#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 2.17 -0.09 4.31 0.08 -1.26 -1.17 117.98 122.03 1u37 s PHE 18 Ca 0.00 1.46 -0.03 0.00 0.12 0.00 0.00 56.93 58.48 1u37 s PHE 18 Cb 0.00 -3.69 0.04 0.00 -0.57 0.00 0.00 43.02 38.80 1u37 s PHE 18 CO 0.00 -2.83 0.11 0.21 -0.10 0.00 0.00 175.22 172.61 1u37 s LYS 19 N -3.25 -0.00 -1.25 0.44 2.20 0.15 -4.89 119.74 113.13 1u37 s LYS 19 Ca 0.79 0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 56.58 1u37 s LYS 19 Cb -0.37 -0.65 0.01 0.00 -1.51 0.00 0.00 37.83 35.30 1u37 s LYS 19 CO 0.41 -0.39 1.82 -0.51 -0.36 0.00 0.00 175.35 176.31 1u37 s ASP 20 N 2.22 6.10 0.03 1.43 1.11 -1.26 -1.69 116.67 124.61 1u37 s ASP 20 Ca 0.04 -2.13 -0.30 0.00 0.18 0.00 0.00 52.55 50.34 1u37 s ASP 20 Cb -0.13 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.22 1u37 s ASP 20 CO -0.05 -1.96 1.32 -0.69 1.18 0.00 0.00 175.17 174.97 1u37 s VAL 21 N 7.02 3.79 -0.34 -1.27 1.01 -0.55 -4.91 120.40 125.15 1u37 s VAL 21 Ca 0.60 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.82 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 0.10 0.04 0.05 0.12 0.00 0.00 0.00 175.10 175.41 1u37 s PHE 22 N 1.78 3.59 -0.49 5.22 2.19 -1.23 -1.05 117.98 127.99 1u37 s PHE 22 Ca 0.62 -2.64 -0.16 0.00 0.33 0.00 0.00 56.93 55.08 1u37 s PHE 22 Cb -0.31 -2.72 0.09 0.00 -1.31 0.00 0.00 43.02 38.77 1u37 s PHE 22 CO 0.27 -0.93 0.43 0.42 1.83 0.00 0.00 175.22 177.25 1u37 s ILE 23 N 1.02 5.21 -0.36 3.12 -1.09 -0.00 -4.68 121.20 124.43 1u37 s ILE 23 Ca 0.05 -1.16 -0.12 0.00 -2.23 0.00 0.00 60.65 57.18 1u37 s ILE 23 Cb -0.20 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1u37 s ILE 23 CO -0.06 -0.67 0.23 -1.61 -1.23 0.00 0.00 174.94 171.60 1u37 s GLU 24 N 1.67 3.18 0.02 2.79 2.02 -1.26 0.59 118.70 127.70 1u37 s GLU 24 Ca 0.04 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1u37 s GLU 24 Cb -0.26 -3.77 -0.00 0.00 0.10 0.00 0.00 34.13 30.20 1u37 s GLU 24 CO 0.06 -0.57 0.01 0.36 0.02 0.00 0.00 175.26 175.14 1u37 n LYS 25 N 5.06 0.93 -3.65 1.61 2.85 -0.43 -4.94 118.16 119.60 1u37 n LYS 25 Ca -0.12 -0.18 -0.30 0.00 -1.05 0.00 0.00 58.31 56.65 1u37 n LYS 25 Cb 0.48 0.10 -0.04 0.00 -0.65 0.00 0.00 35.03 34.92 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 -2.08 3.59 0.32 -1.58 1.11 -1.26 -4.17 119.66 115.58 1u37 s GLN 26 Ca 0.01 -0.16 -0.29 0.00 0.01 0.00 0.00 55.36 54.93 1u37 s GLN 26 Cb 0.00 -2.83 -0.11 0.00 -1.01 0.00 0.00 33.01 29.06 1u37 s GLN 26 CO 0.01 0.43 1.54 0.15 0.01 0.00 0.00 175.29 177.42 1u37 s LYS 27 N -2.93 4.13 0.00 2.91 1.02 -1.26 -2.09 119.74 121.52 1u37 s LYS 27 Ca 0.41 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.95 1u37 s LYS 27 Cb -0.12 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1u37 s LYS 27 CO 0.26 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1u37 n GLY 28 N 1.52 0.75 3.23 -3.33 0.00 0.13 -4.91 105.19 102.58 1u37 n GLY 28 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.58 2.25 0.28 1.61 0.41 0.36 -4.91 118.70 118.13 1u37 s GLU 29 Ca 0.00 -0.81 -0.16 0.00 -0.41 0.00 0.00 54.97 53.59 1u37 s GLU 29 Cb 0.00 -1.95 -0.09 0.00 -1.78 0.00 0.00 34.13 30.32 1u37 s GLU 29 CO 0.00 0.36 0.71 0.96 -0.49 0.00 0.00 175.26 176.80 1u37 s ILE 30 N -0.16 4.67 0.28 -1.63 -4.36 -1.26 -4.14 121.20 114.60 1u37 s ILE 30 Ca -0.02 1.00 0.02 0.00 -0.26 0.00 0.00 60.65 61.39 1u37 s ILE 30 Cb -0.13 -3.68 0.28 0.00 1.25 0.00 0.00 42.46 40.19 1u37 s ILE 30 CO 0.03 -0.06 1.68 0.25 0.24 0.00 0.00 174.94 177.08 1u37 h LEU 31 N 2.64 0.20 0.00 0.37 6.46 -1.79 -3.42 115.31 119.76 1u37 h LEU 31 Ca -0.48 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1u37 h LEU 31 Cb 1.18 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1u37 h LEU 31 CO 0.66 -0.04 0.00 0.61 -0.62 0.00 0.00 178.44 179.04 1u37 n GLY 32 N -1.35 0.74 3.86 3.75 0.00 -1.26 -1.90 105.19 109.03 1u37 n GLY 32 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.12 5.25 -0.38 1.61 -7.23 -1.26 -0.02 120.40 116.25 1u37 s VAL 33 Ca 0.00 0.50 0.03 0.00 -1.81 0.00 0.00 61.98 60.69 1u37 s VAL 33 Cb 0.00 -3.57 0.11 0.00 0.56 0.00 0.00 36.38 33.48 1u37 s VAL 33 CO 0.00 0.55 0.11 -0.69 -0.31 0.00 0.00 175.10 174.76 1u37 s VAL 34 N -1.10 2.53 0.12 1.32 1.01 -0.22 -4.94 120.40 119.11 1u37 s VAL 34 Ca 0.21 -2.40 -0.02 0.00 0.00 0.00 0.00 61.98 59.77 1u37 s VAL 34 Cb -0.14 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1u37 s VAL 34 CO 0.10 -0.64 0.30 0.27 0.00 0.00 0.00 175.10 175.14 1u37 s ILE 35 N 0.81 5.27 0.23 2.22 -5.25 -1.25 0.66 121.20 123.90 1u37 s ILE 35 Ca 0.11 -0.25 0.05 0.00 -0.99 0.00 0.00 60.65 59.57 1u37 s ILE 35 Cb -0.20 -3.65 -0.05 0.00 2.95 0.00 0.00 42.46 41.50 1u37 s ILE 35 CO -0.06 0.04 -0.03 0.68 -1.79 0.00 0.00 174.94 173.77 1u37 s VAL 36 N -1.63 1.22 -0.44 8.37 -7.23 0.12 -4.75 120.40 116.05 1u37 s VAL 36 Ca 0.38 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.21 1u37 s VAL 36 Cb -0.12 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1u37 s VAL 36 CO 0.27 -0.38 2.14 -1.61 -0.31 0.00 0.00 175.10 175.21 1u37 s GLU 37 N -3.81 2.61 0.42 4.82 2.02 -1.26 0.52 118.70 124.02 1u37 s GLU 37 Ca 0.27 1.33 -0.25 0.00 0.02 0.00 0.00 54.97 56.34 1u37 s GLU 37 Cb 0.05 -4.44 -0.10 0.00 0.10 0.00 0.00 34.13 29.74 1u37 s GLU 37 CO 0.08 -2.71 1.21 -1.13 0.02 0.00 0.00 175.26 172.73 1u37 n SER 38 N 13.48 2.23 -2.69 -0.19 3.41 -1.26 -4.90 113.62 123.71 1u37 n SER 38 Ca 0.29 1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 59.92 1u37 n SER 38 Cb 0.51 -1.46 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1u37 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u37 n GLY 39 N 0.90 1.46 0.10 5.00 0.00 -1.26 -4.66 105.19 106.73 1u37 n GLY 39 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.43 -0.33 -2.33 1.61 2.14 -1.26 -5.06 117.44 111.78 1u37 n TRP 40 Ca 0.02 -0.07 -0.37 0.00 2.07 0.00 0.00 57.50 59.15 1u37 n TRP 40 Cb 0.84 -0.01 0.02 0.00 -0.81 0.00 0.00 31.31 31.35 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 4.83 5.80 3.45 -1.67 0.00 -1.26 -4.95 105.19 111.39 1u37 n GLY 41 Ca -0.00 -2.59 -0.15 0.00 0.00 0.00 0.00 46.02 43.28 1u37 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u37 s SER 42 N -1.79 -0.55 0.24 1.61 0.15 -1.26 -5.14 113.70 106.97 1u37 s SER 42 Ca 0.47 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1u37 s SER 42 Cb 0.34 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1u37 s SER 42 CO -0.27 -0.34 0.00 -0.38 1.20 0.00 0.00 173.24 173.46 1u37 n ILE 43 N 2.08 0.00 -3.06 6.45 -0.00 -1.26 -4.56 119.36 119.01 1u37 n ILE 43 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.18 1u37 n ILE 43 Cb 0.56 -0.17 -0.06 0.00 -0.00 0.00 0.00 39.64 39.98 1u37 n ILE 43 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1u37 s LEU 44 N 0.00 4.09 0.05 1.39 0.05 -1.26 -5.01 118.68 118.00 1u37 s LEU 44 Ca 0.00 0.83 -0.35 0.00 0.05 0.00 0.00 54.13 54.66 1u37 s LEU 44 Cb 0.00 -2.95 -0.14 0.00 -2.05 0.00 0.00 46.19 41.05 1u37 s LEU 44 CO 0.00 -0.37 1.59 -2.65 -0.55 0.00 0.00 176.35 174.37 1u37 n PRO 45 N 5.56 1.81 0.00 1.48 -0.02 -1.26 -4.79 135.00 137.77 1u37 n PRO 45 Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1u37 n PRO 45 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1u37 n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u37 n THR 46 N 3.64 0.00 -3.61 3.45 -2.24 -1.26 -4.35 114.28 109.91 1u37 n THR 46 Ca 0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.82 1u37 n THR 46 Cb 0.25 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 1u37 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u37 s VAL 47 N -0.82 0.00 -0.19 2.28 -7.23 -1.23 -4.21 120.40 109.00 1u37 s VAL 47 Ca 0.00 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 1u37 s VAL 47 Cb 0.00 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 36.00 1u37 s VAL 47 CO 0.00 -0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.96 1u37 s ILE 48 N -0.09 2.07 -0.37 -0.62 1.01 0.19 -2.09 121.20 121.29 1u37 s ILE 48 Ca -0.03 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.33 1u37 s ILE 48 Cb -0.04 -1.91 -0.29 0.00 0.01 0.00 0.00 42.46 40.24 1u37 s ILE 48 CO 0.03 0.48 1.75 -0.38 0.00 0.00 0.00 174.94 176.82 1u37 n ILE 49 N 4.60 0.61 0.02 2.92 5.41 -0.74 0.11 119.36 132.29 1u37 n ILE 49 Ca -0.20 -0.55 0.20 0.00 1.00 0.00 0.00 62.75 63.20 1u37 n ILE 49 Cb 0.49 -2.10 0.71 0.00 -0.71 0.00 0.00 39.64 38.03 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 9.53 2.42 -2.77 -1.39 0.00 -0.09 0.43 119.26 127.38 1u37 h ALA 50 Ca 0.28 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 1u37 h ALA 50 Cb 0.73 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 1u37 h ALA 50 CO 1.89 -0.65 -0.37 -0.80 0.00 0.00 0.00 179.25 179.32 1u37 s ASN 51 N -6.03 0.45 -0.29 0.00 0.02 -0.52 -4.77 114.94 103.80 1u37 s ASN 51 Ca -0.05 -1.33 -0.16 0.00 -1.02 0.00 0.00 52.86 50.30 1u37 s ASN 51 Cb 0.19 0.52 0.16 0.00 0.02 0.00 0.00 41.25 42.15 1u37 s ASN 51 CO 0.69 -1.06 1.05 -0.32 0.02 0.00 0.00 177.10 177.49 1u37 s MET 52 N -3.78 0.29 0.10 -0.60 1.75 -1.26 -1.06 119.30 114.74 1u37 s MET 52 Ca 0.33 0.51 -0.35 0.00 -1.25 0.00 0.00 55.69 54.92 1u37 s MET 52 Cb 0.03 0.07 -0.14 0.00 2.84 0.00 0.00 34.83 37.62 1u37 s MET 52 CO 0.15 -0.06 1.55 -0.12 -0.65 0.00 0.00 175.02 175.89 1u37 n MET 53 N 3.60 1.85 -2.52 4.11 1.56 0.98 -4.88 117.12 121.82 1u37 n MET 53 Ca -0.18 0.67 -0.41 0.00 -0.27 0.00 0.00 57.70 57.51 1u37 n MET 53 Cb 0.57 -2.41 -0.03 0.00 2.15 0.00 0.00 33.22 33.50 1u37 n MET 53 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1u37 s HIS 54 N 1.18 2.27 0.00 1.12 3.76 -1.26 -3.06 115.29 119.30 1u37 s HIS 54 Ca 0.82 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 1u37 s HIS 54 Cb -0.77 -4.61 0.00 0.00 1.11 0.00 0.00 32.58 28.32 1u37 s HIS 54 CO 0.42 -2.08 0.00 0.41 -0.85 0.00 0.00 174.74 172.65 1u37 n GLY 55 N 5.55 1.21 0.00 -2.22 0.00 -1.26 -5.09 105.19 103.37 1u37 n GLY 55 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.69 3.79 0.28 -0.02 0.00 -1.17 -4.81 105.19 101.57 1u37 n GLY 56 Ca 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 -0.50 -0.16 1.61 0.11 -1.81 1.19 132.00 132.44 1u37 h PRO 57 Ca 0.00 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.16 1u37 h PRO 57 Cb 0.00 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1u37 h PRO 57 CO 0.00 -0.33 0.02 0.00 -0.21 0.00 0.00 178.00 177.48 1u37 h ALA 58 N 0.15 0.15 0.00 -0.75 0.00 -1.70 -0.98 119.26 116.13 1u37 h ALA 58 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1u37 h ALA 58 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u37 h ALA 58 CO -0.06 -0.42 -0.32 1.49 0.00 0.00 0.00 179.25 179.94 1u37 h GLU 59 N 0.09 0.00 -0.11 0.00 4.81 -1.69 -2.99 114.58 114.68 1u37 h GLU 59 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u37 h GLU 59 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1u37 h GLU 59 CO -0.10 0.32 0.05 0.87 -0.73 0.00 0.00 179.01 179.42 1u37 h LYS 60 N 0.00 0.15 -0.99 1.92 1.79 0.26 -2.78 116.57 116.92 1u37 h LYS 60 Ca -0.00 -0.02 0.24 0.00 -2.18 0.00 0.00 60.65 58.69 1u37 h LYS 60 Cb 0.61 -0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.11 1u37 h LYS 60 CO 0.04 0.22 0.56 0.77 -1.08 0.00 0.00 179.45 179.97 1u37 h SER 61 N 0.05 0.62 0.00 0.86 0.02 -1.07 -3.46 113.55 110.58 1u37 h SER 61 Ca 0.04 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1u37 h SER 61 Cb 0.12 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1u37 h SER 61 CO -0.00 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 1u37 n GLY 62 N -1.31 0.52 1.40 -3.77 0.00 -1.05 -4.91 105.19 96.07 1u37 n GLY 62 Ca 0.26 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1u37 n GLY 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u37 n LYS 63 N -1.44 0.00 -2.32 1.61 0.00 -1.26 -5.03 118.16 109.72 1u37 n LYS 63 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1u37 n LYS 63 Cb 0.34 -0.20 -0.02 0.00 -0.00 0.00 0.00 35.03 35.14 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1u37 s LEU 64 N -4.76 3.49 -0.04 -5.58 1.43 -1.26 -4.99 118.68 106.97 1u37 s LEU 64 Ca 0.00 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1u37 s LEU 64 Cb 0.00 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 1u37 s LEU 64 CO 0.00 -1.62 -0.22 0.54 0.23 0.00 0.00 176.35 175.27 1u37 s ASN 65 N 4.54 3.34 -0.42 2.29 4.22 -1.26 -4.51 114.94 123.14 1u37 s ASN 65 Ca 0.59 -0.40 -0.38 0.00 -2.14 0.00 0.00 52.86 50.53 1u37 s ASN 65 Cb -0.13 -0.61 -0.16 0.00 1.28 0.00 0.00 41.25 41.63 1u37 s ASN 65 CO 0.29 0.31 1.57 -0.38 -2.04 0.00 0.00 177.10 176.85 1u37 n ILE 66 N 2.54 0.00 0.00 0.54 5.41 -1.26 -1.46 119.36 125.13 1u37 n ILE 66 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1u37 n ILE 66 Cb 0.52 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 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 4.84 1.29 3.72 7.39 0.00 0.14 -4.97 105.19 117.59 1u37 n GLY 67 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.21 7.00 -1.23 1.61 1.01 -0.54 -4.70 116.67 118.61 1u37 s ASP 68 Ca 0.00 2.13 -0.14 0.00 0.71 0.00 0.00 52.55 55.25 1u37 s ASP 68 Cb 0.00 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.50 1u37 s ASP 68 CO 0.00 -0.52 1.48 1.67 0.21 0.00 0.00 175.17 178.01 1u37 n GLN 69 N 3.84 3.34 -1.68 8.23 0.00 -0.86 -1.79 117.38 128.46 1u37 n GLN 69 Ca 0.09 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.00 52.91 1u37 n GLN 69 Cb 0.45 -3.11 0.00 0.00 0.00 0.00 0.00 30.24 27.59 1u37 n GLN 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1u37 n ILE 70 N 4.86 2.34 -0.02 1.69 5.41 -0.89 -1.77 119.36 130.98 1u37 n ILE 70 Ca 0.39 -0.50 -0.03 0.00 1.00 0.00 0.00 62.75 63.61 1u37 n ILE 70 Cb 0.43 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 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 0.25 2.09 -3.65 0.38 1.56 -0.67 -3.56 117.12 113.52 1u37 n MET 71 Ca 0.06 0.01 -0.14 0.00 -0.27 0.00 0.00 57.70 57.36 1u37 n MET 71 Cb 0.38 -1.10 -0.07 0.00 2.15 0.00 0.00 33.22 34.58 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1u37 s SER 72 N -3.89 -0.36 -0.12 6.12 1.04 -0.81 0.10 113.70 115.79 1u37 s SER 72 Ca -0.04 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1u37 s SER 72 Cb 0.01 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1u37 s SER 72 CO 0.15 -0.58 -0.14 -0.63 0.98 0.00 0.00 173.24 173.01 1u37 s ILE 73 N -1.77 1.47 -0.55 -1.02 1.01 0.76 -0.62 121.20 120.48 1u37 s ILE 73 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1u37 s ILE 73 Cb -0.02 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1u37 s ILE 73 CO 0.03 0.44 0.00 0.59 0.00 0.00 0.00 174.94 176.00 1u37 n ASN 74 N 4.38 -2.41 0.00 3.58 3.02 0.17 0.74 115.26 124.74 1u37 n ASN 74 Ca -0.18 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1u37 n ASN 74 Cb 0.51 -2.15 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 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 1.01 2.92 7.41 0.00 -1.22 -4.90 105.19 109.80 1u37 n GLY 75 Ca -0.07 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 2.06 0.14 2.61 2.01 0.23 -5.10 115.64 115.59 1u37 s THR 76 Ca 0.00 -2.55 -0.31 0.00 0.31 0.00 0.00 61.69 59.14 1u37 s THR 76 Cb 0.00 -2.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.94 1u37 s THR 76 CO 0.00 -0.71 1.40 -0.94 -0.69 0.00 0.00 174.62 173.67 1u37 s SER 77 N 0.55 6.81 -0.12 3.53 1.04 -1.26 -0.17 113.70 124.07 1u37 s SER 77 Ca 0.14 2.38 0.15 0.00 0.48 0.00 0.00 55.95 59.10 1u37 s SER 77 Cb -0.22 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 63.97 1u37 s SER 77 CO -0.07 -0.65 1.54 0.18 0.98 0.00 0.00 173.24 175.23 1u37 n LEU 78 N 3.68 4.44 -4.59 2.42 4.32 0.28 -4.88 117.00 122.67 1u37 n LEU 78 Ca 0.11 -2.25 -0.43 0.00 -0.02 0.00 0.00 56.01 53.43 1u37 n LEU 78 Cb 0.42 -0.57 -0.02 0.00 -1.62 0.00 0.00 43.42 41.63 1u37 n LEU 78 CO 0.59 0.70 1.35 -0.69 -1.22 0.00 0.00 177.39 178.11 1u37 s VAL 79 N -1.95 3.73 0.00 4.08 1.01 -1.25 -2.87 120.40 123.16 1u37 s VAL 79 Ca 0.46 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1u37 s VAL 79 Cb 0.31 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1u37 s VAL 79 CO 0.20 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1u37 n GLY 80 N 5.24 2.35 3.81 4.51 0.00 -1.26 -5.08 105.19 114.76 1u37 n GLY 80 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 1.28 0.99 2.34 -1.14 -5.07 118.68 121.45 1u37 s LEU 81 Ca 0.00 1.51 -0.20 0.00 0.06 0.00 0.00 54.13 55.50 1u37 s LEU 81 Cb 0.00 -3.65 0.31 0.00 -0.56 0.00 0.00 46.19 42.30 1u37 s LEU 81 CO 0.00 0.03 1.05 -2.16 -1.06 0.00 0.00 176.35 174.20 1u37 s PRO 82 N -1.93 -1.81 0.34 1.48 0.04 -1.26 -4.81 135.00 127.04 1u37 s PRO 82 Ca 0.44 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.55 1u37 s PRO 82 Cb -0.17 -1.52 0.61 0.00 0.04 0.00 0.00 34.50 33.45 1u37 s PRO 82 CO 0.22 -4.12 1.87 1.25 0.04 0.00 0.00 177.00 176.26 1u37 h LEU 83 N -2.88 0.47 -0.40 -3.56 5.85 -1.96 -2.81 115.31 110.02 1u37 h LEU 83 Ca -0.45 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.25 1u37 h LEU 83 Cb 1.31 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1u37 h LEU 83 CO 0.33 0.56 0.02 -1.28 -0.34 0.00 0.00 178.44 177.72 1u37 h SER 84 N 0.47 -0.13 -0.32 1.25 0.87 -1.98 0.10 113.55 113.82 1u37 h SER 84 Ca 0.10 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1u37 h SER 84 Cb 0.36 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1u37 h SER 84 CO 0.01 -0.03 0.02 0.74 -0.53 0.00 0.00 176.83 177.04 1u37 h THR 85 N 0.13 1.25 0.22 2.23 2.02 -1.87 -2.47 112.91 114.43 1u37 h THR 85 Ca 0.20 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1u37 h THR 85 Cb 0.27 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1u37 h THR 85 CO -0.31 0.30 -0.25 0.00 0.37 0.00 0.00 175.52 175.62 1u37 h GLN 87 N -0.52 -0.23 -0.76 0.00 7.50 -0.82 0.61 115.11 120.89 1u37 h GLN 87 Ca 0.00 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.31 1u37 h GLN 87 Cb 0.49 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.02 1u37 h GLN 87 CO -0.07 -0.15 0.51 0.77 -1.50 0.00 0.00 178.83 178.38 1u37 h SER 88 N -0.24 0.42 -0.26 1.46 0.02 -1.12 -0.54 113.55 113.29 1u37 h SER 88 Ca 0.16 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1u37 h SER 88 Cb 0.49 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1u37 h SER 88 CO -0.46 0.22 0.08 0.40 -1.14 0.00 0.00 176.83 175.93 1u37 h ILE 89 N 0.45 1.20 -0.44 3.27 2.04 0.55 0.46 117.51 125.04 1u37 h ILE 89 Ca 0.37 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1u37 h ILE 89 Cb 0.81 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1u37 h ILE 89 CO -0.12 0.20 0.21 0.40 0.00 0.00 0.00 178.15 178.84 1u37 h ILE 90 N 0.26 1.15 -0.31 -0.67 2.04 -0.43 -2.33 117.51 117.23 1u37 h ILE 90 Ca 0.09 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1u37 h ILE 90 Cb 0.23 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1u37 h ILE 90 CO -0.00 0.18 -0.15 0.11 0.00 0.00 0.00 178.15 178.29 1u37 h LYS 91 N 0.62 0.65 0.00 2.37 1.79 -0.65 -2.74 116.57 118.60 1u37 h LYS 91 Ca 0.16 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1u37 h LYS 91 Cb 0.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1u37 h LYS 91 CO -0.02 0.87 0.00 0.78 -1.08 0.00 0.00 179.45 180.00 1u37 h GLY 92 N 0.41 0.00 -3.49 3.86 0.00 -0.37 -2.55 103.07 100.92 1u37 h GLY 92 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.03 1u37 h GLY 92 CO 0.04 0.00 0.48 1.04 0.00 0.00 0.00 176.54 178.10 1u37 n LEU 93 N -2.51 6.44 0.13 3.11 4.77 -1.03 -4.32 117.00 123.59 1u37 n LEU 93 Ca -0.01 -3.35 -0.24 0.00 -0.03 0.00 0.00 56.01 52.38 1u37 n LEU 93 Cb 0.08 -0.99 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 1u37 n LEU 93 CO 0.14 1.20 -0.26 0.50 -1.33 0.00 0.00 177.39 177.64 1u37 h LYS 94 N 1.41 0.50 -2.12 3.23 3.64 -1.61 -3.37 116.57 118.24 1u37 h LYS 94 Ca 0.35 -0.85 -0.55 0.00 -1.27 0.00 0.00 60.65 58.32 1u37 h LYS 94 Cb 1.07 0.32 -0.41 0.00 -0.41 0.00 0.00 32.23 32.80 1u37 h LYS 94 CO 0.86 1.41 -0.82 0.27 -2.27 0.00 0.00 179.45 178.90 1u37 n ASN 95 N -3.74 3.42 -0.06 4.20 0.23 -1.26 0.14 115.26 118.18 1u37 n ASN 95 Ca -0.18 -3.48 -0.07 0.00 -0.53 0.00 0.00 54.58 50.32 1u37 n ASN 95 Cb 1.08 -0.57 -0.07 0.00 -2.08 0.00 0.00 39.78 38.14 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u37 n GLN 96 N -0.11 1.21 0.00 -3.83 -0.00 -1.26 -4.81 117.38 108.58 1u37 n GLN 96 Ca 0.29 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 1u37 n GLN 96 Cb 0.49 -1.27 0.00 0.00 -0.00 0.00 0.00 30.24 29.46 1u37 n GLN 96 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1u37 n SER 97 N -2.67 0.00 -3.63 2.61 7.64 -1.26 -4.95 113.62 111.36 1u37 n SER 97 Ca -0.21 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.51 1u37 n SER 97 Cb 0.79 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.07 0.89 -0.25 1.43 0.52 -1.23 -1.31 118.95 118.91 1u37 s ARG 98 Ca 0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1u37 s ARG 98 Cb 0.00 0.41 0.09 0.00 0.52 0.00 0.00 34.95 35.97 1u37 s ARG 98 CO 0.00 -0.27 0.12 0.08 0.02 0.00 0.00 175.30 175.25 1u37 s VAL 99 N -1.28 -0.08 -1.18 3.52 1.01 0.20 -4.88 120.40 117.71 1u37 s VAL 99 Ca -0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1u37 s VAL 99 Cb -0.02 -0.85 0.22 0.00 0.00 0.00 0.00 36.38 35.72 1u37 s VAL 99 CO 0.07 -0.59 1.41 0.29 0.00 0.00 0.00 175.10 176.28 1u37 n LYS 100 N 5.26 3.58 -3.77 2.72 5.02 -1.25 -0.82 118.16 128.90 1u37 n LYS 100 Ca -0.06 -4.07 -0.36 0.00 -2.02 0.00 0.00 58.31 51.80 1u37 n LYS 100 Cb 0.44 -2.82 -0.12 0.00 -0.02 0.00 0.00 35.03 32.52 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 -0.03 3.59 -0.53 -0.35 2.34 -0.21 0.41 118.68 123.90 1u37 s LEU 101 Ca 0.37 -0.13 -0.24 0.00 0.06 0.00 0.00 54.13 54.19 1u37 s LEU 101 Cb -0.02 -1.96 0.04 0.00 -0.56 0.00 0.00 46.19 43.68 1u37 s LEU 101 CO -0.01 -0.01 0.91 0.21 -1.06 0.00 0.00 176.35 176.39 1u37 s ASN 102 N 1.46 6.36 0.48 1.48 3.04 0.21 -1.48 114.94 126.49 1u37 s ASN 102 Ca 0.06 -0.29 0.07 0.00 0.04 0.00 0.00 52.86 52.74 1u37 s ASN 102 Cb -0.15 -2.42 0.02 0.00 -1.54 0.00 0.00 41.25 37.15 1u37 s ASN 102 CO 0.05 -1.15 0.46 0.27 -3.04 0.00 0.00 177.10 173.68 1u37 s ILE 103 N 3.78 2.27 -0.01 -5.21 -4.36 -0.68 -1.67 121.20 115.32 1u37 s ILE 103 Ca 0.30 -1.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.41 1u37 s ILE 103 Cb -0.13 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 1u37 s ILE 103 CO 0.20 0.00 -0.14 0.68 0.24 0.00 0.00 174.94 175.92 1u37 s VAL 104 N -2.59 1.13 0.00 8.37 -7.23 -0.73 0.34 120.40 119.69 1u37 s VAL 104 Ca 0.46 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1u37 s VAL 104 Cb -0.03 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1u37 s VAL 104 CO 0.28 0.32 0.00 -1.14 -0.31 0.00 0.00 175.10 174.25