#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kak s GLU 32 N 0.00 4.21 0.44 1.61 2.12 -1.26 -5.02 118.70 120.80 2kak s GLU 32 Ca 0.00 2.40 0.06 0.00 0.36 0.00 0.00 54.97 57.79 2kak s GLU 32 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 2kak s GLU 32 CO 0.00 -0.55 0.13 -1.01 -0.54 0.00 0.00 175.26 173.29 2kak s HIS 33 N 0.46 2.41 -0.44 5.30 3.76 -1.26 -5.06 115.29 120.46 2kak s HIS 33 Ca 0.65 -0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 2kak s HIS 33 Cb -0.44 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.39 2kak s HIS 33 CO 0.39 0.20 1.41 0.99 -0.85 0.00 0.00 174.74 176.89 2kak s THR 34 N -2.68 3.89 0.18 1.30 2.01 -1.26 -4.95 115.64 114.13 2kak s THR 34 Ca 0.34 0.89 0.07 0.00 0.31 0.00 0.00 61.69 63.30 2kak s THR 34 Cb 0.05 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2kak s THR 34 CO 0.19 -0.82 -0.14 0.42 -0.69 0.00 0.00 174.62 173.57 2kak s THR 35 N 5.52 1.59 0.40 -0.82 -4.23 -1.26 -4.55 115.64 112.29 2kak s THR 35 Ca 0.60 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 2kak s THR 35 Cb -0.13 -1.90 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 2kak s THR 35 CO 0.32 -0.55 1.47 0.00 -0.54 0.00 0.00 174.62 175.32 2kak h GLY 37 N 2.74 0.00 0.65 0.00 0.00 -1.97 0.31 103.07 104.80 2kak h GLY 37 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2kak h GLY 37 CO 0.63 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.17 2kak n GLY 39 N 0.75 0.17 3.48 0.00 0.00 0.10 -4.97 105.19 104.71 2kak n GLY 39 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2kak n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kak s GLU 40 N -4.16 0.52 0.09 1.61 2.12 -0.84 -4.95 118.70 113.09 2kak s GLU 40 Ca 0.05 1.14 -0.36 0.00 0.36 0.00 0.00 54.97 56.16 2kak s GLU 40 Cb -0.01 0.32 -0.16 0.00 0.26 0.00 0.00 34.13 34.55 2kak s GLU 40 CO 0.26 -0.19 1.46 0.72 -0.54 0.00 0.00 175.26 176.97 2kak n HIS 41 N 4.81 1.82 -3.59 5.30 8.25 -1.26 -0.88 115.22 129.67 2kak n HIS 41 Ca -0.16 0.49 -0.11 0.00 -0.26 0.00 0.00 57.72 57.67 2kak n HIS 41 Cb 0.54 -2.42 -0.04 0.00 1.12 0.00 0.00 29.99 29.19 2kak n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kak h GLY 43 N 2.33 0.00 0.77 0.00 0.00 -1.85 -1.38 103.07 102.94 2kak h GLY 43 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2kak h GLY 43 CO 0.45 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.99 2kak s ASN 45 N -1.88 2.45 0.27 0.00 -0.87 -0.52 -4.93 114.94 109.45 2kak s ASN 45 Ca 0.19 -2.53 -0.30 0.00 -1.57 0.00 0.00 52.86 48.65 2kak s ASN 45 Cb 0.09 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.25 40.77 2kak s ASN 45 CO 0.15 -0.26 1.41 -2.16 -2.57 0.00 0.00 177.10 173.67 2kak s PRO 46 N 0.66 4.28 0.18 -0.60 0.04 -1.26 -4.59 135.00 133.71 2kak s PRO 46 Ca 0.23 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 2kak s PRO 46 Cb -0.13 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2kak s PRO 46 CO -0.07 -0.38 0.12 0.00 0.04 0.00 0.00 177.00 176.71 2kak h ALA 48 N 2.68 1.72 0.00 0.00 0.00 -1.95 0.19 119.26 121.90 2kak h ALA 48 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kak h ALA 48 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kak h ALA 48 CO 0.54 -0.54 -1.88 0.00 0.00 0.00 0.00 179.25 177.37 2kak n GLY 50 N 1.30 -0.44 3.66 0.00 0.00 0.66 -4.96 105.19 105.40 2kak n GLY 50 Ca -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2kak n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kak s ARG 51 N -6.77 2.42 0.00 1.61 3.00 -1.26 -5.02 118.95 112.93 2kak s ARG 51 Ca 0.64 -0.90 0.00 0.00 -1.00 0.00 0.00 55.73 54.46 2kak s ARG 51 Cb -0.34 -2.47 0.00 0.00 0.00 0.00 0.00 34.95 32.15 2kak s ARG 51 CO 0.89 0.53 0.00 -0.85 0.00 0.00 0.00 175.30 175.87 2kak n GLU 52 N 0.58 1.93 0.00 5.12 0.00 -1.26 -4.36 120.64 122.64 2kak n GLU 52 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 2kak n GLU 52 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 31.44 31.80 2kak n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kak n GLY 53 N 0.00 -1.59 3.66 -1.84 0.00 -1.26 -4.46 105.19 99.70 2kak n GLY 53 Ca 0.00 -1.53 -0.52 0.00 0.00 0.00 0.00 46.02 43.97 2kak n GLY 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kak n THR 54 N -1.76 0.42 -1.28 2.61 -1.04 -1.26 -4.59 114.28 107.38 2kak n THR 54 Ca 0.00 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.56 2kak n THR 54 Cb 0.00 -1.60 0.11 0.00 -1.82 0.00 0.00 70.33 67.02 2kak n THR 54 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2kak s PRO 55 N 4.23 1.93 0.06 -2.82 0.04 -1.26 -4.21 135.00 132.97 2kak s PRO 55 Ca 0.98 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 2kak s PRO 55 Cb -0.86 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 31.73 2kak s PRO 55 CO 0.57 -1.98 1.38 0.66 0.04 0.00 0.00 177.00 177.67 2kak h SER 56 N -0.66 0.45 0.00 6.66 4.64 -1.76 -3.45 113.55 119.43 2kak h SER 56 Ca -0.46 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2kak h SER 56 Cb 1.29 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2kak h SER 56 CO 0.48 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.87 2kak n GLY 57 N 0.13 1.51 0.00 -0.77 0.00 -1.26 -4.72 105.19 100.07 2kak n GLY 57 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 2kak n GLY 57 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kak n ARG 58 N -0.00 0.78 -3.76 1.61 -4.01 -1.26 -4.71 116.66 105.31 2kak n ARG 58 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2kak n ARG 58 Cb 0.00 -1.22 -0.09 0.00 -3.04 0.00 0.00 32.46 28.11 2kak n ARG 58 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kak s ALA 59 N -2.00 -0.81 -0.93 2.89 0.00 -1.26 -5.07 121.76 114.58 2kak s ALA 59 Ca 0.16 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 2kak s ALA 59 Cb 0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 2kak s ALA 59 CO 0.13 -0.25 2.06 0.27 0.00 0.00 0.00 175.76 177.97 2kak n ASN 60 N 1.55 3.70 -2.99 0.00 2.04 -1.26 -4.87 115.26 113.42 2kak n ASN 60 Ca -0.20 -2.58 -0.07 0.00 -0.44 0.00 0.00 54.58 51.30 2kak n ASN 60 Cb 0.56 -1.19 0.02 0.00 -2.53 0.00 0.00 39.78 36.65 2kak n ASN 60 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2kak n ARG 61 N 5.86 0.87 0.00 -3.83 1.74 -1.26 -4.36 116.66 115.68 2kak n ARG 61 Ca 0.49 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 2kak n ARG 61 Cb 0.31 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2kak n ARG 61 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kak n ARG 62 N -1.43 0.53 -1.23 5.56 3.00 -1.26 -4.78 116.66 117.05 2kak n ARG 62 Ca 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.83 2kak n ARG 62 Cb 0.20 -1.01 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 2kak n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kak n ALA 63 N -0.47 -0.12 -1.01 5.13 0.00 -1.26 -4.69 120.51 118.09 2kak n ALA 63 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kak n ALA 63 Cb 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2kak n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kak n ASN 64 N -1.02 0.34 -4.15 0.00 3.02 -1.26 -4.69 115.26 107.50 2kak n ASN 64 Ca -0.08 -1.35 -0.38 0.00 -0.03 0.00 0.00 54.58 52.75 2kak n ASN 64 Cb 0.54 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 2kak n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kak h SER 66 N 6.29 0.48 -3.91 0.00 4.64 -1.81 -3.21 113.55 116.03 2kak h SER 66 Ca 0.14 -0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.94 2kak h SER 66 Cb 0.85 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2kak h SER 66 CO 0.86 0.40 0.43 0.00 -0.87 0.00 0.00 176.83 177.64 2kak n GLY 68 N 0.62 -0.46 3.55 0.00 0.00 -1.26 -4.97 105.19 102.66 2kak n GLY 68 Ca 0.03 0.06 -0.52 0.00 0.00 0.00 0.00 46.02 45.58 2kak n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kak n ALA 69 N -2.54 -1.76 -3.66 4.61 0.00 -1.26 -2.53 120.51 113.36 2kak n ALA 69 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 2kak n ALA 69 Cb 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 2kak n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kak n ALA 70 N 1.70 -1.45 -3.41 0.00 0.00 -1.26 -4.88 120.51 111.21 2kak n ALA 70 Ca 0.18 -0.17 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2kak n ALA 70 Cb 0.19 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 2kak n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kak n ASN 72 N 3.91 0.50 -4.56 0.00 6.94 -1.26 -4.47 115.26 116.31 2kak n ASN 72 Ca 0.12 -0.59 -0.47 0.00 -0.02 0.00 0.00 54.58 53.61 2kak n ASN 72 Cb 0.45 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.75 2kak n ASN 72 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kak h ALA 74 N 12.49 1.70 -1.00 0.00 0.00 -1.98 0.38 119.26 130.85 2kak h ALA 74 Ca -0.38 0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2kak h ALA 74 Cb 1.28 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 2kak h ALA 74 CO 0.98 -0.43 0.61 0.66 0.00 0.00 0.00 179.25 181.08 2kak h SER 75 N 0.39 0.85 0.61 0.00 4.64 -1.94 -0.49 113.55 117.60 2kak h SER 75 Ca 0.65 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 2kak h SER 75 Cb 1.34 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2kak h SER 75 CO -0.56 0.38 -1.07 0.00 -0.87 0.00 0.00 176.83 174.71 2kak h GLY 77 N 4.33 0.65 -5.00 0.00 0.00 0.72 -3.43 103.07 100.33 2kak h GLY 77 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 47.33 46.23 2kak h GLY 77 CO 0.00 0.51 1.05 -1.35 0.00 0.00 0.00 176.54 176.75 2kak s SER 78 N -6.25 6.55 -0.43 0.19 1.04 -0.85 -4.89 113.70 109.06 2kak s SER 78 Ca -0.13 2.56 0.08 0.00 0.48 0.00 0.00 55.95 58.94 2kak s SER 78 Cb 0.08 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.95 2kak s SER 78 CO 0.79 -0.93 0.87 0.00 0.98 0.00 0.00 173.24 174.95 2kak n ALA 79 N 5.84 0.44 -2.32 5.32 0.00 -1.26 -4.94 120.51 123.58 2kak n ALA 79 Ca 0.17 -2.34 -0.17 0.00 0.00 0.00 0.00 53.44 51.10 2kak n ALA 79 Cb 0.40 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 2kak n ALA 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kak s THR 80 N -0.70 1.54 -0.14 0.00 -4.23 -1.26 -4.85 115.64 106.00 2kak s THR 80 Ca 0.31 -2.16 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 2kak s THR 80 Cb 0.28 -2.00 0.12 0.00 1.34 0.00 0.00 72.50 72.23 2kak s THR 80 CO -0.10 -0.63 0.96 0.00 -0.54 0.00 0.00 174.62 174.31 2kak s ALA 81 N -3.09 -1.91 0.28 3.99 0.00 -1.26 -5.02 121.76 114.75 2kak s ALA 81 Ca 0.21 1.52 0.25 0.00 0.00 0.00 0.00 51.96 53.94 2kak s ALA 81 Cb 0.01 -0.55 1.17 0.00 0.00 0.00 0.00 23.12 23.74 2kak s ALA 81 CO 0.05 -0.35 1.94 -1.00 0.00 0.00 0.00 175.76 176.41 2kak h PRO 82 N 2.55 0.00 0.00 0.00 0.13 -2.04 -3.55 132.00 129.10 2kak h PRO 82 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kak h PRO 82 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kak h PRO 82 CO 0.32 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.68