#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely n SER 2 N 0.00 -4.63 -4.09 1.61 2.88 -1.26 -4.99 113.62 103.15 2ely n SER 2 Ca 0.00 -0.43 -0.35 0.00 -1.33 0.00 0.00 58.87 56.76 2ely n SER 2 Cb 0.00 -4.01 -0.12 0.00 -0.75 0.00 0.00 64.21 59.33 2ely n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ely s SER 3 N -3.43 5.12 0.00 -3.46 0.15 -1.26 -5.02 113.70 105.81 2ely s SER 3 Ca 0.35 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.68 2ely s SER 3 Cb -0.15 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2ely s SER 3 CO 0.56 -0.46 0.37 0.61 1.20 0.00 0.00 173.24 175.52 2ely n GLY 4 N 4.17 -2.55 2.70 9.45 0.00 -1.26 -4.87 105.19 112.83 2ely n GLY 4 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2ely n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ely s SER 5 N -1.93 1.03 -0.20 1.61 0.15 -1.26 -5.03 113.70 108.06 2ely s SER 5 Ca 0.00 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 2ely s SER 5 Cb 0.00 -0.08 -0.20 0.00 -1.71 0.00 0.00 66.02 64.03 2ely s SER 5 CO 0.00 -0.24 0.02 -1.54 1.20 0.00 0.00 173.24 172.68 2ely n SER 6 N 5.24 2.03 0.00 5.45 3.41 -1.26 -5.07 113.62 123.42 2ely n SER 6 Ca -0.05 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2ely n SER 6 Cb 0.50 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2ely n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ely n GLY 7 N 2.01 2.36 3.64 5.00 0.00 -1.26 -5.05 105.19 111.89 2ely n GLY 7 Ca -0.40 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2ely n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ely s THR 8 N 0.00 3.49 0.00 2.61 -1.32 -1.26 -4.23 115.64 114.94 2ely s THR 8 Ca 0.00 0.57 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 2ely s THR 8 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 2ely s THR 8 CO 0.00 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2ely n GLY 9 N 4.69 0.18 3.26 6.08 0.00 -1.26 -5.13 105.19 113.01 2ely n GLY 9 Ca 0.20 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2ely n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ely n GLU 10 N 0.00 -1.63 -3.42 1.61 0.28 -1.26 -4.94 120.64 111.28 2ely n GLU 10 Ca 0.00 -0.46 -0.39 0.00 -0.16 0.00 0.00 57.16 56.14 2ely n GLU 10 Cb 0.00 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.10 2ely n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2ely s LYS 11 N -3.41 3.85 0.11 3.44 3.01 -1.26 -4.97 119.74 120.51 2ely s LYS 11 Ca 0.55 -0.17 -0.14 0.00 -1.01 0.00 0.00 55.97 55.20 2ely s LYS 11 Cb -0.11 -3.71 -0.07 0.00 -1.01 0.00 0.00 37.83 32.93 2ely s LYS 11 CO 0.65 -0.35 1.43 -1.00 0.51 0.00 0.00 175.35 176.60 2ely h PRO 12 N 8.31 0.76 -6.16 -1.68 0.13 -1.92 -3.43 132.00 128.00 2ely h PRO 12 Ca -0.31 -0.40 -0.57 0.00 -0.87 0.00 0.00 66.00 63.85 2ely h PRO 12 Cb 1.16 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2ely h PRO 12 CO 0.65 1.02 0.72 -0.06 -0.23 0.00 0.00 178.00 180.10 2ely s PHE 13 N -4.38 3.35 -0.03 1.56 0.08 -1.26 -4.98 117.98 112.33 2ely s PHE 13 Ca -0.12 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.42 2ely s PHE 13 Cb 0.09 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2ely s PHE 13 CO 0.84 -0.53 -0.10 0.15 -0.10 0.00 0.00 175.22 175.48 2ely s LYS 14 N 2.76 1.06 0.10 0.44 1.02 -1.26 -0.60 119.74 123.26 2ely s LYS 14 Ca 0.47 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.82 2ely s LYS 14 Cb -0.17 -0.98 -0.09 0.00 -0.52 0.00 0.00 37.83 36.07 2ely s LYS 14 CO 0.12 0.12 1.74 0.00 -0.92 0.00 0.00 175.35 176.40 2ely n VAL 16 N 4.71 0.00 -0.05 0.00 3.14 -1.26 0.11 118.33 124.97 2ely n VAL 16 Ca 0.17 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.48 2ely n VAL 16 Cb 0.39 -0.13 -0.06 0.00 -1.06 0.00 0.00 33.84 32.98 2ely n VAL 16 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ely n GLU 17 N -0.56 0.98 0.00 1.45 1.02 -1.26 -4.84 120.64 117.43 2ely n GLU 17 Ca 0.03 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2ely n GLU 17 Cb 0.01 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ely n GLY 19 N 2.16 1.51 1.56 0.00 0.00 0.30 -4.97 105.19 105.75 2ely n GLY 19 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 2ely n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ely n LYS 20 N -1.09 -2.97 -3.86 1.61 4.81 -1.26 -4.55 118.16 110.85 2ely n LYS 20 Ca 0.00 -0.74 -0.25 0.00 -0.87 0.00 0.00 58.31 56.46 2ely n LYS 20 Cb 0.12 -0.87 -0.17 0.00 0.02 0.00 0.00 35.03 34.14 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2ely s GLY 21 N -2.81 0.63 0.50 3.14 0.00 -1.26 -3.21 107.32 104.32 2ely s GLY 21 Ca 0.33 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2ely s GLY 21 CO 0.26 0.95 0.05 0.69 0.00 0.00 0.00 173.10 175.06 2ely n PHE 22 N 4.99 0.91 -0.01 1.90 3.01 0.23 -5.01 117.46 123.49 2ely n PHE 22 Ca -0.10 -2.40 0.02 0.00 1.01 0.00 0.00 57.45 55.97 2ely n PHE 22 Cb 0.50 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 2ely n PHE 22 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ely n SER 23 N -1.37 3.93 -2.52 4.37 3.41 -1.26 -4.06 113.62 116.13 2ely n SER 23 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 2ely n SER 23 Cb 0.62 1.11 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 2ely n SER 23 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2ely n ARG 24 N -1.75 0.40 -0.06 4.33 1.85 -1.26 -4.91 116.66 115.26 2ely n ARG 24 Ca -0.02 -2.01 -0.08 0.00 -1.00 0.00 0.00 57.85 54.74 2ely n ARG 24 Cb 0.21 1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 33.01 2ely n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ely h ARG 25 N 0.00 -0.01 -0.19 2.89 3.08 -1.99 -3.30 114.38 114.87 2ely h ARG 25 Ca -0.16 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.94 2ely h ARG 25 Cb 0.72 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 2ely h ARG 25 CO 0.24 0.56 -0.40 1.03 -1.07 0.00 0.00 179.97 180.33 2ely h SER 26 N -1.00 -1.25 -1.25 7.04 0.87 -1.98 0.43 113.55 116.41 2ely h SER 26 Ca -0.00 0.18 0.37 0.00 -1.23 0.00 0.00 61.79 61.11 2ely h SER 26 Cb 0.57 0.52 -0.10 0.00 -0.44 0.00 0.00 62.40 62.96 2ely h SER 26 CO 0.00 -0.40 0.83 0.00 -0.53 0.00 0.00 176.83 176.73 2ely h ALA 27 N 0.26 2.71 0.07 6.23 0.00 -2.00 0.65 119.26 127.19 2ely h ALA 27 Ca 0.09 0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 2ely h ALA 27 Cb 0.60 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ely h ALA 27 CO -0.42 -1.21 -1.50 1.25 0.00 0.00 0.00 179.25 177.36 2ely h LEU 28 N 0.17 0.24 -0.99 0.00 5.85 -0.92 -3.18 115.31 116.48 2ely h LEU 28 Ca 0.71 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 2ely h LEU 28 Cb 2.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 43.18 2ely h LEU 28 CO -0.28 1.30 -0.19 0.78 -0.34 0.00 0.00 178.44 179.71 2ely h ASN 29 N 0.04 0.49 -0.13 1.25 2.35 0.44 -2.51 115.58 117.52 2ely h ASN 29 Ca -0.22 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.29 2ely h ASN 29 Cb 1.97 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2ely h ASN 29 CO 0.13 0.70 -0.26 1.62 -1.65 0.00 0.00 177.43 177.97 2ely h VAL 30 N 0.45 1.37 0.00 2.81 3.04 -0.73 -3.05 116.25 120.14 2ely h VAL 30 Ca 0.07 -1.53 -0.01 0.00 -1.01 0.00 0.00 66.70 64.23 2ely h VAL 30 Cb 0.59 2.03 -0.00 0.00 -2.01 0.00 0.00 31.29 31.90 2ely h VAL 30 CO 0.04 0.45 -0.04 -0.74 -1.01 0.00 0.00 177.57 176.27 2ely h HIS 31 N 0.01 0.00 -0.47 3.17 -0.00 -1.51 -2.36 115.15 113.99 2ely h HIS 31 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2ely h HIS 31 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 2ely h HIS 31 CO 0.10 0.04 0.23 0.45 -0.00 0.00 0.00 177.93 178.76 2ely h HIS 32 N 0.00 0.66 -0.27 5.26 -0.00 -1.33 -1.97 115.15 117.50 2ely h HIS 32 Ca -0.00 -0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.42 2ely h HIS 32 Cb 0.12 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 2ely h HIS 32 CO 0.00 0.52 0.36 0.87 -0.00 0.00 0.00 177.93 179.68 2ely h LYS 33 N 0.61 0.00 -0.45 2.45 6.56 -1.49 0.95 116.57 125.20 2ely h LYS 33 Ca 0.16 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.63 2ely h LYS 33 Cb 0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 2ely h LYS 33 CO -0.02 0.00 -0.20 -0.07 -2.06 0.00 0.00 179.45 177.10 2ely h LEU 34 N 0.00 0.92 0.27 2.94 3.38 -1.46 -3.27 115.31 118.09 2ely h LEU 34 Ca 0.13 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2ely h LEU 34 Cb 0.84 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2ely h LEU 34 CO -0.00 1.09 -0.13 0.45 0.09 0.00 0.00 178.44 179.95 2ely h HIS 35 N 0.79 -0.33 -3.30 1.13 3.86 -0.87 -3.43 115.15 113.00 2ely h HIS 35 Ca 0.11 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.75 2ely h HIS 35 Cb 0.75 0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 2ely h HIS 35 CO 0.05 0.03 0.45 -0.08 0.86 0.00 0.00 177.93 179.23 2ely s THR 36 N -3.90 4.85 0.00 2.45 -1.32 -1.05 -4.62 115.64 112.04 2ely s THR 36 Ca -0.13 1.86 0.00 0.00 -1.21 0.00 0.00 61.69 62.21 2ely s THR 36 Cb 0.01 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 2ely s THR 36 CO 0.47 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 2ely n GLY 37 N 3.19 -1.81 3.78 6.08 0.00 -1.26 -4.73 105.19 110.45 2ely n GLY 37 Ca 0.06 0.61 -0.39 0.00 0.00 0.00 0.00 46.02 46.30 2ely n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ely s GLU 38 N 0.00 4.45 0.11 1.61 2.02 -1.26 -5.08 118.70 120.56 2ely s GLU 38 Ca 0.00 1.02 0.06 0.00 0.02 0.00 0.00 54.97 56.08 2ely s GLU 38 Cb 0.00 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2ely s GLU 38 CO 0.00 0.57 -0.15 -1.59 0.02 0.00 0.00 175.26 174.10 2ely s LYS 39 N -1.04 1.01 0.05 1.61 0.00 -1.26 -5.06 119.74 115.04 2ely s LYS 39 Ca 0.34 -1.17 -0.19 0.00 0.00 0.00 0.00 55.97 54.94 2ely s LYS 39 Cb -0.22 -0.99 -0.13 0.00 0.00 0.00 0.00 37.83 36.49 2ely s LYS 39 CO 0.24 0.20 1.36 -1.00 0.00 0.00 0.00 175.35 176.15 2ely h PRO 40 N 3.76 0.41 -2.84 1.78 0.13 -2.07 -3.39 132.00 129.78 2ely h PRO 40 Ca -0.41 -0.21 -0.61 0.00 -0.87 0.00 0.00 66.00 63.90 2ely h PRO 40 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2ely h PRO 40 CO 0.47 0.77 -0.76 -1.12 -0.23 0.00 0.00 178.00 177.13 2ely s SER 41 N -6.18 3.34 0.37 1.44 0.01 -1.26 -5.11 113.70 106.31 2ely s SER 41 Ca -0.14 -3.00 0.08 0.00 1.31 0.00 0.00 55.95 54.20 2ely s SER 41 Cb 0.06 -1.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.22 2ely s SER 41 CO 0.76 -0.20 -0.03 -0.83 0.41 0.00 0.00 173.24 173.35 2ely s GLY 42 N -0.11 2.30 -0.30 3.44 0.00 -1.26 -5.08 107.32 106.31 2ely s GLY 42 Ca 0.23 -2.16 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 2ely s GLY 42 CO -0.09 -2.03 1.67 2.56 0.00 0.00 0.00 173.10 175.21 2ely s PRO 43 N -3.68 3.55 -0.23 2.90 0.04 -1.26 -4.94 135.00 131.38 2ely s PRO 43 Ca 0.34 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2ely s PRO 43 Cb 0.05 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 2ely s PRO 43 CO 0.18 -1.60 1.90 -1.54 0.04 0.00 0.00 177.00 175.98 2ely s SER 44 N 5.04 5.93 0.49 6.66 1.04 -1.26 -4.98 113.70 126.62 2ely s SER 44 Ca 0.74 1.71 0.08 0.00 0.48 0.00 0.00 55.95 58.95 2ely s SER 44 Cb -0.22 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.40 2ely s SER 44 CO 0.32 -1.61 0.50 -0.94 0.98 0.00 0.00 173.24 172.49 2ely s SER 45 N 6.15 5.01 0.00 7.02 1.04 -1.26 -5.35 113.70 126.32 2ely s SER 45 Ca 0.85 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2ely s SER 45 Cb -0.28 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2ely s SER 45 CO 0.34 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.22