#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it1 s PRO 2 N 0.00 3.52 -0.74 0.00 0.04 -1.26 -5.00 135.00 131.56 1it1 s PRO 2 Ca 0.00 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 1it1 s PRO 2 Cb 0.00 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.68 1it1 s PRO 2 CO 0.00 -0.68 0.59 -1.59 0.04 0.00 0.00 177.00 175.36 1it1 s LYS 3 N -3.40 2.92 0.11 4.56 0.00 -1.26 -5.05 119.74 117.61 1it1 s LYS 3 Ca 0.69 -2.76 -0.34 0.00 0.00 0.00 0.00 55.97 53.55 1it1 s LYS 3 Cb -0.19 -3.89 -0.18 0.00 0.00 0.00 0.00 37.83 33.57 1it1 s LYS 3 CO 0.26 -1.22 0.93 0.00 0.00 0.00 0.00 175.35 175.32 1it1 n ALA 4 N 3.17 -2.61 -1.73 0.59 0.00 -1.26 -4.88 120.51 113.79 1it1 n ALA 4 Ca 0.13 0.51 -0.32 0.00 0.00 0.00 0.00 53.44 53.77 1it1 n ALA 4 Cb 0.39 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.06 1it1 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1it1 s PRO 5 N -0.41 3.40 0.74 0.00 0.04 -1.26 -5.00 135.00 132.51 1it1 s PRO 5 Ca 0.78 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1it1 s PRO 5 Cb -1.05 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 31.45 1it1 s PRO 5 CO 0.55 -0.73 0.91 0.00 0.04 0.00 0.00 177.00 177.78 1it1 n ALA 6 N -2.53 -0.49 -0.86 8.56 0.00 -1.26 -4.68 120.51 119.25 1it1 n ALA 6 Ca 0.07 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1it1 n ALA 6 Cb 0.54 -2.08 0.15 0.00 0.00 0.00 0.00 19.45 18.06 1it1 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1it1 s ASP 7 N -1.69 3.16 0.00 0.00 1.01 -1.26 -4.04 116.67 113.85 1it1 s ASP 7 Ca 0.72 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.95 1it1 s ASP 7 Cb -0.33 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1it1 s ASP 7 CO 0.52 -2.92 0.00 0.61 0.21 0.00 0.00 175.17 173.59 1it1 n GLY 8 N -0.20 0.90 3.64 0.21 0.00 -0.19 -4.91 105.19 104.65 1it1 n GLY 8 Ca 0.10 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1it1 n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1it1 s LEU 9 N 0.00 4.11 -0.39 0.99 0.20 0.23 -4.63 118.68 119.19 1it1 s LEU 9 Ca 0.00 2.12 -0.20 0.00 0.69 0.00 0.00 54.13 56.74 1it1 s LEU 9 Cb 0.00 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 1it1 s LEU 9 CO 0.00 -1.19 0.61 -0.54 -0.29 0.00 0.00 176.35 174.94 1it1 s LYS 10 N 4.64 3.50 -0.42 1.98 1.02 -1.26 0.27 119.74 129.48 1it1 s LYS 10 Ca 0.80 -0.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.42 1it1 s LYS 10 Cb -0.33 -3.87 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 1it1 s LYS 10 CO 0.33 -0.83 0.62 1.41 -0.92 0.00 0.00 175.35 175.97 1it1 s MET 11 N 2.68 3.37 -0.14 1.68 1.75 0.11 -4.89 119.30 123.86 1it1 s MET 11 Ca 0.22 -0.30 0.15 0.00 -1.25 0.00 0.00 55.69 54.52 1it1 s MET 11 Cb -0.15 -3.92 0.49 0.00 2.84 0.00 0.00 34.83 34.10 1it1 s MET 11 CO 0.16 -0.93 1.39 -0.40 -0.65 0.00 0.00 175.02 174.60 1it1 n ASP 12 N 6.15 3.71 -0.12 1.11 5.75 -1.26 -1.33 116.55 130.57 1it1 n ASP 12 Ca -0.02 -2.82 0.27 0.00 -0.01 0.00 0.00 54.79 52.22 1it1 n ASP 12 Cb 0.48 -0.48 0.71 0.00 -1.03 0.00 0.00 41.12 40.80 1it1 n ASP 12 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1it1 h LYS 13 N 1.87 0.00 0.00 0.11 1.79 -1.92 -3.42 116.57 115.00 1it1 h LYS 13 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 1it1 h LYS 13 Cb 1.31 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.85 1it1 h LYS 13 CO 0.18 0.00 -0.41 0.25 -1.08 0.00 0.00 179.45 178.40 1it1 n THR 14 N -3.94 0.00 0.24 -0.16 -2.24 -1.26 -4.98 114.28 101.95 1it1 n THR 14 Ca 0.17 -2.07 0.12 0.00 -2.27 0.00 0.00 64.05 60.00 1it1 n THR 14 Cb 0.97 0.39 0.59 0.00 -2.10 0.00 0.00 70.33 70.18 1it1 n THR 14 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1it1 h LYS 15 N 0.00 0.00 -3.55 -0.78 1.57 -1.97 -3.33 116.57 108.51 1it1 h LYS 15 Ca -0.36 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.66 1it1 h LYS 15 Cb 1.11 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.11 1it1 h LYS 15 CO 0.60 0.16 0.14 -0.65 -0.57 0.00 0.00 179.45 179.13 1it1 s GLN 16 N -3.80 3.65 0.05 3.15 1.11 -1.26 -5.03 119.66 117.54 1it1 s GLN 16 Ca -0.00 -3.00 -0.31 0.00 0.01 0.00 0.00 55.36 52.06 1it1 s GLN 16 Cb 0.11 -4.28 -0.07 0.00 -1.01 0.00 0.00 33.01 27.76 1it1 s GLN 16 CO 0.60 -1.25 1.53 -1.25 0.01 0.00 0.00 175.29 174.93 1it1 s PRO 17 N -0.86 4.24 -0.09 2.91 0.04 -1.25 -4.92 135.00 135.07 1it1 s PRO 17 Ca 0.26 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1it1 s PRO 17 Cb -0.10 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1it1 s PRO 17 CO -0.09 -0.64 -0.12 0.08 0.04 0.00 0.00 177.00 176.27 1it1 s VAL 18 N 2.32 3.24 -0.35 -0.36 1.01 -0.44 -4.84 120.40 120.99 1it1 s VAL 18 Ca 0.69 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 1it1 s VAL 18 Cb -0.37 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1it1 s VAL 18 CO 0.30 0.56 0.64 -0.69 0.00 0.00 0.00 175.10 175.91 1it1 s VAL 19 N -0.31 4.89 0.07 2.92 1.01 -1.25 0.08 120.40 127.81 1it1 s VAL 19 Ca 0.03 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1it1 s VAL 19 Cb -0.13 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 1it1 s VAL 19 CO 0.03 -0.30 0.60 0.12 0.00 0.00 0.00 175.10 175.55 1it1 s PHE 20 N 2.70 3.80 -0.48 5.22 5.36 0.78 -4.72 117.98 130.65 1it1 s PHE 20 Ca 0.24 1.31 -0.00 0.00 -0.96 0.00 0.00 56.93 57.52 1it1 s PHE 20 Cb -0.14 -2.56 0.13 0.00 -0.34 0.00 0.00 43.02 40.11 1it1 s PHE 20 CO 0.15 0.54 0.25 1.21 -1.46 0.00 0.00 175.22 175.91 1it1 s ASN 21 N -0.94 4.99 0.43 6.13 3.04 -1.26 0.75 114.94 128.08 1it1 s ASN 21 Ca 0.30 -2.48 0.22 0.00 0.04 0.00 0.00 52.86 50.95 1it1 s ASN 21 Cb -0.20 -1.76 1.19 0.00 -1.54 0.00 0.00 41.25 38.94 1it1 s ASN 21 CO 0.20 -0.41 1.80 0.45 -3.04 0.00 0.00 177.10 176.11 1it1 h HIS 22 N 7.39 0.49 -0.86 0.43 3.86 -1.83 0.16 115.15 124.78 1it1 h HIS 22 Ca -0.07 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.34 1it1 h HIS 22 Cb 0.99 -0.14 -0.11 0.00 1.06 0.00 0.00 27.41 29.20 1it1 h HIS 22 CO 0.57 0.07 0.40 1.03 0.86 0.00 0.00 177.93 180.86 1it1 h SER 23 N 0.31 0.39 0.58 2.45 0.87 -1.92 2.95 113.55 119.19 1it1 h SER 23 Ca 0.55 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 1it1 h SER 23 Cb 1.55 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1it1 h SER 23 CO -0.21 0.09 0.00 0.41 -0.53 0.00 0.00 176.83 176.60 1it1 n THR 24 N -4.98 0.34 0.03 2.23 -1.04 0.54 -2.92 114.28 108.48 1it1 n THR 24 Ca 0.19 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1it1 n THR 24 Cb 0.54 -0.70 -0.00 0.00 -1.82 0.00 0.00 70.33 68.35 1it1 n THR 24 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1it1 n HIS 25 N -1.38 0.00 0.13 -1.42 8.25 0.50 -4.61 115.22 116.69 1it1 n HIS 25 Ca 0.09 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.74 1it1 n HIS 25 Cb 0.22 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.10 1it1 n HIS 25 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1it1 h LYS 26 N 0.06 0.00 -0.01 -0.41 2.10 0.47 1.02 116.57 119.80 1it1 h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1it1 h LYS 26 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1it1 h LYS 26 CO 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 179.45 177.16 1it1 n ALA 27 N -2.33 3.15 -1.94 0.07 0.00 -1.26 -4.91 120.51 113.29 1it1 n ALA 27 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 1it1 n ALA 27 Cb 0.52 -1.03 0.17 0.00 0.00 0.00 0.00 19.45 19.11 1it1 n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1it1 s VAL 28 N -2.44 2.02 -0.53 0.00 1.01 0.35 -4.98 120.40 115.83 1it1 s VAL 28 Ca 0.24 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1it1 s VAL 28 Cb 0.19 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1it1 s VAL 28 CO 0.51 0.00 0.78 -0.54 0.00 0.00 0.00 175.10 175.85 1it1 s LYS 29 N -5.77 3.21 0.62 2.72 3.01 -1.26 -4.86 119.74 117.41 1it1 s LYS 29 Ca 0.72 -0.63 0.24 0.00 -1.01 0.00 0.00 55.97 55.30 1it1 s LYS 29 Cb -0.04 -4.09 1.10 0.00 -1.01 0.00 0.00 37.83 33.79 1it1 s LYS 29 CO 0.52 -1.37 1.56 0.00 0.51 0.00 0.00 175.35 176.57 1it1 n GLY 31 N -1.54 -1.43 0.09 0.00 0.00 -1.26 -1.10 105.19 99.94 1it1 n GLY 31 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1it1 n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1it1 h ASP 32 N 0.00 0.19 0.00 1.61 1.82 0.54 -1.44 116.42 119.13 1it1 h ASP 32 Ca 0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1it1 h ASP 32 Cb 0.71 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1it1 h ASP 32 CO 0.00 1.12 -0.68 0.00 -1.61 0.00 0.00 179.24 178.07 1it1 n HIS 34 N -4.57 1.08 -0.71 0.00 8.25 -0.26 -4.98 115.22 114.03 1it1 n HIS 34 Ca -0.10 -1.76 -0.23 0.00 -0.26 0.00 0.00 57.72 55.37 1it1 n HIS 34 Cb 0.35 -1.19 0.01 0.00 1.12 0.00 0.00 29.99 30.28 1it1 n HIS 34 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1it1 n HIS 35 N 1.10 -2.35 -1.90 4.41 1.44 -0.54 -3.53 115.22 113.85 1it1 n HIS 35 Ca 0.36 0.16 -0.38 0.00 -2.01 0.00 0.00 57.72 55.86 1it1 n HIS 35 Cb 0.63 -0.98 -0.03 0.00 0.12 0.00 0.00 29.99 29.72 1it1 n HIS 35 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1it1 s PRO 36 N -0.86 2.48 0.20 -1.40 0.04 -1.26 -3.43 135.00 130.77 1it1 s PRO 36 Ca 0.31 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.16 1it1 s PRO 36 Cb -0.23 -4.44 -0.06 0.00 0.04 0.00 0.00 34.50 29.81 1it1 s PRO 36 CO 0.45 -2.88 0.45 0.08 0.04 0.00 0.00 177.00 175.14 1it1 s VAL 37 N 9.97 5.09 -0.79 -0.36 1.01 0.71 -4.05 120.40 131.98 1it1 s VAL 37 Ca 0.76 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1it1 s VAL 37 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1it1 s VAL 37 CO 0.22 -0.10 0.00 -3.20 0.00 0.00 0.00 175.10 172.02 1it1 n ASN 38 N -0.32 -2.57 0.00 3.32 4.05 -1.26 0.35 115.26 118.83 1it1 n ASN 38 Ca -0.02 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.26 1it1 n ASN 38 Cb 0.53 -2.39 0.00 0.00 1.23 0.00 0.00 39.78 39.14 1it1 n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1it1 n GLY 39 N -0.43 1.43 3.00 8.20 0.00 -1.26 -5.01 105.19 111.12 1it1 n GLY 39 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1it1 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1it1 s LYS 40 N -0.46 0.72 -0.31 1.61 1.02 1.08 -4.97 119.74 118.43 1it1 s LYS 40 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1it1 s LYS 40 Cb 0.00 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1it1 s LYS 40 CO 0.00 0.16 1.52 -1.21 -0.92 0.00 0.00 175.35 174.90 1it1 s GLU 41 N -0.08 3.69 -0.56 1.68 2.02 -1.26 0.25 118.70 124.45 1it1 s GLU 41 Ca 0.02 1.34 -0.26 0.00 0.02 0.00 0.00 54.97 56.08 1it1 s GLU 41 Cb -0.05 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 1it1 s GLU 41 CO -0.00 -1.42 2.05 -0.51 0.02 0.00 0.00 175.26 175.40 1it1 s ASP 42 N 4.13 5.01 -1.56 -0.19 1.01 -1.22 -4.82 116.67 119.03 1it1 s ASP 42 Ca 0.67 0.64 -0.10 0.00 0.71 0.00 0.00 52.55 54.47 1it1 s ASP 42 Cb -0.20 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1it1 s ASP 42 CO 0.29 -2.52 2.77 -1.22 0.21 0.00 0.00 175.17 174.71 1it1 n TYR 43 N 13.73 2.58 -4.30 4.23 4.01 -1.26 -4.72 117.16 131.43 1it1 n TYR 43 Ca 0.26 -3.04 -0.16 0.00 -0.16 0.00 0.00 57.90 54.81 1it1 n TYR 43 Cb 0.53 -2.39 -0.10 0.00 -0.31 0.00 0.00 39.34 37.06 1it1 n TYR 43 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1it1 s GLN 44 N 1.75 1.37 -0.11 -0.72 -2.07 -1.26 -5.05 119.66 113.57 1it1 s GLN 44 Ca 0.64 -1.74 -0.40 0.00 -1.82 0.00 0.00 55.36 52.04 1it1 s GLN 44 Cb 0.17 -0.18 -0.19 0.00 -1.09 0.00 0.00 33.01 31.73 1it1 s GLN 44 CO -0.07 -0.31 1.33 1.63 -1.32 0.00 0.00 175.29 176.56 1it1 n LYS 45 N -0.43 0.46 -0.33 9.60 5.02 -1.26 -4.73 118.16 126.49 1it1 n LYS 45 Ca 0.00 0.17 0.25 0.00 -2.02 0.00 0.00 58.31 56.71 1it1 n LYS 45 Cb 0.66 -1.73 0.48 0.00 -0.02 0.00 0.00 35.03 34.42 1it1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1it1 n ALA 47 N -2.54 6.30 -0.86 0.00 0.00 -1.26 -2.49 120.51 119.66 1it1 n ALA 47 Ca 0.32 -4.36 -0.03 0.00 0.00 0.00 0.00 53.44 49.38 1it1 n ALA 47 Cb 1.08 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 18.31 1it1 n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1it1 n THR 48 N 0.24 0.00 -1.09 0.00 -1.04 0.44 -4.45 114.28 108.38 1it1 n THR 48 Ca 0.51 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.23 1it1 n THR 48 Cb 0.27 -0.14 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 1it1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 n ALA 49 N -2.39 6.55 0.00 2.41 0.00 -1.26 -3.16 120.51 122.67 1it1 n ALA 49 Ca -0.03 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1it1 n ALA 49 Cb 0.09 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1it1 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1it1 n GLY 50 N 3.37 -0.12 0.00 0.00 0.00 -1.26 -5.06 105.19 102.13 1it1 n GLY 50 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1it1 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n HIS 52 N -0.28 3.08 -1.20 0.00 8.25 -1.04 -4.33 115.22 119.70 1it1 n HIS 52 Ca 0.00 -2.66 -0.20 0.00 -0.26 0.00 0.00 57.72 54.59 1it1 n HIS 52 Cb 0.00 -0.64 0.21 0.00 1.12 0.00 0.00 29.99 30.67 1it1 n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1it1 n ASP 53 N -0.66 3.95 -4.57 0.41 5.75 -1.23 -2.76 116.55 117.44 1it1 n ASP 53 Ca 0.48 -3.54 -0.42 0.00 -0.01 0.00 0.00 54.79 51.30 1it1 n ASP 53 Cb 0.69 -0.82 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1it1 s ASN 54 N -1.26 6.35 0.00 -1.12 2.47 -1.17 -4.85 114.94 115.35 1it1 s ASN 54 Ca 0.57 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.82 1it1 s ASN 54 Cb 0.47 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 1it1 s ASN 54 CO 0.11 -1.59 1.95 0.23 -3.72 0.00 0.00 177.10 174.08 1it1 n MET 55 N 8.70 0.98 -0.00 0.43 2.81 -1.26 -3.42 117.12 125.36 1it1 n MET 55 Ca 0.07 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 1it1 n MET 55 Cb 0.49 -1.01 -0.05 0.00 -0.71 0.00 0.00 33.22 31.94 1it1 n MET 55 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1it1 n ASP 56 N 1.51 1.27 -1.58 7.83 -0.08 -1.26 -4.96 116.55 119.27 1it1 n ASP 56 Ca 0.00 -0.46 -0.07 0.00 -1.51 0.00 0.00 54.79 52.75 1it1 n ASP 56 Cb 0.49 1.12 -0.02 0.00 2.34 0.00 0.00 41.12 45.04 1it1 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1it1 n LYS 57 N -1.37 -1.57 0.00 -0.67 5.02 -1.23 -4.57 118.16 113.77 1it1 n LYS 57 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1it1 n LYS 57 Cb 0.15 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1it1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1it1 n LYS 58 N -1.83 2.82 -1.80 1.97 4.76 -1.26 -4.86 118.16 117.96 1it1 n LYS 58 Ca -0.07 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.99 1it1 n LYS 58 Cb 0.33 -0.76 -0.03 0.00 -1.84 0.00 0.00 35.03 32.73 1it1 n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1it1 s ASP 59 N -1.13 4.85 0.00 4.39 -1.08 -1.26 -4.77 116.67 117.67 1it1 s ASP 59 Ca 0.00 0.71 0.07 0.00 -0.52 0.00 0.00 52.55 52.82 1it1 s ASP 59 Cb 0.00 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.38 1it1 s ASP 59 CO 0.00 -2.63 1.19 0.29 0.52 0.00 0.00 175.17 174.54 1it1 n LYS 60 N 9.10 0.90 0.00 4.34 4.01 -1.26 -4.05 118.16 131.19 1it1 n LYS 60 Ca 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1it1 n LYS 60 Cb 0.53 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 1it1 n LYS 60 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1it1 n SER 61 N -0.63 0.00 -2.22 4.39 2.88 -1.26 -4.94 113.62 111.85 1it1 n SER 61 Ca 0.05 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.36 1it1 n SER 61 Cb 0.03 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.67 1it1 n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1it1 n ALA 62 N -3.00 5.59 -0.65 -1.46 0.00 -1.26 -4.17 120.51 115.57 1it1 n ALA 62 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1it1 n ALA 62 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1it1 n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1it1 n LYS 63 N -1.15 -0.29 -3.06 0.00 0.00 -1.26 -4.80 118.16 107.60 1it1 n LYS 63 Ca 0.60 -0.21 -0.39 0.00 0.00 0.00 0.00 58.31 58.31 1it1 n LYS 63 Cb 1.67 -0.68 -0.06 0.00 0.00 0.00 0.00 35.03 35.96 1it1 n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1it1 s GLY 64 N -0.02 2.82 -0.08 3.14 0.00 -1.26 -3.06 107.32 108.86 1it1 s GLY 64 Ca 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 1it1 s GLY 64 CO 0.00 0.73 1.00 -1.82 0.00 0.00 0.00 173.10 173.01 1it1 h TYR 65 N 4.22 -0.00 0.00 1.90 3.20 -1.53 -3.23 116.97 121.52 1it1 h TYR 65 Ca -0.48 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1it1 h TYR 65 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1it1 h TYR 65 CO 0.65 0.75 0.00 0.98 -1.64 0.00 0.00 178.16 178.90 1it1 n TYR 66 N -4.73 0.00 -0.01 -3.82 4.19 -1.26 -3.59 117.16 107.95 1it1 n TYR 66 Ca -0.09 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.12 1it1 n TYR 66 Cb 0.37 -0.34 -0.00 0.00 0.49 0.00 0.00 39.34 39.86 1it1 n TYR 66 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1it1 h HIS 67 N 0.00 -0.00 0.00 2.98 2.76 -1.80 -2.53 115.15 116.55 1it1 h HIS 67 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1it1 h HIS 67 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1it1 h HIS 67 CO 0.00 -0.00 0.27 0.00 -1.30 0.00 0.00 177.93 176.90 1it1 h ALA 68 N -1.86 1.21 0.08 5.26 0.00 -1.70 0.92 119.26 123.17 1it1 h ALA 68 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1it1 h ALA 68 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1it1 h ALA 68 CO 0.00 -0.21 -1.75 -1.33 0.00 0.00 0.00 179.25 175.96 1it1 n MET 69 N -2.36 0.69 0.02 0.00 2.81 -1.24 -3.25 117.12 113.80 1it1 n MET 69 Ca -0.01 0.37 0.11 0.00 -1.81 0.00 0.00 57.70 56.36 1it1 n MET 69 Cb 0.30 -1.72 -0.11 0.00 -0.71 0.00 0.00 33.22 30.98 1it1 n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1it1 n HIS 70 N -3.83 0.21 -2.83 2.03 -0.00 -0.73 0.12 115.22 110.20 1it1 n HIS 70 Ca -0.32 0.06 -0.42 0.00 -0.00 0.00 0.00 57.72 57.04 1it1 n HIS 70 Cb 0.92 -0.54 -0.04 0.00 -0.00 0.00 0.00 29.99 30.33 1it1 n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1it1 s ASP 71 N -4.50 6.90 -0.09 0.41 1.11 0.31 -4.56 116.67 116.25 1it1 s ASP 71 Ca -0.04 1.12 -0.19 0.00 0.18 0.00 0.00 52.55 53.61 1it1 s ASP 71 Cb 0.13 -2.46 -0.28 0.00 1.07 0.00 0.00 42.92 41.38 1it1 s ASP 71 CO 0.87 -0.57 0.67 0.07 1.18 0.00 0.00 175.17 177.39 1it1 h LYS 72 N 7.64 0.23 -3.59 8.23 2.10 -1.89 -3.37 116.57 125.91 1it1 h LYS 72 Ca -0.22 -0.39 -0.30 0.00 -2.00 0.00 0.00 60.65 57.74 1it1 h LYS 72 Cb 1.08 0.14 0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1it1 h LYS 72 CO 0.90 1.19 2.26 0.41 -2.00 0.00 0.00 179.45 182.21 1it1 n GLY 73 N 1.68 2.79 3.70 0.07 0.00 -1.26 -4.54 105.19 107.63 1it1 n GLY 73 Ca -0.20 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1it1 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1it1 s THR 74 N 3.79 3.18 0.31 2.61 -4.23 -1.26 -4.99 115.64 115.05 1it1 s THR 74 Ca 0.32 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1it1 s THR 74 Cb 0.08 -2.94 0.39 0.00 1.34 0.00 0.00 72.50 71.37 1it1 s THR 74 CO -0.02 -0.25 1.50 1.17 -0.54 0.00 0.00 174.62 176.47 1it1 n LYS 75 N -1.05 -0.07 -4.54 3.99 3.00 -1.26 -4.56 118.16 113.67 1it1 n LYS 75 Ca -0.04 1.40 -0.29 0.00 -0.00 0.00 0.00 58.31 59.38 1it1 n LYS 75 Cb 0.60 -2.29 -0.07 0.00 0.00 0.00 0.00 35.03 33.27 1it1 n LYS 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1it1 n PHE 76 N -5.36 0.57 -2.25 5.64 3.72 -1.26 -5.07 117.46 113.45 1it1 n PHE 76 Ca 0.26 -2.60 -0.43 0.00 -0.05 0.00 0.00 57.45 54.63 1it1 n PHE 76 Cb 0.85 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 39.22 1it1 n PHE 76 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1it1 s LYS 77 N -3.68 3.78 0.96 -1.08 -2.85 -1.26 -4.92 119.74 110.68 1it1 s LYS 77 Ca 0.12 1.39 -0.16 0.00 -1.00 0.00 0.00 55.97 56.33 1it1 s LYS 77 Cb 0.01 -3.99 0.19 0.00 -2.06 0.00 0.00 37.83 31.98 1it1 s LYS 77 CO 0.09 -1.31 1.29 -1.54 0.10 0.00 0.00 175.35 173.99 1it1 s SER 78 N 3.79 3.12 0.01 0.03 1.04 -1.26 -4.58 113.70 115.85 1it1 s SER 78 Ca 0.65 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 1it1 s SER 78 Cb -0.20 -0.45 -0.05 0.00 0.10 0.00 0.00 66.02 65.42 1it1 s SER 78 CO 0.28 -2.74 1.13 0.00 0.98 0.00 0.00 173.24 172.89 1it1 h VAL 80 N -0.29 0.77 -0.22 0.00 2.07 0.69 0.32 116.25 119.60 1it1 h VAL 80 Ca -0.03 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 1it1 h VAL 80 Cb 0.23 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1it1 h VAL 80 CO 0.04 0.20 -0.42 1.23 0.02 0.00 0.00 177.57 178.63 1it1 h GLY 81 N 1.08 0.75 2.00 2.17 0.00 -1.62 0.71 103.07 108.15 1it1 h GLY 81 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 1it1 h GLY 81 CO 0.03 0.78 -0.09 0.00 0.00 0.00 0.00 176.54 177.27 1it1 h HIS 83 N 0.00 -0.18 -0.64 0.00 3.86 -0.17 0.62 115.15 118.65 1it1 h HIS 83 Ca -0.00 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.39 1it1 h HIS 83 Cb 1.06 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.56 1it1 h HIS 83 CO 0.00 0.03 0.56 1.25 0.86 0.00 0.00 177.93 180.63 1it1 h LEU 84 N -1.02 0.00 0.00 2.43 6.46 -0.97 0.84 115.31 123.04 1it1 h LEU 84 Ca -0.02 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.56 1it1 h LEU 84 Cb 0.29 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1it1 h LEU 84 CO 0.03 0.00 -1.01 -0.33 -0.62 0.00 0.00 178.44 176.51 1it1 h GLU 85 N 0.00 0.00 0.00 1.25 5.08 -1.55 -3.11 114.58 116.25 1it1 h GLU 85 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1it1 h GLU 85 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1it1 h GLU 85 CO -0.00 0.92 0.13 1.15 -1.00 0.00 0.00 179.01 180.21 1it1 h THR 86 N -1.00 0.00 0.07 1.13 2.02 0.11 -0.30 112.91 114.95 1it1 h THR 86 Ca -0.27 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.58 1it1 h THR 86 Cb 1.19 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1it1 h THR 86 CO -0.16 0.00 -1.79 0.00 0.37 0.00 0.00 175.52 173.93 1it1 h ALA 87 N 1.70 0.54 -0.96 6.16 0.00 -0.97 -3.50 119.26 122.23 1it1 h ALA 87 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1it1 h ALA 87 Cb 0.27 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1it1 h ALA 87 CO 0.00 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1it1 n GLY 88 N 1.76 2.96 2.28 0.00 0.00 -0.12 -2.30 105.19 109.77 1it1 n GLY 88 Ca -0.23 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1it1 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n ALA 89 N 8.88 6.28 -3.89 4.61 0.00 -1.26 -4.69 120.51 130.44 1it1 n ALA 89 Ca 0.00 -2.53 -0.29 0.00 0.00 0.00 0.00 53.44 50.62 1it1 n ALA 89 Cb 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 1it1 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1it1 s ASP 90 N 0.85 4.90 0.56 0.00 -1.08 -0.97 -4.92 116.67 116.01 1it1 s ASP 90 Ca 0.58 -3.84 0.31 0.00 -0.52 0.00 0.00 52.55 49.08 1it1 s ASP 90 Cb 0.35 -1.66 1.07 0.00 -1.46 0.00 0.00 42.92 41.23 1it1 s ASP 90 CO -0.14 -0.09 1.30 0.00 0.52 0.00 0.00 175.17 176.76 1it1 n ALA 91 N 2.00 1.18 0.05 3.66 0.00 -1.26 0.32 120.51 126.46 1it1 n ALA 91 Ca 0.20 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 1it1 n ALA 91 Cb 0.35 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1it1 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1it1 h ALA 92 N 0.61 0.10 0.00 0.00 0.00 -1.95 -2.33 119.26 115.70 1it1 h ALA 92 Ca 0.58 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1it1 h ALA 92 Cb 3.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.86 1it1 h ALA 92 CO -0.01 0.69 -0.36 0.87 0.00 0.00 0.00 179.25 180.45 1it1 h LYS 93 N 0.37 0.00 0.00 0.00 1.57 0.48 -2.47 116.57 116.51 1it1 h LYS 93 Ca -0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1it1 h LYS 93 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 1it1 h LYS 93 CO 0.21 0.36 -0.43 0.87 -0.57 0.00 0.00 179.45 179.89 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 1.57 -0.56 0.11 116.57 120.84 1it1 h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1it1 h LYS 94 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1it1 h LYS 94 CO 0.05 0.43 -0.79 1.57 -0.57 0.00 0.00 179.45 180.13 1it1 h LYS 95 N 0.00 0.00 0.05 3.15 2.10 -1.26 0.14 116.57 120.75 1it1 h LYS 95 Ca -0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1it1 h LYS 95 Cb 1.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 1it1 h LYS 95 CO 0.06 0.00 -2.05 -0.85 -2.00 0.00 0.00 179.45 174.60 1it1 n GLU 96 N -2.75 0.66 -0.01 0.07 0.28 -0.95 -2.24 120.64 115.71 1it1 n GLU 96 Ca 0.01 0.30 -0.01 0.00 -0.16 0.00 0.00 57.16 57.30 1it1 n GLU 96 Cb 0.54 -1.63 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 1it1 n GLU 96 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1it1 h LEU 97 N -0.35 -0.04 -0.15 -1.84 3.38 -0.94 0.39 115.31 115.77 1it1 h LEU 97 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1it1 h LEU 97 Cb 1.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1it1 h LEU 97 CO -0.10 0.23 -0.35 0.35 0.09 0.00 0.00 178.44 178.66 1it1 n THR 98 N -3.55 0.00 -1.68 0.22 -2.24 -1.07 -4.75 114.28 101.21 1it1 n THR 98 Ca -0.01 -0.04 -0.49 0.00 -2.27 0.00 0.00 64.05 61.25 1it1 n THR 98 Cb 0.02 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1it1 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1it1 n GLY 99 N 1.44 1.27 0.05 3.38 0.00 0.01 -4.88 105.19 106.45 1it1 n GLY 99 Ca 0.08 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 1it1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 n LYS 101 N -4.29 4.43 -2.32 0.00 4.81 -1.26 -4.20 118.16 115.33 1it1 n LYS 101 Ca -0.02 -3.06 -0.02 0.00 -0.87 0.00 0.00 58.31 54.34 1it1 n LYS 101 Cb 0.06 -2.12 0.08 0.00 0.02 0.00 0.00 35.03 33.06 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1it1 n GLY 102 N 0.77 1.68 0.00 3.14 0.00 -1.26 -5.00 105.19 104.52 1it1 n GLY 102 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1it1 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1it1 n SER 103 N -1.05 0.00 -0.06 1.61 3.41 -0.95 -4.35 113.62 112.23 1it1 n SER 103 Ca -0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1it1 n SER 103 Cb 0.84 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.65 1it1 n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1it1 n LYS 104 N 0.00 0.84 0.15 4.33 4.76 0.13 -4.27 118.16 124.10 1it1 n LYS 104 Ca 0.00 -0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.40 1it1 n LYS 104 Cb 0.00 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 31.79 1it1 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1it1 n HIS 106 N -3.24 3.34 0.00 0.00 8.25 -1.26 -4.40 115.22 117.91 1it1 n HIS 106 Ca 0.02 -3.97 0.00 0.00 -0.26 0.00 0.00 57.72 53.51 1it1 n HIS 106 Cb 0.70 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1it1 n HIS 106 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41