#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvo s ALA 12 N 0.00 2.93 -0.24 -1.84 0.00 -1.26 -5.01 121.76 116.34 2pvo s ALA 12 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2pvo s ALA 12 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2pvo s ALA 12 CO 0.00 -0.30 1.10 0.42 0.00 0.00 0.00 175.76 176.98 2pvo s ILE 13 N -2.27 4.56 0.76 0.00 1.01 -1.26 -5.02 121.20 118.96 2pvo s ILE 13 Ca 0.63 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 63.02 2pvo s ILE 13 Cb -0.13 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.12 2pvo s ILE 13 CO 0.25 -0.24 1.11 -0.69 0.00 0.00 0.00 174.94 175.37 2pvo s VAL 14 N 3.38 3.06 0.00 2.92 1.01 -1.26 -3.14 120.40 126.38 2pvo s VAL 14 Ca 0.47 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2pvo s VAL 14 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2pvo s VAL 14 CO 0.10 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2pvo n GLY 15 N -0.71 0.27 3.17 4.51 0.00 -1.26 -4.94 105.19 106.23 2pvo n GLY 15 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2pvo n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvo s LYS 16 N -0.99 0.83 -0.26 1.61 -0.14 -1.19 -3.16 119.74 116.45 2pvo s LYS 16 Ca 0.00 -1.21 -0.19 0.00 -1.36 0.00 0.00 55.97 53.22 2pvo s LYS 16 Cb 0.00 0.28 -0.02 0.00 -1.68 0.00 0.00 37.83 36.40 2pvo s LYS 16 CO 0.00 -0.24 0.55 0.08 -0.76 0.00 0.00 175.35 174.98 2pvo s VAL 17 N -3.95 5.04 -0.21 3.17 1.01 -1.26 -4.23 120.40 119.98 2pvo s VAL 17 Ca 0.13 0.91 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 2pvo s VAL 17 Cb 0.06 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2pvo s VAL 17 CO -0.06 0.05 0.12 -0.89 0.00 0.00 0.00 175.10 174.32 2pvo s THR 18 N 2.37 5.18 -0.09 3.92 2.01 0.25 -4.91 115.64 124.37 2pvo s THR 18 Ca 0.22 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 2pvo s THR 18 Cb -0.16 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2pvo s THR 18 CO 0.09 0.41 0.73 -0.70 -0.69 0.00 0.00 174.62 174.46 2pvo s GLU 19 N 0.63 4.40 0.31 4.92 2.12 -1.26 -0.55 118.70 129.27 2pvo s GLU 19 Ca 0.06 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2pvo s GLU 19 Cb -0.12 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2pvo s GLU 19 CO 0.01 -0.03 0.01 1.33 -0.54 0.00 0.00 175.26 176.03 2pvo n VAL 20 N 4.03 0.00 -4.12 3.70 0.24 -0.03 -4.91 118.33 117.24 2pvo n VAL 20 Ca -0.00 -1.48 -0.15 0.00 -2.04 0.00 0.00 64.34 60.67 2pvo n VAL 20 Cb 0.51 0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 33.12 2pvo n VAL 20 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2pvo n ASN 21 N -1.21 -1.04 0.14 -1.34 0.23 -1.26 -4.49 115.26 106.29 2pvo n ASN 21 Ca -0.13 -2.89 0.16 0.00 -0.53 0.00 0.00 54.58 51.19 2pvo n ASN 21 Cb 0.40 2.07 0.72 0.00 -2.08 0.00 0.00 39.78 40.88 2pvo n ASN 21 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2pvo h LYS 22 N 0.00 0.00 -0.01 -3.83 2.10 -1.90 -1.54 116.57 111.38 2pvo h LYS 22 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2pvo h LYS 22 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2pvo h LYS 22 CO 0.34 0.00 -0.21 -0.25 -2.00 0.00 0.00 179.45 177.32 2pvo n ASP 23 N -4.27 1.57 0.00 7.07 8.00 -1.26 -4.48 116.55 123.18 2pvo n ASP 23 Ca 0.03 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2pvo n ASP 23 Cb 0.36 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2pvo n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pvo n THR 24 N -0.10 0.00 0.24 -3.53 -2.24 -0.65 -4.84 114.28 103.17 2pvo n THR 24 Ca 0.13 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2pvo n THR 24 Cb 0.40 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 2pvo n THR 24 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pvo h PHE 25 N 0.00 -0.57 -0.19 4.78 3.57 -1.59 -2.88 116.94 120.06 2pvo h PHE 25 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2pvo h PHE 25 Cb 0.00 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2pvo h PHE 25 CO 0.00 -0.36 0.17 -1.49 -2.23 0.00 0.00 178.31 174.40 2pvo h TRP 26 N -0.62 0.00 -0.09 0.41 4.06 -1.86 -0.83 115.95 117.01 2pvo h TRP 26 Ca -0.06 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.71 2pvo h TRP 26 Cb 0.47 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2pvo h TRP 26 CO 0.12 0.00 -0.62 -1.35 -3.56 0.00 0.00 178.44 173.03 2pvo h PRO 27 N 0.00 0.59 -0.64 0.49 0.11 -1.88 -1.36 132.00 129.31 2pvo h PRO 27 Ca 0.09 -0.50 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 2pvo h PRO 27 Cb 0.43 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 2pvo h PRO 27 CO -0.00 1.13 0.13 0.82 -0.21 0.00 0.00 178.00 179.87 2pvo h ILE 28 N 0.21 1.26 0.01 4.15 2.04 -1.16 -2.55 117.51 121.46 2pvo h ILE 28 Ca -0.05 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2pvo h ILE 28 Cb 1.27 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2pvo h ILE 28 CO 0.13 0.36 -0.00 0.58 0.00 0.00 0.00 178.15 179.22 2pvo h VAL 29 N 0.95 1.20 0.00 1.67 2.07 -1.19 -2.13 116.25 118.82 2pvo h VAL 29 Ca 0.20 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2pvo h VAL 29 Cb 0.39 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2pvo h VAL 29 CO 0.01 0.16 0.00 1.17 0.02 0.00 0.00 177.57 178.93 2pvo n LYS 30 N -4.97 0.14 -0.07 1.57 4.81 -0.51 -1.46 118.16 117.67 2pvo n LYS 30 Ca -0.08 0.05 0.08 0.00 -0.87 0.00 0.00 58.31 57.49 2pvo n LYS 30 Cb 0.15 -1.50 0.11 0.00 0.02 0.00 0.00 35.03 33.81 2pvo n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pvo n ALA 31 N -1.06 2.20 0.05 3.14 0.00 -0.81 -4.58 120.51 119.45 2pvo n ALA 31 Ca 0.04 -2.27 0.10 0.00 0.00 0.00 0.00 53.44 51.31 2pvo n ALA 31 Cb 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2pvo n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pvo n ALA 32 N -1.22 2.55 -0.80 0.00 0.00 -0.54 -4.78 120.51 115.72 2pvo n ALA 32 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2pvo n ALA 32 Cb 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2pvo n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvo n GLY 33 N 1.24 0.99 0.08 0.00 0.00 -1.26 -2.47 105.19 103.77 2pvo n GLY 33 Ca -0.03 0.39 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 2pvo n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pvo n ASP 34 N 9.62 0.44 -4.72 1.61 8.00 -1.26 -4.36 116.55 125.89 2pvo n ASP 34 Ca 0.00 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 2pvo n ASP 34 Cb 0.00 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2pvo n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2pvo s LYS 35 N -2.78 4.18 0.45 -1.24 3.01 -1.03 -4.92 119.74 117.41 2pvo s LYS 35 Ca -0.06 2.44 -0.22 0.00 -1.01 0.00 0.00 55.97 57.12 2pvo s LYS 35 Cb 0.08 -3.17 -0.08 0.00 -1.01 0.00 0.00 37.83 33.65 2pvo s LYS 35 CO 0.83 -0.66 1.06 -2.14 0.51 0.00 0.00 175.35 174.95 2pvo s PRO 36 N 1.29 3.92 -0.04 -1.68 0.02 -1.26 -4.72 135.00 132.52 2pvo s PRO 36 Ca 0.72 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2pvo s PRO 36 Cb -0.45 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 2pvo s PRO 36 CO 0.32 -0.35 -0.01 0.08 -0.33 0.00 0.00 177.00 176.70 2pvo s VAL 37 N -1.78 4.11 -0.09 3.83 1.01 0.78 -1.73 120.40 126.54 2pvo s VAL 37 Ca 0.63 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2pvo s VAL 37 Cb -0.21 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2pvo s VAL 37 CO 0.25 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.95 2pvo s VAL 38 N -0.96 1.76 -0.16 2.92 1.01 -0.58 -0.73 120.40 123.67 2pvo s VAL 38 Ca 0.16 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2pvo s VAL 38 Cb -0.11 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 2pvo s VAL 38 CO 0.06 0.49 -0.14 -0.22 0.00 0.00 0.00 175.10 175.29 2pvo s LEU 39 N 0.42 2.55 -0.41 3.92 2.96 0.46 -0.94 118.68 127.63 2pvo s LEU 39 Ca -0.17 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.14 2pvo s LEU 39 Cb -0.17 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2pvo s LEU 39 CO 0.07 0.08 0.32 -0.62 -1.32 0.00 0.00 176.35 174.88 2pvo s ASP 40 N 0.84 6.12 -0.43 3.68 -1.08 -0.76 -1.71 116.67 123.33 2pvo s ASP 40 Ca -0.04 -0.87 -0.15 0.00 -0.52 0.00 0.00 52.55 50.97 2pvo s ASP 40 Cb -0.15 -2.17 0.04 0.00 -1.46 0.00 0.00 42.92 39.18 2pvo s ASP 40 CO -0.00 -0.47 0.33 -0.04 0.52 0.00 0.00 175.17 175.51 2pvo s MET 41 N 1.74 2.96 0.06 4.34 -1.94 -0.54 0.41 119.30 126.33 2pvo s MET 41 Ca 0.06 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2pvo s MET 41 Cb -0.19 -4.02 -0.00 0.00 2.01 0.00 0.00 34.83 32.63 2pvo s MET 41 CO 0.10 -0.86 0.02 1.97 -0.01 0.00 0.00 175.02 176.24 2pvo n PHE 42 N 5.16 0.04 -3.89 -0.03 -1.74 -0.51 -2.56 117.46 113.95 2pvo n PHE 42 Ca -0.12 -0.37 -0.11 0.00 -0.56 0.00 0.00 57.45 56.29 2pvo n PHE 42 Cb 0.46 -0.01 -0.11 0.00 1.52 0.00 0.00 39.48 41.33 2pvo n PHE 42 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2pvo s THR 43 N -1.67 0.06 0.50 1.97 -4.23 -1.26 0.11 115.64 111.12 2pvo s THR 43 Ca 0.02 -0.48 0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2pvo s THR 43 Cb 0.00 -0.28 0.25 0.00 1.34 0.00 0.00 72.50 73.81 2pvo s THR 43 CO 0.02 -0.26 2.11 1.56 -0.54 0.00 0.00 174.62 177.50 2pvo h GLN 44 N 5.04 0.01 -1.06 3.99 1.08 -1.98 -3.26 115.11 118.93 2pvo h GLN 44 Ca -0.29 -0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.34 2pvo h GLN 44 Cb 1.20 -0.00 -0.42 0.00 -0.05 0.00 0.00 27.48 28.21 2pvo h GLN 44 CO 0.42 0.06 -0.72 0.91 -0.95 0.00 0.00 178.83 178.55 2pvo n TRP 45 N -4.48 3.01 -3.92 2.96 7.02 -1.26 -4.96 117.44 115.81 2pvo n TRP 45 Ca -0.03 -2.57 -0.34 0.00 -1.02 0.00 0.00 57.50 53.54 2pvo n TRP 45 Cb 0.13 -0.28 -0.14 0.00 -2.42 0.00 0.00 31.31 28.60 2pvo n TRP 45 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2pvo n GLY 47 N 4.54 -1.91 0.32 0.00 0.00 -1.26 -1.00 105.19 105.88 2pvo n GLY 47 Ca -0.09 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.36 2pvo n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pvo h PRO 48 N 0.00 0.02 -0.22 1.61 0.13 -1.96 0.43 132.00 132.00 2pvo h PRO 48 Ca 0.00 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2pvo h PRO 48 Cb 0.00 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.05 2pvo h PRO 48 CO 0.00 0.01 -0.28 1.03 -0.23 0.00 0.00 178.00 178.53 2pvo h SER 49 N 0.02 -0.90 -0.72 1.44 0.87 -1.31 0.81 113.55 113.76 2pvo h SER 49 Ca 0.45 0.15 0.12 0.00 -1.23 0.00 0.00 61.79 61.28 2pvo h SER 49 Cb 0.76 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 2pvo h SER 49 CO -0.86 -0.31 0.48 0.50 -0.53 0.00 0.00 176.83 176.11 2pvo h LYS 50 N -0.30 0.49 -0.50 2.24 3.11 0.48 0.41 116.57 122.50 2pvo h LYS 50 Ca 0.13 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.85 2pvo h LYS 50 Cb 0.50 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2pvo h LYS 50 CO -0.40 0.32 -0.05 0.00 -2.81 0.00 0.00 179.45 176.52 2pvo h ALA 51 N 1.65 0.96 -0.01 5.00 0.00 0.13 -2.97 119.26 124.02 2pvo h ALA 51 Ca 0.34 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2pvo h ALA 51 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pvo h ALA 51 CO -0.12 0.62 -0.74 0.52 0.00 0.00 0.00 179.25 179.53 2pvo h MET 52 N 0.81 0.10 -0.41 0.00 2.86 0.35 -3.38 114.93 115.27 2pvo h MET 52 Ca 0.14 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2pvo h MET 52 Cb 0.55 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 2pvo h MET 52 CO 0.03 0.79 -0.24 0.00 1.06 0.00 0.00 176.91 178.56 2pvo n ALA 53 N -2.43 -0.26 0.01 6.32 0.00 -0.23 0.11 120.51 124.03 2pvo n ALA 53 Ca -0.02 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 2pvo n ALA 53 Cb 0.71 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.27 2pvo n ALA 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2pvo h PRO 54 N 0.00 -0.28 0.00 0.00 0.11 -1.75 -0.24 132.00 129.84 2pvo h PRO 54 Ca 0.06 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2pvo h PRO 54 Cb 0.17 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2pvo h PRO 54 CO -0.38 -0.19 -0.15 0.87 -0.21 0.00 0.00 178.00 177.94 2pvo h LYS 55 N -0.29 0.00 -0.06 1.05 1.57 -1.51 -2.30 116.57 115.03 2pvo h LYS 55 Ca 0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 2pvo h LYS 55 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2pvo h LYS 55 CO -0.28 0.15 -0.80 -0.92 -0.57 0.00 0.00 179.45 177.03 2pvo h TYR 56 N 0.00 0.62 0.71 -1.35 3.20 0.24 -2.98 116.97 117.42 2pvo h TYR 56 Ca -0.00 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 2pvo h TYR 56 Cb 0.37 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.55 2pvo h TYR 56 CO 0.00 1.08 -0.34 0.93 -1.64 0.00 0.00 178.16 178.19 2pvo h GLU 57 N 0.29 -0.92 -1.12 1.82 5.08 -0.62 -2.97 114.58 116.14 2pvo h GLU 57 Ca -0.05 0.06 0.31 0.00 -1.00 0.00 0.00 59.36 58.69 2pvo h GLU 57 Cb 1.40 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.79 2pvo h GLU 57 CO 0.14 -0.59 0.77 0.87 -1.00 0.00 0.00 179.01 179.20 2pvo h LYS 58 N -1.09 0.13 -0.49 2.33 1.79 -1.54 0.62 116.57 118.32 2pvo h LYS 58 Ca -0.10 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2pvo h LYS 58 Cb 0.76 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2pvo h LYS 58 CO 0.16 0.09 0.16 -0.07 -1.08 0.00 0.00 179.45 178.71 2pvo h LEU 59 N 0.14 0.72 -0.24 2.94 3.38 -1.37 0.13 115.31 121.01 2pvo h LEU 59 Ca 0.57 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.36 2pvo h LEU 59 Cb 1.97 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2pvo h LEU 59 CO -0.12 0.73 0.09 0.00 0.09 0.00 0.00 178.44 179.23 2pvo h ALA 60 N 1.01 0.27 0.00 1.53 0.00 0.30 0.28 119.26 122.65 2pvo h ALA 60 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2pvo h ALA 60 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pvo h ALA 60 CO -0.01 -0.33 -0.20 0.93 0.00 0.00 0.00 179.25 179.64 2pvo h GLU 61 N 0.20 0.00 0.12 0.00 5.08 -0.96 -3.22 114.58 115.80 2pvo h GLU 61 Ca 0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.12 2pvo h GLU 61 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2pvo h GLU 61 CO -0.10 0.20 -1.84 0.93 -1.00 0.00 0.00 179.01 177.20 2pvo h GLU 62 N 0.00 0.25 -3.56 2.33 5.08 0.13 -3.42 114.58 115.40 2pvo h GLU 62 Ca -0.00 -0.43 -0.75 0.00 -1.00 0.00 0.00 59.36 57.18 2pvo h GLU 62 Cb 0.43 0.16 -0.31 0.00 0.50 0.00 0.00 28.75 29.53 2pvo h GLU 62 CO 0.03 1.12 0.05 0.71 -1.00 0.00 0.00 179.01 179.92 2pvo s TYR 63 N -2.58 3.87 -1.42 4.33 2.02 0.89 -4.87 117.35 119.60 2pvo s TYR 63 Ca -0.16 -2.62 0.14 0.00 -0.37 0.00 0.00 57.07 54.06 2pvo s TYR 63 Cb 0.07 -3.54 0.71 0.00 -0.40 0.00 0.00 41.96 38.79 2pvo s TYR 63 CO 0.81 -0.88 1.38 1.28 -1.57 0.00 0.00 175.55 176.57 2pvo n LEU 64 N 3.06 0.00 -2.07 -1.29 4.77 -1.26 -2.65 117.00 117.55 2pvo n LEU 64 Ca 0.18 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 2pvo n LEU 64 Cb 0.40 -0.29 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2pvo n LEU 64 CO 0.38 -0.16 1.02 -0.90 -1.33 0.00 0.00 177.39 176.40 2pvo n ASP 65 N -1.29 5.74 -3.65 -1.43 5.75 -1.26 -4.65 116.55 115.75 2pvo n ASP 65 Ca 0.07 -3.76 -0.03 0.00 -0.01 0.00 0.00 54.79 51.06 2pvo n ASP 65 Cb 0.11 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.39 2pvo n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pvo s VAL 66 N -4.33 -0.81 -0.11 2.12 1.01 -1.08 -4.24 120.40 112.94 2pvo s VAL 66 Ca 0.58 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2pvo s VAL 66 Cb 0.47 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2pvo s VAL 66 CO 0.02 0.01 1.24 -0.63 0.00 0.00 0.00 175.10 175.74 2pvo s ILE 67 N 2.68 4.26 -0.21 2.22 1.09 -0.70 -4.69 121.20 125.84 2pvo s ILE 67 Ca -0.06 1.55 -0.08 0.00 -1.10 0.00 0.00 60.65 60.96 2pvo s ILE 67 Cb -0.11 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 2pvo s ILE 67 CO -0.18 -0.08 0.09 -0.36 -0.10 0.00 0.00 174.94 174.31 2pvo s PHE 68 N 2.92 3.21 0.33 3.97 0.40 -1.26 -1.52 117.98 126.04 2pvo s PHE 68 Ca 0.55 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 2pvo s PHE 68 Cb -0.23 -2.17 -0.07 0.00 0.51 0.00 0.00 43.02 41.06 2pvo s PHE 68 CO 0.18 -0.01 0.02 -0.51 0.70 0.00 0.00 175.22 175.60 2pvo s LEU 69 N 0.89 2.40 -0.04 -0.37 1.43 -0.12 -0.59 118.68 122.28 2pvo s LEU 69 Ca 0.05 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 51.74 2pvo s LEU 69 Cb -0.14 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.54 2pvo s LEU 69 CO 0.03 -0.52 0.16 -1.59 0.23 0.00 0.00 176.35 174.66 2pvo s LYS 70 N -3.82 0.32 -0.14 1.70 -2.85 0.29 -1.83 119.74 113.42 2pvo s LYS 70 Ca 0.35 -0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 55.30 2pvo s LYS 70 Cb 0.08 0.14 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2pvo s LYS 70 CO 0.15 -0.06 -0.08 -1.17 0.10 0.00 0.00 175.35 174.29 2pvo s LEU 71 N -0.51 1.43 -0.16 2.77 2.96 0.17 -0.85 118.68 124.50 2pvo s LEU 71 Ca -0.06 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 2pvo s LEU 71 Cb -0.04 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 2pvo s LEU 71 CO 0.01 -0.12 1.30 -0.62 -1.32 0.00 0.00 176.35 175.59 2pvo s ASP 72 N 1.63 6.91 -0.72 3.68 -1.08 -1.26 -1.42 116.67 124.41 2pvo s ASP 72 Ca 0.04 1.73 -0.05 0.00 -0.52 0.00 0.00 52.55 53.75 2pvo s ASP 72 Cb -0.13 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.85 2pvo s ASP 72 CO -0.09 -0.78 2.70 0.00 0.52 0.00 0.00 175.17 177.52 2pvo n ASN 74 N 1.27 0.00 -0.04 0.00 0.23 -1.26 -4.92 115.26 110.53 2pvo n ASN 74 Ca 0.53 -0.01 0.13 0.00 -0.53 0.00 0.00 54.58 54.70 2pvo n ASN 74 Cb 0.47 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.54 2pvo n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pvo n GLN 75 N -0.01 0.18 0.04 -3.83 6.02 -1.26 -2.75 117.38 115.77 2pvo n GLN 75 Ca 0.00 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 2pvo n GLN 75 Cb 0.00 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.63 2pvo n GLN 75 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2pvo h GLU 76 N 0.22 0.06 -0.38 -1.09 4.81 -1.94 -3.29 114.58 112.97 2pvo h GLU 76 Ca 0.00 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2pvo h GLU 76 Cb 0.49 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2pvo h GLU 76 CO 0.00 0.91 0.03 0.09 -0.73 0.00 0.00 179.01 179.30 2pvo n ASN 77 N -3.30 4.24 -0.35 1.04 3.02 -1.23 -4.71 115.26 113.97 2pvo n ASN 77 Ca -0.08 -3.09 0.12 0.00 -0.03 0.00 0.00 54.58 51.50 2pvo n ASN 77 Cb 0.99 -0.60 0.31 0.00 -0.61 0.00 0.00 39.78 39.87 2pvo n ASN 77 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2pvo h LYS 78 N 2.25 0.79 -0.25 3.52 2.10 -1.59 -1.72 116.57 121.67 2pvo h LYS 78 Ca 0.05 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2pvo h LYS 78 Cb 1.67 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 2pvo h LYS 78 CO 0.35 0.52 -0.44 1.79 -2.00 0.00 0.00 179.45 179.67 2pvo h THR 79 N 0.81 1.30 -0.12 0.07 1.35 -1.89 -1.70 112.91 112.73 2pvo h THR 79 Ca 0.56 -1.63 -0.14 0.00 -0.55 0.00 0.00 66.41 64.65 2pvo h THR 79 Cb 0.82 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2pvo h THR 79 CO -0.35 0.52 -0.46 0.25 -0.25 0.00 0.00 175.52 175.22 2pvo h LEU 80 N 0.50 0.62 -1.13 3.87 5.85 -1.83 -1.40 115.31 121.79 2pvo h LEU 80 Ca 0.03 -0.62 0.13 0.00 0.84 0.00 0.00 57.88 58.27 2pvo h LEU 80 Cb 0.97 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 2pvo h LEU 80 CO 0.09 1.13 0.61 0.00 -0.34 0.00 0.00 178.44 179.93 2pvo h ALA 81 N 0.50 1.65 -0.05 1.25 0.00 -1.28 0.23 119.26 121.56 2pvo h ALA 81 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2pvo h ALA 81 Cb 1.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2pvo h ALA 81 CO 0.10 0.10 -0.85 -0.22 0.00 0.00 0.00 179.25 178.38 2pvo h LYS 82 N 0.87 0.48 -0.39 0.00 3.64 -1.22 0.16 116.57 120.11 2pvo h LYS 82 Ca 0.48 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2pvo h LYS 82 Cb 0.58 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2pvo h LYS 82 CO -0.24 1.10 0.19 1.49 -2.27 0.00 0.00 179.45 179.72 2pvo h GLU 83 N 0.30 0.55 0.03 1.90 4.81 0.09 -3.19 114.58 119.08 2pvo h GLU 83 Ca -0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2pvo h GLU 83 Cb 1.47 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2pvo h GLU 83 CO 0.15 0.48 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.83 2pvo h LEU 84 N 0.49 -0.04 0.00 1.64 3.38 -0.62 -3.50 115.31 116.66 2pvo h LEU 84 Ca 0.13 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2pvo h LEU 84 Cb 0.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2pvo h LEU 84 CO -0.02 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.75 2pvo n GLY 85 N 0.77 1.52 3.46 0.83 0.00 0.56 -5.10 105.19 107.23 2pvo n GLY 85 Ca -0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 2pvo n GLY 85 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pvo s ILE 86 N 0.00 0.01 0.00 -0.61 2.07 -1.25 -5.03 121.20 116.39 2pvo s ILE 86 Ca 0.00 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2pvo s ILE 86 Cb 0.00 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.72 2pvo s ILE 86 CO 0.00 -0.05 0.00 0.54 -1.91 0.00 0.00 174.94 173.52 2pvo n ARG 87 N 1.60 0.00 -3.52 3.50 5.12 -1.26 -5.03 116.66 117.07 2pvo n ARG 87 Ca -0.18 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.42 2pvo n ARG 87 Cb 0.56 -0.41 -0.05 0.00 -1.16 0.00 0.00 32.46 31.40 2pvo n ARG 87 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pvo s VAL 88 N -1.24 5.03 -0.06 1.55 1.01 -1.26 -5.09 120.40 120.33 2pvo s VAL 88 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2pvo s VAL 88 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2pvo s VAL 88 CO 0.00 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.34 2pvo s VAL 89 N -1.67 1.12 0.79 2.92 1.01 -1.26 -3.99 120.40 119.32 2pvo s VAL 89 Ca 0.42 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2pvo s VAL 89 Cb -0.12 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.34 2pvo s VAL 89 CO 0.22 0.35 1.12 -2.16 0.00 0.00 0.00 175.10 174.63 2pvo s PRO 90 N 0.64 1.73 -0.12 2.72 0.04 -1.26 -4.56 135.00 134.19 2pvo s PRO 90 Ca -0.14 -0.28 -0.06 0.00 0.04 0.00 0.00 61.00 60.56 2pvo s PRO 90 Cb -0.15 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.38 2pvo s PRO 90 CO 0.04 -1.62 0.27 0.99 0.04 0.00 0.00 177.00 176.72 2pvo s THR 91 N -3.47 -0.17 -0.23 1.26 2.01 -1.06 -0.47 115.64 113.53 2pvo s THR 91 Ca 0.64 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 2pvo s THR 91 Cb -0.09 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2pvo s THR 91 CO 0.48 0.08 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 2pvo s PHE 92 N 1.65 3.07 -0.02 4.92 0.40 0.25 -1.47 117.98 126.79 2pvo s PHE 92 Ca -0.06 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 55.75 2pvo s PHE 92 Cb -0.11 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2pvo s PHE 92 CO -0.09 -0.30 0.24 0.15 0.70 0.00 0.00 175.22 175.92 2pvo s LYS 93 N 1.32 3.56 -0.17 0.44 -0.14 -0.69 -1.12 119.74 122.93 2pvo s LYS 93 Ca 0.04 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.58 2pvo s LYS 93 Cb -0.15 -3.11 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2pvo s LYS 93 CO 0.02 0.68 -0.20 0.42 -0.76 0.00 0.00 175.35 175.51 2pvo s ILE 94 N -1.24 2.01 0.14 2.17 1.01 -0.37 -0.41 121.20 124.52 2pvo s ILE 94 Ca 0.25 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 60.07 2pvo s ILE 94 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2pvo s ILE 94 CO 0.14 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.72 2pvo s LEU 95 N 1.27 2.86 -0.27 2.97 1.02 0.10 0.62 118.68 127.26 2pvo s LEU 95 Ca 0.04 -0.54 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 2pvo s LEU 95 Cb -0.13 -1.64 0.16 0.00 0.02 0.00 0.00 46.19 44.60 2pvo s LEU 95 CO -0.12 0.15 0.46 -0.75 0.02 0.00 0.00 176.35 176.11 2pvo s LYS 96 N -2.42 0.43 -0.19 1.70 2.20 -0.82 -0.15 119.74 120.49 2pvo s LYS 96 Ca 0.21 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2pvo s LYS 96 Cb -0.10 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 2pvo s LYS 96 CO 0.13 -0.70 0.17 0.39 -0.36 0.00 0.00 175.35 174.98 2pvo n GLU 97 N 5.38 -0.39 -1.17 4.03 1.02 -1.26 -4.17 120.64 124.08 2pvo n GLU 97 Ca -0.02 0.43 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 2pvo n GLU 97 Cb 0.50 -2.42 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 2pvo n GLU 97 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pvo n ASN 98 N -1.54 -5.40 -3.56 1.62 3.02 -1.26 -4.95 115.26 103.19 2pvo n ASN 98 Ca -0.01 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.52 2pvo n ASN 98 Cb 0.51 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 36.20 2pvo n ASN 98 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2pvo s SER 99 N -2.27 -0.62 0.16 6.41 1.04 -1.26 -5.03 113.70 112.12 2pvo s SER 99 Ca 0.00 0.75 -0.31 0.00 0.48 0.00 0.00 55.95 56.87 2pvo s SER 99 Cb 0.00 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 2pvo s SER 99 CO 0.00 -0.54 1.58 -0.69 0.98 0.00 0.00 173.24 174.57 2pvo s VAL 100 N -0.99 2.63 0.00 5.02 1.01 -1.26 -1.94 120.40 124.87 2pvo s VAL 100 Ca -0.10 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2pvo s VAL 100 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2pvo s VAL 100 CO 0.08 0.03 0.00 1.33 0.00 0.00 0.00 175.10 176.54 2pvo n VAL 101 N 4.04 0.00 -3.83 2.92 0.24 0.20 -4.94 118.33 116.97 2pvo n VAL 101 Ca 0.14 -0.19 -0.06 0.00 -2.04 0.00 0.00 64.34 62.19 2pvo n VAL 101 Cb 0.38 0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 2pvo n VAL 101 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pvo s GLY 102 N -1.57 -0.03 -0.01 7.63 0.00 -1.08 -5.01 107.32 107.24 2pvo s GLY 102 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 2pvo s GLY 102 CO 0.00 0.01 0.51 1.85 0.00 0.00 0.00 173.10 175.47 2pvo s GLU 103 N -3.43 0.93 -0.05 2.90 2.12 -1.26 -1.23 118.70 118.68 2pvo s GLU 103 Ca 0.13 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 2pvo s GLU 103 Cb -0.05 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.80 2pvo s GLU 103 CO 0.07 -0.30 0.08 0.08 -0.54 0.00 0.00 175.26 174.65 2pvo s VAL 104 N -1.68 -0.13 -0.15 3.70 1.01 -0.28 -4.99 120.40 117.88 2pvo s VAL 104 Ca -0.10 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 2pvo s VAL 104 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2pvo s VAL 104 CO 0.04 0.15 -0.08 0.42 0.00 0.00 0.00 175.10 175.64 2pvo s THR 105 N 1.98 3.50 0.00 3.92 -4.23 -1.26 0.86 115.64 120.41 2pvo s THR 105 Ca 0.02 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2pvo s THR 105 Cb -0.12 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2pvo s THR 105 CO -0.04 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2pvo n GLY 106 N 3.63 2.30 2.94 3.99 0.00 0.38 -4.81 105.19 113.62 2pvo n GLY 106 Ca -0.18 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 2pvo n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pvo n ALA 107 N 0.16 5.18 -3.75 4.61 0.00 -1.26 -4.66 120.51 120.79 2pvo n ALA 107 Ca 0.00 -4.30 -0.36 0.00 0.00 0.00 0.00 53.44 48.77 2pvo n ALA 107 Cb 0.00 -3.00 -0.12 0.00 0.00 0.00 0.00 19.45 16.34 2pvo n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pvo s LYS 108 N 0.57 2.05 0.04 0.00 1.02 -1.26 -4.96 119.74 117.21 2pvo s LYS 108 Ca 0.40 -1.78 -0.25 0.00 0.02 0.00 0.00 55.97 54.36 2pvo s LYS 108 Cb 0.08 -3.58 -0.17 0.00 -0.52 0.00 0.00 37.83 33.64 2pvo s LYS 108 CO 0.00 -1.05 1.52 -0.92 -0.92 0.00 0.00 175.35 173.98 2pvo h TYR 109 N 8.07 -0.10 -0.85 3.18 3.20 -1.99 -0.71 116.97 127.78 2pvo h TYR 109 Ca -0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.85 2pvo h TYR 109 Cb 1.05 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.27 2pvo h TYR 109 CO 0.56 0.12 0.46 0.38 -1.64 0.00 0.00 178.16 178.04 2pvo h ASP 110 N -0.30 0.61 0.16 -2.11 2.03 -2.00 -1.39 116.42 113.43 2pvo h ASP 110 Ca -0.01 0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 2pvo h ASP 110 Cb 0.26 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2pvo h ASP 110 CO 0.02 0.30 -0.08 0.11 -1.03 0.00 0.00 179.24 178.56 2pvo h LYS 111 N 0.71 -0.21 -0.92 4.15 1.79 -1.94 -2.51 116.57 117.64 2pvo h LYS 111 Ca 0.44 0.01 0.34 0.00 -2.18 0.00 0.00 60.65 59.26 2pvo h LYS 111 Cb 0.53 0.05 -0.17 0.00 -1.58 0.00 0.00 32.23 31.06 2pvo h LYS 111 CO -0.31 -0.14 0.34 -0.11 -1.08 0.00 0.00 179.45 178.15 2pvo n LEU 112 N -2.97 0.18 0.31 2.94 7.94 -0.29 -0.60 117.00 124.52 2pvo n LEU 112 Ca -0.03 1.53 -0.14 0.00 -1.11 0.00 0.00 56.01 56.27 2pvo n LEU 112 Cb 0.09 -0.68 -0.07 0.00 0.53 0.00 0.00 43.42 43.28 2pvo n LEU 112 CO 0.06 -1.66 0.40 0.25 -1.11 0.00 0.00 177.39 175.33 2pvo h LEU 113 N 0.00 -0.70 -2.00 -1.96 5.85 -1.30 -0.94 115.31 114.26 2pvo h LEU 113 Ca 0.70 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.56 2pvo h LEU 113 Cb 1.76 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.95 2pvo h LEU 113 CO -0.76 -0.32 0.37 -0.08 -0.34 0.00 0.00 178.44 177.31 2pvo h GLU 114 N -1.15 0.00 -0.36 1.25 4.57 -0.66 0.32 114.58 118.55 2pvo h GLU 114 Ca -0.08 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 2pvo h GLU 114 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2pvo h GLU 114 CO 0.14 0.00 -0.16 0.00 -1.18 0.00 0.00 179.01 177.81 2pvo h ALA 115 N 1.74 0.50 0.12 2.92 0.00 -0.70 -2.51 119.26 121.34 2pvo h ALA 115 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pvo h ALA 115 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2pvo h ALA 115 CO -0.00 0.43 -0.06 0.82 0.00 0.00 0.00 179.25 180.43 2pvo h ILE 116 N 0.53 1.01 -0.70 0.00 2.04 0.95 -2.86 117.51 118.48 2pvo h ILE 116 Ca 0.08 -0.58 0.20 0.00 1.00 0.00 0.00 64.86 65.57 2pvo h ILE 116 Cb 0.70 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2pvo h ILE 116 CO 0.05 0.14 0.57 1.56 0.00 0.00 0.00 178.15 180.47 2pvo h GLN 117 N -0.44 0.00 -0.16 2.37 1.08 -0.93 0.37 115.11 117.40 2pvo h GLN 117 Ca -0.02 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 2pvo h GLN 117 Cb 0.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2pvo h GLN 117 CO 0.03 0.00 -0.57 0.00 -0.95 0.00 0.00 178.83 177.34 2pvo h ALA 118 N 1.53 0.72 -0.24 3.87 0.00 -1.21 -3.22 119.26 120.70 2pvo h ALA 118 Ca 0.33 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2pvo h ALA 118 Cb 1.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2pvo h ALA 118 CO -0.00 0.70 -0.52 0.00 0.00 0.00 0.00 179.25 179.43 2pvo h ALA 119 N 1.01 0.38 0.00 0.00 0.00 -0.25 -2.18 119.26 118.21 2pvo h ALA 119 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pvo h ALA 119 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pvo h ALA 119 CO 0.10 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.46 2pvo n ARG 120 N -4.10 0.39 0.00 0.00 1.74 -0.78 -4.88 116.66 109.03 2pvo n ARG 120 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2pvo n ARG 120 Cb 0.61 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2pvo n ARG 120 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54