#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u37 s PHE 18 N 0.00 3.13 -0.17 -0.32 0.40 -1.26 -0.63 117.98 119.12 1u37 s PHE 18 Ca 0.00 1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.89 1u37 s PHE 18 Cb 0.00 -3.07 0.08 0.00 0.51 0.00 0.00 43.02 40.55 1u37 s PHE 18 CO 0.00 -0.68 0.31 0.21 0.70 0.00 0.00 175.22 175.76 1u37 s LYS 19 N -2.96 0.22 -1.21 0.44 2.20 -0.70 -4.96 119.74 112.77 1u37 s LYS 19 Ca 0.63 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.75 1u37 s LYS 19 Cb -0.18 -0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.01 1u37 s LYS 19 CO 0.22 -0.38 1.75 0.16 -0.36 0.00 0.00 175.35 176.74 1u37 s ASP 20 N 2.47 6.33 -0.06 1.43 -4.77 -1.26 -1.39 116.67 119.42 1u37 s ASP 20 Ca 0.03 -2.05 -0.30 0.00 -3.30 0.00 0.00 52.55 46.94 1u37 s ASP 20 Cb -0.13 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 1u37 s ASP 20 CO -0.11 -1.70 1.38 -0.69 0.70 0.00 0.00 175.17 174.75 1u37 s VAL 21 N 6.04 3.91 -0.36 2.11 1.01 -0.34 -4.90 120.40 127.87 1u37 s VAL 21 Ca 0.57 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 1u37 s VAL 21 Cb 0.02 -3.78 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1u37 s VAL 21 CO 0.06 -0.04 0.11 0.12 0.00 0.00 0.00 175.10 175.34 1u37 s PHE 22 N 2.90 3.49 -0.50 5.22 2.19 -1.23 -0.65 117.98 129.40 1u37 s PHE 22 Ca 0.62 -2.29 -0.16 0.00 0.33 0.00 0.00 56.93 55.43 1u37 s PHE 22 Cb -0.28 -2.77 0.09 0.00 -1.31 0.00 0.00 43.02 38.75 1u37 s PHE 22 CO 0.23 -0.91 0.45 0.42 1.83 0.00 0.00 175.22 177.24 1u37 s ILE 23 N 1.15 5.20 -0.22 3.12 -1.09 -0.32 -4.71 121.20 124.33 1u37 s ILE 23 Ca 0.04 -1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 57.13 1u37 s ILE 23 Cb -0.21 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1u37 s ILE 23 CO -0.04 -0.69 0.39 -0.70 -1.23 0.00 0.00 174.94 172.67 1u37 s GLU 24 N 1.70 4.13 0.00 2.79 2.12 -1.26 0.02 118.70 128.19 1u37 s GLU 24 Ca 0.04 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1u37 s GLU 24 Cb -0.26 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1u37 s GLU 24 CO 0.06 -0.11 0.00 0.36 -0.54 0.00 0.00 175.26 175.03 1u37 n LYS 25 N 4.73 0.00 -3.95 4.30 2.85 -0.79 -4.83 118.16 120.46 1u37 n LYS 25 Ca -0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 1u37 n LYS 25 Cb 0.51 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.84 1u37 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u37 s GLN 26 N -1.93 3.32 0.17 -1.58 -1.52 -1.26 -4.10 119.66 112.77 1u37 s GLN 26 Ca 0.00 -0.43 -0.33 0.00 -1.95 0.00 0.00 55.36 52.65 1u37 s GLN 26 Cb 0.00 -3.00 -0.14 0.00 -0.22 0.00 0.00 33.01 29.65 1u37 s GLN 26 CO 0.00 0.64 1.54 1.63 -0.25 0.00 0.00 175.29 178.85 1u37 n LYS 27 N 0.69 2.11 -0.26 2.91 5.02 -1.26 -1.69 118.16 125.68 1u37 n LYS 27 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1u37 n LYS 27 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1u37 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u37 n GLY 28 N 3.17 0.86 3.31 0.72 0.00 0.38 -4.92 105.19 108.70 1u37 n GLY 28 Ca 0.16 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1u37 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u37 s GLU 29 N -0.67 2.20 0.31 1.61 8.01 0.20 -4.93 118.70 125.44 1u37 s GLU 29 Ca 0.00 -0.92 -0.13 0.00 0.01 0.00 0.00 54.97 53.94 1u37 s GLU 29 Cb 0.00 -2.08 -0.08 0.00 -4.31 0.00 0.00 34.13 27.66 1u37 s GLU 29 CO 0.00 0.53 0.69 0.96 0.01 0.00 0.00 175.26 177.45 1u37 s ILE 30 N -0.54 4.76 0.19 -1.63 -4.36 -1.26 -4.29 121.20 114.07 1u37 s ILE 30 Ca 0.08 0.76 -0.18 0.00 -0.26 0.00 0.00 60.65 61.05 1u37 s ILE 30 Cb -0.11 -3.63 0.15 0.00 1.25 0.00 0.00 42.46 40.12 1u37 s ILE 30 CO -0.00 -0.21 1.61 0.25 0.24 0.00 0.00 174.94 176.83 1u37 h LEU 31 N 2.16 -0.85 0.00 0.37 6.46 -1.84 -3.39 115.31 118.23 1u37 h LEU 31 Ca -0.48 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1u37 h LEU 31 Cb 1.18 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1u37 h LEU 31 CO 0.66 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.83 1u37 n GLY 32 N -1.42 1.70 3.70 3.75 0.00 -1.26 0.10 105.19 111.76 1u37 n GLY 32 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1u37 n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u37 s VAL 33 N -2.11 5.23 -0.56 1.61 -7.23 -1.26 -0.62 120.40 115.45 1u37 s VAL 33 Ca 0.00 0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 60.77 1u37 s VAL 33 Cb 0.00 -3.73 0.14 0.00 0.56 0.00 0.00 36.38 33.35 1u37 s VAL 33 CO 0.00 0.32 0.49 -0.69 -0.31 0.00 0.00 175.10 174.91 1u37 s VAL 34 N 0.83 4.97 -0.00 1.32 1.01 -0.50 -4.99 120.40 123.04 1u37 s VAL 34 Ca 0.20 -1.74 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 1u37 s VAL 34 Cb -0.14 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1u37 s VAL 34 CO 0.07 -0.87 0.36 0.27 0.00 0.00 0.00 175.10 174.94 1u37 s ILE 35 N 1.31 5.11 0.25 2.22 -5.25 -1.25 -0.21 121.20 123.38 1u37 s ILE 35 Ca 0.06 0.67 0.09 0.00 -0.99 0.00 0.00 60.65 60.48 1u37 s ILE 35 Cb -0.26 -3.65 -0.05 0.00 2.95 0.00 0.00 42.46 41.44 1u37 s ILE 35 CO 0.00 0.53 -0.14 0.68 -1.79 0.00 0.00 174.94 174.23 1u37 s VAL 36 N -1.13 1.93 -0.13 8.37 -7.23 0.24 -4.66 120.40 117.78 1u37 s VAL 36 Ca 0.24 -2.24 -0.34 0.00 -1.81 0.00 0.00 61.98 57.83 1u37 s VAL 36 Cb -0.15 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.44 1u37 s VAL 36 CO 0.13 -0.46 1.91 1.21 -0.31 0.00 0.00 175.10 177.58 1u37 n GLU 37 N -0.51 2.03 -2.31 4.82 0.00 -1.26 0.63 120.64 124.03 1u37 n GLU 37 Ca -0.06 0.73 -0.41 0.00 0.00 0.00 0.00 57.16 57.41 1u37 n GLU 37 Cb 0.61 -2.62 -0.03 0.00 0.00 0.00 0.00 31.44 29.39 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1u37 s SER 38 N 4.49 7.03 0.00 4.31 0.01 -1.26 -4.83 113.70 123.45 1u37 s SER 38 Ca 0.95 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.57 1u37 s SER 38 Cb -0.71 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 62.90 1u37 s SER 38 CO 0.52 -0.38 0.15 0.61 0.41 0.00 0.00 173.24 174.54 1u37 n GLY 39 N 1.74 0.26 2.69 3.44 0.00 -1.26 -4.35 105.19 107.72 1u37 n GLY 39 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1u37 n GLY 39 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u37 n TRP 40 N -0.03 -3.71 -2.64 1.61 2.14 -1.26 -4.99 117.44 108.56 1u37 n TRP 40 Ca 0.00 -0.77 -0.29 0.00 2.07 0.00 0.00 57.50 58.52 1u37 n TRP 40 Cb 0.15 -0.86 -0.01 0.00 -0.81 0.00 0.00 31.31 29.78 1u37 n TRP 40 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1u37 n GLY 41 N -2.93 5.82 0.02 -1.67 0.00 -1.26 -4.67 105.19 100.51 1u37 n GLY 41 Ca 0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 46.02 43.36 1u37 n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u37 n SER 42 N -0.36 3.63 -3.08 1.61 7.64 -1.26 -5.10 113.62 116.69 1u37 n SER 42 Ca 0.37 -0.03 -0.15 0.00 1.01 0.00 0.00 58.87 60.08 1u37 n SER 42 Cb 0.50 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1u37 n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1u37 s ILE 43 N -2.10 0.00 0.18 0.44 1.09 -1.26 -5.13 121.20 114.42 1u37 s ILE 43 Ca -0.06 -1.54 -0.31 0.00 -1.10 0.00 0.00 60.65 57.63 1u37 s ILE 43 Cb 0.02 -2.72 -0.10 0.00 -1.06 0.00 0.00 42.46 38.60 1u37 s ILE 43 CO 0.11 0.00 1.52 -1.48 -0.10 0.00 0.00 174.94 174.99 1u37 s LEU 44 N -3.25 4.37 0.42 2.97 2.34 -1.26 -4.92 118.68 119.35 1u37 s LEU 44 Ca 0.29 2.59 -0.27 0.00 0.06 0.00 0.00 54.13 56.81 1u37 s LEU 44 Cb -0.01 -3.60 -0.10 0.00 -0.56 0.00 0.00 46.19 41.92 1u37 s LEU 44 CO 0.21 -0.78 1.46 -2.16 -1.06 0.00 0.00 176.35 174.02 1u37 s PRO 45 N 0.80 3.89 0.24 1.48 0.04 -1.26 -4.81 135.00 135.38 1u37 s PRO 45 Ca 0.67 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.21 1u37 s PRO 45 Cb -0.42 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1u37 s PRO 45 CO 0.34 -0.69 0.00 -2.37 0.04 0.00 0.00 177.00 174.32 1u37 n THR 46 N 0.12 0.00 -3.50 1.26 5.66 -1.26 -4.22 114.28 112.34 1u37 n THR 46 Ca 0.03 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.88 1u37 n THR 46 Cb 0.40 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1u37 n THR 46 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u37 s VAL 47 N -1.82 0.00 -0.11 1.08 -7.23 -1.25 -4.22 120.40 106.85 1u37 s VAL 47 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1u37 s VAL 47 Cb 0.00 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1u37 s VAL 47 CO 0.00 0.00 0.10 -0.63 -0.31 0.00 0.00 175.10 174.26 1u37 s ILE 48 N -1.97 -0.15 -0.26 -0.62 1.01 0.20 -3.45 121.20 115.96 1u37 s ILE 48 Ca -0.06 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 1u37 s ILE 48 Cb -0.00 -0.37 -0.33 0.00 0.01 0.00 0.00 42.46 41.77 1u37 s ILE 48 CO 0.02 -0.01 1.71 -0.38 0.00 0.00 0.00 174.94 176.27 1u37 n ILE 49 N 5.30 0.24 -0.13 2.92 5.41 -0.59 -0.59 119.36 131.92 1u37 n ILE 49 Ca -0.05 -0.22 0.28 0.00 1.00 0.00 0.00 62.75 63.76 1u37 n ILE 49 Cb 0.50 -2.04 0.70 0.00 -0.71 0.00 0.00 39.64 38.08 1u37 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u37 h ALA 50 N 9.99 2.67 -2.80 -1.39 0.00 -0.93 0.53 119.26 127.34 1u37 h ALA 50 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1u37 h ALA 50 Cb 0.74 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1u37 h ALA 50 CO 1.88 -1.15 0.42 0.54 0.00 0.00 0.00 179.25 180.94 1u37 s ASN 51 N -4.99 0.02 0.05 0.00 4.22 -1.18 -4.70 114.94 108.36 1u37 s ASN 51 Ca -0.04 -0.96 -0.27 0.00 -2.14 0.00 0.00 52.86 49.44 1u37 s ASN 51 Cb 0.18 0.70 0.07 0.00 1.28 0.00 0.00 41.25 43.49 1u37 s ASN 51 CO 0.65 -1.39 0.67 -0.32 -2.04 0.00 0.00 177.10 174.66 1u37 s MET 52 N -2.15 1.12 0.27 3.55 1.75 -1.26 -1.41 119.30 121.18 1u37 s MET 52 Ca 0.19 -0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.21 1u37 s MET 52 Cb -0.04 0.52 -0.09 0.00 2.84 0.00 0.00 34.83 38.06 1u37 s MET 52 CO 0.09 -0.43 1.12 1.41 -0.65 0.00 0.00 175.02 176.55 1u37 s MET 53 N -2.53 4.61 -0.70 4.11 1.75 0.21 -4.96 119.30 121.80 1u37 s MET 53 Ca -0.04 1.83 -0.27 0.00 -1.25 0.00 0.00 55.69 55.97 1u37 s MET 53 Cb -0.01 -3.19 0.01 0.00 2.84 0.00 0.00 34.83 34.49 1u37 s MET 53 CO -0.03 0.16 1.49 -1.58 -0.65 0.00 0.00 175.02 174.42 1u37 s HIS 54 N -1.06 2.06 0.00 4.11 2.46 -1.26 -3.03 115.29 118.57 1u37 s HIS 54 Ca 0.45 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.22 1u37 s HIS 54 Cb -0.32 -4.44 0.00 0.00 -0.13 0.00 0.00 32.58 27.69 1u37 s HIS 54 CO 0.41 -2.16 0.00 0.41 -2.47 0.00 0.00 174.74 170.94 1u37 n GLY 55 N 5.51 3.19 3.24 1.59 0.00 -1.26 -5.07 105.19 112.39 1u37 n GLY 55 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1u37 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u37 n GLY 56 N -1.88 -2.93 0.29 -0.02 0.00 -1.17 -4.04 105.19 95.43 1u37 n GLY 56 Ca 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.88 1u37 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u37 h PRO 57 N -2.95 0.19 -0.13 1.61 0.11 -1.69 0.66 132.00 129.80 1u37 h PRO 57 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1u37 h PRO 57 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1u37 h PRO 57 CO 0.31 0.13 0.03 0.00 -0.21 0.00 0.00 178.00 178.26 1u37 h ALA 58 N 1.71 0.13 0.00 -0.75 0.00 0.38 -2.04 119.26 118.69 1u37 h ALA 58 Ca 0.47 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1u37 h ALA 58 Cb 0.89 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1u37 h ALA 58 CO -0.62 -0.42 -0.38 1.49 0.00 0.00 0.00 179.25 179.33 1u37 h GLU 59 N 0.09 0.00 -0.19 0.00 4.81 -1.36 -3.16 114.58 114.77 1u37 h GLU 59 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1u37 h GLU 59 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1u37 h GLU 59 CO -0.07 0.38 0.12 0.87 -0.73 0.00 0.00 179.01 179.58 1u37 h LYS 60 N 0.00 0.26 -0.92 1.92 1.57 0.94 -2.36 116.57 117.98 1u37 h LYS 60 Ca -0.00 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1u37 h LYS 60 Cb 0.91 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 1u37 h LYS 60 CO 0.05 0.19 0.59 1.03 -0.57 0.00 0.00 179.45 180.74 1u37 h SER 61 N 0.25 0.76 -0.05 0.86 0.87 -1.37 -3.45 113.55 111.41 1u37 h SER 61 Ca 0.07 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1u37 h SER 61 Cb -0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1u37 h SER 61 CO -0.01 0.40 -0.02 0.61 -0.53 0.00 0.00 176.83 177.28 1u37 n GLY 62 N -1.40 0.46 0.22 5.77 0.00 -0.89 -4.86 105.19 104.48 1u37 n GLY 62 Ca 0.17 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1u37 n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u37 n LYS 63 N -2.21 0.48 -2.72 1.61 5.02 -1.26 -4.93 118.16 114.15 1u37 n LYS 63 Ca -0.01 0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1u37 n LYS 63 Cb 0.13 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u37 s LEU 64 N -6.70 3.99 -0.07 -0.35 1.43 -1.26 -5.03 118.68 110.70 1u37 s LEU 64 Ca -0.29 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1u37 s LEU 64 Cb 0.09 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1u37 s LEU 64 CO 0.42 -0.79 -0.14 0.20 0.23 0.00 0.00 176.35 176.28 1u37 s ASN 65 N 1.58 4.01 -0.49 2.29 0.01 -1.26 -4.70 114.94 116.38 1u37 s ASN 65 Ca 0.42 -0.23 -0.46 0.00 -0.71 0.00 0.00 52.86 51.88 1u37 s ASN 65 Cb -0.13 -1.04 -0.20 0.00 0.41 0.00 0.00 41.25 40.30 1u37 s ASN 65 CO 0.13 0.30 1.73 -0.38 -1.51 0.00 0.00 177.10 177.37 1u37 n ILE 66 N 2.62 0.01 0.00 0.60 5.41 -1.26 -0.83 119.36 125.91 1u37 n ILE 66 Ca -0.17 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1u37 n ILE 66 Cb 0.52 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1u37 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u37 n GLY 67 N 4.82 0.87 3.73 7.39 0.00 0.19 -4.97 105.19 117.21 1u37 n GLY 67 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1u37 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u37 s ASP 68 N -1.36 6.83 -1.18 1.61 1.01 -0.01 -4.63 116.67 118.94 1u37 s ASP 68 Ca 0.00 2.44 -0.14 0.00 0.71 0.00 0.00 52.55 55.56 1u37 s ASP 68 Cb 0.00 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.49 1u37 s ASP 68 CO 0.00 -0.59 1.41 -1.58 0.21 0.00 0.00 175.17 174.61 1u37 s GLN 69 N 0.12 4.04 0.50 8.23 0.74 -0.72 -1.55 119.66 131.04 1u37 s GLN 69 Ca 0.59 -2.49 -0.22 0.00 0.05 0.00 0.00 55.36 53.29 1u37 s GLN 69 Cb -0.38 -5.06 -0.07 0.00 1.10 0.00 0.00 33.01 28.60 1u37 s GLN 69 CO 0.37 -1.78 1.11 -0.89 -0.55 0.00 0.00 175.29 173.56 1u37 n ILE 70 N 4.73 3.13 -0.03 -2.34 5.41 -1.22 0.28 119.36 129.32 1u37 n ILE 70 Ca 0.36 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.57 1u37 n ILE 70 Cb 0.43 -1.33 -0.03 0.00 -0.71 0.00 0.00 39.64 38.01 1u37 n ILE 70 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1u37 n MET 71 N -0.47 0.57 -3.57 0.38 1.56 -0.57 -4.07 117.12 110.95 1u37 n MET 71 Ca 0.10 0.03 -0.14 0.00 -0.27 0.00 0.00 57.70 57.42 1u37 n MET 71 Cb 0.43 -1.12 -0.05 0.00 2.15 0.00 0.00 33.22 34.63 1u37 n MET 71 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1u37 s SER 72 N -4.43 -0.46 -0.14 6.12 0.15 -0.84 0.89 113.70 115.00 1u37 s SER 72 Ca -0.07 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1u37 s SER 72 Cb 0.02 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1u37 s SER 72 CO 0.14 -0.70 -0.17 -0.63 1.20 0.00 0.00 173.24 173.08 1u37 s ILE 73 N -2.28 1.71 -0.81 6.45 1.01 -0.18 -0.90 121.20 126.20 1u37 s ILE 73 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1u37 s ILE 73 Cb -0.01 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1u37 s ILE 73 CO -0.00 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.01 1u37 n ASN 74 N 4.50 -2.97 0.00 3.58 3.02 0.12 0.51 115.26 124.02 1u37 n ASN 74 Ca -0.19 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1u37 n ASN 74 Cb 0.51 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 1u37 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u37 n GLY 75 N -0.61 0.92 3.07 7.41 0.00 -1.24 -4.94 105.19 109.81 1u37 n GLY 75 Ca -0.10 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1u37 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u37 s THR 76 N -2.00 2.98 0.39 2.61 2.01 0.18 -5.09 115.64 116.72 1u37 s THR 76 Ca 0.00 -2.39 -0.26 0.00 0.31 0.00 0.00 61.69 59.35 1u37 s THR 76 Cb 0.00 -3.07 -0.11 0.00 0.01 0.00 0.00 72.50 69.33 1u37 s THR 76 CO 0.00 -0.70 1.09 -1.20 -0.69 0.00 0.00 174.62 173.12 1u37 n SER 77 N 4.20 1.67 -0.16 3.53 7.64 -1.26 -1.01 113.62 128.22 1u37 n SER 77 Ca 0.02 1.09 0.04 0.00 1.01 0.00 0.00 58.87 61.03 1u37 n SER 77 Cb 0.40 -1.38 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u37 n LEU 78 N 0.61 0.99 -4.71 -3.43 4.77 0.26 -4.88 117.00 110.62 1u37 n LEU 78 Ca 0.08 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 1u37 n LEU 78 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1u37 n LEU 78 CO 0.58 0.21 0.75 -0.69 -1.33 0.00 0.00 177.39 176.91 1u37 s VAL 79 N -1.37 4.64 0.00 4.08 1.01 -1.25 -3.37 120.40 124.14 1u37 s VAL 79 Ca 0.07 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1u37 s VAL 79 Cb 0.07 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1u37 s VAL 79 CO 0.25 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1u37 n GLY 80 N 3.02 3.32 3.88 4.51 0.00 -1.26 -5.04 105.19 113.62 1u37 n GLY 80 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1u37 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1u37 s LEU 81 N 0.00 4.36 0.00 0.99 2.34 -1.22 -5.10 118.68 120.06 1u37 s LEU 81 Ca 0.00 0.58 -0.11 0.00 0.06 0.00 0.00 54.13 54.66 1u37 s LEU 81 Cb 0.00 -2.73 0.17 0.00 -0.56 0.00 0.00 46.19 43.07 1u37 s LEU 81 CO 0.00 0.24 0.40 -0.81 -1.06 0.00 0.00 176.35 175.12 1u37 n PRO 82 N 1.05 -3.15 0.05 1.48 -0.04 -1.26 -4.83 135.00 128.29 1u37 n PRO 82 Ca -0.10 -0.67 -0.18 0.00 -0.04 0.00 0.00 63.50 62.50 1u37 n PRO 82 Cb 0.53 -0.84 -0.09 0.00 -0.04 0.00 0.00 33.50 33.06 1u37 n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1u37 h LEU 83 N 0.00 0.81 -1.08 1.53 5.85 -1.96 -3.15 115.31 117.31 1u37 h LEU 83 Ca -0.18 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.04 1u37 h LEU 83 Cb 0.59 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 1u37 h LEU 83 CO 0.11 1.45 0.62 0.77 -0.34 0.00 0.00 178.44 181.04 1u37 h SER 84 N 0.35 0.83 -0.13 1.25 4.64 -1.97 -0.51 113.55 118.01 1u37 h SER 84 Ca -0.12 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1u37 h SER 84 Cb 1.66 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1u37 h SER 84 CO 0.19 0.41 -0.06 0.74 -0.87 0.00 0.00 176.83 177.24 1u37 h THR 85 N 0.88 1.31 0.15 2.95 2.02 -1.91 -2.46 112.91 115.85 1u37 h THR 85 Ca 0.50 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1u37 h THR 85 Cb 0.63 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1u37 h THR 85 CO -0.27 0.32 -0.22 0.00 0.37 0.00 0.00 175.52 175.71 1u37 h GLN 87 N -0.43 -0.25 -0.95 0.00 7.50 -1.17 0.16 115.11 119.97 1u37 h GLN 87 Ca 0.02 0.02 0.22 0.00 0.50 0.00 0.00 58.65 59.40 1u37 h GLN 87 Cb 0.44 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.95 1u37 h GLN 87 CO -0.10 -0.17 0.62 0.66 -1.50 0.00 0.00 178.83 178.34 1u37 h SER 88 N -0.26 0.45 0.09 1.46 4.64 -1.06 0.44 113.55 119.31 1u37 h SER 88 Ca 0.16 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 1u37 h SER 88 Cb 0.51 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1u37 h SER 88 CO -0.47 0.16 -0.35 0.40 -0.87 0.00 0.00 176.83 175.71 1u37 h ILE 89 N 0.44 1.29 0.02 0.95 2.04 0.49 0.38 117.51 123.12 1u37 h ILE 89 Ca 0.51 -1.41 -0.25 0.00 1.00 0.00 0.00 64.86 64.71 1u37 h ILE 89 Cb 1.23 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1u37 h ILE 89 CO -0.22 0.43 -1.02 0.40 0.00 0.00 0.00 178.15 177.74 1u37 h ILE 90 N 0.31 1.37 0.01 -0.67 2.04 0.68 -3.19 117.51 118.06 1u37 h ILE 90 Ca 0.04 -2.44 -0.25 0.00 1.00 0.00 0.00 64.86 63.20 1u37 h ILE 90 Cb 0.76 2.48 0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1u37 h ILE 90 CO 0.06 0.74 -1.02 0.11 0.00 0.00 0.00 178.15 178.04 1u37 h LYS 91 N 0.26 0.59 0.00 2.37 6.56 -0.66 -3.14 116.57 122.56 1u37 h LYS 91 Ca -0.11 -0.65 0.00 0.00 -1.06 0.00 0.00 60.65 58.84 1u37 h LYS 91 Cb 1.67 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 33.52 1u37 h LYS 91 CO 0.18 1.25 0.00 0.78 -2.06 0.00 0.00 179.45 179.61 1u37 h GLY 92 N 0.71 0.00 -3.78 3.86 0.00 -0.30 -2.00 103.07 101.55 1u37 h GLY 92 Ca -0.11 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.62 1u37 h GLY 92 CO 0.19 0.00 0.10 1.47 0.00 0.00 0.00 176.54 178.30 1u37 n LEU 93 N -2.66 6.31 0.13 3.11 -0.00 -1.18 -4.59 117.00 118.12 1u37 n LEU 93 Ca -0.01 -4.44 0.01 0.00 -0.00 0.00 0.00 56.01 51.57 1u37 n LEU 93 Cb 0.10 -0.69 0.04 0.00 -0.00 0.00 0.00 43.42 42.87 1u37 n LEU 93 CO 0.17 1.72 0.44 0.50 -0.00 0.00 0.00 177.39 180.22 1u37 h LYS 94 N 2.00 0.00 -1.86 1.47 3.64 -1.48 -3.34 116.57 116.99 1u37 h LYS 94 Ca 0.49 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 59.29 1u37 h LYS 94 Cb 1.22 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.62 1u37 h LYS 94 CO 1.16 0.58 -0.73 0.09 -2.27 0.00 0.00 179.45 178.28 1u37 n ASN 95 N -3.29 4.34 -0.03 4.20 3.02 -1.26 0.62 115.26 122.86 1u37 n ASN 95 Ca 0.01 -3.64 -0.03 0.00 -0.03 0.00 0.00 54.58 50.90 1u37 n ASN 95 Cb 0.74 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u37 n GLN 96 N -0.33 3.05 -0.96 3.52 1.13 -1.25 -4.80 117.38 117.73 1u37 n GLN 96 Ca 0.34 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 1u37 n GLN 96 Cb 0.55 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1u37 n GLN 96 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1u37 n SER 97 N -2.20 -3.41 -3.61 1.08 7.64 -1.26 -4.94 113.62 106.92 1u37 n SER 97 Ca -0.09 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 1u37 n SER 97 Cb 0.68 -1.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 1u37 n SER 97 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u37 s ARG 98 N -0.77 0.62 -0.25 1.43 0.52 -1.21 -1.88 118.95 117.41 1u37 s ARG 98 Ca 0.00 0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 55.70 1u37 s ARG 98 Cb 0.00 0.30 0.09 0.00 0.52 0.00 0.00 34.95 35.85 1u37 s ARG 98 CO 0.00 -0.12 0.11 0.08 0.02 0.00 0.00 175.30 175.39 1u37 s VAL 99 N -0.17 0.08 -1.26 3.52 1.01 0.10 -4.88 120.40 118.80 1u37 s VAL 99 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1u37 s VAL 99 Cb -0.04 -0.95 0.17 0.00 0.00 0.00 0.00 36.38 35.56 1u37 s VAL 99 CO -0.02 -0.56 1.73 0.29 0.00 0.00 0.00 175.10 176.54 1u37 n LYS 100 N 5.20 3.52 -3.70 2.72 5.02 -1.25 -1.18 118.16 128.50 1u37 n LYS 100 Ca -0.06 -3.62 -0.37 0.00 -2.02 0.00 0.00 58.31 52.23 1u37 n LYS 100 Cb 0.44 -2.98 -0.12 0.00 -0.02 0.00 0.00 35.03 32.36 1u37 n LYS 100 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1u37 s LEU 101 N 0.53 3.78 -0.42 -0.35 2.34 0.18 0.12 118.68 124.87 1u37 s LEU 101 Ca 0.41 -0.33 -0.24 0.00 0.06 0.00 0.00 54.13 54.03 1u37 s LEU 101 Cb 0.05 -1.97 0.02 0.00 -0.56 0.00 0.00 46.19 43.73 1u37 s LEU 101 CO 0.00 -0.11 0.81 0.21 -1.06 0.00 0.00 176.35 176.21 1u37 s ASN 102 N 1.62 6.49 0.51 1.48 3.84 -0.08 -1.20 114.94 127.59 1u37 s ASN 102 Ca 0.06 0.13 0.08 0.00 0.21 0.00 0.00 52.86 53.33 1u37 s ASN 102 Cb -0.16 -2.40 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 1u37 s ASN 102 CO 0.05 -0.87 0.69 0.27 -2.79 0.00 0.00 177.10 174.46 1u37 s ILE 103 N 3.31 2.57 0.03 -5.21 -4.36 -0.49 -1.51 121.20 115.55 1u37 s ILE 103 Ca 0.32 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.78 1u37 s ILE 103 Cb -0.12 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1u37 s ILE 103 CO 0.21 0.00 -0.13 -0.69 0.24 0.00 0.00 174.94 174.57 1u37 s VAL 104 N -2.54 1.04 0.00 8.37 1.01 0.14 -1.72 120.40 126.71 1u37 s VAL 104 Ca 0.59 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1u37 s VAL 104 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1u37 s VAL 104 CO 0.36 0.04 0.36 0.54 0.00 0.00 0.00 175.10 176.40