#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 4.59 -0.88 0.00 0.04 -1.26 -4.98 135.00 132.51 1it1 s PRO 2 Ca 0.00 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1it1 s PRO 2 Cb 0.00 -3.18 0.23 0.00 0.04 0.00 0.00 34.50 31.59 1it1 s PRO 2 CO 0.00 0.14 0.83 0.15 0.04 0.00 0.00 177.00 178.16 1it1 s LYS 3 N -1.38 3.69 0.15 4.56 -0.14 -1.26 -5.03 119.74 120.33 1it1 s LYS 3 Ca 0.46 -2.65 -0.30 0.00 -1.36 0.00 0.00 55.97 52.12 1it1 s LYS 3 Cb -0.33 -4.42 -0.17 0.00 -1.68 0.00 0.00 37.83 31.23 1it1 s LYS 3 CO 0.42 -1.27 0.64 0.00 -0.76 0.00 0.00 175.35 174.38 1it1 n ALA 4 N 3.64 -3.03 -1.74 5.17 0.00 -1.26 -4.89 120.51 118.40 1it1 n ALA 4 Ca 0.16 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 1it1 n ALA 4 Cb 0.45 -1.61 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.73 3.17 0.53 0.00 0.04 -1.26 -4.98 135.00 131.77 1it1 s PRO 5 Ca 0.69 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 1it1 s PRO 5 Cb -0.99 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.44 1it1 s PRO 5 CO 0.55 -0.89 0.92 0.00 0.04 0.00 0.00 177.00 177.62 1it1 n ALA 6 N -2.97 0.00 -1.00 8.56 0.00 -1.26 -4.75 120.51 119.10 1it1 n ALA 6 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1it1 n ALA 6 Cb 0.54 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1it1 n ALA 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1it1 n ASP 7 N -0.13 -1.52 -0.67 0.00 8.00 -1.26 -4.01 116.55 116.95 1it1 n ASP 7 Ca 0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1it1 n ASP 7 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 1it1 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1it1 n GLY 8 N 0.00 0.99 3.68 0.44 0.00 -1.12 -4.86 105.19 104.32 1it1 n GLY 8 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.99 4.40 -0.37 0.99 0.20 0.06 -4.59 118.68 117.38 1it1 s LEU 9 Ca 0.00 2.69 -0.13 0.00 0.69 0.00 0.00 54.13 57.38 1it1 s LEU 9 Cb 0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1it1 s LEU 9 CO 0.00 -1.00 0.24 -0.54 -0.29 0.00 0.00 176.35 174.77 1it1 s LYS 10 N 3.13 3.19 -0.61 1.98 1.02 -1.26 0.38 119.74 127.57 1it1 s LYS 10 Ca 0.81 -0.85 -0.23 0.00 0.02 0.00 0.00 55.97 55.72 1it1 s LYS 10 Cb -0.44 -3.82 0.06 0.00 -0.52 0.00 0.00 37.83 33.11 1it1 s LYS 10 CO 0.37 -0.59 0.93 0.00 -0.92 0.00 0.00 175.35 175.14 1it1 s MET 11 N 1.67 3.17 -0.26 1.68 0.23 0.76 -4.83 119.30 121.71 1it1 s MET 11 Ca 0.05 -0.68 0.13 0.00 -1.03 0.00 0.00 55.69 54.16 1it1 s MET 11 Cb -0.18 -4.17 0.70 0.00 -1.53 0.00 0.00 34.83 29.65 1it1 s MET 11 CO 0.09 -1.67 1.67 -0.40 -2.03 0.00 0.00 175.02 172.69 1it1 n ASP 12 N 7.50 4.68 -0.27 -1.18 5.75 -1.26 -0.47 116.55 131.30 1it1 n ASP 12 Ca -0.03 -3.14 0.31 0.00 -0.01 0.00 0.00 54.79 51.93 1it1 n ASP 12 Cb 0.46 -0.67 0.71 0.00 -1.03 0.00 0.00 41.12 40.59 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 2.69 0.04 -5.50 0.11 1.79 -1.91 -3.42 116.57 110.38 1it1 h LYS 13 Ca 0.12 -0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.95 1it1 h LYS 13 Cb 1.97 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 32.50 1it1 h LYS 13 CO 0.52 0.03 -0.52 0.95 -1.08 0.00 0.00 179.45 179.35 1it1 s THR 14 N -5.02 1.61 0.61 -0.16 -4.23 -1.26 -4.94 115.64 102.25 1it1 s THR 14 Ca -0.05 -1.91 0.38 0.00 -1.18 0.00 0.00 61.69 58.92 1it1 s THR 14 Cb 0.23 -2.52 0.40 0.00 1.34 0.00 0.00 72.50 71.95 1it1 s THR 14 CO 0.79 0.00 2.31 0.11 -0.54 0.00 0.00 174.62 177.29 1it1 h LYS 15 N 1.43 0.00 -3.50 3.99 1.57 -1.97 -3.24 116.57 114.85 1it1 h LYS 15 Ca -0.43 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.59 1it1 h LYS 15 Cb 1.28 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.28 1it1 h LYS 15 CO 0.74 0.01 0.17 -0.65 -0.57 0.00 0.00 179.45 179.15 1it1 s GLN 16 N -4.32 3.72 0.21 3.15 -1.52 -1.26 -5.04 119.66 114.61 1it1 s GLN 16 Ca -0.05 -3.12 -0.30 0.00 -1.95 0.00 0.00 55.36 49.94 1it1 s GLN 16 Cb 0.14 -4.28 -0.09 0.00 -0.22 0.00 0.00 33.01 28.55 1it1 s GLN 16 CO 0.47 -1.25 1.41 -1.25 -0.25 0.00 0.00 175.29 174.42 1it1 s PRO 17 N -1.08 4.30 0.21 2.91 0.04 -1.23 -4.89 135.00 135.27 1it1 s PRO 17 Ca 0.27 2.21 0.09 0.00 0.04 0.00 0.00 61.00 63.62 1it1 s PRO 17 Cb -0.10 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1it1 s PRO 17 CO -0.09 -0.39 -0.08 0.08 0.04 0.00 0.00 177.00 176.55 1it1 s VAL 18 N 0.24 3.18 -0.25 -0.36 1.01 0.38 -4.84 120.40 119.76 1it1 s VAL 18 Ca 0.60 -1.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 1it1 s VAL 18 Cb -0.40 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1it1 s VAL 18 CO 0.39 -0.21 0.04 -0.69 0.00 0.00 0.00 175.10 174.63 1it1 s VAL 19 N -1.95 3.98 -0.30 2.92 1.01 -1.25 0.27 120.40 125.08 1it1 s VAL 19 Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1it1 s VAL 19 Cb -0.08 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1it1 s VAL 19 CO 0.16 0.30 0.17 0.12 0.00 0.00 0.00 175.10 175.85 1it1 s PHE 20 N 1.55 3.19 -0.62 5.22 5.36 1.24 -4.79 117.98 129.13 1it1 s PHE 20 Ca 0.05 -0.21 -0.17 0.00 -0.96 0.00 0.00 56.93 55.64 1it1 s PHE 20 Cb -0.15 -2.37 0.14 0.00 -0.34 0.00 0.00 43.02 40.29 1it1 s PHE 20 CO 0.02 -0.31 0.65 -0.80 -1.46 0.00 0.00 175.22 173.31 1it1 s ASN 21 N 1.69 6.30 0.43 6.13 0.01 -1.26 -0.76 114.94 127.49 1it1 s ASN 21 Ca 0.06 -1.83 0.23 0.00 -0.71 0.00 0.00 52.86 50.61 1it1 s ASN 21 Cb -0.16 -2.25 1.21 0.00 0.41 0.00 0.00 41.25 40.45 1it1 s ASN 21 CO 0.09 -0.91 1.78 0.45 -1.51 0.00 0.00 177.10 177.00 1it1 h HIS 22 N 8.81 0.50 -1.01 2.20 3.86 -1.85 0.36 115.15 128.02 1it1 h HIS 22 Ca -0.21 0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.26 1it1 h HIS 22 Cb 1.08 -0.14 -0.10 0.00 1.06 0.00 0.00 27.41 29.31 1it1 h HIS 22 CO 0.84 0.04 0.64 1.03 0.86 0.00 0.00 177.93 181.34 1it1 h SER 23 N 0.30 0.54 0.12 2.45 0.87 -1.91 2.00 113.55 117.92 1it1 h SER 23 Ca 0.58 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 1it1 h SER 23 Cb 1.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1it1 h SER 23 CO -0.23 0.13 -0.01 0.41 -0.53 0.00 0.00 176.83 176.60 1it1 n THR 24 N -4.68 0.00 -0.01 2.23 -1.04 0.13 -3.46 114.28 107.44 1it1 n THR 24 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1it1 n THR 24 Cb 0.79 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 -0.95 0.00 0.04 -1.42 8.25 0.58 -4.67 115.22 117.04 1it1 n HIS 25 Ca 0.21 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.89 1it1 n HIS 25 Cb 0.16 0.00 0.64 0.00 1.12 0.00 0.00 29.99 31.92 1it1 n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1it1 h LYS 26 N 0.00 0.00 -0.00 -0.41 1.57 0.15 2.52 116.57 120.40 1it1 h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1it1 h LYS 26 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1it1 h LYS 26 CO 0.00 0.00 -0.24 0.00 -0.57 0.00 0.00 179.45 178.64 1it1 n ALA 27 N -2.24 3.00 -1.94 3.86 0.00 -1.26 -4.87 120.51 117.06 1it1 n ALA 27 Ca 0.11 -0.29 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 1it1 n ALA 27 Cb 0.86 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.74 2.07 -0.54 0.00 1.01 0.85 -4.99 120.40 116.06 1it1 s VAL 28 Ca 0.20 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1it1 s VAL 28 Cb 0.19 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1it1 s VAL 28 CO 0.57 0.00 0.82 -0.54 0.00 0.00 0.00 175.10 175.95 1it1 s LYS 29 N -5.60 3.24 0.62 2.72 3.01 -1.26 -4.86 119.74 117.61 1it1 s LYS 29 Ca 0.69 -0.54 0.23 0.00 -1.01 0.00 0.00 55.97 55.34 1it1 s LYS 29 Cb -0.06 -4.08 1.04 0.00 -1.01 0.00 0.00 37.83 33.72 1it1 s LYS 29 CO 0.49 -1.41 1.53 0.00 0.51 0.00 0.00 175.35 176.48 1it1 n GLY 31 N -1.53 -1.42 0.11 0.00 0.00 -1.26 -1.60 105.19 99.49 1it1 n GLY 31 Ca 0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.42 0.00 1.61 1.82 0.53 -0.60 116.42 120.20 1it1 h ASP 32 Ca 0.00 -0.43 -0.12 0.00 -0.39 0.00 0.00 57.03 56.09 1it1 h ASP 32 Cb 0.71 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 1it1 h ASP 32 CO 0.00 1.31 -0.92 0.00 -1.61 0.00 0.00 179.24 178.02 1it1 n HIS 34 N -4.52 1.66 -0.63 0.00 8.25 -0.62 -4.99 115.22 114.37 1it1 n HIS 34 Ca -0.20 -1.75 -0.23 0.00 -0.26 0.00 0.00 57.72 55.27 1it1 n HIS 34 Cb 0.48 -0.86 0.02 0.00 1.12 0.00 0.00 29.99 30.76 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 0.02 -2.69 -2.02 4.41 1.44 -0.23 -2.59 115.22 113.56 1it1 n HIS 35 Ca 0.32 0.09 -0.42 0.00 -2.01 0.00 0.00 57.72 55.69 1it1 n HIS 35 Cb 0.78 -0.89 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 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 -1.26 4.18 -0.15 -1.40 0.04 -1.26 -2.99 135.00 132.16 1it1 s PRO 36 Ca 0.25 2.17 0.17 0.00 0.04 0.00 0.00 61.00 63.63 1it1 s PRO 36 Cb -0.07 -3.96 0.77 0.00 0.04 0.00 0.00 34.50 31.27 1it1 s PRO 36 CO 0.50 -0.83 1.68 0.28 0.04 0.00 0.00 177.00 178.66 1it1 n VAL 37 N 5.44 2.12 0.00 -0.36 0.31 -1.11 -4.85 118.33 119.87 1it1 n VAL 37 Ca 0.17 -1.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.24 1it1 n VAL 37 Cb 0.43 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 1it1 n VAL 37 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1it1 n ASN 38 N 1.03 0.00 0.00 4.52 4.05 -1.26 -4.93 115.26 118.67 1it1 n ASN 38 Ca 0.27 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1it1 n ASN 38 Cb 0.99 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.00 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 0.00 -0.30 3.62 8.20 0.00 -1.26 -5.05 105.19 110.40 1it1 n GLY 39 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1it1 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it1 s LYS 40 N -0.12 0.86 -0.04 1.61 -2.85 -1.26 -5.08 119.74 112.86 1it1 s LYS 40 Ca 0.00 0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 55.58 1it1 s LYS 40 Cb 0.00 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1it1 s LYS 40 CO 0.00 -0.13 1.97 -1.21 0.10 0.00 0.00 175.35 176.08 1it1 s GLU 41 N 0.20 3.92 -0.35 1.78 2.02 -1.26 -2.77 118.70 122.24 1it1 s GLU 41 Ca -0.01 2.39 -0.28 0.00 0.02 0.00 0.00 54.97 57.09 1it1 s GLU 41 Cb -0.04 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 1it1 s GLU 41 CO 0.02 -1.20 2.04 -0.51 0.02 0.00 0.00 175.26 175.62 1it1 s ASP 42 N 5.10 5.46 -1.35 -0.19 1.11 -1.07 -4.85 116.67 120.89 1it1 s ASP 42 Ca 0.88 1.36 -0.06 0.00 0.18 0.00 0.00 52.55 54.91 1it1 s ASP 42 Cb -0.39 -2.52 0.11 0.00 1.07 0.00 0.00 42.92 41.19 1it1 s ASP 42 CO 0.38 -2.04 2.37 -1.22 1.18 0.00 0.00 175.17 175.84 1it1 n TYR 43 N 11.85 2.63 -4.32 4.23 4.01 -1.26 -4.65 117.16 129.66 1it1 n TYR 43 Ca 0.27 -2.85 -0.18 0.00 -0.16 0.00 0.00 57.90 54.98 1it1 n TYR 43 Cb 0.48 -1.92 -0.09 0.00 -0.31 0.00 0.00 39.34 37.50 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 -0.58 1.57 0.07 -0.72 -2.07 -1.26 -5.06 119.66 111.61 1it1 s GLN 44 Ca 0.54 -1.89 -0.37 0.00 -1.82 0.00 0.00 55.36 51.82 1it1 s GLN 44 Cb 0.17 -0.02 -0.18 0.00 -1.09 0.00 0.00 33.01 31.89 1it1 s GLN 44 CO -0.08 -0.46 1.03 0.36 -1.32 0.00 0.00 175.29 174.82 1it1 n LYS 45 N -0.55 0.32 -0.32 9.60 2.85 -1.26 -4.77 118.16 124.03 1it1 n LYS 45 Ca 0.02 0.11 0.16 0.00 -1.05 0.00 0.00 58.31 57.55 1it1 n LYS 45 Cb 0.65 -1.55 0.39 0.00 -0.65 0.00 0.00 35.03 33.87 1it1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1it1 n ALA 47 N -2.40 6.10 -0.82 0.00 0.00 -1.26 -0.42 120.51 121.71 1it1 n ALA 47 Ca 0.22 -4.19 -0.03 0.00 0.00 0.00 0.00 53.44 49.45 1it1 n ALA 47 Cb 0.64 -1.57 0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.52 0.00 0.47 0.00 -1.04 -0.63 -4.25 114.28 108.30 1it1 n THR 48 Ca 0.50 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.56 1it1 n THR 48 Cb 0.36 -0.15 0.27 0.00 -1.82 0.00 0.00 70.33 68.98 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 -2.35 1.61 -1.86 2.41 0.00 -1.26 -2.73 120.51 116.34 1it1 n ALA 49 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1it1 n ALA 49 Cb 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.29 0.17 0.00 0.00 0.00 -1.26 -4.97 105.19 98.84 1it1 n GLY 50 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.46 -0.97 0.00 8.25 0.44 -4.46 115.22 120.95 1it1 n HIS 52 Ca 0.00 -2.97 0.08 0.00 -0.26 0.00 0.00 57.72 54.56 1it1 n HIS 52 Cb 0.00 -2.43 0.33 0.00 1.12 0.00 0.00 29.99 29.01 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 3.97 4.71 -4.58 0.41 5.68 -1.20 -3.62 116.55 121.93 1it1 n ASP 53 Ca 0.73 -3.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.60 1it1 n ASP 53 Cb 0.24 -0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 39.58 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1it1 s ASN 54 N -1.43 6.39 0.00 -1.12 2.47 -1.15 -4.85 114.94 115.25 1it1 s ASN 54 Ca 0.48 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1it1 s ASN 54 Cb 0.38 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1it1 s ASN 54 CO 0.12 -1.54 0.69 0.23 -3.72 0.00 0.00 177.10 172.88 1it1 n MET 55 N 8.58 0.99 0.19 0.43 2.81 -1.26 -3.68 117.12 125.18 1it1 n MET 55 Ca 0.08 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 1it1 n MET 55 Cb 0.49 -1.30 0.27 0.00 -0.71 0.00 0.00 33.22 31.97 1it1 n MET 55 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1it1 h ASP 56 N 0.01 0.00 -0.59 7.83 3.58 -1.99 -3.46 116.42 121.81 1it1 h ASP 56 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1it1 h ASP 56 Cb 0.69 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.65 1it1 h ASP 56 CO 0.00 0.00 -0.20 0.29 -2.88 0.00 0.00 179.24 176.45 1it1 n LYS 57 N -2.83 -1.69 -0.23 0.28 5.02 -1.24 -4.60 118.16 112.87 1it1 n LYS 57 Ca 0.04 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1it1 n LYS 57 Cb 0.48 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 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 -0.83 0.00 0.26 1.97 5.02 -1.26 -4.83 118.16 118.48 1it1 n LYS 58 Ca -0.11 -0.27 0.09 0.00 -2.02 0.00 0.00 58.31 56.00 1it1 n LYS 58 Cb 0.56 -0.19 0.66 0.00 -0.02 0.00 0.00 35.03 36.04 1it1 n LYS 58 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1it1 h ASP 59 N 0.00 0.00 -3.20 4.39 3.58 -1.90 -3.45 116.42 115.84 1it1 h ASP 59 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1it1 h ASP 59 Cb 1.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 1it1 h ASP 59 CO 0.00 0.06 -0.09 0.29 -2.88 0.00 0.00 179.24 176.62 1it1 n LYS 60 N -4.29 -1.91 -2.63 0.28 4.76 -1.26 -4.86 118.16 108.25 1it1 n LYS 60 Ca -0.03 0.21 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1it1 n LYS 60 Cb 0.14 -4.51 -0.02 0.00 -1.84 0.00 0.00 35.03 28.81 1it1 n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1it1 n SER 61 N -0.51 2.22 -0.19 4.39 2.88 -1.26 -5.00 113.62 116.15 1it1 n SER 61 Ca -0.04 -1.60 0.05 0.00 -1.33 0.00 0.00 58.87 55.95 1it1 n SER 61 Cb 0.33 0.08 0.26 0.00 -0.75 0.00 0.00 64.21 64.12 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 -2.58 2.53 -0.09 -1.46 0.00 -1.26 -3.27 120.51 114.39 1it1 n ALA 62 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1it1 n ALA 62 Cb 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.29 0.00 -3.47 0.00 4.81 -1.26 -4.73 118.16 113.21 1it1 n LYS 63 Ca 0.09 -0.39 -0.37 0.00 -0.87 0.00 0.00 58.31 56.76 1it1 n LYS 63 Cb 0.12 -0.89 -0.07 0.00 0.02 0.00 0.00 35.03 34.21 1it1 n LYS 63 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1it1 s GLY 64 N -0.11 2.18 0.06 3.14 0.00 -1.20 -2.96 107.32 108.43 1it1 s GLY 64 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 44.72 43.92 1it1 s GLY 64 CO 0.00 0.58 1.50 -1.82 0.00 0.00 0.00 173.10 173.36 1it1 h TYR 65 N 6.93 -1.18 -0.37 1.90 3.20 -1.63 -3.10 116.97 122.72 1it1 h TYR 65 Ca -0.39 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.50 1it1 h TYR 65 Cb 1.17 0.42 -0.05 0.00 1.54 0.00 0.00 36.73 39.81 1it1 h TYR 65 CO 0.63 -0.66 -0.25 -0.92 -1.64 0.00 0.00 178.16 175.32 1it1 h TYR 66 N -1.08 -0.78 0.00 -3.82 5.03 -1.90 -0.38 116.97 114.04 1it1 h TYR 66 Ca -0.10 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1it1 h TYR 66 Cb 0.87 0.39 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1it1 h TYR 66 CO -0.09 -0.16 0.00 1.58 -1.32 0.00 0.00 178.16 178.17 1it1 n HIS 67 N -3.92 0.00 0.05 -3.82 -0.00 -1.21 0.14 115.22 106.46 1it1 n HIS 67 Ca 0.00 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.38 1it1 n HIS 67 Cb 0.12 0.00 0.52 0.00 -0.12 0.00 0.00 29.99 30.51 1it1 n HIS 67 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1it1 h ALA 68 N -2.03 2.29 0.03 1.57 0.00 -1.46 1.16 119.26 120.83 1it1 h ALA 68 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1it1 h ALA 68 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1it1 h ALA 68 CO 0.00 -1.07 -1.71 0.52 0.00 0.00 0.00 179.25 176.99 1it1 h MET 69 N 0.00 0.07 0.00 0.00 2.07 0.15 -3.00 114.93 114.23 1it1 h MET 69 Ca 0.24 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1it1 h MET 69 Cb 1.85 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 31.62 1it1 h MET 69 CO -0.00 0.70 -0.39 0.72 1.07 0.00 0.00 176.91 179.01 1it1 n HIS 70 N -3.18 0.00 -2.54 -0.22 -0.00 0.36 -0.13 115.22 109.52 1it1 n HIS 70 Ca -0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.25 1it1 n HIS 70 Cb 1.04 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.04 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 -1.78 6.24 -0.05 0.41 1.11 0.37 -4.57 116.67 118.40 1it1 s ASP 71 Ca 0.03 0.98 -0.01 0.00 0.18 0.00 0.00 52.55 53.73 1it1 s ASP 71 Cb 0.06 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 1it1 s ASP 71 CO 0.34 -0.63 -0.06 2.29 1.18 0.00 0.00 175.17 178.30 1it1 n LYS 72 N -2.33 0.12 -1.06 8.23 2.85 -1.26 -3.02 118.16 121.68 1it1 n LYS 72 Ca 0.01 0.04 -0.32 0.00 -1.05 0.00 0.00 58.31 57.00 1it1 n LYS 72 Cb 0.55 -0.88 -0.02 0.00 -0.65 0.00 0.00 35.03 34.03 1it1 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1it1 n GLY 73 N 2.95 3.76 3.81 2.58 0.00 -1.26 -4.59 105.19 112.43 1it1 n GLY 73 Ca -0.09 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 2.69 4.14 0.47 2.61 -4.23 -1.26 -4.96 115.64 115.10 1it1 s THR 74 Ca 0.57 -1.47 0.39 0.00 -1.18 0.00 0.00 61.69 60.00 1it1 s THR 74 Cb 0.15 -3.29 0.58 0.00 1.34 0.00 0.00 72.50 71.28 1it1 s THR 74 CO -0.05 -0.32 1.50 1.17 -0.54 0.00 0.00 174.62 176.38 1it1 n LYS 75 N -1.18 -0.02 -4.26 3.99 3.00 -1.26 -4.48 118.16 113.95 1it1 n LYS 75 Ca -0.07 1.13 -0.16 0.00 -0.00 0.00 0.00 58.31 59.22 1it1 n LYS 75 Cb 0.58 -2.39 -0.09 0.00 0.00 0.00 0.00 35.03 33.14 1it1 n LYS 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1it1 s PHE 76 N -5.00 1.46 -0.20 5.64 0.08 -1.26 -5.08 117.98 113.61 1it1 s PHE 76 Ca -0.06 -1.46 -0.29 0.00 0.12 0.00 0.00 56.93 55.24 1it1 s PHE 76 Cb 0.28 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1it1 s PHE 76 CO 0.82 -0.67 1.64 -1.59 -0.10 0.00 0.00 175.22 175.32 1it1 s LYS 77 N -3.86 3.81 0.96 0.44 -2.85 -1.26 -4.91 119.74 112.06 1it1 s LYS 77 Ca 0.39 1.73 -0.16 0.00 -1.00 0.00 0.00 55.97 56.92 1it1 s LYS 77 Cb 0.05 -4.04 0.22 0.00 -2.06 0.00 0.00 37.83 32.00 1it1 s LYS 77 CO 0.18 -1.28 1.27 -1.13 0.10 0.00 0.00 175.35 174.48 1it1 n SER 78 N 8.44 -0.06 0.09 0.03 3.41 -1.26 -4.63 113.62 119.64 1it1 n SER 78 Ca 0.19 -1.44 -0.04 0.00 -0.26 0.00 0.00 58.87 57.32 1it1 n SER 78 Cb 0.45 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 1it1 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1it1 h VAL 80 N -0.25 1.00 -0.36 0.00 2.07 -0.79 -0.56 116.25 117.36 1it1 h VAL 80 Ca -0.02 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1it1 h VAL 80 Cb 0.18 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1it1 h VAL 80 CO 0.04 0.32 -0.09 1.23 0.02 0.00 0.00 177.57 179.09 1it1 h GLY 81 N 1.40 0.74 2.00 2.17 0.00 -1.46 0.15 103.07 108.07 1it1 h GLY 81 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1it1 h GLY 81 CO 0.04 0.56 -0.23 0.00 0.00 0.00 0.00 176.54 176.92 1it1 h HIS 83 N 0.00 -0.37 -0.80 0.00 3.86 -0.63 1.22 115.15 118.43 1it1 h HIS 83 Ca -0.00 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.43 1it1 h HIS 83 Cb 0.96 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1it1 h HIS 83 CO 0.00 -0.23 0.72 1.25 0.86 0.00 0.00 177.93 180.53 1it1 h LEU 84 N -1.08 0.00 0.01 2.43 6.46 -0.79 0.12 115.31 122.45 1it1 h LEU 84 Ca -0.04 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.44 1it1 h LEU 84 Cb 0.30 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1it1 h LEU 84 CO 0.07 0.00 -1.50 -0.62 -0.62 0.00 0.00 178.44 175.76 1it1 n GLU 85 N -3.84 0.58 0.29 1.25 1.02 -1.18 -3.09 120.64 115.68 1it1 n GLU 85 Ca 0.17 0.51 0.16 0.00 -0.02 0.00 0.00 57.16 57.98 1it1 n GLU 85 Cb 1.00 -1.70 0.87 0.00 -0.02 0.00 0.00 31.44 31.58 1it1 n GLU 85 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1it1 h THR 86 N -0.95 0.00 0.05 2.62 2.02 0.26 0.08 112.91 116.99 1it1 h THR 86 Ca -0.41 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.44 1it1 h THR 86 Cb 1.39 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1it1 h THR 86 CO -0.23 0.00 -1.89 0.00 0.37 0.00 0.00 175.52 173.77 1it1 n ALA 87 N -1.90 1.24 -0.95 6.16 0.00 0.31 -5.02 120.51 120.35 1it1 n ALA 87 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1it1 n ALA 87 Cb 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1it1 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1it1 n GLY 88 N 1.77 3.16 2.38 0.00 0.00 0.01 -2.24 105.19 110.27 1it1 n GLY 88 Ca -0.25 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 9.87 6.25 -3.88 4.61 0.00 -1.26 -4.72 120.51 131.38 1it1 n ALA 89 Ca 0.00 -2.79 -0.29 0.00 0.00 0.00 0.00 53.44 50.36 1it1 n ALA 89 Cb 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.30 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 0.39 4.88 0.54 0.00 -1.08 -0.95 -4.92 116.67 115.53 1it1 s ASP 90 Ca 0.55 -3.77 0.35 0.00 -0.52 0.00 0.00 52.55 49.16 1it1 s ASP 90 Cb 0.36 -1.66 1.21 0.00 -1.46 0.00 0.00 42.92 41.37 1it1 s ASP 90 CO -0.18 -0.11 1.32 0.00 0.52 0.00 0.00 175.17 176.73 1it1 n ALA 91 N 2.10 1.33 0.01 3.66 0.00 -1.26 0.31 120.51 126.65 1it1 n ALA 91 Ca 0.18 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.90 1it1 n ALA 91 Cb 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 0.69 0.15 0.00 0.00 0.00 -1.95 -1.87 119.26 116.27 1it1 h ALA 92 Ca 0.66 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1it1 h ALA 92 Cb 3.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.92 1it1 h ALA 92 CO -0.01 0.55 -0.38 0.87 0.00 0.00 0.00 179.25 180.28 1it1 h LYS 93 N 0.24 0.00 0.00 0.00 1.57 0.44 -2.40 116.57 116.42 1it1 h LYS 93 Ca -0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1it1 h LYS 93 Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 1it1 h LYS 93 CO 0.16 0.38 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.78 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 3.64 -0.26 0.94 116.57 124.04 1it1 h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1it1 h LYS 94 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1it1 h LYS 94 CO 0.05 0.43 -0.77 1.57 -2.27 0.00 0.00 179.45 178.46 1it1 h LYS 95 N 0.00 0.00 0.04 1.90 5.09 -1.18 -0.72 116.57 121.70 1it1 h LYS 95 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.37 1it1 h LYS 95 Cb 1.21 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.50 1it1 h LYS 95 CO 0.06 0.00 -2.10 -0.85 -2.09 0.00 0.00 179.45 174.47 1it1 n GLU 96 N -2.65 0.66 -0.01 0.07 0.28 -0.92 -2.39 120.64 115.68 1it1 n GLU 96 Ca 0.01 0.29 -0.01 0.00 -0.16 0.00 0.00 57.16 57.29 1it1 n GLU 96 Cb 0.53 -1.62 -0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 -0.37 -0.06 -0.43 -1.84 3.38 -0.97 0.57 115.31 115.60 1it1 h LEU 97 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1it1 h LEU 97 Cb 1.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1it1 h LEU 97 CO -0.12 0.30 -0.29 0.35 0.09 0.00 0.00 178.44 178.77 1it1 n THR 98 N -4.08 0.00 -1.68 0.22 -2.24 -1.06 -4.74 114.28 100.70 1it1 n THR 98 Ca -0.01 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 1it1 n THR 98 Cb 0.03 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.36 1.64 0.05 3.38 0.00 -0.30 -4.89 105.19 106.43 1it1 n GLY 99 Ca 0.11 0.79 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 -4.32 4.61 -2.20 0.00 5.02 -1.26 -4.20 118.16 115.81 1it1 n LYS 101 Ca -0.01 -3.11 -0.03 0.00 -2.02 0.00 0.00 58.31 53.14 1it1 n LYS 101 Cb 0.04 -2.18 0.07 0.00 -0.02 0.00 0.00 35.03 32.94 1it1 n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1it1 n GLY 102 N 0.67 1.59 0.00 0.72 0.00 -1.26 -5.02 105.19 101.89 1it1 n GLY 102 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.02 0.00 -0.05 1.61 3.41 -1.00 -4.41 113.62 112.16 1it1 n SER 103 Ca -0.18 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1it1 n SER 103 Cb 0.83 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.78 0.16 4.33 4.76 0.19 -4.32 118.16 124.06 1it1 n LYS 104 Ca 0.00 -0.10 0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1it1 n LYS 104 Cb 0.00 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 31.80 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 -3.22 2.76 1.18 0.00 8.25 -1.26 -4.43 115.22 118.49 1it1 n HIS 106 Ca 0.02 -4.00 0.09 0.00 -0.26 0.00 0.00 57.72 53.57 1it1 n HIS 106 Cb 0.68 -0.50 0.56 0.00 1.12 0.00 0.00 29.99 31.84 1it1 n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43