#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 -2.25 -3.38 0.00 0.00 -1.26 -1.95 120.51 111.68 1shi n ALA 2 Ca 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 53.44 53.80 1shi n ALA 2 Cb 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 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 1.31 -0.86 -4.20 0.00 5.02 -1.26 -1.90 118.16 116.26 1shi n LYS 4 Ca -0.20 -0.45 -0.18 0.00 -2.02 0.00 0.00 58.31 55.46 1shi n LYS 4 Cb 0.56 -0.35 -0.06 0.00 -0.02 0.00 0.00 35.03 35.16 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 -1.53 2.28 -0.96 0.00 -0.08 -1.24 -3.70 116.55 111.33 1shi n ASP 6 Ca 0.05 -2.22 -0.01 0.00 -1.51 0.00 0.00 54.79 51.09 1shi n ASP 6 Cb 0.62 -0.43 -0.02 0.00 2.34 0.00 0.00 41.12 43.63 1shi n ASP 6 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1shi n ASP 7 N 0.25 -0.06 -1.73 1.67 9.92 -1.26 -4.91 116.55 120.43 1shi n ASP 7 Ca 0.10 -1.80 -0.14 0.00 -0.53 0.00 0.00 54.79 52.42 1shi n ASP 7 Cb 0.47 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 40.99 1shi n ASP 7 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1shi n GLU 8 N 0.14 1.68 0.00 -1.24 1.02 -1.24 -4.95 120.64 116.05 1shi n GLU 8 Ca -0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1shi n GLU 8 Cb 0.79 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.10 1.23 1.70 0.62 0.00 -1.26 -4.66 105.19 102.93 1shi n GLY 9 Ca 0.28 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 1.23 1.38 -0.39 1.61 -0.04 -1.26 -4.88 135.00 132.65 1shi n PRO 10 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1shi n PRO 10 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1shi n PRO 10 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1shi n ASP 11 N 1.57 0.00 0.00 3.54 5.75 -1.26 -5.02 116.55 121.13 1shi n ASP 11 Ca 0.15 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1shi n ASP 11 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1shi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1shi n ILE 12 N -1.26 0.00 0.02 2.12 0.00 -1.26 -4.95 119.36 114.04 1shi n ILE 12 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 62.75 62.73 1shi n ILE 12 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 39.64 39.55 1shi n ILE 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 1shi h ARG 13 N 0.00 0.00 -3.44 9.51 0.11 -2.03 -3.48 114.38 115.06 1shi h ARG 13 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1shi h ARG 13 Cb 0.00 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 30.93 1shi h ARG 13 CO 0.00 0.34 -0.24 0.95 0.10 0.00 0.00 179.97 181.12 1shi s THR 14 N -2.85 0.09 -0.08 0.08 -4.23 -1.26 -5.17 115.64 102.22 1shi s THR 14 Ca -0.03 -0.78 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 1shi s THR 14 Cb 0.08 -1.08 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1shi s THR 14 CO 0.81 -0.43 0.74 0.00 -0.54 0.00 0.00 174.62 175.21 1shi s ALA 15 N -3.13 -1.80 -1.71 3.99 0.00 -1.26 -4.79 121.76 113.06 1shi s ALA 15 Ca -0.01 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1shi s ALA 15 Cb 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1shi s ALA 15 CO -0.07 -0.36 0.92 -0.35 0.00 0.00 0.00 175.76 175.91 1shi n PRO 16 N 0.97 1.19 -3.70 0.00 -0.04 -1.26 -4.92 135.00 127.25 1shi n PRO 16 Ca -0.17 -0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 62.84 1shi n PRO 16 Cb 0.57 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.22 -2.53 -0.61 1.53 4.77 -1.26 -4.78 117.00 113.91 1shi n LEU 17 Ca 0.02 -0.85 0.03 0.00 -0.03 0.00 0.00 56.01 55.18 1shi n LEU 17 Cb 0.13 -1.85 0.11 0.00 -2.33 0.00 0.00 43.42 39.48 1shi n LEU 17 CO 0.02 0.19 0.53 1.07 -1.33 0.00 0.00 177.39 177.87 1shi n THR 18 N -2.54 0.50 -3.57 -5.08 5.66 -1.26 -4.79 114.28 103.21 1shi n THR 18 Ca -0.28 -0.35 -0.20 0.00 -3.05 0.00 0.00 64.05 60.17 1shi n THR 18 Cb 0.67 -0.07 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.71 1.98 -0.20 1.09 0.00 -0.80 -4.04 107.32 104.64 1shi s GLY 19 Ca 0.16 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 1shi s GLY 19 CO 0.08 -1.62 0.36 -1.59 0.00 0.00 0.00 173.10 170.33 1shi s THR 20 N -2.39 -0.56 -0.06 0.90 2.01 0.30 -3.44 115.64 112.40 1shi s THR 20 Ca 0.47 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1shi s THR 20 Cb -0.05 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1shi s THR 20 CO 0.28 -0.01 1.61 -0.69 -0.69 0.00 0.00 174.62 175.13 1shi s VAL 21 N 2.53 3.63 -0.54 3.82 1.01 -0.82 -1.76 120.40 128.27 1shi s VAL 21 Ca 0.05 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1shi s VAL 21 Cb -0.14 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.88 1shi s VAL 21 CO -0.13 -0.07 0.31 -0.62 0.00 0.00 0.00 175.10 174.59 1shi s ASP 22 N 3.16 4.81 -0.94 3.32 -1.08 -1.26 -3.25 116.67 121.44 1shi s ASP 22 Ca 0.72 -2.79 -0.22 0.00 -0.52 0.00 0.00 52.55 49.74 1shi s ASP 22 Cb -0.32 -1.74 -0.25 0.00 -1.46 0.00 0.00 42.92 39.15 1shi s ASP 22 CO 0.28 -0.33 2.44 0.18 0.52 0.00 0.00 175.17 178.26 1shi n LEU 23 N 3.49 -0.09 0.00 -1.34 7.99 -1.26 -0.99 117.00 124.80 1shi n LEU 23 Ca 0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 56.01 55.75 1shi n LEU 23 Cb 0.36 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1shi n LEU 23 CO 0.33 -1.24 0.00 0.61 -1.51 0.00 0.00 177.39 175.58 1shi n GLY 24 N 6.09 2.83 0.00 -0.72 0.00 -1.26 -5.07 105.19 107.06 1shi n GLY 24 Ca 0.63 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.23 1.61 3.41 -0.17 -5.02 113.62 109.22 1shi n SER 25 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1shi n SER 25 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shi s ASN 27 N -1.21 3.52 0.16 0.00 2.47 -1.26 -5.02 114.94 113.60 1shi s ASN 27 Ca 0.53 -1.68 -0.33 0.00 0.42 0.00 0.00 52.86 51.80 1shi s ASN 27 Cb -0.32 0.55 -0.13 0.00 -1.45 0.00 0.00 41.25 39.90 1shi s ASN 27 CO 0.70 -0.91 1.67 0.00 -3.72 0.00 0.00 177.10 174.84 1shi n ALA 28 N -1.11 1.89 -0.22 1.71 0.00 -1.26 -1.25 120.51 120.27 1shi n ALA 28 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1shi n ALA 28 Cb 0.66 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.74 0.78 2.95 0.00 0.00 -1.26 -5.05 105.19 106.35 1shi n GLY 29 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.17 1.28 -0.42 1.61 0.52 -0.38 -2.77 118.94 116.60 1shi s TRP 30 Ca 0.00 -0.51 -0.13 0.00 0.02 0.00 0.00 56.10 55.48 1shi s TRP 30 Cb 0.00 -1.02 0.05 0.00 -1.15 0.00 0.00 33.47 31.35 1shi s TRP 30 CO 0.00 -0.34 0.30 -1.83 0.02 0.00 0.00 176.95 175.10 1shi s GLU 31 N 1.12 2.86 0.05 4.98 -1.05 -0.81 -4.49 118.70 121.36 1shi s GLU 31 Ca -0.07 -1.24 -0.38 0.00 -0.15 0.00 0.00 54.97 53.14 1shi s GLU 31 Cb -0.14 -3.93 -0.18 0.00 -0.44 0.00 0.00 34.13 29.44 1shi s GLU 31 CO -0.01 -0.87 1.14 1.17 0.95 0.00 0.00 175.26 177.64 1shi n LYS 32 N 5.08 0.48 0.00 -4.83 4.81 -1.26 -1.65 118.16 120.79 1shi n LYS 32 Ca -0.11 0.17 0.02 0.00 -0.87 0.00 0.00 58.31 57.52 1shi n LYS 32 Cb 0.45 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.99 0.22 0.16 0.00 0.00 -1.22 -3.61 121.76 116.33 1shi s ALA 34 Ca 0.03 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 1shi s ALA 34 Cb 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1shi s ALA 34 CO 0.12 -0.23 1.56 1.03 0.00 0.00 0.00 175.76 178.23 1shi h SER 35 N 7.68 -1.72 0.00 0.00 0.87 -1.93 -3.43 113.55 115.03 1shi h SER 35 Ca -0.34 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1shi h SER 35 Cb 1.12 0.76 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1shi h SER 35 CO 0.37 -0.33 0.00 0.00 -0.53 0.00 0.00 176.83 176.34 1shi n TYR 36 N -5.37 0.00 0.00 2.24 9.36 -1.26 -4.95 117.16 117.18 1shi n TYR 36 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1shi n TYR 36 Cb 0.33 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 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 -2.64 2.98 9.36 -1.26 -4.32 117.16 121.28 1shi n TYR 37 Ca 0.00 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 1shi n TYR 37 Cb 0.00 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.82 1shi n TYR 37 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1shi s THR 38 N 0.00 2.10 0.17 2.97 2.01 -1.11 -4.97 115.64 116.80 1shi s THR 38 Ca 0.00 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1shi s THR 38 Cb 0.00 -2.46 0.06 0.00 0.01 0.00 0.00 72.50 70.12 1shi s THR 38 CO 0.00 0.00 1.59 0.40 -0.69 0.00 0.00 174.62 175.92 1shi h ILE 39 N -0.48 0.21 0.00 1.82 2.04 -2.02 -3.28 117.51 115.80 1shi h ILE 39 Ca -0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1shi h ILE 39 Cb 1.27 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1shi h ILE 39 CO 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 178.38 1shi n ILE 40 N -5.42 0.00 -1.88 -0.67 0.00 -1.26 -5.05 119.36 105.08 1shi n ILE 40 Ca 0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 62.75 62.13 1shi n ILE 40 Cb 0.34 0.89 0.12 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 s ALA 41 N -1.02 2.49 0.00 1.51 0.00 -1.24 -4.52 121.76 118.99 1shi s ALA 41 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1shi s ALA 41 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1shi s ALA 41 CO 0.00 -1.91 0.00 -0.40 0.00 0.00 0.00 175.76 173.45 1shi n ASP 42 N -3.46 0.00 -3.45 0.00 5.75 -1.26 -2.74 116.55 111.38 1shi n ASP 42 Ca 0.10 -0.94 -0.14 0.00 -0.01 0.00 0.00 54.79 53.80 1shi n ASP 42 Cb 0.61 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.59 1shi n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1shi s ARG 45 N -3.56 2.25 -0.93 0.00 3.52 -0.66 0.11 118.95 119.68 1shi s ARG 45 Ca 0.31 -1.47 -0.22 0.00 -0.13 0.00 0.00 55.73 54.22 1shi s ARG 45 Cb -0.07 -3.32 -0.24 0.00 -1.56 0.00 0.00 34.95 29.75 1shi s ARG 45 CO 0.19 -0.78 2.44 1.17 -0.81 0.00 0.00 175.30 177.51 1shi n LYS 46 N 4.60 0.15 -1.12 5.12 4.81 -1.26 -1.92 118.16 128.54 1shi n LYS 46 Ca -0.09 -0.07 0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1shi n LYS 46 Cb 0.43 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 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 7.42 -2.11 0.00 1.64 4.76 -1.12 -4.88 118.16 123.88 1shi n LYS 47 Ca 0.62 1.54 0.14 0.00 -2.87 0.00 0.00 58.31 57.74 1shi n LYS 47 Cb 0.16 -2.66 0.45 0.00 -1.84 0.00 0.00 35.03 31.13 1shi n LYS 47 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39