#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsv n PRO 2 N 0.00 0.75 0.11 3.52 -0.04 -1.26 -3.30 135.00 134.78 2nsv n PRO 2 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2nsv n PRO 2 Cb 0.00 -1.44 0.57 0.00 -0.04 0.00 0.00 33.50 32.59 2nsv n PRO 2 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2nsv h GLU 3 N 0.00 0.21 0.00 0.54 4.11 -1.93 0.34 114.58 117.85 2nsv h GLU 3 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2nsv h GLU 3 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2nsv h GLU 3 CO 0.00 0.14 -0.30 -0.25 0.07 0.00 0.00 179.01 178.66 2nsv n ASP 4 N -4.49 0.71 0.00 3.06 9.92 -1.21 -4.88 116.55 119.66 2nsv n ASP 4 Ca 0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2nsv n ASP 4 Cb 0.18 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 2nsv n ASP 4 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2nsv n TRP 5 N -2.12 0.00 -2.05 1.24 8.01 0.12 -5.00 117.44 117.64 2nsv n TRP 5 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2nsv n TRP 5 Cb 0.43 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 2nsv n TRP 5 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2nsv n PHE 6 N 0.00 -4.70 -3.69 -5.99 7.35 -1.21 -4.89 117.46 104.32 2nsv n PHE 6 Ca 0.00 2.77 -0.38 0.00 -0.76 0.00 0.00 57.45 59.08 2nsv n PHE 6 Cb 0.00 -3.47 -0.10 0.00 0.35 0.00 0.00 39.48 36.25 2nsv n PHE 6 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2nsv s THR 7 N -0.75 3.64 -2.00 -2.13 -4.23 -1.23 -4.91 115.64 104.04 2nsv s THR 7 Ca 0.00 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.73 2nsv s THR 7 Cb 0.00 -3.45 0.61 0.00 1.34 0.00 0.00 72.50 70.99 2nsv s THR 7 CO 0.00 -0.73 1.68 -0.81 -0.54 0.00 0.00 174.62 174.22 2nsv n PRO 8 N 4.67 0.75 0.08 3.99 -0.04 -1.26 -2.11 135.00 141.08 2nsv n PRO 8 Ca -0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2nsv n PRO 8 Cb 0.41 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2nsv n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nsv h ASP 9 N 0.00 0.00 -0.55 3.54 3.32 -1.91 -3.36 116.42 117.46 2nsv h ASP 9 Ca 0.00 -0.13 -0.37 0.00 0.02 0.00 0.00 57.03 56.55 2nsv h ASP 9 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 2nsv h ASP 9 CO 0.00 0.06 -0.99 1.07 -1.72 0.00 0.00 179.24 177.67 2nsv n THR 10 N -2.38 1.79 -3.75 0.35 5.66 -0.90 -5.05 114.28 110.01 2nsv n THR 10 Ca 0.02 -3.44 -0.14 0.00 -3.05 0.00 0.00 64.05 57.44 2nsv n THR 10 Cb 0.49 0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 2nsv n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nsv n ALA 12 N 1.36 1.40 -2.70 0.00 0.00 -1.26 -4.63 120.51 114.67 2nsv n ALA 12 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 2nsv n ALA 12 Cb 0.56 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 2nsv n ALA 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2nsv s TYR 13 N -3.08 2.96 -0.06 0.00 1.51 -1.26 -5.02 117.35 112.39 2nsv s TYR 13 Ca 0.04 -0.08 0.12 0.00 -1.01 0.00 0.00 57.07 56.14 2nsv s TYR 13 Cb 0.06 -1.45 -0.18 0.00 -0.11 0.00 0.00 41.96 40.28 2nsv s TYR 13 CO 0.19 0.51 0.17 0.41 -1.11 0.00 0.00 175.55 175.72 2nsv n GLY 14 N -0.00 -0.59 3.84 0.71 0.00 -1.26 -4.41 105.19 103.48 2nsv n GLY 14 Ca -0.10 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2nsv n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nsv s ASP 15 N -3.95 6.83 -0.03 1.61 1.01 -1.26 -4.68 116.67 116.20 2nsv s ASP 15 Ca -0.05 1.13 0.08 0.00 0.71 0.00 0.00 52.55 54.42 2nsv s ASP 15 Cb 0.06 -2.31 -0.24 0.00 1.01 0.00 0.00 42.92 41.44 2nsv s ASP 15 CO 0.51 0.04 0.71 0.28 0.21 0.00 0.00 175.17 176.93 2nsv h SER 16 N 3.29 0.09 0.22 0.27 0.02 -1.94 -2.49 113.55 113.02 2nsv h SER 16 Ca -0.48 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 2nsv h SER 16 Cb 1.19 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2nsv h SER 16 CO 0.66 1.16 -0.10 -1.13 -1.14 0.00 0.00 176.83 176.28 2nsv h ASN 17 N 0.02 -0.25 -0.61 3.07 -0.73 -1.94 -1.29 115.58 113.86 2nsv h ASN 17 Ca -0.27 -0.28 -0.06 0.00 1.87 0.00 0.00 56.30 57.56 2nsv h ASN 17 Cb 1.99 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 40.62 2nsv h ASN 17 CO 0.09 0.23 0.14 0.00 -0.37 0.00 0.00 177.43 177.53 2nsv h THR 18 N -0.82 1.25 0.36 -3.57 1.03 -1.99 -0.23 112.91 108.95 2nsv h THR 18 Ca -0.03 -0.92 -0.00 0.00 -0.01 0.00 0.00 66.41 65.45 2nsv h THR 18 Cb 0.51 0.68 -0.02 0.00 -1.07 0.00 0.00 68.15 68.25 2nsv h THR 18 CO 0.05 0.34 -0.37 0.00 -0.01 0.00 0.00 175.52 175.54 2nsv h ALA 19 N 1.04 -0.79 -0.53 0.00 0.00 -1.49 0.71 119.26 118.20 2nsv h ALA 19 Ca 0.19 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2nsv h ALA 19 Cb 0.36 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2nsv h ALA 19 CO 0.00 -0.98 0.18 2.35 0.00 0.00 0.00 179.25 180.81 2nsv h TRP 20 N -0.75 0.32 0.16 0.00 2.91 -1.13 0.73 115.95 118.18 2nsv h TRP 20 Ca -0.02 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.04 2nsv h TRP 20 Cb 0.68 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.23 2nsv h TRP 20 CO -0.21 0.09 -0.34 1.15 -1.03 0.00 0.00 178.44 178.10 2nsv h THR 21 N 0.36 0.28 0.00 2.65 2.02 -0.27 1.00 112.91 118.95 2nsv h THR 21 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 2nsv h THR 21 Cb 0.30 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2nsv h THR 21 CO -0.27 0.00 -0.09 0.74 0.37 0.00 0.00 175.52 176.27 2nsv h THR 22 N -0.60 1.01 -0.23 3.16 2.02 0.11 -1.27 112.91 117.12 2nsv h THR 22 Ca 0.02 -0.31 -0.20 0.00 0.77 0.00 0.00 66.41 66.69 2nsv h THR 22 Cb 0.61 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2nsv h THR 22 CO -0.18 0.09 -0.65 0.00 0.37 0.00 0.00 175.52 175.15 2nsv n THR 24 N -3.97 3.94 -3.75 0.00 -2.24 0.33 -4.60 114.28 103.98 2nsv n THR 24 Ca -0.06 -3.88 -0.10 0.00 -2.27 0.00 0.00 64.05 57.74 2nsv n THR 24 Cb 0.68 -2.46 -0.07 0.00 -2.10 0.00 0.00 70.33 66.38 2nsv n THR 24 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2nsv s THR 25 N 2.12 0.10 -0.15 4.28 -4.23 -1.25 -4.89 115.64 111.62 2nsv s THR 25 Ca 0.45 -0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.85 2nsv s THR 25 Cb 0.09 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 2nsv s THR 25 CO -0.02 -0.45 1.27 -2.16 -0.54 0.00 0.00 174.62 172.72 2nsv s PRO 26 N -3.31 4.25 0.00 3.99 0.04 -1.26 -4.59 135.00 134.12 2nsv s PRO 26 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2nsv s PRO 26 Cb 0.02 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2nsv s PRO 26 CO -0.08 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2nsv n GLY 27 N 3.60 2.57 0.18 0.56 0.00 -1.26 -5.02 105.19 105.81 2nsv n GLY 27 Ca 0.14 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2nsv n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2nsv n GLN 28 N 0.00 0.53 -1.76 1.61 7.27 -1.26 -4.58 117.38 119.19 2nsv n GLN 28 Ca 0.00 0.16 -0.29 0.00 0.07 0.00 0.00 57.00 56.94 2nsv n GLN 28 Cb 0.00 -1.39 0.04 0.00 2.41 0.00 0.00 30.24 31.30 2nsv n GLN 28 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2nsv n THR 29 N -3.51 3.01 0.35 1.69 -2.24 -1.26 -4.73 114.28 107.59 2nsv n THR 29 Ca -0.42 -3.73 -0.16 0.00 -2.27 0.00 0.00 64.05 57.47 2nsv n THR 29 Cb 0.88 -1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 2nsv n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nsv h TYR 31 N -1.08 0.50 -0.30 0.00 3.20 -1.85 -2.43 116.97 115.02 2nsv h TYR 31 Ca -0.09 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 2nsv h TYR 31 Cb 0.72 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2nsv h TYR 31 CO -0.00 0.61 -0.08 1.15 -1.64 0.00 0.00 178.16 178.20 2nsv h THR 32 N 0.43 1.21 -0.71 1.81 2.02 -1.85 -2.01 112.91 113.81 2nsv h THR 32 Ca 0.08 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2nsv h THR 32 Cb 0.53 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2nsv h THR 32 CO 0.03 0.30 0.24 0.00 0.37 0.00 0.00 175.52 176.46 2nsv n SER 35 N -4.45 0.00 -0.02 0.00 2.88 -0.49 -1.81 113.62 109.74 2nsv n SER 35 Ca 0.08 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2nsv n SER 35 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2nsv n SER 35 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2nsv n SER 36 N -0.96 1.05 -0.41 -3.46 7.64 0.20 -4.66 113.62 113.01 2nsv n SER 36 Ca 0.20 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.50 2nsv n SER 36 Cb 0.09 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2nsv n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nsv s PHE 38 N -0.00 0.04 0.00 0.00 0.08 -0.75 -3.49 117.98 113.86 2nsv s PHE 38 Ca 0.00 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.53 2nsv s PHE 38 Cb 0.00 0.60 0.00 0.00 -0.57 0.00 0.00 43.02 43.05 2nsv s PHE 38 CO 0.00 -1.26 0.00 -3.47 -0.10 0.00 0.00 175.22 170.39 2nsv n ASP 39 N -0.69 0.00 -0.11 1.36 -0.08 -1.26 -4.72 116.55 111.04 2nsv n ASP 39 Ca -0.04 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.01 2nsv n ASP 39 Cb 0.60 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.97 2nsv n ASP 39 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2nsv n VAL 40 N 0.00 1.52 0.00 5.18 3.14 -1.26 -4.07 118.33 122.83 2nsv n VAL 40 Ca 0.00 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2nsv n VAL 40 Cb 0.00 -2.04 0.00 0.00 -1.06 0.00 0.00 33.84 30.74 2nsv n VAL 40 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2nsv n VAL 41 N -4.38 0.00 -0.34 1.55 0.31 -1.26 -1.36 118.33 112.85 2nsv n VAL 41 Ca -0.37 0.69 0.28 0.00 -0.01 0.00 0.00 64.34 64.93 2nsv n VAL 41 Cb 0.71 -1.43 0.45 0.00 -0.91 0.00 0.00 33.84 32.67 2nsv n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nsv n GLY 42 N 0.96 -0.56 0.15 2.92 0.00 -1.26 0.32 105.19 107.72 2nsv n GLY 42 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 2nsv n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nsv h GLU 43 N 0.00 -0.27 0.00 1.61 4.81 -1.70 0.19 114.58 119.22 2nsv h GLU 43 Ca 0.57 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2nsv h GLU 43 Cb 1.95 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.39 2nsv h GLU 43 CO -0.23 0.03 0.00 -0.56 -0.73 0.00 0.00 179.01 177.52 2nsv h GLN 44 N -0.99 0.00 0.09 1.92 3.07 0.32 0.13 115.11 119.65 2nsv h GLN 44 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.47 2nsv h GLN 44 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2nsv h GLN 44 CO 0.05 0.00 -1.23 0.00 0.09 0.00 0.00 178.83 177.74 2nsv h ALA 45 N 2.24 0.16 0.00 0.06 0.00 0.50 -3.30 119.26 118.92 2nsv h ALA 45 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 54.91 53.79 2nsv h ALA 45 Cb 0.47 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2nsv h ALA 45 CO 0.00 0.71 -0.48 0.00 0.00 0.00 0.00 179.25 179.48 2nsv h GLN 47 N 0.00 0.09 -0.01 0.00 4.20 -0.85 1.52 115.11 120.06 2nsv h GLN 47 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2nsv h GLN 47 Cb 0.96 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 2nsv h GLN 47 CO 0.06 0.06 0.00 0.52 -0.67 0.00 0.00 178.83 178.80 2nsv h MET 48 N 0.09 0.01 0.00 1.46 2.86 -1.61 -2.40 114.93 115.35 2nsv h MET 48 Ca 0.16 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2nsv h MET 48 Cb 0.22 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2nsv h MET 48 CO -0.27 0.26 0.00 0.77 1.06 0.00 0.00 176.91 178.72 2nsv h SER 49 N -0.23 0.00 -0.38 1.22 0.02 -1.31 -3.42 113.55 109.45 2nsv h SER 49 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2nsv h SER 49 Cb 0.25 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 2nsv h SER 49 CO 0.00 0.00 1.43 0.00 -1.14 0.00 0.00 176.83 177.12 2nsv n ALA 50 N -1.94 0.66 -2.47 3.77 0.00 0.52 -4.74 120.51 116.30 2nsv n ALA 50 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 53.44 52.27 2nsv n ALA 50 Cb 0.21 -2.72 0.01 0.00 0.00 0.00 0.00 19.45 16.94 2nsv n ALA 50 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2nsv n GLN 51 N 7.71 3.65 0.00 0.00 7.27 -1.26 -5.02 117.38 129.73 2nsv n GLN 51 Ca 0.57 -4.36 0.02 0.00 0.07 0.00 0.00 57.00 53.30 2nsv n GLN 51 Cb 0.25 -2.30 0.02 0.00 2.41 0.00 0.00 30.24 30.62 2nsv n GLN 51 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13