#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 3.69 -0.78 0.00 0.04 -1.26 -5.00 135.00 131.69 1it1 s PRO 2 Ca 0.00 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 1it1 s PRO 2 Cb 0.00 -2.13 0.20 0.00 0.04 0.00 0.00 34.50 32.61 1it1 s PRO 2 CO 0.00 -0.55 0.66 0.15 0.04 0.00 0.00 177.00 177.30 1it1 s LYS 3 N -3.13 3.14 0.21 4.56 1.02 -1.26 -5.05 119.74 119.23 1it1 s LYS 3 Ca 0.68 -2.74 -0.27 0.00 0.02 0.00 0.00 55.97 53.66 1it1 s LYS 3 Cb -0.20 -4.04 -0.16 0.00 -0.52 0.00 0.00 37.83 32.90 1it1 s LYS 3 CO 0.24 -1.23 0.48 0.00 -0.92 0.00 0.00 175.35 173.92 1it1 n ALA 4 N 3.29 -2.84 -1.76 5.17 0.00 -1.26 -4.89 120.51 118.22 1it1 n ALA 4 Ca 0.14 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 1it1 n ALA 4 Cb 0.40 -1.56 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 -0.97 3.23 0.58 0.00 0.04 -1.26 -5.00 135.00 131.62 1it1 s PRO 5 Ca 0.62 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1it1 s PRO 5 Cb -0.89 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1it1 s PRO 5 CO 0.55 -0.84 1.23 0.00 0.04 0.00 0.00 177.00 177.98 1it1 n ALA 6 N -2.93 1.06 -0.67 8.56 0.00 -1.26 -4.73 120.51 120.53 1it1 n ALA 6 Ca 0.07 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1it1 n ALA 6 Cb 0.54 -2.27 0.18 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.11 2.53 0.00 0.00 1.01 -1.26 -4.07 116.67 113.77 1it1 s ASP 7 Ca 0.75 2.05 0.00 0.00 0.71 0.00 0.00 52.55 56.07 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 0.47 -3.32 0.00 0.61 0.21 0.00 0.00 175.17 173.13 1it1 n GLY 8 N 0.31 0.95 3.66 0.21 0.00 -1.04 -4.91 105.19 104.37 1it1 n GLY 8 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 4.34 -0.43 0.99 0.20 -0.26 -4.63 118.68 118.89 1it1 s LEU 9 Ca 0.00 2.46 -0.16 0.00 0.69 0.00 0.00 54.13 57.12 1it1 s LEU 9 Cb 0.00 -3.53 0.04 0.00 -0.43 0.00 0.00 46.19 42.27 1it1 s LEU 9 CO 0.00 -1.05 0.36 -0.54 -0.29 0.00 0.00 176.35 174.84 1it1 s LYS 10 N 4.38 3.00 -0.53 1.98 1.02 -1.25 0.26 119.74 128.59 1it1 s LYS 10 Ca 0.83 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1it1 s LYS 10 Cb -0.38 -4.03 0.04 0.00 -0.52 0.00 0.00 37.83 32.93 1it1 s LYS 10 CO 0.37 -0.87 0.94 -1.64 -0.92 0.00 0.00 175.35 173.23 1it1 s MET 11 N 1.78 3.39 -0.20 1.68 -1.94 0.27 -4.82 119.30 119.45 1it1 s MET 11 Ca 0.06 -0.14 0.16 0.00 -1.71 0.00 0.00 55.69 54.06 1it1 s MET 11 Cb -0.20 -4.02 0.61 0.00 2.01 0.00 0.00 34.83 33.23 1it1 s MET 11 CO 0.10 -1.42 1.52 -0.40 -0.01 0.00 0.00 175.02 174.81 1it1 n ASP 12 N 7.40 4.37 -0.16 3.03 5.75 -1.26 -1.18 116.55 134.50 1it1 n ASP 12 Ca 0.03 -3.03 0.29 0.00 -0.01 0.00 0.00 54.79 52.07 1it1 n ASP 12 Cb 0.48 -0.59 0.72 0.00 -1.03 0.00 0.00 41.12 40.69 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 2.38 0.00 0.00 0.11 1.79 -1.92 -3.42 116.57 115.51 1it1 h LYS 13 Ca 0.01 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1it1 h LYS 13 Cb 1.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 1it1 h LYS 13 CO 0.32 0.00 -0.06 0.25 -1.08 0.00 0.00 179.45 178.88 1it1 n THR 14 N -4.03 0.00 0.17 -0.16 -2.24 -1.26 -4.97 114.28 101.79 1it1 n THR 14 Ca 0.18 -0.34 0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1it1 n THR 14 Cb 1.00 -0.08 0.24 0.00 -2.10 0.00 0.00 70.33 69.39 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 -3.64 -0.78 6.56 -1.96 -3.36 116.57 113.39 1it1 h LYS 15 Ca -0.06 0.00 -0.78 0.00 -1.06 0.00 0.00 60.65 58.76 1it1 h LYS 15 Cb 0.18 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 31.56 1it1 h LYS 15 CO 0.09 0.46 0.18 -0.65 -2.06 0.00 0.00 179.45 177.47 1it1 s GLN 16 N -3.43 3.72 0.38 3.15 -0.21 -1.26 -5.04 119.66 116.97 1it1 s GLN 16 Ca 0.01 -2.88 -0.27 0.00 0.02 0.00 0.00 55.36 52.24 1it1 s GLN 16 Cb 0.10 -4.37 -0.09 0.00 1.00 0.00 0.00 33.01 29.66 1it1 s GLN 16 CO 0.71 -1.26 1.27 -1.25 -2.12 0.00 0.00 175.29 172.65 1it1 s PRO 17 N -0.63 4.10 0.03 2.91 0.04 -1.26 -4.91 135.00 135.28 1it1 s PRO 17 Ca 0.24 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.46 1it1 s PRO 17 Cb -0.11 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1it1 s PRO 17 CO -0.09 -0.37 -0.21 0.08 0.04 0.00 0.00 177.00 176.45 1it1 s VAL 18 N -1.26 1.72 -0.43 -0.36 1.01 -0.33 -4.68 120.40 116.08 1it1 s VAL 18 Ca 0.55 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1it1 s VAL 18 Cb -0.37 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1it1 s VAL 18 CO 0.48 0.27 0.43 -0.69 0.00 0.00 0.00 175.10 175.58 1it1 s VAL 19 N -0.75 5.10 -0.27 2.92 1.01 -1.25 0.96 120.40 128.13 1it1 s VAL 19 Ca 0.08 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 1it1 s VAL 19 Cb -0.09 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1it1 s VAL 19 CO 0.01 -0.44 0.55 0.12 0.00 0.00 0.00 175.10 175.34 1it1 s PHE 20 N 2.08 3.25 -0.58 5.22 5.36 0.72 -4.74 117.98 129.29 1it1 s PHE 20 Ca 0.11 0.62 -0.16 0.00 -0.96 0.00 0.00 56.93 56.54 1it1 s PHE 20 Cb -0.18 -2.79 0.13 0.00 -0.34 0.00 0.00 43.02 39.85 1it1 s PHE 20 CO 0.13 -0.33 0.57 -0.80 -1.46 0.00 0.00 175.22 173.33 1it1 s ASN 21 N 1.56 6.25 0.45 6.13 -0.87 -1.26 -1.10 114.94 126.10 1it1 s ASN 21 Ca 0.22 -1.82 0.24 0.00 -1.57 0.00 0.00 52.86 49.94 1it1 s ASN 21 Cb -0.15 -2.23 1.26 0.00 -0.02 0.00 0.00 41.25 40.11 1it1 s ASN 21 CO 0.10 -0.88 1.81 0.45 -2.57 0.00 0.00 177.10 176.00 1it1 h HIS 22 N 8.83 0.40 -0.91 2.20 3.86 -1.85 0.23 115.15 127.91 1it1 h HIS 22 Ca -0.25 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.17 1it1 h HIS 22 Cb 1.09 -0.12 -0.11 0.00 1.06 0.00 0.00 27.41 29.33 1it1 h HIS 22 CO 0.78 0.05 0.47 1.03 0.86 0.00 0.00 177.93 181.12 1it1 h SER 23 N 0.25 0.50 0.57 2.45 0.87 -1.90 2.91 113.55 119.20 1it1 h SER 23 Ca 0.55 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 1it1 h SER 23 Cb 1.67 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1it1 h SER 23 CO -0.17 0.12 0.00 0.35 -0.53 0.00 0.00 176.83 176.59 1it1 n THR 24 N -4.93 0.27 -0.03 2.23 -2.24 0.81 -3.03 114.28 107.36 1it1 n THR 24 Ca 0.21 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1it1 n THR 24 Cb 0.59 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1it1 n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1it1 n HIS 25 N -1.35 0.00 0.21 4.78 8.25 0.52 -4.63 115.22 123.00 1it1 n HIS 25 Ca 0.10 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.74 1it1 n HIS 25 Cb 0.22 0.00 0.84 0.00 1.12 0.00 0.00 29.99 32.17 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 0.45 0.95 116.57 119.64 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 -0.23 0.00 -2.00 0.00 0.00 179.45 177.22 1it1 n ALA 27 N -2.25 3.02 -1.94 0.07 0.00 -1.26 -4.90 120.51 113.24 1it1 n ALA 27 Ca 0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 1it1 n ALA 27 Cb 0.38 -1.07 0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.37 2.05 -0.54 0.00 1.01 0.33 -4.99 120.40 115.89 1it1 s VAL 28 Ca 0.26 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1it1 s VAL 28 Cb 0.19 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1it1 s VAL 28 CO 0.48 0.00 0.85 -0.54 0.00 0.00 0.00 175.10 175.89 1it1 s LYS 29 N -5.65 3.28 0.62 2.72 3.01 -1.26 -4.86 119.74 117.60 1it1 s LYS 29 Ca 0.71 -0.43 0.23 0.00 -1.01 0.00 0.00 55.97 55.47 1it1 s LYS 29 Cb -0.05 -4.06 1.01 0.00 -1.01 0.00 0.00 37.83 33.72 1it1 s LYS 29 CO 0.50 -1.41 1.51 0.00 0.51 0.00 0.00 175.35 176.46 1it1 n GLY 31 N -1.54 -1.31 0.09 0.00 0.00 -1.26 -1.60 105.19 99.57 1it1 n GLY 31 Ca 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.00 1.61 1.82 0.49 -1.55 116.42 118.80 1it1 h ASP 32 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1it1 h ASP 32 Cb 0.65 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1it1 h ASP 32 CO 0.00 0.82 -0.86 0.00 -1.61 0.00 0.00 179.24 177.59 1it1 n HIS 34 N -4.51 1.05 -0.69 0.00 8.25 -0.63 -4.98 115.22 113.72 1it1 n HIS 34 Ca -0.13 -1.74 -0.24 0.00 -0.26 0.00 0.00 57.72 55.35 1it1 n HIS 34 Cb 0.44 -1.18 0.02 0.00 1.12 0.00 0.00 29.99 30.39 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 1.12 -3.11 -1.84 4.41 1.44 -0.58 -3.42 115.22 113.24 1it1 n HIS 35 Ca 0.36 0.04 -0.39 0.00 -2.01 0.00 0.00 57.72 55.72 1it1 n HIS 35 Cb 0.63 -0.97 -0.03 0.00 0.12 0.00 0.00 29.99 29.74 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 -1.17 2.59 0.14 -1.40 0.04 -1.26 -3.37 135.00 130.57 1it1 s PRO 36 Ca 0.28 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.48 1it1 s PRO 36 Cb -0.16 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1it1 s PRO 36 CO 0.52 -2.74 0.14 0.08 0.04 0.00 0.00 177.00 175.04 1it1 s VAL 37 N 9.77 4.62 -0.73 -0.36 1.01 0.25 -4.39 120.40 130.57 1it1 s VAL 37 Ca 0.82 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1it1 s VAL 37 Cb -0.17 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1it1 s VAL 37 CO 0.26 -0.06 0.00 -3.20 0.00 0.00 0.00 175.10 172.10 1it1 n ASN 38 N -0.20 -2.48 0.00 3.32 2.85 -1.26 0.32 115.26 117.81 1it1 n ASN 38 Ca -0.08 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1it1 n ASN 38 Cb 0.54 -2.30 0.00 0.00 1.24 0.00 0.00 39.78 39.26 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 -0.46 1.68 2.93 8.20 0.00 -1.26 -5.00 105.19 111.28 1it1 n GLY 39 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.48 0.29 -0.22 1.61 -2.85 0.96 -5.01 119.74 114.05 1it1 s LYS 40 Ca 0.00 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1it1 s LYS 40 Cb 0.00 -0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.46 1it1 s LYS 40 CO 0.00 0.08 1.77 -1.21 0.10 0.00 0.00 175.35 176.09 1it1 s GLU 41 N -0.08 3.63 -0.60 1.78 2.02 -1.26 0.84 118.70 125.04 1it1 s GLU 41 Ca 0.01 1.75 -0.26 0.00 0.02 0.00 0.00 54.97 56.49 1it1 s GLU 41 Cb -0.01 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1it1 s GLU 41 CO -0.00 -1.50 1.95 -0.51 0.02 0.00 0.00 175.26 175.22 1it1 s ASP 42 N 5.22 5.13 -0.89 -0.19 1.11 -1.22 -4.82 116.67 121.02 1it1 s ASP 42 Ca 0.79 0.44 -0.07 0.00 0.18 0.00 0.00 52.55 53.89 1it1 s ASP 42 Cb -0.27 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.11 1it1 s ASP 42 CO 0.32 -2.47 3.05 -1.22 1.18 0.00 0.00 175.17 176.03 1it1 n TYR 43 N 13.29 1.57 -4.48 4.23 4.01 -1.26 -4.67 117.16 129.86 1it1 n TYR 43 Ca 0.23 -2.38 -0.23 0.00 -0.16 0.00 0.00 57.90 55.36 1it1 n TYR 43 Cb 0.52 -1.93 -0.09 0.00 -0.31 0.00 0.00 39.34 37.53 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 0.64 1.79 -0.00 -0.72 -2.07 -1.26 -5.07 119.66 112.96 1it1 s GLN 44 Ca 0.65 -2.05 -0.39 0.00 -1.82 0.00 0.00 55.36 51.75 1it1 s GLN 44 Cb 0.25 -0.69 -0.18 0.00 -1.09 0.00 0.00 33.01 31.31 1it1 s GLN 44 CO -0.07 -0.35 1.27 0.36 -1.32 0.00 0.00 175.29 175.18 1it1 n LYS 45 N -0.79 0.64 -0.33 9.60 2.85 -1.26 -4.78 118.16 124.09 1it1 n LYS 45 Ca -0.04 0.23 0.16 0.00 -1.05 0.00 0.00 58.31 57.60 1it1 n LYS 45 Cb 0.66 -1.82 0.35 0.00 -0.65 0.00 0.00 35.03 33.57 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 6.38 -0.81 0.00 0.00 -1.26 -1.79 120.51 120.63 1it1 n ALA 47 Ca 0.25 -4.22 -0.03 0.00 0.00 0.00 0.00 53.44 49.43 1it1 n ALA 47 Cb 0.70 -1.98 0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 0.27 0.00 -1.04 -0.44 -4.45 114.28 108.17 1it1 n THR 48 Ca 0.52 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.69 1it1 n THR 48 Cb 0.25 -0.17 0.62 0.00 -1.82 0.00 0.00 70.33 69.21 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 -1.94 1.01 -0.32 2.41 0.00 -1.95 -3.22 119.26 115.25 1it1 h ALA 49 Ca -0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1it1 h ALA 49 Cb 0.23 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.63 1it1 h ALA 49 CO 0.04 0.05 -1.03 0.41 0.00 0.00 0.00 179.25 178.72 1it1 n GLY 50 N 0.11 2.26 0.00 0.00 0.00 -1.26 -4.92 105.19 101.37 1it1 n GLY 50 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 1.65 -1.14 0.00 8.25 -0.74 -4.36 115.22 118.88 1it1 n HIS 52 Ca 0.00 -2.49 0.03 0.00 -0.26 0.00 0.00 57.72 55.00 1it1 n HIS 52 Cb 0.00 -2.12 0.24 0.00 1.12 0.00 0.00 29.99 29.24 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 3.42 3.55 -4.58 0.41 5.75 -1.19 -3.56 116.55 120.36 1it1 n ASP 53 Ca 0.64 -3.28 -0.42 0.00 -0.01 0.00 0.00 54.79 51.72 1it1 n ASP 53 Cb 0.36 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.02 6.45 0.00 -1.12 2.47 -1.19 -4.85 114.94 114.68 1it1 s ASN 54 Ca 0.44 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.92 1it1 s ASN 54 Cb 0.37 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1it1 s ASN 54 CO 0.07 -1.47 0.54 0.23 -3.72 0.00 0.00 177.10 172.75 1it1 n MET 55 N 8.37 0.99 0.18 0.43 2.81 -1.26 -3.61 117.12 125.02 1it1 n MET 55 Ca 0.10 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1it1 n MET 55 Cb 0.49 -1.45 0.27 0.00 -0.71 0.00 0.00 33.22 31.82 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 0.02 0.00 -0.61 7.83 3.58 -1.99 -3.46 116.42 121.78 1it1 h ASP 56 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1it1 h ASP 56 Cb 0.54 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 1it1 h ASP 56 CO 0.00 0.00 -0.19 0.29 -2.88 0.00 0.00 179.24 176.46 1it1 n LYS 57 N -2.78 -1.68 0.00 0.28 5.02 -1.24 -4.61 118.16 113.16 1it1 n LYS 57 Ca 0.04 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1it1 n LYS 57 Cb 0.48 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 1it1 n LYS 57 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1it1 n LYS 58 N -0.82 3.76 -1.43 1.97 -0.00 -1.26 -4.84 118.16 115.54 1it1 n LYS 58 Ca -0.10 0.00 -0.52 0.00 -0.00 0.00 0.00 58.31 57.69 1it1 n LYS 58 Cb 0.53 -0.62 -0.08 0.00 -0.00 0.00 0.00 35.03 34.86 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 -0.48 2.00 -1.01 -5.58 -0.08 -1.26 -4.77 116.55 105.37 1it1 n ASP 59 Ca 0.00 0.46 0.05 0.00 -1.51 0.00 0.00 54.79 53.79 1it1 n ASP 59 Cb 0.03 -1.22 0.20 0.00 2.34 0.00 0.00 41.12 42.46 1it1 n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1it1 n LYS 60 N 8.07 2.55 -0.46 -0.67 4.76 -1.26 -4.00 118.16 127.14 1it1 n LYS 60 Ca 0.42 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.29 1it1 n LYS 60 Cb 0.20 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 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 0.50 0.00 -1.42 4.39 2.88 -1.26 -4.96 113.62 113.74 1it1 n SER 61 Ca 0.14 -0.69 -0.05 0.00 -1.33 0.00 0.00 58.87 56.94 1it1 n SER 61 Cb 0.56 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.16 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 3.66 0.00 -1.46 0.00 -1.26 -3.78 120.51 114.68 1it1 n ALA 62 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1it1 n ALA 62 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.04 3.60 -2.96 0.00 0.00 -1.26 -4.74 118.16 112.76 1it1 n LYS 63 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 58.13 1it1 n LYS 63 Cb 0.92 -0.29 -0.04 0.00 0.00 0.00 0.00 35.03 35.62 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 -0.55 2.25 0.10 3.14 0.00 -1.25 -3.14 107.32 107.88 1it1 s GLY 64 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 1it1 s GLY 64 CO 0.00 1.49 1.61 -1.82 0.00 0.00 0.00 173.10 174.37 1it1 h TYR 65 N 7.20 -1.01 -0.20 1.90 3.20 -1.62 -3.08 116.97 123.36 1it1 h TYR 65 Ca -0.33 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.58 1it1 h TYR 65 Cb 1.15 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1it1 h TYR 65 CO 0.70 -0.50 -0.22 -0.92 -1.64 0.00 0.00 178.16 175.58 1it1 h TYR 66 N -0.69 -0.68 0.00 -3.82 5.03 -1.89 -2.33 116.97 112.60 1it1 h TYR 66 Ca -0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1it1 h TYR 66 Cb 0.66 0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1it1 h TYR 66 CO -0.26 -0.18 0.00 1.58 -1.32 0.00 0.00 178.16 177.98 1it1 n HIS 67 N -3.77 0.00 -0.07 -3.82 -0.00 -1.17 0.38 115.22 106.77 1it1 n HIS 67 Ca -0.01 0.00 0.23 0.00 0.46 0.00 0.00 57.72 58.40 1it1 n HIS 67 Cb 0.13 0.00 0.44 0.00 -0.12 0.00 0.00 29.99 30.44 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 -1.93 2.65 0.06 1.57 0.00 -1.53 1.06 119.26 121.14 1it1 h ALA 68 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1it1 h ALA 68 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1it1 h ALA 68 CO 0.00 -1.43 -1.98 -1.33 0.00 0.00 0.00 179.25 174.51 1it1 n MET 69 N -3.20 0.70 -0.00 0.00 2.00 0.88 -3.24 117.12 114.26 1it1 n MET 69 Ca 0.17 0.24 0.08 0.00 0.00 0.00 0.00 57.70 58.19 1it1 n MET 69 Cb 1.28 -1.70 -0.11 0.00 0.00 0.00 0.00 33.22 32.69 1it1 n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1it1 n HIS 70 N -3.26 0.00 -2.57 2.03 -0.00 0.16 0.24 115.22 111.81 1it1 n HIS 70 Ca -0.28 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.12 1it1 n HIS 70 Cb 1.05 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.99 30.83 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 -3.16 6.61 -0.09 0.41 1.11 0.34 -4.55 116.67 117.33 1it1 s ASP 71 Ca 0.00 1.44 -0.08 0.00 0.18 0.00 0.00 52.55 54.09 1it1 s ASP 71 Cb 0.11 -2.45 -0.05 0.00 1.07 0.00 0.00 42.92 41.61 1it1 s ASP 71 CO 0.67 -0.51 -0.18 1.17 1.18 0.00 0.00 175.17 177.51 1it1 n LYS 72 N -1.41 0.28 -0.62 8.23 4.81 -1.26 -3.10 118.16 125.08 1it1 n LYS 72 Ca 0.05 0.12 -0.18 0.00 -0.87 0.00 0.00 58.31 57.43 1it1 n LYS 72 Cb 0.54 -0.98 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 1it1 n LYS 72 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1it1 n GLY 73 N 2.30 2.85 3.90 3.14 0.00 -1.26 -4.56 105.19 111.57 1it1 n GLY 73 Ca -0.18 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 3.54 4.47 0.39 2.61 -4.23 -1.26 -4.96 115.64 116.20 1it1 s THR 74 Ca 0.34 -1.20 0.26 0.00 -1.18 0.00 0.00 61.69 59.90 1it1 s THR 74 Cb 0.09 -3.51 0.41 0.00 1.34 0.00 0.00 72.50 70.83 1it1 s THR 74 CO -0.03 -0.28 1.49 1.17 -0.54 0.00 0.00 174.62 176.44 1it1 n LYS 75 N -1.36 -0.05 -4.40 3.99 3.00 -1.26 -4.50 118.16 113.58 1it1 n LYS 75 Ca -0.06 1.25 -0.22 0.00 -0.00 0.00 0.00 58.31 59.29 1it1 n LYS 75 Cb 0.58 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 33.17 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 -5.30 1.71 -0.30 5.64 0.08 -1.26 -5.08 117.98 113.46 1it1 s PHE 76 Ca -0.08 -1.37 -0.29 0.00 0.12 0.00 0.00 56.93 55.31 1it1 s PHE 76 Cb 0.31 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1it1 s PHE 76 CO 0.76 -0.47 1.52 -1.59 -0.10 0.00 0.00 175.22 175.34 1it1 s LYS 77 N -3.72 3.70 0.81 0.44 -2.85 -1.26 -4.92 119.74 111.94 1it1 s LYS 77 Ca 0.32 1.34 -0.14 0.00 -1.00 0.00 0.00 55.97 56.50 1it1 s LYS 77 Cb 0.04 -4.02 0.19 0.00 -2.06 0.00 0.00 37.83 31.97 1it1 s LYS 77 CO 0.18 -1.41 1.08 -1.13 0.10 0.00 0.00 175.35 174.17 1it1 n SER 78 N 8.63 -0.01 0.00 0.03 3.41 -1.26 -4.58 113.62 119.84 1it1 n SER 78 Ca 0.18 -1.38 -0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1it1 n SER 78 Cb 0.46 -0.83 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 -0.00 0.49 -0.06 0.00 2.07 -0.48 0.53 116.25 118.79 1it1 h VAL 80 Ca -0.00 -0.52 -0.20 0.00 0.82 0.00 0.00 66.70 66.81 1it1 h VAL 80 Cb 0.00 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1it1 h VAL 80 CO 0.00 0.10 -0.72 1.23 0.02 0.00 0.00 177.57 178.20 1it1 h GLY 81 N 0.93 0.67 2.00 2.17 0.00 -1.47 -0.23 103.07 107.14 1it1 h GLY 81 Ca -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.24 1it1 h GLY 81 CO 0.01 0.93 -0.20 0.00 0.00 0.00 0.00 176.54 177.29 1it1 h HIS 83 N 0.00 -0.26 -0.91 0.00 3.86 0.13 0.75 115.15 118.72 1it1 h HIS 83 Ca -0.00 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.46 1it1 h HIS 83 Cb 1.13 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.65 1it1 h HIS 83 CO 0.00 -0.06 0.65 1.25 0.86 0.00 0.00 177.93 180.63 1it1 h LEU 84 N -1.05 0.03 0.03 2.43 6.46 -1.14 0.24 115.31 122.31 1it1 h LEU 84 Ca -0.03 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1it1 h LEU 84 Cb 0.31 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1it1 h LEU 84 CO 0.05 0.01 -0.83 -0.33 -0.62 0.00 0.00 178.44 176.72 1it1 h GLU 85 N 0.03 0.06 0.00 1.25 4.39 -1.53 -3.29 114.58 115.49 1it1 h GLU 85 Ca 0.44 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1it1 h GLU 85 Cb 1.71 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1it1 h GLU 85 CO -0.02 1.05 0.00 2.41 -1.16 0.00 0.00 179.01 181.29 1it1 n THR 86 N -4.38 1.42 0.09 1.13 -1.04 0.26 -1.41 114.28 110.36 1it1 n THR 86 Ca -0.22 0.56 -0.17 0.00 -2.04 0.00 0.00 64.05 62.17 1it1 n THR 86 Cb 0.66 -1.53 -0.14 0.00 -1.82 0.00 0.00 70.33 67.50 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 2.06 0.14 -5.23 2.41 0.00 -0.64 -3.49 119.26 114.51 1it1 h ALA 87 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1it1 h ALA 87 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1it1 h ALA 87 CO 0.00 1.01 -0.00 0.41 0.00 0.00 0.00 179.25 180.67 1it1 n GLY 88 N 1.61 -1.18 4.07 0.00 0.00 -0.50 -3.47 105.19 105.71 1it1 n GLY 88 Ca -0.13 0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.71 -2.51 -3.67 4.61 0.00 -1.26 -4.90 120.51 111.07 1it1 n ALA 89 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1it1 n ALA 89 Cb 0.50 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.49 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 -3.62 3.42 0.50 0.00 -1.08 -1.23 -4.96 116.67 109.71 1it1 s ASP 90 Ca 0.45 -2.80 0.43 0.00 -0.52 0.00 0.00 52.55 50.12 1it1 s ASP 90 Cb -0.25 -0.97 1.48 0.00 -1.46 0.00 0.00 42.92 41.72 1it1 s ASP 90 CO 0.91 -0.24 1.37 0.00 0.52 0.00 0.00 175.17 177.73 1it1 n ALA 91 N 3.30 1.62 -0.03 3.66 0.00 -1.26 0.24 120.51 128.04 1it1 n ALA 91 Ca 0.13 0.56 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 1it1 n ALA 91 Cb 0.37 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 0.85 0.07 0.00 0.00 0.00 -1.96 -1.64 119.26 116.57 1it1 h ALA 92 Ca 0.80 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1it1 h ALA 92 Cb 3.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 21.10 1it1 h ALA 92 CO -0.01 0.09 -0.46 0.87 0.00 0.00 0.00 179.25 179.75 1it1 h LYS 93 N -0.36 0.00 0.00 0.00 1.57 0.27 -2.62 116.57 115.43 1it1 h LYS 93 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1it1 h LYS 93 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1it1 h LYS 93 CO 0.05 0.46 -0.62 0.87 -0.57 0.00 0.00 179.45 179.64 1it1 h LYS 94 N 0.00 0.00 0.00 3.15 1.57 0.16 0.51 116.57 121.95 1it1 h LYS 94 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1it1 h LYS 94 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1it1 h LYS 94 CO 0.06 0.62 -0.56 1.57 -0.57 0.00 0.00 179.45 180.56 1it1 h LYS 95 N 0.00 0.00 0.04 3.15 5.09 -1.17 2.16 116.57 125.84 1it1 h LYS 95 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.38 1it1 h LYS 95 Cb 1.16 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.45 1it1 h LYS 95 CO 0.08 0.18 -2.01 -0.85 -2.09 0.00 0.00 179.45 174.76 1it1 n GLU 96 N -3.01 0.66 -0.01 0.07 0.28 -1.00 -2.79 120.64 114.84 1it1 n GLU 96 Ca 0.01 0.32 -0.01 0.00 -0.16 0.00 0.00 57.16 57.32 1it1 n GLU 96 Cb 0.63 -1.64 -0.00 0.00 1.43 0.00 0.00 31.44 31.86 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 -0.41 -0.03 0.00 -1.84 3.38 -0.12 0.44 115.31 116.72 1it1 h LEU 97 Ca -0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1it1 h LEU 97 Cb 1.74 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1it1 h LEU 97 CO -0.12 0.29 -1.19 0.35 0.09 0.00 0.00 178.44 177.85 1it1 n THR 98 N -3.84 0.86 -1.60 0.22 -2.24 -0.88 -4.65 114.28 102.15 1it1 n THR 98 Ca -0.01 -0.61 -0.55 0.00 -2.27 0.00 0.00 64.05 60.61 1it1 n THR 98 Cb 0.02 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 67.67 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 1.27 0.35 0.05 3.38 0.00 0.72 -4.87 105.19 106.10 1it1 n GLY 99 Ca -0.04 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.57 3.94 0.00 0.00 1.02 -1.26 -4.03 119.74 117.85 1it1 s LYS 101 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1it1 s LYS 101 Cb 0.00 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1it1 s LYS 101 CO 0.03 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1it1 n GLY 102 N 4.91 0.34 0.00 -3.33 0.00 -1.25 -5.07 105.19 100.79 1it1 n GLY 102 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.05 1.61 3.41 -1.12 -4.76 113.62 112.72 1it1 n SER 103 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1it1 n SER 103 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.74 0.16 4.33 4.76 0.15 -4.30 118.16 124.01 1it1 n LYS 104 Ca 0.00 -0.11 0.05 0.00 -2.87 0.00 0.00 58.31 55.38 1it1 n LYS 104 Cb 0.00 -1.49 0.10 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 -3.21 2.69 1.00 0.00 8.25 -1.26 -4.46 115.22 118.23 1it1 n HIS 106 Ca 0.02 -4.09 0.12 0.00 -0.26 0.00 0.00 57.72 53.51 1it1 n HIS 106 Cb 0.66 -0.49 0.10 0.00 1.12 0.00 0.00 29.99 31.38 1it1 n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43