#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pc5 s PHE 2 N 0.00 3.20 -0.03 0.00 0.40 -1.26 -1.26 117.98 119.03 1pc5 s PHE 2 Ca 0.00 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1pc5 s PHE 2 Cb 0.00 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.35 1pc5 s PHE 2 CO 0.00 -0.24 -0.02 0.08 0.70 0.00 0.00 175.22 175.74 1pc5 s VAL 3 N -2.43 0.30 0.01 -0.44 1.01 0.03 -4.73 120.40 114.15 1pc5 s VAL 3 Ca 0.47 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 1pc5 s VAL 3 Cb -0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1pc5 s VAL 3 CO 0.36 0.15 0.75 -0.69 0.00 0.00 0.00 175.10 175.66 1pc5 s VAL 4 N 0.71 4.82 0.00 2.92 1.01 -1.26 -1.92 120.40 126.68 1pc5 s VAL 4 Ca -0.08 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1pc5 s VAL 4 Cb -0.11 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1pc5 s VAL 4 CO -0.01 0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.78 1pc5 n THR 5 N 3.07 0.00 -0.33 3.92 -2.24 0.56 -4.88 114.28 114.37 1pc5 n THR 5 Ca -0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1pc5 n THR 5 Cb 0.51 -0.06 0.26 0.00 -2.10 0.00 0.00 70.33 68.94 1pc5 n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1pc5 h ASP 6 N 0.00 0.69 0.46 3.42 1.82 -1.94 -2.72 116.42 118.15 1pc5 h ASP 6 Ca 0.00 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1pc5 h ASP 6 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1pc5 h ASP 6 CO 0.00 0.29 0.00 -3.20 -1.61 0.00 0.00 179.24 174.72 1pc5 n ASN 7 N -4.79 0.00 0.08 2.28 5.15 -1.26 -1.57 115.26 115.15 1pc5 n ASN 7 Ca 0.20 0.42 -0.01 0.00 -0.60 0.00 0.00 54.58 54.59 1pc5 n ASN 7 Cb 0.47 -0.46 0.27 0.00 -0.53 0.00 0.00 39.78 39.54 1pc5 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pc5 s ILE 9 N -4.46 2.57 0.00 0.00 1.01 -0.61 -0.70 121.20 119.01 1pc5 s ILE 9 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1pc5 s ILE 9 Cb 0.14 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1pc5 s ILE 9 CO 0.76 0.05 0.00 0.29 0.00 0.00 0.00 174.94 176.04 1pc5 n LYS 10 N 3.26 -0.98 -0.00 2.79 5.02 -0.85 -4.77 118.16 122.63 1pc5 n LYS 10 Ca 0.11 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.63 1pc5 n LYS 10 Cb 0.39 -4.09 -0.00 0.00 -0.02 0.00 0.00 35.03 31.30 1pc5 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pc5 n LYS 12 N -3.00 -1.70 -0.17 0.00 4.81 0.12 -1.47 118.16 116.75 1pc5 n LYS 12 Ca -0.02 0.51 -0.05 0.00 -0.87 0.00 0.00 58.31 57.88 1pc5 n LYS 12 Cb 0.07 -4.39 0.14 0.00 0.02 0.00 0.00 35.03 30.86 1pc5 n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1pc5 h TYR 13 N -1.81 0.97 -0.05 5.64 0.05 -1.92 -3.34 116.97 116.51 1pc5 h TYR 13 Ca -0.65 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.00 1pc5 h TYR 13 Cb 1.36 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 1pc5 h TYR 13 CO 0.35 0.81 -0.02 0.25 -1.05 0.00 0.00 178.16 178.50 1pc5 n THR 14 N -4.25 0.00 0.31 -2.88 -2.24 -1.26 -4.09 114.28 99.86 1pc5 n THR 14 Ca 0.04 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.01 1pc5 n THR 14 Cb 0.25 -0.36 1.01 0.00 -2.10 0.00 0.00 70.33 69.13 1pc5 n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pc5 h ASP 15 N 0.00 0.00 0.61 3.42 5.19 -1.90 -2.93 116.42 120.81 1pc5 h ASP 15 Ca -0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.28 1pc5 h ASP 15 Cb 0.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1pc5 h ASP 15 CO 0.03 0.02 -0.50 0.00 -3.12 0.00 0.00 179.24 175.67 1pc5 h VAL 17 N 0.00 1.12 0.00 0.00 -1.51 -1.88 -3.22 116.25 110.76 1pc5 h VAL 17 Ca -0.01 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 1pc5 h VAL 17 Cb 0.94 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 32.26 1pc5 h VAL 17 CO 0.07 0.52 0.00 -0.33 -1.23 0.00 0.00 177.57 176.59 1pc5 h GLU 18 N 0.00 0.00 -0.03 5.19 4.39 -1.75 -2.51 114.58 119.87 1pc5 h GLU 18 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1pc5 h GLU 18 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1pc5 h GLU 18 CO 0.07 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.25 1pc5 n VAL 19 N -3.01 0.02 -2.52 3.13 0.24 -1.22 -4.95 118.33 110.02 1pc5 n VAL 19 Ca -0.00 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 1pc5 n VAL 19 Cb 0.22 1.25 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 1pc5 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pc5 h PRO 21 N 9.72 0.00 -0.16 0.00 0.13 -1.92 -2.69 132.00 137.07 1pc5 h PRO 21 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1pc5 h PRO 21 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pc5 h PRO 21 CO 1.12 0.06 0.00 1.33 -0.23 0.00 0.00 178.00 180.29 1pc5 n VAL 22 N -3.17 0.29 -3.63 1.56 0.24 -1.26 -5.01 118.33 107.34 1pc5 n VAL 22 Ca 0.01 -0.64 -0.21 0.00 -2.04 0.00 0.00 64.34 61.46 1pc5 n VAL 22 Cb 0.38 1.10 0.04 0.00 -1.47 0.00 0.00 33.84 33.89 1pc5 n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pc5 n ASP 23 N 0.95 -1.97 -1.60 -1.34 10.43 -1.02 -4.90 116.55 117.12 1pc5 n ASP 23 Ca 0.12 -0.80 -0.13 0.00 2.57 0.00 0.00 54.79 56.55 1pc5 n ASP 23 Cb 0.44 -4.22 0.19 0.00 1.84 0.00 0.00 41.12 39.37 1pc5 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pc5 s PHE 25 N -3.30 3.66 0.01 0.00 0.40 -1.26 -1.20 117.98 116.29 1pc5 s PHE 25 Ca 0.50 0.86 0.05 0.00 -0.60 0.00 0.00 56.93 57.74 1pc5 s PHE 25 Cb 0.44 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 1pc5 s PHE 25 CO 0.04 0.58 -0.16 0.71 0.70 0.00 0.00 175.22 177.08 1pc5 s TYR 26 N -0.75 1.42 -0.22 0.36 2.02 0.10 -1.33 117.35 118.94 1pc5 s TYR 26 Ca 0.21 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1pc5 s TYR 26 Cb -0.15 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1pc5 s TYR 26 CO 0.10 0.01 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.08 1pc5 s GLU 27 N -0.73 3.46 0.35 -0.62 2.12 0.61 -0.83 118.70 123.06 1pc5 s GLU 27 Ca 0.05 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 54.87 1pc5 s GLU 27 Cb -0.07 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1pc5 s GLU 27 CO 0.00 -0.18 0.37 0.20 -0.54 0.00 0.00 175.26 175.11 1pc5 s GLY 28 N 1.47 1.79 0.36 -1.50 0.00 -0.17 -4.03 107.32 105.24 1pc5 s GLY 28 Ca 0.05 -1.64 0.14 0.00 0.00 0.00 0.00 44.72 43.28 1pc5 s GLY 28 CO -0.01 -1.54 1.76 -2.55 0.00 0.00 0.00 173.10 170.76 1pc5 h PRO 29 N 1.09 0.48 0.00 2.90 0.11 -1.86 -3.22 132.00 131.49 1pc5 h PRO 29 Ca -0.44 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1pc5 h PRO 29 Cb 1.26 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1pc5 h PRO 29 CO 0.56 0.32 -0.77 0.27 -0.21 0.00 0.00 178.00 178.17 1pc5 n ASN 30 N -4.74 0.50 -3.45 -2.05 6.94 -1.26 -5.05 115.26 106.15 1pc5 n ASN 30 Ca 0.26 -1.98 -0.12 0.00 -0.02 0.00 0.00 54.58 52.72 1pc5 n ASN 30 Cb 0.80 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1pc5 n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pc5 s PHE 31 N 0.00 -0.52 0.12 -2.53 5.36 -1.22 -2.01 117.98 117.19 1pc5 s PHE 31 Ca 0.18 0.43 0.09 0.00 -0.96 0.00 0.00 56.93 56.66 1pc5 s PHE 31 Cb 0.20 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.38 1pc5 s PHE 31 CO -0.09 -0.75 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.20 1pc5 s LEU 32 N -2.45 2.34 0.23 6.12 1.02 -1.26 -0.99 118.68 123.68 1pc5 s LEU 32 Ca -0.00 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.45 1pc5 s LEU 32 Cb -0.01 -0.91 -0.05 0.00 0.02 0.00 0.00 46.19 45.24 1pc5 s LEU 32 CO -0.09 0.05 -0.03 0.68 0.02 0.00 0.00 176.35 176.98 1pc5 s VAL 33 N -1.39 1.17 -0.19 -1.59 -7.23 -0.01 -4.73 120.40 106.43 1pc5 s VAL 33 Ca 0.10 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1pc5 s VAL 33 Cb -0.09 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1pc5 s VAL 33 CO 0.05 -0.39 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.82 1pc5 s ILE 34 N -3.33 3.95 -0.39 -0.62 1.01 -1.26 0.02 121.20 120.59 1pc5 s ILE 34 Ca 0.27 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 1pc5 s ILE 34 Cb 0.05 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1pc5 s ILE 34 CO 0.08 0.44 1.33 -2.28 0.00 0.00 0.00 174.94 174.52 1pc5 s HIS 35 N 0.86 2.55 0.26 3.97 5.65 -0.34 -4.39 115.29 123.84 1pc5 s HIS 35 Ca 0.01 0.74 0.29 0.00 0.25 0.00 0.00 55.06 56.35 1pc5 s HIS 35 Cb -0.14 -4.20 1.30 0.00 -1.18 0.00 0.00 32.58 28.36 1pc5 s HIS 35 CO 0.02 -1.78 1.98 -1.00 -0.65 0.00 0.00 174.74 173.31 1pc5 h PRO 36 N 10.04 0.00 0.00 2.88 0.13 -1.88 -1.51 132.00 141.66 1pc5 h PRO 36 Ca -0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 1pc5 h PRO 36 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1pc5 h PRO 36 CO 1.08 0.12 -0.79 -0.44 -0.23 0.00 0.00 178.00 177.74 1pc5 h ASP 37 N 0.00 0.00 0.50 1.44 3.32 -1.99 -3.35 116.42 116.35 1pc5 h ASP 37 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1pc5 h ASP 37 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1pc5 h ASP 37 CO 0.02 0.79 -1.67 -0.62 -1.72 0.00 0.00 179.24 176.04 1pc5 n GLU 38 N -3.44 0.63 -1.86 3.56 1.02 -0.91 -4.91 120.64 114.74 1pc5 n GLU 38 Ca 0.00 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1pc5 n GLU 38 Cb 0.81 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1pc5 n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pc5 n ILE 40 N 2.68 1.83 -3.03 0.00 -5.35 -1.26 -4.72 119.36 109.51 1pc5 n ILE 40 Ca 0.09 -1.53 -0.23 0.00 -0.27 0.00 0.00 62.75 60.82 1pc5 n ILE 40 Cb 0.38 0.03 0.04 0.00 -1.74 0.00 0.00 39.64 38.35 1pc5 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1pc5 n ASP 41 N -0.04 -6.19 0.24 7.28 9.92 -1.26 -4.88 116.55 121.61 1pc5 n ASP 41 Ca 0.18 -0.29 0.15 0.00 -0.53 0.00 0.00 54.79 54.30 1pc5 n ASP 41 Cb 0.74 -5.00 0.53 0.00 -0.64 0.00 0.00 41.12 36.75 1pc5 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pc5 n ALA 43 N -2.04 0.00 0.23 0.00 0.00 -1.26 -4.90 120.51 112.54 1pc5 n ALA 43 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1pc5 n ALA 43 Cb 0.35 -0.52 0.54 0.00 0.00 0.00 0.00 19.45 19.83 1pc5 n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pc5 h LEU 44 N 0.00 0.00 -0.81 0.00 3.38 -1.90 -2.70 115.31 113.28 1pc5 h LEU 44 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1pc5 h LEU 44 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pc5 h LEU 44 CO 0.00 0.23 -0.31 0.00 0.09 0.00 0.00 178.44 178.44 1pc5 h GLU 46 N 0.00 -0.19 0.00 0.00 4.22 -1.82 -0.93 114.58 115.86 1pc5 h GLU 46 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1pc5 h GLU 46 Cb 0.92 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1pc5 h GLU 46 CO 0.04 -0.12 0.00 -0.35 -2.18 0.00 0.00 179.01 176.40 1pc5 n PRO 47 N -5.25 0.04 0.16 0.92 -0.04 -1.26 -3.05 135.00 126.52 1pc5 n PRO 47 Ca -0.05 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1pc5 n PRO 47 Cb 0.17 -1.56 0.23 0.00 -0.04 0.00 0.00 33.50 32.30 1pc5 n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pc5 h GLU 48 N 0.00 0.00 -6.29 0.54 4.39 -1.33 -3.44 114.58 108.45 1pc5 h GLU 48 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1pc5 h GLU 48 Cb 0.35 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.91 1pc5 h GLU 48 CO 0.00 0.00 0.68 0.00 -1.16 0.00 0.00 179.01 178.53 1pc5 h GLY 50 N 10.68 0.00 -1.20 0.00 0.00 -1.91 -0.52 103.07 110.13 1pc5 h GLY 50 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1pc5 h GLY 50 CO 1.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.59 1pc5 n ALA 51 N -1.89 2.51 -3.55 3.60 0.00 -1.26 -4.92 120.51 115.00 1pc5 n ALA 51 Ca -0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.57 1pc5 n ALA 51 Cb 0.14 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 1pc5 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pc5 n GLN 52 N 0.72 -3.70 0.09 0.00 6.02 -0.20 -4.81 117.38 115.50 1pc5 n GLN 52 Ca 0.17 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.78 1pc5 n GLN 52 Cb 0.45 -5.24 0.27 0.00 1.02 0.00 0.00 30.24 26.75 1pc5 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pc5 h ALA 53 N 0.96 0.79 -2.96 -1.58 0.00 -1.91 -3.47 119.26 111.10 1pc5 h ALA 53 Ca -0.48 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 1pc5 h ALA 53 Cb 1.32 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1pc5 h ALA 53 CO 0.59 0.00 -0.39 0.42 0.00 0.00 0.00 179.25 179.86 1pc5 s ILE 54 N -3.15 5.35 0.05 0.00 1.01 -1.26 -0.33 121.20 122.88 1pc5 s ILE 54 Ca 0.08 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.17 1pc5 s ILE 54 Cb 0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1pc5 s ILE 54 CO 0.66 0.49 -0.12 -0.36 0.00 0.00 0.00 174.94 175.61 1pc5 s PHE 55 N -0.17 1.03 0.49 3.97 0.40 -0.81 -4.89 117.98 118.00 1pc5 s PHE 55 Ca 0.15 -0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 55.80 1pc5 s PHE 55 Cb -0.13 -0.59 -0.07 0.00 0.51 0.00 0.00 43.02 42.74 1pc5 s PHE 55 CO 0.04 0.01 1.29 0.45 0.70 0.00 0.00 175.22 177.71 1pc5 n SER 56 N 1.49 2.52 -0.25 1.36 2.88 -1.26 -0.79 113.62 119.58 1pc5 n SER 56 Ca -0.21 1.03 0.03 0.00 -1.33 0.00 0.00 58.87 58.39 1pc5 n SER 56 Cb 0.54 -1.53 0.15 0.00 -0.75 0.00 0.00 64.21 62.63 1pc5 n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1pc5 h GLU 57 N 1.72 0.52 0.00 -1.46 4.81 -1.50 0.22 114.58 118.89 1pc5 h GLU 57 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1pc5 h GLU 57 Cb 1.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1pc5 h GLU 57 CO 0.58 0.34 0.00 -0.40 -0.73 0.00 0.00 179.01 178.80 1pc5 n ASP 58 N -4.92 0.00 -0.50 1.04 5.68 -1.26 -2.46 116.55 114.14 1pc5 n ASP 58 Ca 0.12 -0.72 0.05 0.00 -0.50 0.00 0.00 54.79 53.74 1pc5 n ASP 58 Cb 0.32 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.43 1pc5 n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pc5 n GLU 59 N -0.99 2.86 -1.73 0.11 1.02 0.76 -5.01 120.64 117.66 1pc5 n GLU 59 Ca 0.17 -2.01 -0.42 0.00 -0.02 0.00 0.00 57.16 54.87 1pc5 n GLU 59 Cb 0.08 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1pc5 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pc5 s VAL 60 N -1.22 2.43 0.51 2.62 1.01 -1.00 -4.85 120.40 119.90 1pc5 s VAL 60 Ca 0.20 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1pc5 s VAL 60 Cb 0.12 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 1pc5 s VAL 60 CO 0.11 0.00 0.76 -2.65 0.00 0.00 0.00 175.10 173.33 1pc5 n PRO 61 N 5.21 0.83 -0.35 2.72 -0.02 -1.26 -4.81 135.00 137.33 1pc5 n PRO 61 Ca 0.17 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1pc5 n PRO 61 Cb 0.37 -1.87 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 1pc5 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pc5 h GLU 62 N 0.73 0.74 -0.13 -0.52 4.22 -2.01 -0.85 114.58 116.76 1pc5 h GLU 62 Ca -0.45 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1pc5 h GLU 62 Cb 1.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pc5 h GLU 62 CO 0.51 0.49 0.00 -0.40 -2.18 0.00 0.00 179.01 177.43 1pc5 n ASP 63 N -4.77 0.52 -0.23 1.04 5.68 -1.26 -3.10 116.55 114.42 1pc5 n ASP 63 Ca 0.22 -2.01 0.02 0.00 -0.50 0.00 0.00 54.79 52.52 1pc5 n ASP 63 Cb 0.53 -0.08 0.02 0.00 -1.14 0.00 0.00 41.12 40.46 1pc5 n ASP 63 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1pc5 n MET 64 N -0.23 0.56 0.03 0.11 2.81 -0.33 -4.86 117.12 115.21 1pc5 n MET 64 Ca 0.03 -1.19 0.20 0.00 -1.81 0.00 0.00 57.70 54.93 1pc5 n MET 64 Cb 0.09 -0.73 0.71 0.00 -0.71 0.00 0.00 33.22 32.58 1pc5 n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1pc5 h GLN 65 N 0.00 0.00 -0.09 0.03 1.08 -1.47 -0.22 115.11 114.45 1pc5 h GLN 65 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1pc5 h GLN 65 Cb 1.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1pc5 h GLN 65 CO 0.00 0.00 0.07 1.05 -0.95 0.00 0.00 178.83 179.00 1pc5 h GLU 66 N 0.00 0.00 0.00 1.46 9.09 -1.89 -0.52 114.58 122.72 1pc5 h GLU 66 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 1pc5 h GLU 66 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1pc5 h GLU 66 CO -0.00 0.00 0.00 0.74 0.05 0.00 0.00 179.01 179.80 1pc5 h PHE 67 N 0.00 0.00 0.23 2.06 0.04 -1.38 -1.62 116.94 116.27 1pc5 h PHE 67 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1pc5 h PHE 67 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1pc5 h PHE 67 CO 0.00 0.00 -0.11 0.82 -0.60 0.00 0.00 178.31 178.42 1pc5 h ILE 68 N 0.00 0.81 0.00 -0.55 2.04 -1.26 -1.26 117.51 117.29 1pc5 h ILE 68 Ca 0.00 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1pc5 h ILE 68 Cb 0.23 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1pc5 h ILE 68 CO 0.00 0.16 -0.33 0.06 0.00 0.00 0.00 178.15 178.04 1pc5 h GLN 69 N -0.74 0.00 -0.71 2.37 3.07 -1.69 -2.71 115.11 114.69 1pc5 h GLN 69 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 1pc5 h GLN 69 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.02 1pc5 h GLN 69 CO 0.05 0.33 0.34 1.25 0.09 0.00 0.00 178.83 180.89 1pc5 h LEU 70 N 0.00 0.92 -0.31 0.06 5.85 -1.14 0.27 115.31 120.96 1pc5 h LEU 70 Ca -0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1pc5 h LEU 70 Cb 1.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1pc5 h LEU 70 CO 0.04 0.78 0.18 0.78 -0.34 0.00 0.00 178.44 179.88 1pc5 h ASN 71 N 1.01 0.38 -0.57 1.25 -0.26 -0.93 -0.52 115.58 115.95 1pc5 h ASN 71 Ca 0.25 -0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.94 1pc5 h ASN 71 Cb 0.11 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.24 1pc5 h ASN 71 CO -0.03 0.35 0.35 0.00 -1.06 0.00 0.00 177.43 177.03 1pc5 h ALA 72 N 1.05 0.74 -0.02 -0.83 0.00 -1.10 0.14 119.26 119.24 1pc5 h ALA 72 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pc5 h ALA 72 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pc5 h ALA 72 CO -0.02 0.07 -0.00 0.93 0.00 0.00 0.00 179.25 180.23 1pc5 h GLU 73 N 0.69 0.03 0.00 0.00 5.08 -0.75 -3.12 114.58 116.51 1pc5 h GLU 73 Ca 0.23 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1pc5 h GLU 73 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pc5 h GLU 73 CO -0.10 0.34 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.88 1pc5 h LEU 74 N -0.28 0.00 -2.17 1.33 3.38 -0.99 -2.83 115.31 113.75 1pc5 h LEU 74 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pc5 h LEU 74 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pc5 h LEU 74 CO 0.00 0.31 -0.01 0.00 0.09 0.00 0.00 178.44 178.83 1pc5 h ALA 75 N 1.69 1.02 0.00 1.53 0.00 -0.65 -1.30 119.26 121.56 1pc5 h ALA 75 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pc5 h ALA 75 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pc5 h ALA 75 CO 0.04 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.69 1pc5 n GLU 76 N -3.13 0.25 0.00 0.00 4.71 -1.07 -4.27 120.64 117.12 1pc5 n GLU 76 Ca -0.01 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1pc5 n GLU 76 Cb 0.20 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.83 1pc5 n GLU 76 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1pc5 n VAL 77 N -2.23 0.00 -3.94 2.62 0.24 -0.56 -5.05 118.33 109.42 1pc5 n VAL 77 Ca 0.05 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.34 61.72 1pc5 n VAL 77 Cb 0.41 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 1pc5 n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1pc5 s TRP 78 N -0.67 3.48 0.41 6.34 0.51 -0.78 -5.09 118.94 123.14 1pc5 s TRP 78 Ca 0.00 0.17 -0.24 0.00 -2.12 0.00 0.00 56.10 53.91 1pc5 s TRP 78 Cb 0.00 -1.70 -0.09 0.00 -0.81 0.00 0.00 33.47 30.87 1pc5 s TRP 78 CO 0.00 0.55 1.06 -1.25 -0.51 0.00 0.00 176.95 176.80 1pc5 s PRO 79 N -2.90 4.13 0.48 4.98 0.04 -1.26 -4.61 135.00 135.86 1pc5 s PRO 79 Ca 0.34 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1pc5 s PRO 79 Cb -0.12 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 1pc5 s PRO 79 CO 0.28 -0.18 1.41 1.21 0.04 0.00 0.00 177.00 179.76 1pc5 s ASN 80 N -1.56 5.68 -0.08 6.66 3.04 -1.26 -0.28 114.94 127.14 1pc5 s ASN 80 Ca 0.58 2.88 0.01 0.00 0.04 0.00 0.00 52.86 56.37 1pc5 s ASN 80 Cb -0.22 -2.65 0.02 0.00 -1.54 0.00 0.00 41.25 36.86 1pc5 s ASN 80 CO 0.28 -1.31 -0.09 -0.51 -3.04 0.00 0.00 177.10 172.43 1pc5 s ILE 81 N -1.23 0.99 0.00 -5.21 2.07 -0.45 -4.76 121.20 112.61 1pc5 s ILE 81 Ca 0.64 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1pc5 s ILE 81 Cb -0.43 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.21 1pc5 s ILE 81 CO 0.54 0.34 0.32 0.35 -1.91 0.00 0.00 174.94 174.58 1pc5 n THR 82 N 4.25 0.00 -4.75 4.00 -2.24 -1.26 -4.41 114.28 109.87 1pc5 n THR 82 Ca -0.19 -0.35 -0.24 0.00 -2.27 0.00 0.00 64.05 61.00 1pc5 n THR 82 Cb 0.51 1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 69.87 1pc5 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pc5 s GLU 83 N -0.05 1.36 0.37 -0.78 2.02 -1.26 -4.65 118.70 115.72 1pc5 s GLU 83 Ca 0.00 -0.56 -0.27 0.00 0.02 0.00 0.00 54.97 54.15 1pc5 s GLU 83 Cb 0.00 -1.29 -0.11 0.00 0.10 0.00 0.00 34.13 32.83 1pc5 s GLU 83 CO 0.00 0.31 1.34 1.17 0.02 0.00 0.00 175.26 178.11 1pc5 n LYS 84 N 2.80 2.24 -4.34 1.61 4.81 -1.26 -4.99 118.16 119.03 1pc5 n LYS 84 Ca -0.15 0.79 -0.18 0.00 -0.87 0.00 0.00 58.31 57.89 1pc5 n LYS 84 Cb 0.54 -2.44 -0.09 0.00 0.02 0.00 0.00 35.03 33.06 1pc5 n LYS 84 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1pc5 s LYS 85 N -2.03 1.55 0.34 1.64 -2.85 -1.26 -5.11 119.74 112.02 1pc5 s LYS 85 Ca 0.56 -1.88 -0.29 0.00 -1.00 0.00 0.00 55.97 53.37 1pc5 s LYS 85 Cb -0.53 -0.16 -0.11 0.00 -2.06 0.00 0.00 37.83 34.97 1pc5 s LYS 85 CO 0.62 -0.41 1.37 -0.51 0.10 0.00 0.00 175.35 176.52 1pc5 s ASP 86 N -3.37 6.63 1.06 0.03 -0.00 -1.26 -4.66 116.67 115.11 1pc5 s ASP 86 Ca 0.36 2.80 -0.14 0.00 -0.00 0.00 0.00 52.55 55.57 1pc5 s ASP 86 Cb 0.06 -2.65 0.15 0.00 -0.00 0.00 0.00 42.92 40.48 1pc5 s ASP 86 CO 0.16 -0.65 0.62 -2.65 -0.00 0.00 0.00 175.17 172.65 1pc5 n PRO 87 N 0.78 -1.34 -1.77 8.23 -0.02 -1.26 -4.93 135.00 134.69 1pc5 n PRO 87 Ca 0.01 -0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 60.79 1pc5 n PRO 87 Cb 0.41 -2.01 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1pc5 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pc5 s LEU 88 N -4.04 3.48 0.46 2.45 1.43 -0.54 -4.93 118.68 117.00 1pc5 s LEU 88 Ca 0.62 2.27 -0.24 0.00 -1.03 0.00 0.00 54.13 55.75 1pc5 s LEU 88 Cb -0.20 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.36 1pc5 s LEU 88 CO 0.65 -1.81 1.35 -2.16 0.23 0.00 0.00 176.35 174.60 1pc5 s PRO 89 N -3.71 3.65 -1.31 1.29 0.04 -1.26 -1.41 135.00 132.29 1pc5 s PRO 89 Ca 0.74 2.23 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1pc5 s PRO 89 Cb -0.27 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1pc5 s PRO 89 CO 0.39 -0.78 0.00 -0.25 0.04 0.00 0.00 177.00 176.40 1pc5 n ASP 90 N -0.32 -5.23 -0.30 6.66 8.00 -1.26 -4.87 116.55 119.23 1pc5 n ASP 90 Ca 0.06 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.97 1pc5 n ASP 90 Cb 0.44 -3.82 0.26 0.00 -0.02 0.00 0.00 41.12 37.98 1pc5 n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pc5 h ALA 91 N 0.00 1.33 -0.98 2.24 0.00 -1.40 -1.85 119.26 118.60 1pc5 h ALA 91 Ca -0.25 0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1pc5 h ALA 91 Cb 1.05 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1pc5 h ALA 91 CO 0.37 -0.23 0.63 1.05 0.00 0.00 0.00 179.25 181.07 1pc5 h GLU 92 N 0.49 1.01 -0.03 0.00 4.11 -1.89 -0.86 114.58 117.40 1pc5 h GLU 92 Ca 0.50 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.85 1pc5 h GLU 92 Cb 0.85 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1pc5 h GLU 92 CO -0.45 0.67 -0.08 -0.44 0.07 0.00 0.00 179.01 178.78 1pc5 h ASP 93 N 1.04 0.04 0.03 3.06 3.45 -1.72 -2.94 116.42 119.37 1pc5 h ASP 93 Ca 0.45 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 1pc5 h ASP 93 Cb 0.35 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1pc5 h ASP 93 CO -0.21 0.12 -0.61 0.79 -1.57 0.00 0.00 179.24 177.76 1pc5 n TRP 94 N -4.43 0.00 -2.17 4.55 7.02 -0.42 -4.76 117.44 117.23 1pc5 n TRP 94 Ca -0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 1pc5 n TRP 94 Cb 0.17 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.02 1pc5 n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1pc5 s ASP 95 N -2.65 6.29 0.00 -0.99 3.68 -0.64 -2.35 116.67 120.01 1pc5 s ASP 95 Ca 0.16 1.35 0.00 0.00 2.13 0.00 0.00 52.55 56.18 1pc5 s ASP 95 Cb 0.18 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 1pc5 s ASP 95 CO 0.66 -1.37 0.00 0.61 0.13 0.00 0.00 175.17 175.20 1pc5 n GLY 96 N 4.88 2.48 3.74 2.66 0.00 -1.26 -5.03 105.19 112.65 1pc5 n GLY 96 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1pc5 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pc5 s VAL 97 N -2.53 3.63 0.51 1.61 1.01 -0.99 -5.02 120.40 118.62 1pc5 s VAL 97 Ca 0.00 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 1pc5 s VAL 97 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1pc5 s VAL 97 CO 0.00 0.21 0.75 -0.54 0.00 0.00 0.00 175.10 175.52 1pc5 s LYS 98 N -0.15 2.85 -1.45 2.72 1.02 -1.26 -4.43 119.74 119.04 1pc5 s LYS 98 Ca 0.53 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.91 1pc5 s LYS 98 Cb -0.32 -2.48 0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1pc5 s LYS 98 CO 0.36 -0.50 1.01 0.41 -0.92 0.00 0.00 175.35 175.71 1pc5 n GLY 99 N -2.26 -0.53 0.00 -3.33 0.00 -1.26 -4.88 105.19 92.94 1pc5 n GLY 99 Ca 0.04 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1pc5 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pc5 n LYS 100 N -4.72 0.39 -0.17 1.61 5.02 -1.26 -2.92 118.16 116.11 1pc5 n LYS 100 Ca 0.01 0.06 0.18 0.00 -2.02 0.00 0.00 58.31 56.54 1pc5 n LYS 100 Cb 0.55 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.61 1pc5 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1pc5 h LEU 101 N 0.00 0.32 -1.86 -0.35 5.85 -1.89 0.35 115.31 117.73 1pc5 h LEU 101 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1pc5 h LEU 101 Cb 0.16 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1pc5 h LEU 101 CO 0.00 0.15 0.00 0.06 -0.34 0.00 0.00 178.44 178.31 1pc5 h GLN 102 N 0.33 0.00 -0.01 1.25 3.07 -1.94 -1.66 115.11 116.15 1pc5 h GLN 102 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.13 1pc5 h GLN 102 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 1pc5 h GLN 102 CO -0.12 0.00 -0.52 0.72 0.09 0.00 0.00 178.83 179.01 1pc5 n HIS 103 N -2.64 0.00 -1.66 0.06 8.25 0.12 -5.00 115.22 114.35 1pc5 n HIS 103 Ca -0.01 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.97 1pc5 n HIS 103 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 1pc5 n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1pc5 n LEU 104 N -0.18 2.97 -4.68 2.41 7.94 -0.63 -4.98 117.00 119.85 1pc5 n LEU 104 Ca 0.08 1.06 -0.35 0.00 -1.11 0.00 0.00 56.01 55.69 1pc5 n LEU 104 Cb 0.44 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.93 1pc5 n LEU 104 CO 0.29 -0.33 -0.27 -1.61 -1.11 0.00 0.00 177.39 174.36 1pc5 s GLU 105 N 1.80 3.51 0.00 1.96 2.02 -1.26 -5.11 118.70 121.62 1pc5 s GLU 105 Ca 0.84 -0.35 0.28 0.00 0.02 0.00 0.00 54.97 55.76 1pc5 s GLU 105 Cb -0.74 -3.03 0.95 0.00 0.10 0.00 0.00 34.13 31.41 1pc5 s GLU 105 CO 0.44 0.50 1.69 -2.13 0.02 0.00 0.00 175.26 175.78