#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 4.46 -0.92 0.00 0.04 -1.26 -4.98 135.00 132.34 1it1 s PRO 2 Ca 0.00 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1it1 s PRO 2 Cb 0.00 -3.29 0.22 0.00 0.04 0.00 0.00 34.50 31.47 1it1 s PRO 2 CO 0.00 -0.18 0.93 0.15 0.04 0.00 0.00 177.00 177.93 1it1 s LYS 3 N 0.44 3.76 0.23 4.56 -0.14 -1.26 -5.02 119.74 122.31 1it1 s LYS 3 Ca 0.56 -2.53 -0.27 0.00 -1.36 0.00 0.00 55.97 52.37 1it1 s LYS 3 Cb -0.31 -4.56 -0.17 0.00 -1.68 0.00 0.00 37.83 31.11 1it1 s LYS 3 CO 0.33 -1.38 0.46 0.00 -0.76 0.00 0.00 175.35 174.00 1it1 n ALA 4 N 4.16 -2.89 -1.83 5.17 0.00 -1.26 -4.90 120.51 118.96 1it1 n ALA 4 Ca 0.19 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 1it1 n ALA 4 Cb 0.45 -1.59 0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.00 3.52 0.61 0.00 0.04 -1.26 -5.00 135.00 131.91 1it1 s PRO 5 Ca 0.63 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 1it1 s PRO 5 Cb -0.89 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1it1 s PRO 5 CO 0.57 -0.63 1.12 0.00 0.04 0.00 0.00 177.00 178.09 1it1 n ALA 6 N -2.79 0.65 -0.66 8.56 0.00 -1.26 -4.74 120.51 120.27 1it1 n ALA 6 Ca 0.06 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1it1 n ALA 6 Cb 0.54 -2.21 0.18 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.25 2.54 0.00 0.00 1.01 -1.26 -4.05 116.67 113.65 1it1 s ASP 7 Ca 0.78 2.07 0.00 0.00 0.71 0.00 0.00 52.55 56.11 1it1 s ASP 7 Cb -0.41 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.00 1it1 s ASP 7 CO 0.45 -3.32 0.00 0.61 0.21 0.00 0.00 175.17 173.11 1it1 n GLY 8 N 0.33 1.01 3.71 0.21 0.00 -1.09 -4.91 105.19 104.45 1it1 n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1it1 n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1it1 n LEU 9 N 0.00 4.00 -4.48 0.99 0.00 -0.31 -4.62 117.00 112.58 1it1 n LEU 9 Ca 0.00 1.04 -0.40 0.00 0.00 0.00 0.00 56.01 56.65 1it1 n LEU 9 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 43.42 41.75 1it1 n LEU 9 CO 0.00 0.18 -0.14 -0.54 0.00 0.00 0.00 177.39 176.89 1it1 s LYS 10 N 1.63 3.33 -0.72 1.96 1.02 -1.26 0.34 119.74 126.04 1it1 s LYS 10 Ca 0.77 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 1it1 s LYS 10 Cb -0.50 -3.76 0.08 0.00 -0.52 0.00 0.00 37.83 33.13 1it1 s LYS 10 CO 0.34 -0.50 1.00 -1.64 -0.92 0.00 0.00 175.35 173.63 1it1 s MET 11 N 1.68 3.22 -0.14 1.68 -1.94 0.76 -4.82 119.30 119.74 1it1 s MET 11 Ca 0.05 -1.06 0.15 0.00 -1.71 0.00 0.00 55.69 53.13 1it1 s MET 11 Cb -0.18 -4.40 0.51 0.00 2.01 0.00 0.00 34.83 32.78 1it1 s MET 11 CO 0.09 -1.81 1.42 -0.40 -0.01 0.00 0.00 175.02 174.32 1it1 n ASP 12 N 7.43 3.87 -0.22 3.03 5.75 -1.26 0.53 116.55 135.67 1it1 n ASP 12 Ca 0.03 -2.74 0.31 0.00 -0.01 0.00 0.00 54.79 52.37 1it1 n ASP 12 Cb 0.46 -0.49 0.73 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 2.17 0.00 -5.59 0.11 1.79 -1.91 -3.42 116.57 109.72 1it1 h LYS 13 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1it1 h LYS 13 Cb 1.33 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.88 1it1 h LYS 13 CO 0.19 0.00 -0.46 0.95 -1.08 0.00 0.00 179.45 179.05 1it1 s THR 14 N -4.97 1.61 0.56 -0.16 -4.23 -1.26 -4.92 115.64 102.26 1it1 s THR 14 Ca -0.05 -1.79 0.32 0.00 -1.18 0.00 0.00 61.69 58.98 1it1 s THR 14 Cb 0.22 -2.40 0.36 0.00 1.34 0.00 0.00 72.50 72.01 1it1 s THR 14 CO 0.78 0.00 2.23 0.11 -0.54 0.00 0.00 174.62 177.21 1it1 h LYS 15 N 1.23 0.00 -3.54 3.99 6.56 -1.97 -3.26 116.57 119.59 1it1 h LYS 15 Ca -0.42 0.00 -0.77 0.00 -1.06 0.00 0.00 60.65 58.40 1it1 h LYS 15 Cb 1.29 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.65 1it1 h LYS 15 CO 0.69 0.03 0.23 -0.65 -2.06 0.00 0.00 179.45 177.69 1it1 s GLN 16 N -4.44 3.82 0.16 3.15 -0.21 -1.26 -5.03 119.66 115.84 1it1 s GLN 16 Ca -0.04 -3.11 -0.31 0.00 0.02 0.00 0.00 55.36 51.92 1it1 s GLN 16 Cb 0.14 -4.35 -0.09 0.00 1.00 0.00 0.00 33.01 29.71 1it1 s GLN 16 CO 0.53 -1.25 1.44 -1.25 -2.12 0.00 0.00 175.29 172.64 1it1 s PRO 17 N -1.05 4.29 -0.03 2.91 0.04 -1.23 -4.88 135.00 135.05 1it1 s PRO 17 Ca 0.28 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1it1 s PRO 17 Cb -0.10 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1it1 s PRO 17 CO -0.09 -0.46 -0.25 0.08 0.04 0.00 0.00 177.00 176.32 1it1 s VAL 18 N 0.81 1.98 -0.13 -0.36 1.01 0.19 -4.77 120.40 119.12 1it1 s VAL 18 Ca 0.64 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1it1 s VAL 18 Cb -0.40 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1it1 s VAL 18 CO 0.34 0.56 0.52 -0.69 0.00 0.00 0.00 175.10 175.83 1it1 s VAL 19 N -0.46 5.15 -0.24 2.92 1.01 -1.25 0.27 120.40 127.79 1it1 s VAL 19 Ca 0.06 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 1it1 s VAL 19 Cb -0.11 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1it1 s VAL 19 CO 0.00 0.28 0.05 0.12 0.00 0.00 0.00 175.10 175.56 1it1 s PHE 20 N 0.89 3.08 -0.57 5.22 5.36 1.03 -4.84 117.98 128.15 1it1 s PHE 20 Ca 0.27 -0.44 -0.16 0.00 -0.96 0.00 0.00 56.93 55.64 1it1 s PHE 20 Cb -0.16 -2.21 0.13 0.00 -0.34 0.00 0.00 43.02 40.45 1it1 s PHE 20 CO 0.11 -0.34 0.55 -0.80 -1.46 0.00 0.00 175.22 173.28 1it1 s ASN 21 N 1.48 6.23 0.43 6.13 0.02 -1.26 -1.16 114.94 126.81 1it1 s ASN 21 Ca 0.06 -1.81 0.22 0.00 -1.02 0.00 0.00 52.86 50.30 1it1 s ASN 21 Cb -0.15 -2.22 1.19 0.00 0.02 0.00 0.00 41.25 40.09 1it1 s ASN 21 CO 0.03 -0.87 1.79 0.45 0.02 0.00 0.00 177.10 178.52 1it1 h HIS 22 N 8.85 0.51 -0.88 2.20 3.86 -1.85 0.22 115.15 128.06 1it1 h HIS 22 Ca -0.27 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.15 1it1 h HIS 22 Cb 1.09 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 29.30 1it1 h HIS 22 CO 0.77 0.06 0.41 1.03 0.86 0.00 0.00 177.93 181.06 1it1 h SER 23 N 0.31 0.41 0.42 2.45 0.87 -1.90 3.04 113.55 119.15 1it1 h SER 23 Ca 0.56 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.25 1it1 h SER 23 Cb 1.58 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1it1 h SER 23 CO -0.22 0.09 0.00 0.41 -0.53 0.00 0.00 176.83 176.58 1it1 n THR 24 N -4.97 0.38 -0.02 2.23 -1.04 0.76 -2.88 114.28 108.73 1it1 n THR 24 Ca 0.20 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1it1 n THR 24 Cb 0.57 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 -1.30 0.00 0.07 -1.42 8.25 0.60 -4.65 115.22 116.76 1it1 n HIS 25 Ca 0.09 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.76 1it1 n HIS 25 Cb 0.17 0.00 0.67 0.00 1.12 0.00 0.00 29.99 31.95 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 0.00 0.00 -0.01 -0.41 2.10 0.47 2.17 116.57 120.89 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 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1it1 h LYS 26 CO 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 179.45 177.15 1it1 n ALA 27 N -2.23 3.17 -1.94 0.07 0.00 -1.26 -4.90 120.51 113.42 1it1 n ALA 27 Ca 0.09 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1it1 n ALA 27 Cb 0.79 -1.10 0.17 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.54 2.02 -0.54 0.00 1.01 0.73 -4.99 120.40 116.10 1it1 s VAL 28 Ca 0.23 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1it1 s VAL 28 Cb 0.19 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.70 1it1 s VAL 28 CO 0.54 0.00 0.76 -0.54 0.00 0.00 0.00 175.10 175.86 1it1 s LYS 29 N -5.76 3.19 0.62 2.72 3.01 -1.26 -4.86 119.74 117.40 1it1 s LYS 29 Ca 0.72 -0.70 0.23 0.00 -1.01 0.00 0.00 55.97 55.22 1it1 s LYS 29 Cb -0.04 -4.10 1.04 0.00 -1.01 0.00 0.00 37.83 33.71 1it1 s LYS 29 CO 0.51 -1.37 1.52 0.00 0.51 0.00 0.00 175.35 176.52 1it1 n GLY 31 N -1.55 -1.43 0.08 0.00 0.00 -1.26 -1.44 105.19 99.58 1it1 n GLY 31 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.10 0.00 1.61 1.82 0.51 -0.35 116.42 120.10 1it1 h ASP 32 Ca 0.00 -0.10 -0.18 0.00 -0.39 0.00 0.00 57.03 56.36 1it1 h ASP 32 Cb 0.74 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1it1 h ASP 32 CO 0.00 1.05 -1.30 0.00 -1.61 0.00 0.00 179.24 177.38 1it1 n HIS 34 N -4.45 1.58 -0.60 0.00 8.25 -0.52 -4.99 115.22 114.50 1it1 n HIS 34 Ca -0.27 -1.52 -0.22 0.00 -0.26 0.00 0.00 57.72 55.45 1it1 n HIS 34 Cb 0.59 -0.75 0.02 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.08 -2.20 -2.02 4.41 -0.00 -0.14 -2.55 115.22 112.64 1it1 n HIS 35 Ca 0.31 0.14 -0.42 0.00 -0.00 0.00 0.00 57.72 57.75 1it1 n HIS 35 Cb 0.89 -0.84 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 1it1 n HIS 35 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1it1 s PRO 36 N -1.19 4.19 -0.20 -1.40 0.04 -1.26 -2.93 135.00 132.24 1it1 s PRO 36 Ca 0.23 2.18 0.16 0.00 0.04 0.00 0.00 61.00 63.61 1it1 s PRO 36 Cb -0.04 -3.95 0.65 0.00 0.04 0.00 0.00 34.50 31.20 1it1 s PRO 36 CO 0.45 -0.83 1.56 0.28 0.04 0.00 0.00 177.00 178.50 1it1 n VAL 37 N 5.41 2.44 0.00 -0.36 0.31 -1.19 -4.85 118.33 120.09 1it1 n VAL 37 Ca 0.17 -1.66 0.00 0.00 -0.01 0.00 0.00 64.34 62.84 1it1 n VAL 37 Cb 0.43 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 0.01 0.00 0.00 4.52 2.85 -1.26 -4.93 115.26 116.45 1it1 n ASN 38 Ca 0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 1it1 n ASN 38 Cb 1.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.03 1it1 n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1it1 n GLY 39 N 0.00 -0.41 3.63 8.20 0.00 -1.26 -5.05 105.19 110.30 1it1 n GLY 39 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.00 0.78 -0.19 1.61 -2.85 -1.26 -5.08 119.74 112.75 1it1 s LYS 40 Ca 0.00 0.99 -0.33 0.00 -1.00 0.00 0.00 55.97 55.63 1it1 s LYS 40 Cb 0.00 0.35 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 1it1 s LYS 40 CO 0.00 -0.10 2.06 0.39 0.10 0.00 0.00 175.35 177.80 1it1 n GLU 41 N 2.89 1.85 -1.68 1.78 1.02 -1.26 -3.20 120.64 122.04 1it1 n GLU 41 Ca -0.15 0.60 -0.40 0.00 -0.02 0.00 0.00 57.16 57.19 1it1 n GLU 41 Cb 0.56 -2.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 1it1 n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1it1 s ASP 42 N 6.07 5.13 -1.39 1.62 1.11 -1.06 -4.84 116.67 123.32 1it1 s ASP 42 Ca 0.99 1.39 -0.09 0.00 0.18 0.00 0.00 52.55 55.03 1it1 s ASP 42 Cb -0.63 -2.51 0.08 0.00 1.07 0.00 0.00 42.92 40.93 1it1 s ASP 42 CO 0.46 -2.29 2.33 -1.22 1.18 0.00 0.00 175.17 175.63 1it1 n TYR 43 N 13.10 2.79 -4.19 4.23 4.01 -1.26 -4.66 117.16 131.18 1it1 n TYR 43 Ca 0.31 -2.89 -0.13 0.00 -0.16 0.00 0.00 57.90 55.02 1it1 n TYR 43 Cb 0.49 -2.11 -0.09 0.00 -0.31 0.00 0.00 39.34 37.33 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 0.60 1.37 0.13 -0.72 -2.07 -1.26 -5.07 119.66 112.65 1it1 s GLN 44 Ca 0.52 -1.68 -0.33 0.00 -1.82 0.00 0.00 55.36 52.05 1it1 s GLN 44 Cb 0.15 0.31 -0.18 0.00 -1.09 0.00 0.00 33.01 32.20 1it1 s GLN 44 CO -0.06 -0.48 0.82 0.36 -1.32 0.00 0.00 175.29 174.61 1it1 n LYS 45 N -0.36 0.24 -0.34 9.60 2.85 -1.26 -4.78 118.16 124.10 1it1 n LYS 45 Ca 0.03 0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1it1 n LYS 45 Cb 0.65 -1.34 0.31 0.00 -0.65 0.00 0.00 35.03 33.99 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 -2.36 6.13 -1.00 0.00 0.00 -1.25 0.04 120.51 122.07 1it1 n ALA 47 Ca 0.21 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1it1 n ALA 47 Cb 0.48 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.45 0.00 0.79 0.00 -1.04 -0.85 -4.27 114.28 108.45 1it1 n THR 48 Ca 0.49 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.60 1it1 n THR 48 Cb 0.32 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.28 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 -1.65 1.95 -1.88 2.41 0.00 -1.26 -3.10 120.51 116.98 1it1 n ALA 49 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1it1 n ALA 49 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.42 0.22 0.00 0.00 0.00 -1.26 -4.97 105.19 99.59 1it1 n GLY 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.49 -1.08 0.00 8.25 0.11 -4.49 115.22 120.50 1it1 n HIS 52 Ca 0.00 -2.96 0.01 0.00 -0.26 0.00 0.00 57.72 54.51 1it1 n HIS 52 Cb 0.00 -2.42 0.28 0.00 1.12 0.00 0.00 29.99 28.97 1it1 n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1it1 n ASP 53 N 4.08 4.24 -4.57 0.41 2.03 -1.18 -3.83 116.55 117.73 1it1 n ASP 53 Ca 0.71 -3.21 -0.42 0.00 0.52 0.00 0.00 54.79 52.40 1it1 n ASP 53 Cb 0.25 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1it1 n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1it1 s ASN 54 N -1.57 6.37 0.00 1.67 2.47 -1.21 -4.84 114.94 117.83 1it1 s ASN 54 Ca 0.49 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.74 1it1 s ASN 54 Cb 0.40 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1it1 s ASN 54 CO 0.10 -1.58 0.96 0.23 -3.72 0.00 0.00 177.10 173.09 1it1 n MET 55 N 8.69 0.97 0.02 0.43 2.81 -1.26 -3.06 117.12 125.73 1it1 n MET 55 Ca 0.07 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.10 1it1 n MET 55 Cb 0.49 -1.01 0.57 0.00 -0.71 0.00 0.00 33.22 32.56 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 -0.49 0.16 -1.73 7.83 2.03 -1.26 -4.86 116.55 118.23 1it1 n ASP 56 Ca 0.00 0.52 -0.04 0.00 0.52 0.00 0.00 54.79 55.78 1it1 n ASP 56 Cb 0.01 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 39.83 1it1 n ASP 56 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1it1 n LYS 57 N -1.65 -1.83 0.00 -0.67 0.00 -1.22 -4.56 118.16 108.23 1it1 n LYS 57 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.62 1it1 n LYS 57 Cb 0.36 -4.53 0.00 0.00 0.00 0.00 0.00 35.03 30.86 1it1 n LYS 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1it1 n LYS 58 N -1.88 1.19 -2.45 1.64 4.76 -1.26 -4.88 118.16 115.28 1it1 n LYS 58 Ca -0.05 -0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 54.87 1it1 n LYS 58 Cb 0.32 -0.45 -0.02 0.00 -1.84 0.00 0.00 35.03 33.04 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 -0.20 6.40 -0.15 4.39 -1.08 -1.26 -4.86 116.67 119.91 1it1 s ASP 59 Ca 0.00 0.58 0.03 0.00 -0.52 0.00 0.00 52.55 52.64 1it1 s ASP 59 Cb 0.00 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.19 1it1 s ASP 59 CO 0.00 -1.43 1.25 0.29 0.52 0.00 0.00 175.17 175.80 1it1 n LYS 60 N 8.12 1.80 0.00 4.34 4.76 -1.26 -4.31 118.16 131.62 1it1 n LYS 60 Ca 0.14 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 1it1 n LYS 60 Cb 0.49 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.03 0.12 -1.97 4.39 2.88 -1.26 -5.00 113.62 112.76 1it1 n SER 61 Ca 0.20 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1it1 n SER 61 Cb 0.86 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.67 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 4.30 0.00 -1.46 0.00 -1.26 -4.18 120.51 114.91 1it1 n ALA 62 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1it1 n ALA 62 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.19 4.14 -1.51 0.00 3.00 -1.26 -4.78 118.16 117.94 1it1 n LYS 63 Ca 0.35 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.34 1it1 n LYS 63 Cb 1.32 -0.51 0.07 0.00 0.00 0.00 0.00 35.03 35.91 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 -0.94 2.01 0.10 3.14 0.00 -1.26 -3.10 107.32 107.27 1it1 s GLY 64 Ca 0.00 0.51 0.22 0.00 0.00 0.00 0.00 44.72 45.45 1it1 s GLY 64 CO 0.00 0.87 0.81 2.98 0.00 0.00 0.00 173.10 177.76 1it1 n TYR 65 N -2.87 0.54 -0.09 1.90 9.36 -1.17 -4.15 117.16 120.68 1it1 n TYR 65 Ca 0.10 0.16 -0.16 0.00 3.32 0.00 0.00 57.90 61.32 1it1 n TYR 65 Cb 0.52 -0.75 -0.14 0.00 -0.63 0.00 0.00 39.34 38.34 1it1 n TYR 65 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1it1 n TYR 66 N -2.48 0.29 0.00 2.98 4.19 -1.26 -4.25 117.16 116.64 1it1 n TYR 66 Ca -0.02 0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1it1 n TYR 66 Cb 0.56 -1.04 0.00 0.00 0.49 0.00 0.00 39.34 39.34 1it1 n TYR 66 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1it1 n HIS 67 N -3.15 0.00 0.30 2.98 -0.00 -1.26 -0.15 115.22 113.95 1it1 n HIS 67 Ca -0.38 0.00 0.08 0.00 0.46 0.00 0.00 57.72 57.88 1it1 n HIS 67 Cb 1.05 -0.46 0.36 0.00 -0.12 0.00 0.00 29.99 30.81 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 -1.92 1.78 0.04 1.57 0.00 -1.81 0.88 119.26 119.81 1it1 h ALA 68 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1it1 h ALA 68 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1it1 h ALA 68 CO 0.00 -0.76 -1.98 -1.33 0.00 0.00 0.00 179.25 175.18 1it1 n MET 69 N -2.71 0.65 0.05 0.00 2.81 -0.87 -3.66 117.12 113.39 1it1 n MET 69 Ca 0.00 0.33 0.11 0.00 -1.81 0.00 0.00 57.70 56.34 1it1 n MET 69 Cb 0.77 -1.65 -0.06 0.00 -0.71 0.00 0.00 33.22 31.58 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 -3.85 0.53 -2.71 2.03 -0.00 0.79 0.73 115.22 112.74 1it1 n HIS 70 Ca -0.39 0.15 -0.41 0.00 -0.00 0.00 0.00 57.72 57.07 1it1 n HIS 70 Cb 0.90 -0.72 -0.04 0.00 -0.00 0.00 0.00 29.99 30.13 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 -4.85 7.43 -0.18 0.41 1.11 0.29 -4.54 116.67 116.34 1it1 s ASP 71 Ca -0.02 1.75 -0.17 0.00 0.18 0.00 0.00 52.55 54.29 1it1 s ASP 71 Cb 0.12 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.39 1it1 s ASP 71 CO 0.83 -0.15 0.10 0.11 1.18 0.00 0.00 175.17 177.24 1it1 h LYS 72 N 6.07 0.00 -3.49 8.23 1.57 -1.90 -3.37 116.57 123.67 1it1 h LYS 72 Ca -0.42 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.16 1it1 h LYS 72 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1it1 h LYS 72 CO 0.73 0.64 1.69 0.41 -0.57 0.00 0.00 179.45 182.35 1it1 n GLY 73 N 1.51 2.41 3.82 3.86 0.00 -1.26 -4.60 105.19 110.93 1it1 n GLY 73 Ca -0.22 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 3.74 4.57 0.40 2.61 -4.23 -1.26 -4.97 115.64 116.50 1it1 s THR 74 Ca 0.24 -1.14 0.28 0.00 -1.18 0.00 0.00 61.69 59.88 1it1 s THR 74 Cb 0.07 -3.38 0.44 0.00 1.34 0.00 0.00 72.50 70.96 1it1 s THR 74 CO -0.02 -0.19 1.49 1.17 -0.54 0.00 0.00 174.62 176.53 1it1 n LYS 75 N -0.65 -0.04 -4.45 3.99 3.00 -1.26 -4.48 118.16 114.26 1it1 n LYS 75 Ca -0.08 1.22 -0.23 0.00 -0.00 0.00 0.00 58.31 59.22 1it1 n LYS 75 Cb 0.56 -2.35 -0.09 0.00 0.00 0.00 0.00 35.03 33.15 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 -5.24 1.77 -0.28 5.64 0.08 -1.26 -5.08 117.98 113.61 1it1 s PHE 76 Ca -0.07 -1.23 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 1it1 s PHE 76 Cb 0.30 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1it1 s PHE 76 CO 0.77 -0.29 1.52 -1.59 -0.10 0.00 0.00 175.22 175.53 1it1 s LYS 77 N -3.79 3.75 0.94 0.44 -2.85 -1.26 -4.94 119.74 112.04 1it1 s LYS 77 Ca 0.30 1.42 -0.15 0.00 -1.00 0.00 0.00 55.97 56.54 1it1 s LYS 77 Cb 0.05 -4.01 0.18 0.00 -2.06 0.00 0.00 37.83 31.99 1it1 s LYS 77 CO 0.15 -1.34 1.28 -1.54 0.10 0.00 0.00 175.35 174.00 1it1 s SER 78 N 3.99 3.27 0.03 0.03 1.04 -1.26 -4.58 113.70 116.21 1it1 s SER 78 Ca 0.67 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 57.36 1it1 s SER 78 Cb -0.21 -0.57 -0.08 0.00 0.10 0.00 0.00 66.02 65.26 1it1 s SER 78 CO 0.28 -2.65 1.22 0.00 0.98 0.00 0.00 173.24 173.08 1it1 h VAL 80 N -0.50 1.02 -0.30 0.00 2.07 0.01 0.36 116.25 118.91 1it1 h VAL 80 Ca -0.05 -1.08 -0.15 0.00 0.82 0.00 0.00 66.70 66.25 1it1 h VAL 80 Cb 0.39 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1it1 h VAL 80 CO 0.06 0.29 -0.40 1.23 0.02 0.00 0.00 177.57 178.77 1it1 h GLY 81 N 1.16 0.86 2.00 2.17 0.00 -1.58 0.80 103.07 108.48 1it1 h GLY 81 Ca -0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 47.33 46.33 1it1 h GLY 81 CO 0.04 0.85 -0.27 0.00 0.00 0.00 0.00 176.54 177.15 1it1 h HIS 83 N 0.00 -0.24 -0.56 0.00 3.86 -0.06 0.14 115.15 118.30 1it1 h HIS 83 Ca -0.00 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 1it1 h HIS 83 Cb 1.19 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 1it1 h HIS 83 CO 0.00 0.11 0.44 1.25 0.86 0.00 0.00 177.93 180.58 1it1 h LEU 84 N -0.96 0.00 0.08 2.43 6.46 -0.94 0.62 115.31 123.00 1it1 h LEU 84 Ca -0.03 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 1it1 h LEU 84 Cb 0.45 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1it1 h LEU 84 CO 0.04 0.00 -0.49 -0.33 -0.62 0.00 0.00 178.44 177.04 1it1 h GLU 85 N 0.00 0.17 0.00 1.25 5.08 -1.49 -0.45 114.58 119.14 1it1 h GLU 85 Ca 0.27 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1it1 h GLU 85 Cb 1.13 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1it1 h GLU 85 CO -0.00 1.14 0.00 2.41 -1.00 0.00 0.00 179.01 181.55 1it1 n THR 86 N -4.33 0.83 -1.95 1.13 -1.04 0.49 -2.18 114.28 107.23 1it1 n THR 86 Ca -0.13 0.21 0.04 0.00 -2.04 0.00 0.00 64.05 62.13 1it1 n THR 86 Cb 0.68 -1.03 0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1it1 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 n ALA 87 N -1.33 2.43 0.89 2.41 0.00 0.09 -4.79 120.51 120.21 1it1 n ALA 87 Ca 0.05 -2.09 0.08 0.00 0.00 0.00 0.00 53.44 51.48 1it1 n ALA 87 Cb 0.10 -0.54 0.45 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.24 -0.69 0.00 0.00 0.00 -0.18 -2.62 105.19 101.46 1it1 n GLY 88 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.16 1.11 -3.67 4.61 0.00 -1.26 -4.93 120.51 115.21 1it1 n ALA 89 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 1it1 n ALA 89 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.18 3.29 0.57 0.00 -1.08 -1.08 -4.95 116.67 113.25 1it1 s ASP 90 Ca 0.00 -3.22 0.30 0.00 -0.52 0.00 0.00 52.55 49.11 1it1 s ASP 90 Cb 0.00 -1.04 1.02 0.00 -1.46 0.00 0.00 42.92 41.44 1it1 s ASP 90 CO 0.00 -0.17 1.29 0.00 0.52 0.00 0.00 175.17 176.81 1it1 n ALA 91 N 2.73 1.12 0.07 3.66 0.00 -1.26 0.25 120.51 127.08 1it1 n ALA 91 Ca 0.20 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.82 1it1 n ALA 91 Cb 0.39 -0.67 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 0.58 -0.01 0.00 0.00 0.00 -1.92 -2.88 119.26 115.03 1it1 h ALA 92 Ca 0.55 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1it1 h ALA 92 Cb 2.97 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.85 1it1 h ALA 92 CO -0.01 0.56 -0.10 0.87 0.00 0.00 0.00 179.25 180.58 1it1 h LYS 93 N 0.08 0.00 -0.00 0.00 1.57 0.31 -2.42 116.57 116.11 1it1 h LYS 93 Ca -0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1it1 h LYS 93 Cb 1.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.03 1it1 h LYS 93 CO 0.20 0.10 -0.80 0.87 -0.57 0.00 0.00 179.45 179.25 1it1 h LYS 94 N 0.00 0.09 0.00 3.15 1.57 -0.95 0.43 116.57 120.86 1it1 h LYS 94 Ca -0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1it1 h LYS 94 Cb 0.57 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1it1 h LYS 94 CO 0.01 0.83 -0.19 1.57 -0.57 0.00 0.00 179.45 181.11 1it1 h LYS 95 N 0.05 0.00 0.06 3.15 2.10 -1.23 0.81 116.57 121.52 1it1 h LYS 95 Ca -0.02 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.26 1it1 h LYS 95 Cb 1.39 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.68 1it1 h LYS 95 CO 0.11 0.10 -2.14 -0.85 -2.00 0.00 0.00 179.45 174.68 1it1 n GLU 96 N -3.09 0.69 -0.00 0.07 0.28 -0.98 -3.00 120.64 114.60 1it1 n GLU 96 Ca 0.03 0.26 -0.01 0.00 -0.16 0.00 0.00 57.16 57.28 1it1 n GLU 96 Cb 0.58 -1.63 -0.00 0.00 1.43 0.00 0.00 31.44 31.81 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 -0.15 -0.05 0.00 -1.84 3.38 -0.24 0.19 115.31 116.59 1it1 h LEU 97 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1it1 h LEU 97 Cb 1.88 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1it1 h LEU 97 CO -0.05 0.23 -1.03 0.35 0.09 0.00 0.00 178.44 178.03 1it1 n THR 98 N -3.64 0.62 -1.64 0.22 -2.24 -0.68 -4.73 114.28 102.20 1it1 n THR 98 Ca -0.01 -0.55 -0.53 0.00 -2.27 0.00 0.00 64.05 60.69 1it1 n THR 98 Cb 0.02 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.19 0.67 0.04 3.38 0.00 0.27 -4.87 105.19 105.86 1it1 n GLY 99 Ca -0.00 0.78 -0.00 0.00 0.00 0.00 0.00 46.02 46.79 1it1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it1 s LYS 101 N -1.40 3.33 0.00 0.00 1.02 -1.26 -4.05 119.74 117.37 1it1 s LYS 101 Ca -0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1it1 s LYS 101 Cb 0.00 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1it1 s LYS 101 CO 0.01 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1it1 n GLY 102 N 5.08 0.70 0.00 -3.33 0.00 -1.24 -5.09 105.19 101.31 1it1 n GLY 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -0.06 1.61 3.41 -1.16 -4.76 113.62 112.66 1it1 n SER 103 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1it1 n SER 103 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.86 0.13 4.33 4.76 0.66 -4.34 118.16 124.55 1it1 n LYS 104 Ca 0.00 -0.07 0.01 0.00 -2.87 0.00 0.00 58.31 55.38 1it1 n LYS 104 Cb 0.00 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 1it1 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1it1 s HIS 106 N -2.95 3.34 -2.24 0.00 3.76 -1.26 -4.48 115.29 111.46 1it1 s HIS 106 Ca 0.03 -3.24 0.30 0.00 -0.15 0.00 0.00 55.06 52.00 1it1 s HIS 106 Cb 0.08 -2.69 1.50 0.00 1.11 0.00 0.00 32.58 32.58 1it1 s HIS 106 CO 0.75 -0.63 2.00 0.45 -0.85 0.00 0.00 174.74 176.46