#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 3.30 0.00 1.09 2.12 -1.26 -5.09 118.70 118.87 3kxy s GLU 18 Ca 0.00 -0.31 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 3kxy s GLU 18 Cb 0.00 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 3kxy s GLU 18 CO 0.00 0.70 0.73 0.00 -0.54 0.00 0.00 175.26 176.15 3kxy s ALA 19 N -1.16 3.37 -0.24 6.30 0.00 -1.26 -5.05 121.76 123.72 3kxy s ALA 19 Ca 0.21 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3kxy s ALA 19 Cb -0.12 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.08 3kxy s ALA 19 CO 0.11 0.02 -0.11 0.08 0.00 0.00 0.00 175.76 175.86 3kxy s VAL 20 N 0.21 2.36 0.78 0.00 1.01 -1.26 -4.59 120.40 118.91 3kxy s VAL 20 Ca 0.38 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3kxy s VAL 20 Cb -0.19 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.09 3kxy s VAL 20 CO 0.21 0.16 1.07 -0.83 0.00 0.00 0.00 175.10 175.71 3kxy s GLY 21 N 1.21 1.76 -0.04 4.51 0.00 0.25 -4.83 107.32 110.18 3kxy s GLY 21 Ca -0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 42.95 3kxy s GLY 21 CO -0.07 -1.09 0.07 -1.58 0.00 0.00 0.00 173.10 170.44 3kxy s HIS 22 N -3.29 -0.02 -0.16 1.90 2.46 -1.26 0.01 115.29 114.93 3kxy s HIS 22 Ca 0.69 0.28 -0.05 0.00 0.47 0.00 0.00 55.06 56.45 3kxy s HIS 22 Cb -0.04 -0.28 0.06 0.00 -0.13 0.00 0.00 32.58 32.18 3kxy s HIS 22 CO 0.46 -0.15 0.10 0.12 -2.47 0.00 0.00 174.74 172.80 3kxy s PHE 23 N 1.54 0.14 -1.16 3.88 5.36 0.78 -4.93 117.98 123.58 3kxy s PHE 23 Ca -0.04 -0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 55.61 3kxy s PHE 23 Cb -0.12 -0.64 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3kxy s PHE 23 CO -0.04 -0.48 0.80 0.39 -1.46 0.00 0.00 175.22 174.43 3kxy n GLU 24 N 5.29 -2.43 -0.97 10.12 -0.58 -1.26 -1.96 120.64 128.85 3kxy n GLU 24 Ca -0.06 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3kxy n GLU 24 Cb 0.49 -4.84 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 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 -1.54 0.34 3.29 0.62 0.00 -1.26 -4.99 105.19 101.65 3kxy n GLY 25 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.74 1.90 0.28 1.61 0.52 -0.83 -5.13 118.95 116.56 3kxy s ARG 26 Ca 0.00 -0.91 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 3kxy s ARG 26 Cb 0.00 -1.88 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 3kxy s ARG 26 CO 0.00 0.51 0.90 -1.54 0.02 0.00 0.00 175.30 175.19 3kxy s SER 27 N -0.72 7.37 -0.04 0.23 1.04 -1.26 -0.15 113.70 120.16 3kxy s SER 27 Ca 0.10 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.34 3kxy s SER 27 Cb -0.09 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3kxy s SER 27 CO -0.00 0.02 -0.13 -0.69 0.98 0.00 0.00 173.24 173.41 3kxy s VAL 28 N -1.48 1.15 0.01 5.02 1.01 0.10 -4.88 120.40 121.33 3kxy s VAL 28 Ca 0.46 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3kxy s VAL 28 Cb -0.20 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3kxy s VAL 28 CO 0.25 0.34 -0.06 0.42 0.00 0.00 0.00 175.10 176.05 3kxy s THR 29 N 0.20 0.50 0.32 3.92 -4.23 -1.26 0.86 115.64 115.95 3kxy s THR 29 Ca -0.05 -0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 3kxy s THR 29 Cb -0.11 -0.45 -0.10 0.00 1.34 0.00 0.00 72.50 73.17 3kxy s THR 29 CO 0.02 0.03 1.40 -0.60 -0.54 0.00 0.00 174.62 174.93 3kxy s ARG 30 N -0.45 4.26 0.09 3.99 3.52 -1.26 -5.02 118.95 124.09 3kxy s ARG 30 Ca -0.00 2.35 0.08 0.00 -0.13 0.00 0.00 55.73 58.03 3kxy s ARG 30 Cb -0.04 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3kxy s ARG 30 CO -0.00 -0.36 -0.22 0.00 -0.81 0.00 0.00 175.30 173.91 3kxy s ALA 31 N -0.77 1.88 0.05 6.12 0.00 -1.26 -5.11 121.76 122.67 3kxy s ALA 31 Ca 0.53 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 3kxy s ALA 31 Cb -0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3kxy s ALA 31 CO 0.53 0.39 1.22 0.00 0.00 0.00 0.00 175.76 177.91 3kxy s ALA 32 N -1.08 3.43 -0.78 0.00 0.00 -1.26 -4.95 121.76 117.13 3kxy s ALA 32 Ca 0.08 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 3kxy s ALA 32 Cb -0.10 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3kxy s ALA 32 CO 0.04 -0.52 1.72 0.08 0.00 0.00 0.00 175.76 177.08 3kxy s VAL 33 N 1.29 3.53 0.97 0.00 1.01 -1.26 -4.98 120.40 120.97 3kxy s VAL 33 Ca 0.59 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 3kxy s VAL 33 Cb -0.29 -4.30 0.18 0.00 0.00 0.00 0.00 36.38 31.97 3kxy s VAL 33 CO 0.28 -1.24 1.10 -0.13 0.00 0.00 0.00 175.10 175.11 3kxy s ARG 34 N 6.50 0.57 0.02 2.72 1.81 -1.26 -5.05 118.95 124.26 3kxy s ARG 34 Ca 0.59 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.86 3kxy s ARG 34 Cb -0.08 -1.70 -0.01 0.00 -0.45 0.00 0.00 34.95 32.71 3kxy s ARG 34 CO 0.09 -2.84 -0.03 0.20 -0.68 0.00 0.00 175.30 172.04 3kxy s GLY 35 N -2.75 0.21 0.00 -3.53 0.00 -1.26 -4.91 107.32 95.08 3kxy s GLY 35 Ca 0.66 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3kxy s GLY 35 CO 0.60 -0.48 0.00 1.18 0.00 0.00 0.00 173.10 174.40 3kxy n GLU 36 N 2.05 3.26 -2.29 2.90 4.71 -1.26 -5.02 120.64 124.99 3kxy n GLU 36 Ca -0.20 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.76 3kxy n GLU 36 Cb 0.56 -0.48 -0.02 0.00 -1.01 0.00 0.00 31.44 30.50 3kxy n GLU 36 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kxy n ASP 37 N -0.50 -5.46 -2.54 1.62 8.00 -1.26 -4.96 116.55 111.44 3kxy n ASP 37 Ca 0.00 0.09 -0.06 0.00 0.71 0.00 0.00 54.79 55.53 3kxy n ASP 37 Cb 0.00 -4.60 0.04 0.00 -0.02 0.00 0.00 41.12 36.55 3kxy n ASP 37 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3kxy n ARG 38 N -2.88 -0.84 0.00 -1.24 1.85 -1.26 -5.32 116.66 106.98 3kxy n ARG 38 Ca -0.22 -0.37 0.00 0.00 -1.00 0.00 0.00 57.85 56.25 3kxy n ARG 38 Cb 0.67 -0.29 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 3kxy n ARG 38 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3kxy n SER 39 N -3.27 0.00 0.09 2.89 3.41 -1.26 -5.29 113.62 110.19 3kxy n SER 39 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3kxy n SER 39 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3kxy n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kxy n ALA 66 N -3.00 0.00 0.24 7.33 0.00 -1.26 -5.29 120.51 118.53 3kxy n ALA 66 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3kxy n ALA 66 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 3kxy n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kxy h ASP 67 N 0.00 0.00 0.00 0.00 3.32 -2.11 -3.45 116.42 114.17 3kxy h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kxy h ASP 67 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kxy h ASP 67 CO 0.00 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 3kxy n GLY 68 N -0.93 0.75 2.51 2.75 0.00 -1.26 -4.92 105.19 104.10 3kxy n GLY 68 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3kxy n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kxy n ASP 69 N -0.02 7.32 -4.39 1.61 8.00 -1.26 -4.99 116.55 122.82 3kxy n ASP 69 Ca 0.00 -3.24 -0.28 0.00 0.71 0.00 0.00 54.79 51.98 3kxy n ASP 69 Cb 0.01 -1.28 0.24 0.00 -0.02 0.00 0.00 41.12 40.08 3kxy n ASP 69 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kxy s GLY 70 N 0.18 1.53 0.14 0.44 0.00 -1.26 -4.92 107.32 103.43 3kxy s GLY 70 Ca 0.55 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.63 3kxy s GLY 70 CO -0.17 0.43 1.57 -0.51 0.00 0.00 0.00 173.10 174.43 3kxy s THR 71 N -2.57 2.75 1.04 0.90 -4.23 -1.26 -4.98 115.64 107.29 3kxy s THR 71 Ca 0.68 0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 61.54 3kxy s THR 71 Cb -0.22 -3.31 0.13 0.00 1.34 0.00 0.00 72.50 70.45 3kxy s THR 71 CO 0.62 0.03 0.61 -2.65 -0.54 0.00 0.00 174.62 172.69 3kxy n PRO 72 N 4.30 -1.14 0.16 3.99 -0.02 -1.26 -4.92 135.00 136.11 3kxy n PRO 72 Ca 0.14 -0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 3kxy n PRO 72 Cb 0.39 -2.00 0.18 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.02 0.00 -0.44 2.45 4.07 -1.93 -3.29 115.31 114.15 3kxy h LEU 73 Ca -0.50 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.50 3kxy h LEU 73 Cb 1.31 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.01 3kxy h LEU 73 CO 0.40 0.50 0.20 -0.33 -1.08 0.00 0.00 178.44 178.14 3kxy h GLU 74 N 0.00 0.40 0.00 1.13 3.07 -2.03 -1.22 114.58 115.92 3kxy h GLU 74 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kxy h GLU 74 Cb 1.16 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3kxy h GLU 74 CO 0.07 0.26 0.00 0.00 -1.40 0.00 0.00 179.01 177.94 3kxy h ALA 75 N 1.25 1.00 -2.92 3.43 0.00 -1.94 -3.41 119.26 116.67 3kxy h ALA 75 Ca 0.20 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.52 3kxy h ALA 75 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3kxy h ALA 75 CO -0.16 0.00 -0.23 1.03 0.00 0.00 0.00 179.25 179.90 3kxy s ARG 76 N -4.02 4.19 -0.08 0.00 0.52 -0.46 -5.07 118.95 114.02 3kxy s ARG 76 Ca -0.04 0.31 -0.20 0.00 -0.52 0.00 0.00 55.73 55.28 3kxy s ARG 76 Cb 0.12 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 3kxy s ARG 76 CO 0.38 0.33 0.55 0.95 0.02 0.00 0.00 175.30 177.54 3kxy s THR 77 N 0.11 5.11 0.01 0.02 -4.23 -1.26 -4.98 115.64 110.41 3kxy s THR 77 Ca 0.22 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 3kxy s THR 77 Cb -0.15 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 3kxy s THR 77 CO 0.09 0.33 0.09 -0.69 -0.54 0.00 0.00 174.62 173.90 3kxy s VAL 78 N 0.49 4.75 -0.29 2.29 1.01 -1.26 -5.09 120.40 122.30 3kxy s VAL 78 Ca 0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3kxy s VAL 78 Cb -0.16 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.16 3kxy s VAL 78 CO 0.13 0.31 0.29 -0.60 0.00 0.00 0.00 175.10 175.23 3kxy s ARG 79 N -1.87 0.32 0.31 2.72 3.00 -1.26 -5.13 118.95 117.04 3kxy s ARG 79 Ca 0.24 -0.14 -0.29 0.00 -1.00 0.00 0.00 55.73 54.54 3kxy s ARG 79 Cb -0.12 -0.67 -0.11 0.00 0.00 0.00 0.00 34.95 34.05 3kxy s ARG 79 CO 0.16 -1.02 1.52 0.50 0.00 0.00 0.00 175.30 176.46 3kxy s ARG 80 N 2.36 4.15 0.00 5.12 3.52 -1.26 -5.37 118.95 127.47 3kxy s ARG 80 Ca 0.09 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 3kxy s ARG 80 Cb -0.14 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 3kxy s ARG 80 CO -0.33 -0.54 0.00 2.89 -0.81 0.00 0.00 175.30 176.51