#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 3.27 -0.15 -1.84 0.08 -1.26 -1.17 117.98 116.90 1u37 s PHE 18 Ca 0.00 0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 1u37 s PHE 18 Cb 0.00 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1u37 s PHE 18 CO 0.00 0.54 -0.03 0.21 -0.10 0.00 0.00 175.22 175.84 1u37 s LYS 19 N -2.31 1.18 -1.26 0.44 2.20 0.02 -4.94 119.74 115.07 1u37 s LYS 19 Ca 0.29 -0.39 -0.19 0.00 -0.36 0.00 0.00 55.97 55.32 1u37 s LYS 19 Cb -0.12 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1u37 s LYS 19 CO 0.22 -0.44 1.84 -0.40 -0.36 0.00 0.00 175.35 176.21 1u37 n ASP 20 N 4.95 4.19 -4.67 1.43 5.75 -1.26 -1.62 116.55 125.32 1u37 n ASP 20 Ca -0.11 -2.84 -0.42 0.00 -0.01 0.00 0.00 54.79 51.41 1u37 n ASP 20 Cb 0.48 -1.72 -0.03 0.00 -1.03 0.00 0.00 41.12 38.82 1u37 n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1u37 s VAL 21 N 6.42 3.65 -0.36 2.12 1.01 -0.38 -4.89 120.40 127.98 1u37 s VAL 21 Ca 0.58 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 1u37 s VAL 21 Cb 0.03 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1u37 s VAL 21 CO 0.09 -0.04 0.10 0.12 0.00 0.00 0.00 175.10 175.37 1u37 s PHE 22 N 3.22 3.53 -0.52 5.22 2.19 -1.22 -0.87 117.98 129.54 1u37 s PHE 22 Ca 0.68 -2.41 -0.17 0.00 0.33 0.00 0.00 56.93 55.36 1u37 s PHE 22 Cb -0.32 -2.81 0.09 0.00 -1.31 0.00 0.00 43.02 38.67 1u37 s PHE 22 CO 0.27 -0.92 0.53 0.42 1.83 0.00 0.00 175.22 177.34 1u37 s ILE 23 N 1.11 5.07 -0.34 3.12 -1.09 -0.31 -4.64 121.20 124.12 1u37 s ILE 23 Ca 0.05 -1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 57.33 1u37 s ILE 23 Cb -0.21 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1u37 s ILE 23 CO -0.04 -0.80 0.19 -0.70 -1.23 0.00 0.00 174.94 172.36 1u37 s GLU 24 N 2.04 3.17 0.17 2.79 -6.30 -1.26 0.10 118.70 119.41 1u37 s GLU 24 Ca 0.08 -0.85 0.03 0.00 -2.50 0.00 0.00 54.97 51.73 1u37 s GLU 24 Cb -0.24 -3.68 -0.01 0.00 0.00 0.00 0.00 34.13 30.20 1u37 s GLU 24 CO 0.07 -0.54 0.10 0.36 0.02 0.00 0.00 175.26 175.28 1u37 n LYS 25 N 5.02 0.44 -3.30 4.30 -0.00 -0.53 -4.93 118.16 119.15 1u37 n LYS 25 Ca -0.13 -1.54 -0.38 0.00 -0.00 0.00 0.00 58.31 56.26 1u37 n LYS 25 Cb 0.48 1.08 -0.06 0.00 -0.00 0.00 0.00 35.03 36.53 1u37 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1u37 s GLN 26 N -2.66 4.14 -0.25 -1.58 1.11 -1.26 -4.09 119.66 115.07 1u37 s GLN 26 Ca 0.14 0.68 -0.39 0.00 0.01 0.00 0.00 55.36 55.80 1u37 s GLN 26 Cb 0.01 -3.16 -0.15 0.00 -1.01 0.00 0.00 33.01 28.70 1u37 s GLN 26 CO 0.10 0.60 1.79 1.63 0.01 0.00 0.00 175.29 179.42 1u37 n LYS 27 N 1.49 1.35 0.00 2.91 5.02 -1.26 -1.37 118.16 126.30 1u37 n LYS 27 Ca -0.09 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1u37 n LYS 27 Cb 0.51 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 4.34 1.31 3.22 0.72 0.00 0.43 -4.93 105.19 110.28 1u37 n GLY 28 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.34 3.08 0.34 1.61 8.01 0.40 -4.91 118.70 126.90 1u37 s GLU 29 Ca 0.00 -0.84 -0.22 0.00 0.01 0.00 0.00 54.97 53.91 1u37 s GLU 29 Cb 0.00 -2.41 -0.10 0.00 -4.31 0.00 0.00 34.13 27.31 1u37 s GLU 29 CO 0.00 0.09 0.89 0.96 0.01 0.00 0.00 175.26 177.21 1u37 s ILE 30 N 0.57 4.37 0.33 -1.63 -4.36 -1.26 -4.28 121.20 114.93 1u37 s ILE 30 Ca -0.12 1.55 0.11 0.00 -0.26 0.00 0.00 60.65 61.93 1u37 s ILE 30 Cb -0.17 -3.82 0.32 0.00 1.25 0.00 0.00 42.46 40.04 1u37 s ILE 30 CO 0.04 -0.02 1.71 0.25 0.24 0.00 0.00 174.94 177.15 1u37 h LEU 31 N 2.73 0.62 0.00 0.37 6.46 -1.81 -3.40 115.31 120.28 1u37 h LEU 31 Ca -0.48 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1u37 h LEU 31 Cb 1.19 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1u37 h LEU 31 CO 0.64 0.04 0.00 0.61 -0.62 0.00 0.00 178.44 179.11 1u37 n GLY 32 N -1.31 0.77 3.58 3.75 0.00 -1.26 0.03 105.19 110.75 1u37 n GLY 32 Ca 0.28 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 4.68 -0.58 1.61 -7.23 -1.26 0.11 120.40 115.73 1u37 s VAL 33 Ca 0.00 -0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 1u37 s VAL 33 Cb 0.00 -3.14 0.14 0.00 0.56 0.00 0.00 36.38 33.95 1u37 s VAL 33 CO 0.00 0.42 0.53 -0.69 -0.31 0.00 0.00 175.10 175.04 1u37 s VAL 34 N 0.77 5.15 0.03 1.32 1.01 0.53 -4.96 120.40 124.25 1u37 s VAL 34 Ca 0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 1u37 s VAL 34 Cb -0.13 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1u37 s VAL 34 CO 0.02 -0.89 0.18 0.27 0.00 0.00 0.00 175.10 174.68 1u37 s ILE 35 N 1.32 5.29 0.17 2.22 -5.25 -1.25 0.55 121.20 124.26 1u37 s ILE 35 Ca 0.06 -0.33 0.06 0.00 -0.99 0.00 0.00 60.65 59.45 1u37 s ILE 35 Cb -0.26 -3.53 -0.05 0.00 2.95 0.00 0.00 42.46 41.58 1u37 s ILE 35 CO 0.01 0.23 -0.11 0.68 -1.79 0.00 0.00 174.94 173.95 1u37 s VAL 36 N -1.40 1.37 -0.26 8.37 -7.23 0.46 -4.74 120.40 116.97 1u37 s VAL 36 Ca 0.31 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 1u37 s VAL 36 Cb -0.13 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1u37 s VAL 36 CO 0.23 -0.67 2.23 -1.61 -0.31 0.00 0.00 175.10 174.97 1u37 s GLU 37 N -3.72 2.98 0.35 4.82 0.41 -1.26 0.10 118.70 122.39 1u37 s GLU 37 Ca 0.19 1.92 -0.28 0.00 -0.41 0.00 0.00 54.97 56.39 1u37 s GLU 37 Cb 0.02 -4.40 -0.11 0.00 -1.78 0.00 0.00 34.13 27.85 1u37 s GLU 37 CO 0.03 -2.27 1.49 0.45 -0.49 0.00 0.00 175.26 174.46 1u37 n SER 38 N 12.27 3.67 0.00 -0.19 2.88 -1.26 -4.87 113.62 126.11 1u37 n SER 38 Ca 0.31 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 59.05 1u37 n SER 38 Cb 0.46 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 1u37 n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u37 n GLY 39 N 0.86 -0.19 3.50 0.46 0.00 -1.26 -4.48 105.19 104.08 1u37 n GLY 39 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 -3.90 -2.70 1.61 2.14 -1.26 -5.02 117.44 108.26 1u37 n TRP 40 Ca 0.00 -1.12 -0.28 0.00 2.07 0.00 0.00 57.50 58.17 1u37 n TRP 40 Cb 0.17 -0.91 -0.02 0.00 -0.81 0.00 0.00 31.31 29.75 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 -2.80 5.80 0.04 -1.67 0.00 -1.26 -4.69 105.19 100.61 1u37 n GLY 41 Ca 0.15 -2.76 -0.05 0.00 0.00 0.00 0.00 46.02 43.36 1u37 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u37 n SER 42 N -0.35 3.33 -3.56 1.61 3.41 -1.26 -5.09 113.62 111.71 1u37 n SER 42 Ca 0.36 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1u37 n SER 42 Cb 0.49 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1u37 n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u37 s ILE 43 N -2.17 0.00 -0.29 -1.33 1.09 -1.26 -5.10 121.20 112.14 1u37 s ILE 43 Ca -0.10 -1.50 -0.30 0.00 -1.10 0.00 0.00 60.65 57.65 1u37 s ILE 43 Cb 0.03 -2.49 -0.07 0.00 -1.06 0.00 0.00 42.46 38.87 1u37 s ILE 43 CO 0.22 0.00 2.24 0.00 -0.10 0.00 0.00 174.94 177.30 1u37 n LEU 44 N -0.48 2.82 -4.65 2.97 -0.00 -1.26 -4.88 117.00 111.53 1u37 n LEU 44 Ca -0.01 0.20 -0.47 0.00 -0.00 0.00 0.00 56.01 55.73 1u37 n LEU 44 Cb 0.62 -1.47 -0.05 0.00 -0.00 0.00 0.00 43.42 42.52 1u37 n LEU 44 CO 0.27 -0.78 1.14 -2.65 -0.00 0.00 0.00 177.39 175.37 1u37 n PRO 45 N 8.63 1.93 0.24 1.47 -0.02 -1.26 -4.75 135.00 141.23 1u37 n PRO 45 Ca 0.34 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1u37 n PRO 45 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1u37 n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u37 n THR 46 N 3.29 0.00 -3.63 3.45 5.66 -1.26 -4.36 114.28 117.43 1u37 n THR 46 Ca 0.18 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.04 1u37 n THR 46 Cb 0.27 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.00 0.00 -0.18 1.08 -7.23 -1.25 -4.20 120.40 106.62 1u37 s VAL 47 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1u37 s VAL 47 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1u37 s VAL 47 CO 0.00 0.00 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.04 1u37 s ILE 48 N 0.35 1.63 -0.37 -0.62 1.01 0.28 -2.59 121.20 120.89 1u37 s ILE 48 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 1u37 s ILE 48 Cb -0.05 -1.65 -0.30 0.00 0.01 0.00 0.00 42.46 40.47 1u37 s ILE 48 CO 0.00 0.26 1.75 -0.38 0.00 0.00 0.00 174.94 176.57 1u37 n ILE 49 N 4.71 0.48 0.05 2.92 5.41 -1.05 -0.40 119.36 131.47 1u37 n ILE 49 Ca -0.15 -0.43 0.20 0.00 1.00 0.00 0.00 62.75 63.36 1u37 n ILE 49 Cb 0.48 -2.08 0.72 0.00 -0.71 0.00 0.00 39.64 38.05 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 9.77 2.34 -2.70 -1.39 0.00 -0.23 0.84 119.26 127.89 1u37 h ALA 50 Ca 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1u37 h ALA 50 Cb 0.75 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 1u37 h ALA 50 CO 1.85 -0.60 -0.34 -0.80 0.00 0.00 0.00 179.25 179.36 1u37 s ASN 51 N -6.01 0.03 -0.28 0.00 0.02 -0.62 -4.70 114.94 103.37 1u37 s ASN 51 Ca -0.05 -1.06 -0.20 0.00 -1.02 0.00 0.00 52.86 50.53 1u37 s ASN 51 Cb 0.18 0.47 0.12 0.00 0.02 0.00 0.00 41.25 42.04 1u37 s ASN 51 CO 0.67 -0.97 0.91 -0.32 0.02 0.00 0.00 177.10 177.42 1u37 s MET 52 N -4.05 0.54 0.08 -0.60 1.75 -1.26 -0.34 119.30 115.41 1u37 s MET 52 Ca 0.26 0.78 -0.34 0.00 -1.25 0.00 0.00 55.69 55.14 1u37 s MET 52 Cb 0.03 0.19 -0.14 0.00 2.84 0.00 0.00 34.83 37.75 1u37 s MET 52 CO 0.07 -0.09 1.63 -0.12 -0.65 0.00 0.00 175.02 175.87 1u37 n MET 53 N 3.17 2.01 -1.30 4.11 1.56 0.12 -4.82 117.12 121.96 1u37 n MET 53 Ca -0.16 0.73 -0.41 0.00 -0.27 0.00 0.00 57.70 57.59 1u37 n MET 53 Cb 0.57 -2.50 -0.04 0.00 2.15 0.00 0.00 33.22 33.40 1u37 n MET 53 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1u37 n HIS 54 N 4.19 2.36 0.00 1.12 -0.00 -1.26 -2.91 115.22 118.72 1u37 n HIS 54 Ca 0.19 -2.22 0.00 0.00 0.46 0.00 0.00 57.72 56.15 1u37 n HIS 54 Cb 0.27 -1.99 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1u37 n GLY 55 N 4.31 1.27 1.93 1.57 0.00 -1.26 -5.07 105.19 107.94 1u37 n GLY 55 Ca 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -3.57 0.30 -0.02 0.00 -1.14 -3.94 105.19 96.82 1u37 n GLY 56 Ca 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 0.32 -0.11 1.61 0.11 -1.76 0.62 132.00 132.78 1u37 h PRO 57 Ca -0.22 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.88 1u37 h PRO 57 Cb 0.75 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1u37 h PRO 57 CO 0.13 0.21 0.02 0.00 -0.21 0.00 0.00 178.00 178.15 1u37 h ALA 58 N 1.69 0.10 0.00 -0.75 0.00 -0.70 -0.18 119.26 119.42 1u37 h ALA 58 Ca 0.51 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.32 1u37 h ALA 58 Cb 0.94 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1u37 h ALA 58 CO -0.54 -0.44 -0.57 1.49 0.00 0.00 0.00 179.25 179.18 1u37 h GLU 59 N 0.06 0.00 -0.14 0.00 4.81 -1.36 -3.18 114.58 114.77 1u37 h GLU 59 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 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 0.57 0.06 0.87 -0.73 0.00 0.00 179.01 179.71 1u37 h LYS 60 N 0.00 0.21 -0.95 1.92 1.57 0.77 -2.77 116.57 117.32 1u37 h LYS 60 Ca -0.01 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1u37 h LYS 60 Cb 1.04 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.23 1u37 h LYS 60 CO 0.07 0.29 0.60 0.66 -0.57 0.00 0.00 179.45 180.51 1u37 h SER 61 N 0.08 0.72 0.00 0.86 4.64 -1.02 -3.46 113.55 115.36 1u37 h SER 61 Ca 0.05 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1u37 h SER 61 Cb 0.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1u37 h SER 61 CO -0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1u37 n GLY 62 N -1.40 0.40 0.85 -0.77 0.00 -1.04 -4.91 105.19 98.32 1u37 n GLY 62 Ca 0.20 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.99 0.10 -2.56 1.61 4.76 -1.26 -5.00 118.16 112.82 1u37 n LYS 63 Ca 0.00 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 1u37 n LYS 63 Cb 0.00 -0.68 -0.02 0.00 -1.84 0.00 0.00 35.03 32.49 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u37 s LEU 64 N -6.53 4.15 -0.04 -0.35 1.43 -1.26 -5.02 118.68 111.07 1u37 s LEU 64 Ca -0.07 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 1u37 s LEU 64 Cb 0.02 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1u37 s LEU 64 CO 0.09 -0.68 -0.12 0.20 0.23 0.00 0.00 176.35 176.06 1u37 s ASN 65 N 1.50 1.62 -0.25 2.29 0.01 -1.26 -4.48 114.94 114.36 1u37 s ASN 65 Ca 0.49 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 52.08 1u37 s ASN 65 Cb -0.18 -0.49 -0.13 0.00 0.41 0.00 0.00 41.25 40.85 1u37 s ASN 65 CO 0.11 0.09 0.98 -0.38 -1.51 0.00 0.00 177.10 176.39 1u37 n ILE 66 N 3.33 0.00 0.00 0.60 5.41 -1.26 -0.60 119.36 126.84 1u37 n ILE 66 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1u37 n ILE 66 Cb 0.53 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 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 2.27 0.62 3.66 7.39 0.00 0.29 -4.98 105.19 114.46 1u37 n GLY 67 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.73 7.03 -1.08 1.61 1.01 0.23 -4.71 116.67 118.04 1u37 s ASP 68 Ca 0.00 1.58 -0.22 0.00 0.71 0.00 0.00 52.55 54.62 1u37 s ASP 68 Cb 0.00 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1u37 s ASP 68 CO 0.00 -0.69 1.68 -1.58 0.21 0.00 0.00 175.17 174.79 1u37 s GLN 69 N 3.16 3.34 0.44 8.23 0.74 -0.61 -2.52 119.66 132.45 1u37 s GLN 69 Ca 0.51 -1.16 -0.25 0.00 0.05 0.00 0.00 55.36 54.50 1u37 s GLN 69 Cb -0.19 -5.33 -0.08 0.00 1.10 0.00 0.00 33.01 28.51 1u37 s GLN 69 CO 0.13 -2.67 1.37 0.42 -0.55 0.00 0.00 175.29 173.98 1u37 s ILE 70 N 6.57 2.30 -0.13 -2.34 1.01 -1.07 0.55 121.20 128.09 1u37 s ILE 70 Ca 0.56 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.47 1u37 s ILE 70 Cb -0.01 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 1u37 s ILE 70 CO -0.01 0.03 -0.11 0.80 0.00 0.00 0.00 174.94 175.65 1u37 n MET 71 N -0.17 0.31 -3.46 2.79 1.56 -0.60 -4.02 117.12 113.53 1u37 n MET 71 Ca 0.05 0.07 -0.14 0.00 -0.27 0.00 0.00 57.70 57.42 1u37 n MET 71 Cb 0.43 -1.25 -0.03 0.00 2.15 0.00 0.00 33.22 34.52 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 -5.23 -0.58 -0.13 6.12 1.04 -1.06 -0.75 113.70 113.11 1u37 s SER 72 Ca -0.17 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.49 1u37 s SER 72 Cb 0.04 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1u37 s SER 72 CO 0.29 -0.85 -0.21 -0.63 0.98 0.00 0.00 173.24 172.82 1u37 s ILE 73 N -2.96 1.97 -0.56 -1.02 1.01 -0.02 -1.28 121.20 118.33 1u37 s ILE 73 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1u37 s ILE 73 Cb -0.01 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1u37 s ILE 73 CO -0.06 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.00 1u37 n ASN 74 N 4.07 -2.48 0.00 3.58 3.02 0.16 0.10 115.26 123.71 1u37 n ASN 74 Ca -0.20 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1u37 n ASN 74 Cb 0.52 -2.20 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 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 -0.64 1.04 3.00 7.41 0.00 -1.22 -4.92 105.19 109.86 1u37 n GLY 75 Ca -0.08 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 2.45 0.32 2.61 2.01 0.29 -5.09 115.64 116.22 1u37 s THR 76 Ca 0.00 -2.73 -0.29 0.00 0.31 0.00 0.00 61.69 58.98 1u37 s THR 76 Cb 0.00 -2.76 -0.12 0.00 0.01 0.00 0.00 72.50 69.63 1u37 s THR 76 CO 0.00 -0.68 1.35 -0.24 -0.69 0.00 0.00 174.62 174.35 1u37 n SER 77 N 3.80 2.89 -0.62 3.53 2.88 -1.26 -0.84 113.62 124.00 1u37 n SER 77 Ca 0.04 1.19 0.07 0.00 -1.33 0.00 0.00 58.87 58.84 1u37 n SER 77 Cb 0.38 -1.49 0.11 0.00 -0.75 0.00 0.00 64.21 62.46 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1u37 n LEU 78 N 1.14 2.52 -4.69 2.46 4.77 0.07 -4.90 117.00 118.37 1u37 n LEU 78 Ca 0.06 -1.43 -0.42 0.00 -0.03 0.00 0.00 56.01 54.19 1u37 n LEU 78 Cb 0.35 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1u37 n LEU 78 CO 0.63 0.55 0.77 -0.69 -1.33 0.00 0.00 177.39 177.32 1u37 s VAL 79 N -1.05 4.80 0.00 4.08 1.01 -1.26 -3.42 120.40 124.56 1u37 s VAL 79 Ca 0.20 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.23 1u37 s VAL 79 Cb 0.12 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1u37 s VAL 79 CO 0.17 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1u37 n GLY 80 N 3.06 3.23 3.87 4.51 0.00 -1.26 -5.05 105.19 113.55 1u37 n GLY 80 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 4.27 1.16 0.99 2.34 -1.22 -5.09 118.68 121.14 1u37 s LEU 81 Ca 0.00 0.88 -0.16 0.00 0.06 0.00 0.00 54.13 54.91 1u37 s LEU 81 Cb 0.00 -3.34 0.27 0.00 -0.56 0.00 0.00 46.19 42.56 1u37 s LEU 81 CO 0.00 0.06 1.07 -2.16 -1.06 0.00 0.00 176.35 174.25 1u37 s PRO 82 N -2.33 -0.88 0.29 1.48 0.04 -1.26 -4.83 135.00 127.52 1u37 s PRO 82 Ca 0.40 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1u37 s PRO 82 Cb -0.13 -1.61 0.44 0.00 0.04 0.00 0.00 34.50 33.25 1u37 s PRO 82 CO 0.20 -3.56 1.88 1.25 0.04 0.00 0.00 177.00 176.82 1u37 h LEU 83 N -2.48 0.81 -0.56 -3.56 5.85 -1.97 -2.73 115.31 110.67 1u37 h LEU 83 Ca -0.51 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.20 1u37 h LEU 83 Cb 1.32 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1u37 h LEU 83 CO 0.44 0.71 0.17 0.77 -0.34 0.00 0.00 178.44 180.20 1u37 h SER 84 N 0.88 0.13 -0.39 1.25 4.64 -1.98 -0.02 113.55 118.07 1u37 h SER 84 Ca 0.21 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 1u37 h SER 84 Cb 0.14 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1u37 h SER 84 CO -0.02 0.09 0.06 0.74 -0.87 0.00 0.00 176.83 176.82 1u37 h THR 85 N 0.34 1.24 0.39 2.95 2.02 -1.85 -2.49 112.91 115.50 1u37 h THR 85 Ca 0.28 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1u37 h THR 85 Cb 0.36 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1u37 h THR 85 CO -0.32 0.30 -0.33 0.00 0.37 0.00 0.00 175.52 175.54 1u37 h GLN 87 N -0.72 -0.25 -1.00 0.00 7.50 -1.03 -0.14 115.11 119.48 1u37 h GLN 87 Ca -0.03 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.28 1u37 h GLN 87 Cb 0.63 0.06 -0.09 0.00 0.05 0.00 0.00 27.48 28.13 1u37 h GLN 87 CO -0.03 -0.16 0.62 0.77 -1.50 0.00 0.00 178.83 178.54 1u37 h SER 88 N -0.25 0.87 -0.60 1.46 0.02 -1.23 0.31 113.55 114.13 1u37 h SER 88 Ca 0.16 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1u37 h SER 88 Cb 0.51 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1u37 h SER 88 CO -0.48 0.43 0.31 0.40 -1.14 0.00 0.00 176.83 176.35 1u37 h ILE 89 N 0.91 1.20 0.07 3.27 2.04 0.43 0.27 117.51 125.70 1u37 h ILE 89 Ca 0.51 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 1u37 h ILE 89 Cb 0.61 0.38 0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1u37 h ILE 89 CO -0.29 0.23 -0.71 0.40 0.00 0.00 0.00 178.15 177.78 1u37 h ILE 90 N 0.88 1.47 -0.36 -0.67 2.04 -0.20 -3.22 117.51 117.45 1u37 h ILE 90 Ca 0.22 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 1u37 h ILE 90 Cb 0.07 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1u37 h ILE 90 CO -0.03 0.66 0.18 0.11 0.00 0.00 0.00 178.15 179.08 1u37 h LYS 91 N -0.24 0.50 0.00 2.37 6.56 -0.27 -1.76 116.57 123.72 1u37 h LYS 91 Ca -0.11 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1u37 h LYS 91 Cb 1.48 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 1u37 h LYS 91 CO 0.14 0.44 0.00 0.78 -2.06 0.00 0.00 179.45 178.74 1u37 h GLY 92 N 0.44 0.00 -3.13 3.86 0.00 -0.58 -1.10 103.07 102.55 1u37 h GLY 92 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 1u37 h GLY 92 CO -0.02 0.00 0.30 1.04 0.00 0.00 0.00 176.54 177.86 1u37 n LEU 93 N -2.66 5.07 0.05 3.11 4.77 -0.66 -4.23 117.00 122.45 1u37 n LEU 93 Ca -0.02 -2.65 0.13 0.00 -0.03 0.00 0.00 56.01 53.43 1u37 n LEU 93 Cb 0.05 -0.69 0.50 0.00 -2.33 0.00 0.00 43.42 40.95 1u37 n LEU 93 CO 0.15 0.75 0.90 1.17 -1.33 0.00 0.00 177.39 179.03 1u37 n LYS 94 N -0.27 0.12 -2.61 3.23 4.81 -0.42 -3.79 118.16 119.22 1u37 n LYS 94 Ca 0.33 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.79 1u37 n LYS 94 Cb 1.16 -1.65 0.02 0.00 0.02 0.00 0.00 35.03 34.58 1u37 n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1u37 n ASN 95 N -1.86 2.36 -0.05 3.14 3.02 -1.26 0.16 115.26 120.78 1u37 n ASN 95 Ca 0.06 -2.91 -0.05 0.00 -0.03 0.00 0.00 54.58 51.64 1u37 n ASN 95 Cb 0.35 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.25 1.88 -0.90 3.52 1.13 -1.25 -4.78 117.38 116.73 1u37 n GLN 96 Ca 0.17 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1u37 n GLN 96 Cb 0.79 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.92 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 -2.47 0.00 -3.60 1.08 7.64 -1.26 -4.93 113.62 110.08 1u37 n SER 97 Ca -0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.58 1u37 n SER 97 Cb 0.75 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.10 0.89 -0.25 1.43 0.52 -1.18 -1.46 118.95 118.81 1u37 s ARG 98 Ca 0.00 0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 55.94 1u37 s ARG 98 Cb 0.00 0.43 0.08 0.00 0.52 0.00 0.00 34.95 35.98 1u37 s ARG 98 CO 0.00 -0.16 0.11 0.08 0.02 0.00 0.00 175.30 175.35 1u37 s VAL 99 N -0.07 -0.00 -1.22 3.52 1.01 0.12 -4.87 120.40 118.88 1u37 s VAL 99 Ca -0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1u37 s VAL 99 Cb -0.04 -0.88 0.19 0.00 0.00 0.00 0.00 36.38 35.66 1u37 s VAL 99 CO 0.03 -0.55 1.59 0.29 0.00 0.00 0.00 175.10 176.47 1u37 n LYS 100 N 5.23 3.56 -3.78 2.72 5.02 -1.25 -1.16 118.16 128.51 1u37 n LYS 100 Ca -0.06 -3.82 -0.36 0.00 -2.02 0.00 0.00 58.31 52.04 1u37 n LYS 100 Cb 0.45 -2.92 -0.12 0.00 -0.02 0.00 0.00 35.03 32.41 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 0.36 3.44 -0.49 -0.35 2.34 -0.04 0.39 118.68 124.32 1u37 s LEU 101 Ca 0.40 -0.20 -0.23 0.00 0.06 0.00 0.00 54.13 54.16 1u37 s LEU 101 Cb 0.02 -1.92 0.04 0.00 -0.56 0.00 0.00 46.19 43.77 1u37 s LEU 101 CO 0.00 -0.02 0.82 0.20 -1.06 0.00 0.00 176.35 176.29 1u37 s ASN 102 N 1.55 6.36 0.49 1.48 -0.87 -0.41 -1.25 114.94 122.30 1u37 s ASN 102 Ca 0.06 -0.30 0.08 0.00 -1.57 0.00 0.00 52.86 51.13 1u37 s ASN 102 Cb -0.15 -2.39 0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1u37 s ASN 102 CO 0.03 -1.02 0.57 0.27 -2.57 0.00 0.00 177.10 174.38 1u37 s ILE 103 N 3.43 2.41 -0.09 0.60 -4.36 -0.64 -1.56 121.20 120.99 1u37 s ILE 103 Ca 0.28 -1.17 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 1u37 s ILE 103 Cb -0.13 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1u37 s ILE 103 CO 0.20 0.00 -0.18 -0.69 0.24 0.00 0.00 174.94 174.51 1u37 s VAL 104 N -2.55 1.63 -0.27 8.37 1.01 0.19 -0.80 120.40 127.98 1u37 s VAL 104 Ca 0.52 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1u37 s VAL 104 Cb -0.06 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1u37 s VAL 104 CO 0.32 0.47 0.57 -1.14 0.00 0.00 0.00 175.10 175.31