#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n LYS 2 N 0.00 0.20 -2.11 0.00 4.01 -1.26 -5.11 118.16 113.89 2aw4 n LYS 2 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 2aw4 n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 2aw4 n LYS 2 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2aw4 s LYS 3 N -1.54 4.32 0.01 1.97 2.20 -1.26 -4.95 119.74 120.48 2aw4 s LYS 3 Ca 0.00 2.18 -0.29 0.00 -0.36 0.00 0.00 55.97 57.49 2aw4 s LYS 3 Cb 0.00 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2aw4 s LYS 3 CO 0.00 -0.37 0.95 0.54 -0.36 0.00 0.00 175.35 176.11 2aw4 s VAL 4 N 0.29 4.83 0.28 4.02 0.11 -1.26 -5.05 120.40 123.64 2aw4 s VAL 4 Ca 0.60 2.00 0.09 0.00 -2.93 0.00 0.00 61.98 61.75 2aw4 s VAL 4 Cb -0.39 -4.29 -0.05 0.00 -1.53 0.00 0.00 36.38 30.11 2aw4 s VAL 4 CO 0.38 0.19 -0.13 -1.58 -3.33 0.00 0.00 175.10 170.63 2aw4 s GLN 5 N 0.84 1.63 0.34 1.54 0.74 -1.26 -5.10 119.66 118.39 2aw4 s GLN 5 Ca 0.50 -1.79 -0.29 0.00 0.05 0.00 0.00 55.36 53.83 2aw4 s GLN 5 Cb -0.21 -1.51 -0.11 0.00 1.10 0.00 0.00 33.01 32.28 2aw4 s GLN 5 CO 0.27 0.19 1.50 0.00 -0.55 0.00 0.00 175.29 176.71 2aw4 s ALA 6 N -2.72 3.62 0.00 1.58 0.00 -1.26 -4.96 121.76 118.02 2aw4 s ALA 6 Ca 0.29 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2aw4 s ALA 6 Cb -0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2aw4 s ALA 6 CO 0.13 -0.99 0.00 2.48 0.00 0.00 0.00 175.76 177.39 2aw4 n TYR 7 N 1.09 0.00 -4.13 0.00 0.18 -1.26 -3.43 117.16 109.61 2aw4 n TYR 7 Ca 0.03 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.55 2aw4 n TYR 7 Cb 0.39 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.29 2aw4 n TYR 7 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2aw4 s VAL 8 N -1.66 4.22 -0.00 -3.48 -7.23 0.34 -4.95 120.40 107.64 2aw4 s VAL 8 Ca 0.00 -1.21 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2aw4 s VAL 8 Cb 0.00 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 2aw4 s VAL 8 CO 0.00 -0.12 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.91 2aw4 s LYS 9 N -3.07 1.35 -0.02 4.82 -2.85 -1.26 0.02 119.74 118.73 2aw4 s LYS 9 Ca 0.30 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.34 2aw4 s LYS 9 Cb -0.10 -1.32 0.09 0.00 -2.06 0.00 0.00 37.83 34.44 2aw4 s LYS 9 CO 0.22 0.36 0.76 -0.48 0.10 0.00 0.00 175.35 176.31 2aw4 s LEU 10 N -0.51 -0.53 -0.35 2.77 0.05 -0.86 -5.00 118.68 114.24 2aw4 s LEU 10 Ca 0.06 0.37 -0.07 0.00 0.05 0.00 0.00 54.13 54.54 2aw4 s LEU 10 Cb -0.07 2.33 0.04 0.00 -2.05 0.00 0.00 46.19 46.45 2aw4 s LEU 10 CO -0.00 -0.64 0.13 0.00 -0.55 0.00 0.00 176.35 175.28 2aw4 s GLN 11 N -2.09 2.61 0.11 1.48 -2.07 -1.26 -0.38 119.66 118.06 2aw4 s GLN 11 Ca -0.04 -1.22 0.06 0.00 -1.82 0.00 0.00 55.36 52.34 2aw4 s GLN 11 Cb -0.00 -3.50 -0.04 0.00 -1.09 0.00 0.00 33.01 28.37 2aw4 s GLN 11 CO -0.00 -0.71 -0.02 0.14 -1.32 0.00 0.00 175.29 173.38 2aw4 s VAL 12 N 1.40 3.81 0.97 3.63 -7.23 -1.14 -4.89 120.40 116.95 2aw4 s VAL 12 Ca -0.01 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 2aw4 s VAL 12 Cb -0.20 -2.83 0.09 0.00 0.56 0.00 0.00 36.38 33.99 2aw4 s VAL 12 CO 0.03 0.06 0.60 0.00 -0.31 0.00 0.00 175.10 175.48 2aw4 n ALA 13 N 0.42 -2.27 -0.51 1.32 0.00 -1.26 -1.80 120.51 116.41 2aw4 n ALA 13 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2aw4 n ALA 13 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2aw4 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n ALA 14 N -3.92 -0.20 -3.12 0.00 0.00 -1.16 -4.18 120.51 107.93 2aw4 n ALA 14 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2aw4 n ALA 14 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 2aw4 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 15 N -0.78 5.01 0.00 0.00 0.00 -1.26 -4.58 105.19 103.58 2aw4 n GLY 15 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 2aw4 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2aw4 n MET 16 N 1.39 0.00 -3.82 1.61 0.00 -1.26 -5.05 117.12 109.99 2aw4 n MET 16 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.95 2aw4 n MET 16 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.57 2aw4 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2aw4 s ALA 17 N -1.00 -1.89 0.00 -5.12 0.00 -1.26 -4.41 121.76 108.08 2aw4 s ALA 17 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2aw4 s ALA 17 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2aw4 s ALA 17 CO 0.00 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.98 2aw4 n ASN 18 N -0.89 0.00 -4.76 0.00 5.15 -1.26 -5.00 115.26 108.50 2aw4 n ASN 18 Ca -0.04 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 2aw4 n ASN 18 Cb 0.60 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.87 2aw4 n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2aw4 s PRO 19 N -0.74 3.47 0.06 1.20 0.04 -1.26 -4.60 135.00 133.17 2aw4 s PRO 19 Ca 0.00 2.15 -0.32 0.00 0.04 0.00 0.00 61.00 62.87 2aw4 s PRO 19 Cb 0.00 -2.42 -0.18 0.00 0.04 0.00 0.00 34.50 31.94 2aw4 s PRO 19 CO 0.00 -0.89 1.52 1.03 0.04 0.00 0.00 177.00 178.70 2aw4 h SER 20 N 1.89 -0.74 -0.00 6.66 0.87 -1.98 -1.93 113.55 118.32 2aw4 h SER 20 Ca -0.50 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 2aw4 h SER 20 Cb 1.28 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 2aw4 h SER 20 CO 0.59 -0.49 -0.22 -0.65 -0.53 0.00 0.00 176.83 175.53 2aw4 h PRO 21 N -0.95 -0.34 0.76 2.24 0.11 -1.99 -3.18 132.00 128.65 2aw4 h PRO 21 Ca -0.09 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2aw4 h PRO 21 Cb 0.70 0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.89 2aw4 h PRO 21 CO 0.15 -0.23 -0.36 -1.35 -0.21 0.00 0.00 178.00 176.00 2aw4 h PRO 22 N -0.35 -0.98 0.00 1.05 0.11 -1.96 -3.46 132.00 126.41 2aw4 h PRO 22 Ca 0.06 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2aw4 h PRO 22 Cb 0.43 0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2aw4 h PRO 22 CO -0.20 -0.65 0.00 1.33 -0.21 0.00 0.00 178.00 178.27 2aw4 n VAL 23 N -5.52 0.00 0.00 3.15 0.24 -0.73 -4.81 118.33 110.66 2aw4 n VAL 23 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2aw4 n VAL 23 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2aw4 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aw4 n GLY 24 N 5.00 1.39 0.48 7.63 0.00 -1.18 -1.75 105.19 116.76 2aw4 n GLY 24 Ca 0.00 0.61 0.29 0.00 0.00 0.00 0.00 46.02 46.92 2aw4 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aw4 h PRO 25 N 0.00 0.00 0.07 1.61 0.11 -1.88 1.10 132.00 133.01 2aw4 h PRO 25 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2aw4 h PRO 25 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2aw4 h PRO 25 CO 0.00 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 177.73 2aw4 h ALA 26 N 1.27 -0.86 0.00 -0.75 0.00 -1.60 -2.79 119.26 114.53 2aw4 h ALA 26 Ca 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2aw4 h ALA 26 Cb 1.98 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 2aw4 h ALA 26 CO -0.00 -0.86 -0.58 1.37 0.00 0.00 0.00 179.25 179.17 2aw4 h LEU 27 N -0.12 0.00 -1.72 0.00 -0.00 -1.76 -3.32 115.31 108.39 2aw4 h LEU 27 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.01 2aw4 h LEU 27 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 2aw4 h LEU 27 CO 0.00 0.15 0.44 1.23 -0.00 0.00 0.00 178.44 180.26 2aw4 h GLY 28 N 3.88 0.47 1.22 0.17 0.00 0.13 0.12 103.07 109.06 2aw4 h GLY 28 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2aw4 h GLY 28 CO 0.02 0.05 0.24 1.46 0.00 0.00 0.00 176.54 178.31 2aw4 h GLN 29 N 0.29 0.99 -0.01 4.80 1.08 -1.59 -2.77 115.11 117.90 2aw4 h GLN 29 Ca 0.31 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2aw4 h GLN 29 Cb 0.82 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2aw4 h GLN 29 CO -0.07 0.82 -0.02 1.96 -0.95 0.00 0.00 178.83 180.57 2aw4 h GLN 30 N 0.96 0.01 0.00 1.46 1.08 -0.96 -3.45 115.11 114.21 2aw4 h GLN 30 Ca 0.22 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2aw4 h GLN 30 Cb 0.22 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2aw4 h GLN 30 CO -0.01 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 2aw4 n GLY 31 N -1.46 1.47 3.80 3.46 0.00 -1.04 -5.02 105.19 106.39 2aw4 n GLY 31 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2aw4 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw4 s VAL 32 N -2.00 3.68 -0.65 1.61 1.01 -1.21 -4.76 120.40 118.08 2aw4 s VAL 32 Ca 0.00 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 2aw4 s VAL 32 Cb 0.00 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.17 2aw4 s VAL 32 CO 0.00 -0.39 0.67 0.20 0.00 0.00 0.00 175.10 175.58 2aw4 s ASN 33 N -2.48 6.36 0.15 3.32 0.01 -1.26 -4.71 114.94 116.33 2aw4 s ASN 33 Ca 0.66 -1.94 -0.22 0.00 -0.71 0.00 0.00 52.86 50.65 2aw4 s ASN 33 Cb -0.17 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.26 2aw4 s ASN 33 CO 0.32 -0.87 1.63 0.40 -1.51 0.00 0.00 177.10 177.07 2aw4 h ILE 34 N 5.62 0.41 -0.29 0.60 1.08 -1.94 -2.28 117.51 120.71 2aw4 h ILE 34 Ca -0.17 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.37 2aw4 h ILE 34 Cb 1.08 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 2aw4 h ILE 34 CO 0.99 0.00 -0.23 -0.03 -0.69 0.00 0.00 178.15 178.19 2aw4 h MET 35 N -0.25 -0.20 -0.28 2.37 4.05 -1.98 0.12 114.93 118.77 2aw4 h MET 35 Ca 0.13 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 2aw4 h MET 35 Cb 0.45 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 2aw4 h MET 35 CO -0.37 -0.13 0.09 1.49 0.23 0.00 0.00 176.91 178.22 2aw4 h GLU 36 N -0.21 0.21 -0.48 0.39 4.81 -1.93 -2.60 114.58 114.76 2aw4 h GLU 36 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2aw4 h GLU 36 Cb 0.44 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2aw4 h GLU 36 CO -0.41 0.14 0.19 0.35 -0.73 0.00 0.00 179.01 178.54 2aw4 h PHE 37 N 0.21 0.74 -0.41 0.92 3.57 -0.83 0.27 116.94 121.41 2aw4 h PHE 37 Ca 0.12 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2aw4 h PHE 37 Cb 0.10 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2aw4 h PHE 37 CO -0.14 0.63 0.12 0.00 -2.23 0.00 0.00 178.31 176.69 2aw4 h LYS 39 N 0.27 0.65 -0.21 0.00 3.64 -1.35 -2.32 116.57 117.26 2aw4 h LYS 39 Ca 0.20 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2aw4 h LYS 39 Cb 0.20 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2aw4 h LYS 39 CO -0.22 1.01 0.09 0.00 -2.27 0.00 0.00 179.45 178.06 2aw4 h ALA 40 N 0.64 0.27 0.52 5.00 0.00 0.12 -2.04 119.26 123.76 2aw4 h ALA 40 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2aw4 h ALA 40 Cb 0.95 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2aw4 h ALA 40 CO 0.08 -0.15 -0.25 0.35 0.00 0.00 0.00 179.25 179.28 2aw4 h PHE 41 N 0.19 -0.65 -0.21 0.00 3.57 0.17 -2.79 116.94 117.23 2aw4 h PHE 41 Ca 0.07 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2aw4 h PHE 41 Cb 0.15 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2aw4 h PHE 41 CO -0.02 -0.37 0.20 -0.91 -2.23 0.00 0.00 178.31 174.98 2aw4 h ASN 42 N -0.77 0.00 0.54 0.41 2.35 -1.44 -1.97 115.58 114.70 2aw4 h ASN 42 Ca -0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2aw4 h ASN 42 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2aw4 h ASN 42 CO 0.12 0.00 -0.37 0.00 -1.65 0.00 0.00 177.43 175.53 2aw4 h ALA 43 N 1.80 -1.15 0.00 -0.83 0.00 -1.08 -2.75 119.26 115.25 2aw4 h ALA 43 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2aw4 h ALA 43 Cb 0.50 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2aw4 h ALA 43 CO -0.00 -1.13 -0.69 -0.22 0.00 0.00 0.00 179.25 177.21 2aw4 h LYS 44 N -0.85 0.00 0.00 0.00 3.64 -1.56 -3.25 116.57 114.54 2aw4 h LYS 44 Ca -0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2aw4 h LYS 44 Cb 0.70 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2aw4 h LYS 44 CO 0.05 0.69 -0.14 1.15 -2.27 0.00 0.00 179.45 178.94 2aw4 h THR 45 N 0.00 1.05 -0.28 1.00 2.02 -1.34 -0.99 112.91 114.37 2aw4 h THR 45 Ca -0.01 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2aw4 h THR 45 Cb 1.26 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2aw4 h THR 45 CO 0.09 0.13 0.10 0.44 0.37 0.00 0.00 175.52 176.65 2aw4 h ASP 46 N 0.00 0.40 0.40 4.18 3.32 -1.52 -0.70 116.42 122.49 2aw4 h ASP 46 Ca -0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 2aw4 h ASP 46 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2aw4 h ASP 46 CO 0.02 0.48 -0.19 -1.28 -1.72 0.00 0.00 179.24 176.54 2aw4 h SER 47 N 0.30 -0.45 -0.22 6.45 0.87 -1.59 -3.23 113.55 115.67 2aw4 h SER 47 Ca 0.09 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 2aw4 h SER 47 Cb 0.21 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 2aw4 h SER 47 CO -0.01 -0.13 -0.34 0.40 -0.53 0.00 0.00 176.83 176.22 2aw4 h ILE 48 N -0.80 0.24 0.00 2.23 2.04 -1.21 -3.45 117.51 116.56 2aw4 h ILE 48 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2aw4 h ILE 48 Cb 0.53 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2aw4 h ILE 48 CO 0.09 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.40 2aw4 n GLU 49 N -5.42 0.00 -4.09 2.37 0.28 -0.27 -5.10 120.64 108.42 2aw4 n GLU 49 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.73 2aw4 n GLU 49 Cb 0.34 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.16 2aw4 n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2aw4 s LYS 50 N -0.16 2.92 0.00 3.44 1.02 -1.25 -4.51 119.74 121.20 2aw4 s LYS 50 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2aw4 s LYS 50 Cb 0.00 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2aw4 s LYS 50 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2aw4 n GLY 51 N -0.56 2.47 3.32 -3.33 0.00 -1.26 -5.00 105.19 100.83 2aw4 n GLY 51 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2aw4 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw4 s LEU 52 N 0.00 2.67 0.01 0.99 1.02 -1.26 -4.88 118.68 117.22 2aw4 s LEU 52 Ca 0.00 -0.39 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 2aw4 s LEU 52 Cb 0.00 -1.62 -0.07 0.00 0.02 0.00 0.00 46.19 44.52 2aw4 s LEU 52 CO 0.00 0.10 1.74 -2.84 0.02 0.00 0.00 176.35 175.37 2aw4 s PRO 53 N 0.75 4.17 -0.17 1.29 0.02 -1.26 -3.01 135.00 136.79 2aw4 s PRO 53 Ca -0.05 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 2aw4 s PRO 53 Cb -0.15 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.45 2aw4 s PRO 53 CO 0.01 -0.85 -0.14 0.42 -0.33 0.00 0.00 177.00 176.11 2aw4 s ILE 54 N 3.75 2.64 0.27 2.83 1.01 -0.75 -4.42 121.20 126.53 2aw4 s ILE 54 Ca 0.78 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 2aw4 s ILE 54 Cb -0.38 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.87 2aw4 s ILE 54 CO 0.34 0.50 1.10 -2.16 0.00 0.00 0.00 174.94 174.73 2aw4 s PRO 55 N 1.04 4.63 0.06 2.79 0.04 -1.26 -2.90 135.00 139.40 2aw4 s PRO 55 Ca -0.01 1.80 0.05 0.00 0.04 0.00 0.00 61.00 62.88 2aw4 s PRO 55 Cb -0.15 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2aw4 s PRO 55 CO -0.04 0.19 -0.14 0.54 0.04 0.00 0.00 177.00 177.59 2aw4 s VAL 56 N -1.04 1.10 -0.40 -0.36 0.11 0.49 -3.19 120.40 117.11 2aw4 s VAL 56 Ca 0.45 -1.18 -0.07 0.00 -2.93 0.00 0.00 61.98 58.25 2aw4 s VAL 56 Cb -0.32 -1.04 0.08 0.00 -1.53 0.00 0.00 36.38 33.58 2aw4 s VAL 56 CO 0.40 -0.14 0.21 -0.69 -3.33 0.00 0.00 175.10 171.55 2aw4 s VAL 57 N -1.11 3.81 0.07 2.04 1.01 -1.12 -2.03 120.40 123.07 2aw4 s VAL 57 Ca -0.01 -1.57 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 2aw4 s VAL 57 Cb -0.09 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2aw4 s VAL 57 CO 0.02 -0.50 0.92 -0.63 0.00 0.00 0.00 175.10 174.91 2aw4 s ILE 58 N 1.33 4.65 -0.26 2.22 1.09 0.10 -3.00 121.20 127.33 2aw4 s ILE 58 Ca 0.03 1.97 0.03 0.00 -1.10 0.00 0.00 60.65 61.58 2aw4 s ILE 58 Cb -0.22 -4.28 0.06 0.00 -1.06 0.00 0.00 42.46 36.96 2aw4 s ILE 58 CO -0.00 0.29 -0.09 -0.89 -0.10 0.00 0.00 174.94 174.14 2aw4 s THR 59 N 0.25 2.06 0.02 2.92 2.01 0.25 -0.50 115.64 122.65 2aw4 s THR 59 Ca 0.46 -1.60 -0.06 0.00 0.31 0.00 0.00 61.69 60.80 2aw4 s THR 59 Cb -0.22 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2aw4 s THR 59 CO 0.28 -0.07 0.27 -0.69 -0.69 0.00 0.00 174.62 173.72 2aw4 s VAL 60 N 1.14 5.30 0.56 3.82 1.01 -1.22 -0.64 120.40 130.37 2aw4 s VAL 60 Ca -0.08 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2aw4 s VAL 60 Cb -0.20 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.67 2aw4 s VAL 60 CO -0.05 0.34 0.59 -0.31 0.00 0.00 0.00 175.10 175.67 2aw4 s TYR 61 N -1.32 1.52 0.46 5.22 2.02 0.12 -4.63 117.35 120.74 2aw4 s TYR 61 Ca 0.28 -0.79 0.14 0.00 -0.37 0.00 0.00 57.07 56.34 2aw4 s TYR 61 Cb -0.13 -2.05 1.03 0.00 -0.40 0.00 0.00 41.96 40.41 2aw4 s TYR 61 CO 0.17 -0.80 2.01 0.00 -1.57 0.00 0.00 175.55 175.37 2aw4 h ALA 62 N 0.48 1.74 0.00 3.71 0.00 -1.99 0.73 119.26 123.93 2aw4 h ALA 62 Ca -0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2aw4 h ALA 62 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2aw4 h ALA 62 CO 0.49 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 2aw4 n ASP 63 N -4.36 0.00 -0.47 0.00 8.00 -1.26 -4.75 116.55 113.71 2aw4 n ASP 63 Ca -0.02 0.30 -0.06 0.00 0.71 0.00 0.00 54.79 55.71 2aw4 n ASP 63 Cb 0.22 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2aw4 n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2aw4 n ARG 64 N -1.38 -1.45 -2.05 -1.24 -4.01 0.26 -4.97 116.66 101.82 2aw4 n ARG 64 Ca 0.04 0.65 -0.28 0.00 -1.04 0.00 0.00 57.85 57.22 2aw4 n ARG 64 Cb 0.10 -4.86 0.09 0.00 -3.04 0.00 0.00 32.46 24.75 2aw4 n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2aw4 s SER 65 N -2.30 4.49 0.22 2.89 0.15 -1.25 -4.48 113.70 113.42 2aw4 s SER 65 Ca 0.00 0.56 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 2aw4 s SER 65 Cb 0.00 -1.07 0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2aw4 s SER 65 CO 0.00 -1.86 0.62 0.72 1.20 0.00 0.00 173.24 173.93 2aw4 s PHE 66 N -3.46 -0.27 0.19 3.44 -0.12 -1.26 0.16 117.98 116.67 2aw4 s PHE 66 Ca 0.63 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 2aw4 s PHE 66 Cb -0.10 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2aw4 s PHE 66 CO 0.47 -1.03 0.06 -0.08 -0.05 0.00 0.00 175.22 174.60 2aw4 s THR 67 N -3.86 0.37 -0.14 -4.49 -1.32 0.19 -4.95 115.64 101.44 2aw4 s THR 67 Ca 0.08 -1.97 -0.26 0.00 -1.21 0.00 0.00 61.69 58.33 2aw4 s THR 67 Cb -0.03 -2.30 0.06 0.00 -1.51 0.00 0.00 72.50 68.72 2aw4 s THR 67 CO -0.02 -0.26 0.64 0.72 -2.21 0.00 0.00 174.62 173.49 2aw4 s PHE 68 N -3.88 -0.65 -0.13 9.09 -0.71 -1.26 0.86 117.98 121.29 2aw4 s PHE 68 Ca 0.30 1.37 -0.01 0.00 -1.04 0.00 0.00 56.93 57.56 2aw4 s PHE 68 Cb 0.07 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2aw4 s PHE 68 CO 0.07 -0.46 -0.11 0.08 -1.34 0.00 0.00 175.22 173.46 2aw4 s VAL 69 N -0.45 3.22 -0.29 -2.49 1.01 -1.16 -4.95 120.40 115.29 2aw4 s VAL 69 Ca -0.06 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2aw4 s VAL 69 Cb -0.03 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2aw4 s VAL 69 CO 0.05 0.52 0.45 -0.89 0.00 0.00 0.00 175.10 175.23 2aw4 s THR 70 N 0.30 5.11 0.00 3.92 2.01 -1.26 -2.78 115.64 122.94 2aw4 s THR 70 Ca -0.09 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2aw4 s THR 70 Cb -0.15 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2aw4 s THR 70 CO 0.05 0.04 0.00 0.29 -0.69 0.00 0.00 174.62 174.31 2aw4 n LYS 71 N 5.49 1.45 -2.60 4.92 5.02 -1.19 -5.08 118.16 126.18 2aw4 n LYS 71 Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 2aw4 n LYS 71 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.50 2aw4 n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2aw4 s THR 72 N 1.07 4.83 0.62 -0.18 -4.23 -1.26 -4.66 115.64 111.82 2aw4 s THR 72 Ca 0.00 0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 2aw4 s THR 72 Cb 0.00 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 2aw4 s THR 72 CO 0.00 -0.77 1.29 -2.16 -0.54 0.00 0.00 174.62 172.44 2aw4 s PRO 73 N -4.48 2.72 0.75 3.99 0.04 -1.26 -4.46 135.00 132.30 2aw4 s PRO 73 Ca 0.50 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 2aw4 s PRO 73 Cb -0.10 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2aw4 s PRO 73 CO 0.41 -1.47 0.58 -2.30 0.04 0.00 0.00 177.00 174.26 2aw4 n PRO 74 N -1.69 0.26 -0.21 0.56 -0.02 -1.26 -4.79 135.00 127.84 2aw4 n PRO 74 Ca 0.15 0.13 -0.08 0.00 -2.02 0.00 0.00 63.50 61.68 2aw4 n PRO 74 Cb 0.48 -1.89 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2aw4 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw4 h ALA 75 N -0.49 0.77 -0.50 3.55 0.00 -1.99 -2.45 119.26 118.16 2aw4 h ALA 75 Ca -0.45 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.31 2aw4 h ALA 75 Cb 1.34 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2aw4 h ALA 75 CO 0.42 0.42 0.23 0.00 0.00 0.00 0.00 179.25 180.32 2aw4 h ALA 76 N 1.06 0.63 -0.21 0.00 0.00 -1.93 -0.26 119.26 118.54 2aw4 h ALA 76 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2aw4 h ALA 76 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2aw4 h ALA 76 CO -0.01 -0.14 0.03 -0.39 0.00 0.00 0.00 179.25 178.75 2aw4 h VAL 77 N 0.45 1.23 -0.60 0.00 -1.51 -1.88 -0.78 116.25 113.15 2aw4 h VAL 77 Ca 0.23 -0.75 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 2aw4 h VAL 77 Cb 0.17 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 2aw4 h VAL 77 CO -0.18 0.23 0.34 -0.07 -1.23 0.00 0.00 177.57 176.66 2aw4 h LEU 78 N 0.15 0.73 -0.71 4.19 3.38 -1.20 -1.03 115.31 120.81 2aw4 h LEU 78 Ca 0.06 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2aw4 h LEU 78 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2aw4 h LEU 78 CO 0.00 0.58 -0.33 -0.07 0.09 0.00 0.00 178.44 178.71 2aw4 h LEU 79 N 0.83 0.64 -0.27 1.67 3.38 -0.83 -0.34 115.31 120.39 2aw4 h LEU 79 Ca 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2aw4 h LEU 79 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2aw4 h LEU 79 CO -0.04 0.92 0.09 0.11 0.09 0.00 0.00 178.44 179.61 2aw4 h LYS 80 N 0.52 0.41 -0.46 1.13 1.57 -0.01 0.32 116.57 120.05 2aw4 h LYS 80 Ca 0.06 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2aw4 h LYS 80 Cb 0.82 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2aw4 h LYS 80 CO 0.07 0.47 -0.11 1.57 -0.57 0.00 0.00 179.45 180.88 2aw4 h LYS 81 N 0.27 0.89 -0.67 3.15 2.10 -1.14 0.27 116.57 121.44 2aw4 h LYS 81 Ca 0.09 -0.34 -0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2aw4 h LYS 81 Cb 0.23 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 2aw4 h LYS 81 CO -0.00 0.98 0.40 0.00 -2.00 0.00 0.00 179.45 178.83 2aw4 h ALA 82 N 0.88 0.85 0.00 0.07 0.00 -0.89 -1.08 119.26 119.09 2aw4 h ALA 82 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2aw4 h ALA 82 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2aw4 h ALA 82 CO 0.04 0.32 -0.37 0.00 0.00 0.00 0.00 179.25 179.25 2aw4 h ALA 83 N 1.21 1.18 0.00 0.00 0.00 -0.10 -3.47 119.26 118.08 2aw4 h ALA 83 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2aw4 h ALA 83 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2aw4 h ALA 83 CO -0.05 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2aw4 n GLY 84 N -0.17 0.54 3.74 0.00 0.00 0.80 -4.73 105.19 105.38 2aw4 n GLY 84 Ca -0.01 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2aw4 n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aw4 s ILE 85 N -2.00 4.12 -0.03 -0.61 -4.36 -0.27 -5.00 121.20 113.05 2aw4 s ILE 85 Ca 0.00 -1.32 -0.10 0.00 -0.26 0.00 0.00 60.65 58.97 2aw4 s ILE 85 Cb 0.00 -3.12 -0.31 0.00 1.25 0.00 0.00 42.46 40.29 2aw4 s ILE 85 CO 0.00 -0.16 0.73 0.11 0.24 0.00 0.00 174.94 175.86 2aw4 h LYS 86 N 2.35 0.39 -4.93 0.37 1.57 -1.97 -3.38 116.57 110.97 2aw4 h LYS 86 Ca -0.47 -0.67 -0.35 0.00 -1.87 0.00 0.00 60.65 57.28 2aw4 h LYS 86 Cb 1.21 0.25 -0.14 0.00 0.08 0.00 0.00 32.23 33.63 2aw4 h LYS 86 CO 0.61 1.31 -0.63 -1.12 -0.57 0.00 0.00 179.45 179.05 2aw4 s SER 87 N -7.28 1.37 1.20 0.86 0.01 -1.26 -5.04 113.70 103.55 2aw4 s SER 87 Ca -0.14 -1.33 -0.20 0.00 1.31 0.00 0.00 55.95 55.58 2aw4 s SER 87 Cb 0.05 0.12 0.29 0.00 0.21 0.00 0.00 66.02 66.69 2aw4 s SER 87 CO 0.87 -0.67 1.17 -0.83 0.41 0.00 0.00 173.24 174.19 2aw4 s GLY 88 N -3.31 1.65 0.25 3.44 0.00 -1.26 -4.98 107.32 103.11 2aw4 s GLY 88 Ca 0.35 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 2aw4 s GLY 88 CO 0.12 -0.23 1.86 0.23 0.00 0.00 0.00 173.10 175.08 2aw4 h SER 89 N -2.54 1.03 0.00 1.64 0.87 -1.16 -3.47 113.55 109.93 2aw4 h SER 89 Ca -0.42 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2aw4 h SER 89 Cb 1.27 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2aw4 h SER 89 CO 0.28 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 178.04 2aw4 n GLY 90 N -1.10 2.07 2.29 5.77 0.00 -1.26 -4.64 105.19 108.32 2aw4 n GLY 90 Ca 0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2aw4 n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aw4 n LYS 91 N 0.00 0.62 -1.54 1.61 2.85 -1.26 -5.14 118.16 115.31 2aw4 n LYS 91 Ca 0.00 -3.05 -0.44 0.00 -1.05 0.00 0.00 58.31 53.77 2aw4 n LYS 91 Cb 0.00 -1.32 -0.01 0.00 -0.65 0.00 0.00 35.03 33.06 2aw4 n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2aw4 n PRO 92 N 1.71 1.00 0.00 -1.58 -0.02 -1.26 -1.89 135.00 132.96 2aw4 n PRO 92 Ca 0.21 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2aw4 n PRO 92 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2aw4 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2aw4 n ASN 93 N 1.19 0.00 -0.04 2.55 5.03 -1.26 -4.52 115.26 118.21 2aw4 n ASN 93 Ca 0.11 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.42 2aw4 n ASN 93 Cb 0.34 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.02 2aw4 n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2aw4 h LYS 94 N 0.00 0.26 -4.15 3.52 1.57 -1.90 -3.43 116.57 112.44 2aw4 h LYS 94 Ca 0.00 -0.18 -0.48 0.00 -1.87 0.00 0.00 60.65 58.13 2aw4 h LYS 94 Cb 0.00 0.03 -0.36 0.00 0.08 0.00 0.00 32.23 31.98 2aw4 h LYS 94 CO 0.00 0.78 -0.79 0.34 -0.57 0.00 0.00 179.45 179.21 2aw4 s ASP 95 N -6.16 1.66 -0.30 0.86 -1.08 -0.79 -5.11 116.67 105.75 2aw4 s ASP 95 Ca -0.15 -0.22 -0.23 0.00 -0.52 0.00 0.00 52.55 51.44 2aw4 s ASP 95 Cb 0.03 -0.66 -0.00 0.00 -1.46 0.00 0.00 42.92 40.83 2aw4 s ASP 95 CO 0.74 -0.08 0.75 -0.54 0.52 0.00 0.00 175.17 176.56 2aw4 s LYS 96 N 1.31 3.97 0.13 4.34 3.01 -1.26 -4.58 119.74 126.66 2aw4 s LYS 96 Ca -0.04 0.54 0.12 0.00 -1.01 0.00 0.00 55.97 55.58 2aw4 s LYS 96 Cb -0.14 -3.72 -0.12 0.00 -1.01 0.00 0.00 37.83 32.84 2aw4 s LYS 96 CO -0.03 -0.64 1.17 0.28 0.51 0.00 0.00 175.35 176.64 2aw4 h VAL 97 N 5.57 1.16 -2.42 3.17 2.07 -1.57 -3.49 116.25 120.74 2aw4 h VAL 97 Ca -0.25 -2.76 0.05 0.00 0.82 0.00 0.00 66.70 64.56 2aw4 h VAL 97 Cb 1.10 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2aw4 h VAL 97 CO 0.86 0.66 0.29 0.61 0.02 0.00 0.00 177.57 180.02 2aw4 n GLY 98 N 1.35 1.07 3.14 2.17 0.00 -1.22 -5.00 105.19 106.70 2aw4 n GLY 98 Ca -0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2aw4 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aw4 s LYS 99 N -2.05 0.71 -0.01 1.61 -2.85 -1.26 -1.97 119.74 113.92 2aw4 s LYS 99 Ca 0.13 -1.07 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 2aw4 s LYS 99 Cb -0.03 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2aw4 s LYS 99 CO 0.06 -0.18 -0.01 0.42 0.10 0.00 0.00 175.35 175.73 2aw4 s ILE 100 N -3.78 0.16 0.66 3.79 -1.09 0.20 -4.52 121.20 116.63 2aw4 s ILE 100 Ca 0.05 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.30 2aw4 s ILE 100 Cb 0.06 -0.18 -0.00 0.00 -1.58 0.00 0.00 42.46 40.76 2aw4 s ILE 100 CO -0.10 0.07 1.08 -0.94 -1.23 0.00 0.00 174.94 173.82 2aw4 s SER 101 N 0.27 5.27 0.45 3.58 1.04 -1.26 -0.64 113.70 122.41 2aw4 s SER 101 Ca -0.02 1.84 0.16 0.00 0.48 0.00 0.00 55.95 58.41 2aw4 s SER 101 Cb -0.05 -2.53 1.04 0.00 0.10 0.00 0.00 66.02 64.58 2aw4 s SER 101 CO -0.01 -1.52 1.99 -0.09 0.98 0.00 0.00 173.24 174.60 2aw4 h ARG 102 N -0.17 0.00 -0.25 4.02 2.43 -1.34 -2.42 114.38 116.64 2aw4 h ARG 102 Ca -0.46 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2aw4 h ARG 102 Cb 1.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2aw4 h ARG 102 CO 0.55 0.19 0.12 0.00 -1.51 0.00 0.00 179.97 179.32 2aw4 h ALA 103 N 1.81 0.29 -0.90 2.80 0.00 -1.91 -2.16 119.26 119.19 2aw4 h ALA 103 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2aw4 h ALA 103 Cb 0.35 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2aw4 h ALA 103 CO 0.02 -0.29 0.56 1.96 0.00 0.00 0.00 179.25 181.51 2aw4 h GLN 104 N 0.25 1.21 -1.00 0.00 4.20 -1.81 -1.37 115.11 116.58 2aw4 h GLN 104 Ca 0.10 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.80 2aw4 h GLN 104 Cb 0.04 -0.26 -0.07 0.00 0.30 0.00 0.00 27.48 27.48 2aw4 h GLN 104 CO -0.08 0.83 0.64 -0.07 -0.67 0.00 0.00 178.83 179.49 2aw4 h LEU 105 N 1.23 1.00 -0.58 1.46 3.38 -1.18 0.64 115.31 121.27 2aw4 h LEU 105 Ca 0.33 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 2aw4 h LEU 105 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2aw4 h LEU 105 CO -0.06 0.61 0.17 -0.61 0.09 0.00 0.00 178.44 178.63 2aw4 h GLN 106 N 1.12 0.91 0.05 1.13 4.15 -0.69 0.76 115.11 122.52 2aw4 h GLN 106 Ca 0.45 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.67 2aw4 h GLN 106 Cb 0.27 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2aw4 h GLN 106 CO -0.20 0.83 -0.07 0.93 -1.93 0.00 0.00 178.83 178.39 2aw4 h GLU 107 N 0.82 -0.14 -0.66 1.69 5.08 -0.23 0.25 114.58 121.39 2aw4 h GLU 107 Ca 0.18 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2aw4 h GLU 107 Cb 0.31 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2aw4 h GLU 107 CO -0.00 -0.10 0.34 0.82 -1.00 0.00 0.00 179.01 179.08 2aw4 h ILE 108 N -0.15 1.21 -0.69 3.13 2.04 -0.82 -0.09 117.51 122.15 2aw4 h ILE 108 Ca 0.01 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2aw4 h ILE 108 Cb 0.16 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2aw4 h ILE 108 CO -0.04 0.24 0.46 0.00 0.00 0.00 0.00 178.15 178.81 2aw4 h ALA 109 N 1.16 1.52 -0.03 1.87 0.00 -0.42 -1.02 119.26 122.34 2aw4 h ALA 109 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aw4 h ALA 109 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2aw4 h ALA 109 CO -0.03 0.44 0.01 1.96 0.00 0.00 0.00 179.25 181.63 2aw4 h GLN 110 N 0.92 0.06 0.04 0.00 4.20 0.62 -0.85 115.11 120.10 2aw4 h GLN 110 Ca 0.25 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.97 2aw4 h GLN 110 Cb -0.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2aw4 h GLN 110 CO -0.06 0.27 -0.12 1.15 -0.67 0.00 0.00 178.83 179.40 2aw4 h THR 111 N -0.17 0.71 0.00 -0.54 2.02 -0.42 -2.32 112.91 112.19 2aw4 h THR 111 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2aw4 h THR 111 Cb 0.24 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2aw4 h THR 111 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 2aw4 n LYS 112 N -5.24 0.56 -0.32 6.66 5.02 -0.45 -4.14 118.16 120.25 2aw4 n LYS 112 Ca -0.06 0.01 0.20 0.00 -2.02 0.00 0.00 58.31 56.44 2aw4 n LYS 112 Cb 0.17 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.07 2aw4 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aw4 h ALA 113 N 3.52 1.56 -0.68 7.82 0.00 -0.56 0.55 119.26 131.48 2aw4 h ALA 113 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2aw4 h ALA 113 Cb 0.19 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2aw4 h ALA 113 CO 0.00 -0.64 0.39 0.00 0.00 0.00 0.00 179.25 178.99 2aw4 h ALA 114 N 1.91 0.90 0.00 0.00 0.00 -1.78 -2.11 119.26 118.18 2aw4 h ALA 114 Ca 0.67 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.47 2aw4 h ALA 114 Cb 1.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2aw4 h ALA 114 CO -0.77 0.08 -0.55 -0.44 0.00 0.00 0.00 179.25 177.58 2aw4 h ASP 115 N 0.72 0.00 -4.00 0.00 3.32 -0.38 -3.46 116.42 112.62 2aw4 h ASP 115 Ca 0.30 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.88 2aw4 h ASP 115 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2aw4 h ASP 115 CO -0.17 0.55 0.39 -0.04 -1.72 0.00 0.00 179.24 178.24 2aw4 s MET 116 N -2.98 4.12 0.25 3.56 -1.94 0.67 -4.97 119.30 118.00 2aw4 s MET 116 Ca 0.03 1.38 0.22 0.00 -1.71 0.00 0.00 55.69 55.61 2aw4 s MET 116 Cb 0.08 -2.38 0.07 0.00 2.01 0.00 0.00 34.83 34.61 2aw4 s MET 116 CO 0.75 -0.16 1.17 1.79 -0.01 0.00 0.00 175.02 178.56 2aw4 h THR 117 N 2.01 0.09 -0.72 2.05 1.35 -1.90 -3.47 112.91 112.32 2aw4 h THR 117 Ca -0.49 -1.16 -0.58 0.00 -0.55 0.00 0.00 66.41 63.64 2aw4 h THR 117 Cb 1.21 1.71 0.03 0.00 -1.73 0.00 0.00 68.15 69.37 2aw4 h THR 117 CO 0.61 0.05 0.12 0.61 -0.25 0.00 0.00 175.52 176.67 2aw4 n GLY 118 N 1.19 -0.14 0.23 5.82 0.00 -1.26 -4.86 105.19 106.17 2aw4 n GLY 118 Ca -0.00 0.58 -0.16 0.00 0.00 0.00 0.00 46.02 46.43 2aw4 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 h ALA 119 N 2.41 0.37 -2.02 4.61 0.00 -1.95 -3.46 119.26 119.22 2aw4 h ALA 119 Ca -0.36 -0.57 -0.49 0.00 0.00 0.00 0.00 54.91 53.49 2aw4 h ALA 119 Cb 1.02 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2aw4 h ALA 119 CO 0.51 0.68 -0.64 -0.51 0.00 0.00 0.00 179.25 179.30 2aw4 s ASP 120 N -7.05 2.65 0.17 0.00 1.01 -1.26 -5.05 116.67 107.13 2aw4 s ASP 120 Ca -0.10 -1.29 -0.15 0.00 0.71 0.00 0.00 52.55 51.72 2aw4 s ASP 120 Cb 0.09 -0.14 0.06 0.00 1.01 0.00 0.00 42.92 43.94 2aw4 s ASP 120 CO 0.90 -0.48 1.82 0.40 0.21 0.00 0.00 175.17 178.02 2aw4 h ILE 121 N 2.17 1.09 -0.65 0.77 2.04 -2.00 -1.90 117.51 119.03 2aw4 h ILE 121 Ca -0.41 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.34 2aw4 h ILE 121 Cb 1.24 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 2aw4 h ILE 121 CO 0.70 0.11 0.29 -0.33 0.00 0.00 0.00 178.15 178.91 2aw4 h GLU 122 N 0.60 0.48 0.08 2.37 3.07 -1.99 -1.14 114.58 118.05 2aw4 h GLU 122 Ca 0.18 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 2aw4 h GLU 122 Cb -0.03 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2aw4 h GLU 122 CO -0.06 0.32 -0.16 0.00 -1.40 0.00 0.00 179.01 177.71 2aw4 h ALA 123 N 1.42 -0.25 -0.49 3.43 0.00 -1.78 -1.54 119.26 120.04 2aw4 h ALA 123 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2aw4 h ALA 123 Cb 0.37 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2aw4 h ALA 123 CO -0.29 -0.68 0.30 0.00 0.00 0.00 0.00 179.25 178.58 2aw4 h MET 124 N -0.31 0.65 -0.33 0.00 -0.00 -0.82 -1.94 114.93 112.19 2aw4 h MET 124 Ca 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 2aw4 h MET 124 Cb 0.33 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 2aw4 h MET 124 CO -0.10 0.46 0.09 1.15 -0.00 0.00 0.00 176.91 178.51 2aw4 h THR 125 N 0.67 1.21 -0.83 -0.10 2.02 -0.79 -1.49 112.91 113.61 2aw4 h THR 125 Ca 0.18 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.71 2aw4 h THR 125 Cb -0.03 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2aw4 h THR 125 CO -0.03 0.24 0.54 0.03 0.37 0.00 0.00 175.52 176.67 2aw4 h ARG 126 N 0.37 0.88 -0.46 6.66 3.08 -0.57 0.54 114.38 124.89 2aw4 h ARG 126 Ca 0.10 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2aw4 h ARG 126 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2aw4 h ARG 126 CO -0.00 0.58 -0.07 0.77 -1.07 0.00 0.00 179.97 180.18 2aw4 h SER 127 N 0.91 0.86 -0.55 7.04 0.02 -0.95 -2.66 113.55 118.23 2aw4 h SER 127 Ca 0.36 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2aw4 h SER 127 Cb 0.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2aw4 h SER 127 CO -0.13 1.00 0.32 0.40 -1.14 0.00 0.00 176.83 177.28 2aw4 h ILE 128 N 0.70 1.17 -0.86 3.27 1.08 -0.16 -2.04 117.51 120.66 2aw4 h ILE 128 Ca 0.12 -0.39 0.16 0.00 -0.39 0.00 0.00 64.86 64.37 2aw4 h ILE 128 Cb 0.61 0.44 -0.10 0.00 -3.07 0.00 0.00 36.82 34.69 2aw4 h ILE 128 CO 0.04 0.17 0.43 -0.33 -0.69 0.00 0.00 178.15 177.77 2aw4 h GLU 129 N 0.73 0.56 -0.79 2.37 5.08 -0.73 -0.58 114.58 121.23 2aw4 h GLU 129 Ca 0.20 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.66 2aw4 h GLU 129 Cb -0.00 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.03 2aw4 h GLU 129 CO -0.04 0.37 0.37 0.78 -1.00 0.00 0.00 179.01 179.50 2aw4 h GLY 130 N 0.58 1.25 0.84 -3.84 0.00 -1.02 -0.04 103.07 100.83 2aw4 h GLY 130 Ca 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 2aw4 h GLY 130 CO -0.40 -0.05 -0.02 -0.91 0.00 0.00 0.00 176.54 175.16 2aw4 h THR 131 N 0.55 1.27 -0.64 4.70 1.35 -1.11 -2.92 112.91 116.11 2aw4 h THR 131 Ca 0.43 -0.95 0.06 0.00 -0.55 0.00 0.00 66.41 65.40 2aw4 h THR 131 Cb 0.61 1.41 -0.05 0.00 -1.73 0.00 0.00 68.15 68.38 2aw4 h THR 131 CO -0.37 0.30 0.34 0.00 -0.25 0.00 0.00 175.52 175.54 2aw4 h ALA 132 N 0.79 0.85 -0.30 6.62 0.00 -0.75 -1.09 119.26 125.39 2aw4 h ALA 132 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2aw4 h ALA 132 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2aw4 h ALA 132 CO 0.02 0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.43 2aw4 h ARG 133 N 0.63 0.40 0.00 0.00 3.08 -0.99 -1.13 114.38 116.38 2aw4 h ARG 133 Ca 0.29 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 2aw4 h ARG 133 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2aw4 h ARG 133 CO -0.19 0.31 -0.45 0.77 -1.07 0.00 0.00 179.97 179.34 2aw4 h SER 134 N 0.41 0.00 -0.34 7.04 0.02 -1.03 -3.28 113.55 116.36 2aw4 h SER 134 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2aw4 h SER 134 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2aw4 h SER 134 CO -0.02 0.45 0.00 1.15 -1.14 0.00 0.00 176.83 177.27 2aw4 n MET 135 N -3.35 2.40 -2.10 3.45 0.00 -0.76 -4.64 117.12 112.12 2aw4 n MET 135 Ca 0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 57.70 55.56 2aw4 n MET 135 Cb 0.63 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.35 2aw4 n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2aw4 n GLY 136 N 1.45 0.21 3.19 3.17 0.00 -1.02 -0.61 105.19 111.58 2aw4 n GLY 136 Ca 0.19 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2aw4 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw4 s LEU 137 N -1.28 3.36 0.50 0.99 1.43 -0.49 -1.48 118.68 121.71 2aw4 s LEU 137 Ca 0.00 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 2aw4 s LEU 137 Cb -0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2aw4 s LEU 137 CO 0.00 -0.16 0.81 -0.69 0.23 0.00 0.00 176.35 176.55 2aw4 s VAL 138 N 1.30 4.63 -0.09 -1.59 1.01 -0.83 -4.05 120.40 120.78 2aw4 s VAL 138 Ca -0.01 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2aw4 s VAL 138 Cb -0.17 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2aw4 s VAL 138 CO -0.04 -0.77 -0.23 0.68 0.00 0.00 0.00 175.10 174.75 2aw4 s VAL 139 N -2.80 1.95 -0.18 2.92 -7.23 -1.25 0.59 120.40 114.40 2aw4 s VAL 139 Ca 0.49 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 2aw4 s VAL 139 Cb -0.10 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2aw4 s VAL 139 CO 0.45 0.54 0.37 -0.70 -0.31 0.00 0.00 175.10 175.45 2aw4 s GLU 140 N 0.29 4.21 0.00 4.82 2.56 0.19 -4.90 118.70 125.87 2aw4 s GLU 140 Ca -0.16 0.19 0.23 0.00 0.00 0.00 0.00 54.97 55.23 2aw4 s GLU 140 Cb -0.17 -3.50 0.18 0.00 2.00 0.00 0.00 34.13 32.64 2aw4 s GLU 140 CO 0.08 0.05 1.23 -3.47 -0.56 0.00 0.00 175.26 172.59