#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 s GLU 2 N 0.00 0.01 0.00 -1.24 -1.05 -1.26 -5.01 118.70 110.16 1ss3 s GLU 2 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1ss3 s GLU 2 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1ss3 s GLU 2 CO 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 175.26 176.21 1ss3 n ALA 3 N 4.51 0.00 -0.26 -0.84 0.00 -1.26 -4.87 120.51 117.79 1ss3 n ALA 3 Ca -0.06 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.70 1ss3 n ALA 3 Cb 0.56 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.74 1ss3 n ALA 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ss3 h GLN 4 N 0.00 0.00 0.10 0.00 3.07 -1.99 0.29 115.11 116.58 1ss3 h GLN 4 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 1ss3 h GLN 4 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1ss3 h GLN 4 CO 0.00 0.00 -1.40 0.35 0.09 0.00 0.00 178.83 177.87 1ss3 h PHE 5 N 0.00 0.39 -0.22 0.06 3.04 -1.97 -3.10 116.94 115.13 1ss3 h PHE 5 Ca 0.51 -0.29 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1ss3 h PHE 5 Cb 2.12 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.61 1ss3 h PHE 5 CO 0.00 1.55 0.20 -0.22 -2.02 0.00 0.00 178.31 177.82 1ss3 h LYS 6 N -0.36 0.00 0.07 1.11 1.63 -0.91 0.28 116.57 118.39 1ss3 h LYS 6 Ca -0.31 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.23 1ss3 h LYS 6 Cb 1.72 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.33 1ss3 h LYS 6 CO 0.04 0.00 -1.28 1.49 -3.45 0.00 0.00 179.45 176.25 1ss3 h GLU 7 N 0.00 0.15 -0.11 1.90 4.57 -0.85 -1.85 114.58 118.39 1ss3 h GLU 7 Ca 0.11 -0.26 -0.16 0.00 -1.18 0.00 0.00 59.36 57.86 1ss3 h GLU 7 Cb 0.51 0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1ss3 h GLU 7 CO -0.00 1.06 -0.55 0.00 -1.18 0.00 0.00 179.01 178.34 1ss3 h TYR 9 N 0.20 -0.19 0.19 0.00 5.03 -0.60 0.69 116.97 122.29 1ss3 h TYR 9 Ca -0.04 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 1ss3 h TYR 9 Cb 1.19 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1ss3 h TYR 9 CO 0.11 -0.00 -0.09 0.22 -1.32 0.00 0.00 178.16 177.08 1ss3 h ASP 10 N -0.35 -0.21 -0.28 -2.11 1.82 -1.41 0.16 116.42 114.04 1ss3 h ASP 10 Ca -0.02 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 1ss3 h ASP 10 Cb 0.28 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1ss3 h ASP 10 CO 0.03 -0.08 0.08 0.74 -1.61 0.00 0.00 179.24 178.41 1ss3 h THR 11 N -0.33 1.20 -0.53 2.25 2.02 -1.14 -1.89 112.91 114.49 1ss3 h THR 11 Ca -0.03 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.56 1ss3 h THR 11 Cb 0.25 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1ss3 h THR 11 CO 0.04 0.21 0.24 0.00 0.37 0.00 0.00 175.52 176.39 1ss3 h HIS 13 N 0.47 1.04 0.04 0.00 6.17 -0.10 0.52 115.15 123.30 1ss3 h HIS 13 Ca 0.24 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.35 1ss3 h HIS 13 Cb 0.19 -0.32 -0.00 0.00 2.52 0.00 0.00 27.41 29.80 1ss3 h HIS 13 CO -0.12 0.35 -0.05 -0.22 0.71 0.00 0.00 177.93 178.61 1ss3 h LYS 14 N 0.87 -0.09 0.00 5.26 3.64 -0.33 0.58 116.57 126.50 1ss3 h LYS 14 Ca 0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1ss3 h LYS 14 Cb 0.59 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ss3 h LYS 14 CO -0.30 -0.06 0.02 1.49 -2.27 0.00 0.00 179.45 178.33 1ss3 h GLU 15 N -0.09 0.00 0.01 1.90 4.81 -1.23 -1.52 114.58 118.47 1ss3 h GLU 15 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ss3 h GLU 15 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ss3 h GLU 15 CO -0.01 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.26 1ss3 h SER 17 N -0.17 0.00 -0.95 0.00 0.87 0.30 0.27 113.55 113.87 1ss3 h SER 17 Ca -0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1ss3 h SER 17 Cb 0.01 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 1ss3 h SER 17 CO 0.00 0.00 0.61 -0.78 -0.53 0.00 0.00 176.83 176.13 1ss3 h ASP 18 N 0.00 0.54 0.00 6.23 3.58 -1.36 0.29 116.42 125.70 1ss3 h ASP 18 Ca 0.28 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1ss3 h ASP 18 Cb 1.50 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1ss3 h ASP 18 CO -0.00 0.20 0.03 0.29 -2.88 0.00 0.00 179.24 176.88 1ss3 n LYS 19 N -4.59 0.12 -1.03 0.28 4.76 0.94 -4.79 118.16 113.84 1ss3 n LYS 19 Ca 0.21 0.61 -0.01 0.00 -2.87 0.00 0.00 58.31 56.25 1ss3 n LYS 19 Cb 0.67 -1.91 -0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1ss3 n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss3 n GLY 20 N -1.32 0.47 3.63 0.72 0.00 0.10 -5.04 105.19 103.76 1ss3 n GLY 20 Ca -0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1ss3 n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ss3 n ASN 21 N 1.70 -0.79 -4.71 1.61 3.02 -1.25 -5.02 115.26 109.82 1ss3 n ASN 21 Ca -0.01 -1.34 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 1ss3 n ASN 21 Cb 0.04 -0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 38.19 1ss3 n ASN 21 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ss3 s GLY 22 N -5.26 2.78 0.16 7.41 0.00 -1.26 -4.87 107.32 106.27 1ss3 s GLY 22 Ca 0.72 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.77 1ss3 s GLY 22 CO 0.52 1.77 1.50 0.33 0.00 0.00 0.00 173.10 177.23 1ss3 n PHE 23 N 3.84 -0.43 -0.06 1.90 7.35 -1.26 -0.28 117.46 128.52 1ss3 n PHE 23 Ca 0.07 1.22 -0.13 0.00 -0.76 0.00 0.00 57.45 57.84 1ss3 n PHE 23 Cb 0.50 -0.58 -0.08 0.00 0.35 0.00 0.00 39.48 39.67 1ss3 n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ss3 h THR 24 N 0.00 0.05 -0.49 -2.13 2.02 -1.98 0.49 112.91 110.87 1ss3 h THR 24 Ca 0.16 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.42 1ss3 h THR 24 Cb 0.40 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 1ss3 h THR 24 CO -0.91 0.00 0.09 0.15 0.37 0.00 0.00 175.52 175.22 1ss3 h PHE 25 N -0.48 0.14 -0.76 3.16 3.57 -1.64 0.17 116.94 121.11 1ss3 h PHE 25 Ca 0.07 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1ss3 h PHE 25 Cb 0.64 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1ss3 h PHE 25 CO -0.60 -0.01 0.50 0.00 -2.23 0.00 0.00 178.31 175.96 1ss3 h GLU 27 N 0.80 -0.32 -0.98 0.00 5.08 0.26 0.19 114.58 119.61 1ss3 h GLU 27 Ca 0.33 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.93 1ss3 h GLU 27 Cb 0.25 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1ss3 h GLU 27 CO -0.11 -0.21 0.63 0.52 -1.00 0.00 0.00 179.01 178.84 1ss3 h MET 28 N -0.43 0.46 0.31 2.33 2.86 -0.78 0.19 114.93 119.87 1ss3 h MET 28 Ca -0.03 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1ss3 h MET 28 Cb 0.25 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ss3 h MET 28 CO 0.06 0.30 -0.15 -0.22 1.06 0.00 0.00 176.91 177.96 1ss3 h LYS 29 N 0.47 -0.40 -1.02 1.72 3.11 -0.87 -2.90 116.57 116.69 1ss3 h LYS 29 Ca 0.54 0.03 0.29 0.00 -2.81 0.00 0.00 60.65 58.70 1ss3 h LYS 29 Cb 1.26 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 32.53 1ss3 h LYS 29 CO -0.26 -0.26 0.94 0.00 -2.81 0.00 0.00 179.45 177.05 1ss3 h ASP 31 N 0.00 -0.97 1.18 0.00 3.58 -0.58 -2.87 116.42 116.75 1ss3 h ASP 31 Ca 0.48 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 1ss3 h ASP 31 Cb 2.35 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 43.65 1ss3 h ASP 31 CO -0.01 -0.68 -0.13 0.74 -2.88 0.00 0.00 179.24 176.29 1ss3 h THR 32 N -1.18 0.29 0.00 2.25 2.02 -0.76 -3.33 112.91 112.20 1ss3 h THR 32 Ca -0.12 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1ss3 h THR 32 Cb 0.88 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1ss3 h THR 32 CO 0.19 0.12 0.00 -0.67 0.37 0.00 0.00 175.52 175.54 1ss3 n ASP 33 N -3.22 0.00 -4.56 4.18 -0.08 0.17 -3.78 116.55 109.26 1ss3 n ASP 33 Ca 0.01 0.80 -0.43 0.00 -1.51 0.00 0.00 54.79 53.67 1ss3 n ASP 33 Cb 0.42 -0.30 -0.01 0.00 2.34 0.00 0.00 41.12 43.57 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ss3 s SER 35 N 4.30 -0.12 0.74 0.00 0.15 -1.25 -4.94 113.70 112.57 1ss3 s SER 35 Ca 0.49 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1ss3 s SER 35 Cb 0.02 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ss3 s SER 35 CO 0.01 -0.08 0.00 0.55 1.20 0.00 0.00 173.24 174.92 1ss3 n VAL 36 N 1.06 0.00 -3.05 4.45 3.14 -1.26 -5.04 118.33 117.62 1ss3 n VAL 36 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1ss3 n VAL 36 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss3 n LYS 37 N -1.48 0.00 -0.80 1.45 4.81 -1.26 -5.06 118.16 115.82 1ss3 n LYS 37 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1ss3 n LYS 37 Cb 0.00 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.29 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ss3 s ASP 38 N 0.44 0.87 -0.43 3.14 2.15 -1.26 -5.06 116.67 116.53 1ss3 s ASP 38 Ca 0.00 1.04 0.06 0.00 0.43 0.00 0.00 52.55 54.08 1ss3 s ASP 38 Cb 0.00 -1.57 0.18 0.00 -0.30 0.00 0.00 42.92 41.23 1ss3 s ASP 38 CO 0.00 -4.20 0.56 -0.69 -0.17 0.00 0.00 175.17 170.67 1ss3 s VAL 39 N -2.69 -0.71 0.27 1.11 1.01 -1.26 -5.13 120.40 112.99 1ss3 s VAL 39 Ca 0.68 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 1ss3 s VAL 39 Cb -0.17 -0.28 -0.15 0.00 0.00 0.00 0.00 36.38 35.78 1ss3 s VAL 39 CO 0.59 -0.26 0.68 0.29 0.00 0.00 0.00 175.10 176.40 1ss3 n LYS 40 N 3.86 0.54 -2.24 2.72 5.02 -1.26 -4.94 118.16 121.87 1ss3 n LYS 40 Ca 0.14 0.19 -0.28 0.00 -2.02 0.00 0.00 58.31 56.34 1ss3 n LYS 40 Cb 0.53 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 34.21 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ss3 s GLU 41 N -1.26 3.13 -0.21 1.97 8.01 -1.26 -4.92 118.70 124.16 1ss3 s GLU 41 Ca 0.62 0.27 -0.40 0.00 0.01 0.00 0.00 54.97 55.46 1ss3 s GLU 41 Cb -0.80 -2.20 -0.17 0.00 -4.31 0.00 0.00 34.13 26.65 1ss3 s GLU 41 CO 0.58 -0.66 1.61 1.17 0.01 0.00 0.00 175.26 177.97 1ss3 n LYS 42 N -2.65 0.98 -1.12 1.61 0.00 -1.26 -4.82 118.16 110.89 1ss3 n LYS 42 Ca 0.05 0.36 -0.37 0.00 0.00 0.00 0.00 58.31 58.34 1ss3 n LYS 42 Cb 0.56 -2.00 0.04 0.00 0.00 0.00 0.00 35.03 33.63 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1ss3 n LEU 43 N 4.43 -3.57 -4.92 3.14 -0.00 -1.26 -4.97 117.00 109.86 1ss3 n LEU 43 Ca 0.25 0.43 -0.29 0.00 -0.00 0.00 0.00 56.01 56.41 1ss3 n LEU 43 Cb 0.12 -0.90 0.12 0.00 -0.00 0.00 0.00 43.42 42.76 1ss3 n LEU 43 CO 0.77 -4.91 0.79 -1.83 -0.00 0.00 0.00 177.39 172.21 1ss3 s GLU 44 N -1.89 1.53 0.33 1.47 -1.05 -1.26 -4.90 118.70 112.92 1ss3 s GLU 44 Ca 0.52 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 1ss3 s GLU 44 Cb -0.33 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 1ss3 s GLU 44 CO 0.71 -1.83 0.00 -1.71 0.95 0.00 0.00 175.26 173.39 1ss3 n ASN 45 N -3.41 -6.57 -4.52 0.83 5.15 -1.26 -5.07 115.26 100.41 1ss3 n ASN 45 Ca 0.11 0.88 -0.27 0.00 -0.60 0.00 0.00 54.58 54.70 1ss3 n ASN 45 Cb 0.60 -3.05 -0.10 0.00 -0.53 0.00 0.00 39.78 36.70 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1ss3 s TYR 46 N -2.52 2.09 0.79 1.20 1.51 -1.26 -5.12 117.35 114.03 1ss3 s TYR 46 Ca 0.00 -0.92 -0.13 0.00 -1.01 0.00 0.00 57.07 55.01 1ss3 s TYR 46 Cb 0.00 -1.50 0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1ss3 s TYR 46 CO 0.00 0.15 1.20 -1.59 -1.11 0.00 0.00 175.55 174.20 1ss3 s LYS 47 N -3.80 1.78 0.46 -0.62 -2.85 -1.26 -4.98 119.74 108.47 1ss3 s LYS 47 Ca 0.27 1.72 -0.22 0.00 -1.00 0.00 0.00 55.97 56.74 1ss3 s LYS 47 Cb 0.06 -1.80 -0.08 0.00 -2.06 0.00 0.00 37.83 33.96 1ss3 s LYS 47 CO 0.13 -2.10 1.07 -1.25 0.10 0.00 0.00 175.35 173.30 1ss3 s PRO 48 N -4.13 3.87 0.24 1.78 0.04 -1.26 -5.06 135.00 130.48 1ss3 s PRO 48 Ca 0.73 1.48 0.06 0.00 0.04 0.00 0.00 61.00 63.31 1ss3 s PRO 48 Cb -0.28 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1ss3 s PRO 48 CO 0.49 -0.40 0.27 -1.59 0.04 0.00 0.00 177.00 175.82 1ss3 s LYS 49 N -2.94 3.19 0.00 4.56 -2.85 -1.26 -5.35 119.74 115.09 1ss3 s LYS 49 Ca 0.64 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.73 1ss3 s LYS 49 Cb -0.20 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1ss3 s LYS 49 CO 0.25 0.42 0.00 0.27 0.10 0.00 0.00 175.35 176.39