#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 -3.52 0.00 0.00 0.00 -1.26 -0.39 120.51 115.35 1shi n ALA 2 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1shi n ALA 2 Cb 0.00 -1.40 0.00 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 n LYS 4 N -0.49 -2.53 -1.44 0.00 4.81 -1.21 -4.78 118.16 112.53 1shi n LYS 4 Ca 0.00 1.93 -0.43 0.00 -0.87 0.00 0.00 58.31 58.93 1shi n LYS 4 Cb 0.00 -1.97 -0.01 0.00 0.02 0.00 0.00 35.03 33.07 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 0.95 0.00 -1.35 0.00 3.58 -1.88 -3.11 116.42 114.60 1shi h ASP 6 Ca -0.37 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.65 1shi h ASP 6 Cb 1.41 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 42.14 1shi h ASP 6 CO 0.53 0.00 -0.93 -0.67 -2.88 0.00 0.00 179.24 175.30 1shi n ASP 7 N -2.90 -0.59 -0.64 2.28 -0.08 -1.26 -4.91 116.55 108.45 1shi n ASP 7 Ca -0.02 -3.02 0.04 0.00 -1.51 0.00 0.00 54.79 50.28 1shi n ASP 7 Cb 0.21 0.18 0.07 0.00 2.34 0.00 0.00 41.12 43.92 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1shi n GLU 8 N 1.05 0.57 0.00 -0.67 -0.58 -1.18 -5.09 120.64 114.74 1shi n GLU 8 Ca 0.18 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.93 1shi n GLU 8 Cb 0.60 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 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 -0.42 3.65 0.00 0.62 0.00 -1.26 -4.78 105.19 103.00 1shi n GLY 9 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.71 0.00 -2.51 1.61 -0.04 -1.26 -4.97 135.00 126.12 1shi n PRO 10 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1shi n PRO 10 Cb 0.00 -0.43 0.05 0.00 -0.04 0.00 0.00 33.50 33.08 1shi n PRO 10 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1shi s ASP 11 N -1.00 5.15 -0.08 3.54 1.47 -1.26 -4.97 116.67 119.52 1shi s ASP 11 Ca 0.00 0.14 0.08 0.00 1.18 0.00 0.00 52.55 53.96 1shi s ASP 11 Cb 0.00 -0.97 0.38 0.00 -0.34 0.00 0.00 42.92 42.00 1shi s ASP 11 CO 0.00 -1.27 1.16 0.00 0.68 0.00 0.00 175.17 175.74 1shi n ILE 12 N -2.52 1.11 0.06 2.11 3.06 -1.26 -3.80 119.36 118.12 1shi n ILE 12 Ca 0.08 -0.63 0.04 0.00 -2.50 0.00 0.00 62.75 59.74 1shi n ILE 12 Cb 0.60 -0.21 -0.05 0.00 0.54 0.00 0.00 39.64 40.52 1shi n ILE 12 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1shi n ARG 13 N 0.38 0.62 -1.93 9.51 5.12 -1.26 -4.21 116.66 124.89 1shi n ARG 13 Ca 0.13 0.19 -0.09 0.00 -1.93 0.00 0.00 57.85 56.15 1shi n ARG 13 Cb 0.60 -1.81 0.06 0.00 -1.16 0.00 0.00 32.46 30.15 1shi n ARG 13 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1shi n THR 14 N -2.81 1.86 -4.57 0.55 5.66 -1.25 -5.05 114.28 108.68 1shi n THR 14 Ca -0.06 -3.35 -0.29 0.00 -3.05 0.00 0.00 64.05 57.30 1shi n THR 14 Cb 0.74 -0.09 -0.14 0.00 -1.55 0.00 0.00 70.33 69.29 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shi s ALA 15 N -3.21 2.24 -1.06 1.79 0.00 -1.26 -4.96 121.76 115.30 1shi s ALA 15 Ca 0.40 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1shi s ALA 15 Cb 0.38 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.20 1shi s ALA 15 CO -0.02 0.51 0.72 -0.35 0.00 0.00 0.00 175.76 176.62 1shi n PRO 16 N 1.28 1.46 -3.87 0.00 -0.04 -1.26 -4.89 135.00 127.68 1shi n PRO 16 Ca -0.18 -0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 62.51 1shi n PRO 16 Cb 0.53 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.57 -1.04 1.53 4.32 -1.26 -4.79 117.00 114.23 1shi n LEU 17 Ca 0.04 -1.12 0.03 0.00 -0.02 0.00 0.00 56.01 54.93 1shi n LEU 17 Cb 0.33 -1.95 0.17 0.00 -1.62 0.00 0.00 43.42 40.35 1shi n LEU 17 CO 0.04 0.58 0.52 0.35 -1.22 0.00 0.00 177.39 177.66 1shi n THR 18 N -4.34 1.09 -4.84 -5.08 -2.24 -1.26 -4.75 114.28 92.85 1shi n THR 18 Ca -0.13 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1shi n THR 18 Cb 0.59 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.38 1.51 0.06 3.38 0.00 -1.26 -4.07 107.32 106.56 1shi s GLY 19 Ca 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1shi s GLY 19 CO 0.07 -0.22 -0.09 -1.59 0.00 0.00 0.00 173.10 171.27 1shi s THR 20 N 0.33 0.68 -0.14 0.90 2.01 -0.66 -1.75 115.64 117.02 1shi s THR 20 Ca -0.12 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.67 1shi s THR 20 Cb -0.16 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 1shi s THR 20 CO 0.06 -0.40 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.75 1shi s VAL 21 N -1.59 2.82 -0.38 3.82 1.01 0.48 -1.99 120.40 124.58 1shi s VAL 21 Ca -0.06 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1shi s VAL 21 Cb -0.08 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.19 1shi s VAL 21 CO 0.00 0.52 0.17 -1.81 0.00 0.00 0.00 175.10 173.98 1shi s ASP 22 N 0.51 5.39 -0.32 3.32 1.01 -1.26 -2.44 116.67 122.87 1shi s ASP 22 Ca -0.10 -1.43 -0.38 0.00 0.71 0.00 0.00 52.55 51.35 1shi s ASP 22 Cb -0.16 -1.89 -0.14 0.00 1.01 0.00 0.00 42.92 41.74 1shi s ASP 22 CO 0.04 -0.43 1.97 0.18 0.21 0.00 0.00 175.17 177.14 1shi n LEU 23 N 4.80 2.18 0.00 1.23 7.99 -1.26 -2.70 117.00 129.24 1shi n LEU 23 Ca -0.10 0.76 0.00 0.00 -0.01 0.00 0.00 56.01 56.66 1shi n LEU 23 Cb 0.43 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 1shi n LEU 23 CO 0.34 -0.56 0.00 0.61 -1.51 0.00 0.00 177.39 176.27 1shi n GLY 24 N 5.50 2.15 0.00 -0.72 0.00 -1.26 -5.04 105.19 105.82 1shi n GLY 24 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1shi n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1shi n SER 25 N 0.00 0.00 -4.14 1.61 3.41 -1.10 -4.99 113.62 108.42 1shi n SER 25 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1shi n SER 25 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shi n ASN 27 N 1.76 0.08 -4.77 0.00 3.02 -1.26 -5.08 115.26 109.01 1shi n ASN 27 Ca 0.01 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.21 1shi n ASN 27 Cb 0.59 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.75 1shi n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1shi s ALA 28 N -2.00 3.21 0.00 5.41 0.00 -1.26 -2.70 121.76 124.42 1shi s ALA 28 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1shi s ALA 28 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1shi s ALA 28 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1shi n GLY 29 N 0.67 0.61 2.81 0.00 0.00 -1.26 -5.02 105.19 103.00 1shi n GLY 29 Ca 0.04 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 1.05 -0.39 1.61 0.52 -1.10 -0.32 118.94 118.31 1shi s TRP 30 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 56.10 55.45 1shi s TRP 30 Cb 0.00 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1shi s TRP 30 CO 0.00 -0.45 0.32 -1.21 0.02 0.00 0.00 176.95 175.63 1shi s GLU 31 N 1.85 3.13 -0.22 4.98 0.41 -0.67 -4.69 118.70 123.49 1shi s GLU 31 Ca 0.04 -0.86 -0.41 0.00 -0.41 0.00 0.00 54.97 53.32 1shi s GLU 31 Cb -0.13 -3.93 -0.17 0.00 -1.78 0.00 0.00 34.13 28.11 1shi s GLU 31 CO -0.07 -0.69 1.54 1.17 -0.49 0.00 0.00 175.26 176.72 1shi n LYS 32 N 5.24 0.74 -0.00 1.61 4.81 -1.26 -1.80 118.16 127.49 1shi n LYS 32 Ca -0.11 0.27 0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1shi n LYS 32 Cb 0.48 -1.88 -0.10 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.70 0.49 0.61 0.00 0.00 -1.09 -3.49 121.76 115.58 1shi s ALA 34 Ca 0.04 0.01 0.26 0.00 0.00 0.00 0.00 51.96 52.27 1shi s ALA 34 Cb 0.13 -0.32 1.20 0.00 0.00 0.00 0.00 23.12 24.12 1shi s ALA 34 CO 0.70 -0.01 1.63 1.03 0.00 0.00 0.00 175.76 179.11 1shi h SER 35 N 7.00 0.00 0.00 0.00 0.87 -1.91 -3.40 113.55 116.11 1shi h SER 35 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1shi h SER 35 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1shi h SER 35 CO 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.78 1shi n TYR 36 N -3.34 0.00 0.00 2.24 9.36 -1.26 -4.96 117.16 119.20 1shi n TYR 36 Ca 0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1shi n TYR 36 Cb 0.95 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.66 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 -3.60 2.98 9.36 -1.25 -2.26 117.16 122.39 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 0.00 1.81 -1.04 2.97 -1.32 -0.53 -4.99 115.64 112.54 1shi s THR 38 Ca 0.00 -1.32 0.23 0.00 -1.21 0.00 0.00 61.69 59.39 1shi s THR 38 Cb 0.00 -2.13 0.22 0.00 -1.51 0.00 0.00 72.50 69.07 1shi s THR 38 CO 0.00 0.00 1.76 -0.38 -2.21 0.00 0.00 174.62 173.79 1shi n ILE 39 N -1.93 0.37 -2.66 5.08 5.41 -1.26 -3.45 119.36 120.91 1shi n ILE 39 Ca 0.04 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1shi n ILE 39 Cb 0.63 -0.69 0.04 0.00 -0.71 0.00 0.00 39.64 38.92 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 -1.48 0.94 -3.63 1.39 0.00 -1.26 -5.09 119.36 110.22 1shi n ILE 40 Ca 0.06 -2.36 -0.02 0.00 0.00 0.00 0.00 62.75 60.43 1shi n ILE 40 Cb 0.27 1.06 -0.02 0.00 0.00 0.00 0.00 39.64 40.95 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 -2.55 -2.23 0.45 1.51 0.00 -1.22 -4.74 121.76 112.98 1shi s ALA 41 Ca 0.31 1.80 0.06 0.00 0.00 0.00 0.00 51.96 54.12 1shi s ALA 41 Cb 0.35 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1shi s ALA 41 CO -0.08 -0.60 0.10 -0.51 0.00 0.00 0.00 175.76 174.67 1shi s ASP 42 N -2.13 4.19 -0.35 0.00 1.01 -1.26 -1.45 116.67 116.67 1shi s ASP 42 Ca 0.12 -1.33 -0.06 0.00 0.71 0.00 0.00 52.55 51.98 1shi s ASP 42 Cb -0.00 -0.12 0.05 0.00 1.01 0.00 0.00 42.92 43.86 1shi s ASP 42 CO -0.03 -0.64 0.12 0.00 0.21 0.00 0.00 175.17 174.83 1shi s ARG 45 N -2.58 2.72 -0.91 0.00 3.52 -0.74 -1.66 118.95 119.31 1shi s ARG 45 Ca 0.22 -1.06 -0.23 0.00 -0.13 0.00 0.00 55.73 54.53 1shi s ARG 45 Cb -0.09 -3.08 -0.23 0.00 -1.56 0.00 0.00 34.95 29.99 1shi s ARG 45 CO 0.13 -0.48 2.46 1.17 -0.81 0.00 0.00 175.30 177.78 1shi n LYS 46 N 4.67 0.21 -1.17 5.12 4.81 -1.26 -1.67 118.16 128.86 1shi n LYS 46 Ca -0.15 -0.09 0.15 0.00 -0.87 0.00 0.00 58.31 57.35 1shi n LYS 46 Cb 0.46 -1.85 -0.05 0.00 0.02 0.00 0.00 35.03 33.61 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 7.69 -2.52 0.00 1.64 4.76 0.56 -4.88 118.16 125.41 1shi n LYS 47 Ca 0.61 1.87 0.07 0.00 -2.87 0.00 0.00 58.31 57.98 1shi n LYS 47 Cb 0.18 -3.02 0.06 0.00 -1.84 0.00 0.00 35.03 30.40 1shi n LYS 47 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20