#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal n ALA 2 N 0.00 0.56 -2.94 2.98 0.00 -1.26 -5.10 120.51 114.76 1bal n ALA 2 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 1bal n ALA 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 0.00 1.24 0.00 0.00 7.64 -1.26 -5.11 113.62 116.13 1bal n SER 3 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1bal n SER 3 Cb 0.39 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bal n LEU 4 N 0.00 0.00 -4.74 -3.43 -0.00 -1.26 -4.90 117.00 102.67 1bal n LEU 4 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.70 1bal n LEU 4 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 1bal n LEU 4 CO 0.24 0.00 1.12 -0.70 -0.00 0.00 0.00 177.39 178.05 1bal s GLU 5 N 0.24 4.27 0.00 1.47 2.12 -1.26 -4.82 118.70 120.73 1bal s GLU 5 Ca 0.00 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1bal s GLU 5 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1bal s GLU 5 CO 0.00 -0.45 0.00 -1.91 -0.54 0.00 0.00 175.26 172.36 1bal n GLU 6 N 2.89 0.00 0.00 4.30 2.13 -1.26 -5.06 120.64 123.64 1bal n GLU 6 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1bal n GLU 6 Cb 0.40 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N -2.02 0.00 -4.03 5.31 3.00 -1.26 -5.06 117.38 113.32 1bal n GLN 7 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1bal n GLN 7 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 1bal n GLN 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1bal s ASN 8 N -1.16 0.38 -0.42 1.08 -0.87 -1.26 -5.08 114.94 107.61 1bal s ASN 8 Ca 0.00 -0.89 -0.30 0.00 -1.57 0.00 0.00 52.86 50.10 1bal s ASN 8 Cb 0.00 0.23 -0.09 0.00 -0.02 0.00 0.00 41.25 41.37 1bal s ASN 8 CO 0.00 -0.62 2.32 0.59 -2.57 0.00 0.00 177.10 176.82 1bal n ASN 9 N 0.11 2.30 -1.04 -1.22 5.03 -1.26 -4.76 115.26 114.43 1bal n ASN 9 Ca -0.15 0.05 0.07 0.00 0.87 0.00 0.00 54.58 55.42 1bal n ASN 9 Cb 0.61 -1.41 0.23 0.00 -1.02 0.00 0.00 39.78 38.20 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1bal n ASP 10 N 12.30 3.03 0.00 6.41 5.68 -1.26 -4.86 116.55 137.85 1bal n ASP 10 Ca 0.39 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1bal n ASP 10 Cb 0.37 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal n ALA 11 N 0.80 0.00 -2.74 2.12 0.00 -1.26 -5.15 120.51 114.28 1bal n ALA 11 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.38 1bal n ALA 11 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1bal n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bal s LEU 12 N 0.00 4.09 -0.29 0.00 1.43 -1.26 -5.08 118.68 117.57 1bal s LEU 12 Ca 0.00 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 1bal s LEU 12 Cb 0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1bal s LEU 12 CO 0.00 -0.24 0.36 -0.44 0.23 0.00 0.00 176.35 176.26 1bal s SER 13 N -4.02 6.22 0.00 2.29 0.01 -1.26 -4.92 113.70 112.01 1bal s SER 13 Ca 0.38 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1bal s SER 13 Cb -0.09 -2.20 0.03 0.00 0.21 0.00 0.00 66.02 63.96 1bal s SER 13 CO 0.34 -0.22 0.82 -2.65 0.41 0.00 0.00 173.24 171.94 1bal n PRO 14 N 5.34 0.01 0.05 12.44 -0.02 -1.26 -0.27 135.00 151.29 1bal n PRO 14 Ca -0.09 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1bal n PRO 14 Cb 0.50 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.59 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.30 3.13 0.24 3.55 0.00 -1.26 -3.79 120.51 121.08 1bal n ALA 15 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.26 1bal n ALA 15 Cb 0.00 -1.08 0.35 0.00 0.00 0.00 0.00 19.45 18.72 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 0.07 -0.03 0.00 2.10 -1.04 -2.71 117.51 115.91 1bal h ILE 16 Ca 0.00 -0.91 -0.24 0.00 1.08 0.00 0.00 64.86 64.79 1bal h ILE 16 Cb 0.74 1.85 0.02 0.00 -1.09 0.00 0.00 36.82 38.34 1bal h ILE 16 CO 0.00 0.04 -0.93 0.03 -1.08 0.00 0.00 178.15 176.21 1bal h ARG 17 N 0.00 0.68 0.00 2.19 3.08 -1.69 -3.22 114.38 115.42 1bal h ARG 17 Ca -0.00 -0.69 -0.10 0.00 0.07 0.00 0.00 59.98 59.26 1bal h ARG 17 Cb 0.84 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1bal h ARG 17 CO 0.00 1.28 -0.47 0.00 -1.07 0.00 0.00 179.97 179.72 1bal h ARG 18 N 0.34 0.00 -0.92 0.04 3.08 -1.72 -3.16 114.38 112.04 1bal h ARG 18 Ca -0.11 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.21 1bal h ARG 18 Cb 1.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.60 1bal h ARG 18 CO 0.18 0.47 0.93 1.25 -1.07 0.00 0.00 179.97 181.74 1bal h LEU 19 N 0.00 0.00 0.11 3.04 5.85 -1.49 1.46 115.31 124.28 1bal h LEU 19 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 1bal h LEU 19 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1bal h LEU 19 CO 0.06 0.00 -1.27 -0.07 -0.34 0.00 0.00 178.44 176.82 1bal h LEU 20 N 0.00 0.37 0.00 2.25 3.38 -1.72 -3.17 115.31 116.42 1bal h LEU 20 Ca 0.44 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bal h LEU 20 Cb 2.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.93 1bal h LEU 20 CO -0.00 1.33 -0.12 0.00 0.09 0.00 0.00 178.44 179.74 1bal n ALA 21 N -2.54 2.43 0.05 1.53 0.00 0.47 -0.59 120.51 121.86 1bal n ALA 21 Ca -0.09 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1bal n ALA 21 Cb 1.02 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.00 0.34 0.00 0.00 4.81 -0.76 -3.33 114.58 115.64 1bal h GLU 22 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1bal h GLU 22 Cb 0.69 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1bal h GLU 22 CO 0.00 1.23 -1.00 0.72 -0.73 0.00 0.00 179.01 179.23 1bal n HIS 23 N -4.12 0.01 -3.20 0.92 8.25 -1.20 -4.97 115.22 110.91 1bal n HIS 23 Ca -0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 1bal n HIS 23 Cb 0.81 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.90 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N -1.55 -5.15 -4.76 0.41 5.03 0.24 -5.01 115.26 104.46 1bal n ASN 24 Ca 0.04 -0.36 -0.28 0.00 0.87 0.00 0.00 54.58 54.85 1bal n ASN 24 Cb 0.35 -3.80 -0.06 0.00 -1.02 0.00 0.00 39.78 35.24 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1bal s LEU 25 N -5.49 3.71 0.12 3.41 1.43 -1.01 -5.03 118.68 115.82 1bal s LEU 25 Ca 0.39 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1bal s LEU 25 Cb -0.17 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 1bal s LEU 25 CO 0.48 0.13 0.42 -1.81 0.23 0.00 0.00 176.35 175.80 1bal s ASP 26 N -2.69 6.61 -0.04 2.29 1.11 -1.26 -4.81 116.67 117.87 1bal s ASP 26 Ca 0.29 0.77 0.13 0.00 0.18 0.00 0.00 52.55 53.91 1bal s ASP 26 Cb -0.11 -2.17 -0.23 0.00 1.07 0.00 0.00 42.92 41.48 1bal s ASP 26 CO 0.22 0.10 0.66 0.00 1.18 0.00 0.00 175.17 177.33 1bal n ALA 27 N 0.54 1.50 0.31 5.23 0.00 -1.26 -3.85 120.51 122.97 1bal n ALA 27 Ca -0.05 -0.77 0.16 0.00 0.00 0.00 0.00 53.44 52.77 1bal n ALA 27 Cb 0.52 -0.84 0.84 0.00 0.00 0.00 0.00 19.45 19.96 1bal n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bal h SER 28 N 0.00 0.00 0.71 0.00 4.64 -2.05 0.53 113.55 117.38 1bal h SER 28 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1bal h SER 28 Cb 2.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1bal h SER 28 CO 0.08 0.00 -1.31 0.00 -0.87 0.00 0.00 176.83 174.73 1bal n ALA 29 N -1.88 2.50 -2.67 5.18 0.00 -1.25 -4.83 120.51 117.55 1bal n ALA 29 Ca -0.02 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 1bal n ALA 29 Cb 0.30 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -3.34 5.13 -1.18 0.00 -1.09 0.19 -4.96 121.20 115.96 1bal s ILE 30 Ca -0.03 0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 59.16 1bal s ILE 30 Cb 0.10 -3.82 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1bal s ILE 30 CO 0.82 0.21 2.25 0.29 -1.23 0.00 0.00 174.94 177.28 1bal n LYS 31 N 4.60 2.45 -1.55 2.79 5.02 -1.26 -4.88 118.16 125.34 1bal n LYS 31 Ca -0.06 -2.07 -0.28 0.00 -2.02 0.00 0.00 58.31 53.89 1bal n LYS 31 Cb 0.51 -2.92 -0.07 0.00 -0.02 0.00 0.00 35.03 32.53 1bal n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bal n GLY 32 N 4.06 -0.04 0.11 0.72 0.00 -1.26 -4.77 105.19 104.01 1bal n GLY 32 Ca 0.55 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 47.08 1bal n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bal h THR 33 N 7.69 0.00 -0.30 2.61 1.35 -1.90 -3.39 112.91 118.97 1bal h THR 33 Ca -0.12 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1bal h THR 33 Cb 1.17 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1bal h THR 33 CO 1.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 1bal n GLY 34 N 1.27 0.46 3.48 5.82 0.00 -1.24 -2.57 105.19 112.41 1bal n GLY 34 Ca -0.02 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N 0.00 4.65 0.00 1.61 1.01 -1.26 -4.35 120.40 122.06 1bal s VAL 35 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1bal s VAL 35 Cb 0.00 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.51 1bal s VAL 35 CO 0.00 -1.62 0.00 0.61 0.00 0.00 0.00 175.10 174.09 1bal n GLY 36 N 5.36 2.61 0.00 4.51 0.00 -1.23 -4.36 105.19 112.08 1bal n GLY 36 Ca 0.30 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.00 0.00 3.17 -0.02 0.00 -1.06 -5.02 105.19 102.26 1bal n GLY 37 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N 0.00 2.41 -0.40 1.61 3.52 -1.19 -4.95 118.95 119.95 1bal s ARG 38 Ca 0.00 -1.95 -0.35 0.00 -0.13 0.00 0.00 55.73 53.30 1bal s ARG 38 Cb 0.00 -3.82 -0.12 0.00 -1.56 0.00 0.00 34.95 29.45 1bal s ARG 38 CO 0.00 -1.16 2.23 -0.11 -0.81 0.00 0.00 175.30 175.44 1bal n LEU 39 N 4.53 1.97 -4.87 -0.88 7.94 -1.26 -3.62 117.00 120.81 1bal n LEU 39 Ca -0.02 0.36 -0.30 0.00 -1.11 0.00 0.00 56.01 54.94 1bal n LEU 39 Cb 0.41 -1.24 0.21 0.00 0.53 0.00 0.00 43.42 43.32 1bal n LEU 39 CO 0.38 -0.78 0.84 0.42 -1.11 0.00 0.00 177.39 177.14 1bal s THR 40 N 7.61 1.91 -1.10 1.96 -4.23 -1.26 -4.98 115.64 115.55 1bal s THR 40 Ca 1.11 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.84 1bal s THR 40 Cb -0.87 -2.91 -0.12 0.00 1.34 0.00 0.00 72.50 69.94 1bal s THR 40 CO 0.49 0.00 1.10 -1.14 -0.54 0.00 0.00 174.62 174.52 1bal n ARG 41 N -4.03 0.11 0.02 3.99 0.63 -1.26 -4.01 116.66 112.11 1bal n ARG 41 Ca 0.16 -0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 1bal n ARG 41 Cb 0.59 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 32.04 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -1.37 0.20 0.21 -0.14 -0.58 -1.26 -3.90 120.64 113.80 1bal n GLU 42 Ca 0.05 -0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1bal n GLU 42 Cb 0.34 -1.56 0.21 0.00 -0.57 0.00 0.00 31.44 29.86 1bal n GLU 42 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1bal h ASP 43 N 0.00 0.00 0.37 1.62 5.19 -1.97 -3.15 116.42 118.48 1bal h ASP 43 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bal h ASP 43 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1bal h ASP 43 CO 0.00 0.00 -1.05 0.52 -3.12 0.00 0.00 179.24 175.59 1bal n VAL 44 N -3.00 0.13 0.26 -1.35 0.31 -1.25 -4.44 118.33 108.99 1bal n VAL 44 Ca 0.04 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 1bal n VAL 44 Cb 0.51 0.29 -0.05 0.00 -0.91 0.00 0.00 33.84 33.68 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 -0.66 0.00 5.55 4.22 -1.66 0.22 114.58 122.26 1bal h GLU 45 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1bal h GLU 45 Cb 0.71 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1bal h GLU 45 CO 0.00 -0.44 0.33 1.17 -2.18 0.00 0.00 179.01 177.89 1bal n LYS 46 N -3.88 0.04 -0.06 1.92 4.81 -1.26 0.14 118.16 119.88 1bal n LYS 46 Ca -0.08 0.42 -0.20 0.00 -0.87 0.00 0.00 58.31 57.58 1bal n LYS 46 Cb 0.27 -1.96 -0.13 0.00 0.02 0.00 0.00 35.03 33.23 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1bal n HIS 47 N -1.67 0.66 0.18 5.64 -0.00 -0.54 -3.86 115.22 115.62 1bal n HIS 47 Ca -0.00 0.14 0.17 0.00 0.46 0.00 0.00 57.72 58.48 1bal n HIS 47 Cb 0.34 -1.09 0.63 0.00 -0.12 0.00 0.00 29.99 29.75 1bal n HIS 47 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1bal h LEU 48 N 0.04 0.00 -6.00 0.27 3.38 0.29 -3.38 115.31 109.91 1bal h LEU 48 Ca -0.50 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.76 1bal h LEU 48 Cb 1.97 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 42.51 1bal h LEU 48 CO 0.00 0.00 0.29 0.00 0.09 0.00 0.00 178.44 178.83 1bal s ALA 49 N -4.31 -3.87 0.70 1.53 0.00 -1.20 -5.12 121.76 109.49 1bal s ALA 49 Ca -0.03 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1bal s ALA 49 Cb 0.11 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1bal s ALA 49 CO 0.36 -1.49 1.07 -1.59 0.00 0.00 0.00 175.76 174.10 1bal s LYS 50 N 2.96 2.89 0.00 0.00 -2.85 -1.25 -4.79 119.74 116.70 1bal s LYS 50 Ca -0.09 0.76 0.12 0.00 -1.00 0.00 0.00 55.97 55.75 1bal s LYS 50 Cb -0.08 -2.00 0.70 0.00 -2.06 0.00 0.00 37.83 34.39 1bal s LYS 50 CO -0.07 -1.08 1.13 0.00 0.10 0.00 0.00 175.35 175.43