#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkn s LYS 2 N 0.00 0.31 -0.54 1.64 2.47 -1.26 -5.00 119.74 117.36 1mkn s LYS 2 Ca 0.00 -0.75 -0.03 0.00 -1.56 0.00 0.00 55.97 53.64 1mkn s LYS 2 Cb 0.00 -1.24 0.21 0.00 -1.46 0.00 0.00 37.83 35.33 1mkn s LYS 2 CO 0.00 -1.06 2.35 1.63 0.16 0.00 0.00 175.35 178.43 1mkn n LYS 3 N 4.95 2.38 -4.22 4.03 5.02 -1.26 -4.80 118.16 124.26 1mkn n LYS 3 Ca -0.02 -2.55 -0.33 0.00 -2.02 0.00 0.00 58.31 53.40 1mkn n LYS 3 Cb 0.41 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.29 1mkn n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1mkn n ASP 4 N 0.22 -1.21 -4.52 4.39 8.00 -1.26 -4.58 116.55 117.59 1mkn n ASP 4 Ca 0.48 -1.11 -0.21 0.00 0.71 0.00 0.00 54.79 54.66 1mkn n ASP 4 Cb 0.51 -2.40 -0.16 0.00 -0.02 0.00 0.00 41.12 39.05 1mkn n ASP 4 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1mkn n LYS 5 N -4.39 0.22 0.12 -1.24 2.85 -1.26 -4.64 118.16 109.82 1mkn n LYS 5 Ca -0.13 -0.29 0.13 0.00 -1.05 0.00 0.00 58.31 56.98 1mkn n LYS 5 Cb 0.59 -2.02 0.41 0.00 -0.65 0.00 0.00 35.03 33.36 1mkn n LYS 5 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1mkn h VAL 6 N 7.32 0.00 -3.14 0.58 3.04 -1.98 -3.43 116.25 118.64 1mkn h VAL 6 Ca 0.01 -0.47 -0.58 0.00 -1.01 0.00 0.00 66.70 64.65 1mkn h VAL 6 Cb 1.10 1.44 -0.06 0.00 -2.01 0.00 0.00 31.29 31.76 1mkn h VAL 6 CO 1.39 0.00 0.70 -1.59 -1.01 0.00 0.00 177.57 177.06 1mkn s LYS 7 N -3.14 4.28 0.53 4.17 -2.85 -1.26 -4.80 119.74 116.66 1mkn s LYS 7 Ca 0.10 1.29 0.00 0.00 -1.00 0.00 0.00 55.97 56.36 1mkn s LYS 7 Cb 0.12 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 1mkn s LYS 7 CO 0.58 -0.55 0.00 0.36 0.10 0.00 0.00 175.35 175.83 1mkn n LYS 8 N 6.03 -3.49 0.00 1.78 2.85 -1.26 -4.98 118.16 119.09 1mkn n LYS 8 Ca 0.10 2.74 0.00 0.00 -1.05 0.00 0.00 58.31 60.10 1mkn n LYS 8 Cb 0.47 -3.58 0.00 0.00 -0.65 0.00 0.00 35.03 31.27 1mkn n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mkn n GLY 9 N -2.86 0.60 3.65 2.58 0.00 -1.26 -4.97 105.19 102.93 1mkn n GLY 9 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1mkn n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mkn s GLY 10 N 0.00 0.29 0.00 -0.02 0.00 -1.26 -5.12 107.32 101.21 1mkn s GLY 10 Ca 0.00 3.32 0.00 0.00 0.00 0.00 0.00 44.72 48.04 1mkn s GLY 10 CO 0.00 1.61 0.00 -1.55 0.00 0.00 0.00 173.10 173.16 1mkn n PRO 11 N 1.11 0.00 -1.92 2.90 -0.04 -1.26 -4.91 135.00 130.89 1mkn n PRO 11 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1mkn n PRO 11 Cb 0.58 -0.04 -0.01 0.00 -0.04 0.00 0.00 33.50 33.99 1mkn n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mkn n GLY 12 N 2.82 -3.62 3.03 0.55 0.00 -1.26 -4.83 105.19 101.88 1mkn n GLY 12 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1mkn n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mkn s SER 13 N -0.41 2.17 -0.24 1.61 1.04 -1.26 -4.96 113.70 111.66 1mkn s SER 13 Ca -0.06 -0.37 -0.28 0.00 0.48 0.00 0.00 55.95 55.73 1mkn s SER 13 Cb 0.00 -0.97 0.15 0.00 0.10 0.00 0.00 66.02 65.30 1mkn s SER 13 CO 0.29 0.01 1.15 -1.61 0.98 0.00 0.00 173.24 174.07 1mkn s GLU 14 N 0.92 0.37 -0.40 4.02 8.01 -1.26 -5.05 118.70 125.31 1mkn s GLU 14 Ca -0.09 0.23 -0.11 0.00 0.01 0.00 0.00 54.97 55.01 1mkn s GLU 14 Cb -0.15 0.18 0.01 0.00 -4.31 0.00 0.00 34.13 29.86 1mkn s GLU 14 CO 0.00 -0.09 0.51 0.00 0.01 0.00 0.00 175.26 175.69 1mkn h ALA 16 N 1.44 -0.43 -3.00 0.00 0.00 -2.02 -2.98 119.26 112.27 1mkn h ALA 16 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mkn h ALA 16 Cb 0.86 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1mkn h ALA 16 CO 0.18 -0.87 0.00 0.39 0.00 0.00 0.00 179.25 178.95 1mkn n GLU 17 N -5.41 0.00 -1.96 0.00 1.02 -1.26 -4.94 120.64 108.09 1mkn n GLU 17 Ca -0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1mkn n GLU 17 Cb 0.35 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 1mkn n GLU 17 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1mkn n TRP 18 N -0.08 -4.45 -1.55 -0.32 -0.00 -1.13 -4.29 117.44 105.63 1mkn n TRP 18 Ca 0.00 2.48 -0.14 0.00 -0.00 0.00 0.00 57.50 59.84 1mkn n TRP 18 Cb 0.00 -3.35 -0.09 0.00 -0.00 0.00 0.00 31.31 27.86 1mkn n TRP 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1mkn n ALA 19 N 1.17 0.42 -3.21 5.87 0.00 0.24 -4.83 120.51 120.17 1mkn n ALA 19 Ca 0.00 -1.40 -0.45 0.00 0.00 0.00 0.00 53.44 51.59 1mkn n ALA 19 Cb 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 19.45 16.25 1mkn n ALA 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1mkn s TRP 20 N 13.11 3.27 1.10 0.00 0.52 -1.26 -1.13 118.94 134.55 1mkn s TRP 20 Ca 0.95 -1.27 -0.12 0.00 0.02 0.00 0.00 56.10 55.68 1mkn s TRP 20 Cb -0.21 -3.54 0.23 0.00 -1.15 0.00 0.00 33.47 28.81 1mkn s TRP 20 CO 0.15 -0.94 0.96 0.41 0.02 0.00 0.00 176.95 177.54 1mkn n GLY 21 N 5.18 -1.64 3.60 0.98 0.00 -0.29 -4.76 105.19 108.26 1mkn n GLY 21 Ca -0.13 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1mkn n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mkn s PRO 22 N -4.36 -0.94 0.90 1.61 0.04 -1.26 -2.74 135.00 128.25 1mkn s PRO 22 Ca 0.67 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 1mkn s PRO 22 Cb -0.24 -1.62 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1mkn s PRO 22 CO 0.64 -3.55 1.26 0.00 0.04 0.00 0.00 177.00 175.39 1mkn s THR 24 N -3.75 -0.00 -1.23 0.00 2.01 -1.05 -4.86 115.64 106.75 1mkn s THR 24 Ca 0.69 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.51 1mkn s THR 24 Cb -0.07 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1mkn s THR 24 CO 0.51 0.00 1.91 -0.81 -0.69 0.00 0.00 174.62 175.55 1mkn n PRO 25 N 3.97 2.50 0.12 4.92 -0.04 -1.26 -3.87 135.00 141.35 1mkn n PRO 25 Ca -0.19 -2.76 0.17 0.00 -0.04 0.00 0.00 63.50 60.69 1mkn n PRO 25 Cb 0.58 -3.44 0.55 0.00 -0.04 0.00 0.00 33.50 31.15 1mkn n PRO 25 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1mkn h SER 26 N 7.85 0.00 0.00 3.54 0.87 -1.93 -3.37 113.55 120.50 1mkn h SER 26 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1mkn h SER 26 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1mkn h SER 26 CO 1.55 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 176.65 1mkn n SER 27 N -3.16 0.00 0.00 6.23 7.64 -1.26 -5.06 113.62 118.01 1mkn n SER 27 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1mkn n SER 27 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1mkn n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mkn n LYS 28 N 0.00 0.84 -0.50 1.43 4.76 -1.26 -4.94 118.16 118.49 1mkn n LYS 28 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1mkn n LYS 28 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1mkn n LYS 28 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mkn n ASP 29 N 0.00 0.73 0.00 4.39 2.03 -1.26 -4.72 116.55 117.72 1mkn n ASP 29 Ca 0.00 -2.33 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1mkn n ASP 29 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1mkn n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mkn n GLY 31 N 0.00 0.38 3.85 0.00 0.00 -1.23 -3.77 105.19 104.42 1mkn n GLY 31 Ca 0.00 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1mkn n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mkn s VAL 32 N 0.00 5.24 -0.30 1.61 0.11 -1.26 -3.18 120.40 122.62 1mkn s VAL 32 Ca 0.00 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1mkn s VAL 32 Cb 0.00 -3.36 0.19 0.00 -1.53 0.00 0.00 36.38 31.68 1mkn s VAL 32 CO 0.00 0.46 0.66 -0.83 -3.33 0.00 0.00 175.10 172.07 1mkn s GLY 33 N -1.47 -1.05 0.15 6.54 0.00 -0.27 -4.50 107.32 106.72 1mkn s GLY 33 Ca 0.21 1.64 -0.12 0.00 0.00 0.00 0.00 44.72 46.45 1mkn s GLY 33 CO 0.11 3.58 0.51 -0.11 0.00 0.00 0.00 173.10 177.19 1mkn s PHE 34 N 2.86 3.54 0.79 1.90 -0.12 -1.25 0.80 117.98 126.50 1mkn s PHE 34 Ca 0.15 0.93 -0.08 0.00 -0.05 0.00 0.00 56.93 57.88 1mkn s PHE 34 Cb -0.12 -2.28 0.17 0.00 -0.63 0.00 0.00 43.02 40.17 1mkn s PHE 34 CO -0.22 0.40 1.08 2.89 -0.05 0.00 0.00 175.22 179.32 1mkn n ARG 35 N 0.53 -0.62 -3.64 1.99 1.85 0.15 -2.54 116.66 114.39 1mkn n ARG 35 Ca -0.04 -2.22 -0.09 0.00 -1.00 0.00 0.00 57.85 54.50 1mkn n ARG 35 Cb 0.52 -0.93 -0.07 0.00 -1.05 0.00 0.00 32.46 30.93 1mkn n ARG 35 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1mkn s GLU 36 N -5.29 0.70 0.00 2.89 2.12 -1.11 -2.33 118.70 115.68 1mkn s GLU 36 Ca 0.66 1.05 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1mkn s GLU 36 Cb -0.03 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1mkn s GLU 36 CO 0.45 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 1mkn n GLY 37 N 3.58 1.86 3.11 -1.50 0.00 -0.84 -1.14 105.19 110.26 1mkn n GLY 37 Ca -0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1mkn n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mkn s THR 38 N 0.40 0.18 0.03 2.61 -4.23 -0.29 -2.39 115.64 111.95 1mkn s THR 38 Ca 0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1mkn s THR 38 Cb 0.00 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1mkn s THR 38 CO 0.00 -0.83 0.00 0.00 -0.54 0.00 0.00 174.62 173.25 1mkn n GLY 40 N 3.40 -0.18 0.35 0.00 0.00 -1.26 -4.78 105.19 102.72 1mkn n GLY 40 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1mkn n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkn n ALA 41 N -1.42 2.43 -2.75 4.61 0.00 -1.26 -4.99 120.51 117.13 1mkn n ALA 41 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1mkn n ALA 41 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1mkn n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mkn n GLN 42 N -0.89 3.22 0.00 0.00 6.02 -1.26 -5.17 117.38 119.31 1mkn n GLN 42 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1mkn n GLN 42 Cb 0.65 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.91 1mkn n GLN 42 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1mkn n THR 43 N 0.00 0.00 -3.74 5.09 -1.04 -1.26 -4.56 114.28 108.77 1mkn n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mkn n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mkn n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mkn n GLN 44 N -1.91 -1.24 -4.40 -2.82 -0.00 -1.01 -4.99 117.38 101.01 1mkn n GLN 44 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 1mkn n GLN 44 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 30.24 30.14 1mkn n GLN 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1mkn s ARG 45 N -1.48 1.48 -0.16 2.61 3.00 -1.26 -1.99 118.95 121.16 1mkn s ARG 45 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 55.73 53.89 1mkn s ARG 45 Cb 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 34.95 33.79 1mkn s ARG 45 CO 0.00 0.12 0.40 0.96 0.00 0.00 0.00 175.30 176.79 1mkn s ILE 46 N -2.94 -0.01 1.15 1.52 -0.00 -0.98 -4.94 121.20 114.99 1mkn s ILE 46 Ca 0.27 0.02 -0.16 0.00 -0.00 0.00 0.00 60.65 60.78 1mkn s ILE 46 Cb 0.01 -0.57 0.26 0.00 -0.00 0.00 0.00 42.46 42.16 1mkn s ILE 46 CO 0.10 0.01 1.07 -0.13 -0.00 0.00 0.00 174.94 175.99 1mkn s ARG 47 N 0.49 -0.76 -0.29 0.37 0.52 -1.26 0.29 118.95 118.31 1mkn s ARG 47 Ca -0.02 0.31 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 1mkn s ARG 47 Cb -0.04 -1.62 0.18 0.00 0.52 0.00 0.00 34.95 33.99 1mkn s ARG 47 CO -0.03 -3.48 1.17 0.00 0.02 0.00 0.00 175.30 172.98 1mkn n ARG 49 N 2.95 -0.90 -3.76 0.00 5.12 -1.26 -1.11 116.66 117.69 1mkn n ARG 49 Ca -0.16 -0.20 -0.14 0.00 -1.93 0.00 0.00 57.85 55.42 1mkn n ARG 49 Cb 0.57 -2.33 -0.15 0.00 -1.16 0.00 0.00 32.46 29.39 1mkn n ARG 49 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1mkn s VAL 50 N -2.59 -0.05 0.00 1.55 1.01 -1.19 -4.75 120.40 114.38 1mkn s VAL 50 Ca 0.67 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1mkn s VAL 50 Cb -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1mkn s VAL 50 CO 0.60 0.07 1.51 -0.81 0.00 0.00 0.00 175.10 176.47 1mkn n PRO 51 N 4.06 0.96 -4.07 2.72 -0.04 -1.26 -3.58 135.00 133.79 1mkn n PRO 51 Ca -0.25 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.76 1mkn n PRO 51 Cb 0.52 -1.02 0.02 0.00 -0.04 0.00 0.00 33.50 32.98 1mkn n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mkn n ASN 53 N -2.02 4.73 -0.39 0.00 5.03 -1.26 -4.60 115.26 116.75 1mkn n ASN 53 Ca -0.12 -3.12 0.31 0.00 0.87 0.00 0.00 54.58 52.52 1mkn n ASN 53 Cb 0.54 -0.83 0.59 0.00 -1.02 0.00 0.00 39.78 39.05 1mkn n ASN 53 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 1mkn h TRP 54 N 1.01 0.60 0.00 3.10 5.08 -1.86 0.17 115.95 124.05 1mkn h TRP 54 Ca 0.40 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.40 1mkn h TRP 54 Cb 1.71 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.71 1mkn h TRP 54 CO 1.01 -0.11 -0.63 1.17 -1.28 0.00 0.00 178.44 178.61 1mkn n LYS 55 N -4.70 2.75 -0.73 0.12 0.00 -1.26 -4.96 118.16 109.38 1mkn n LYS 55 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.63 1mkn n LYS 55 Cb 1.19 -1.10 0.00 0.00 0.00 0.00 0.00 35.03 35.12 1mkn n LYS 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1mkn n LYS 56 N -1.32 -0.36 0.00 1.64 4.01 0.59 -4.56 118.16 118.17 1mkn n LYS 56 Ca 0.02 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1mkn n LYS 56 Cb 0.20 -4.05 0.00 0.00 -0.51 0.00 0.00 35.03 30.67 1mkn n LYS 56 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1mkn n GLU 57 N -1.54 0.00 -2.33 1.97 1.02 -1.26 -5.05 120.64 113.45 1mkn n GLU 57 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1mkn n GLU 57 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.48 1mkn n GLU 57 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1mkn s PHE 58 N 0.00 2.37 0.00 -0.32 5.36 -1.26 -5.19 117.98 118.94 1mkn s PHE 58 Ca 0.00 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1mkn s PHE 58 Cb 0.00 -4.40 0.00 0.00 -0.34 0.00 0.00 43.02 38.28 1mkn s PHE 58 CO 0.00 -1.55 0.00 0.41 -1.46 0.00 0.00 175.22 172.62