#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkc n LYS 63 N 0.00 3.17 -3.15 0.00 4.81 -1.26 -4.83 118.16 116.90 1mkc n LYS 63 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1mkc n LYS 63 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1mkc n LYS 63 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1mkc s TYR 64 N 1.56 -1.59 -0.44 5.64 1.13 -1.26 0.22 117.35 122.62 1mkc s TYR 64 Ca 0.00 1.08 0.06 0.00 -1.41 0.00 0.00 57.07 56.79 1mkc s TYR 64 Cb 0.00 0.33 0.18 0.00 -1.10 0.00 0.00 41.96 41.36 1mkc s TYR 64 CO 0.00 -0.91 0.56 0.21 -2.51 0.00 0.00 175.55 172.89 1mkc s LYS 65 N 2.86 0.88 0.00 -3.49 2.36 -0.76 -4.97 119.74 116.61 1mkc s LYS 65 Ca 0.14 -0.97 0.00 0.00 -2.55 0.00 0.00 55.97 52.59 1mkc s LYS 65 Cb -0.10 -0.39 0.00 0.00 -1.05 0.00 0.00 37.83 36.30 1mkc s LYS 65 CO -0.24 -1.27 0.00 1.97 1.55 0.00 0.00 175.35 177.36 1mkc n PHE 66 N 3.63 -0.10 -2.56 4.03 1.16 -1.26 -3.00 117.46 119.36 1mkc n PHE 66 Ca 0.16 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.32 1mkc n PHE 66 Cb 0.52 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.37 1mkc n PHE 66 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1mkc s GLU 67 N 0.45 4.43 0.87 3.97 2.02 -1.26 -5.01 118.70 124.17 1mkc s GLU 67 Ca 0.00 1.57 -0.15 0.00 0.02 0.00 0.00 54.97 56.41 1mkc s GLU 67 Cb 0.00 -3.49 0.21 0.00 0.10 0.00 0.00 34.13 30.95 1mkc s GLU 67 CO 0.00 -0.29 0.90 0.09 0.02 0.00 0.00 175.26 175.98 1mkc n ASN 68 N 4.62 -1.18 -2.38 -0.19 5.03 -1.26 -4.74 115.26 115.15 1mkc n ASN 68 Ca 0.09 -1.13 -0.03 0.00 0.87 0.00 0.00 54.58 54.38 1mkc n ASN 68 Cb 0.48 -0.77 0.01 0.00 -1.02 0.00 0.00 39.78 38.48 1mkc n ASN 68 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1mkc n TRP 69 N -3.99 -2.93 0.00 3.10 8.01 -1.26 -4.91 117.44 115.46 1mkc n TRP 69 Ca 0.12 -0.27 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 1mkc n TRP 69 Cb 0.45 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.67 1mkc n TRP 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mkc n GLY 70 N 4.08 -1.94 3.43 6.99 0.00 -1.26 -5.15 105.19 111.34 1mkc n GLY 70 Ca 0.02 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 1mkc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkc s ALA 71 N -1.00 -1.32 0.76 4.61 0.00 -1.26 -5.14 121.76 118.41 1mkc s ALA 71 Ca 0.00 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 1mkc s ALA 71 Cb 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 23.12 22.09 1mkc s ALA 71 CO 0.00 -0.26 -0.57 0.00 0.00 0.00 0.00 175.76 174.93 1mkc n ASP 73 N 2.80 0.00 0.00 0.00 -0.08 -1.15 -4.84 116.55 113.28 1mkc n ASP 73 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1mkc n ASP 73 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1mkc n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mkc n GLY 74 N -1.26 0.28 0.00 0.27 0.00 -1.26 -4.66 105.19 98.55 1mkc n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mkc n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mkc n GLY 75 N 0.00 -0.38 1.55 -0.02 0.00 -1.26 -5.01 105.19 100.06 1mkc n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mkc n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mkc n THR 76 N 0.00 0.50 0.00 2.61 -2.24 -1.26 -5.09 114.28 108.79 1mkc n THR 76 Ca 0.00 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1mkc n THR 76 Cb 0.00 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1mkc n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mkc n GLY 77 N 2.41 0.60 2.87 3.38 0.00 -1.26 -5.06 105.19 108.13 1mkc n GLY 77 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1mkc n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mkc n THR 78 N 0.00 0.00 -3.03 2.61 5.66 -1.16 -2.94 114.28 115.42 1mkc n THR 78 Ca 0.00 -1.70 -0.42 0.00 -3.05 0.00 0.00 64.05 58.88 1mkc n THR 78 Cb 0.00 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.70 1mkc n THR 78 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1mkc s LYS 79 N -3.64 3.72 -0.10 1.09 1.02 -1.26 -3.58 119.74 116.98 1mkc s LYS 79 Ca 0.18 0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.39 1mkc s LYS 79 Cb -0.01 -3.81 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1mkc s LYS 79 CO 0.12 -0.79 -0.22 0.54 -0.92 0.00 0.00 175.35 174.07 1mkc s VAL 80 N 2.90 2.21 -0.27 3.17 0.11 -1.23 -3.53 120.40 123.76 1mkc s VAL 80 Ca 0.28 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1mkc s VAL 80 Cb -0.14 -1.85 0.07 0.00 -1.53 0.00 0.00 36.38 32.93 1mkc s VAL 80 CO 0.16 0.56 -0.05 0.00 -3.33 0.00 0.00 175.10 172.43 1mkc s ARG 81 N 0.28 1.82 0.35 1.54 1.70 -1.22 -4.77 118.95 118.64 1mkc s ARG 81 Ca -0.16 -1.34 -0.25 0.00 -0.47 0.00 0.00 55.73 53.51 1mkc s ARG 81 Cb -0.17 -2.82 -0.10 0.00 -0.57 0.00 0.00 34.95 31.29 1mkc s ARG 81 CO 0.08 -0.68 0.97 -1.14 -1.08 0.00 0.00 175.30 173.45 1mkc s GLN 82 N 1.17 4.47 0.00 3.89 2.00 -1.22 -2.84 119.66 127.13 1mkc s GLN 82 Ca -0.03 1.36 0.00 0.00 -2.00 0.00 0.00 55.36 54.69 1mkc s GLN 82 Cb -0.19 -2.70 0.00 0.00 0.80 0.00 0.00 33.01 30.91 1mkc s GLN 82 CO -0.07 0.17 0.00 0.41 -0.50 0.00 0.00 175.29 175.30 1mkc n GLY 83 N 0.42 0.66 3.62 2.59 0.00 -1.08 -4.21 105.19 107.20 1mkc n GLY 83 Ca 0.03 -2.30 -0.49 0.00 0.00 0.00 0.00 46.02 43.26 1mkc n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mkc n THR 84 N -0.47 0.45 -4.21 2.61 -2.24 -1.16 -1.40 114.28 107.85 1mkc n THR 84 Ca 0.00 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1mkc n THR 84 Cb 0.00 -1.84 -0.15 0.00 -2.10 0.00 0.00 70.33 66.24 1mkc n THR 84 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1mkc s LEU 85 N 5.23 2.52 -1.37 3.22 1.98 0.15 -1.83 118.68 128.58 1mkc s LEU 85 Ca 0.98 -0.49 -0.16 0.00 -2.89 0.00 0.00 54.13 51.57 1mkc s LEU 85 Cb -0.73 -1.60 0.06 0.00 0.66 0.00 0.00 46.19 44.58 1mkc s LEU 85 CO 0.51 0.03 1.96 0.29 -1.89 0.00 0.00 176.35 177.25 1mkc n LYS 86 N 4.44 3.05 -1.42 1.98 5.02 0.61 -4.01 118.16 127.83 1mkc n LYS 86 Ca -0.19 -2.98 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1mkc n LYS 86 Cb 0.51 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 1mkc n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1mkc n LYS 87 N 7.22 -0.25 0.00 1.97 -0.00 -1.26 -4.76 118.16 121.08 1mkc n LYS 87 Ca 0.50 0.36 0.15 0.00 -0.00 0.00 0.00 58.31 59.32 1mkc n LYS 87 Cb 0.43 -0.36 0.72 0.00 -0.00 0.00 0.00 35.03 35.82 1mkc n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mkc n ALA 88 N 1.10 2.56 -1.74 0.58 0.00 -1.26 -4.84 120.51 116.90 1mkc n ALA 88 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1mkc n ALA 88 Cb 0.12 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 1mkc n ALA 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mkc n ARG 89 N -1.23 -0.04 0.04 0.00 0.63 -1.26 -4.89 116.66 109.91 1mkc n ARG 89 Ca 0.14 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1mkc n ARG 89 Cb 0.25 -3.69 0.00 0.00 0.45 0.00 0.00 32.46 29.48 1mkc n ARG 89 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1mkc n TYR 90 N -3.73 -0.01 0.09 -0.14 4.01 -1.26 -4.70 117.16 111.42 1mkc n TYR 90 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1mkc n TYR 90 Cb 0.37 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.62 1mkc n TYR 90 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1mkc h ASN 91 N 0.00 0.27 0.00 7.72 -1.07 -1.90 -3.46 115.58 117.14 1mkc h ASN 91 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.26 1mkc h ASN 91 Cb 0.24 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 1mkc h ASN 91 CO 0.00 0.66 0.00 0.00 0.07 0.00 0.00 177.43 178.16 1mkc n ALA 92 N -2.48 0.00 0.14 4.14 0.00 -1.26 -4.10 120.51 116.96 1mkc n ALA 92 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.61 1mkc n ALA 92 Cb 0.48 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.64 1mkc n ALA 92 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mkc h GLN 93 N 0.00 0.00 -4.91 0.00 4.20 -2.01 -3.45 115.11 108.94 1mkc h GLN 93 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1mkc h GLN 93 Cb 0.00 0.00 0.12 0.00 0.30 0.00 0.00 27.48 27.90 1mkc h GLN 93 CO 0.00 0.00 -0.56 0.00 -0.67 0.00 0.00 178.83 177.60 1mkc n GLN 95 N -4.04 0.76 0.00 0.00 7.27 -1.26 -4.77 117.38 115.33 1mkc n GLN 95 Ca -0.03 -0.35 0.00 0.00 0.07 0.00 0.00 57.00 56.69 1mkc n GLN 95 Cb 0.56 -3.38 0.00 0.00 2.41 0.00 0.00 30.24 29.84 1mkc n GLN 95 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1mkc n GLU 96 N 8.78 0.00 -2.46 3.69 2.13 -1.26 -3.39 120.64 128.12 1mkc n GLU 96 Ca 0.44 0.76 -0.41 0.00 0.66 0.00 0.00 57.16 58.60 1mkc n GLU 96 Cb 0.46 -1.17 -0.03 0.00 0.27 0.00 0.00 31.44 30.98 1mkc n GLU 96 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1mkc s THR 97 N -2.68 3.68 -0.07 6.31 -4.23 -1.22 0.35 115.64 117.78 1mkc s THR 97 Ca 0.00 0.42 -0.30 0.00 -1.18 0.00 0.00 61.69 60.63 1mkc s THR 97 Cb 0.00 -4.73 0.10 0.00 1.34 0.00 0.00 72.50 69.20 1mkc s THR 97 CO 0.00 -1.65 0.83 0.27 -0.54 0.00 0.00 174.62 173.53 1mkc s ILE 98 N 6.23 0.00 -0.98 2.99 -4.36 -0.50 -4.60 121.20 119.98 1mkc s ILE 98 Ca 0.41 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.58 1mkc s ILE 98 Cb -0.09 -1.00 0.07 0.00 1.25 0.00 0.00 42.46 42.69 1mkc s ILE 98 CO 0.17 0.00 1.35 -0.13 0.24 0.00 0.00 174.94 176.57 1mkc s ARG 99 N -1.64 3.58 0.24 0.37 0.52 -1.25 -2.62 118.95 118.15 1mkc s ARG 99 Ca -0.04 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 53.86 1mkc s ARG 99 Cb -0.00 -5.20 0.06 0.00 0.52 0.00 0.00 34.95 30.32 1mkc s ARG 99 CO 0.02 -2.09 0.30 1.33 0.02 0.00 0.00 175.30 174.88 1mkc n VAL 100 N 6.49 0.00 -3.33 3.52 0.24 -1.13 -4.68 118.33 119.45 1mkc n VAL 100 Ca 0.29 -0.20 -0.03 0.00 -2.04 0.00 0.00 64.34 62.36 1mkc n VAL 100 Cb 0.50 -1.70 0.01 0.00 -1.47 0.00 0.00 33.84 31.18 1mkc n VAL 100 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1mkc n THR 101 N -2.56 0.00 0.03 3.34 -2.24 -1.23 -3.45 114.28 108.17 1mkc n THR 101 Ca 0.04 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1mkc n THR 101 Cb 0.14 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1mkc n THR 101 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1mkc n LYS 102 N -0.20 0.00 0.00 -0.78 4.81 -1.26 -4.69 118.16 116.04 1mkc n LYS 102 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1mkc n LYS 102 Cb 0.21 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.26 1mkc n LYS 102 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1mkc n PRO 103 N -3.00 0.00 0.00 1.64 -0.04 -1.26 -5.01 135.00 127.33 1mkc n PRO 103 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1mkc n PRO 103 Cb 0.00 -0.28 0.06 0.00 -0.04 0.00 0.00 33.50 33.23 1mkc n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46