#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k91 s THR 2 N 0.00 4.56 0.06 0.00 2.01 -0.56 -4.93 115.64 116.77 3k91 s THR 2 Ca 0.00 1.48 0.04 0.00 0.31 0.00 0.00 61.69 63.52 3k91 s THR 2 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3k91 s THR 2 CO 0.00 0.53 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.80 3k91 s LYS 3 N -1.06 0.70 0.21 4.92 1.02 -1.26 -0.83 119.74 123.44 3k91 s LYS 3 Ca 0.33 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 3k91 s LYS 3 Cb -0.21 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 3k91 s LYS 3 CO 0.23 0.13 0.25 0.00 -0.92 0.00 0.00 175.35 175.04 3k91 s ALA 4 N -1.26 0.64 0.05 5.17 0.00 -0.27 -1.51 121.76 124.57 3k91 s ALA 4 Ca -0.05 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 3k91 s ALA 4 Cb -0.10 1.24 0.04 0.00 0.00 0.00 0.00 23.12 24.30 3k91 s ALA 4 CO 0.01 -0.67 0.44 0.54 0.00 0.00 0.00 175.76 176.08 3k91 s VAL 5 N -4.10 0.05 -0.09 0.00 0.11 0.08 -0.67 120.40 115.78 3k91 s VAL 5 Ca 0.32 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3k91 s VAL 5 Cb 0.04 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.98 3k91 s VAL 5 CO 0.10 -0.22 0.21 0.00 -3.33 0.00 0.00 175.10 171.86 3k91 s VAL 7 N 1.20 5.13 -0.17 0.00 1.01 -1.26 -1.17 120.40 125.14 3k91 s VAL 7 Ca -0.09 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3k91 s VAL 7 Cb -0.11 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3k91 s VAL 7 CO -0.07 0.12 0.61 -0.76 0.00 0.00 0.00 175.10 174.99 3k91 s LEU 8 N 1.71 4.18 0.04 3.92 1.43 0.37 -3.85 118.68 126.47 3k91 s LEU 8 Ca 0.06 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 3k91 s LEU 8 Cb -0.17 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3k91 s LEU 8 CO 0.10 -0.21 -0.08 -0.54 0.23 0.00 0.00 176.35 175.85 3k91 s LYS 9 N 1.59 0.54 0.00 1.70 1.02 -0.55 -2.01 119.74 122.03 3k91 s LYS 9 Ca 0.29 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3k91 s LYS 9 Cb -0.16 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 3k91 s LYS 9 CO 0.11 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 3k91 n GLY 10 N 1.71 5.15 1.01 -3.33 0.00 -1.22 -1.47 105.19 107.05 3k91 n GLY 10 Ca -0.21 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.39 3k91 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k91 n ASP 11 N -0.60 3.00 0.00 1.61 8.00 -1.26 -4.94 116.55 122.36 3k91 n ASP 11 Ca 0.00 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3k91 n ASP 11 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3k91 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k91 n GLY 12 N 1.41 5.58 0.15 0.44 0.00 -1.26 -5.03 105.19 106.47 3k91 n GLY 12 Ca 0.19 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.27 3k91 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k91 h PRO 13 N 0.00 0.00 -6.34 1.61 0.11 -1.92 -3.46 132.00 122.00 3k91 h PRO 13 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.57 3k91 h PRO 13 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k91 h PRO 13 CO 0.00 0.00 0.92 0.08 -0.21 0.00 0.00 178.00 178.79 3k91 s VAL 14 N -3.19 3.64 0.05 3.15 1.01 -1.26 -4.14 120.40 119.66 3k91 s VAL 14 Ca 0.08 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 3k91 s VAL 14 Cb 0.10 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.91 3k91 s VAL 14 CO 0.59 -0.03 0.50 0.00 0.00 0.00 0.00 175.10 176.16 3k91 s GLN 15 N 2.87 1.03 0.11 2.72 -2.07 -0.90 -3.42 119.66 119.99 3k91 s GLN 15 Ca 0.66 -0.29 -0.26 0.00 -1.82 0.00 0.00 55.36 53.66 3k91 s GLN 15 Cb -0.32 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.14 3k91 s GLN 15 CO 0.27 -0.37 0.92 0.20 -1.32 0.00 0.00 175.29 174.99 3k91 s GLY 16 N -2.04 -0.31 -0.07 2.60 0.00 -0.85 -0.20 107.32 106.44 3k91 s GLY 16 Ca -0.05 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.09 3k91 s GLY 16 CO -0.03 0.11 -0.09 -0.42 0.00 0.00 0.00 173.10 172.68 3k91 s ILE 17 N -3.26 0.93 -0.08 0.90 1.01 -0.94 -0.48 121.20 119.28 3k91 s ILE 17 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3k91 s ILE 17 Cb -0.01 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3k91 s ILE 17 CO -0.02 0.32 -0.19 -0.63 0.00 0.00 0.00 174.94 174.43 3k91 s ILE 18 N 1.07 1.64 0.09 2.92 -1.09 -0.32 -2.34 121.20 123.18 3k91 s ILE 18 Ca -0.08 -0.78 0.04 0.00 -2.23 0.00 0.00 60.65 57.60 3k91 s ILE 18 Cb -0.14 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 3k91 s ILE 18 CO -0.01 0.47 0.04 0.20 -1.23 0.00 0.00 174.94 174.41 3k91 s ASN 19 N 0.42 5.29 0.00 3.58 -0.87 0.15 -0.97 114.94 122.55 3k91 s ASN 19 Ca -0.15 -0.09 0.04 0.00 -1.57 0.00 0.00 52.86 51.09 3k91 s ASN 19 Cb -0.16 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.25 39.70 3k91 s ASN 19 CO 0.06 0.17 -0.12 -0.36 -2.57 0.00 0.00 177.10 174.28 3k91 s PHE 20 N -1.36 1.10 -0.08 2.20 0.40 0.15 -1.44 117.98 118.95 3k91 s PHE 20 Ca 0.28 -0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.31 3k91 s PHE 20 Cb -0.12 -0.69 0.04 0.00 0.51 0.00 0.00 43.02 42.76 3k91 s PHE 20 CO 0.20 -0.01 0.20 -2.00 0.70 0.00 0.00 175.22 174.32 3k91 s GLU 21 N -0.52 0.18 -0.09 0.44 2.12 -0.36 -1.11 118.70 119.36 3k91 s GLU 21 Ca 0.04 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.76 3k91 s GLU 21 Cb -0.05 -0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.29 3k91 s GLU 21 CO -0.00 -0.12 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.42 3k91 s GLN 22 N 0.90 1.04 0.11 4.30 0.74 -0.01 -0.31 119.66 126.42 3k91 s GLN 22 Ca -0.07 -0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.17 3k91 s GLN 22 Cb -0.08 -1.27 -0.15 0.00 1.10 0.00 0.00 33.01 32.61 3k91 s GLN 22 CO -0.05 -0.29 1.28 0.87 -0.55 0.00 0.00 175.29 176.55 3k91 h LYS 23 N 8.26 0.69 -4.02 1.67 1.57 -1.84 -1.48 116.57 121.41 3k91 h LYS 23 Ca -0.24 -0.63 -0.20 0.00 -1.87 0.00 0.00 60.65 57.71 3k91 h LYS 23 Cb 1.13 0.15 -0.23 0.00 0.08 0.00 0.00 32.23 33.36 3k91 h LYS 23 CO 0.33 1.23 -0.71 -1.83 -0.57 0.00 0.00 179.45 177.90 3k91 s GLU 24 N -3.55 0.28 0.51 3.15 -1.05 -1.26 -4.53 118.70 112.25 3k91 s GLU 24 Ca -0.09 -0.49 0.26 0.00 -0.15 0.00 0.00 54.97 54.49 3k91 s GLU 24 Cb 0.08 0.02 1.36 0.00 -0.44 0.00 0.00 34.13 35.15 3k91 s GLU 24 CO 0.90 -0.02 1.94 0.66 0.95 0.00 0.00 175.26 179.69 3k91 h SER 25 N 4.97 0.08 -0.10 0.83 4.64 -1.98 0.37 113.55 122.36 3k91 h SER 25 Ca -0.31 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3k91 h SER 25 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3k91 h SER 25 CO 0.43 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 3k91 n ASN 26 N -4.37 2.43 -4.99 4.97 6.94 -1.26 -4.89 115.26 114.09 3k91 n ASN 26 Ca 0.14 -1.80 -0.19 0.00 -0.02 0.00 0.00 54.58 52.71 3k91 n ASN 26 Cb 0.73 -0.06 0.04 0.00 -2.36 0.00 0.00 39.78 38.13 3k91 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3k91 s GLY 27 N -1.86 1.85 0.61 4.83 0.00 0.13 -5.08 107.32 107.80 3k91 s GLY 27 Ca 0.33 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.10 3k91 s GLY 27 CO 0.31 -1.46 1.17 -4.14 0.00 0.00 0.00 173.10 168.97 3k91 s PRO 28 N -4.57 2.94 -0.24 2.90 0.02 -1.26 -4.85 135.00 129.93 3k91 s PRO 28 Ca 0.58 1.67 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3k91 s PRO 28 Cb -0.08 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 3k91 s PRO 28 CO 0.37 -1.20 0.19 0.08 -0.33 0.00 0.00 177.00 176.11 3k91 s VAL 29 N -1.84 5.33 -0.12 3.83 1.01 0.12 -4.39 120.40 124.34 3k91 s VAL 29 Ca 0.74 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 3k91 s VAL 29 Cb -0.26 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3k91 s VAL 29 CO 0.34 0.32 0.79 -0.54 0.00 0.00 0.00 175.10 176.01 3k91 s LYS 30 N 1.18 4.36 -0.17 2.72 1.02 0.58 -1.29 119.74 128.14 3k91 s LYS 30 Ca 0.09 0.98 0.01 0.00 0.02 0.00 0.00 55.97 57.07 3k91 s LYS 30 Cb -0.14 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 3k91 s LYS 30 CO 0.06 -0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.21 3k91 s VAL 31 N 1.56 2.22 -0.02 3.17 1.01 0.24 -1.22 120.40 127.37 3k91 s VAL 31 Ca 0.39 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3k91 s VAL 31 Cb -0.17 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.31 3k91 s VAL 31 CO 0.16 0.53 0.34 -1.66 0.00 0.00 0.00 175.10 174.47 3k91 s TRP 32 N 1.08 -0.23 -4.24 5.22 -2.14 -0.52 0.15 118.94 118.26 3k91 s TRP 32 Ca -0.00 0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.13 3k91 s TRP 32 Cb -0.14 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 3k91 s TRP 32 CO -0.07 -0.39 0.00 0.41 -2.66 0.00 0.00 176.95 174.24 3k91 n GLY 33 N 1.35 -0.51 3.18 3.67 0.00 -0.54 0.31 105.19 112.64 3k91 n GLY 33 Ca -0.21 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3k91 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k91 s SER 34 N -4.00 -0.03 -0.04 1.61 1.04 -0.99 -0.06 113.70 111.24 3k91 s SER 34 Ca 0.00 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.24 3k91 s SER 34 Cb 0.00 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.40 3k91 s SER 34 CO 0.00 -0.48 -0.10 -0.63 0.98 0.00 0.00 173.24 173.01 3k91 s ILE 35 N -1.96 0.89 0.44 -1.02 1.01 -0.17 -2.21 121.20 118.18 3k91 s ILE 35 Ca -0.10 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.24 3k91 s ILE 35 Cb -0.04 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 3k91 s ILE 35 CO -0.00 0.29 0.11 -1.59 0.00 0.00 0.00 174.94 173.74 3k91 s LYS 36 N 0.46 2.14 -0.06 2.79 -2.85 0.72 -0.05 119.74 122.89 3k91 s LYS 36 Ca -0.08 -2.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.84 3k91 s LYS 36 Cb -0.12 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 3k91 s LYS 36 CO 0.02 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.69 3k91 n GLY 37 N -1.20 0.47 3.94 0.59 0.00 -0.95 -2.11 105.19 105.92 3k91 n GLY 37 Ca -0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 3k91 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k91 s LEU 38 N -0.12 4.16 0.42 0.99 1.43 -0.67 -4.11 118.68 120.77 3k91 s LEU 38 Ca 0.00 0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 53.25 3k91 s LEU 38 Cb 0.00 -3.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 3k91 s LEU 38 CO 0.00 -0.15 1.13 0.42 0.23 0.00 0.00 176.35 177.98 3k91 s THR 39 N -2.06 3.32 0.27 5.49 -4.23 -1.26 -3.97 115.64 113.20 3k91 s THR 39 Ca 0.39 1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 61.63 3k91 s THR 39 Cb -0.10 -3.55 -0.12 0.00 1.34 0.00 0.00 72.50 70.07 3k91 s THR 39 CO 0.31 0.03 1.49 1.21 -0.54 0.00 0.00 174.62 177.13 3k91 n GLU 40 N -0.17 2.36 0.00 3.99 2.13 -1.26 -4.57 120.64 123.13 3k91 n GLU 40 Ca 0.06 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.71 3k91 n GLU 40 Cb 0.48 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3k91 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k91 n GLY 41 N 2.06 -0.04 3.78 8.31 0.00 -0.20 -4.91 105.19 114.19 3k91 n GLY 41 Ca 0.10 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3k91 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k91 s LEU 42 N 0.00 4.53 -0.03 0.99 1.02 -1.26 -0.95 118.68 122.99 3k91 s LEU 42 Ca 0.00 1.64 -0.00 0.00 0.02 0.00 0.00 54.13 55.78 3k91 s LEU 42 Cb 0.00 -3.42 0.03 0.00 0.02 0.00 0.00 46.19 42.82 3k91 s LEU 42 CO 0.00 0.16 0.03 -1.00 0.02 0.00 0.00 176.35 175.55 3k91 s HIS 43 N -1.25 0.13 0.41 0.29 3.76 -0.14 -2.96 115.29 115.52 3k91 s HIS 43 Ca 0.38 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 55.14 3k91 s HIS 43 Cb -0.22 -0.34 -0.10 0.00 1.11 0.00 0.00 32.58 33.03 3k91 s HIS 43 CO 0.25 -0.12 1.42 0.41 -0.85 0.00 0.00 174.74 175.85 3k91 n GLY 44 N 4.39 0.97 2.71 -2.22 0.00 -0.10 -1.11 105.19 109.84 3k91 n GLY 44 Ca -0.23 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3k91 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k91 s PHE 45 N -1.16 0.59 0.18 1.61 5.36 -0.08 -0.27 117.98 124.21 3k91 s PHE 45 Ca 0.58 -0.34 -0.17 0.00 -0.96 0.00 0.00 56.93 56.04 3k91 s PHE 45 Cb -0.48 -0.80 0.03 0.00 -0.34 0.00 0.00 43.02 41.43 3k91 s PHE 45 CO 0.60 -0.43 0.48 -0.98 -1.46 0.00 0.00 175.22 173.43 3k91 s ARG 46 N 2.00 1.29 -0.16 10.12 1.70 -0.78 -2.04 118.95 131.08 3k91 s ARG 46 Ca 0.03 -0.85 -0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3k91 s ARG 46 Cb -0.14 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 3k91 s ARG 46 CO -0.07 -0.54 0.01 0.08 -1.08 0.00 0.00 175.30 173.71 3k91 s VAL 47 N -3.86 4.36 0.41 4.99 1.01 -0.44 -0.73 120.40 126.13 3k91 s VAL 47 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3k91 s VAL 47 Cb -0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3k91 s VAL 47 CO -0.05 0.49 0.61 -1.10 0.00 0.00 0.00 175.10 175.04 3k91 s GLN 48 N 0.28 3.16 0.14 2.72 -1.52 0.75 -2.35 119.66 122.85 3k91 s GLN 48 Ca 0.00 -0.56 -0.13 0.00 -1.95 0.00 0.00 55.36 52.72 3k91 s GLN 48 Cb -0.13 -2.63 0.01 0.00 -0.22 0.00 0.00 33.01 30.04 3k91 s GLN 48 CO 0.02 -0.12 1.60 1.49 -0.25 0.00 0.00 175.29 178.03 3k91 h GLU 49 N 0.57 0.82 -6.02 2.91 4.81 -0.92 -3.23 114.58 113.53 3k91 h GLU 49 Ca -0.47 -0.25 -0.64 0.00 -0.13 0.00 0.00 59.36 57.87 3k91 h GLU 49 Cb 1.25 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 3k91 h GLU 49 CO 0.57 0.86 -0.56 -0.06 -0.73 0.00 0.00 179.01 179.09 3k91 s PHE 50 N -5.06 3.32 -0.78 0.92 0.08 -0.98 -4.69 117.98 110.79 3k91 s PHE 50 Ca -0.13 0.20 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3k91 s PHE 50 Cb 0.11 -1.72 0.33 0.00 -0.57 0.00 0.00 43.02 41.18 3k91 s PHE 50 CO 0.81 0.56 2.10 0.41 -0.10 0.00 0.00 175.22 179.00 3k91 n GLY 51 N 0.84 5.44 3.38 4.36 0.00 -1.06 -2.54 105.19 115.61 3k91 n GLY 51 Ca -0.11 -2.39 -0.40 0.00 0.00 0.00 0.00 46.02 43.13 3k91 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k91 s ASP 52 N -1.02 5.70 -0.22 1.61 -1.08 -1.26 -4.91 116.67 115.49 3k91 s ASP 52 Ca 0.54 -0.94 0.13 0.00 -0.52 0.00 0.00 52.55 51.76 3k91 s ASP 52 Cb 0.44 -2.02 0.44 0.00 -1.46 0.00 0.00 42.92 40.33 3k91 s ASP 52 CO -0.35 -0.36 1.33 0.59 0.52 0.00 0.00 175.17 176.90 3k91 n ASN 53 N 4.99 2.46 0.28 -0.34 4.13 -1.26 -3.29 115.26 122.23 3k91 n ASN 53 Ca -0.12 -3.56 0.15 0.00 1.68 0.00 0.00 54.58 52.73 3k91 n ASN 53 Cb 0.46 -0.55 0.84 0.00 -1.54 0.00 0.00 39.78 38.99 3k91 n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3k91 h THR 54 N 0.93 0.48 -1.13 3.41 1.35 -1.92 -2.24 112.91 113.79 3k91 h THR 54 Ca 0.08 -0.29 -0.51 0.00 -0.55 0.00 0.00 66.41 65.14 3k91 h THR 54 Cb 1.31 1.19 -0.42 0.00 -1.73 0.00 0.00 68.15 68.51 3k91 h THR 54 CO 0.18 0.06 -0.86 0.00 -0.25 0.00 0.00 175.52 174.64 3k91 n ALA 55 N -2.27 4.57 -0.90 6.62 0.00 -1.26 -5.06 120.51 122.21 3k91 n ALA 55 Ca -0.02 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.56 3k91 n ALA 55 Cb 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3k91 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 56 N -0.49 2.96 0.05 0.00 0.00 -0.84 -1.88 105.19 104.99 3k91 n GLY 56 Ca 0.33 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3k91 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k91 h THR 58 N 0.00 0.00 -0.43 0.00 2.02 -1.72 -2.88 112.91 109.90 3k91 h THR 58 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3k91 h THR 58 Cb 0.58 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3k91 h THR 58 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 3k91 n SER 59 N -2.84 3.19 0.03 4.18 3.41 -1.23 -4.52 113.62 115.84 3k91 n SER 59 Ca 0.00 -1.95 0.10 0.00 -0.26 0.00 0.00 58.87 56.77 3k91 n SER 59 Cb 0.24 -0.28 0.44 0.00 -0.26 0.00 0.00 64.21 64.34 3k91 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k91 n ALA 60 N 0.97 1.92 -0.07 7.33 0.00 -1.09 -4.43 120.51 125.14 3k91 n ALA 60 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3k91 n ALA 60 Cb 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3k91 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 61 N 0.57 -1.60 3.62 0.00 0.00 -1.26 -2.33 105.19 104.19 3k91 n GLY 61 Ca 0.05 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 3k91 n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k91 s PRO 62 N 0.00 0.25 0.53 1.61 0.02 -1.26 -4.66 135.00 131.49 3k91 s PRO 62 Ca 0.00 0.85 -0.21 0.00 0.02 0.00 0.00 61.00 61.65 3k91 s PRO 62 Cb 0.00 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.78 3k91 s PRO 62 CO 0.00 -2.94 1.28 -1.01 -0.33 0.00 0.00 177.00 174.00 3k91 s HIS 63 N -2.74 2.47 -0.45 6.54 3.76 -1.26 -0.55 115.29 123.07 3k91 s HIS 63 Ca 0.66 1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 56.73 3k91 s HIS 63 Cb -0.21 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 29.86 3k91 s HIS 63 CO 0.60 -2.38 1.51 0.12 -0.85 0.00 0.00 174.74 173.74 3k91 s PHE 64 N -1.42 2.21 -0.41 1.40 5.36 -0.99 -4.32 117.98 119.81 3k91 s PHE 64 Ca 0.70 0.62 0.09 0.00 -0.96 0.00 0.00 56.93 57.39 3k91 s PHE 64 Cb -0.35 -4.29 0.32 0.00 -0.34 0.00 0.00 43.02 38.36 3k91 s PHE 64 CO 0.41 -2.18 0.83 -1.71 -1.46 0.00 0.00 175.22 171.11 3k91 n ASN 65 N 9.54 -0.46 -0.06 6.13 5.15 -1.26 -1.09 115.26 133.21 3k91 n ASN 65 Ca 0.17 -3.19 0.19 0.00 -0.60 0.00 0.00 54.58 51.15 3k91 n ASN 65 Cb 0.48 0.31 0.64 0.00 -0.53 0.00 0.00 39.78 40.68 3k91 n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3k91 h PRO 66 N 3.21 0.12 -0.09 1.20 0.11 -1.93 -1.34 132.00 133.28 3k91 h PRO 66 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3k91 h PRO 66 Cb 1.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3k91 h PRO 66 CO 0.37 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.52 3k91 n LEU 67 N -4.40 1.84 -3.67 2.35 4.77 -1.26 -4.95 117.00 111.68 3k91 n LEU 67 Ca 0.11 -0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 55.20 3k91 n LEU 67 Cb 0.60 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3k91 n LEU 67 CO 0.36 0.34 0.00 -1.20 -1.33 0.00 0.00 177.39 175.56 3k91 n SER 68 N 0.44 -2.02 -5.02 -1.43 7.64 -0.51 -5.00 113.62 107.73 3k91 n SER 68 Ca 0.18 -0.77 -0.20 0.00 1.01 0.00 0.00 58.87 59.09 3k91 n SER 68 Cb 0.39 -4.28 0.05 0.00 -1.01 0.00 0.00 64.21 59.36 3k91 n SER 68 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k91 s ARG 69 N -5.96 2.34 0.36 1.43 3.52 -1.26 -5.11 118.95 114.27 3k91 s ARG 69 Ca 0.11 -1.65 -0.15 0.00 -0.13 0.00 0.00 55.73 53.91 3k91 s ARG 69 Cb -0.05 -2.59 -0.09 0.00 -1.56 0.00 0.00 34.95 30.65 3k91 s ARG 69 CO 0.80 -0.78 0.79 0.15 -0.81 0.00 0.00 175.30 175.44 3k91 s LYS 70 N -4.59 4.01 0.36 5.12 1.02 -1.26 -4.75 119.74 119.64 3k91 s LYS 70 Ca 0.58 0.73 -0.28 0.00 0.02 0.00 0.00 55.97 57.02 3k91 s LYS 70 Cb -0.06 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 3k91 s LYS 70 CO 0.36 0.08 1.38 -1.58 -0.92 0.00 0.00 175.35 174.68 3k91 s HIS 71 N -2.10 2.82 0.00 3.18 5.65 -1.07 -2.92 115.29 120.85 3k91 s HIS 71 Ca 0.55 1.31 0.00 0.00 0.25 0.00 0.00 55.06 57.17 3k91 s HIS 71 Cb -0.10 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 3k91 s HIS 71 CO 0.19 -2.37 0.00 0.41 -0.65 0.00 0.00 174.74 172.32 3k91 n GLY 72 N 0.64 2.69 3.92 1.59 0.00 -1.26 -4.23 105.19 108.53 3k91 n GLY 72 Ca 0.01 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 3k91 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k91 s GLY 73 N -0.53 1.57 0.61 -0.02 0.00 -1.18 -4.65 107.32 103.12 3k91 s GLY 73 Ca 0.00 -0.67 0.34 0.00 0.00 0.00 0.00 44.72 44.39 3k91 s GLY 73 CO 0.00 -0.44 2.28 -2.55 0.00 0.00 0.00 173.10 172.39 3k91 h PRO 74 N 0.01 0.00 -0.02 2.90 0.11 -1.89 -1.29 132.00 131.82 3k91 h PRO 74 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k91 h PRO 74 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k91 h PRO 74 CO 0.61 0.01 -0.44 1.63 -0.21 0.00 0.00 178.00 179.60 3k91 n LYS 75 N -3.59 1.25 0.00 1.05 5.02 -1.26 -4.96 118.16 115.66 3k91 n LYS 75 Ca -0.03 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 3k91 n LYS 75 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3k91 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3k91 n ASP 76 N 0.01 0.00 0.00 4.39 8.00 -0.49 -5.24 116.55 123.22 3k91 n ASP 76 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3k91 n ASP 76 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3k91 n ASP 76 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3k91 n ARG 79 N 0.00 0.00 -2.14 -1.24 1.85 -1.15 -4.83 116.66 109.15 3k91 n ARG 79 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 3k91 n ARG 79 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3k91 n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3k91 s HIS 80 N -2.19 3.16 0.44 2.89 3.76 -1.23 -4.74 115.29 117.39 3k91 s HIS 80 Ca 0.00 1.49 0.12 0.00 -0.15 0.00 0.00 55.06 56.52 3k91 s HIS 80 Cb 0.00 -2.93 1.02 0.00 1.11 0.00 0.00 32.58 31.78 3k91 s HIS 80 CO 0.00 -0.87 2.02 0.28 -0.85 0.00 0.00 174.74 175.33 3k91 h VAL 81 N 0.54 0.97 0.00 -0.90 2.07 -1.84 -2.60 116.25 114.48 3k91 h VAL 81 Ca -0.47 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3k91 h VAL 81 Cb 1.21 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3k91 h VAL 81 CO 0.59 0.07 -0.02 0.61 0.02 0.00 0.00 177.57 178.84 3k91 n GLY 82 N -1.51 -1.50 3.58 2.17 0.00 -0.25 -4.44 105.19 103.24 3k91 n GLY 82 Ca 0.06 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3k91 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k91 s ASP 83 N -3.03 5.69 -0.02 1.61 1.01 -0.98 -1.33 116.67 119.62 3k91 s ASP 83 Ca 0.14 0.74 0.14 0.00 0.71 0.00 0.00 52.55 54.28 3k91 s ASP 83 Cb 0.19 -2.53 0.42 0.00 1.01 0.00 0.00 42.92 42.00 3k91 s ASP 83 CO 0.54 -1.97 1.35 0.18 0.21 0.00 0.00 175.17 175.48 3k91 n LEU 84 N 11.13 3.32 0.00 1.23 4.77 -0.86 -4.16 117.00 132.43 3k91 n LEU 84 Ca 0.20 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 3k91 n LEU 84 Cb 0.49 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3k91 n LEU 84 CO 0.70 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 3k91 n GLY 85 N 0.67 0.38 3.32 -0.72 0.00 -1.19 -4.81 105.19 102.85 3k91 n GLY 85 Ca 0.16 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 3k91 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k91 s ASN 86 N -4.00 2.83 0.21 1.61 0.01 -1.26 -0.90 114.94 113.44 3k91 s ASN 86 Ca 0.00 -0.66 0.08 0.00 -0.71 0.00 0.00 52.86 51.56 3k91 s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 3k91 s ASN 86 CO 0.00 0.14 0.04 0.68 -1.51 0.00 0.00 177.10 176.45 3k91 s VAL 87 N -1.02 3.83 -0.14 1.60 -7.23 -0.26 -4.92 120.40 112.25 3k91 s VAL 87 Ca 0.09 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3k91 s VAL 87 Cb -0.10 -2.99 -0.00 0.00 0.56 0.00 0.00 36.38 33.85 3k91 s VAL 87 CO 0.04 -0.22 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.54 3k91 s THR 88 N -1.97 2.51 -0.08 5.32 2.01 -1.26 -0.97 115.64 121.20 3k91 s THR 88 Ca 0.30 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 3k91 s THR 88 Cb -0.08 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3k91 s THR 88 CO 0.20 0.53 0.19 0.00 -0.69 0.00 0.00 174.62 174.86 3k91 s ALA 89 N 0.70 3.86 0.89 7.40 0.00 -0.12 -3.94 121.76 130.54 3k91 s ALA 89 Ca -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3k91 s ALA 89 Cb -0.16 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.96 3k91 s ALA 89 CO 0.01 0.61 0.16 -0.40 0.00 0.00 0.00 175.76 176.15 3k91 n ASP 90 N 1.79 0.04 0.10 0.00 5.68 -0.41 -1.03 116.55 122.72 3k91 n ASP 90 Ca -0.18 -1.08 0.10 0.00 -0.50 0.00 0.00 54.79 53.14 3k91 n ASP 90 Cb 0.54 -0.12 0.44 0.00 -1.14 0.00 0.00 41.12 40.85 3k91 n ASP 90 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k91 n LYS 91 N -1.34 0.14 -0.19 0.11 4.76 -1.26 -0.95 118.16 119.43 3k91 n LYS 91 Ca 0.02 0.41 0.12 0.00 -2.87 0.00 0.00 58.31 55.99 3k91 n LYS 91 Cb 0.07 -1.79 0.23 0.00 -1.84 0.00 0.00 35.03 31.71 3k91 n LYS 91 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3k91 n ASP 92 N -2.06 3.38 -0.29 4.39 8.00 -1.26 -4.92 116.55 123.80 3k91 n ASP 92 Ca 0.02 -1.98 -0.04 0.00 0.71 0.00 0.00 54.79 53.50 3k91 n ASP 92 Cb 0.19 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3k91 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k91 n GLY 93 N 1.50 0.62 3.49 0.44 0.00 -0.12 -4.67 105.19 106.44 3k91 n GLY 93 Ca 0.19 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 3k91 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k91 s VAL 94 N -2.14 4.21 -0.18 1.61 1.01 -1.26 -1.68 120.40 121.98 3k91 s VAL 94 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3k91 s VAL 94 Cb 0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3k91 s VAL 94 CO 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 3k91 s ALA 95 N 1.00 2.97 0.17 5.51 0.00 0.92 -1.29 121.76 131.04 3k91 s ALA 95 Ca 0.03 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 3k91 s ALA 95 Cb -0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 3k91 s ALA 95 CO 0.02 -0.03 0.90 0.34 0.00 0.00 0.00 175.76 176.99 3k91 s ASP 96 N 0.79 7.51 -0.23 0.00 2.15 -1.25 -1.00 116.67 124.64 3k91 s ASP 96 Ca -0.01 1.79 -0.03 0.00 0.43 0.00 0.00 52.55 54.73 3k91 s ASP 96 Cb -0.14 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3k91 s ASP 96 CO 0.02 0.09 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.36 3k91 s VAL 97 N -0.70 3.15 -0.30 1.11 1.01 0.92 -4.56 120.40 121.03 3k91 s VAL 97 Ca 0.42 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3k91 s VAL 97 Cb -0.24 -2.48 0.12 0.00 0.00 0.00 0.00 36.38 33.79 3k91 s VAL 97 CO 0.29 0.36 0.23 -0.55 0.00 0.00 0.00 175.10 175.43 3k91 s SER 98 N 1.42 2.44 -0.01 3.32 0.15 -1.25 -1.47 113.70 118.31 3k91 s SER 98 Ca 0.04 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.62 3k91 s SER 98 Cb -0.15 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3k91 s SER 98 CO -0.04 -0.40 -0.12 -0.63 1.20 0.00 0.00 173.24 173.25 3k91 s ILE 99 N 2.12 0.93 -0.19 6.45 1.01 0.12 -5.00 121.20 126.65 3k91 s ILE 99 Ca 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3k91 s ILE 99 Cb -0.15 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.55 3k91 s ILE 99 CO -0.30 0.24 -0.18 -0.70 0.00 0.00 0.00 174.94 174.00 3k91 s GLU 100 N -0.33 3.02 -0.03 2.79 2.12 -1.26 0.81 118.70 125.81 3k91 s GLU 100 Ca 0.04 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.59 3k91 s GLU 100 Cb -0.05 -2.62 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 3k91 s GLU 100 CO -0.00 -0.21 -0.13 0.34 -0.54 0.00 0.00 175.26 174.71 3k91 s ASP 101 N 1.31 1.70 0.00 -1.70 2.15 -0.41 -4.94 116.67 114.78 3k91 s ASP 101 Ca 0.05 -0.27 0.21 0.00 0.43 0.00 0.00 52.55 52.96 3k91 s ASP 101 Cb -0.13 -0.45 0.32 0.00 -0.30 0.00 0.00 42.92 42.35 3k91 s ASP 101 CO -0.12 0.11 1.28 -1.54 -0.17 0.00 0.00 175.17 174.73 3k91 n SER 102 N 3.19 3.10 -0.12 -0.34 3.41 -1.26 0.11 113.62 121.72 3k91 n SER 102 Ca -0.18 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.32 3k91 n SER 102 Cb 0.54 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 3k91 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k91 n VAL 103 N 1.26 1.37 -1.19 -3.33 0.31 -1.26 -4.87 118.33 110.62 3k91 n VAL 103 Ca 0.16 -0.48 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 3k91 n VAL 103 Cb 0.54 -1.47 0.16 0.00 -0.91 0.00 0.00 33.84 32.16 3k91 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3k91 s ILE 104 N -2.47 2.28 0.19 2.52 -4.36 -1.26 -4.84 121.20 113.26 3k91 s ILE 104 Ca -0.33 0.09 -0.22 0.00 -0.26 0.00 0.00 60.65 59.93 3k91 s ILE 104 Cb 0.10 -2.59 0.05 0.00 1.25 0.00 0.00 42.46 41.27 3k91 s ILE 104 CO 0.52 -0.12 0.62 -0.55 0.24 0.00 0.00 174.94 175.65 3k91 s SER 105 N -3.45 -0.46 -0.02 4.36 0.15 -0.89 -4.59 113.70 108.80 3k91 s SER 105 Ca 0.65 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 57.27 3k91 s SER 105 Cb -0.18 0.63 0.51 0.00 -1.71 0.00 0.00 66.02 65.26 3k91 s SER 105 CO 0.57 -1.07 1.43 0.18 1.20 0.00 0.00 173.24 175.55 3k91 n LEU 106 N -0.39 3.62 -3.90 3.45 4.77 -1.26 -1.43 117.00 121.85 3k91 n LEU 106 Ca -0.13 -2.09 -0.08 0.00 -0.03 0.00 0.00 56.01 53.67 3k91 n LEU 106 Cb 0.63 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3k91 n LEU 106 CO 0.13 0.85 0.32 -0.94 -1.33 0.00 0.00 177.39 176.42 3k91 s SER 107 N -1.03 -0.19 0.07 -1.43 1.04 -1.26 -4.86 113.70 106.04 3k91 s SER 107 Ca 0.38 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3k91 s SER 107 Cb 0.21 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3k91 s SER 107 CO 0.24 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.85 3k91 n GLY 108 N -0.41 -1.77 0.26 7.32 0.00 -1.26 -3.52 105.19 105.80 3k91 n GLY 108 Ca -0.04 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.78 3k91 n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k91 h ASP 109 N 0.00 0.00 -0.55 1.61 2.03 -2.00 -2.34 116.42 115.16 3k91 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3k91 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3k91 h ASP 109 CO 0.00 0.08 0.00 1.41 -1.03 0.00 0.00 179.24 179.70 3k91 n HIS 110 N -3.21 1.33 -1.84 4.15 8.25 -1.26 -4.97 115.22 117.67 3k91 n HIS 110 Ca 0.00 -0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 3k91 n HIS 110 Cb 0.35 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 3k91 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k91 n ILE 112 N 2.51 0.00 -1.76 0.00 -5.35 -0.52 -4.91 119.36 109.33 3k91 n ILE 112 Ca 0.09 -0.41 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 3k91 n ILE 112 Cb 0.38 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 3k91 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3k91 s ILE 113 N -1.48 2.13 0.00 7.28 1.01 -1.26 -1.69 121.20 127.20 3k91 s ILE 113 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3k91 s ILE 113 Cb 0.11 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3k91 s ILE 113 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3k91 n GLY 114 N 3.95 0.97 3.99 6.18 0.00 0.11 -5.00 105.19 115.39 3k91 n GLY 114 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3k91 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k91 s ARG 115 N -0.45 2.65 -0.21 1.61 0.52 -0.68 -2.56 118.95 119.83 3k91 s ARG 115 Ca 0.00 -1.40 -0.12 0.00 -0.52 0.00 0.00 55.73 53.69 3k91 s ARG 115 Cb 0.00 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 3k91 s ARG 115 CO 0.00 -0.41 0.20 0.99 0.02 0.00 0.00 175.30 176.10 3k91 s THR 116 N -2.46 5.35 -0.03 0.02 2.01 -1.05 -0.72 115.64 118.76 3k91 s THR 116 Ca 0.55 0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.70 3k91 s THR 116 Cb -0.08 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 3k91 s THR 116 CO 0.33 0.37 0.45 -0.22 -0.69 0.00 0.00 174.62 174.86 3k91 s LEU 117 N 0.75 4.42 -0.00 4.42 2.96 -0.40 -0.18 118.68 130.65 3k91 s LEU 117 Ca 0.11 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 3k91 s LEU 117 Cb -0.13 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 3k91 s LEU 117 CO 0.03 0.22 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.52 3k91 s VAL 118 N -0.56 0.55 -0.08 1.68 1.01 0.09 -2.10 120.40 121.00 3k91 s VAL 118 Ca 0.25 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3k91 s VAL 118 Cb -0.17 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3k91 s VAL 118 CO 0.13 0.13 -0.11 0.54 0.00 0.00 0.00 175.10 175.78 3k91 s VAL 119 N -0.23 3.30 0.36 2.92 0.11 -0.66 -1.87 120.40 124.32 3k91 s VAL 119 Ca 0.02 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 3k91 s VAL 119 Cb -0.03 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.47 3k91 s VAL 119 CO -0.00 0.57 0.40 -1.00 -3.33 0.00 0.00 175.10 171.74 3k91 s HIS 120 N -0.45 2.93 0.14 1.54 3.76 0.63 -0.95 115.29 122.89 3k91 s HIS 120 Ca 0.06 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 3k91 s HIS 120 Cb -0.12 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 3k91 s HIS 120 CO 0.02 0.00 1.54 1.49 -0.85 0.00 0.00 174.74 176.94 3k91 h GLU 121 N 1.03 0.90 -5.10 1.40 4.81 -0.46 -3.37 114.58 113.79 3k91 h GLU 121 Ca -0.44 -0.37 -0.67 0.00 -0.13 0.00 0.00 59.36 57.75 3k91 h GLU 121 Cb 1.26 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 3k91 h GLU 121 CO 0.55 1.02 -0.50 0.15 -0.73 0.00 0.00 179.01 179.50 3k91 s LYS 122 N -4.72 2.19 0.36 1.92 1.02 0.17 -4.90 119.74 115.78 3k91 s LYS 122 Ca -0.12 -2.41 -0.27 0.00 0.02 0.00 0.00 55.97 53.19 3k91 s LYS 122 Cb 0.11 -1.34 -0.09 0.00 -0.52 0.00 0.00 37.83 35.99 3k91 s LYS 122 CO 0.85 -0.44 1.15 0.00 -0.92 0.00 0.00 175.35 175.99 3k91 s ALA 123 N -2.95 3.25 -0.16 5.17 0.00 -1.16 -0.92 121.76 124.99 3k91 s ALA 123 Ca 0.05 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3k91 s ALA 123 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3k91 s ALA 123 CO 0.03 -0.40 0.87 0.34 0.00 0.00 0.00 175.76 176.60 3k91 s ASP 124 N -1.05 7.01 0.00 0.00 2.15 -1.26 -3.91 116.67 119.61 3k91 s ASP 124 Ca 0.53 1.24 0.25 0.00 0.43 0.00 0.00 52.55 55.00 3k91 s ASP 124 Cb -0.31 -2.47 1.50 0.00 -0.30 0.00 0.00 42.92 41.33 3k91 s ASP 124 CO 0.39 -0.41 1.97 -0.90 -0.17 0.00 0.00 175.17 176.04 3k91 n ASP 125 N 5.22 0.04 -1.29 -0.34 5.68 0.02 -4.87 116.55 121.01 3k91 n ASP 125 Ca 0.05 -1.22 -0.15 0.00 -0.50 0.00 0.00 54.79 52.97 3k91 n ASP 125 Cb 0.49 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.41 3k91 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k91 n LEU 126 N -0.87 -1.24 -0.43 -2.12 4.77 -1.26 -1.71 117.00 114.14 3k91 n LEU 126 Ca 0.19 0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 56.40 3k91 n LEU 126 Cb 0.09 -2.23 -0.02 0.00 -2.33 0.00 0.00 43.42 38.92 3k91 n LEU 126 CO 0.14 -0.65 -0.05 0.61 -1.33 0.00 0.00 177.39 176.11 3k91 n GLY 127 N -1.09 0.81 0.77 -0.72 0.00 -1.23 -3.09 105.19 100.64 3k91 n GLY 127 Ca -0.16 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.23 3k91 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k91 n LYS 128 N -2.72 2.88 0.00 1.61 5.02 -0.69 -4.63 118.16 119.63 3k91 n LYS 128 Ca -0.06 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 3k91 n LYS 128 Cb 0.20 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3k91 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k91 n GLY 129 N 0.61 1.47 2.67 0.72 0.00 -1.26 -5.12 105.19 104.28 3k91 n GLY 129 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3k91 n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k91 n GLU 133 N -0.16 0.00 -0.13 1.61 -0.58 -1.26 -5.08 120.64 115.05 3k91 n GLU 133 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3k91 n GLU 133 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3k91 n GLU 133 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3k91 h SER 134 N 0.00 0.53 -0.03 1.62 0.87 -1.94 0.15 113.55 114.74 3k91 h SER 134 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3k91 h SER 134 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3k91 h SER 134 CO 0.00 0.52 0.00 0.35 -0.53 0.00 0.00 176.83 177.17 3k91 n THR 135 N -4.68 0.07 0.00 2.23 -2.24 -1.26 -2.62 114.28 105.78 3k91 n THR 135 Ca -0.00 -0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3k91 n THR 135 Cb 0.12 -0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3k91 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3k91 n LYS 136 N -0.30 0.00 -0.01 -0.78 3.00 -0.61 -2.59 118.16 116.87 3k91 n LYS 136 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.34 3k91 n LYS 136 Cb 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 35.03 35.05 3k91 n LYS 136 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3k91 n THR 137 N -2.61 0.30 -1.11 3.15 5.66 0.41 -4.73 114.28 115.36 3k91 n THR 137 Ca -0.00 -0.65 -0.04 0.00 -3.05 0.00 0.00 64.05 60.31 3k91 n THR 137 Cb 0.00 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 69.65 3k91 n THR 137 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k91 n GLY 138 N 0.01 0.53 2.93 1.09 0.00 -0.90 -3.10 105.19 105.75 3k91 n GLY 138 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 3k91 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k91 n ASN 139 N -0.46 -5.41 -0.09 1.61 3.02 -1.25 -0.80 115.26 111.88 3k91 n ASN 139 Ca -0.04 -0.21 0.15 0.00 -0.03 0.00 0.00 54.58 54.45 3k91 n ASN 139 Cb 0.34 -4.43 0.84 0.00 -0.61 0.00 0.00 39.78 35.92 3k91 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k91 n ALA 140 N -3.16 2.66 -0.44 5.41 0.00 -1.18 -4.71 120.51 119.09 3k91 n ALA 140 Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3k91 n ALA 140 Cb 0.62 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3k91 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k91 n GLY 141 N 1.07 0.14 3.80 0.00 0.00 -1.26 -0.66 105.19 108.29 3k91 n GLY 141 Ca 0.22 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 3k91 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k91 s SER 142 N -4.00 4.84 -0.34 1.61 1.04 -1.26 -4.62 113.70 110.96 3k91 s SER 142 Ca 0.00 1.51 -0.20 0.00 0.48 0.00 0.00 55.95 57.74 3k91 s SER 142 Cb 0.00 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.82 3k91 s SER 142 CO 0.00 -1.78 0.63 -0.13 0.98 0.00 0.00 173.24 172.94 3k91 s ARG 143 N -5.07 3.74 -0.00 4.02 0.52 -1.26 -0.25 118.95 120.64 3k91 s ARG 143 Ca 0.60 0.11 -0.07 0.00 -0.52 0.00 0.00 55.73 55.85 3k91 s ARG 143 Cb -0.15 -3.79 -0.30 0.00 0.52 0.00 0.00 34.95 31.24 3k91 s ARG 143 CO 0.55 -0.69 0.84 -0.07 0.02 0.00 0.00 175.30 175.95 3k91 h LEU 144 N 9.31 0.52 -7.02 2.53 3.38 -1.34 -3.48 115.31 119.20 3k91 h LEU 144 Ca -0.27 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 3k91 h LEU 144 Cb 1.11 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 3k91 h LEU 144 CO 0.82 1.58 0.19 0.00 0.09 0.00 0.00 178.44 181.12 3k91 s ALA 145 N -2.61 -1.58 0.07 1.53 0.00 -1.20 -3.99 121.76 113.98 3k91 s ALA 145 Ca -0.11 0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 3k91 s ALA 145 Cb 0.06 0.75 0.09 0.00 0.00 0.00 0.00 23.12 24.02 3k91 s ALA 145 CO 0.87 -0.71 0.97 0.00 0.00 0.00 0.00 175.76 176.89 3k91 s GLY 147 N -2.74 -0.37 0.03 0.00 0.00 -0.89 -1.48 107.32 101.87 3k91 s GLY 147 Ca 0.09 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 3k91 s GLY 147 CO -0.03 0.16 0.71 0.14 0.00 0.00 0.00 173.10 174.07 3k91 s VAL 148 N -3.32 4.78 -0.10 1.40 1.01 -1.26 -1.28 120.40 121.63 3k91 s VAL 148 Ca 0.08 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3k91 s VAL 148 Cb -0.02 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3k91 s VAL 148 CO -0.04 0.39 1.19 -0.63 0.00 0.00 0.00 175.10 176.01 3k91 s ILE 149 N -0.15 4.33 0.27 2.22 1.01 0.10 -4.54 121.20 124.43 3k91 s ILE 149 Ca 0.36 1.63 0.12 0.00 0.00 0.00 0.00 60.65 62.76 3k91 s ILE 149 Cb -0.20 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3k91 s ILE 149 CO 0.21 -0.05 -0.20 -0.83 0.00 0.00 0.00 174.94 174.07 3k91 s GLY 150 N 1.57 1.86 0.27 6.18 0.00 0.44 -0.72 107.32 116.91 3k91 s GLY 150 Ca 0.54 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 3k91 s GLY 150 CO 0.19 -1.92 1.21 -0.42 0.00 0.00 0.00 173.10 172.16 3k91 s ILE 151 N -2.37 3.23 0.28 0.90 1.01 -1.26 -0.74 121.20 122.25 3k91 s ILE 151 Ca 0.29 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.13 3k91 s ILE 151 Cb -0.05 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3k91 s ILE 151 CO 0.14 0.25 0.14 0.00 0.00 0.00 0.00 174.94 175.47 3k91 s ALA 152 N -0.79 1.82 0.00 9.38 0.00 -0.57 -4.77 121.76 126.83 3k91 s ALA 152 Ca 0.49 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3k91 s ALA 152 Cb -0.35 1.15 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3k91 s ALA 152 CO 0.43 -0.50 0.31 0.00 0.00 0.00 0.00 175.76 176.00