#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu5 n MET 2 N 0.00 2.03 -2.91 -0.41 0.00 -1.26 -4.98 117.12 109.58 1pu5 n MET 2 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 57.70 58.23 1pu5 n MET 2 Cb 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 33.22 30.79 1pu5 n MET 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pu5 s SER 3 N 0.97 5.09 0.45 6.12 0.15 -1.26 -5.13 113.70 120.09 1pu5 s SER 3 Ca 0.80 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.92 1pu5 s SER 3 Cb -0.71 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1pu5 s SER 3 CO 0.39 -1.30 0.20 -0.94 1.20 0.00 0.00 173.24 172.79 1pu5 s SER 4 N -4.59 4.43 0.29 5.45 1.04 -1.26 -4.64 113.70 114.41 1pu5 s SER 4 Ca 0.61 -1.18 -0.29 0.00 0.48 0.00 0.00 55.95 55.57 1pu5 s SER 4 Cb -0.07 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 65.76 1pu5 s SER 4 CO 0.39 -0.68 1.32 0.12 0.98 0.00 0.00 173.24 175.36 1pu5 s PHE 5 N -2.66 3.11 0.15 5.02 5.36 -1.26 -4.52 117.98 123.18 1pu5 s PHE 5 Ca 0.36 1.32 -0.24 0.00 -0.96 0.00 0.00 56.93 57.41 1pu5 s PHE 5 Cb 0.02 -3.67 0.07 0.00 -0.34 0.00 0.00 43.02 39.10 1pu5 s PHE 5 CO 0.20 -1.94 0.70 -1.54 -1.46 0.00 0.00 175.22 171.18 1pu5 s SER 6 N -0.18 -0.45 0.19 6.13 1.04 -0.14 -4.98 113.70 115.30 1pu5 s SER 6 Ca 0.52 -0.13 -0.23 0.00 0.48 0.00 0.00 55.95 56.60 1pu5 s SER 6 Cb -0.39 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.36 1pu5 s SER 6 CO 0.47 -0.96 0.65 -1.66 0.98 0.00 0.00 173.24 172.72 1pu5 s TRP 7 N -3.63 -0.43 -0.08 5.02 1.48 -1.26 -0.70 118.94 119.34 1pu5 s TRP 7 Ca 0.04 0.15 -0.30 0.00 -1.06 0.00 0.00 56.10 54.94 1pu5 s TRP 7 Cb -0.02 0.60 0.11 0.00 -1.16 0.00 0.00 33.47 33.01 1pu5 s TRP 7 CO -0.08 -0.94 0.94 0.34 -4.06 0.00 0.00 176.95 173.15 1pu5 s ASP 8 N -2.79 -0.36 0.43 -2.66 2.15 -0.57 -5.00 116.67 107.87 1pu5 s ASP 8 Ca 0.04 0.17 -0.21 0.00 0.43 0.00 0.00 52.55 52.98 1pu5 s ASP 8 Cb -0.02 0.34 -0.10 0.00 -0.30 0.00 0.00 42.92 42.84 1pu5 s ASP 8 CO -0.07 -0.49 0.98 0.20 -0.17 0.00 0.00 175.17 175.62 1pu5 s ASN 9 N -1.91 6.82 0.25 -0.34 0.01 -1.26 -0.74 114.94 117.76 1pu5 s ASN 9 Ca 0.02 1.78 0.12 0.00 -0.71 0.00 0.00 52.86 54.07 1pu5 s ASN 9 Cb -0.01 -2.55 0.23 0.00 0.41 0.00 0.00 41.25 39.33 1pu5 s ASN 9 CO -0.04 -0.44 1.52 0.00 -1.51 0.00 0.00 177.10 176.63 1pu5 n ASP 11 N -3.56 -1.90 -0.06 0.00 2.03 -1.26 -5.02 116.55 106.77 1pu5 n ASP 11 Ca -0.00 -3.14 0.24 0.00 0.52 0.00 0.00 54.79 52.41 1pu5 n ASP 11 Cb 0.70 1.06 0.71 0.00 -0.72 0.00 0.00 41.12 42.87 1pu5 n ASP 11 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1pu5 h GLU 12 N 3.94 0.00 -0.00 -0.67 4.11 -1.92 -1.73 114.58 118.31 1pu5 h GLU 12 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1pu5 h GLU 12 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1pu5 h GLU 12 CO 0.36 0.00 -0.08 0.41 0.07 0.00 0.00 179.01 179.77 1pu5 n GLY 13 N -1.65 -1.32 0.00 1.06 0.00 -1.26 -4.42 105.19 97.60 1pu5 n GLY 13 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pu5 n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pu5 n LYS 14 N -1.35 2.21 -2.38 1.61 5.02 -0.69 -5.05 118.16 117.53 1pu5 n LYS 14 Ca 0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 1pu5 n LYS 14 Cb 0.30 -0.86 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1pu5 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pu5 s ASP 15 N -2.73 7.08 0.47 4.39 1.01 -0.97 -4.92 116.67 121.02 1pu5 s ASP 15 Ca 0.00 2.19 0.24 0.00 0.71 0.00 0.00 52.55 55.69 1pu5 s ASP 15 Cb 0.00 -2.60 1.17 0.00 1.01 0.00 0.00 42.92 42.50 1pu5 s ASP 15 CO 0.00 -0.39 1.96 1.55 0.21 0.00 0.00 175.17 178.49 1pu5 h PRO 16 N 5.61 0.00 -5.12 8.23 0.13 -1.81 -3.41 132.00 135.62 1pu5 h PRO 16 Ca -0.44 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1pu5 h PRO 16 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 1pu5 h PRO 16 CO 0.76 0.19 -0.69 0.00 -0.23 0.00 0.00 178.00 178.03 1pu5 s ALA 17 N -4.01 2.90 0.02 -0.56 0.00 -0.22 -1.39 121.76 118.51 1pu5 s ALA 17 Ca -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 1pu5 s ALA 17 Cb 0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1pu5 s ALA 17 CO 0.62 -0.16 0.07 0.14 0.00 0.00 0.00 175.76 176.43 1pu5 s VAL 18 N 1.02 0.11 -0.05 0.00 -7.23 -0.04 -4.32 120.40 109.89 1pu5 s VAL 18 Ca 0.01 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 59.03 1pu5 s VAL 18 Cb -0.15 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1pu5 s VAL 18 CO 0.01 -0.52 0.60 -0.63 -0.31 0.00 0.00 175.10 174.24 1pu5 s ILE 19 N -1.96 5.01 -0.15 -0.62 -1.09 -1.26 -1.31 121.20 119.81 1pu5 s ILE 19 Ca -0.11 1.23 -0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1pu5 s ILE 19 Cb -0.05 -3.94 -0.23 0.00 -1.58 0.00 0.00 42.46 36.66 1pu5 s ILE 19 CO -0.02 0.35 0.24 0.54 -1.23 0.00 0.00 174.94 174.83 1pu5 n ARG 20 N 3.22 0.71 -3.68 2.79 5.12 0.16 -4.86 116.66 120.12 1pu5 n ARG 20 Ca -0.05 0.22 -0.14 0.00 -1.93 0.00 0.00 57.85 55.95 1pu5 n ARG 20 Cb 0.51 -1.66 -0.07 0.00 -1.16 0.00 0.00 32.46 30.08 1pu5 n ARG 20 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1pu5 s SER 21 N -6.69 -0.30 -0.23 0.55 1.04 -0.99 -4.97 113.70 102.12 1pu5 s SER 21 Ca -0.22 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 1pu5 s SER 21 Cb 0.07 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.65 1pu5 s SER 21 CO 0.74 -0.57 0.57 -0.22 0.98 0.00 0.00 173.24 174.74 1pu5 s LEU 22 N -1.61 -0.45 0.01 2.42 2.96 -1.26 -1.59 118.68 119.15 1pu5 s LEU 22 Ca -0.09 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1pu5 s LEU 22 Cb -0.02 1.95 -0.01 0.00 0.50 0.00 0.00 46.19 48.61 1pu5 s LEU 22 CO 0.02 -0.21 -0.08 0.42 -1.32 0.00 0.00 176.35 175.18 1pu5 s THR 23 N 1.11 0.60 -0.12 3.68 -4.23 -0.67 -4.98 115.64 111.03 1pu5 s THR 23 Ca -0.06 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1pu5 s THR 23 Cb -0.06 -0.56 0.06 0.00 1.34 0.00 0.00 72.50 73.28 1pu5 s THR 23 CO -0.11 -0.01 0.15 -0.22 -0.54 0.00 0.00 174.62 173.89 1pu5 s LEU 24 N -0.66 0.03 0.11 4.79 2.96 -1.25 -2.33 118.68 122.33 1pu5 s LEU 24 Ca -0.01 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1pu5 s LEU 24 Cb -0.05 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 1pu5 s LEU 24 CO 0.00 -0.29 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.01 1pu5 s GLU 25 N 2.26 0.95 0.95 1.98 2.02 0.21 -4.53 118.70 122.53 1pu5 s GLU 25 Ca 0.04 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.70 1pu5 s GLU 25 Cb -0.14 -0.80 0.17 0.00 0.10 0.00 0.00 34.13 33.47 1pu5 s GLU 25 CO -0.07 0.15 1.24 -1.25 0.02 0.00 0.00 175.26 175.35 1pu5 s PRO 26 N -2.59 0.82 -0.23 0.39 0.04 -1.26 0.30 135.00 132.47 1pu5 s PRO 26 Ca 0.07 -0.16 -0.01 0.00 0.04 0.00 0.00 61.00 60.94 1pu5 s PRO 26 Cb -0.05 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1pu5 s PRO 26 CO 0.02 -2.33 0.00 0.34 0.04 0.00 0.00 177.00 175.07 1pu5 s ASP 27 N -4.60 3.45 0.88 6.66 3.68 -1.26 -2.75 116.67 122.73 1pu5 s ASP 27 Ca 0.69 -1.07 -0.11 0.00 2.13 0.00 0.00 52.55 54.19 1pu5 s ASP 27 Cb -0.08 -0.89 0.12 0.00 -1.45 0.00 0.00 42.92 40.62 1pu5 s ASP 27 CO 0.52 -0.29 1.09 -2.16 0.13 0.00 0.00 175.17 174.47 1pu5 s PRO 28 N 1.62 1.42 -0.21 4.34 0.04 -1.26 -5.01 135.00 135.94 1pu5 s PRO 28 Ca -0.02 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1pu5 s PRO 28 Cb -0.18 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1pu5 s PRO 28 CO -0.09 -2.12 1.07 0.42 0.04 0.00 0.00 177.00 176.32 1pu5 s ILE 29 N -2.97 4.62 -0.01 0.56 1.01 0.33 -4.86 121.20 119.88 1pu5 s ILE 29 Ca 0.63 1.95 -0.26 0.00 0.00 0.00 0.00 60.65 62.97 1pu5 s ILE 29 Cb -0.17 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1pu5 s ILE 29 CO 0.56 -0.15 0.80 -0.69 0.00 0.00 0.00 174.94 175.46 1pu5 s VAL 30 N 3.12 4.89 -0.07 2.92 1.01 -1.26 -1.14 120.40 129.87 1pu5 s VAL 30 Ca 0.46 1.68 0.03 0.00 0.00 0.00 0.00 61.98 64.15 1pu5 s VAL 30 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1pu5 s VAL 30 CO 0.09 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 1pu5 s VAL 31 N 0.57 1.38 0.78 2.92 1.01 0.09 -3.28 120.40 123.86 1pu5 s VAL 31 Ca 0.42 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1pu5 s VAL 31 Cb -0.20 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.03 1pu5 s VAL 31 CO 0.22 0.41 1.11 -2.84 0.00 0.00 0.00 175.10 174.00 1pu5 s PRO 32 N 0.43 2.21 0.00 2.72 0.02 -1.26 -0.24 135.00 138.88 1pu5 s PRO 32 Ca -0.12 0.52 0.00 0.00 0.02 0.00 0.00 61.00 61.42 1pu5 s PRO 32 Cb -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1pu5 s PRO 32 CO 0.04 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 1pu5 n GLY 33 N -2.44 -0.71 3.61 0.52 0.00 -1.21 -4.88 105.19 100.08 1pu5 n GLY 33 Ca 0.07 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1pu5 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu5 s ASN 34 N -4.00 4.38 0.05 1.61 0.01 -1.26 -1.21 114.94 114.51 1pu5 s ASN 34 Ca 0.00 -0.66 0.07 0.00 -0.71 0.00 0.00 52.86 51.55 1pu5 s ASN 34 Cb 0.00 -0.76 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 1pu5 s ASN 34 CO 0.00 0.03 -0.19 0.68 -1.51 0.00 0.00 177.10 176.12 1pu5 s VAL 35 N -2.18 1.51 -0.18 1.60 -7.23 0.55 -4.54 120.40 109.93 1pu5 s VAL 35 Ca 0.30 -1.17 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1pu5 s VAL 35 Cb -0.07 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1pu5 s VAL 35 CO 0.18 0.12 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.16 1pu5 s THR 36 N -0.85 3.64 0.02 5.32 2.01 0.15 -0.37 115.64 125.55 1pu5 s THR 36 Ca 0.06 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1pu5 s THR 36 Cb -0.09 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1pu5 s THR 36 CO 0.02 0.47 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.06 1pu5 s LEU 37 N 0.77 2.10 0.04 4.42 2.96 -0.05 -0.62 118.68 128.32 1pu5 s LEU 37 Ca -0.02 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1pu5 s LEU 37 Cb -0.15 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1pu5 s LEU 37 CO 0.02 0.09 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.12 1pu5 s SER 38 N -0.76 0.83 -0.18 3.68 1.04 -0.98 0.02 113.70 117.35 1pu5 s SER 38 Ca 0.03 -0.52 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 1pu5 s SER 38 Cb -0.07 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1pu5 s SER 38 CO 0.00 -0.19 0.69 0.54 0.98 0.00 0.00 173.24 175.27 1pu5 s VAL 39 N -1.29 0.00 -0.05 5.02 0.11 -0.51 -1.66 120.40 122.01 1pu5 s VAL 39 Ca -0.09 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1pu5 s VAL 39 Cb -0.09 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1pu5 s VAL 39 CO 0.00 -0.00 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.01 1pu5 s VAL 40 N -0.21 0.77 0.12 2.04 1.01 -0.62 -0.15 120.40 123.35 1pu5 s VAL 40 Ca -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1pu5 s VAL 40 Cb -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1pu5 s VAL 40 CO 0.04 0.28 0.09 -0.83 0.00 0.00 0.00 175.10 174.68 1pu5 s GLY 41 N 0.83 0.74 0.05 4.51 0.00 -0.51 0.39 107.32 113.32 1pu5 s GLY 41 Ca -0.12 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 43.26 1pu5 s GLY 41 CO 0.01 -1.22 0.15 -1.35 0.00 0.00 0.00 173.10 170.69 1pu5 s SER 42 N -3.00 0.12 -0.04 1.64 1.04 -0.43 -0.18 113.70 112.85 1pu5 s SER 42 Ca 0.18 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 1pu5 s SER 42 Cb 0.07 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1pu5 s SER 42 CO -0.02 -0.59 0.10 0.28 0.98 0.00 0.00 173.24 173.99 1pu5 s THR 43 N -3.00 -0.04 -2.15 2.02 -1.32 -0.72 -0.87 115.64 109.57 1pu5 s THR 43 Ca -0.02 0.13 0.28 0.00 -1.21 0.00 0.00 61.69 60.87 1pu5 s THR 43 Cb 0.01 -0.17 0.45 0.00 -1.51 0.00 0.00 72.50 71.28 1pu5 s THR 43 CO -0.06 0.05 1.70 -1.54 -2.21 0.00 0.00 174.62 172.56 1pu5 n SER 44 N 3.83 1.22 -4.16 8.08 3.41 -0.48 -1.01 113.62 124.51 1pu5 n SER 44 Ca -0.22 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.07 1pu5 n SER 44 Cb 0.54 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1pu5 n SER 44 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1pu5 s VAL 45 N -2.22 0.75 0.42 -3.33 -7.23 -1.26 -4.90 120.40 102.62 1pu5 s VAL 45 Ca 0.33 -1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 58.53 1pu5 s VAL 45 Cb 0.20 -1.42 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 1pu5 s VAL 45 CO 0.41 -0.71 1.17 -2.84 -0.31 0.00 0.00 175.10 172.82 1pu5 s PRO 46 N -3.18 3.97 -0.36 4.82 0.02 -1.26 -4.24 135.00 134.78 1pu5 s PRO 46 Ca 0.07 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 62.81 1pu5 s PRO 46 Cb 0.00 -2.59 0.03 0.00 0.02 0.00 0.00 34.50 31.96 1pu5 s PRO 46 CO -0.02 -0.38 0.16 -0.51 -0.33 0.00 0.00 177.00 175.92 1pu5 s LEU 47 N -2.65 4.53 0.22 -5.54 1.43 0.59 -4.95 118.68 112.31 1pu5 s LEU 47 Ca 0.59 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1pu5 s LEU 47 Cb -0.30 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1pu5 s LEU 47 CO 0.37 -0.36 0.18 -0.94 0.23 0.00 0.00 176.35 175.84 1pu5 s SER 48 N 1.49 0.35 0.48 2.29 1.04 -1.26 -0.41 113.70 117.67 1pu5 s SER 48 Ca 0.00 -1.41 -0.23 0.00 0.48 0.00 0.00 55.95 54.79 1pu5 s SER 48 Cb -0.19 0.42 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 1pu5 s SER 48 CO 0.05 -0.90 1.29 -0.94 0.98 0.00 0.00 173.24 173.72 1pu5 s SER 49 N -3.18 5.83 -0.14 7.02 1.04 -1.26 -3.44 113.70 119.57 1pu5 s SER 49 Ca 0.38 2.62 -0.25 0.00 0.48 0.00 0.00 55.95 59.17 1pu5 s SER 49 Cb 0.06 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1pu5 s SER 49 CO 0.14 -1.17 0.82 -2.16 0.98 0.00 0.00 173.24 171.85 1pu5 s PRO 50 N -2.65 4.34 -0.27 4.02 0.04 -1.26 -5.05 135.00 134.17 1pu5 s PRO 50 Ca 0.65 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1pu5 s PRO 50 Cb -0.37 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 1pu5 s PRO 50 CO 0.45 -0.24 0.07 -1.17 0.04 0.00 0.00 177.00 176.14 1pu5 s LEU 51 N 1.84 3.60 -0.14 -3.56 2.96 -1.22 -3.93 118.68 118.23 1pu5 s LEU 51 Ca 0.39 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1pu5 s LEU 51 Cb -0.17 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1pu5 s LEU 51 CO 0.15 -0.12 0.02 -0.75 -1.32 0.00 0.00 176.35 174.33 1pu5 s LYS 52 N 1.54 3.53 -0.12 1.98 2.20 0.58 0.29 119.74 129.75 1pu5 s LYS 52 Ca 0.04 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1pu5 s LYS 52 Cb -0.16 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1pu5 s LYS 52 CO 0.02 0.44 -0.19 0.08 -0.36 0.00 0.00 175.35 175.34 1pu5 s VAL 53 N -0.14 1.77 -0.16 4.02 1.01 -0.66 -1.17 120.40 125.07 1pu5 s VAL 53 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1pu5 s VAL 53 Cb -0.12 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1pu5 s VAL 53 CO 0.02 0.49 -0.18 -0.62 0.00 0.00 0.00 175.10 174.82 1pu5 s ASP 54 N 0.83 2.92 0.04 3.32 2.15 -0.50 -0.08 116.67 125.35 1pu5 s ASP 54 Ca -0.08 -0.57 0.07 0.00 0.43 0.00 0.00 52.55 52.39 1pu5 s ASP 54 Cb -0.16 -1.34 -0.03 0.00 -0.30 0.00 0.00 42.92 41.09 1pu5 s ASP 54 CO -0.00 -0.01 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.05 1pu5 s LEU 55 N 1.31 2.63 -0.19 -1.34 1.43 0.11 -0.88 118.68 121.76 1pu5 s LEU 55 Ca 0.03 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1pu5 s LEU 55 Cb -0.13 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1pu5 s LEU 55 CO -0.11 0.26 -0.05 -0.69 0.23 0.00 0.00 176.35 176.00 1pu5 s VAL 56 N -0.92 1.19 -0.16 -1.59 1.01 0.12 -3.38 120.40 116.67 1pu5 s VAL 56 Ca 0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1pu5 s VAL 56 Cb -0.11 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1pu5 s VAL 56 CO 0.05 0.04 -0.02 -0.22 0.00 0.00 0.00 175.10 174.95 1pu5 s LEU 57 N 1.58 3.30 0.06 3.92 2.96 -1.26 -1.18 118.68 128.06 1pu5 s LEU 57 Ca -0.01 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1pu5 s LEU 57 Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1pu5 s LEU 57 CO -0.07 0.16 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.38 1pu5 s GLU 58 N 0.42 0.75 -0.06 1.98 2.02 -0.20 -0.12 118.70 123.49 1pu5 s GLU 58 Ca -0.03 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.16 1pu5 s GLU 58 Cb -0.14 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.39 1pu5 s GLU 58 CO 0.03 0.15 -0.23 0.21 0.02 0.00 0.00 175.26 175.43 1pu5 s LYS 59 N -1.56 2.49 -0.09 1.61 2.20 -0.24 -1.33 119.74 122.82 1pu5 s LYS 59 Ca -0.03 -0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 1pu5 s LYS 59 Cb -0.09 -2.08 -0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1pu5 s LYS 59 CO 0.02 0.33 0.97 -2.00 -0.36 0.00 0.00 175.35 174.31 1pu5 s GLU 60 N -0.05 4.44 -0.10 4.03 2.12 -0.42 -0.81 118.70 127.91 1pu5 s GLU 60 Ca -0.06 1.35 -0.01 0.00 0.36 0.00 0.00 54.97 56.60 1pu5 s GLU 60 Cb -0.14 -3.53 0.03 0.00 0.26 0.00 0.00 34.13 30.76 1pu5 s GLU 60 CO 0.04 -0.25 -0.00 0.08 -0.54 0.00 0.00 175.26 174.59 1pu5 s VAL 61 N 1.79 0.51 -1.43 3.70 1.01 0.55 -4.66 120.40 121.88 1pu5 s VAL 61 Ca 0.48 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1pu5 s VAL 61 Cb -0.19 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1pu5 s VAL 61 CO 0.19 0.18 0.28 0.00 0.00 0.00 0.00 175.10 175.76 1pu5 n ALA 62 N 5.09 -2.14 -0.40 5.51 0.00 -1.26 0.14 120.51 127.45 1pu5 n ALA 62 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1pu5 n ALA 62 Cb 0.49 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1pu5 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu5 n GLY 63 N -2.27 1.85 3.66 0.00 0.00 -1.26 -5.00 105.19 102.17 1pu5 n GLY 63 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1pu5 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu5 s LEU 64 N 0.00 3.63 -0.36 0.99 1.43 0.36 -5.07 118.68 119.65 1pu5 s LEU 64 Ca 0.00 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1pu5 s LEU 64 Cb 0.00 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1pu5 s LEU 64 CO 0.00 0.31 0.42 0.26 0.23 0.00 0.00 176.35 177.57 1pu5 s TRP 65 N -0.48 3.19 -0.11 0.29 0.52 -1.26 0.21 118.94 121.29 1pu5 s TRP 65 Ca 0.09 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 1pu5 s TRP 65 Cb -0.12 -2.78 -0.02 0.00 -1.15 0.00 0.00 33.47 29.40 1pu5 s TRP 65 CO 0.02 -0.51 -0.09 0.96 0.02 0.00 0.00 176.95 177.35 1pu5 s ILE 66 N 2.14 3.48 0.12 2.03 -4.36 0.01 -4.89 121.20 119.73 1pu5 s ILE 66 Ca 0.14 -0.53 -0.31 0.00 -0.26 0.00 0.00 60.65 59.69 1pu5 s ILE 66 Cb -0.16 -2.46 -0.08 0.00 1.25 0.00 0.00 42.46 41.01 1pu5 s ILE 66 CO 0.12 0.54 1.36 -0.75 0.24 0.00 0.00 174.94 176.45 1pu5 s LYS 67 N -0.05 4.34 -0.22 0.37 2.20 -1.26 -1.08 119.74 124.05 1pu5 s LYS 67 Ca -0.01 2.04 -0.14 0.00 -0.36 0.00 0.00 55.97 57.50 1pu5 s LYS 67 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1pu5 s LYS 67 CO 0.03 -0.39 0.32 0.42 -0.36 0.00 0.00 175.35 175.37 1pu5 s ILE 68 N 0.95 5.25 0.83 5.43 1.01 0.84 -4.95 121.20 130.56 1pu5 s ILE 68 Ca 0.63 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 1pu5 s ILE 68 Cb -0.36 -3.65 0.09 0.00 0.01 0.00 0.00 42.46 38.55 1pu5 s ILE 68 CO 0.31 0.28 1.09 -2.16 0.00 0.00 0.00 174.94 174.47 1pu5 s PRO 69 N 1.23 1.78 -0.06 2.79 0.04 -1.26 -0.73 135.00 138.79 1pu5 s PRO 69 Ca 0.15 0.76 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1pu5 s PRO 69 Cb -0.14 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1pu5 s PRO 69 CO 0.07 -1.86 0.78 0.00 0.04 0.00 0.00 177.00 176.02 1pu5 s THR 71 N 0.94 -0.49 -1.23 0.00 2.01 -0.48 -4.94 115.64 111.46 1pu5 s THR 71 Ca 0.41 0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 1pu5 s THR 71 Cb -0.18 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1pu5 s THR 71 CO 0.20 0.07 0.68 -0.67 -0.69 0.00 0.00 174.62 174.22 1pu5 n ASP 72 N 5.36 -3.53 0.00 3.53 4.64 -1.26 -2.40 116.55 122.89 1pu5 n ASP 72 Ca -0.07 -0.99 0.00 0.00 -1.38 0.00 0.00 54.79 52.35 1pu5 n ASP 72 Cb 0.50 -3.37 0.00 0.00 -1.04 0.00 0.00 41.12 37.21 1pu5 n ASP 72 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1pu5 n TYR 73 N -4.25 0.00 -5.17 -0.67 4.01 -1.26 -5.00 117.16 104.81 1pu5 n TYR 73 Ca -0.17 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.25 1pu5 n TYR 73 Cb 0.63 -0.56 -0.16 0.00 -0.31 0.00 0.00 39.34 38.94 1pu5 n TYR 73 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1pu5 s ILE 74 N -2.84 2.25 0.00 -0.72 1.01 -1.01 -4.94 121.20 114.96 1pu5 s ILE 74 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1pu5 s ILE 74 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1pu5 s ILE 74 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1pu5 n GLY 75 N 3.02 0.11 2.69 6.18 0.00 -1.26 -1.38 105.19 114.56 1pu5 n GLY 75 Ca -0.18 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 1pu5 n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pu5 n SER 76 N 0.00 4.54 -4.82 1.61 7.64 0.09 -4.54 113.62 118.14 1pu5 n SER 76 Ca 0.00 -2.77 -0.36 0.00 1.01 0.00 0.00 58.87 56.75 1pu5 n SER 76 Cb 0.00 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 61.56 1pu5 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pu5 s THR 78 N -1.57 2.32 -0.46 0.00 2.01 -1.26 0.08 115.64 116.76 1pu5 s THR 78 Ca 0.44 -1.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 1pu5 s THR 78 Cb -0.16 -2.16 0.09 0.00 0.01 0.00 0.00 72.50 70.28 1pu5 s THR 78 CO 0.21 0.26 0.36 -0.36 -0.69 0.00 0.00 174.62 174.39 1pu5 s PHE 79 N 1.24 3.31 0.32 4.92 0.08 0.89 -4.95 117.98 123.78 1pu5 s PHE 79 Ca -0.01 -1.36 0.02 0.00 0.12 0.00 0.00 56.93 55.70 1pu5 s PHE 79 Cb -0.16 -3.25 0.53 0.00 -0.57 0.00 0.00 43.02 39.56 1pu5 s PHE 79 CO -0.08 -0.89 1.86 0.93 -0.10 0.00 0.00 175.22 176.94 1pu5 h GLU 80 N 8.60 0.64 -2.48 0.44 5.08 -1.86 -1.77 114.58 123.23 1pu5 h GLU 80 Ca -0.25 -0.13 -0.60 0.00 -1.00 0.00 0.00 59.36 57.38 1pu5 h GLU 80 Cb 1.09 -0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.85 1pu5 h GLU 80 CO 0.86 0.62 -0.82 0.72 -1.00 0.00 0.00 179.01 179.39 1pu5 n HIS 81 N -4.28 1.16 -0.10 4.33 8.25 -1.26 -4.09 115.22 119.24 1pu5 n HIS 81 Ca 0.02 -3.79 0.13 0.00 -0.26 0.00 0.00 57.72 53.83 1pu5 n HIS 81 Cb 0.24 -0.25 0.52 0.00 1.12 0.00 0.00 29.99 31.61 1pu5 n HIS 81 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1pu5 h PHE 82 N 5.02 0.41 -0.55 4.41 3.57 -0.26 -0.13 116.94 129.41 1pu5 h PHE 82 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1pu5 h PHE 82 Cb 0.82 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1pu5 h PHE 82 CO 0.48 0.18 0.07 0.00 -2.23 0.00 0.00 178.31 176.82 1pu5 h ASP 84 N 0.83 0.80 -0.54 0.00 3.58 -1.44 -1.55 116.42 118.10 1pu5 h ASP 84 Ca 0.17 -0.42 0.04 0.00 0.42 0.00 0.00 57.03 57.25 1pu5 h ASP 84 Cb 0.39 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1pu5 h ASP 84 CO 0.01 1.17 0.28 0.58 -2.88 0.00 0.00 179.24 178.41 1pu5 h VAL 85 N 0.56 0.97 -0.56 2.25 2.07 -0.69 -0.82 116.25 120.03 1pu5 h VAL 85 Ca 0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1pu5 h VAL 85 Cb 1.10 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1pu5 h VAL 85 CO 0.11 0.10 0.22 -0.07 0.02 0.00 0.00 177.57 177.95 1pu5 h LEU 86 N 0.55 0.78 -1.76 2.57 3.38 -0.86 -0.15 115.31 119.82 1pu5 h LEU 86 Ca 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pu5 h LEU 86 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pu5 h LEU 86 CO -0.15 0.75 -0.13 0.44 0.09 0.00 0.00 178.44 179.44 1pu5 h ASP 87 N 0.77 0.00 1.00 -0.43 3.32 -0.71 0.13 116.42 120.50 1pu5 h ASP 87 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1pu5 h ASP 87 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pu5 h ASP 87 CO -0.01 0.13 -0.97 0.24 -1.72 0.00 0.00 179.24 176.90 1pu5 h MET 88 N 0.00 0.00 0.01 3.56 2.86 -0.63 -3.37 114.93 117.36 1pu5 h MET 88 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.30 1pu5 h MET 88 Cb 0.23 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1pu5 h MET 88 CO 0.02 0.00 -2.04 1.28 1.06 0.00 0.00 176.91 177.22 1pu5 n LEU 89 N -2.65 0.86 -4.08 1.22 4.77 -0.12 -4.75 117.00 112.25 1pu5 n LEU 89 Ca 0.00 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1pu5 n LEU 89 Cb 0.54 0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1pu5 n LEU 89 CO 0.40 0.51 -0.29 -0.63 -1.33 0.00 0.00 177.39 176.05 1pu5 s ILE 90 N -2.55 2.71 0.39 -0.08 1.01 0.45 -5.08 121.20 118.05 1pu5 s ILE 90 Ca -0.10 -2.05 -0.23 0.00 0.00 0.00 0.00 60.65 58.27 1pu5 s ILE 90 Cb 0.07 -2.85 -0.14 0.00 0.01 0.00 0.00 42.46 39.55 1pu5 s ILE 90 CO 0.81 -0.51 0.35 -2.65 0.00 0.00 0.00 174.94 172.94 1pu5 n PRO 91 N 4.44 0.28 -3.48 2.79 -0.02 -1.26 -4.51 135.00 133.23 1pu5 n PRO 91 Ca -0.02 0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 1pu5 n PRO 91 Cb 0.42 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 1pu5 n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1pu5 s THR 92 N -1.50 5.02 0.00 3.45 -4.23 -1.26 -3.64 115.64 113.47 1pu5 s THR 92 Ca 0.62 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1pu5 s THR 92 Cb -0.66 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 69.55 1pu5 s THR 92 CO 0.60 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1pu5 n GLY 93 N -0.21 1.83 3.87 3.99 0.00 -1.26 -5.00 105.19 108.42 1pu5 n GLY 93 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1pu5 n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pu5 s GLU 94 N -0.17 3.58 0.78 1.61 0.41 -1.24 -5.08 118.70 118.59 1pu5 s GLU 94 Ca 0.00 -0.02 -0.13 0.00 -0.41 0.00 0.00 54.97 54.41 1pu5 s GLU 94 Cb 0.00 -3.15 0.07 0.00 -1.78 0.00 0.00 34.13 29.27 1pu5 s GLU 94 CO 0.00 0.71 1.19 -2.14 -0.49 0.00 0.00 175.26 174.54 1pu5 s PRO 95 N -1.32 1.82 0.54 0.39 0.02 -1.26 -4.95 135.00 130.23 1pu5 s PRO 95 Ca 0.21 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 1pu5 s PRO 95 Cb -0.13 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 1pu5 s PRO 95 CO 0.10 -2.07 1.16 0.00 -0.33 0.00 0.00 177.00 175.87 1pu5 s PRO 97 N -3.19 3.13 0.60 0.00 0.02 -1.26 -4.01 135.00 130.29 1pu5 s PRO 97 Ca 0.72 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 1pu5 s PRO 97 Cb -0.26 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 1pu5 s PRO 97 CO 0.30 -1.07 1.12 -1.21 -0.33 0.00 0.00 177.00 175.81 1pu5 s GLU 98 N -3.24 3.09 0.00 5.54 0.41 -1.26 -1.26 118.70 121.99 1pu5 s GLU 98 Ca 0.75 1.52 0.09 0.00 -0.41 0.00 0.00 54.97 56.92 1pu5 s GLU 98 Cb -0.29 -1.98 0.41 0.00 -1.78 0.00 0.00 34.13 30.49 1pu5 s GLU 98 CO 0.33 -1.04 1.29 -0.35 -0.49 0.00 0.00 175.26 175.00 1pu5 n PRO 99 N -1.81 1.31 -0.25 0.39 -0.04 -1.26 -4.92 135.00 128.43 1pu5 n PRO 99 Ca 0.11 -0.48 -0.05 0.00 -0.04 0.00 0.00 63.50 63.04 1pu5 n PRO 99 Cb 0.51 -1.18 0.10 0.00 -0.04 0.00 0.00 33.50 32.89 1pu5 n PRO 99 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pu5 h LEU 100 N 0.84 1.01 -0.09 1.53 3.38 -1.49 -2.61 115.31 117.88 1pu5 h LEU 100 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1pu5 h LEU 100 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1pu5 h LEU 100 CO 0.00 0.92 0.03 -0.09 0.09 0.00 0.00 178.44 179.38 1pu5 h ARG 101 N 1.06 0.07 -0.74 1.13 2.43 -1.69 -0.53 114.38 116.12 1pu5 h ARG 101 Ca 0.24 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 1pu5 h ARG 101 Cb 0.24 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1pu5 h ARG 101 CO -0.02 0.05 0.38 1.15 -1.51 0.00 0.00 179.97 180.03 1pu5 h THR 102 N 0.07 0.86 -0.51 0.20 2.02 -1.87 -2.38 112.91 111.31 1pu5 h THR 102 Ca 0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1pu5 h THR 102 Cb 0.02 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1pu5 h THR 102 CO -0.04 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 1pu5 n TYR 103 N -4.83 1.10 -2.47 3.16 4.01 -1.00 -4.93 117.16 112.20 1pu5 n TYR 103 Ca 0.12 -0.45 -0.19 0.00 -0.16 0.00 0.00 57.90 57.22 1pu5 n TYR 103 Cb 0.27 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1pu5 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pu5 n GLY 104 N 1.00 -0.38 3.79 2.72 0.00 -0.62 -4.94 105.19 106.76 1pu5 n GLY 104 Ca 0.20 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1pu5 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu5 s LEU 105 N -5.40 4.37 0.85 0.99 1.43 -0.31 -5.04 118.68 115.59 1pu5 s LEU 105 Ca 0.06 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 1pu5 s LEU 105 Cb -0.03 -2.51 0.10 0.00 0.03 0.00 0.00 46.19 43.79 1pu5 s LEU 105 CO 0.07 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.81 1pu5 s PRO 106 N -0.38 1.63 0.00 1.29 0.04 -1.26 -4.53 135.00 131.79 1pu5 s PRO 106 Ca 0.22 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1pu5 s PRO 106 Cb -0.15 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1pu5 s PRO 106 CO 0.10 -1.92 0.83 0.00 0.04 0.00 0.00 177.00 176.04 1pu5 s HIS 108 N 0.00 -0.01 0.75 0.00 3.76 -1.26 -4.83 115.29 113.69 1pu5 s HIS 108 Ca 0.00 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 1pu5 s HIS 108 Cb 0.00 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.72 1pu5 s HIS 108 CO 0.00 -0.32 1.08 0.00 -0.85 0.00 0.00 174.74 174.65 1pu5 s PRO 110 N -4.96 3.95 -0.35 0.00 0.04 -1.26 -5.07 135.00 127.34 1pu5 s PRO 110 Ca 0.60 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1pu5 s PRO 110 Cb -0.16 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1pu5 s PRO 110 CO 0.56 -0.05 0.21 -0.06 0.04 0.00 0.00 177.00 177.70 1pu5 s PHE 111 N -2.31 3.22 0.77 0.56 0.08 0.45 -4.94 117.98 115.81 1pu5 s PHE 111 Ca 0.56 -0.60 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 1pu5 s PHE 111 Cb -0.10 -2.45 0.06 0.00 -0.57 0.00 0.00 43.02 39.96 1pu5 s PHE 111 CO 0.25 -0.51 1.09 -1.59 -0.10 0.00 0.00 175.22 174.36 1pu5 s LYS 112 N 1.63 2.27 0.43 0.44 -2.85 -1.26 -0.30 119.74 120.10 1pu5 s LYS 112 Ca 0.04 1.16 -0.26 0.00 -1.00 0.00 0.00 55.97 55.92 1pu5 s LYS 112 Cb -0.18 -1.90 -0.09 0.00 -2.06 0.00 0.00 37.83 33.60 1pu5 s LYS 112 CO 0.08 -1.64 1.42 0.39 0.10 0.00 0.00 175.35 175.71 1pu5 n GLU 113 N -3.52 2.30 -2.11 1.78 4.71 -1.26 -4.82 120.64 117.72 1pu5 n GLU 113 Ca 0.09 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 58.06 1pu5 n GLU 113 Cb 0.53 -2.61 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 1pu5 n GLU 113 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pu5 n GLY 114 N 0.58 -0.60 3.54 0.62 0.00 -0.18 -4.99 105.19 104.16 1pu5 n GLY 114 Ca 0.04 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1pu5 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pu5 s THR 115 N -2.11 3.48 -0.09 2.61 2.01 -1.26 -1.75 115.64 118.53 1pu5 s THR 115 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1pu5 s THR 115 Cb 0.00 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1pu5 s THR 115 CO 0.00 0.59 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.06 1pu5 s TYR 116 N -0.71 1.85 -0.08 4.92 1.51 0.74 -4.99 117.35 120.59 1pu5 s TYR 116 Ca 0.11 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1pu5 s TYR 116 Cb -0.11 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1pu5 s TYR 116 CO 0.01 -0.38 -0.17 -1.12 -1.11 0.00 0.00 175.55 172.78 1pu5 s SER 117 N 0.75 2.32 -0.30 2.29 0.01 -1.26 -1.43 113.70 116.08 1pu5 s SER 117 Ca -0.12 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.77 1pu5 s SER 117 Cb -0.16 -1.07 0.08 0.00 0.21 0.00 0.00 66.02 65.09 1pu5 s SER 117 CO 0.02 0.09 -0.03 -0.22 0.41 0.00 0.00 173.24 173.51 1pu5 s LEU 118 N 0.52 4.04 0.78 2.44 2.96 0.79 -4.94 118.68 125.27 1pu5 s LEU 118 Ca -0.16 -1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 51.88 1pu5 s LEU 118 Cb -0.17 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.02 1pu5 s LEU 118 CO 0.06 -0.28 1.12 -2.84 -1.32 0.00 0.00 176.35 173.09 1pu5 s PRO 119 N 1.02 2.02 -0.39 0.98 0.02 -1.26 -1.43 135.00 135.95 1pu5 s PRO 119 Ca 0.01 1.38 -0.45 0.00 0.02 0.00 0.00 61.00 61.96 1pu5 s PRO 119 Cb -0.19 -1.85 -0.20 0.00 0.02 0.00 0.00 34.50 32.27 1pu5 s PRO 119 CO -0.07 -1.85 1.46 1.63 -0.33 0.00 0.00 177.00 177.84 1pu5 n LYS 120 N -3.42 0.00 -4.19 5.54 5.02 -1.25 -4.69 118.16 115.16 1pu5 n LYS 120 Ca 0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1pu5 n LYS 120 Cb 0.52 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.94 1pu5 n LYS 120 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pu5 s SER 121 N 2.36 1.00 -0.05 4.39 0.01 0.10 -4.92 113.70 116.60 1pu5 s SER 121 Ca 1.00 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.76 1pu5 s SER 121 Cb -1.42 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.71 1pu5 s SER 121 CO 0.75 -0.03 0.38 -0.70 0.41 0.00 0.00 173.24 174.05 1pu5 s GLU 122 N -0.89 3.99 -0.01 12.44 2.12 -1.26 -0.87 118.70 134.22 1pu5 s GLU 122 Ca -0.02 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.66 1pu5 s GLU 122 Cb -0.06 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 1pu5 s GLU 122 CO 0.00 0.56 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.15 1pu5 s PHE 123 N -0.60 0.70 0.06 5.30 0.40 0.50 -4.98 117.98 119.35 1pu5 s PHE 123 Ca 0.22 -0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 1pu5 s PHE 123 Cb -0.16 -0.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 1pu5 s PHE 123 CO 0.11 -0.05 1.00 0.08 0.70 0.00 0.00 175.22 177.06 1pu5 s VAL 124 N 0.04 4.60 0.21 -0.44 1.01 -1.26 -0.33 120.40 124.24 1pu5 s VAL 124 Ca -0.00 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1pu5 s VAL 124 Cb -0.05 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1pu5 s VAL 124 CO -0.00 0.22 1.25 -0.69 0.00 0.00 0.00 175.10 175.87 1pu5 s VAL 125 N 0.58 3.34 -0.73 2.92 1.01 -0.35 -4.91 120.40 122.26 1pu5 s VAL 125 Ca 0.51 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 1pu5 s VAL 125 Cb -0.23 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 1pu5 s VAL 125 CO 0.29 0.19 2.38 -2.84 0.00 0.00 0.00 175.10 175.13 1pu5 s PRO 126 N -0.42 1.76 -0.69 2.72 0.02 -1.26 -4.71 135.00 132.40 1pu5 s PRO 126 Ca 0.53 0.66 -0.38 0.00 0.02 0.00 0.00 61.00 61.83 1pu5 s PRO 126 Cb -0.35 -4.75 -0.19 0.00 0.02 0.00 0.00 34.50 29.23 1pu5 s PRO 126 CO 0.39 -4.14 2.38 -0.25 -0.33 0.00 0.00 177.00 175.05 1pu5 n ASP 127 N 17.82 0.68 -0.09 2.53 9.92 -1.26 -4.77 116.55 141.38 1pu5 n ASP 127 Ca 0.44 0.43 0.15 0.00 -0.53 0.00 0.00 54.79 55.28 1pu5 n ASP 127 Cb 0.46 -0.95 0.76 0.00 -0.64 0.00 0.00 41.12 40.76 1pu5 n ASP 127 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pu5 n LEU 128 N 9.07 0.30 -3.92 0.64 4.77 -1.26 -4.92 117.00 121.68 1pu5 n LEU 128 Ca 0.58 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.27 1pu5 n LEU 128 Cb 0.02 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1pu5 n LEU 128 CO 0.89 0.05 -0.20 -0.62 -1.33 0.00 0.00 177.39 176.19 1pu5 n GLU 129 N -0.93 -2.08 -4.36 3.23 1.02 -1.26 -4.96 120.64 111.30 1pu5 n GLU 129 Ca 0.18 0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 57.38 1pu5 n GLU 129 Cb 0.21 -4.07 -0.11 0.00 -0.02 0.00 0.00 31.44 27.45 1pu5 n GLU 129 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pu5 s LEU 130 N -6.92 2.72 0.61 -4.62 1.02 -1.26 -5.09 118.68 105.14 1pu5 s LEU 130 Ca 0.21 -0.52 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 1pu5 s LEU 130 Cb -0.09 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 1pu5 s LEU 130 CO 0.90 0.19 1.27 -2.84 0.02 0.00 0.00 176.35 175.90 1pu5 s PRO 131 N -2.02 2.79 0.26 1.29 0.02 -1.26 -4.84 135.00 131.24 1pu5 s PRO 131 Ca 0.18 2.01 -0.02 0.00 0.02 0.00 0.00 61.00 63.19 1pu5 s PRO 131 Cb -0.11 -1.94 0.46 0.00 0.02 0.00 0.00 34.50 32.94 1pu5 s PRO 131 CO 0.10 -1.40 1.81 1.03 -0.33 0.00 0.00 177.00 178.21 1pu5 h SER 132 N 0.81 0.74 0.42 2.53 0.87 -1.96 -1.87 113.55 115.10 1pu5 h SER 132 Ca -0.51 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1pu5 h SER 132 Cb 1.32 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1pu5 h SER 132 CO 0.54 0.40 0.00 4.11 -0.53 0.00 0.00 176.83 181.36 1pu5 h TRP 133 N 0.84 0.00 0.04 2.24 5.08 -1.96 -2.14 115.95 120.06 1pu5 h TRP 133 Ca 0.44 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 60.09 1pu5 h TRP 133 Cb 0.44 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.56 1pu5 h TRP 133 CO -0.05 0.00 -1.83 1.28 -1.28 0.00 0.00 178.44 176.57 1pu5 n LEU 134 N -2.53 1.39 0.04 0.11 4.77 -0.72 -4.43 117.00 115.63 1pu5 n LEU 134 Ca -0.00 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1pu5 n LEU 134 Cb 0.15 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1pu5 n LEU 134 CO 0.18 0.54 0.73 0.74 -1.33 0.00 0.00 177.39 178.24 1pu5 h THR 135 N 0.02 1.11 -2.64 -5.08 2.02 -1.17 -3.45 112.91 103.71 1pu5 h THR 135 Ca -0.34 -0.55 -0.59 0.00 0.77 0.00 0.00 66.41 65.70 1pu5 h THR 135 Cb 2.03 1.46 0.09 0.00 -1.74 0.00 0.00 68.15 69.99 1pu5 h THR 135 CO 0.08 0.14 0.46 0.41 0.37 0.00 0.00 175.52 176.98 1pu5 n THR 136 N -5.01 1.29 -0.04 3.16 -1.04 -0.93 -4.67 114.28 107.05 1pu5 n THR 136 Ca -0.08 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1pu5 n THR 136 Cb 0.16 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1pu5 n THR 136 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pu5 n GLY 137 N 1.73 0.80 3.81 3.41 0.00 0.20 -4.94 105.19 110.20 1pu5 n GLY 137 Ca 0.11 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1pu5 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu5 s ASN 138 N -0.64 6.72 0.16 1.61 0.02 -1.26 -0.75 114.94 120.79 1pu5 s ASN 138 Ca 0.00 0.86 0.03 0.00 -1.02 0.00 0.00 52.86 52.72 1pu5 s ASN 138 Cb 0.00 -2.24 -0.05 0.00 0.02 0.00 0.00 41.25 38.99 1pu5 s ASN 138 CO 0.00 0.26 -0.04 -0.31 0.02 0.00 0.00 177.10 177.03 1pu5 s TYR 139 N -0.65 1.20 -0.04 2.20 1.51 0.26 -1.30 117.35 120.53 1pu5 s TYR 139 Ca 0.23 -0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 1pu5 s TYR 139 Cb -0.16 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1pu5 s TYR 139 CO 0.11 -0.09 0.25 -0.98 -1.11 0.00 0.00 175.55 173.73 1pu5 s ARG 140 N -3.84 0.51 0.02 -0.62 1.70 -0.44 -1.79 118.95 114.49 1pu5 s ARG 140 Ca 0.20 -0.08 0.02 0.00 -0.47 0.00 0.00 55.73 55.39 1pu5 s ARG 140 Cb 0.05 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1pu5 s ARG 140 CO 0.02 -0.12 -0.06 -1.50 -1.08 0.00 0.00 175.30 172.55 1pu5 s ILE 141 N -0.90 0.46 -0.07 4.99 2.07 0.09 -1.04 121.20 126.80 1pu5 s ILE 141 Ca -0.10 -0.73 0.04 0.00 -1.41 0.00 0.00 60.65 58.45 1pu5 s ILE 141 Cb -0.05 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1pu5 s ILE 141 CO 0.02 -0.20 -0.19 -0.70 -1.91 0.00 0.00 174.94 171.96 1pu5 s GLU 142 N -1.00 2.31 -0.09 3.50 2.12 -0.32 -1.15 118.70 124.07 1pu5 s GLU 142 Ca -0.06 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.59 1pu5 s GLU 142 Cb -0.07 -1.86 0.02 0.00 0.26 0.00 0.00 34.13 32.48 1pu5 s GLU 142 CO 0.00 0.18 -0.12 0.45 -0.54 0.00 0.00 175.26 175.23 1pu5 s SER 143 N 0.29 2.09 -0.12 -1.70 0.15 -0.29 -0.70 113.70 113.42 1pu5 s SER 143 Ca -0.12 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.20 1pu5 s SER 143 Cb -0.15 -0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1pu5 s SER 143 CO 0.05 -0.02 -0.15 -0.69 1.20 0.00 0.00 173.24 173.64 1pu5 s VAL 144 N 1.07 2.93 -0.13 4.45 1.01 -0.06 -1.16 120.40 128.52 1pu5 s VAL 144 Ca -0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1pu5 s VAL 144 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1pu5 s VAL 144 CO -0.02 0.54 -0.04 -0.22 0.00 0.00 0.00 175.10 175.36 1pu5 s LEU 145 N 0.22 3.23 0.21 3.92 2.96 0.55 -1.41 118.68 128.36 1pu5 s LEU 145 Ca -0.09 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1pu5 s LEU 145 Cb -0.16 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1pu5 s LEU 145 CO 0.05 0.22 0.38 -0.94 -1.32 0.00 0.00 176.35 174.74 1pu5 s SER 146 N 0.03 -0.03 -0.16 3.68 1.04 -0.31 -0.51 113.70 117.44 1pu5 s SER 146 Ca -0.00 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 1pu5 s SER 146 Cb -0.13 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1pu5 s SER 146 CO 0.03 -1.01 0.29 -0.55 0.98 0.00 0.00 173.24 172.97 1pu5 s SER 147 N -3.00 0.40 -1.47 7.02 0.15 -0.58 -0.31 113.70 115.90 1pu5 s SER 147 Ca 0.21 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1pu5 s SER 147 Cb 0.02 0.79 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1pu5 s SER 147 CO 0.05 -0.26 0.23 -1.20 1.20 0.00 0.00 173.24 173.26 1pu5 n SER 148 N 5.35 -5.18 0.00 5.45 7.64 -1.25 -1.04 113.62 124.60 1pu5 n SER 148 Ca -0.06 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1pu5 n SER 148 Cb 0.50 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 1pu5 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pu5 n GLY 149 N -1.12 2.33 3.70 0.23 0.00 -1.26 -5.03 105.19 104.04 1pu5 n GLY 149 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1pu5 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu5 s LYS 150 N -0.58 4.48 -0.01 1.61 1.02 -0.20 -4.99 119.74 121.06 1pu5 s LYS 150 Ca 0.00 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 1pu5 s LYS 150 Cb 0.00 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1pu5 s LYS 150 CO 0.00 -0.20 1.17 0.50 -0.92 0.00 0.00 175.35 175.91 1pu5 s ARG 151 N 1.35 4.40 -0.15 1.68 3.52 -1.26 -1.53 118.95 126.96 1pu5 s ARG 151 Ca 0.54 1.67 0.04 0.00 -0.13 0.00 0.00 55.73 57.85 1pu5 s ARG 151 Cb -0.23 -3.48 -0.12 0.00 -1.56 0.00 0.00 34.95 29.56 1pu5 s ARG 151 CO 0.26 -0.34 -0.09 1.28 -0.81 0.00 0.00 175.30 175.60 1pu5 n LEU 152 N 4.65 2.09 -3.56 -0.88 4.77 0.34 -4.73 117.00 119.68 1pu5 n LEU 152 Ca 0.10 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1pu5 n LEU 152 Cb 0.47 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1pu5 n LEU 152 CO 0.55 0.64 0.65 -0.83 -1.33 0.00 0.00 177.39 177.07 1pu5 s GLY 153 N -5.29 -0.42 -0.28 -0.72 0.00 -0.87 -1.05 107.32 98.69 1pu5 s GLY 153 Ca -0.17 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.07 1pu5 s GLY 153 CO 0.42 0.22 0.73 0.00 0.00 0.00 0.00 173.10 174.47 1pu5 s ILE 155 N 1.60 0.52 -0.06 0.00 -4.36 -0.31 -0.78 121.20 117.82 1pu5 s ILE 155 Ca -0.10 -1.09 0.05 0.00 -0.26 0.00 0.00 60.65 59.25 1pu5 s ILE 155 Cb -0.05 -0.61 -0.01 0.00 1.25 0.00 0.00 42.46 43.04 1pu5 s ILE 155 CO -0.19 -0.40 -0.22 -0.54 0.24 0.00 0.00 174.94 173.82 1pu5 s LYS 156 N -1.63 2.31 0.01 0.37 1.02 0.08 -1.14 119.74 120.77 1pu5 s LYS 156 Ca -0.10 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.14 1pu5 s LYS 156 Cb -0.10 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1pu5 s LYS 156 CO 0.00 0.32 -0.15 0.42 -0.92 0.00 0.00 175.35 175.02 1pu5 s ILE 157 N -0.06 1.18 -0.09 2.17 1.01 -0.30 -1.51 121.20 123.60 1pu5 s ILE 157 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1pu5 s ILE 157 Cb -0.13 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1pu5 s ILE 157 CO 0.03 0.21 -0.19 0.00 0.00 0.00 0.00 174.94 174.99 1pu5 s ALA 158 N -0.55 1.80 0.05 9.38 0.00 0.13 -0.73 121.76 131.83 1pu5 s ALA 158 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 1pu5 s ALA 158 Cb -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1pu5 s ALA 158 CO 0.00 0.19 0.26 0.00 0.00 0.00 0.00 175.76 176.21 1pu5 s ALA 159 N 0.52 -0.54 0.05 0.00 0.00 -0.74 -0.97 121.76 120.09 1pu5 s ALA 159 Ca -0.16 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.75 1pu5 s ALA 159 Cb -0.17 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1pu5 s ALA 159 CO 0.06 -0.40 -0.25 -1.12 0.00 0.00 0.00 175.76 174.05 1pu5 s SER 160 N -2.12 2.99 0.13 0.00 0.01 -1.26 -0.58 113.70 112.87 1pu5 s SER 160 Ca -0.04 -0.59 0.09 0.00 1.31 0.00 0.00 55.95 56.72 1pu5 s SER 160 Cb -0.01 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1pu5 s SER 160 CO -0.04 0.22 -0.15 -0.76 0.41 0.00 0.00 173.24 172.93 1pu5 s LEU 161 N -1.29 2.82 -0.09 2.44 1.43 0.07 -0.52 118.68 123.55 1pu5 s LEU 161 Ca 0.11 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1pu5 s LEU 161 Cb -0.10 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1pu5 s LEU 161 CO 0.02 0.16 0.07 -0.75 0.23 0.00 0.00 176.35 176.08 1pu5 s LYS 162 N -2.30 0.02 1.07 1.70 2.20 -0.30 -0.63 119.74 121.50 1pu5 s LYS 162 Ca 0.20 0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.84 1pu5 s LYS 162 Cb -0.10 -1.03 0.22 0.00 -1.51 0.00 0.00 37.83 35.41 1pu5 s LYS 162 CO 0.12 -0.45 1.13 0.20 -0.36 0.00 0.00 175.35 175.99 1pu5 s GLY 163 N 2.14 1.59 0.00 5.54 0.00 -1.26 -0.73 107.32 114.60 1pu5 s GLY 163 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1pu5 s GLY 163 CO -0.05 0.01 0.00 1.39 0.00 0.00 0.00 173.10 174.44