#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u37 n PHE 18 N 0.00 1.57 -3.60 4.31 3.72 -1.25 -0.89 117.46 121.31 1u37 n PHE 18 Ca 0.00 0.44 -0.15 0.00 -0.05 0.00 0.00 57.45 57.69 1u37 n PHE 18 Cb 0.00 -2.24 -0.13 0.00 -0.94 0.00 0.00 39.48 36.17 1u37 n PHE 18 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1u37 s LYS 19 N -2.92 0.16 -1.20 -1.08 2.20 0.30 -4.88 119.74 112.32 1u37 s LYS 19 Ca 0.76 0.60 -0.19 0.00 -0.36 0.00 0.00 55.97 56.77 1u37 s LYS 19 Cb -0.42 -0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 35.53 1u37 s LYS 19 CO 0.46 -0.39 1.94 -0.40 -0.36 0.00 0.00 175.35 176.59 1u37 n ASP 20 N 5.34 3.74 -4.68 1.43 5.75 -1.26 -1.34 116.55 125.53 1u37 n ASP 20 Ca -0.06 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 51.50 1u37 n ASP 20 Cb 0.50 -1.60 -0.03 0.00 -1.03 0.00 0.00 41.12 38.96 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 5.89 3.48 -0.37 2.12 1.01 -0.34 -4.87 120.40 127.32 1u37 s VAL 21 Ca 0.57 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 1u37 s VAL 21 Cb 0.07 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1u37 s VAL 21 CO 0.06 -0.02 0.12 0.12 0.00 0.00 0.00 175.10 175.38 1u37 s PHE 22 N 2.98 3.50 -0.51 5.22 2.19 -1.22 -0.83 117.98 129.30 1u37 s PHE 22 Ca 0.69 -2.30 -0.17 0.00 0.33 0.00 0.00 56.93 55.49 1u37 s PHE 22 Cb -0.34 -2.84 0.09 0.00 -1.31 0.00 0.00 43.02 38.62 1u37 s PHE 22 CO 0.29 -0.91 0.51 0.42 1.83 0.00 0.00 175.22 177.35 1u37 s ILE 23 N 1.15 5.10 -0.16 3.12 -1.09 -0.25 -4.73 121.20 124.34 1u37 s ILE 23 Ca 0.04 -1.02 -0.15 0.00 -2.23 0.00 0.00 60.65 57.29 1u37 s ILE 23 Cb -0.21 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 1u37 s ILE 23 CO -0.04 -0.76 0.36 -0.70 -1.23 0.00 0.00 174.94 172.57 1u37 s GLU 24 N 1.99 4.26 0.14 2.79 2.12 -1.26 0.12 118.70 128.85 1u37 s GLU 24 Ca 0.07 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.60 1u37 s GLU 24 Cb -0.24 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1u37 s GLU 24 CO 0.07 0.15 0.20 0.36 -0.54 0.00 0.00 175.26 175.50 1u37 n LYS 25 N 3.82 0.28 -3.71 4.30 2.85 -0.85 -4.85 118.16 120.00 1u37 n LYS 25 Ca -0.10 -1.08 -0.37 0.00 -1.05 0.00 0.00 58.31 55.71 1u37 n LYS 25 Cb 0.52 1.05 -0.07 0.00 -0.65 0.00 0.00 35.03 35.88 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 -2.30 3.82 -0.29 -1.58 1.11 -1.26 -4.07 119.66 115.08 1u37 s GLN 26 Ca 0.11 0.02 -0.41 0.00 0.01 0.00 0.00 55.36 55.09 1u37 s GLN 26 Cb -0.00 -3.28 -0.16 0.00 -1.01 0.00 0.00 33.01 28.56 1u37 s GLN 26 CO 0.08 0.58 1.72 1.63 0.01 0.00 0.00 175.29 179.31 1u37 n LYS 27 N 2.50 1.04 0.00 2.91 5.02 -1.26 -1.40 118.16 126.97 1u37 n LYS 27 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1u37 n LYS 27 Cb 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 4.13 1.25 3.18 0.72 0.00 -0.21 -4.94 105.19 109.33 1u37 n GLY 28 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.46 2.34 0.39 1.61 0.41 0.18 -4.93 118.70 118.24 1u37 s GLU 29 Ca 0.00 -0.74 -0.17 0.00 -0.41 0.00 0.00 54.97 53.65 1u37 s GLU 29 Cb 0.00 -1.91 -0.10 0.00 -1.78 0.00 0.00 34.13 30.34 1u37 s GLU 29 CO 0.00 0.24 0.84 0.96 -0.49 0.00 0.00 175.26 176.81 1u37 s ILE 30 N 0.14 4.56 0.32 -1.63 -4.36 -1.26 -4.37 121.20 114.60 1u37 s ILE 30 Ca -0.09 1.16 0.10 0.00 -0.26 0.00 0.00 60.65 61.56 1u37 s ILE 30 Cb -0.14 -3.62 0.31 0.00 1.25 0.00 0.00 42.46 40.26 1u37 s ILE 30 CO 0.05 -0.30 1.71 0.25 0.24 0.00 0.00 174.94 176.88 1u37 h LEU 31 N 1.95 0.61 -0.05 0.37 6.46 -1.83 -3.40 115.31 119.41 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 1.18 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1u37 h LEU 31 CO 0.63 0.03 0.00 0.61 -0.62 0.00 0.00 178.44 179.10 1u37 n GLY 32 N -1.31 1.17 3.05 3.75 0.00 -1.26 0.11 105.19 110.69 1u37 n GLY 32 Ca 0.28 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.05 1.51 -0.61 1.61 -7.23 -1.26 0.05 120.40 112.41 1u37 s VAL 33 Ca 0.00 -0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1u37 s VAL 33 Cb 0.00 -1.39 0.14 0.00 0.56 0.00 0.00 36.38 35.68 1u37 s VAL 33 CO 0.00 0.44 0.62 -0.69 -0.31 0.00 0.00 175.10 175.16 1u37 s VAL 34 N 1.09 5.14 -0.03 1.32 1.01 -0.75 -4.97 120.40 123.21 1u37 s VAL 34 Ca -0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1u37 s VAL 34 Cb -0.14 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1u37 s VAL 34 CO -0.03 -0.99 0.18 0.27 0.00 0.00 0.00 175.10 174.53 1u37 s ILE 35 N 1.74 5.44 0.18 2.22 -5.25 -1.25 0.19 121.20 124.46 1u37 s ILE 35 Ca 0.09 -0.06 0.09 0.00 -0.99 0.00 0.00 60.65 59.77 1u37 s ILE 35 Cb -0.25 -3.52 -0.04 0.00 2.95 0.00 0.00 42.46 41.60 1u37 s ILE 35 CO 0.02 0.38 -0.19 0.68 -1.79 0.00 0.00 174.94 174.04 1u37 s VAL 36 N -1.27 1.91 -0.26 8.37 -7.23 0.45 -4.69 120.40 117.67 1u37 s VAL 36 Ca 0.25 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 58.12 1u37 s VAL 36 Cb -0.13 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 1u37 s VAL 36 CO 0.16 -0.32 2.17 1.21 -0.31 0.00 0.00 175.10 178.01 1u37 n GLU 37 N 0.19 1.58 -1.64 4.82 4.07 -1.26 0.12 120.64 128.52 1u37 n GLU 37 Ca -0.12 0.45 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 1u37 n GLU 37 Cb 0.57 -2.82 -0.09 0.00 -0.06 0.00 0.00 31.44 29.04 1u37 n GLU 37 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1u37 s SER 38 N 7.41 3.76 -0.23 4.31 0.01 -1.26 -4.70 113.70 123.01 1u37 s SER 38 Ca 1.04 -0.59 0.09 0.00 1.31 0.00 0.00 55.95 57.80 1u37 s SER 38 Cb -0.61 -2.58 0.60 0.00 0.21 0.00 0.00 66.02 63.64 1u37 s SER 38 CO 0.43 -4.25 1.52 0.61 0.41 0.00 0.00 173.24 171.97 1u37 n GLY 39 N 6.43 2.99 3.76 3.44 0.00 -1.26 -4.18 105.19 116.37 1u37 n GLY 39 Ca 0.44 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 0.14 -3.28 -2.87 1.61 2.14 -1.26 -5.00 117.44 108.92 1u37 n TRP 40 Ca 0.28 -1.53 -0.43 0.00 2.07 0.00 0.00 57.50 57.88 1u37 n TRP 40 Cb 1.10 -0.80 0.01 0.00 -0.81 0.00 0.00 31.31 30.80 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 -2.75 4.72 3.62 -1.67 0.00 -1.26 -4.92 105.19 102.93 1u37 n GLY 41 Ca 0.16 -2.43 -0.05 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.06 -0.18 0.24 1.61 0.15 -1.26 -5.16 113.70 109.05 1u37 s SER 42 Ca 0.35 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1u37 s SER 42 Cb 0.03 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1u37 s SER 42 CO 0.04 -0.14 0.00 -0.38 1.20 0.00 0.00 173.24 173.96 1u37 n ILE 43 N 0.94 0.00 -3.25 6.45 -0.00 -1.26 -4.54 119.36 117.69 1u37 n ILE 43 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.30 1u37 n ILE 43 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.16 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 4.25 0.20 1.39 2.34 -1.26 -5.03 118.68 120.57 1u37 s LEU 44 Ca 0.00 0.84 -0.32 0.00 0.06 0.00 0.00 54.13 54.71 1u37 s LEU 44 Cb 0.00 -2.76 -0.11 0.00 -0.56 0.00 0.00 46.19 42.76 1u37 s LEU 44 CO 0.00 -0.07 1.66 -2.16 -1.06 0.00 0.00 176.35 174.73 1u37 s PRO 45 N 0.92 4.15 0.33 1.48 0.04 -1.26 -4.76 135.00 135.90 1u37 s PRO 45 Ca 0.27 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1u37 s PRO 45 Cb -0.16 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1u37 s PRO 45 CO 0.11 -0.69 0.00 -2.37 0.04 0.00 0.00 177.00 174.09 1u37 n THR 46 N 3.83 0.00 -3.52 1.26 5.66 -1.26 -3.96 114.28 116.30 1u37 n THR 46 Ca 0.15 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.98 1u37 n THR 46 Cb 0.36 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.72 0.00 -0.13 1.08 -7.23 -1.25 -4.09 120.40 107.06 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 0.07 -0.63 -0.31 0.00 0.00 175.10 174.23 1u37 s ILE 48 N -1.40 0.03 -0.30 -0.62 1.01 0.32 -3.39 121.20 116.84 1u37 s ILE 48 Ca -0.09 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1u37 s ILE 48 Cb -0.00 -0.51 -0.34 0.00 0.01 0.00 0.00 42.46 41.62 1u37 s ILE 48 CO 0.07 -0.08 1.74 -0.38 0.00 0.00 0.00 174.94 176.28 1u37 n ILE 49 N 5.24 0.03 -0.17 2.92 5.41 -0.79 -0.41 119.36 131.59 1u37 n ILE 49 Ca -0.06 -0.03 0.14 0.00 1.00 0.00 0.00 62.75 63.80 1u37 n ILE 49 Cb 0.49 -2.00 0.48 0.00 -0.71 0.00 0.00 39.64 37.90 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 10.42 2.05 -2.92 -1.39 0.00 -0.60 0.53 119.26 127.35 1u37 h ALA 50 Ca 0.19 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.66 1u37 h ALA 50 Cb 0.78 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1u37 h ALA 50 CO 1.77 -0.24 -0.42 -0.80 0.00 0.00 0.00 179.25 179.56 1u37 s ASN 51 N -5.98 1.58 -0.30 0.00 0.01 -0.84 -4.68 114.94 104.73 1u37 s ASN 51 Ca -0.08 -1.72 -0.16 0.00 -0.71 0.00 0.00 52.86 50.19 1u37 s ASN 51 Cb 0.21 0.59 0.17 0.00 0.41 0.00 0.00 41.25 42.62 1u37 s ASN 51 CO 0.77 -1.12 1.05 -0.32 -1.51 0.00 0.00 177.10 175.96 1u37 s MET 52 N -3.32 0.27 -0.13 -0.60 -2.45 -1.26 -1.80 119.30 110.01 1u37 s MET 52 Ca 0.39 0.56 -0.39 0.00 -1.25 0.00 0.00 55.69 55.00 1u37 s MET 52 Cb 0.02 0.20 -0.16 0.00 1.25 0.00 0.00 34.83 36.14 1u37 s MET 52 CO 0.27 -0.07 1.59 -0.12 1.05 0.00 0.00 175.02 177.74 1u37 n MET 53 N 4.17 1.17 -2.18 4.11 1.56 0.11 -4.81 117.12 121.26 1u37 n MET 53 Ca -0.14 0.43 -0.30 0.00 -0.27 0.00 0.00 57.70 57.42 1u37 n MET 53 Cb 0.55 -2.10 -0.05 0.00 2.15 0.00 0.00 33.22 33.78 1u37 n MET 53 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1u37 s HIS 54 N 2.36 2.02 0.00 1.12 2.46 -1.26 -2.44 115.29 119.54 1u37 s HIS 54 Ca 0.93 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.67 1u37 s HIS 54 Cb -1.02 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 27.23 1u37 s HIS 54 CO 0.58 -1.70 0.00 0.41 -2.47 0.00 0.00 174.74 171.56 1u37 n GLY 55 N 6.64 1.91 2.51 1.59 0.00 -1.26 -5.12 105.19 111.46 1u37 n GLY 55 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.32 2.90 0.27 -0.02 0.00 -1.02 -4.87 105.19 102.13 1u37 n GLY 56 Ca 0.00 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 0.22 -0.14 1.61 0.11 -1.76 0.84 132.00 132.88 1u37 h PRO 57 Ca -0.23 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.88 1u37 h PRO 57 Cb 0.84 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1u37 h PRO 57 CO 0.37 0.15 0.03 0.00 -0.21 0.00 0.00 178.00 178.34 1u37 h ALA 58 N 1.63 0.14 -0.16 -0.75 0.00 -0.62 -1.02 119.26 118.48 1u37 h ALA 58 Ca 0.42 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1u37 h ALA 58 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1u37 h ALA 58 CO -0.54 -0.41 -0.43 1.49 0.00 0.00 0.00 179.25 179.36 1u37 h GLU 59 N 0.10 0.38 -0.23 0.00 4.81 -1.48 -3.14 114.58 115.01 1u37 h GLU 59 Ca 0.06 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1u37 h GLU 59 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1u37 h GLU 59 CO -0.07 0.74 0.07 0.87 -0.73 0.00 0.00 179.01 179.89 1u37 h LYS 60 N 0.31 0.16 -0.92 1.92 1.79 0.12 -2.22 116.57 117.74 1u37 h LYS 60 Ca 0.02 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.63 1u37 h LYS 60 Cb 0.89 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.42 1u37 h LYS 60 CO 0.07 0.11 0.59 1.03 -1.08 0.00 0.00 179.45 180.17 1u37 h SER 61 N 0.17 0.72 -0.08 0.86 0.87 -1.15 -3.46 113.55 111.47 1u37 h SER 61 Ca 0.10 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1u37 h SER 61 Cb 0.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1u37 h SER 61 CO -0.12 0.36 -0.03 0.61 -0.53 0.00 0.00 176.83 177.12 1u37 n GLY 62 N -1.41 0.53 0.64 5.77 0.00 -0.83 -4.89 105.19 104.99 1u37 n GLY 62 Ca 0.18 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.82 0.24 -2.47 1.61 4.01 -1.26 -4.98 118.16 112.49 1u37 n LYS 63 Ca -0.02 0.10 -0.43 0.00 -0.51 0.00 0.00 58.31 57.46 1u37 n LYS 63 Cb 0.07 -0.91 -0.02 0.00 -0.51 0.00 0.00 35.03 33.66 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 -6.89 4.19 -0.05 -0.35 1.43 -1.26 -5.02 118.68 110.72 1u37 s LEU 64 Ca -0.15 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 1u37 s LEU 64 Cb 0.05 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1u37 s LEU 64 CO 0.20 -0.71 -0.15 0.20 0.23 0.00 0.00 176.35 176.11 1u37 s ASN 65 N 1.77 2.01 -0.34 2.29 0.01 -1.26 -4.58 114.94 114.83 1u37 s ASN 65 Ca 0.53 -0.33 -0.31 0.00 -0.71 0.00 0.00 52.86 52.04 1u37 s ASN 65 Cb -0.21 -0.72 -0.13 0.00 0.41 0.00 0.00 41.25 40.60 1u37 s ASN 65 CO 0.15 0.10 1.33 -0.38 -1.51 0.00 0.00 177.10 176.79 1u37 n ILE 66 N 3.42 0.00 0.00 0.60 5.41 -1.26 -1.06 119.36 126.47 1u37 n ILE 66 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1u37 n ILE 66 Cb 0.53 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 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 4.25 1.22 3.70 7.39 0.00 0.19 -4.96 105.19 116.98 1u37 n GLY 67 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.47 6.87 -1.20 1.61 1.01 -0.22 -4.67 116.67 118.60 1u37 s ASP 68 Ca 0.00 2.19 -0.15 0.00 0.71 0.00 0.00 52.55 55.30 1u37 s ASP 68 Cb 0.00 -2.57 0.15 0.00 1.01 0.00 0.00 42.92 41.50 1u37 s ASP 68 CO 0.00 -0.66 1.46 -1.58 0.21 0.00 0.00 175.17 174.61 1u37 s GLN 69 N 1.67 4.02 0.28 8.23 0.74 -0.88 -1.88 119.66 131.84 1u37 s GLN 69 Ca 0.63 -2.37 -0.30 0.00 0.05 0.00 0.00 55.36 53.38 1u37 s GLN 69 Cb -0.33 -5.14 -0.13 0.00 1.10 0.00 0.00 33.01 28.50 1u37 s GLN 69 CO 0.28 -1.87 1.31 -0.89 -0.55 0.00 0.00 175.29 173.58 1u37 n ILE 70 N 5.07 1.44 -0.09 -2.34 5.41 -1.22 -1.76 119.36 125.88 1u37 n ILE 70 Ca 0.38 -0.36 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 1u37 n ILE 70 Cb 0.44 -1.43 -0.09 0.00 -0.71 0.00 0.00 39.64 37.85 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 1.34 0.74 -3.55 0.38 2.81 -0.43 -4.16 117.12 114.25 1u37 n MET 71 Ca 0.09 0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.91 1u37 n MET 71 Cb 0.33 -1.38 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 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 -5.58 -0.50 -0.12 7.83 1.04 -0.95 -0.65 113.70 114.76 1u37 s SER 72 Ca -0.21 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1u37 s SER 72 Cb 0.06 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1u37 s SER 72 CO 0.47 -0.69 -0.16 -0.63 0.98 0.00 0.00 173.24 173.21 1u37 s ILE 73 N -2.11 1.62 -0.75 -1.02 1.01 0.63 -1.06 121.20 119.53 1u37 s ILE 73 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1u37 s ILE 73 Cb -0.01 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1u37 s ILE 73 CO 0.01 0.47 0.00 0.59 0.00 0.00 0.00 174.94 176.01 1u37 n ASN 74 N 4.32 -2.86 0.00 3.58 3.02 0.12 0.51 115.26 123.95 1u37 n ASN 74 Ca -0.19 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1u37 n ASN 74 Cb 0.51 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 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 -0.62 1.16 2.88 7.41 0.00 -1.23 -4.93 105.19 109.85 1u37 n GLY 75 Ca -0.10 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 1.85 0.13 2.61 2.01 0.18 -5.10 115.64 115.31 1u37 s THR 76 Ca 0.00 -2.38 -0.31 0.00 0.31 0.00 0.00 61.69 59.31 1u37 s THR 76 Cb 0.00 -2.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.09 1u37 s THR 76 CO 0.00 -0.72 1.42 -0.55 -0.69 0.00 0.00 174.62 174.08 1u37 s SER 77 N 0.70 6.79 -0.08 3.53 0.15 -1.26 -0.27 113.70 123.25 1u37 s SER 77 Ca 0.13 2.38 0.15 0.00 0.70 0.00 0.00 55.95 59.31 1u37 s SER 77 Cb -0.21 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.09 1u37 s SER 77 CO -0.08 -0.68 1.46 0.18 1.20 0.00 0.00 173.24 175.32 1u37 n LEU 78 N 3.91 3.85 -4.62 3.45 4.77 0.17 -4.87 117.00 123.67 1u37 n LEU 78 Ca 0.12 -1.94 -0.43 0.00 -0.03 0.00 0.00 56.01 53.73 1u37 n LEU 78 Cb 0.42 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1u37 n LEU 78 CO 0.59 0.69 1.21 -0.69 -1.33 0.00 0.00 177.39 177.86 1u37 s VAL 79 N -1.72 3.97 0.00 4.08 1.01 -1.26 -3.38 120.40 123.10 1u37 s VAL 79 Ca 0.41 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1u37 s VAL 79 Cb 0.26 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1u37 s VAL 79 CO 0.21 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1u37 n GLY 80 N 4.71 3.06 3.78 4.51 0.00 -1.25 -5.06 105.19 114.94 1u37 n GLY 80 Ca 0.16 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 4.07 1.08 0.99 2.34 -1.22 -5.02 118.68 120.93 1u37 s LEU 81 Ca 0.00 2.12 -0.12 0.00 0.06 0.00 0.00 54.13 56.19 1u37 s LEU 81 Cb 0.00 -4.23 0.24 0.00 -0.56 0.00 0.00 46.19 41.64 1u37 s LEU 81 CO 0.00 -0.66 1.06 -2.16 -1.06 0.00 0.00 176.35 173.53 1u37 s PRO 82 N -2.62 -0.28 0.34 1.48 0.04 -1.26 -4.81 135.00 127.89 1u37 s PRO 82 Ca 0.60 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1u37 s PRO 82 Cb -0.24 -1.63 0.60 0.00 0.04 0.00 0.00 34.50 33.28 1u37 s PRO 82 CO 0.29 -3.30 1.90 1.25 0.04 0.00 0.00 177.00 177.19 1u37 h LEU 83 N -2.32 0.56 -0.80 -3.56 5.85 -1.96 -2.51 115.31 110.58 1u37 h LEU 83 Ca -0.57 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.18 1u37 h LEU 83 Cb 1.32 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1u37 h LEU 83 CO 0.51 0.56 0.42 -1.28 -0.34 0.00 0.00 178.44 178.32 1u37 h SER 84 N 0.60 0.55 -0.21 1.25 0.87 -1.97 0.16 113.55 114.80 1u37 h SER 84 Ca 0.14 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1u37 h SER 84 Cb 0.23 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1u37 h SER 84 CO -0.00 0.29 -0.22 0.74 -0.53 0.00 0.00 176.83 177.10 1u37 h THR 85 N 0.67 1.33 0.12 2.23 2.02 -1.81 -2.43 112.91 115.04 1u37 h THR 85 Ca 0.41 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 66.22 1u37 h THR 85 Cb 0.48 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1u37 h THR 85 CO -0.30 0.43 -0.20 0.00 0.37 0.00 0.00 175.52 175.81 1u37 h GLN 87 N -0.39 -0.03 -0.79 0.00 1.08 -0.77 -0.25 115.11 113.95 1u37 h GLN 87 Ca 0.02 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1u37 h GLN 87 Cb 0.41 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 1u37 h GLN 87 CO -0.10 -0.02 0.52 0.66 -0.95 0.00 0.00 178.83 178.93 1u37 h SER 88 N -0.04 0.64 -0.18 1.46 4.64 -1.00 0.11 113.55 119.19 1u37 h SER 88 Ca 0.16 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1u37 h SER 88 Cb 0.28 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1u37 h SER 88 CO -0.36 0.38 -0.02 0.40 -0.87 0.00 0.00 176.83 176.37 1u37 h ILE 89 N 0.71 1.18 -0.22 0.95 2.04 0.78 0.31 117.51 123.26 1u37 h ILE 89 Ca 0.37 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 1u37 h ILE 89 Cb 0.47 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1u37 h ILE 89 CO -0.14 0.25 -0.47 0.40 0.00 0.00 0.00 178.15 178.19 1u37 h ILE 90 N 0.43 1.31 -0.01 -0.67 2.04 -0.11 -3.01 117.51 117.49 1u37 h ILE 90 Ca 0.09 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 1u37 h ILE 90 Cb 0.31 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1u37 h ILE 90 CO 0.01 0.52 -0.28 0.11 0.00 0.00 0.00 178.15 178.51 1u37 h LYS 91 N 0.45 0.21 -0.35 2.37 6.56 -0.54 -3.21 116.57 122.05 1u37 h LYS 91 Ca 0.03 -0.21 0.10 0.00 -1.06 0.00 0.00 60.65 59.51 1u37 h LYS 91 Cb 0.99 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.69 1u37 h LYS 91 CO 0.09 0.93 0.41 0.78 -2.06 0.00 0.00 179.45 179.59 1u37 h GLY 92 N -0.43 0.00 -3.96 3.86 0.00 -0.45 0.33 103.07 102.42 1u37 h GLY 92 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.76 1u37 h GLY 92 CO 0.06 0.00 0.68 1.47 0.00 0.00 0.00 176.54 178.75 1u37 n LEU 93 N -3.67 6.84 0.20 3.11 -0.00 -1.14 -4.37 117.00 117.96 1u37 n LEU 93 Ca 0.06 -3.68 0.09 0.00 -0.00 0.00 0.00 56.01 52.48 1u37 n LEU 93 Cb 0.57 -0.86 0.22 0.00 -0.00 0.00 0.00 43.42 43.35 1u37 n LEU 93 CO 0.26 1.11 0.71 0.50 -0.00 0.00 0.00 177.39 179.98 1u37 h LYS 94 N 1.15 0.00 -1.67 1.47 3.11 -0.45 -3.31 116.57 116.87 1u37 h LYS 94 Ca 0.62 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.89 1u37 h LYS 94 Cb 2.50 0.00 -0.42 0.00 -1.00 0.00 0.00 32.23 33.31 1u37 h LYS 94 CO 1.17 0.20 -0.75 0.09 -2.81 0.00 0.00 179.45 177.35 1u37 n ASN 95 N -3.19 4.38 -0.03 4.20 3.02 -1.26 0.51 115.26 122.88 1u37 n ASN 95 Ca 0.02 -3.64 -0.04 0.00 -0.03 0.00 0.00 54.58 50.90 1u37 n ASN 95 Cb 0.56 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.39 2.58 -1.02 3.52 1.13 -1.25 -4.79 117.38 117.17 1u37 n GLN 96 Ca 0.35 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.41 1u37 n GLN 96 Cb 0.61 -1.17 -0.00 0.00 0.11 0.00 0.00 30.24 29.79 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 -2.31 -4.40 -3.64 1.08 7.64 -1.26 -4.93 113.62 105.81 1u37 n SER 97 Ca -0.11 0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.70 1u37 n SER 97 Cb 0.71 -1.96 -0.07 0.00 -1.01 0.00 0.00 64.21 61.88 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 -1.07 0.46 -0.26 1.43 0.52 -1.18 -2.02 118.95 116.85 1u37 s ARG 98 Ca 0.00 0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 1u37 s ARG 98 Cb 0.00 0.22 0.09 0.00 0.52 0.00 0.00 34.95 35.78 1u37 s ARG 98 CO 0.00 -0.06 0.10 0.08 0.02 0.00 0.00 175.30 175.44 1u37 s VAL 99 N 0.25 0.28 -1.22 3.52 1.01 0.12 -4.86 120.40 119.49 1u37 s VAL 99 Ca 0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1u37 s VAL 99 Cb -0.05 -1.09 0.18 0.00 0.00 0.00 0.00 36.38 35.42 1u37 s VAL 99 CO -0.07 -0.54 1.55 0.29 0.00 0.00 0.00 175.10 176.33 1u37 n LYS 100 N 5.11 3.50 -3.84 2.72 5.02 -1.25 -1.10 118.16 128.33 1u37 n LYS 100 Ca -0.06 -3.82 -0.36 0.00 -2.02 0.00 0.00 58.31 52.05 1u37 n LYS 100 Cb 0.44 -2.96 -0.13 0.00 -0.02 0.00 0.00 35.03 32.37 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 0.71 3.28 -0.39 -0.35 2.34 -0.01 0.16 118.68 124.40 1u37 s LEU 101 Ca 0.41 -0.25 -0.24 0.00 0.06 0.00 0.00 54.13 54.11 1u37 s LEU 101 Cb 0.01 -1.86 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1u37 s LEU 101 CO 0.00 -0.01 0.82 0.20 -1.06 0.00 0.00 176.35 176.30 1u37 s ASN 102 N 1.48 6.53 0.27 1.48 -0.87 -0.22 -1.20 114.94 122.41 1u37 s ASN 102 Ca 0.06 0.26 0.09 0.00 -1.57 0.00 0.00 52.86 51.70 1u37 s ASN 102 Cb -0.15 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 1u37 s ASN 102 CO 0.02 -0.82 0.01 0.27 -2.57 0.00 0.00 177.10 174.00 1u37 s ILE 103 N 3.27 3.42 -0.06 0.60 -4.36 -0.45 -1.32 121.20 122.31 1u37 s ILE 103 Ca 0.33 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1u37 s ILE 103 Cb -0.12 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 1u37 s ILE 103 CO 0.19 -0.36 -0.04 0.68 0.24 0.00 0.00 174.94 175.65 1u37 s VAL 104 N -2.33 3.89 0.00 8.37 -7.23 -0.72 0.11 120.40 122.49 1u37 s VAL 104 Ca 0.32 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 1u37 s VAL 104 Cb -0.06 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1u37 s VAL 104 CO 0.20 0.55 0.39 0.54 -0.31 0.00 0.00 175.10 176.48