#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 3.01 -0.14 -0.32 0.08 -1.26 -1.40 117.98 117.95 1u37 s PHE 18 Ca 0.00 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.45 1u37 s PHE 18 Cb 0.00 -3.31 0.04 0.00 -0.57 0.00 0.00 43.02 39.18 1u37 s PHE 18 CO 0.00 -1.24 0.45 -1.59 -0.10 0.00 0.00 175.22 172.74 1u37 s LYS 19 N -2.59 0.61 -1.26 0.44 0.00 -0.70 -4.97 119.74 111.26 1u37 s LYS 19 Ca 0.61 0.46 -0.10 0.00 0.00 0.00 0.00 55.97 56.94 1u37 s LYS 19 Cb -0.27 0.29 0.17 0.00 0.00 0.00 0.00 37.83 38.02 1u37 s LYS 19 CO 0.33 -0.11 1.77 -0.25 0.00 0.00 0.00 175.35 177.10 1u37 n ASP 20 N 2.39 5.12 -4.68 0.03 8.00 -1.26 -1.98 116.55 124.17 1u37 n ASP 20 Ca -0.15 -3.08 -0.44 0.00 0.71 0.00 0.00 54.79 51.82 1u37 n ASP 20 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.13 1u37 n ASP 20 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1u37 n VAL 21 N 3.62 0.30 -3.91 2.53 0.31 -0.09 -4.80 118.33 116.28 1u37 n VAL 21 Ca 0.39 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 64.33 1u37 n VAL 21 Cb 0.38 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.24 1u37 n VAL 21 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1u37 s PHE 22 N 2.45 3.51 -0.49 3.52 2.19 -1.22 -0.72 117.98 127.23 1u37 s PHE 22 Ca 0.83 -2.41 -0.15 0.00 0.33 0.00 0.00 56.93 55.52 1u37 s PHE 22 Cb -0.57 -2.70 0.09 0.00 -1.31 0.00 0.00 43.02 38.53 1u37 s PHE 22 CO 0.40 -0.91 0.42 0.42 1.83 0.00 0.00 175.22 177.38 1u37 s ILE 23 N 1.10 5.18 -0.19 3.12 -1.09 -0.11 -4.65 121.20 124.57 1u37 s ILE 23 Ca 0.03 -1.22 -0.09 0.00 -2.23 0.00 0.00 60.65 57.14 1u37 s ILE 23 Cb -0.21 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.46 1u37 s ILE 23 CO -0.04 -0.67 0.13 -0.70 -1.23 0.00 0.00 174.94 172.43 1u37 s GLU 24 N 1.62 4.07 0.11 2.79 -6.30 -1.26 0.23 118.70 119.96 1u37 s GLU 24 Ca 0.04 -0.21 -0.02 0.00 -2.50 0.00 0.00 54.97 52.28 1u37 s GLU 24 Cb -0.26 -3.38 0.01 0.00 0.00 0.00 0.00 34.13 30.50 1u37 s GLU 24 CO 0.05 0.38 0.18 0.36 0.02 0.00 0.00 175.26 176.25 1u37 n LYS 25 N 3.28 0.26 -3.62 4.30 -0.00 -0.89 -4.85 118.16 116.64 1u37 n LYS 25 Ca -0.17 -0.75 -0.34 0.00 -0.00 0.00 0.00 58.31 57.05 1u37 n LYS 25 Cb 0.52 0.80 -0.05 0.00 -0.00 0.00 0.00 35.03 36.30 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 -2.14 3.72 -0.15 -1.58 -1.52 -1.26 -4.12 119.66 112.61 1u37 s GLN 26 Ca 0.07 0.11 -0.38 0.00 -1.95 0.00 0.00 55.36 53.21 1u37 s GLN 26 Cb -0.01 -3.00 -0.15 0.00 -0.22 0.00 0.00 33.01 29.62 1u37 s GLN 26 CO 0.05 0.57 1.66 1.63 -0.25 0.00 0.00 175.29 178.95 1u37 n LYS 27 N 0.90 1.32 0.00 2.91 4.01 -1.26 -1.30 118.16 124.74 1u37 n LYS 27 Ca -0.08 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 1u37 n LYS 27 Cb 0.52 -2.18 0.00 0.00 -0.51 0.00 0.00 35.03 32.87 1u37 n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u37 n GLY 28 N 3.78 1.10 3.09 0.72 0.00 0.37 -4.87 105.19 109.37 1u37 n GLY 28 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.30 2.77 0.48 1.61 0.41 0.34 -4.89 118.70 119.12 1u37 s GLU 29 Ca 0.00 -0.76 -0.20 0.00 -0.41 0.00 0.00 54.97 53.60 1u37 s GLU 29 Cb 0.00 -2.44 -0.09 0.00 -1.78 0.00 0.00 34.13 29.82 1u37 s GLU 29 CO 0.00 -0.23 1.00 0.96 -0.49 0.00 0.00 175.26 176.50 1u37 s ILE 30 N 1.34 4.15 0.19 -1.63 -4.36 -1.26 -4.34 121.20 115.29 1u37 s ILE 30 Ca 0.05 1.26 -0.18 0.00 -0.26 0.00 0.00 60.65 61.52 1u37 s ILE 30 Cb -0.13 -3.55 0.16 0.00 1.25 0.00 0.00 42.46 40.19 1u37 s ILE 30 CO -0.12 -0.36 1.61 0.25 0.24 0.00 0.00 174.94 176.56 1u37 h LEU 31 N 1.52 -0.86 0.00 0.37 6.46 -1.77 -3.40 115.31 117.62 1u37 h LEU 31 Ca -0.49 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1u37 h LEU 31 Cb 1.20 0.47 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 1u37 h LEU 31 CO 0.60 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.77 1u37 n GLY 32 N -1.43 0.65 3.64 3.75 0.00 -1.26 0.64 105.19 111.19 1u37 n GLY 32 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 5.18 -0.61 1.61 -7.23 -1.26 -0.55 120.40 115.54 1u37 s VAL 33 Ca 0.00 0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 60.67 1u37 s VAL 33 Cb 0.00 -3.73 0.13 0.00 0.56 0.00 0.00 36.38 33.34 1u37 s VAL 33 CO 0.00 0.20 0.64 -0.69 -0.31 0.00 0.00 175.10 174.95 1u37 s VAL 34 N 1.68 5.05 0.14 1.32 1.01 0.35 -4.98 120.40 124.97 1u37 s VAL 34 Ca 0.18 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 1u37 s VAL 34 Cb -0.15 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1u37 s VAL 34 CO 0.09 -1.03 0.37 0.27 0.00 0.00 0.00 175.10 174.80 1u37 s ILE 35 N 2.00 5.17 0.11 2.22 -5.25 -1.25 0.35 121.20 124.55 1u37 s ILE 35 Ca 0.09 0.03 0.03 0.00 -0.99 0.00 0.00 60.65 59.82 1u37 s ILE 35 Cb -0.24 -3.62 -0.04 0.00 2.95 0.00 0.00 42.46 41.50 1u37 s ILE 35 CO 0.03 0.05 -0.09 0.68 -1.79 0.00 0.00 174.94 173.82 1u37 s VAL 36 N -1.65 0.89 -0.25 8.37 -7.23 0.85 -4.74 120.40 116.64 1u37 s VAL 36 Ca 0.41 -1.81 -0.33 0.00 -1.81 0.00 0.00 61.98 58.44 1u37 s VAL 36 Cb -0.12 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 1u37 s VAL 36 CO 0.24 -0.70 2.14 1.21 -0.31 0.00 0.00 175.10 177.69 1u37 n GLU 37 N 0.23 1.59 -1.96 4.82 2.13 -1.26 0.65 120.64 126.83 1u37 n GLU 37 Ca -0.14 0.47 -0.41 0.00 0.66 0.00 0.00 57.16 57.75 1u37 n GLU 37 Cb 0.59 -2.77 -0.01 0.00 0.27 0.00 0.00 31.44 29.52 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1u37 s SER 38 N 7.04 6.57 0.00 4.31 1.04 -1.26 -4.85 113.70 126.56 1u37 s SER 38 Ca 1.03 2.84 0.00 0.00 0.48 0.00 0.00 55.95 60.30 1u37 s SER 38 Cb -0.65 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 62.82 1u37 s SER 38 CO 0.45 -0.71 0.03 0.61 0.98 0.00 0.00 173.24 174.60 1u37 n GLY 39 N 0.91 0.87 3.70 7.32 0.00 -1.26 -4.64 105.19 112.10 1u37 n GLY 39 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1u37 n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u37 s TRP 40 N -0.61 1.13 -0.58 1.61 -2.14 -1.26 -5.00 118.94 112.08 1u37 s TRP 40 Ca 0.00 0.54 0.04 0.00 2.66 0.00 0.00 56.10 59.34 1u37 s TRP 40 Cb 0.00 -3.58 0.38 0.00 -3.10 0.00 0.00 33.47 27.17 1u37 s TRP 40 CO 0.00 -3.34 1.23 0.41 -2.66 0.00 0.00 176.95 172.59 1u37 n GLY 41 N -1.74 5.84 0.07 3.67 0.00 -1.26 -4.66 105.19 107.11 1u37 n GLY 41 Ca 0.12 -2.73 -0.08 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.38 2.46 -3.80 1.61 7.64 -1.26 -5.07 113.62 114.82 1u37 n SER 42 Ca 0.39 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 60.13 1u37 n SER 42 Cb 0.49 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 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 -2.30 0.00 -0.31 0.44 1.09 -1.26 -5.10 121.20 113.77 1u37 s ILE 43 Ca -0.14 -1.35 -0.31 0.00 -1.10 0.00 0.00 60.65 57.75 1u37 s ILE 43 Cb 0.04 -2.29 -0.08 0.00 -1.06 0.00 0.00 42.46 39.07 1u37 s ILE 43 CO 0.42 0.00 2.23 0.00 -0.10 0.00 0.00 174.94 177.49 1u37 n LEU 44 N -0.43 2.66 -4.70 2.97 -0.00 -1.26 -4.82 117.00 111.42 1u37 n LEU 44 Ca -0.02 0.24 -0.58 0.00 -0.00 0.00 0.00 56.01 55.65 1u37 n LEU 44 Cb 0.61 -1.42 -0.07 0.00 -0.00 0.00 0.00 43.42 42.54 1u37 n LEU 44 CO 0.23 -0.77 1.35 -2.65 -0.00 0.00 0.00 177.39 175.55 1u37 n PRO 45 N 8.54 1.09 0.00 1.47 -0.02 -1.26 -4.79 135.00 140.03 1u37 n PRO 45 Ca 0.36 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1u37 n PRO 45 Cb 0.35 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 4.71 0.00 -3.63 3.45 -2.24 -1.26 -4.26 114.28 111.05 1u37 n THR 46 Ca 0.28 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1u37 n THR 46 Cb 0.12 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.93 0.00 -0.21 2.28 -7.23 -1.24 -4.21 120.40 108.87 1u37 s VAL 47 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1u37 s VAL 47 Cb 0.00 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1u37 s VAL 47 CO 0.00 0.00 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.05 1u37 s ILE 48 N 0.68 2.70 -0.40 -0.62 1.01 0.21 -1.59 121.20 123.19 1u37 s ILE 48 Ca -0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 1u37 s ILE 48 Cb -0.05 -2.23 -0.27 0.00 0.01 0.00 0.00 42.46 39.92 1u37 s ILE 48 CO -0.04 0.43 1.76 -0.38 0.00 0.00 0.00 174.94 176.71 1u37 n ILE 49 N 4.69 0.83 -0.27 2.92 5.41 -0.91 -0.10 119.36 131.93 1u37 n ILE 49 Ca -0.19 -0.73 0.24 0.00 1.00 0.00 0.00 62.75 63.07 1u37 n ILE 49 Cb 0.50 -2.14 0.58 0.00 -0.71 0.00 0.00 39.64 37.86 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 9.16 2.44 -2.07 -1.39 0.00 -0.43 0.30 119.26 127.27 1u37 h ALA 50 Ca 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1u37 h ALA 50 Cb 0.70 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.31 1u37 h ALA 50 CO 1.95 -0.77 0.10 1.21 0.00 0.00 0.00 179.25 181.75 1u37 s ASN 51 N -5.45 -0.71 0.28 0.00 2.47 -1.03 -4.71 114.94 105.79 1u37 s ASN 51 Ca -0.07 1.34 0.09 0.00 0.42 0.00 0.00 52.86 54.63 1u37 s ASN 51 Cb 0.23 1.35 -0.06 0.00 -1.45 0.00 0.00 41.25 41.33 1u37 s ASN 51 CO 0.79 -0.27 -0.11 -0.32 -3.72 0.00 0.00 177.10 173.47 1u37 s MET 52 N 0.26 1.60 0.19 0.43 -2.45 -1.26 0.13 119.30 118.20 1u37 s MET 52 Ca -0.01 -1.78 -0.30 0.00 -1.25 0.00 0.00 55.69 52.35 1u37 s MET 52 Cb -0.04 -1.40 -0.08 0.00 1.25 0.00 0.00 34.83 34.55 1u37 s MET 52 CO 0.02 0.15 1.05 1.41 1.05 0.00 0.00 175.02 178.69 1u37 s MET 53 N -3.64 4.67 -0.93 4.11 1.75 0.28 -4.97 119.30 120.57 1u37 s MET 53 Ca 0.29 1.64 -0.24 0.00 -1.25 0.00 0.00 55.69 56.14 1u37 s MET 53 Cb 0.01 -3.28 0.05 0.00 2.84 0.00 0.00 34.83 34.45 1u37 s MET 53 CO 0.13 0.20 1.37 -1.01 -0.65 0.00 0.00 175.02 175.06 1u37 s HIS 54 N -0.51 2.51 0.00 4.11 3.76 -1.26 -3.20 115.29 120.70 1u37 s HIS 54 Ca 0.47 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1u37 s HIS 54 Cb -0.28 -4.64 0.00 0.00 1.11 0.00 0.00 32.58 28.77 1u37 s HIS 54 CO 0.34 -1.94 0.00 0.41 -0.85 0.00 0.00 174.74 172.71 1u37 n GLY 55 N 6.38 0.58 3.63 -2.22 0.00 -1.26 -5.09 105.19 107.20 1u37 n GLY 55 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.37 -1.75 0.27 -0.02 0.00 -1.19 -4.52 105.19 96.61 1u37 n GLY 56 Ca 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.41 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 0.15 -0.12 1.61 0.11 -1.75 1.04 132.00 133.03 1u37 h PRO 57 Ca -0.41 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1u37 h PRO 57 Cb 1.15 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1u37 h PRO 57 CO 0.28 0.10 0.02 0.00 -0.21 0.00 0.00 178.00 178.19 1u37 h ALA 58 N 1.67 0.11 0.00 -0.75 0.00 -0.09 -1.32 119.26 118.89 1u37 h ALA 58 Ca 0.41 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 1u37 h ALA 58 Cb 0.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u37 h ALA 58 CO -0.61 -0.44 -0.34 1.49 0.00 0.00 0.00 179.25 179.35 1u37 h GLU 59 N 0.07 0.00 -0.22 0.00 4.81 -1.42 -3.20 114.58 114.62 1u37 h GLU 59 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 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 0.34 0.06 0.87 -0.73 0.00 0.00 179.01 179.48 1u37 h LYS 60 N 0.00 0.34 -0.89 1.92 1.57 0.17 -2.90 116.57 116.78 1u37 h LYS 60 Ca -0.00 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1u37 h LYS 60 Cb 0.98 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 1u37 h LYS 60 CO 0.04 0.46 0.50 1.03 -0.57 0.00 0.00 179.45 180.91 1u37 h SER 61 N 0.17 0.66 0.00 0.86 0.87 -1.25 -3.46 113.55 111.40 1u37 h SER 61 Ca 0.07 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1u37 h SER 61 Cb 0.26 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1u37 h SER 61 CO 0.00 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1u37 n GLY 62 N -1.33 0.77 0.12 5.77 0.00 -1.10 -4.91 105.19 104.52 1u37 n GLY 62 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.29 0.55 -2.20 1.61 4.01 -1.26 -4.93 118.16 113.64 1u37 n LYS 63 Ca 0.00 0.23 -0.42 0.00 -0.51 0.00 0.00 58.31 57.60 1u37 n LYS 63 Cb 0.00 -1.44 -0.03 0.00 -0.51 0.00 0.00 35.03 33.05 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1u37 s LEU 64 N -7.76 4.31 -0.03 -0.35 1.43 -1.26 -5.01 118.68 110.01 1u37 s LEU 64 Ca -0.32 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 1u37 s LEU 64 Cb 0.08 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1u37 s LEU 64 CO 0.45 -0.75 -0.11 0.20 0.23 0.00 0.00 176.35 176.38 1u37 s ASN 65 N 2.02 1.38 -0.19 2.29 0.01 -1.26 -4.61 114.94 114.58 1u37 s ASN 65 Ca 0.65 -0.22 -0.32 0.00 -0.71 0.00 0.00 52.86 52.26 1u37 s ASN 65 Cb -0.31 -0.35 -0.15 0.00 0.41 0.00 0.00 41.25 40.85 1u37 s ASN 65 CO 0.26 0.09 0.99 -0.38 -1.51 0.00 0.00 177.10 176.55 1u37 n ILE 66 N 3.22 0.00 0.00 0.60 5.41 -1.26 -0.62 119.36 126.71 1u37 n ILE 66 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1u37 n ILE 66 Cb 0.54 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 2.07 0.37 3.66 7.39 0.00 0.11 -4.97 105.19 113.82 1u37 n GLY 67 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.03 6.67 -1.22 1.61 1.01 0.21 -4.61 116.67 118.31 1u37 s ASP 68 Ca 0.00 2.26 -0.19 0.00 0.71 0.00 0.00 52.55 55.33 1u37 s ASP 68 Cb 0.00 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.47 1u37 s ASP 68 CO 0.00 -0.91 1.62 -1.58 0.21 0.00 0.00 175.17 174.51 1u37 s GLN 69 N 3.80 3.90 0.33 8.23 -0.44 -0.65 -2.14 119.66 132.69 1u37 s GLN 69 Ca 0.73 -1.87 -0.28 0.00 -2.50 0.00 0.00 55.36 51.44 1u37 s GLN 69 Cb -0.34 -5.43 -0.12 0.00 -1.64 0.00 0.00 33.01 25.48 1u37 s GLN 69 CO 0.30 -2.18 1.31 -0.89 0.50 0.00 0.00 175.29 174.33 1u37 n ILE 70 N 6.28 1.86 -0.09 -2.34 5.41 -0.62 -1.86 119.36 128.00 1u37 n ILE 70 Ca 0.43 -0.47 -0.12 0.00 1.00 0.00 0.00 62.75 63.60 1u37 n ILE 70 Cb 0.47 -1.57 -0.09 0.00 -0.71 0.00 0.00 39.64 37.75 1u37 n ILE 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1u37 n MET 71 N 0.76 0.52 -3.71 0.38 2.81 -0.13 -3.63 117.12 114.12 1u37 n MET 71 Ca 0.06 0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 55.95 1u37 n MET 71 Cb 0.36 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1u37 s SER 72 N -5.70 -0.29 -0.18 7.83 1.04 -0.61 0.12 113.70 115.90 1u37 s SER 72 Ca -0.23 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 1u37 s SER 72 Cb 0.06 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1u37 s SER 72 CO 0.43 -1.06 -0.05 -0.63 0.98 0.00 0.00 173.24 172.91 1u37 s ILE 73 N -3.86 1.19 -0.53 -1.02 1.01 0.53 -1.50 121.20 117.02 1u37 s ILE 73 Ca 0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1u37 s ILE 73 Cb -0.01 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1u37 s ILE 73 CO -0.04 0.09 0.13 -0.46 0.00 0.00 0.00 174.94 174.66 1u37 n ASN 74 N 4.84 -1.77 0.00 3.58 0.23 0.22 0.10 115.26 122.46 1u37 n ASN 74 Ca -0.12 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1u37 n ASN 74 Cb 0.47 -1.59 0.00 0.00 -2.08 0.00 0.00 39.78 36.58 1u37 n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u37 n GLY 75 N -0.68 1.17 3.16 4.83 0.00 -1.26 -4.91 105.19 107.50 1u37 n GLY 75 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 3.95 0.18 2.61 2.01 0.28 -5.06 115.64 117.60 1u37 s THR 76 Ca 0.00 -2.34 -0.33 0.00 0.31 0.00 0.00 61.69 59.32 1u37 s THR 76 Cb 0.00 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.79 1u37 s THR 76 CO 0.00 -0.82 1.62 -0.24 -0.69 0.00 0.00 174.62 174.50 1u37 n SER 77 N 4.23 3.38 -1.32 3.53 2.88 -1.26 -0.35 113.62 124.71 1u37 n SER 77 Ca 0.01 1.08 0.03 0.00 -1.33 0.00 0.00 58.87 58.66 1u37 n SER 77 Cb 0.40 -1.47 0.28 0.00 -0.75 0.00 0.00 64.21 62.68 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 3.59 4.69 -4.50 2.46 4.77 0.33 -4.85 117.00 123.49 1u37 n LEU 78 Ca 0.17 -3.15 -0.42 0.00 -0.03 0.00 0.00 56.01 52.57 1u37 n LEU 78 Cb 0.31 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 1u37 n LEU 78 CO 0.64 0.77 0.00 -0.69 -1.33 0.00 0.00 177.39 176.78 1u37 s VAL 79 N -2.92 5.19 0.00 4.08 1.01 -1.25 -4.27 120.40 122.24 1u37 s VAL 79 Ca 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1u37 s VAL 79 Cb 0.38 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1u37 s VAL 79 CO 0.10 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1u37 n GLY 80 N 5.08 2.99 3.72 4.51 0.00 -1.26 -5.06 105.19 115.17 1u37 n GLY 80 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 4.35 0.00 0.99 2.34 -1.26 -5.05 118.68 120.05 1u37 s LEU 81 Ca 0.00 1.32 -0.07 0.00 0.06 0.00 0.00 54.13 55.44 1u37 s LEU 81 Cb 0.00 -3.20 0.12 0.00 -0.56 0.00 0.00 46.19 42.55 1u37 s LEU 81 CO 0.00 -0.11 0.26 -2.65 -1.06 0.00 0.00 176.35 172.79 1u37 n PRO 82 N 3.60 -1.30 0.01 1.48 -0.02 -1.26 -4.71 135.00 132.79 1u37 n PRO 82 Ca -0.00 -0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 60.91 1u37 n PRO 82 Cb 0.51 -0.78 -0.01 0.00 -0.02 0.00 0.00 33.50 33.21 1u37 n PRO 82 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u37 h LEU 83 N 0.00 0.71 -0.82 2.45 5.85 -1.97 -3.10 115.31 118.44 1u37 h LEU 83 Ca -0.12 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.27 1u37 h LEU 83 Cb 0.40 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1u37 h LEU 83 CO 0.07 1.20 0.44 0.28 -0.34 0.00 0.00 178.44 180.09 1u37 h SER 84 N 0.43 0.58 -0.13 1.25 0.02 -1.98 0.29 113.55 114.01 1u37 h SER 84 Ca -0.03 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1u37 h SER 84 Cb 1.30 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1u37 h SER 84 CO 0.13 0.29 0.01 0.74 -1.14 0.00 0.00 176.83 176.86 1u37 h THR 85 N 0.69 1.24 0.14 -2.27 2.02 -1.88 -2.47 112.91 110.38 1u37 h THR 85 Ca 0.42 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1u37 h THR 85 Cb 0.49 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1u37 h THR 85 CO -0.30 0.23 -0.19 0.00 0.37 0.00 0.00 175.52 175.62 1u37 h GLN 87 N -0.39 -0.26 -0.93 0.00 7.50 -0.98 0.20 115.11 120.24 1u37 h GLN 87 Ca 0.02 0.02 0.16 0.00 0.50 0.00 0.00 58.65 59.34 1u37 h GLN 87 Cb 0.39 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.90 1u37 h GLN 87 CO -0.08 -0.17 0.60 1.03 -1.50 0.00 0.00 178.83 178.70 1u37 h SER 88 N -0.27 0.69 -0.28 1.46 0.87 -1.18 0.34 113.55 115.19 1u37 h SER 88 Ca 0.15 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1u37 h SER 88 Cb 0.51 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1u37 h SER 88 CO -0.46 0.33 0.11 0.40 -0.53 0.00 0.00 176.83 176.67 1u37 h ILE 89 N 0.72 1.18 -0.44 2.23 2.04 0.03 0.62 117.51 123.89 1u37 h ILE 89 Ca 0.48 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1u37 h ILE 89 Cb 0.78 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1u37 h ILE 89 CO -0.24 0.19 -0.11 0.40 0.00 0.00 0.00 178.15 178.38 1u37 h ILE 90 N 0.30 1.26 -0.13 -0.67 2.04 -0.04 -2.29 117.51 117.99 1u37 h ILE 90 Ca 0.09 -1.18 -0.14 0.00 1.00 0.00 0.00 64.86 64.63 1u37 h ILE 90 Cb 0.20 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1u37 h ILE 90 CO -0.01 0.41 -0.53 0.11 0.00 0.00 0.00 178.15 178.12 1u37 h LYS 91 N 0.72 0.36 0.00 2.37 6.56 -0.07 -2.74 116.57 123.77 1u37 h LYS 91 Ca 0.12 -0.22 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1u37 h LYS 91 Cb 0.60 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1u37 h LYS 91 CO 0.04 0.80 0.00 0.41 -2.06 0.00 0.00 179.45 178.64 1u37 n GLY 92 N 0.15 -1.41 2.16 3.86 0.00 0.21 -3.39 105.19 106.77 1u37 n GLY 92 Ca -0.02 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1u37 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u37 n LEU 93 N -2.21 6.59 -0.04 0.99 4.77 -0.89 -4.41 117.00 121.80 1u37 n LEU 93 Ca 0.03 -3.68 -0.18 0.00 -0.03 0.00 0.00 56.01 52.15 1u37 n LEU 93 Cb 0.29 -1.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.14 1u37 n LEU 93 CO 0.23 1.43 -0.02 0.11 -1.33 0.00 0.00 177.39 177.82 1u37 h LYS 94 N 2.08 0.10 -2.13 3.23 1.57 -1.75 -3.38 116.57 116.29 1u37 h LYS 94 Ca 0.36 -0.18 -0.67 0.00 -1.87 0.00 0.00 60.65 58.29 1u37 h LYS 94 Cb 0.82 0.07 -0.36 0.00 0.08 0.00 0.00 32.23 32.84 1u37 h LYS 94 CO 0.88 1.08 -0.02 0.27 -0.57 0.00 0.00 179.45 181.10 1u37 n ASN 95 N -4.35 5.63 -0.04 0.86 0.23 -1.26 0.14 115.26 116.46 1u37 n ASN 95 Ca -0.18 -3.71 -0.05 0.00 -0.53 0.00 0.00 54.58 50.11 1u37 n ASN 95 Cb 0.67 -0.77 -0.06 0.00 -2.08 0.00 0.00 39.78 37.55 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 -0.26 1.76 -0.92 -3.83 1.13 -1.26 -4.81 117.38 109.19 1u37 n GLN 96 Ca 0.39 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1u37 n GLN 96 Cb 0.38 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1u37 n GLN 96 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1u37 n SER 97 N -2.49 -2.03 -3.58 1.08 2.88 -1.26 -4.94 113.62 103.28 1u37 n SER 97 Ca -0.15 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.28 1u37 n SER 97 Cb 0.73 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1u37 n SER 97 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1u37 s ARG 98 N -0.50 0.64 -0.26 -1.46 0.52 -1.21 -2.09 118.95 114.58 1u37 s ARG 98 Ca 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 55.44 1u37 s ARG 98 Cb 0.00 0.30 0.10 0.00 0.52 0.00 0.00 34.95 35.88 1u37 s ARG 98 CO 0.00 -0.18 0.18 0.08 0.02 0.00 0.00 175.30 175.40 1u37 s VAL 99 N -0.84 -0.20 -1.22 3.52 1.01 0.14 -4.88 120.40 117.94 1u37 s VAL 99 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1u37 s VAL 99 Cb -0.01 -0.88 0.20 0.00 0.00 0.00 0.00 36.38 35.69 1u37 s VAL 99 CO 0.01 -0.52 1.67 0.29 0.00 0.00 0.00 175.10 176.55 1u37 n LYS 100 N 5.28 3.75 -3.68 2.72 5.02 -1.24 -0.93 118.16 129.08 1u37 n LYS 100 Ca -0.05 -3.85 -0.36 0.00 -2.02 0.00 0.00 58.31 52.03 1u37 n LYS 100 Cb 0.45 -2.84 -0.09 0.00 -0.02 0.00 0.00 35.03 32.53 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 -0.43 4.14 -0.36 -0.35 2.34 0.11 0.70 118.68 124.83 1u37 s LEU 101 Ca 0.38 0.15 -0.21 0.00 0.06 0.00 0.00 54.13 54.51 1u37 s LEU 101 Cb 0.05 -2.11 0.01 0.00 -0.56 0.00 0.00 46.19 43.58 1u37 s LEU 101 CO 0.02 0.10 0.67 0.20 -1.06 0.00 0.00 176.35 176.28 1u37 s ASN 102 N 0.86 6.45 0.45 1.48 0.02 -0.56 -0.92 114.94 122.72 1u37 s ASN 102 Ca 0.08 0.16 0.05 0.00 -1.02 0.00 0.00 52.86 52.13 1u37 s ASN 102 Cb -0.13 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 1u37 s ASN 102 CO 0.03 -0.64 0.10 0.27 0.02 0.00 0.00 177.10 176.88 1u37 s ILE 103 N 2.81 1.82 -0.02 0.60 -4.36 -0.84 -0.96 121.20 120.25 1u37 s ILE 103 Ca 0.26 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 1u37 s ILE 103 Cb -0.14 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 1u37 s ILE 103 CO 0.16 0.00 -0.14 0.68 0.24 0.00 0.00 174.94 175.87 1u37 s VAL 104 N -2.73 1.16 -2.96 8.37 -7.23 -0.78 -1.72 120.40 114.51 1u37 s VAL 104 Ca 0.29 -0.60 0.24 0.00 -1.81 0.00 0.00 61.98 60.09 1u37 s VAL 104 Cb 0.04 -0.98 0.19 0.00 0.56 0.00 0.00 36.38 36.19 1u37 s VAL 104 CO 0.16 0.33 1.25 0.54 -0.31 0.00 0.00 175.10 177.07