#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 4.54 -0.93 0.00 0.04 -1.26 -4.98 135.00 132.41 1it1 s PRO 2 Ca 0.00 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1it1 s PRO 2 Cb 0.00 -3.23 0.22 0.00 0.04 0.00 0.00 34.50 31.53 1it1 s PRO 2 CO 0.00 0.01 0.94 0.15 0.04 0.00 0.00 177.00 178.14 1it1 s LYS 3 N -0.57 3.78 0.20 4.56 1.02 -1.26 -5.02 119.74 122.45 1it1 s LYS 3 Ca 0.50 -2.56 -0.28 0.00 0.02 0.00 0.00 55.97 53.65 1it1 s LYS 3 Cb -0.32 -4.56 -0.17 0.00 -0.52 0.00 0.00 37.83 32.26 1it1 s LYS 3 CO 0.38 -1.37 0.52 0.00 -0.92 0.00 0.00 175.35 173.96 1it1 n ALA 4 N 4.10 -2.88 -1.74 5.17 0.00 -1.26 -4.90 120.51 118.99 1it1 n ALA 4 Ca 0.19 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.77 1it1 n ALA 4 Cb 0.45 -1.61 0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.99 2.92 0.96 0.00 0.04 -1.26 -5.02 135.00 131.65 1it1 s PRO 5 Ca 0.64 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1it1 s PRO 5 Cb -0.93 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 31.76 1it1 s PRO 5 CO 0.56 -1.04 1.05 0.00 0.04 0.00 0.00 177.00 177.60 1it1 n ALA 6 N -3.05 -1.31 -1.24 8.56 0.00 -1.26 -4.73 120.51 117.48 1it1 n ALA 6 Ca 0.07 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 1it1 n ALA 6 Cb 0.55 -2.13 0.11 0.00 0.00 0.00 0.00 19.45 17.99 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 -2.54 3.99 0.00 0.00 1.01 -1.26 -4.12 116.67 113.74 1it1 s ASP 7 Ca 0.66 1.64 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1it1 s ASP 7 Cb -0.23 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1it1 s ASP 7 CO 0.60 -2.34 0.00 0.61 0.21 0.00 0.00 175.17 174.25 1it1 n GLY 8 N -1.20 0.88 3.67 0.21 0.00 -1.04 -4.92 105.19 102.79 1it1 n GLY 8 Ca 0.08 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 4.40 -0.33 0.99 0.20 0.04 -4.61 118.68 119.37 1it1 s LEU 9 Ca 0.00 2.57 -0.14 0.00 0.69 0.00 0.00 54.13 57.25 1it1 s LEU 9 Cb 0.00 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.20 1it1 s LEU 9 CO 0.00 -1.00 0.31 -0.54 -0.29 0.00 0.00 176.35 174.83 1it1 s LYS 10 N 3.89 3.63 -0.63 1.98 1.02 -1.26 0.37 119.74 128.74 1it1 s LYS 10 Ca 0.82 -0.44 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 1it1 s LYS 10 Cb -0.41 -3.78 0.09 0.00 -0.52 0.00 0.00 37.83 33.21 1it1 s LYS 10 CO 0.37 -0.44 0.84 0.00 -0.92 0.00 0.00 175.35 175.20 1it1 s MET 11 N 1.90 3.08 -0.17 1.68 0.23 0.88 -4.84 119.30 122.06 1it1 s MET 11 Ca 0.10 -1.08 0.16 0.00 -1.03 0.00 0.00 55.69 53.83 1it1 s MET 11 Cb -0.17 -4.25 0.64 0.00 -1.53 0.00 0.00 34.83 29.52 1it1 s MET 11 CO 0.11 -1.68 1.55 -0.40 -2.03 0.00 0.00 175.02 172.57 1it1 n ASP 12 N 7.02 4.55 -0.24 -1.18 5.68 -1.26 -0.38 116.55 130.73 1it1 n ASP 12 Ca -0.06 -2.83 0.31 0.00 -0.50 0.00 0.00 54.79 51.71 1it1 n ASP 12 Cb 0.44 -0.57 0.73 0.00 -1.14 0.00 0.00 41.12 40.58 1it1 n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1it1 h LYS 13 N 2.86 0.01 -5.63 0.11 1.79 -1.91 -3.42 116.57 110.38 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 1.57 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.12 1it1 h LYS 13 CO 0.30 0.01 -0.45 0.95 -1.08 0.00 0.00 179.45 179.17 1it1 s THR 14 N -4.98 1.66 0.56 -0.16 -4.23 -1.26 -4.94 115.64 102.29 1it1 s THR 14 Ca -0.05 -1.77 0.34 0.00 -1.18 0.00 0.00 61.69 59.03 1it1 s THR 14 Cb 0.22 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 72.00 1it1 s THR 14 CO 0.79 0.00 2.25 0.11 -0.54 0.00 0.00 174.62 177.23 1it1 h LYS 15 N 1.22 0.00 -3.52 3.99 1.57 -1.97 -3.27 116.57 114.60 1it1 h LYS 15 Ca -0.42 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.60 1it1 h LYS 15 Cb 1.29 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.29 1it1 h LYS 15 CO 0.69 0.02 0.18 -0.65 -0.57 0.00 0.00 179.45 179.12 1it1 s GLN 16 N -4.36 3.73 0.27 3.15 -0.21 -1.26 -5.04 119.66 115.94 1it1 s GLN 16 Ca -0.04 -3.11 -0.29 0.00 0.02 0.00 0.00 55.36 51.93 1it1 s GLN 16 Cb 0.14 -4.29 -0.10 0.00 1.00 0.00 0.00 33.01 29.76 1it1 s GLN 16 CO 0.51 -1.25 1.34 -1.25 -2.12 0.00 0.00 175.29 172.53 1it1 s PRO 17 N -1.05 4.34 0.30 2.91 0.04 -1.23 -4.88 135.00 135.42 1it1 s PRO 17 Ca 0.27 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.59 1it1 s PRO 17 Cb -0.10 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1it1 s PRO 17 CO -0.09 -0.27 -0.11 0.08 0.04 0.00 0.00 177.00 176.65 1it1 s VAL 18 N -0.47 2.05 -0.22 -0.36 1.01 0.48 -4.76 120.40 118.14 1it1 s VAL 18 Ca 0.54 -2.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 1it1 s VAL 18 Cb -0.39 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1it1 s VAL 18 CO 0.46 -0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1it1 s VAL 19 N -2.75 3.10 -0.26 2.92 1.01 -1.25 0.30 120.40 123.46 1it1 s VAL 19 Ca 0.30 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1it1 s VAL 19 Cb 0.01 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1it1 s VAL 19 CO 0.14 0.43 0.19 0.12 0.00 0.00 0.00 175.10 175.97 1it1 s PHE 20 N 1.43 3.26 -0.64 5.22 5.36 1.18 -4.80 117.98 128.99 1it1 s PHE 20 Ca 0.05 0.18 -0.15 0.00 -0.96 0.00 0.00 56.93 56.05 1it1 s PHE 20 Cb -0.14 -2.34 0.16 0.00 -0.34 0.00 0.00 43.02 40.36 1it1 s PHE 20 CO -0.05 -0.07 0.59 -0.80 -1.46 0.00 0.00 175.22 173.43 1it1 s ASN 21 N 1.46 6.39 0.54 6.13 0.02 -1.26 -0.78 114.94 127.45 1it1 s ASN 21 Ca 0.08 -2.12 0.35 0.00 -1.02 0.00 0.00 52.86 50.15 1it1 s ASN 21 Cb -0.15 -2.21 1.53 0.00 0.02 0.00 0.00 41.25 40.44 1it1 s ASN 21 CO 0.08 -0.75 1.83 0.45 0.02 0.00 0.00 177.10 178.73 1it1 h HIS 22 N 8.48 0.00 -0.98 2.20 3.86 -1.85 0.35 115.15 127.22 1it1 h HIS 22 Ca -0.15 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1it1 h HIS 22 Cb 1.08 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.46 1it1 h HIS 22 CO 0.84 0.00 0.60 0.66 0.86 0.00 0.00 177.93 180.89 1it1 h SER 23 N 0.00 0.86 0.63 2.45 4.64 -1.90 2.56 113.55 122.79 1it1 h SER 23 Ca 0.51 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1it1 h SER 23 Cb 2.08 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1it1 h SER 23 CO -0.01 0.44 0.00 0.41 -0.87 0.00 0.00 176.83 176.80 1it1 n THR 24 N -4.67 0.32 0.00 2.95 -1.04 0.12 -3.08 114.28 108.89 1it1 n THR 24 Ca 0.19 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1it1 n THR 24 Cb 0.38 -0.68 -0.00 0.00 -1.82 0.00 0.00 70.33 68.21 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 -1.39 0.00 0.14 -1.42 8.25 0.23 -4.62 115.22 116.41 1it1 n HIS 25 Ca 0.08 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.73 1it1 n HIS 25 Cb 0.23 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.02 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 0.41 2.08 116.57 120.74 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1it1 h LYS 26 CO 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 179.45 177.07 1it1 n ALA 27 N -2.13 3.35 -1.94 0.07 0.00 -1.26 -4.91 120.51 113.69 1it1 n ALA 27 Ca 0.06 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 1it1 n ALA 27 Cb 0.70 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.55 2.01 -0.54 0.00 1.01 0.70 -4.98 120.40 116.06 1it1 s VAL 28 Ca 0.21 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1it1 s VAL 28 Cb 0.19 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1it1 s VAL 28 CO 0.57 0.00 0.79 -0.54 0.00 0.00 0.00 175.10 175.91 1it1 s LYS 29 N -5.82 3.21 0.62 2.72 3.01 -1.26 -4.86 119.74 117.36 1it1 s LYS 29 Ca 0.73 -0.62 0.24 0.00 -1.01 0.00 0.00 55.97 55.31 1it1 s LYS 29 Cb -0.04 -4.09 1.07 0.00 -1.01 0.00 0.00 37.83 33.76 1it1 s LYS 29 CO 0.52 -1.38 1.54 0.00 0.51 0.00 0.00 175.35 176.54 1it1 n GLY 31 N -1.54 -1.35 0.09 0.00 0.00 -1.26 -1.59 105.19 99.53 1it1 n GLY 31 Ca 0.11 -0.28 -0.11 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 0.21 0.00 1.61 1.82 0.53 -1.27 116.42 119.31 1it1 h ASP 32 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1it1 h ASP 32 Cb 0.64 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 1it1 h ASP 32 CO 0.00 1.14 -0.65 0.00 -1.61 0.00 0.00 179.24 178.12 1it1 n HIS 34 N -4.58 1.08 -0.76 0.00 8.25 -0.62 -4.98 115.22 113.61 1it1 n HIS 34 Ca -0.10 -1.74 -0.28 0.00 -0.26 0.00 0.00 57.72 55.34 1it1 n HIS 34 Cb 0.34 -1.14 0.03 0.00 1.12 0.00 0.00 29.99 30.34 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 1.05 -3.26 -1.86 4.41 1.44 -0.48 -3.51 115.22 113.00 1it1 n HIS 35 Ca 0.34 0.10 -0.41 0.00 -2.01 0.00 0.00 57.72 55.75 1it1 n HIS 35 Cb 0.62 -1.08 -0.03 0.00 0.12 0.00 0.00 29.99 29.62 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 -1.53 2.89 0.19 -1.40 0.04 -1.26 -3.48 135.00 130.45 1it1 s PRO 36 Ca 0.30 1.32 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1it1 s PRO 36 Cb -0.08 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1it1 s PRO 36 CO 0.60 -2.39 -0.02 0.08 0.04 0.00 0.00 177.00 175.31 1it1 s VAL 37 N 8.69 3.56 -0.85 -0.36 1.01 0.29 -4.51 120.40 128.25 1it1 s VAL 37 Ca 0.84 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1it1 s VAL 37 Cb -0.21 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1it1 s VAL 37 CO 0.29 -0.14 0.00 -3.20 0.00 0.00 0.00 175.10 172.05 1it1 n ASN 38 N -0.18 -2.30 0.00 3.32 4.05 -1.26 0.32 115.26 119.21 1it1 n ASN 38 Ca -0.10 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1it1 n ASN 38 Cb 0.56 -2.28 0.00 0.00 1.23 0.00 0.00 39.78 39.29 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 -0.24 1.16 2.95 8.20 0.00 -1.26 -5.02 105.19 110.97 1it1 n GLY 39 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.71 0.20 -0.28 1.61 -2.85 0.94 -5.01 119.74 113.63 1it1 s LYS 40 Ca 0.00 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.35 1it1 s LYS 40 Cb 0.00 0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.82 1it1 s LYS 40 CO 0.00 -0.03 1.69 -1.21 0.10 0.00 0.00 175.35 175.89 1it1 s GLU 41 N -0.84 3.59 -0.61 1.78 2.02 -1.26 0.11 118.70 123.48 1it1 s GLU 41 Ca -0.09 1.53 -0.26 0.00 0.02 0.00 0.00 54.97 56.16 1it1 s GLU 41 Cb -0.06 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1it1 s GLU 41 CO -0.00 -1.55 2.05 -0.51 0.02 0.00 0.00 175.26 175.26 1it1 s ASP 42 N 5.02 4.96 -0.50 -0.19 1.01 -1.23 -4.81 116.67 120.93 1it1 s ASP 42 Ca 0.75 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 54.38 1it1 s ASP 42 Cb -0.23 -2.52 -0.19 0.00 1.01 0.00 0.00 42.92 40.98 1it1 s ASP 42 CO 0.32 -2.62 3.36 -1.22 0.21 0.00 0.00 175.17 175.21 1it1 n TYR 43 N 14.03 0.82 -4.46 4.23 4.01 -1.26 -4.69 117.16 129.84 1it1 n TYR 43 Ca 0.28 -1.99 -0.22 0.00 -0.16 0.00 0.00 57.90 55.81 1it1 n TYR 43 Cb 0.52 -1.82 -0.10 0.00 -0.31 0.00 0.00 39.34 37.63 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 1.04 1.71 0.08 -0.72 -2.07 -1.26 -5.05 119.66 113.38 1it1 s GLN 44 Ca 0.67 -1.97 -0.37 0.00 -1.82 0.00 0.00 55.36 51.87 1it1 s GLN 44 Cb 0.28 -0.79 -0.18 0.00 -1.09 0.00 0.00 33.01 31.24 1it1 s GLN 44 CO -0.03 -0.26 1.17 1.63 -1.32 0.00 0.00 175.29 176.48 1it1 n LYS 45 N -0.73 0.69 -0.30 9.60 5.02 -1.26 -4.78 118.16 126.39 1it1 n LYS 45 Ca -0.03 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.64 1it1 n LYS 45 Cb 0.66 -1.78 0.30 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.57 6.45 -0.88 0.00 0.00 -1.26 -2.56 120.51 119.69 1it1 n ALA 47 Ca 0.22 -4.01 -0.02 0.00 0.00 0.00 0.00 53.44 49.63 1it1 n ALA 47 Cb 0.67 -2.26 0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 0.41 0.00 0.13 0.00 -1.04 -0.47 -4.50 114.28 108.81 1it1 n THR 48 Ca 0.53 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.52 1it1 n THR 48 Cb 0.31 -0.11 0.20 0.00 -1.82 0.00 0.00 70.33 68.91 1it1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 h ALA 49 N -1.78 1.03 -1.50 2.41 0.00 -1.94 -3.30 119.26 114.17 1it1 h ALA 49 Ca -0.04 -0.51 -0.49 0.00 0.00 0.00 0.00 54.91 53.87 1it1 h ALA 49 Cb 0.15 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.44 1it1 h ALA 49 CO 0.03 0.70 -0.96 0.41 0.00 0.00 0.00 179.25 179.42 1it1 n GLY 50 N 0.10 3.93 0.00 0.00 0.00 -1.26 -4.87 105.19 103.09 1it1 n GLY 50 Ca -0.02 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.32 -1.06 0.00 8.25 -1.06 -4.36 115.22 117.31 1it1 n HIS 52 Ca 0.00 -1.59 -0.03 0.00 -0.26 0.00 0.00 57.72 55.84 1it1 n HIS 52 Cb 0.00 -1.62 0.30 0.00 1.12 0.00 0.00 29.99 29.80 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 2.71 4.66 -4.57 0.41 5.68 -1.21 -3.46 116.55 120.77 1it1 n ASP 53 Ca 0.44 -3.22 -0.42 0.00 -0.50 0.00 0.00 54.79 51.09 1it1 n ASP 53 Cb 0.75 -0.71 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.23 6.34 0.00 -1.12 2.47 -1.21 -4.83 114.94 115.36 1it1 s ASN 54 Ca 0.53 -0.05 0.04 0.00 0.42 0.00 0.00 52.86 53.80 1it1 s ASN 54 Cb 0.43 -2.56 0.26 0.00 -1.45 0.00 0.00 41.25 37.93 1it1 s ASN 54 CO 0.12 -1.61 1.13 0.23 -3.72 0.00 0.00 177.10 173.25 1it1 n MET 55 N 8.74 0.96 0.00 0.43 2.81 -1.26 -3.29 117.12 125.52 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 -1.07 0.63 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 -0.57 0.00 -2.06 7.83 2.03 -1.26 -4.86 116.55 117.66 1it1 n ASP 56 Ca 0.03 0.43 -0.02 0.00 0.52 0.00 0.00 54.79 55.75 1it1 n ASP 56 Cb 0.01 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -1.48 -2.34 0.00 -0.67 0.00 -1.21 -4.54 118.16 107.92 1it1 n LYS 57 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.47 1it1 n LYS 57 Cb 0.33 -4.45 0.00 0.00 0.00 0.00 0.00 35.03 30.90 1it1 n LYS 57 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1it1 n LYS 58 N -2.11 2.55 -1.61 1.64 -0.00 -1.26 -4.85 118.16 112.52 1it1 n LYS 58 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.86 1it1 n LYS 58 Cb 0.38 -0.76 -0.03 0.00 -0.00 0.00 0.00 35.03 34.61 1it1 n LYS 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1it1 n ASP 59 N -0.98 3.45 -1.20 -5.58 2.03 -1.26 -4.81 116.55 108.19 1it1 n ASP 59 Ca 0.00 0.34 -0.02 0.00 0.52 0.00 0.00 54.79 55.64 1it1 n ASP 59 Cb 0.10 -1.55 0.13 0.00 -0.72 0.00 0.00 41.12 39.08 1it1 n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1it1 n LYS 60 N 8.51 2.15 0.00 -0.67 4.76 -1.26 -4.39 118.16 127.27 1it1 n LYS 60 Ca 0.28 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.51 1it1 n LYS 60 Cb 0.44 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.11 0.00 -1.90 4.39 2.88 -1.26 -4.99 113.62 112.84 1it1 n SER 61 Ca 0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.76 1it1 n SER 61 Cb 0.74 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.61 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 3.90 0.06 -1.46 0.00 -1.26 -4.15 120.51 114.60 1it1 n ALA 62 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 53.44 51.52 1it1 n ALA 62 Cb 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.64 5.22 -2.72 0.00 3.00 -1.26 -4.76 118.16 118.27 1it1 n LYS 63 Ca 0.28 -0.11 -0.34 0.00 -0.00 0.00 0.00 58.31 58.14 1it1 n LYS 63 Cb 1.21 -0.64 -0.06 0.00 0.00 0.00 0.00 35.03 35.53 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 -0.92 2.48 -0.10 3.14 0.00 -1.26 -3.32 107.32 107.34 1it1 s GLY 64 Ca 0.01 0.49 -0.21 0.00 0.00 0.00 0.00 44.72 45.01 1it1 s GLY 64 CO 0.04 0.80 0.68 -1.82 0.00 0.00 0.00 173.10 172.80 1it1 h TYR 65 N 1.95 0.34 -0.18 1.90 3.20 -1.58 -3.31 116.97 119.29 1it1 h TYR 65 Ca -0.49 -0.25 -0.17 0.00 3.14 0.00 0.00 58.73 60.96 1it1 h TYR 65 Cb 1.20 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1it1 h TYR 65 CO 0.60 1.35 -0.60 -0.92 -1.64 0.00 0.00 178.16 176.95 1it1 h TYR 66 N -0.54 0.76 0.00 -3.82 5.03 -1.87 -3.20 116.97 113.32 1it1 h TYR 66 Ca -0.19 -0.29 0.00 0.00 2.58 0.00 0.00 58.73 60.83 1it1 h TYR 66 Cb 1.52 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.66 1it1 h TYR 66 CO 0.18 1.04 0.00 1.58 -1.32 0.00 0.00 178.16 179.64 1it1 n HIS 67 N -3.94 0.00 0.26 -3.82 -0.00 -1.26 -0.21 115.22 106.25 1it1 n HIS 67 Ca -0.04 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.25 1it1 n HIS 67 Cb 0.64 -0.47 0.45 0.00 -0.12 0.00 0.00 29.99 30.49 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 -1.75 1.82 0.10 1.57 0.00 -1.68 1.04 119.26 120.35 1it1 h ALA 68 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1it1 h ALA 68 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1it1 h ALA 68 CO 0.00 -0.76 -1.79 0.52 0.00 0.00 0.00 179.25 177.22 1it1 h MET 69 N 0.00 0.20 0.00 0.00 2.86 -1.27 -3.23 114.93 113.50 1it1 h MET 69 Ca 0.06 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1it1 h MET 69 Cb 1.44 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1it1 h MET 69 CO -0.00 1.16 -1.60 0.72 1.06 0.00 0.00 176.91 178.25 1it1 n HIS 70 N -3.75 0.00 -2.79 -0.22 -0.00 0.71 0.90 115.22 110.07 1it1 n HIS 70 Ca -0.32 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 56.98 1it1 n HIS 70 Cb 0.95 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.61 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 -3.92 7.06 -0.12 0.41 1.11 0.34 -4.59 116.67 116.97 1it1 s ASP 71 Ca -0.02 1.31 -0.20 0.00 0.18 0.00 0.00 52.55 53.83 1it1 s ASP 71 Cb 0.15 -2.50 -0.26 0.00 1.07 0.00 0.00 42.92 41.38 1it1 s ASP 71 CO 0.89 -0.46 0.58 0.11 1.18 0.00 0.00 175.17 177.47 1it1 h LYS 72 N 7.29 0.17 -3.14 8.23 6.56 -1.90 -3.37 116.57 130.40 1it1 h LYS 72 Ca -0.28 -0.29 -0.25 0.00 -1.06 0.00 0.00 60.65 58.77 1it1 h LYS 72 Cb 1.12 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1it1 h LYS 72 CO 0.87 1.14 1.57 0.41 -2.06 0.00 0.00 179.45 181.37 1it1 n GLY 73 N 1.66 2.60 3.79 3.86 0.00 -1.26 -4.65 105.19 111.18 1it1 n GLY 73 Ca -0.22 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 3.03 4.33 0.25 2.61 -4.23 -1.26 -5.00 115.64 115.37 1it1 s THR 74 Ca 0.34 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.43 1it1 s THR 74 Cb 0.11 -3.28 0.36 0.00 1.34 0.00 0.00 72.50 71.04 1it1 s THR 74 CO -0.02 -0.23 1.46 1.17 -0.54 0.00 0.00 174.62 176.45 1it1 n LYS 75 N -0.74 -0.13 -4.23 3.99 0.00 -1.26 -4.54 118.16 111.25 1it1 n LYS 75 Ca -0.08 1.45 -0.29 0.00 0.00 0.00 0.00 58.31 59.39 1it1 n LYS 75 Cb 0.56 -2.17 -0.04 0.00 0.00 0.00 0.00 35.03 33.39 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 -5.48 0.38 -2.43 5.64 3.72 -1.26 -5.06 117.46 112.98 1it1 n PHE 76 Ca 0.13 -2.35 -0.43 0.00 -0.05 0.00 0.00 57.45 54.75 1it1 n PHE 76 Cb 0.44 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 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 -3.96 3.89 0.97 -1.08 -2.85 -1.26 -4.95 119.74 110.50 1it1 s LYS 77 Ca 0.13 1.20 -0.16 0.00 -1.00 0.00 0.00 55.97 56.14 1it1 s LYS 77 Cb -0.01 -3.89 0.20 0.00 -2.06 0.00 0.00 37.83 32.07 1it1 s LYS 77 CO 0.08 -1.16 1.30 -1.54 0.10 0.00 0.00 175.35 174.13 1it1 s SER 78 N 2.84 3.05 0.02 0.03 1.04 -1.26 -4.59 113.70 114.83 1it1 s SER 78 Ca 0.56 0.34 -0.14 0.00 0.48 0.00 0.00 55.95 57.19 1it1 s SER 78 Cb -0.16 -0.43 -0.07 0.00 0.10 0.00 0.00 66.02 65.46 1it1 s SER 78 CO 0.24 -2.78 1.21 0.00 0.98 0.00 0.00 173.24 172.89 1it1 h VAL 80 N -0.48 1.10 -0.33 0.00 2.07 0.23 0.28 116.25 119.13 1it1 h VAL 80 Ca -0.05 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 1it1 h VAL 80 Cb 0.37 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1it1 h VAL 80 CO 0.07 0.29 -0.23 1.23 0.02 0.00 0.00 177.57 178.95 1it1 h GLY 81 N 1.05 0.81 2.00 2.17 0.00 -1.63 0.15 103.07 107.63 1it1 h GLY 81 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 1it1 h GLY 81 CO 0.04 0.70 -0.19 0.00 0.00 0.00 0.00 176.54 177.09 1it1 h HIS 83 N 0.00 -0.23 -0.91 0.00 3.86 -0.14 0.70 115.15 118.44 1it1 h HIS 83 Ca -0.00 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.45 1it1 h HIS 83 Cb 1.11 0.07 -0.05 0.00 1.06 0.00 0.00 27.41 29.61 1it1 h HIS 83 CO 0.00 0.02 0.64 1.25 0.86 0.00 0.00 177.93 180.70 1it1 h LEU 84 N -1.02 0.10 0.06 2.43 6.46 -0.81 0.14 115.31 122.67 1it1 h LEU 84 Ca -0.02 0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.53 1it1 h LEU 84 Cb 0.35 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1it1 h LEU 84 CO 0.04 0.03 -1.13 -0.08 -0.62 0.00 0.00 178.44 176.68 1it1 h GLU 85 N 0.10 0.13 0.00 1.25 4.22 -1.55 -3.30 114.58 115.44 1it1 h GLU 85 Ca 0.45 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1it1 h GLU 85 Cb 1.61 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1it1 h GLU 85 CO -0.05 1.11 0.00 2.41 -2.18 0.00 0.00 179.01 180.29 1it1 n THR 86 N -4.18 1.40 0.08 0.32 -1.04 0.25 -1.39 114.28 109.72 1it1 n THR 86 Ca -0.25 0.57 -0.16 0.00 -2.04 0.00 0.00 64.05 62.18 1it1 n THR 86 Cb 0.77 -1.55 -0.14 0.00 -1.82 0.00 0.00 70.33 67.59 1it1 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1it1 h ALA 87 N 2.05 0.20 -5.45 2.41 0.00 -0.84 -3.49 119.26 114.15 1it1 h ALA 87 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.87 1it1 h ALA 87 Cb 0.05 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1it1 h ALA 87 CO 0.00 1.07 -0.12 0.41 0.00 0.00 0.00 179.25 180.61 1it1 n GLY 88 N 1.58 -1.24 4.10 0.00 0.00 -0.48 -3.28 105.19 105.87 1it1 n GLY 88 Ca -0.12 0.49 -0.46 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 -2.57 -3.69 4.61 0.00 -1.26 -4.90 120.51 110.76 1it1 n ALA 89 Ca -0.02 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1it1 n ALA 89 Cb 0.52 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.36 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 -3.60 3.49 0.51 0.00 2.15 -1.21 -4.96 116.67 113.06 1it1 s ASP 90 Ca 0.46 -2.90 0.40 0.00 0.43 0.00 0.00 52.55 50.94 1it1 s ASP 90 Cb -0.25 -1.04 1.39 0.00 -0.30 0.00 0.00 42.92 42.71 1it1 s ASP 90 CO 0.98 -0.22 1.35 0.00 -0.17 0.00 0.00 175.17 177.10 1it1 n ALA 91 N 3.17 1.52 -0.02 3.66 0.00 -1.26 0.24 120.51 127.82 1it1 n ALA 91 Ca 0.14 0.52 -0.16 0.00 0.00 0.00 0.00 53.44 53.94 1it1 n ALA 91 Cb 0.37 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 0.79 0.06 0.00 0.00 0.00 -1.96 -1.87 119.26 116.28 1it1 h ALA 92 Ca 0.75 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1it1 h ALA 92 Cb 3.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 21.02 1it1 h ALA 92 CO -0.01 0.17 -0.50 0.87 0.00 0.00 0.00 179.25 179.79 1it1 h LYS 93 N -0.35 0.00 0.00 0.00 1.57 0.28 -2.64 116.57 115.43 1it1 h LYS 93 Ca -0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1it1 h LYS 93 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1it1 h LYS 93 CO 0.07 0.50 -0.52 0.87 -0.57 0.00 0.00 179.45 179.80 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 1.57 0.15 0.47 116.57 121.91 1it1 h LYS 94 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1it1 h LYS 94 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1it1 h LYS 94 CO 0.06 0.52 -0.59 1.57 -0.57 0.00 0.00 179.45 180.45 1it1 h LYS 95 N 0.00 0.00 0.04 3.15 5.09 -1.23 1.26 116.57 124.87 1it1 h LYS 95 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 60.65 60.36 1it1 h LYS 95 Cb 1.14 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.42 1it1 h LYS 95 CO 0.07 0.05 -2.18 -0.85 -2.09 0.00 0.00 179.45 174.45 1it1 n GLU 96 N -2.90 0.66 -0.00 0.07 0.28 -1.01 -2.82 120.64 114.91 1it1 n GLU 96 Ca 0.01 0.26 -0.01 0.00 -0.16 0.00 0.00 57.16 57.27 1it1 n GLU 96 Cb 0.57 -1.60 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 -0.31 -0.06 0.00 -1.84 3.38 -0.20 0.52 115.31 116.80 1it1 h LEU 97 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1it1 h LEU 97 Cb 1.80 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1it1 h LEU 97 CO -0.12 0.25 -1.08 0.35 0.09 0.00 0.00 178.44 177.93 1it1 n THR 98 N -3.79 0.53 -1.64 0.22 -2.24 -0.96 -4.74 114.28 101.67 1it1 n THR 98 Ca -0.01 -0.52 -0.55 0.00 -2.27 0.00 0.00 64.05 60.70 1it1 n THR 98 Cb 0.03 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 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 1.20 0.57 0.03 3.38 0.00 0.43 -4.87 105.19 105.94 1it1 n GLY 99 Ca -0.00 0.80 -0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.38 3.24 0.00 0.00 1.02 -1.26 -4.07 119.74 117.29 1it1 s LYS 101 Ca -0.00 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1it1 s LYS 101 Cb 0.00 -3.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1it1 s LYS 101 CO 0.01 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1it1 n GLY 102 N 5.11 0.76 0.00 -3.33 0.00 -1.23 -5.09 105.19 101.40 1it1 n GLY 102 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.07 1.61 3.41 -1.13 -4.76 113.62 112.69 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 0.88 0.14 4.33 4.76 0.17 -4.33 118.16 124.11 1it1 n LYS 104 Ca 0.00 -0.06 0.02 0.00 -2.87 0.00 0.00 58.31 55.40 1it1 n LYS 104 Cb 0.00 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.97 3.09 -2.00 0.00 3.76 -1.26 -4.39 115.29 111.52 1it1 s HIS 106 Ca 0.04 -3.11 0.06 0.00 -0.15 0.00 0.00 55.06 51.90 1it1 s HIS 106 Cb 0.08 -2.68 0.38 0.00 1.11 0.00 0.00 32.58 31.47 1it1 s HIS 106 CO 0.75 -0.71 0.85 0.43 -0.85 0.00 0.00 174.74 175.20