#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxy s GLU 18 N 0.00 4.42 0.23 -0.78 2.12 -1.26 -5.02 118.70 118.41 3kxy s GLU 18 Ca 0.00 1.15 -0.30 0.00 0.36 0.00 0.00 54.97 56.18 3kxy s GLU 18 Cb 0.00 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 3kxy s GLU 18 CO 0.00 -0.16 1.37 0.00 -0.54 0.00 0.00 175.26 175.93 3kxy s ALA 19 N 1.53 3.57 -0.10 6.30 0.00 -1.26 -5.02 121.76 126.78 3kxy s ALA 19 Ca 0.43 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3kxy s ALA 19 Cb -0.18 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.44 3kxy s ALA 19 CO 0.18 -0.64 -0.13 0.08 0.00 0.00 0.00 175.76 175.25 3kxy s VAL 20 N -0.04 1.32 0.56 0.00 1.01 -1.26 -4.49 120.40 117.50 3kxy s VAL 20 Ca 0.57 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.08 3kxy s VAL 20 Cb -0.39 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 34.82 3kxy s VAL 20 CO 0.42 0.41 0.53 -0.83 0.00 0.00 0.00 175.10 175.62 3kxy s GLY 21 N 1.00 2.18 -0.05 4.51 0.00 0.23 -4.88 107.32 110.31 3kxy s GLY 21 Ca -0.07 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 3kxy s GLY 21 CO -0.01 -1.87 0.00 -1.58 0.00 0.00 0.00 173.10 169.64 3kxy s HIS 22 N -2.75 0.46 -0.15 1.90 2.46 -1.26 0.05 115.29 116.00 3kxy s HIS 22 Ca 0.42 -0.05 -0.02 0.00 0.47 0.00 0.00 55.06 55.88 3kxy s HIS 22 Cb -0.03 -0.60 0.05 0.00 -0.13 0.00 0.00 32.58 31.87 3kxy s HIS 22 CO 0.26 -0.22 0.03 0.12 -2.47 0.00 0.00 174.74 172.46 3kxy s PHE 23 N 1.53 0.82 -1.28 3.88 5.36 0.10 -4.90 117.98 123.48 3kxy s PHE 23 Ca -0.02 -0.55 -0.13 0.00 -0.96 0.00 0.00 56.93 55.27 3kxy s PHE 23 Cb -0.13 -0.91 0.00 0.00 -0.34 0.00 0.00 43.02 41.64 3kxy s PHE 23 CO -0.03 -0.49 0.58 0.39 -1.46 0.00 0.00 175.22 174.21 3kxy n GLU 24 N 5.11 -1.90 -1.98 10.12 -0.58 -1.26 -1.52 120.64 128.63 3kxy n GLU 24 Ca -0.08 0.36 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 3kxy n GLU 24 Cb 0.48 -4.02 -0.01 0.00 -0.57 0.00 0.00 31.44 27.32 3kxy n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kxy n GLY 25 N -1.92 0.23 2.91 0.62 0.00 -1.26 -5.02 105.19 100.75 3kxy n GLY 25 Ca -0.20 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 3kxy n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxy s ARG 26 N -4.11 0.36 0.45 1.61 0.52 -0.57 -5.14 118.95 112.07 3kxy s ARG 26 Ca 0.00 -0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 54.89 3kxy s ARG 26 Cb 0.00 -0.39 -0.08 0.00 0.52 0.00 0.00 34.95 34.99 3kxy s ARG 26 CO 0.00 0.03 1.07 -1.54 0.02 0.00 0.00 175.30 174.88 3kxy s SER 27 N 0.22 6.43 -0.03 0.23 1.04 -1.26 0.02 113.70 120.35 3kxy s SER 27 Ca -0.02 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3kxy s SER 27 Cb -0.05 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.52 3kxy s SER 27 CO -0.00 -0.72 0.00 -0.69 0.98 0.00 0.00 173.24 172.81 3kxy s VAL 28 N -1.77 0.18 0.11 5.02 1.01 0.11 -4.84 120.40 120.21 3kxy s VAL 28 Ca 0.63 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.79 3kxy s VAL 28 Cb -0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3kxy s VAL 28 CO 0.25 0.15 -0.19 0.42 0.00 0.00 0.00 175.10 175.74 3kxy s THR 29 N 1.14 1.63 0.06 3.92 -4.23 -1.26 0.74 115.64 117.63 3kxy s THR 29 Ca -0.08 -1.61 -0.31 0.00 -1.18 0.00 0.00 61.69 58.51 3kxy s THR 29 Cb -0.13 -1.56 -0.07 0.00 1.34 0.00 0.00 72.50 72.07 3kxy s THR 29 CO -0.02 -0.16 1.54 -0.60 -0.54 0.00 0.00 174.62 174.83 3kxy s ARG 30 N -2.14 4.24 0.13 3.99 6.06 -1.26 -5.01 118.95 124.96 3kxy s ARG 30 Ca 0.08 2.18 0.08 0.00 -2.50 0.00 0.00 55.73 55.57 3kxy s ARG 30 Cb -0.09 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.36 3kxy s ARG 30 CO 0.04 -0.64 -0.09 0.00 -2.50 0.00 0.00 175.30 172.11 3kxy s ALA 31 N 2.31 2.97 0.37 6.12 0.00 -1.26 -5.11 121.76 127.17 3kxy s ALA 31 Ca 0.69 -1.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 3kxy s ALA 31 Cb -0.37 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 3kxy s ALA 31 CO 0.30 0.58 1.07 0.00 0.00 0.00 0.00 175.76 177.71 3kxy s ALA 32 N -1.39 3.16 0.18 0.00 0.00 -1.26 -4.94 121.76 117.51 3kxy s ALA 32 Ca 0.23 0.77 0.26 0.00 0.00 0.00 0.00 51.96 53.22 3kxy s ALA 32 Cb -0.10 -3.29 1.10 0.00 0.00 0.00 0.00 23.12 20.82 3kxy s ALA 32 CO 0.15 -0.24 1.90 0.28 0.00 0.00 0.00 175.76 177.85 3kxy h VAL 33 N 2.39 0.46 -7.15 0.00 2.07 -2.04 -3.46 116.25 108.51 3kxy h VAL 33 Ca -0.48 -0.92 -0.62 0.00 0.82 0.00 0.00 66.70 65.50 3kxy h VAL 33 Cb 1.22 1.65 -0.32 0.00 -1.52 0.00 0.00 31.29 32.32 3kxy h VAL 33 CO 0.63 0.17 -0.93 -2.11 0.02 0.00 0.00 177.57 175.35 3kxy n ARG 34 N -3.38 -0.86 0.11 1.57 -4.01 -1.26 -4.80 116.66 104.03 3kxy n ARG 34 Ca -0.00 0.13 0.09 0.00 -1.04 0.00 0.00 57.85 57.03 3kxy n ARG 34 Cb 0.37 -4.32 0.57 0.00 -3.04 0.00 0.00 32.46 26.05 3kxy n ARG 34 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 3kxy h GLY 35 N -1.22 0.22 0.98 2.89 0.00 -1.90 -1.22 103.07 102.82 3kxy h GLY 35 Ca -0.62 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3kxy h GLY 35 CO 0.83 0.07 -0.95 -1.84 0.00 0.00 0.00 176.54 174.65 3kxy n GLU 36 N -4.49 0.52 -0.02 4.80 0.00 -1.26 -4.26 120.64 115.93 3kxy n GLU 36 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 57.16 57.16 3kxy n GLU 36 Cb 0.19 -1.78 -0.10 0.00 0.00 0.00 0.00 31.44 29.75 3kxy n GLU 36 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3kxy h ASP 37 N 0.00 -0.04 -4.78 -1.84 -0.00 -1.60 -3.47 116.42 104.68 3kxy h ASP 37 Ca 0.00 -0.63 -0.21 0.00 -0.00 0.00 0.00 57.03 56.19 3kxy h ASP 37 Cb 0.93 0.01 -0.17 0.00 -0.00 0.00 0.00 39.33 40.10 3kxy h ASP 37 CO 0.00 0.65 -0.70 -0.13 -0.00 0.00 0.00 179.24 179.06 3kxy s ARG 38 N -3.17 0.69 0.00 0.28 1.81 -0.89 -5.16 118.95 112.52 3kxy s ARG 38 Ca -0.16 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 3kxy s ARG 38 Cb -0.00 -0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.36 3kxy s ARG 38 CO 0.60 -0.02 0.00 0.45 -0.68 0.00 0.00 175.30 175.65 3kxy n SER 39 N 0.42 0.00 0.00 0.23 2.88 -1.26 -4.59 113.62 111.30 3kxy n SER 39 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3kxy n SER 39 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3kxy n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kxy n GLY 68 N 0.00 3.54 3.52 0.46 0.00 -1.26 -5.24 105.19 106.21 3kxy n GLY 68 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 3kxy n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxy s ASP 69 N 0.00 5.87 0.19 1.61 1.11 -1.26 -5.06 116.67 119.13 3kxy s ASP 69 Ca 0.00 -0.30 -0.31 0.00 0.18 0.00 0.00 52.55 52.12 3kxy s ASP 69 Cb 0.00 -2.09 -0.10 0.00 1.07 0.00 0.00 42.92 41.80 3kxy s ASP 69 CO 0.00 -0.15 1.54 -0.83 1.18 0.00 0.00 175.17 176.91 3kxy s GLY 70 N 1.70 1.74 -0.27 0.21 0.00 -1.26 -5.00 107.32 104.45 3kxy s GLY 70 Ca 0.06 1.37 -0.06 0.00 0.00 0.00 0.00 44.72 46.09 3kxy s GLY 70 CO 0.09 2.56 0.05 -1.59 0.00 0.00 0.00 173.10 174.21 3kxy s THR 71 N 0.85 3.89 0.74 0.90 2.01 -1.26 -5.09 115.64 117.68 3kxy s THR 71 Ca 0.67 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3kxy s THR 71 Cb -0.44 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 3kxy s THR 71 CO 0.34 0.20 0.74 -2.65 -0.69 0.00 0.00 174.62 172.57 3kxy n PRO 72 N 4.86 0.34 0.08 4.92 -0.02 -1.26 -4.94 135.00 138.98 3kxy n PRO 72 Ca -0.16 0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3kxy n PRO 72 Cb 0.49 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 3kxy n PRO 72 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kxy h LEU 73 N -0.42 0.00 -1.69 2.45 4.07 -1.98 -3.29 115.31 114.44 3kxy h LEU 73 Ca -0.46 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 3kxy h LEU 73 Cb 1.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 3kxy h LEU 73 CO 0.44 0.63 0.09 -0.33 -1.08 0.00 0.00 178.44 178.19 3kxy h GLU 74 N 0.00 0.29 0.02 1.13 3.07 -2.03 -2.32 114.58 114.74 3kxy h GLU 74 Ca -0.08 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 3kxy h GLU 74 Cb 1.55 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.38 3kxy h GLU 74 CO 0.07 0.24 -0.98 0.00 -1.40 0.00 0.00 179.01 176.93 3kxy h ALA 75 N 1.81 0.39 -2.65 3.43 0.00 -1.95 -3.46 119.26 116.83 3kxy h ALA 75 Ca 0.08 -0.84 -0.51 0.00 0.00 0.00 0.00 54.91 53.63 3kxy h ALA 75 Cb 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 17.82 3kxy h ALA 75 CO -0.01 1.10 0.44 1.03 0.00 0.00 0.00 179.25 181.81 3kxy s ARG 76 N -2.87 3.14 0.20 0.00 0.52 -0.87 -5.03 118.95 114.04 3kxy s ARG 76 Ca -0.01 1.65 -0.08 0.00 -0.52 0.00 0.00 55.73 56.78 3kxy s ARG 76 Cb 0.10 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 3kxy s ARG 76 CO 0.83 -1.03 0.48 0.95 0.02 0.00 0.00 175.30 176.55 3kxy s THR 77 N -1.79 5.02 0.09 0.02 -4.23 -1.26 -5.01 115.64 108.48 3kxy s THR 77 Ca 0.73 0.30 0.08 0.00 -1.18 0.00 0.00 61.69 61.63 3kxy s THR 77 Cb -0.26 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 3kxy s THR 77 CO 0.31 -0.03 -0.22 0.54 -0.54 0.00 0.00 174.62 174.68 3kxy s VAL 78 N -1.75 1.78 -0.37 2.29 0.11 -1.26 -5.11 120.40 116.09 3kxy s VAL 78 Ca 0.45 -1.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 3kxy s VAL 78 Cb -0.12 -1.59 0.16 0.00 -1.53 0.00 0.00 36.38 33.31 3kxy s VAL 78 CO 0.22 0.05 0.47 -0.13 -3.33 0.00 0.00 175.10 172.38 3kxy s ARG 79 N -1.68 0.67 0.14 1.54 1.81 -1.26 -5.13 118.95 115.04 3kxy s ARG 79 Ca 0.08 -0.53 -0.31 0.00 -1.72 0.00 0.00 55.73 53.25 3kxy s ARG 79 Cb -0.10 -0.39 -0.10 0.00 -0.45 0.00 0.00 34.95 33.91 3kxy s ARG 79 CO 0.04 -1.17 1.76 0.50 -0.68 0.00 0.00 175.30 175.75 3kxy s ARG 80 N 1.72 4.15 0.00 3.54 3.52 -1.26 -5.38 118.95 125.24 3kxy s ARG 80 Ca 0.16 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 3kxy s ARG 80 Cb -0.11 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3kxy s ARG 80 CO -0.08 -0.79 0.19 2.89 -0.81 0.00 0.00 175.30 176.70