00 129.68 1shi n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1shi n PRO 10 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 -0.28 0.00 3.54 8.00 -1.26 -4.94 116.55 121.61 1shi n ASP 11 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1shi n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.00 0.00 0.30 0.53 3.06 -1.26 -4.93 119.36 117.05 1shi n ILE 12 Ca 0.00 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.37 1shi n ILE 12 Cb 0.00 0.00 0.05 0.00 0.54 0.00 0.00 39.64 40.23 1shi n ILE 12 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1shi n ARG 13 N 0.00 0.47 -4.67 9.51 1.85 -1.26 -4.92 116.66 117.64 1shi n ARG 13 Ca 0.00 0.09 -0.32 0.00 -1.00 0.00 0.00 57.85 56.62 1shi n ARG 13 Cb 0.00 -1.75 -0.08 0.00 -1.05 0.00 0.00 32.46 29.58 1shi n ARG 13 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1shi s THR 14 N -3.29 1.34 0.00 8.89 -1.32 -1.26 -5.15 115.64 114.85 1shi s THR 14 Ca 0.02 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.54 1shi s THR 14 Cb 0.11 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1shi s THR 14 CO 0.78 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 173.19 1shi n ALA 15 N -1.25 0.00 1.33 11.08 0.00 -1.26 -4.91 120.51 125.50 1shi n ALA 15 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1shi n ALA 15 Cb 0.67 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.65 1.27 -4.01 0.00 -0.04 -1.26 -4.90 135.00 125.41 1shi n PRO 16 Ca 0.00 -0.28 -0.39 0.00 -0.04 0.00 0.00 63.50 62.79 1shi n PRO 16 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.13 -1.16 -1.30 1.53 4.32 -1.26 -4.78 117.00 114.22 1shi n LEU 17 Ca 0.03 -1.20 -0.02 0.00 -0.02 0.00 0.00 56.01 54.79 1shi n LEU 17 Cb 0.19 -1.86 0.15 0.00 -1.62 0.00 0.00 43.42 40.28 1shi n LEU 17 CO 0.02 0.65 0.66 0.35 -1.22 0.00 0.00 177.39 177.85 1shi n THR 18 N -4.72 1.55 -4.63 -5.08 -2.24 -1.26 -4.66 114.28 93.24 1shi n THR 18 Ca -0.16 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.66 1shi n THR 18 Cb 0.60 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.26 0.81 -0.04 3.38 0.00 -1.23 -3.64 107.32 106.35 1shi s GLY 19 Ca 0.26 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1shi s GLY 19 CO 0.07 -0.67 -0.10 -1.59 0.00 0.00 0.00 173.10 170.81 1shi s THR 20 N -0.53 0.88 -0.29 0.90 2.01 -0.53 -2.02 115.64 116.06 1shi s THR 20 Ca 0.05 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 1shi s THR 20 Cb -0.07 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1shi s THR 20 CO 0.00 0.28 0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 1shi s VAL 21 N 0.43 4.81 -0.23 3.82 1.01 -1.18 -1.51 120.40 127.56 1shi s VAL 21 Ca -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1shi s VAL 21 Cb -0.12 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1shi s VAL 21 CO 0.01 0.19 -0.05 -0.62 0.00 0.00 0.00 175.10 174.64 1shi s ASP 22 N 1.67 4.29 -0.44 3.32 2.15 -1.26 -3.27 116.67 123.12 1shi s ASP 22 Ca 0.06 -0.54 -0.27 0.00 0.43 0.00 0.00 52.55 52.23 1shi s ASP 22 Cb -0.16 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.70 1shi s ASP 22 CO 0.07 -0.06 2.13 -0.76 -0.17 0.00 0.00 175.17 176.39 1shi s LEU 23 N 1.44 3.40 0.00 -1.34 2.01 -1.26 -3.88 118.68 119.05 1shi s LEU 23 Ca 0.04 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.28 1shi s LEU 23 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 46.19 43.17 1shi s LEU 23 CO -0.04 -2.38 0.00 0.61 1.01 0.00 0.00 176.35 175.55 1shi n GLY 24 N 5.78 0.64 3.55 -3.19 0.00 -1.26 -5.10 105.19 105.61 1shi n GLY 24 Ca 0.29 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.30 0.95 1.61 0.15 -1.25 -5.00 113.70 105.86 1shi s SER 25 Ca 0.00 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 1shi s SER 25 Cb 0.00 0.30 0.17 0.00 -1.71 0.00 0.00 66.02 64.77 1shi s SER 25 CO 0.00 -0.45 1.12 0.00 1.20 0.00 0.00 173.24 175.11 1shi s ASN 27 N -2.73 0.89 0.98 0.00 -0.87 -1.26 -5.11 114.94 106.84 1shi s ASN 27 Ca 0.66 -1.47 -0.12 0.00 -1.57 0.00 0.00 52.86 50.36 1shi s ASN 27 Cb -0.23 0.36 0.12 0.00 -0.02 0.00 0.00 41.25 41.48 1shi s ASN 27 CO 0.59 -0.86 0.76 0.00 -2.57 0.00 0.00 177.10 175.03 1shi n ALA 28 N -0.43 -2.00 -0.99 0.60 0.00 -1.26 -2.69 120.51 113.74 1shi n ALA 28 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1shi n ALA 28 Cb 0.65 -1.97 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 0.96 0.45 3.42 0.00 0.00 -1.26 -4.99 105.19 103.76 1shi n GLY 29 Ca 0.08 0.00 -0.21 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 -1.98 1.84 -0.24 1.61 0.52 -1.09 -3.48 118.94 116.11 1shi s TRP 30 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 56.10 55.03 1shi s TRP 30 Cb 0.00 -1.17 0.09 0.00 -1.15 0.00 0.00 33.47 31.24 1shi s TRP 30 CO 0.00 -0.11 0.17 -1.21 0.02 0.00 0.00 176.95 175.82 1shi s GLU 31 N -3.91 0.18 -0.45 4.98 0.41 -0.27 -4.70 118.70 114.95 1shi s GLU 31 Ca 0.36 -0.17 -0.45 0.00 -0.41 0.00 0.00 54.97 54.30 1shi s GLU 31 Cb 0.08 -1.26 -0.19 0.00 -1.78 0.00 0.00 34.13 30.98 1shi s GLU 31 CO 0.15 -0.84 1.67 1.17 -0.49 0.00 0.00 175.26 176.91 1shi n LYS 32 N 5.28 0.30 -0.01 1.61 4.81 -1.26 -0.96 118.16 127.93 1shi n LYS 32 Ca -0.05 0.11 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1shi n LYS 32 Cb 0.46 -1.66 -0.15 0.00 0.02 0.00 0.00 35.03 33.70 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 -3.33 0.13 0.59 0.00 0.00 -1.15 -2.84 121.76 115.15 1shi s ALA 34 Ca -0.02 0.27 0.32 0.00 0.00 0.00 0.00 51.96 52.53 1shi s ALA 34 Cb 0.15 -0.39 1.29 0.00 0.00 0.00 0.00 23.12 24.17 1shi s ALA 34 CO 0.89 -0.25 1.57 0.66 0.00 0.00 0.00 175.76 178.64 1shi h SER 35 N 7.71 0.00 0.00 0.00 4.64 -1.90 -3.42 113.55 120.58 1shi h SER 35 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1shi h SER 35 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1shi h SER 35 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1shi n TYR 36 N -3.60 0.00 0.00 4.77 9.36 -1.26 -5.00 117.16 121.43 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 1.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.05 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 -3.73 2.98 9.36 -1.25 -3.83 117.16 120.69 1shi n TYR 37 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 1shi n TYR 37 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 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 0.13 1.73 -0.94 2.97 -1.32 -0.51 -4.99 115.64 112.71 1shi s THR 38 Ca 0.00 -1.40 0.23 0.00 -1.21 0.00 0.00 61.69 59.31 1shi s THR 38 Cb 0.00 -2.13 0.20 0.00 -1.51 0.00 0.00 72.50 69.05 1shi s THR 38 CO 0.00 0.00 1.72 -0.38 -2.21 0.00 0.00 174.62 173.75 1shi n ILE 39 N -1.86 0.51 -2.57 5.08 -0.00 -1.26 -3.43 119.36 115.83 1shi n ILE 39 Ca 0.02 0.09 0.01 0.00 -0.00 0.00 0.00 62.75 62.87 1shi n ILE 39 Cb 0.64 -0.75 0.04 0.00 -0.00 0.00 0.00 39.64 39.57 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 -1.62 0.80 -3.61 1.39 3.06 -1.26 -5.09 119.36 113.03 1shi n ILE 40 Ca 0.05 -2.12 -0.02 0.00 -2.50 0.00 0.00 62.75 58.16 1shi n ILE 40 Cb 0.27 0.95 -0.02 0.00 0.54 0.00 0.00 39.64 41.38 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1shi s ALA 41 N -2.01 -2.17 0.00 1.51 0.00 -1.22 -4.92 121.76 112.95 1shi s ALA 41 Ca 0.32 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1shi s ALA 41 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1shi s ALA 41 CO -0.10 -0.67 0.00 -3.47 0.00 0.00 0.00 175.76 171.52 1shi n ASP 42 N -0.15 0.30 -3.14 0.00 2.03 -1.26 -1.43 116.55 112.90 1shi n ASP 42 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1shi n ASP 42 Cb 0.59 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1shi s ARG 45 N -4.37 1.43 -0.85 0.00 3.52 -0.14 -1.46 118.95 117.09 1shi s ARG 45 Ca 0.55 -1.37 -0.20 0.00 -0.13 0.00 0.00 55.73 54.58 1shi s ARG 45 Cb -0.10 -2.72 -0.20 0.00 -1.56 0.00 0.00 34.95 30.37 1shi s ARG 45 CO 0.33 -0.81 2.27 1.17 -0.81 0.00 0.00 175.30 177.46 1shi n LYS 46 N 4.53 0.35 -3.22 5.12 4.81 -1.26 -1.11 118.16 127.37 1shi n LYS 46 Ca -0.04 -0.64 -0.09 0.00 -0.87 0.00 0.00 58.31 56.68 1shi n LYS 46 Cb 0.43 -2.85 0.01 0.00 0.02 0.00 0.00 35.03 32.64 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 7.66 -0.89 -0.11 1.64 5.02 -1.23 -4.92 118.16 125.33 1shi n LYS 47 Ca 0.51 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.88 1shi n LYS 47 Cb 0.35 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51