#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx n SER 2 N 0.00 0.00 -2.90 1.61 3.41 -1.26 -5.13 113.62 109.35 2bbx n SER 2 Ca 0.00 -1.18 -0.14 0.00 -0.26 0.00 0.00 58.87 57.29 2bbx n SER 2 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2bbx n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbx n ALA 3 N 0.00 -0.24 -2.25 7.33 0.00 -1.26 -5.20 120.51 118.89 2bbx n ALA 3 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 53.44 51.74 2bbx n ALA 3 Cb 0.54 1.25 -0.10 0.00 0.00 0.00 0.00 19.45 21.14 2bbx n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bbx s SER 4 N -3.06 1.42 0.00 0.00 1.04 -1.26 -5.09 113.70 106.75 2bbx s SER 4 Ca 0.28 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2bbx s SER 4 Cb -0.01 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2bbx s SER 4 CO 0.20 -0.51 0.93 0.00 0.98 0.00 0.00 173.24 174.84 2bbx n GLY 6 N 0.00 0.35 3.17 0.00 0.00 -1.26 -1.05 105.19 106.39 2bbx n GLY 6 Ca 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 2bbx n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bbx s VAL 7 N -0.30 0.59 0.85 1.61 -7.23 -1.26 -5.06 120.40 109.60 2bbx s VAL 7 Ca 0.00 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.13 2bbx s VAL 7 Cb 0.00 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.31 2bbx s VAL 7 CO 0.00 -0.82 1.14 0.26 -0.31 0.00 0.00 175.10 175.37 2bbx s TRP 8 N -3.70 2.74 0.00 2.82 0.52 -1.26 -4.60 118.94 115.46 2bbx s TRP 8 Ca 0.13 0.87 0.00 0.00 0.02 0.00 0.00 56.10 57.12 2bbx s TRP 8 Cb 0.06 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 29.00 2bbx s TRP 8 CO -0.04 -2.04 0.00 -3.47 0.02 0.00 0.00 176.95 171.42 2bbx n ASP 9 N -3.54 0.46 -4.76 2.95 2.03 -1.23 -5.04 116.55 107.41 2bbx n ASP 9 Ca 0.07 -0.69 -0.37 0.00 0.52 0.00 0.00 54.79 54.32 2bbx n ASP 9 Cb 0.59 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bbx s GLU 10 N -0.58 3.34 0.78 -0.67 2.02 -1.26 -4.93 118.70 117.40 2bbx s GLU 10 Ca 0.00 1.98 -0.11 0.00 0.02 0.00 0.00 54.97 56.86 2bbx s GLU 10 Cb 0.00 -2.25 0.06 0.00 0.10 0.00 0.00 34.13 32.04 2bbx s GLU 10 CO 0.00 -0.95 1.08 -1.58 0.02 0.00 0.00 175.26 173.83 2bbx s TRP 11 N -1.45 2.70 0.35 1.61 0.52 -1.26 -4.74 118.94 116.67 2bbx s TRP 11 Ca 0.70 1.41 0.03 0.00 0.02 0.00 0.00 56.10 58.25 2bbx s TRP 11 Cb -0.34 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2bbx s TRP 11 CO 0.40 -1.76 0.53 -1.12 0.02 0.00 0.00 176.95 175.01 2bbx s SER 12 N -3.57 6.12 0.80 2.95 0.01 -0.39 -5.02 113.70 114.60 2bbx s SER 12 Ca 0.61 0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.96 2bbx s SER 12 Cb -0.16 -1.71 0.08 0.00 0.21 0.00 0.00 66.02 64.43 2bbx s SER 12 CO 0.56 -0.38 1.12 -2.16 0.41 0.00 0.00 173.24 172.79 2bbx s PRO 13 N -4.28 1.91 0.51 12.44 0.04 -1.26 -4.48 135.00 139.87 2bbx s PRO 13 Ca 0.42 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 2bbx s PRO 13 Cb -0.10 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2bbx s PRO 13 CO 0.34 -1.93 1.29 0.00 0.04 0.00 0.00 177.00 176.74 2bbx n SER 15 N -0.76 0.00 -3.97 0.00 3.41 -0.58 -4.84 113.62 106.88 2bbx n SER 15 Ca 0.09 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 2bbx n SER 15 Cb 0.46 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 2bbx n SER 15 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2bbx s VAL 16 N -2.62 0.01 -0.15 -3.33 -7.23 -1.26 -4.97 120.40 100.85 2bbx s VAL 16 Ca 0.13 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.51 2bbx s VAL 16 Cb 0.10 -2.50 0.43 0.00 0.56 0.00 0.00 36.38 34.96 2bbx s VAL 16 CO 0.22 0.00 1.17 1.07 -0.31 0.00 0.00 175.10 177.25 2bbx n THR 17 N -0.37 0.58 0.00 5.32 5.66 -1.26 -4.77 114.28 119.43 2bbx n THR 17 Ca 0.03 -1.79 0.00 0.00 -3.05 0.00 0.00 64.05 59.24 2bbx n THR 17 Cb 0.65 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.53 2bbx n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bbx n GLY 19 N 0.00 1.96 3.77 0.00 0.00 -1.26 -4.43 105.19 105.23 2bbx n GLY 19 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2bbx n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbx s LYS 20 N 2.46 4.12 0.00 1.61 1.02 -1.26 -3.38 119.74 124.30 2bbx s LYS 20 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2bbx s LYS 20 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2bbx s LYS 20 CO 0.00 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2bbx n GLY 21 N 0.50 3.14 3.06 -3.33 0.00 -0.36 -4.92 105.19 103.29 2bbx n GLY 21 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2bbx n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbx s THR 22 N -1.72 0.49 0.39 2.61 -4.23 -1.26 -1.15 115.64 110.76 2bbx s THR 22 Ca 0.00 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 2bbx s THR 22 Cb 0.00 -0.60 -0.07 0.00 1.34 0.00 0.00 72.50 73.17 2bbx s THR 22 CO 0.00 -0.41 -0.02 0.00 -0.54 0.00 0.00 174.62 173.65 2bbx s ARG 23 N -1.63 1.90 0.21 3.99 1.70 0.09 -1.53 118.95 123.67 2bbx s ARG 23 Ca -0.10 -2.05 -0.10 0.00 -0.47 0.00 0.00 55.73 53.01 2bbx s ARG 23 Cb -0.10 -1.61 -0.01 0.00 -0.57 0.00 0.00 34.95 32.66 2bbx s ARG 23 CO 0.00 -0.00 0.36 -1.54 -1.08 0.00 0.00 175.30 173.04 2bbx s SER 24 N -3.67 -0.02 0.18 -2.89 1.04 -1.26 -1.63 113.70 105.45 2bbx s SER 24 Ca 0.34 -0.96 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 2bbx s SER 24 Cb 0.08 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.74 2bbx s SER 24 CO 0.17 -1.01 0.52 0.00 0.98 0.00 0.00 173.24 173.91 2bbx s ARG 25 N -4.02 1.33 0.18 4.02 1.70 -1.11 -1.26 118.95 119.80 2bbx s ARG 25 Ca 0.23 -0.78 0.04 0.00 -0.47 0.00 0.00 55.73 54.74 2bbx s ARG 25 Cb 0.02 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 2bbx s ARG 25 CO 0.06 -0.56 -0.06 0.15 -1.08 0.00 0.00 175.30 173.81 2bbx s LYS 26 N -3.84 1.16 0.14 3.89 1.02 -1.26 -2.39 119.74 118.46 2bbx s LYS 26 Ca 0.07 -1.54 -0.14 0.00 0.02 0.00 0.00 55.97 54.38 2bbx s LYS 26 Cb -0.01 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.74 2bbx s LYS 26 CO -0.06 -0.01 0.37 -0.98 -0.92 0.00 0.00 175.35 173.75 2bbx s ARG 27 N -3.81 1.12 -1.13 1.68 1.70 -1.02 -3.58 118.95 113.91 2bbx s ARG 27 Ca 0.22 -0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 54.45 2bbx s ARG 27 Cb 0.04 0.44 0.19 0.00 -0.57 0.00 0.00 34.95 35.05 2bbx s ARG 27 CO 0.04 -0.43 1.30 -1.21 -1.08 0.00 0.00 175.30 173.92 2bbx s GLU 28 N -3.86 4.03 0.20 3.89 2.02 -1.26 -4.83 118.70 118.88 2bbx s GLU 28 Ca 0.08 -2.60 -0.32 0.00 0.02 0.00 0.00 54.97 52.14 2bbx s GLU 28 Cb 0.02 -4.91 -0.15 0.00 0.10 0.00 0.00 34.13 29.19 2bbx s GLU 28 CO -0.07 -1.64 1.33 0.44 0.02 0.00 0.00 175.26 175.34 2bbx n ILE 29 N 4.31 0.76 0.22 -1.63 -5.35 -1.26 -4.85 119.36 111.56 2bbx n ILE 29 Ca 0.31 -0.19 0.10 0.00 -0.27 0.00 0.00 62.75 62.70 2bbx n ILE 29 Cb 0.43 -1.20 0.41 0.00 -1.74 0.00 0.00 39.64 37.53 2bbx n ILE 29 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2bbx h LEU 30 N 4.10 0.00 -8.03 7.28 3.38 -1.48 -3.46 115.31 117.10 2bbx h LEU 30 Ca -0.45 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 2bbx h LEU 30 Cb 1.30 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.88 2bbx h LEU 30 CO 0.75 0.23 -0.61 -1.00 0.09 0.00 0.00 178.44 177.90 2bbx s HIS 31 N -3.55 0.32 0.55 1.13 3.76 -1.26 -5.09 115.29 111.14 2bbx s HIS 31 Ca 0.01 -0.70 -0.20 0.00 -0.15 0.00 0.00 55.06 54.02 2bbx s HIS 31 Cb 0.10 -0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 2bbx s HIS 31 CO 0.65 -0.34 1.20 -2.00 -0.85 0.00 0.00 174.74 173.40 2bbx s GLU 32 N -2.85 3.25 0.00 1.40 2.56 -1.26 -3.69 118.70 118.11 2bbx s GLU 32 Ca -0.03 1.82 0.00 0.00 0.00 0.00 0.00 54.97 56.76 2bbx s GLU 32 Cb 0.00 -2.10 0.00 0.00 2.00 0.00 0.00 34.13 34.04 2bbx s GLU 32 CO -0.06 -0.98 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 2bbx n GLY 33 N 0.45 2.80 3.76 -1.50 0.00 -1.26 -5.05 105.19 104.39 2bbx n GLY 33 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2bbx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbx s THR 35 N -1.88 3.00 0.00 0.00 2.01 -1.26 -4.93 115.64 112.59 2bbx s THR 35 Ca 0.73 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.47 2bbx s THR 35 Cb -0.26 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2bbx s THR 35 CO 0.36 0.07 0.62 -1.54 -0.69 0.00 0.00 174.62 173.44 2bbx n SER 36 N 3.70 1.11 -3.68 3.53 3.41 -1.26 -4.87 113.62 115.56 2bbx n SER 36 Ca 0.11 -1.37 -0.10 0.00 -0.26 0.00 0.00 58.87 57.25 2bbx n SER 36 Cb 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 2bbx n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2bbx s GLU 37 N -0.37 0.54 0.22 4.33 2.12 -1.26 -2.43 118.70 121.85 2bbx s GLU 37 Ca 0.00 0.89 -0.03 0.00 0.36 0.00 0.00 54.97 56.19 2bbx s GLU 37 Cb 0.00 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 2bbx s GLU 37 CO 0.00 -0.13 0.21 0.96 -0.54 0.00 0.00 175.26 175.76 2bbx s ILE 38 N 1.17 0.00 0.09 -3.70 -5.25 -1.01 -5.04 121.20 107.46 2bbx s ILE 38 Ca -0.07 -1.87 -0.03 0.00 -0.99 0.00 0.00 60.65 57.69 2bbx s ILE 38 Cb -0.06 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.88 2bbx s ILE 38 CO -0.11 0.00 0.06 -1.10 -1.79 0.00 0.00 174.94 172.00 2bbx s GLN 39 N -4.10 0.79 0.18 0.37 -0.21 -1.26 -2.73 119.66 112.69 2bbx s GLN 39 Ca 0.35 -1.23 -0.14 0.00 0.02 0.00 0.00 55.36 54.36 2bbx s GLN 39 Cb 0.05 0.26 0.02 0.00 1.00 0.00 0.00 33.01 34.33 2bbx s GLN 39 CO 0.12 -0.21 0.43 -1.83 -2.12 0.00 0.00 175.29 171.68 2bbx s GLU 40 N -3.95 1.27 0.65 2.91 -1.05 -0.65 -5.00 118.70 112.88 2bbx s GLU 40 Ca 0.12 -0.96 -0.17 0.00 -0.15 0.00 0.00 54.97 53.82 2bbx s GLU 40 Cb 0.07 0.46 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2bbx s GLU 40 CO -0.06 -0.51 1.20 -0.65 0.95 0.00 0.00 175.26 176.18 2bbx s GLN 41 N -3.90 2.63 0.15 -4.83 1.11 -1.26 -0.73 119.66 112.82 2bbx s GLN 41 Ca 0.11 1.75 -0.06 0.00 0.01 0.00 0.00 55.36 57.17 2bbx s GLN 41 Cb 0.01 -1.89 -0.02 0.00 -1.01 0.00 0.00 33.01 30.09 2bbx s GLN 41 CO -0.03 -1.46 0.20 0.00 0.01 0.00 0.00 175.29 174.01 2bbx s GLU 43 N -3.99 0.56 0.28 0.00 2.02 -1.26 -1.22 118.70 115.09 2bbx s GLU 43 Ca 0.19 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.40 2bbx s GLU 43 Cb 0.05 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 2bbx s GLU 43 CO 0.00 -0.13 0.26 -1.21 0.02 0.00 0.00 175.26 174.20 2bbx s GLU 44 N -2.65 1.56 1.35 1.61 0.41 -1.22 -5.00 118.70 114.76 2bbx s GLU 44 Ca -0.05 -1.80 -0.20 0.00 -0.41 0.00 0.00 54.97 52.52 2bbx s GLU 44 Cb -0.01 0.33 0.34 0.00 -1.78 0.00 0.00 34.13 33.01 2bbx s GLU 44 CO -0.05 -0.57 0.96 -1.21 -0.49 0.00 0.00 175.26 173.90 2bbx s GLU 45 N -3.69 -2.35 0.55 1.61 2.02 -1.26 -4.47 118.70 111.11 2bbx s GLU 45 Ca 0.38 0.32 -0.20 0.00 0.02 0.00 0.00 54.97 55.48 2bbx s GLU 45 Cb 0.04 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.77 2bbx s GLU 45 CO 0.20 -4.54 0.93 0.54 0.02 0.00 0.00 175.26 172.41 2bbx n ARG 46 N -5.42 0.99 -1.55 1.61 5.12 -1.26 -3.41 116.66 112.74 2bbx n ARG 46 Ca 0.10 0.38 -0.37 0.00 -1.93 0.00 0.00 57.85 56.02 2bbx n ARG 46 Cb 0.58 -2.09 0.07 0.00 -1.16 0.00 0.00 32.46 29.87 2bbx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bbx s PRO 48 N -3.14 1.66 0.00 0.00 0.04 -1.26 -5.02 135.00 127.28 2bbx s PRO 48 Ca 0.77 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2bbx s PRO 48 Cb -0.38 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2bbx s PRO 48 CO 0.46 -1.95 0.19 -2.30 0.04 0.00 0.00 177.00 173.44