#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 -0.90 0.00 0.04 -1.26 -4.98 135.00 132.44 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 -3.22 0.23 0.00 0.04 0.00 0.00 34.50 31.55 1it1 s PRO 2 CO 0.00 0.01 0.84 0.15 0.04 0.00 0.00 177.00 178.05 1it1 s LYS 3 N -0.70 3.72 0.16 4.56 1.02 -1.26 -5.03 119.74 122.21 1it1 s LYS 3 Ca 0.50 -2.68 -0.30 0.00 0.02 0.00 0.00 55.97 53.51 1it1 s LYS 3 Cb -0.33 -4.43 -0.17 0.00 -0.52 0.00 0.00 37.83 32.38 1it1 s LYS 3 CO 0.39 -1.27 0.62 0.00 -0.92 0.00 0.00 175.35 174.16 1it1 n ALA 4 N 3.59 -3.00 -1.67 5.17 0.00 -1.26 -4.89 120.51 118.45 1it1 n ALA 4 Ca 0.16 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 1it1 n ALA 4 Cb 0.44 -1.62 0.04 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 -0.80 3.05 0.58 0.00 0.04 -1.26 -4.99 135.00 131.61 1it1 s PRO 5 Ca 0.68 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 1it1 s PRO 5 Cb -0.98 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1it1 s PRO 5 CO 0.56 -0.99 1.32 0.00 0.04 0.00 0.00 177.00 177.93 1it1 n ALA 6 N -3.04 1.39 -0.40 8.56 0.00 -1.26 -4.71 120.51 121.04 1it1 n ALA 6 Ca 0.07 0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.34 1it1 n ALA 6 Cb 0.54 -2.34 0.23 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.27 -3.33 0.00 0.00 8.00 -1.26 -3.92 116.55 114.77 1it1 n ASP 7 Ca 0.12 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1it1 n ASP 7 Cb 0.46 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 2.02 0.47 3.67 0.44 0.00 -1.03 -4.88 105.19 105.87 1it1 n GLY 8 Ca 0.08 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 4.42 -0.39 0.99 0.20 -0.00 -4.59 118.68 119.31 1it1 s LEU 9 Ca 0.00 2.65 -0.16 0.00 0.69 0.00 0.00 54.13 57.31 1it1 s LEU 9 Cb 0.00 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.23 1it1 s LEU 9 CO 0.00 -1.03 0.37 -0.54 -0.29 0.00 0.00 176.35 174.86 1it1 s LYS 10 N 4.14 3.26 -0.57 1.98 1.02 -1.25 0.36 119.74 128.67 1it1 s LYS 10 Ca 0.86 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 1it1 s LYS 10 Cb -0.42 -3.90 0.05 0.00 -0.52 0.00 0.00 37.83 33.03 1it1 s LYS 10 CO 0.40 -0.69 0.91 0.00 -0.92 0.00 0.00 175.35 175.05 1it1 s MET 11 N 1.98 3.26 -0.16 1.68 0.23 0.77 -4.82 119.30 122.24 1it1 s MET 11 Ca 0.10 -0.45 0.16 0.00 -1.03 0.00 0.00 55.69 54.47 1it1 s MET 11 Cb -0.17 -4.09 0.55 0.00 -1.53 0.00 0.00 34.83 29.58 1it1 s MET 11 CO 0.12 -1.53 1.45 -0.40 -2.03 0.00 0.00 175.02 172.64 1it1 n ASP 12 N 7.39 4.05 -0.18 -1.18 5.68 -1.26 -0.36 116.55 130.69 1it1 n ASP 12 Ca -0.00 -2.87 0.29 0.00 -0.50 0.00 0.00 54.79 51.71 1it1 n ASP 12 Cb 0.47 -0.53 0.72 0.00 -1.14 0.00 0.00 41.12 40.64 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 2.21 0.00 0.00 0.11 1.79 -1.91 -3.42 116.57 115.35 1it1 h LYS 13 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 1it1 h LYS 13 Cb 1.43 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.99 1it1 h LYS 13 CO 0.23 0.00 -0.40 0.25 -1.08 0.00 0.00 179.45 178.45 1it1 n THR 14 N -4.07 0.00 0.26 -0.16 -2.24 -1.26 -5.00 114.28 101.81 1it1 n THR 14 Ca 0.19 -2.30 0.14 0.00 -2.27 0.00 0.00 64.05 59.81 1it1 n THR 14 Cb 1.03 0.30 0.72 0.00 -2.10 0.00 0.00 70.33 70.28 1it1 n THR 14 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1it1 h LYS 15 N 0.00 0.00 -3.55 -0.78 6.56 -1.97 -3.31 116.57 113.52 1it1 h LYS 15 Ca -0.39 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.43 1it1 h LYS 15 Cb 1.26 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.62 1it1 h LYS 15 CO 0.64 0.11 0.17 -0.65 -2.06 0.00 0.00 179.45 177.66 1it1 s GLN 16 N -4.03 3.71 0.31 3.15 -0.21 -1.26 -5.04 119.66 116.28 1it1 s GLN 16 Ca -0.02 -3.04 -0.29 0.00 0.02 0.00 0.00 55.36 52.03 1it1 s GLN 16 Cb 0.12 -4.30 -0.10 0.00 1.00 0.00 0.00 33.01 29.73 1it1 s GLN 16 CO 0.57 -1.25 1.31 -1.25 -2.12 0.00 0.00 175.29 172.55 1it1 s PRO 17 N -0.93 4.36 0.19 2.91 0.04 -1.25 -4.89 135.00 135.44 1it1 s PRO 17 Ca 0.26 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.59 1it1 s PRO 17 Cb -0.10 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1it1 s PRO 17 CO -0.09 -0.20 -0.19 0.08 0.04 0.00 0.00 177.00 176.64 1it1 s VAL 18 N -0.89 1.98 -0.30 -0.36 1.01 0.52 -4.80 120.40 117.56 1it1 s VAL 18 Ca 0.51 -2.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.34 1it1 s VAL 18 Cb -0.39 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1it1 s VAL 18 CO 0.50 -0.35 0.11 -0.69 0.00 0.00 0.00 175.10 174.67 1it1 s VAL 19 N -2.24 4.26 -0.26 2.92 1.01 -1.25 0.27 120.40 125.11 1it1 s VAL 19 Ca 0.20 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1it1 s VAL 19 Cb -0.05 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1it1 s VAL 19 CO 0.08 0.09 0.34 0.12 0.00 0.00 0.00 175.10 175.73 1it1 s PHE 20 N 1.56 3.26 -0.71 5.22 5.36 1.11 -4.77 117.98 129.00 1it1 s PHE 20 Ca 0.04 0.38 -0.16 0.00 -0.96 0.00 0.00 56.93 56.22 1it1 s PHE 20 Cb -0.17 -2.52 0.16 0.00 -0.34 0.00 0.00 43.02 40.15 1it1 s PHE 20 CO 0.04 -0.18 0.72 -0.80 -1.46 0.00 0.00 175.22 173.54 1it1 s ASN 21 N 1.57 6.47 0.60 6.13 -0.87 -1.26 -0.82 114.94 126.76 1it1 s ASN 21 Ca 0.14 -2.11 0.28 0.00 -1.57 0.00 0.00 52.86 49.60 1it1 s ASN 21 Cb -0.16 -2.25 1.33 0.00 -0.02 0.00 0.00 41.25 40.16 1it1 s ASN 21 CO 0.10 -0.82 1.74 0.45 -2.57 0.00 0.00 177.10 175.99 1it1 h HIS 22 N 8.50 0.00 -0.94 2.20 3.86 -1.84 0.43 115.15 127.35 1it1 h HIS 22 Ca -0.08 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1it1 h HIS 22 Cb 1.06 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.47 1it1 h HIS 22 CO 0.93 0.00 0.61 1.03 0.86 0.00 0.00 177.93 181.36 1it1 h SER 23 N 0.00 0.97 0.09 2.45 0.87 -1.90 1.09 113.55 117.12 1it1 h SER 23 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1it1 h SER 23 Cb 1.59 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1it1 h SER 23 CO -0.00 0.63 -0.01 0.41 -0.53 0.00 0.00 176.83 177.33 1it1 n THR 24 N -4.48 0.00 -0.01 2.23 -1.04 0.15 -3.47 114.28 107.66 1it1 n THR 24 Ca 0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1it1 n THR 24 Cb 0.17 -0.35 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 -0.89 0.00 -0.03 -1.42 8.25 0.66 -4.65 115.22 117.14 1it1 n HIS 25 Ca 0.22 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.92 1it1 n HIS 25 Cb 0.17 0.00 0.71 0.00 1.12 0.00 0.00 29.99 31.99 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 0.10 1.93 116.57 119.76 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1it1 h LYS 26 CO 0.00 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.63 1it1 n ALA 27 N -2.47 3.01 -1.94 3.86 0.00 -1.26 -4.87 120.51 116.84 1it1 n ALA 27 Ca 0.13 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1it1 n ALA 27 Cb 0.82 -1.25 0.17 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.76 2.02 -0.54 0.00 1.01 0.66 -4.98 120.40 115.81 1it1 s VAL 28 Ca 0.19 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 1it1 s VAL 28 Cb 0.19 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1it1 s VAL 28 CO 0.57 0.00 0.78 -0.54 0.00 0.00 0.00 175.10 175.91 1it1 s LYS 29 N -5.75 3.20 0.61 2.72 3.01 -1.26 -4.86 119.74 117.41 1it1 s LYS 29 Ca 0.72 -0.65 0.25 0.00 -1.01 0.00 0.00 55.97 55.28 1it1 s LYS 29 Cb -0.04 -4.09 1.09 0.00 -1.01 0.00 0.00 37.83 33.77 1it1 s LYS 29 CO 0.51 -1.38 1.54 0.00 0.51 0.00 0.00 175.35 176.54 1it1 n GLY 31 N -1.57 -1.42 0.09 0.00 0.00 -1.26 -1.46 105.19 99.57 1it1 n GLY 31 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1it1 n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1it1 h ASP 32 N 0.00 0.25 0.00 1.61 1.82 0.53 -0.63 116.42 120.00 1it1 h ASP 32 Ca 0.00 -0.25 -0.12 0.00 -0.39 0.00 0.00 57.03 56.27 1it1 h ASP 32 Cb 0.70 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 1it1 h ASP 32 CO 0.00 1.17 -0.96 0.00 -1.61 0.00 0.00 179.24 177.84 1it1 n HIS 34 N -4.51 1.76 -0.64 0.00 8.25 -0.54 -5.00 115.22 114.55 1it1 n HIS 34 Ca -0.20 -2.10 -0.22 0.00 -0.26 0.00 0.00 57.72 54.94 1it1 n HIS 34 Cb 0.48 -1.08 0.02 0.00 1.12 0.00 0.00 29.99 30.53 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 0.27 -2.73 -1.82 4.41 1.44 -0.24 -3.37 115.22 113.18 1it1 n HIS 35 Ca 0.37 0.06 -0.38 0.00 -2.01 0.00 0.00 57.72 55.76 1it1 n HIS 35 Cb 0.58 -0.90 -0.03 0.00 0.12 0.00 0.00 29.99 29.76 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 -1.02 2.41 0.20 -1.40 0.04 -1.26 -3.48 135.00 130.50 1it1 s PRO 36 Ca 0.27 1.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 1it1 s PRO 36 Cb -0.16 -4.47 -0.07 0.00 0.04 0.00 0.00 34.50 29.84 1it1 s PRO 36 CO 0.47 -2.95 0.50 0.08 0.04 0.00 0.00 177.00 175.14 1it1 s VAL 37 N 10.41 4.99 0.00 -0.36 1.01 0.77 -4.54 120.40 132.67 1it1 s VAL 37 Ca 0.81 0.37 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1it1 s VAL 37 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1it1 s VAL 37 CO 0.23 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 172.10 1it1 n ASN 38 N -0.05 0.00 0.00 3.32 2.85 -1.26 0.38 115.26 120.50 1it1 n ASN 38 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1it1 n ASN 38 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 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 -1.11 3.55 8.20 0.00 -1.26 -5.11 105.19 109.46 1it1 n GLY 39 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.40 -0.36 1.61 -2.85 0.16 -5.06 119.74 114.65 1it1 s LYS 40 Ca 0.00 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.07 1it1 s LYS 40 Cb 0.00 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.36 1it1 s LYS 40 CO 0.00 -0.62 1.34 -1.21 0.10 0.00 0.00 175.35 174.96 1it1 s GLU 41 N -3.76 3.76 -0.51 1.78 2.02 -1.26 0.27 118.70 121.01 1it1 s GLU 41 Ca 0.04 1.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.84 1it1 s GLU 41 Cb -0.02 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 1it1 s GLU 41 CO -0.07 -1.32 1.94 -0.51 0.02 0.00 0.00 175.26 175.32 1it1 s ASP 42 N 3.25 5.31 -1.20 -0.19 1.11 -1.22 -4.83 116.67 118.90 1it1 s ASP 42 Ca 0.58 0.74 -0.08 0.00 0.18 0.00 0.00 52.55 53.97 1it1 s ASP 42 Cb -0.15 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.23 1it1 s ASP 42 CO 0.28 -2.27 3.00 -1.22 1.18 0.00 0.00 175.17 176.14 1it1 n TYR 43 N 12.58 1.92 -4.40 4.23 4.01 -1.26 -4.73 117.16 129.51 1it1 n TYR 43 Ca 0.24 -2.68 -0.21 0.00 -0.16 0.00 0.00 57.90 55.09 1it1 n TYR 43 Cb 0.51 -2.16 -0.09 0.00 -0.31 0.00 0.00 39.34 37.29 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 1.24 1.72 0.16 -0.72 -2.07 -1.26 -5.04 119.66 113.67 1it1 s GLN 44 Ca 0.66 -2.00 -0.32 0.00 -1.82 0.00 0.00 55.36 51.88 1it1 s GLN 44 Cb 0.22 -0.32 -0.17 0.00 -1.09 0.00 0.00 33.01 31.65 1it1 s GLN 44 CO -0.06 -0.44 0.88 0.36 -1.32 0.00 0.00 175.29 174.71 1it1 n LYS 45 N -0.70 0.47 -0.33 9.60 2.85 -1.26 -4.79 118.16 124.00 1it1 n LYS 45 Ca -0.01 0.17 0.10 0.00 -1.05 0.00 0.00 58.31 57.51 1it1 n LYS 45 Cb 0.65 -1.46 0.30 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 -2.38 6.43 -0.96 0.00 0.00 -1.26 -0.59 120.51 121.75 1it1 n ALA 47 Ca 0.19 -4.03 -0.01 0.00 0.00 0.00 0.00 53.44 49.60 1it1 n ALA 47 Cb 0.43 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.60 0.00 0.72 0.00 -1.04 -0.72 -4.36 114.28 108.29 1it1 n THR 48 Ca 0.55 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.65 1it1 n THR 48 Cb 0.32 -0.04 0.43 0.00 -1.82 0.00 0.00 70.33 69.23 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 -1.57 1.92 -1.93 2.41 0.00 -1.26 -3.15 120.51 116.93 1it1 n ALA 49 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1it1 n ALA 49 Cb 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.47 0.38 0.00 0.00 0.00 -1.26 -4.96 105.19 99.81 1it1 n GLY 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.61 -1.05 0.00 8.25 0.24 -4.46 115.22 119.81 1it1 n HIS 52 Ca 0.00 -2.50 -0.05 0.00 -0.26 0.00 0.00 57.72 54.91 1it1 n HIS 52 Cb 0.00 -2.14 0.31 0.00 1.12 0.00 0.00 29.99 29.29 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 3.33 4.89 -4.59 0.41 2.03 -1.20 -3.42 116.55 118.00 1it1 n ASP 53 Ca 0.64 -3.22 -0.43 0.00 0.52 0.00 0.00 54.79 52.31 1it1 n ASP 53 Cb 0.41 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.05 6.50 0.00 1.67 2.47 -1.11 -4.85 114.94 118.58 1it1 s ASN 54 Ca 0.55 0.27 0.00 0.00 0.42 0.00 0.00 52.86 54.11 1it1 s ASN 54 Cb 0.44 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 1it1 s ASN 54 CO 0.14 -1.40 0.83 0.23 -3.72 0.00 0.00 177.10 173.17 1it1 n MET 55 N 8.22 0.99 0.17 0.43 2.81 -1.26 -3.26 117.12 125.21 1it1 n MET 55 Ca 0.10 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.12 1it1 n MET 55 Cb 0.49 -1.16 0.29 0.00 -0.71 0.00 0.00 33.22 32.13 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 0.00 0.00 -1.27 7.83 1.82 -1.99 -3.46 116.42 119.35 1it1 h ASP 56 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 1it1 h ASP 56 Cb 0.16 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.08 1it1 h ASP 56 CO 0.00 0.00 -0.20 0.29 -1.61 0.00 0.00 179.24 177.72 1it1 n LYS 57 N -2.72 -1.34 0.00 0.28 5.02 -1.22 -4.60 118.16 113.58 1it1 n LYS 57 Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1it1 n LYS 57 Cb 0.48 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 1it1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1it1 n LYS 58 N -1.55 0.03 -2.43 1.97 5.02 -1.26 -4.87 118.16 115.07 1it1 n LYS 58 Ca -0.11 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 1it1 n LYS 58 Cb 0.38 -0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.79 1it1 n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1it1 s ASP 59 N -0.05 6.20 0.00 4.39 -1.08 -1.26 -4.83 116.67 120.04 1it1 s ASP 59 Ca 0.00 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 52.45 1it1 s ASP 59 Cb 0.00 -2.55 0.95 0.00 -1.46 0.00 0.00 42.92 39.87 1it1 s ASP 59 CO 0.00 -1.66 1.54 0.29 0.52 0.00 0.00 175.17 175.86 1it1 n LYS 60 N 8.61 0.90 0.00 4.34 4.01 -1.26 -4.25 118.16 130.50 1it1 n LYS 60 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1it1 n LYS 60 Cb 0.49 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1it1 n LYS 60 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1it1 n SER 61 N -0.78 -0.00 -2.21 4.39 7.64 -1.26 -4.95 113.62 116.46 1it1 n SER 61 Ca 0.12 -0.31 -0.23 0.00 1.01 0.00 0.00 58.87 59.47 1it1 n SER 61 Cb 0.05 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.44 1it1 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1it1 n ALA 62 N -3.00 5.54 -0.60 -0.43 0.00 -1.26 -4.16 120.51 116.60 1it1 n ALA 62 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1it1 n ALA 62 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1it1 n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1it1 n LYS 63 N -1.09 0.03 -2.79 0.00 3.00 -1.26 -4.78 118.16 111.27 1it1 n LYS 63 Ca 0.59 -0.39 -0.31 0.00 -0.00 0.00 0.00 58.31 58.19 1it1 n LYS 63 Cb 1.66 -0.70 -0.04 0.00 0.00 0.00 0.00 35.03 35.95 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 -0.11 2.05 0.03 3.14 0.00 -1.26 -2.76 107.32 108.40 1it1 s GLY 64 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 44.72 44.84 1it1 s GLY 64 CO 0.00 0.16 0.71 2.98 0.00 0.00 0.00 173.10 176.95 1it1 n TYR 65 N -1.19 0.78 1.06 1.90 9.36 -1.20 -4.04 117.16 123.83 1it1 n TYR 65 Ca 0.04 0.26 0.12 0.00 3.32 0.00 0.00 57.90 61.63 1it1 n TYR 65 Cb 0.54 -1.02 0.09 0.00 -0.63 0.00 0.00 39.34 38.32 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 -2.80 0.00 -0.00 2.98 4.19 -1.26 -4.22 117.16 116.04 1it1 n TYR 66 Ca -0.11 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.09 1it1 n TYR 66 Cb 0.84 -0.03 -0.00 0.00 0.49 0.00 0.00 39.34 40.64 1it1 n TYR 66 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1it1 h HIS 67 N 2.12 0.00 0.00 2.98 2.76 -1.80 -3.00 115.15 118.21 1it1 h HIS 67 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1it1 h HIS 67 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1it1 h HIS 67 CO 0.00 0.00 0.46 0.00 -1.30 0.00 0.00 177.93 177.09 1it1 h ALA 68 N -1.92 1.41 0.06 5.26 0.00 -1.81 0.94 119.26 123.20 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 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1it1 h ALA 68 CO 0.00 -0.41 -1.84 -1.33 0.00 0.00 0.00 179.25 175.67 1it1 n MET 69 N -2.48 0.67 0.02 0.00 2.81 -1.26 -3.31 117.12 113.57 1it1 n MET 69 Ca -0.01 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.35 1it1 n MET 69 Cb 0.49 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 31.20 1it1 n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1it1 n HIS 70 N -3.83 0.25 -2.78 2.03 -0.00 -0.55 0.11 115.22 110.45 1it1 n HIS 70 Ca -0.35 0.07 -0.42 0.00 -0.00 0.00 0.00 57.72 57.02 1it1 n HIS 70 Cb 0.91 -0.56 -0.03 0.00 -0.00 0.00 0.00 29.99 30.31 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 -4.52 7.04 -0.14 0.41 1.11 0.31 -4.54 116.67 116.35 1it1 s ASP 71 Ca -0.04 1.29 -0.20 0.00 0.18 0.00 0.00 52.55 53.78 1it1 s ASP 71 Cb 0.13 -2.50 -0.18 0.00 1.07 0.00 0.00 42.92 41.44 1it1 s ASP 71 CO 0.87 -0.50 0.47 0.11 1.18 0.00 0.00 175.17 177.29 1it1 h LYS 72 N 7.37 0.00 -3.71 8.23 1.57 -1.89 -3.37 116.57 124.76 1it1 h LYS 72 Ca -0.26 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.28 1it1 h LYS 72 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1it1 h LYS 72 CO 0.89 0.72 1.95 0.41 -0.57 0.00 0.00 179.45 182.85 1it1 n GLY 73 N 1.62 2.49 3.75 3.86 0.00 -1.26 -4.51 105.19 111.14 1it1 n GLY 73 Ca -0.11 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 4.13 3.56 0.35 2.61 -4.23 -1.26 -4.98 115.64 115.83 1it1 s THR 74 Ca 0.25 -1.63 0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1it1 s THR 74 Cb 0.06 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 71.17 1it1 s THR 74 CO -0.01 -0.27 1.51 1.17 -0.54 0.00 0.00 174.62 176.48 1it1 n LYS 75 N -1.13 -0.06 -4.52 3.99 3.00 -1.26 -4.53 118.16 113.66 1it1 n LYS 75 Ca -0.05 1.33 -0.26 0.00 -0.00 0.00 0.00 58.31 59.33 1it1 n LYS 75 Cb 0.60 -2.37 -0.08 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 -5.49 1.79 -0.26 5.64 0.08 -1.26 -5.08 117.98 113.40 1it1 s PHE 76 Ca -0.09 -1.29 -0.29 0.00 0.12 0.00 0.00 56.93 55.38 1it1 s PHE 76 Cb 0.32 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 1it1 s PHE 76 CO 0.75 -0.30 1.52 -1.59 -0.10 0.00 0.00 175.22 175.50 1it1 s LYS 77 N -3.70 3.78 0.92 0.44 -2.85 -1.26 -4.92 119.74 112.15 1it1 s LYS 77 Ca 0.23 1.48 -0.14 0.00 -1.00 0.00 0.00 55.97 56.53 1it1 s LYS 77 Cb 0.02 -4.00 0.16 0.00 -2.06 0.00 0.00 37.83 31.95 1it1 s LYS 77 CO 0.14 -1.30 1.24 -1.54 0.10 0.00 0.00 175.35 174.00 1it1 s SER 78 N 3.92 3.51 0.04 0.03 1.04 -1.26 -4.58 113.70 116.40 1it1 s SER 78 Ca 0.67 0.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 1it1 s SER 78 Cb -0.22 -0.79 -0.09 0.00 0.10 0.00 0.00 66.02 65.02 1it1 s SER 78 CO 0.28 -2.51 1.26 0.00 0.98 0.00 0.00 173.24 173.26 1it1 h VAL 80 N -0.55 1.19 -0.38 0.00 2.07 0.56 0.26 116.25 119.41 1it1 h VAL 80 Ca -0.04 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.10 1it1 h VAL 80 Cb 0.45 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1it1 h VAL 80 CO 0.03 0.35 -0.23 1.23 0.02 0.00 0.00 177.57 178.96 1it1 h GLY 81 N 1.18 0.91 2.00 2.17 0.00 -1.59 0.12 103.07 107.86 1it1 h GLY 81 Ca -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 1it1 h GLY 81 CO 0.05 0.77 -0.13 0.00 0.00 0.00 0.00 176.54 177.22 1it1 h HIS 83 N 0.00 -0.13 -0.35 0.00 3.86 -0.15 0.10 115.15 118.48 1it1 h HIS 83 Ca -0.00 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1it1 h HIS 83 Cb 1.10 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1it1 h HIS 83 CO 0.00 0.29 0.33 1.25 0.86 0.00 0.00 177.93 180.67 1it1 h LEU 84 N -0.95 0.00 0.10 2.43 6.46 -0.87 -0.10 115.31 122.38 1it1 h LEU 84 Ca -0.01 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 1it1 h LEU 84 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1it1 h LEU 84 CO 0.02 0.00 -1.02 -0.33 -0.62 0.00 0.00 178.44 176.49 1it1 h GLU 85 N 0.00 0.21 0.00 1.25 5.08 -1.53 -2.27 114.58 117.32 1it1 h GLU 85 Ca 0.17 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1it1 h GLU 85 Cb 0.83 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1it1 h GLU 85 CO -0.00 1.17 0.00 2.41 -1.00 0.00 0.00 179.01 181.59 1it1 n THR 86 N -4.13 1.00 -1.77 1.13 -1.04 0.35 -2.03 114.28 107.80 1it1 n THR 86 Ca -0.20 0.25 0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1it1 n THR 86 Cb 0.80 -1.08 0.09 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.38 2.57 0.75 2.41 0.00 -0.16 -4.76 120.51 119.95 1it1 n ALA 87 Ca 0.04 -2.33 0.08 0.00 0.00 0.00 0.00 53.44 51.23 1it1 n ALA 87 Cb 0.09 -0.49 0.40 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.55 -0.79 0.00 0.00 0.00 -0.85 -2.58 105.19 100.42 1it1 n GLY 88 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.27 1.27 -3.67 4.61 0.00 -1.26 -4.92 120.51 115.26 1it1 n ALA 89 Ca 0.08 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 1it1 n ALA 89 Cb 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 3.32 0.59 0.00 -1.08 -1.06 -4.95 116.67 113.31 1it1 s ASP 90 Ca 0.00 -3.28 0.25 0.00 -0.52 0.00 0.00 52.55 49.00 1it1 s ASP 90 Cb 0.00 -1.06 0.87 0.00 -1.46 0.00 0.00 42.92 41.27 1it1 s ASP 90 CO 0.00 -0.16 1.25 0.00 0.52 0.00 0.00 175.17 176.78 1it1 n ALA 91 N 2.65 0.96 0.12 3.66 0.00 -1.26 0.26 120.51 126.90 1it1 n ALA 91 Ca 0.21 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.74 1it1 n ALA 91 Cb 0.40 -0.57 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 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 0.50 -0.10 0.00 0.00 0.00 -1.92 -3.03 119.26 114.71 1it1 h ALA 92 Ca 0.47 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1it1 h ALA 92 Cb 2.84 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 20.77 1it1 h ALA 92 CO -0.00 0.67 -0.10 0.87 0.00 0.00 0.00 179.25 180.68 1it1 h LYS 93 N 0.18 0.00 -0.03 0.00 1.57 0.33 -2.43 116.57 116.19 1it1 h LYS 93 Ca -0.22 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 1it1 h LYS 93 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.34 1it1 h LYS 93 CO 0.26 0.10 -0.80 -0.22 -0.57 0.00 0.00 179.45 178.22 1it1 h LYS 94 N 0.00 0.29 0.00 3.15 3.64 -1.13 0.53 116.57 123.04 1it1 h LYS 94 Ca -0.00 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1it1 h LYS 94 Cb 0.52 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1it1 h LYS 94 CO 0.01 0.95 -0.10 1.57 -2.27 0.00 0.00 179.45 179.61 1it1 h LYS 95 N 0.18 0.00 0.06 1.90 5.09 -1.33 0.70 116.57 123.17 1it1 h LYS 95 Ca -0.04 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.33 1it1 h LYS 95 Cb 1.40 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.68 1it1 h LYS 95 CO 0.13 0.10 -2.14 -0.85 -2.09 0.00 0.00 179.45 174.60 1it1 n GLU 96 N -3.13 0.69 0.00 0.07 0.28 -0.96 -2.98 120.64 114.61 1it1 n GLU 96 Ca 0.03 0.25 -0.01 0.00 -0.16 0.00 0.00 57.16 57.27 1it1 n GLU 96 Cb 0.56 -1.63 -0.01 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.07 0.00 -1.84 3.38 -0.03 0.15 115.31 116.75 1it1 h LEU 97 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1it1 h LEU 97 Cb 1.88 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1it1 h LEU 97 CO -0.05 0.26 -1.17 0.35 0.09 0.00 0.00 178.44 177.92 1it1 n THR 98 N -3.97 0.81 -1.64 0.22 -2.24 -0.62 -4.74 114.28 102.10 1it1 n THR 98 Ca -0.01 -0.60 -0.55 0.00 -2.27 0.00 0.00 64.05 60.62 1it1 n THR 98 Cb 0.03 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 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 1.26 0.55 0.03 3.38 0.00 0.24 -4.87 105.19 105.78 1it1 n GLY 99 Ca -0.04 0.80 -0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.39 3.20 0.00 0.00 -0.14 -1.26 -4.06 119.74 116.09 1it1 s LYS 101 Ca -0.00 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 1it1 s LYS 101 Cb 0.00 -3.91 0.00 0.00 -1.68 0.00 0.00 37.83 32.24 1it1 s LYS 101 CO 0.01 -0.65 0.00 0.41 -0.76 0.00 0.00 175.35 174.36 1it1 n GLY 102 N 5.12 0.80 0.00 -3.33 0.00 -1.24 -5.09 105.19 101.44 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 -0.06 1.61 3.41 -1.16 -4.76 113.62 112.65 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 0.14 4.33 4.76 0.51 -4.34 118.16 124.42 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 0.04 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 n HIS 106 N -3.25 3.51 0.00 0.00 8.25 -1.26 -4.46 115.22 118.01 1it1 n HIS 106 Ca 0.02 -4.14 0.00 0.00 -0.26 0.00 0.00 57.72 53.34 1it1 n HIS 106 Cb 0.74 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1it1 n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43