#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu5 s PHE 5 N 0.00 3.26 -0.00 7.33 2.19 -1.26 -4.35 117.98 125.15 1pu5 s PHE 5 Ca 0.00 1.20 -0.16 0.00 0.33 0.00 0.00 56.93 58.29 1pu5 s PHE 5 Cb 0.00 -3.61 0.03 0.00 -1.31 0.00 0.00 43.02 38.13 1pu5 s PHE 5 CO 0.00 -1.92 0.35 -1.12 1.83 0.00 0.00 175.22 174.35 1pu5 s SER 6 N 0.43 -0.22 0.14 6.13 0.01 -0.53 -4.99 113.70 114.67 1pu5 s SER 6 Ca 0.57 0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.72 1pu5 s SER 6 Cb -0.36 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.26 1pu5 s SER 6 CO 0.37 -0.51 0.47 -1.66 0.41 0.00 0.00 173.24 172.32 1pu5 s TRP 7 N -1.65 -0.31 -0.22 2.43 1.48 -1.26 -0.36 118.94 119.05 1pu5 s TRP 7 Ca -0.11 0.02 -0.28 0.00 -1.06 0.00 0.00 56.10 54.67 1pu5 s TRP 7 Cb -0.04 0.36 0.14 0.00 -1.16 0.00 0.00 33.47 32.77 1pu5 s TRP 7 CO 0.03 -0.75 1.09 0.34 -4.06 0.00 0.00 176.95 173.60 1pu5 s ASP 8 N -2.79 -0.32 0.48 -2.66 3.68 -0.46 -5.00 116.67 109.60 1pu5 s ASP 8 Ca 0.02 0.46 -0.22 0.00 2.13 0.00 0.00 52.55 54.95 1pu5 s ASP 8 Cb 0.01 0.41 -0.07 0.00 -1.45 0.00 0.00 42.92 41.82 1pu5 s ASP 8 CO -0.12 -0.22 1.13 0.20 0.13 0.00 0.00 175.17 176.29 1pu5 s ASN 9 N -0.60 6.12 0.24 -0.34 0.01 -1.26 -0.85 114.94 118.25 1pu5 s ASN 9 Ca 0.02 2.21 0.08 0.00 -0.71 0.00 0.00 52.86 54.46 1pu5 s ASN 9 Cb -0.02 -2.59 0.25 0.00 0.41 0.00 0.00 41.25 39.30 1pu5 s ASN 9 CO -0.03 -0.95 1.55 0.00 -1.51 0.00 0.00 177.10 176.16 1pu5 n ASP 11 N -3.76 -1.70 -0.10 0.00 9.92 -1.26 -5.04 116.55 114.60 1pu5 n ASP 11 Ca -0.01 -2.80 -0.06 0.00 -0.53 0.00 0.00 54.79 51.39 1pu5 n ASP 11 Cb 0.66 0.59 0.00 0.00 -0.64 0.00 0.00 41.12 41.73 1pu5 n ASP 11 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1pu5 h GLU 12 N 4.74 -0.14 -0.65 -1.24 9.09 -1.93 -1.76 114.58 122.68 1pu5 h GLU 12 Ca 0.08 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1pu5 h GLU 12 Cb 0.98 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1pu5 h GLU 12 CO 0.28 -0.09 0.00 0.41 0.05 0.00 0.00 179.01 179.66 1pu5 n GLY 13 N -1.37 0.94 1.52 1.06 0.00 -1.26 -4.11 105.19 101.96 1pu5 n GLY 13 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pu5 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pu5 n LYS 14 N 0.22 0.00 -2.03 1.61 3.00 -0.68 -5.10 118.16 115.18 1pu5 n LYS 14 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 1pu5 n LYS 14 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 35.03 35.10 1pu5 n LYS 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1pu5 s ASP 15 N -4.82 6.47 0.41 3.14 -0.00 -1.12 -4.95 116.67 115.80 1pu5 s ASP 15 Ca 0.00 2.74 0.20 0.00 -0.00 0.00 0.00 52.55 55.49 1pu5 s ASP 15 Cb 0.00 -2.65 0.86 0.00 -0.00 0.00 0.00 42.92 41.13 1pu5 s ASP 15 CO 0.00 -0.75 1.82 1.55 -0.00 0.00 0.00 175.17 177.79 1pu5 h PRO 16 N 2.97 0.00 -4.88 8.23 0.13 -1.80 -3.41 132.00 133.24 1pu5 h PRO 16 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 1pu5 h PRO 16 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 1pu5 h PRO 16 CO 0.64 0.31 -0.59 0.00 -0.23 0.00 0.00 178.00 178.13 1pu5 s ALA 17 N -3.83 3.23 0.05 -0.56 0.00 0.29 -0.98 121.76 119.95 1pu5 s ALA 17 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1pu5 s ALA 17 Cb 0.12 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1pu5 s ALA 17 CO 0.67 -0.65 -0.04 0.14 0.00 0.00 0.00 175.76 175.87 1pu5 s VAL 18 N 1.62 0.31 -0.08 0.00 -7.23 0.31 -4.23 120.40 111.10 1pu5 s VAL 18 Ca 0.06 -1.42 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1pu5 s VAL 18 Cb -0.16 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 1pu5 s VAL 18 CO 0.05 -0.72 0.32 -0.63 -0.31 0.00 0.00 175.10 173.82 1pu5 s ILE 19 N -2.66 5.22 -0.23 -0.62 -1.09 -1.26 -0.57 121.20 119.98 1pu5 s ILE 19 Ca -0.02 0.63 0.10 0.00 -2.23 0.00 0.00 60.65 59.13 1pu5 s ILE 19 Cb -0.01 -3.63 -0.21 0.00 -1.58 0.00 0.00 42.46 37.02 1pu5 s ILE 19 CO -0.05 0.51 -0.06 0.54 -1.23 0.00 0.00 174.94 174.65 1pu5 n ARG 20 N 2.52 0.67 -3.66 2.79 5.12 0.23 -4.85 116.66 119.49 1pu5 n ARG 20 Ca -0.14 0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.70 1pu5 n ARG 20 Cb 0.53 -1.52 -0.08 0.00 -1.16 0.00 0.00 32.46 30.23 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 -5.99 -0.39 -0.25 0.55 1.04 -0.98 -4.97 113.70 102.72 1pu5 s SER 21 Ca -0.22 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1pu5 s SER 21 Cb 0.07 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1pu5 s SER 21 CO 0.72 -0.51 0.61 -0.22 0.98 0.00 0.00 173.24 174.82 1pu5 s LEU 22 N -1.23 -0.66 0.01 2.42 2.96 -1.26 -0.90 118.68 120.02 1pu5 s LEU 22 Ca -0.12 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1pu5 s LEU 22 Cb -0.03 2.09 -0.01 0.00 0.50 0.00 0.00 46.19 48.74 1pu5 s LEU 22 CO 0.06 -0.23 -0.08 0.42 -1.32 0.00 0.00 176.35 175.21 1pu5 s THR 23 N 1.41 0.64 -0.14 3.68 -4.23 -0.52 -4.99 115.64 111.50 1pu5 s THR 23 Ca -0.09 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1pu5 s THR 23 Cb -0.06 -0.58 0.07 0.00 1.34 0.00 0.00 72.50 73.27 1pu5 s THR 23 CO -0.15 0.05 0.19 -0.22 -0.54 0.00 0.00 174.62 173.94 1pu5 s LEU 24 N -0.55 -0.07 0.12 4.79 2.96 -1.26 -2.23 118.68 122.45 1pu5 s LEU 24 Ca 0.00 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1pu5 s LEU 24 Cb -0.05 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 1pu5 s LEU 24 CO 0.00 -0.29 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.98 1pu5 s GLU 25 N 2.30 1.03 0.95 1.98 2.02 -0.27 -4.60 118.70 122.11 1pu5 s GLU 25 Ca 0.04 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 1pu5 s GLU 25 Cb -0.14 -0.99 0.22 0.00 0.10 0.00 0.00 34.13 33.32 1pu5 s GLU 25 CO -0.09 0.20 1.29 -0.35 0.02 0.00 0.00 175.26 176.33 1pu5 n PRO 26 N 0.67 -1.18 -3.85 0.39 -0.04 -1.26 -0.07 135.00 129.66 1pu5 n PRO 26 Ca -0.16 -2.10 -0.28 0.00 -0.04 0.00 0.00 63.50 60.92 1pu5 n PRO 26 Cb 0.56 -1.29 -0.16 0.00 -0.04 0.00 0.00 33.50 32.57 1pu5 n PRO 26 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pu5 s ASP 27 N -5.75 2.96 0.79 3.54 3.68 -1.26 -3.15 116.67 117.47 1pu5 s ASP 27 Ca 0.74 -0.76 -0.12 0.00 2.13 0.00 0.00 52.55 54.54 1pu5 s ASP 27 Cb -0.02 -0.84 0.07 0.00 -1.45 0.00 0.00 42.92 40.68 1pu5 s ASP 27 CO 0.52 -0.23 1.11 -2.16 0.13 0.00 0.00 175.17 174.53 1pu5 s PRO 28 N 1.68 2.14 -0.05 4.34 0.04 -1.26 -5.02 135.00 136.87 1pu5 s PRO 28 Ca -0.01 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.26 1pu5 s PRO 28 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1pu5 s PRO 28 CO -0.07 -1.55 1.13 0.42 0.04 0.00 0.00 177.00 176.96 1pu5 s ILE 29 N -3.24 4.41 -0.17 0.56 1.01 0.34 -4.81 121.20 119.30 1pu5 s ILE 29 Ca 0.61 1.72 -0.11 0.00 0.00 0.00 0.00 60.65 62.87 1pu5 s ILE 29 Cb -0.13 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1pu5 s ILE 29 CO 0.53 0.03 0.20 -0.69 0.00 0.00 0.00 174.94 175.02 1pu5 s VAL 30 N 1.89 5.37 -0.04 2.92 1.01 -1.26 -0.57 120.40 129.71 1pu5 s VAL 30 Ca 0.54 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1pu5 s VAL 30 Cb -0.23 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1pu5 s VAL 30 CO 0.23 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 175.04 1pu5 s VAL 31 N 0.16 0.50 0.73 2.92 1.01 -0.77 -3.21 120.40 121.74 1pu5 s VAL 31 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1pu5 s VAL 31 Cb -0.12 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1pu5 s VAL 31 CO 0.02 0.22 1.15 -2.16 0.00 0.00 0.00 175.10 174.32 1pu5 s PRO 32 N 0.93 2.27 0.00 2.72 0.04 -1.26 -3.47 135.00 136.23 1pu5 s PRO 32 Ca -0.11 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1pu5 s PRO 32 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1pu5 s PRO 32 CO -0.00 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1pu5 n GLY 33 N -0.16 -0.29 3.90 0.56 0.00 -1.20 -5.01 105.19 103.00 1pu5 n GLY 33 Ca 0.12 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 6.47 0.02 1.61 0.01 -1.26 -1.50 114.94 120.29 1pu5 s ASN 34 Ca 0.00 0.59 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 1pu5 s ASN 34 Cb 0.00 -2.09 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1pu5 s ASN 34 CO 0.00 -0.03 -0.13 0.54 -1.51 0.00 0.00 177.10 175.97 1pu5 s VAL 35 N -1.80 1.06 -0.16 1.60 0.11 0.97 -4.51 120.40 117.66 1pu5 s VAL 35 Ca 0.41 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1pu5 s VAL 35 Cb -0.11 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1pu5 s VAL 35 CO 0.26 0.10 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.14 1pu5 s THR 36 N -0.65 3.11 -0.00 5.04 2.01 0.90 0.13 115.64 126.18 1pu5 s THR 36 Ca 0.03 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1pu5 s THR 36 Cb -0.07 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1pu5 s THR 36 CO 0.01 0.49 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.06 1pu5 s LEU 37 N 0.75 2.05 0.01 4.42 2.96 -0.55 -1.11 118.68 127.20 1pu5 s LEU 37 Ca -0.05 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1pu5 s LEU 37 Cb -0.15 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1pu5 s LEU 37 CO 0.01 0.16 0.02 -0.94 -1.32 0.00 0.00 176.35 174.29 1pu5 s SER 38 N -0.44 0.12 -0.09 3.68 1.04 -0.95 -1.06 113.70 116.00 1pu5 s SER 38 Ca 0.05 -0.28 -0.25 0.00 0.48 0.00 0.00 55.95 55.94 1pu5 s SER 38 Cb -0.06 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1pu5 s SER 38 CO -0.00 -0.23 0.59 0.54 0.98 0.00 0.00 173.24 175.12 1pu5 s VAL 39 N -1.01 0.01 -0.04 5.02 0.11 -0.59 -1.43 120.40 122.47 1pu5 s VAL 39 Ca -0.11 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1pu5 s VAL 39 Cb -0.07 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1pu5 s VAL 39 CO -0.00 -0.05 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.00 1pu5 s VAL 40 N -0.85 0.41 0.13 2.04 1.01 -0.08 -0.62 120.40 122.44 1pu5 s VAL 40 Ca -0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1pu5 s VAL 40 Cb -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1pu5 s VAL 40 CO 0.07 0.21 0.15 -0.83 0.00 0.00 0.00 175.10 174.69 1pu5 s GLY 41 N 1.06 0.69 0.02 4.51 0.00 -0.54 0.78 107.32 113.84 1pu5 s GLY 41 Ca -0.09 -1.17 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 1pu5 s GLY 41 CO -0.01 -1.12 0.23 -1.35 0.00 0.00 0.00 173.10 170.86 1pu5 s SER 42 N -2.99 -0.06 -0.03 1.64 1.04 0.26 -0.52 113.70 113.03 1pu5 s SER 42 Ca 0.19 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1pu5 s SER 42 Cb 0.06 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1pu5 s SER 42 CO -0.01 -0.50 -0.06 0.28 0.98 0.00 0.00 173.24 173.94 1pu5 s THR 43 N -1.95 0.57 -2.19 2.02 -1.32 -0.44 -0.53 115.64 111.80 1pu5 s THR 43 Ca -0.10 -0.20 0.30 0.00 -1.21 0.00 0.00 61.69 60.49 1pu5 s THR 43 Cb -0.04 -0.55 0.72 0.00 -1.51 0.00 0.00 72.50 71.12 1pu5 s THR 43 CO -0.00 0.21 1.99 -1.54 -2.21 0.00 0.00 174.62 173.07 1pu5 n SER 44 N 3.66 0.69 -3.95 8.08 3.41 -0.15 -0.87 113.62 124.48 1pu5 n SER 44 Ca -0.22 -1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 57.12 1pu5 n SER 44 Cb 0.53 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.04 0.11 0.39 -3.33 -7.23 -1.26 -4.94 120.40 102.09 1pu5 s VAL 45 Ca 0.42 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 59.45 1pu5 s VAL 45 Cb 0.21 -0.35 -0.09 0.00 0.56 0.00 0.00 36.38 36.72 1pu5 s VAL 45 CO 0.36 -0.48 1.26 -2.16 -0.31 0.00 0.00 175.10 173.77 1pu5 s PRO 46 N -1.53 4.08 -0.49 4.82 0.04 -1.26 -4.42 135.00 136.24 1pu5 s PRO 46 Ca -0.15 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1pu5 s PRO 46 Cb -0.09 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.73 1pu5 s PRO 46 CO -0.01 -0.37 0.45 -0.51 0.04 0.00 0.00 177.00 176.61 1pu5 s LEU 47 N -2.30 5.66 0.24 -3.56 1.43 -0.07 -4.94 118.68 115.15 1pu5 s LEU 47 Ca 0.55 -1.38 0.10 0.00 -1.03 0.00 0.00 54.13 52.37 1pu5 s LEU 47 Cb -0.36 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1pu5 s LEU 47 CO 0.47 -0.73 -0.17 -0.44 0.23 0.00 0.00 176.35 175.71 1pu5 s SER 48 N 2.84 3.05 0.49 2.29 0.01 -1.26 -1.09 113.70 120.03 1pu5 s SER 48 Ca 0.05 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 56.05 1pu5 s SER 48 Cb -0.25 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.70 1pu5 s SER 48 CO 0.06 -0.07 1.36 -0.94 0.41 0.00 0.00 173.24 174.06 1pu5 s SER 49 N -3.40 5.65 0.03 2.44 1.04 -1.26 -3.58 113.70 114.61 1pu5 s SER 49 Ca 0.26 2.77 -0.28 0.00 0.48 0.00 0.00 55.95 59.18 1pu5 s SER 49 Cb -0.03 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1pu5 s SER 49 CO 0.11 -1.31 0.88 -2.16 0.98 0.00 0.00 173.24 171.73 1pu5 s PRO 50 N -2.67 4.56 -0.20 4.02 0.04 -1.26 -5.07 135.00 134.42 1pu5 s PRO 50 Ca 0.66 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1pu5 s PRO 50 Cb -0.40 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1pu5 s PRO 50 CO 0.50 0.11 -0.11 -0.51 0.04 0.00 0.00 177.00 177.02 1pu5 s LEU 51 N 0.47 2.56 -0.16 -3.56 1.43 -1.23 -4.25 118.68 113.93 1pu5 s LEU 51 Ca 0.45 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1pu5 s LEU 51 Cb -0.21 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1pu5 s LEU 51 CO 0.26 -0.00 0.02 -0.75 0.23 0.00 0.00 176.35 176.10 1pu5 s LYS 52 N 1.35 3.77 -0.19 1.70 2.20 0.60 -0.86 119.74 128.30 1pu5 s LYS 52 Ca 0.05 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1pu5 s LYS 52 Cb -0.14 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1pu5 s LYS 52 CO -0.07 0.31 -0.07 0.08 -0.36 0.00 0.00 175.35 175.24 1pu5 s VAL 53 N 0.23 3.28 -0.24 4.02 1.01 -0.64 -1.02 120.40 127.03 1pu5 s VAL 53 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1pu5 s VAL 53 Cb -0.13 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1pu5 s VAL 53 CO 0.01 0.46 -0.06 -1.81 0.00 0.00 0.00 175.10 173.70 1pu5 s ASP 54 N 1.12 4.27 -0.07 3.32 -0.00 -0.09 -0.27 116.67 124.95 1pu5 s ASP 54 Ca 0.01 -0.83 0.02 0.00 -0.00 0.00 0.00 52.55 51.75 1pu5 s ASP 54 Cb -0.15 -1.66 -0.02 0.00 -0.00 0.00 0.00 42.92 41.09 1pu5 s ASP 54 CO -0.01 -0.12 -0.12 -0.76 -0.00 0.00 0.00 175.17 174.16 1pu5 s LEU 55 N 1.33 2.83 -0.23 1.23 1.43 -0.08 -1.04 118.68 124.16 1pu5 s LEU 55 Ca 0.01 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1pu5 s LEU 55 Cb -0.16 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1pu5 s LEU 55 CO -0.05 0.30 -0.08 -0.69 0.23 0.00 0.00 176.35 176.06 1pu5 s VAL 56 N -0.46 1.68 -0.19 -1.59 1.01 -0.38 -3.26 120.40 117.21 1pu5 s VAL 56 Ca 0.06 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 1pu5 s VAL 56 Cb -0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1pu5 s VAL 56 CO 0.02 0.01 -0.00 -0.22 0.00 0.00 0.00 175.10 174.90 1pu5 s LEU 57 N 1.35 3.30 0.07 3.92 2.96 -1.26 -1.12 118.68 127.90 1pu5 s LEU 57 Ca -0.05 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1pu5 s LEU 57 Cb -0.18 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1pu5 s LEU 57 CO -0.07 0.10 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.31 1pu5 s GLU 58 N 0.77 0.84 -0.05 1.98 2.02 -0.51 0.01 118.70 123.76 1pu5 s GLU 58 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.09 1pu5 s GLU 58 Cb -0.14 -0.87 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 1pu5 s GLU 58 CO 0.02 0.20 -0.22 0.21 0.02 0.00 0.00 175.26 175.49 1pu5 s LYS 59 N -1.72 2.48 -0.08 1.61 2.20 -0.19 -1.65 119.74 122.39 1pu5 s LYS 59 Ca -0.01 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 1pu5 s LYS 59 Cb -0.10 -2.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1pu5 s LYS 59 CO 0.02 0.48 1.07 -2.00 -0.36 0.00 0.00 175.35 174.56 1pu5 s GLU 60 N -0.39 4.41 -0.14 4.03 2.12 -0.20 -0.84 118.70 127.70 1pu5 s GLU 60 Ca 0.03 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.83 1pu5 s GLU 60 Cb -0.12 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1pu5 s GLU 60 CO 0.02 -0.34 0.01 0.08 -0.54 0.00 0.00 175.26 174.49 1pu5 s VAL 61 N 1.98 0.52 -1.48 3.70 1.01 0.19 -4.69 120.40 121.63 1pu5 s VAL 61 Ca 0.51 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1pu5 s VAL 61 Cb -0.21 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1pu5 s VAL 61 CO 0.20 0.04 0.99 0.00 0.00 0.00 0.00 175.10 176.34 1pu5 n ALA 62 N 5.08 -1.37 -0.67 5.51 0.00 -1.26 -1.00 120.51 126.78 1pu5 n ALA 62 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pu5 n ALA 62 Cb 0.49 -4.39 0.00 0.00 0.00 0.00 0.00 19.45 15.55 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 -1.73 1.58 3.65 0.00 0.00 -1.26 -5.02 105.19 102.42 1pu5 n GLY 63 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 3.14 -0.24 0.99 1.43 -0.17 -5.10 118.68 118.72 1pu5 s LEU 64 Ca 0.00 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.27 1pu5 s LEU 64 Cb 0.00 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1pu5 s LEU 64 CO 0.00 -0.10 0.08 0.26 0.23 0.00 0.00 176.35 176.82 1pu5 s TRP 65 N -2.39 3.11 -0.25 0.29 0.52 -1.26 0.54 118.94 119.51 1pu5 s TRP 65 Ca 0.33 -0.31 -0.08 0.00 0.02 0.00 0.00 56.10 56.06 1pu5 s TRP 65 Cb -0.04 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1pu5 s TRP 65 CO 0.20 -0.27 0.09 0.42 0.02 0.00 0.00 176.95 177.41 1pu5 s ILE 66 N 1.46 4.56 0.22 2.03 -1.09 -0.02 -4.89 121.20 123.47 1pu5 s ILE 66 Ca 0.06 -0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.09 1pu5 s ILE 66 Cb -0.15 -3.13 -0.09 0.00 -1.58 0.00 0.00 42.46 37.51 1pu5 s ILE 66 CO 0.04 0.34 1.38 -0.75 -1.23 0.00 0.00 174.94 174.71 1pu5 s LYS 67 N 1.48 4.33 -0.34 2.79 2.20 -1.26 -1.02 119.74 127.91 1pu5 s LYS 67 Ca 0.06 2.17 -0.16 0.00 -0.36 0.00 0.00 55.97 57.68 1pu5 s LYS 67 Cb -0.15 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1pu5 s LYS 67 CO 0.05 -0.34 0.43 0.42 -0.36 0.00 0.00 175.35 175.54 1pu5 s ILE 68 N 0.12 5.11 0.87 5.43 -1.09 0.10 -4.93 121.20 126.81 1pu5 s ILE 68 Ca 0.58 0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 59.12 1pu5 s ILE 68 Cb -0.39 -3.87 0.12 0.00 -1.58 0.00 0.00 42.46 36.74 1pu5 s ILE 68 CO 0.40 -0.12 1.12 -2.84 -1.23 0.00 0.00 174.94 172.27 1pu5 s PRO 69 N 2.18 1.39 -0.40 2.79 0.02 -1.26 -1.03 135.00 138.69 1pu5 s PRO 69 Ca 0.15 1.38 -0.26 0.00 0.02 0.00 0.00 61.00 62.29 1pu5 s PRO 69 Cb -0.16 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1pu5 s PRO 69 CO 0.12 -2.31 0.95 0.00 -0.33 0.00 0.00 177.00 175.43 1pu5 s THR 71 N 3.66 1.31 -1.15 0.00 2.01 -0.21 -4.84 115.64 116.41 1pu5 s THR 71 Ca 0.39 -0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 1pu5 s THR 71 Cb -0.11 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.15 1pu5 s THR 71 CO 0.22 0.42 0.74 0.47 -0.69 0.00 0.00 174.62 175.78 1pu5 n ASP 72 N 4.83 -4.85 -1.76 3.53 8.00 -1.26 -2.25 116.55 122.77 1pu5 n ASP 72 Ca -0.15 -1.13 -0.15 0.00 0.71 0.00 0.00 54.79 54.07 1pu5 n ASP 72 Cb 0.50 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.12 38.95 1pu5 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pu5 n TYR 73 N -4.48 -0.61 -4.55 1.24 0.18 -1.26 -4.98 117.16 102.70 1pu5 n TYR 73 Ca -0.11 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.43 1pu5 n TYR 73 Cb 0.58 -2.92 -0.17 0.00 -0.38 0.00 0.00 39.34 36.46 1pu5 n TYR 73 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1pu5 s ILE 74 N -2.44 1.07 -0.46 -3.48 1.01 -0.96 -4.98 121.20 110.97 1pu5 s ILE 74 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1pu5 s ILE 74 Cb 0.00 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1pu5 s ILE 74 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1pu5 n GLY 75 N 3.82 0.39 2.78 6.18 0.00 -1.26 -1.05 105.19 116.05 1pu5 n GLY 75 Ca -0.23 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 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 4.06 -4.86 1.61 7.64 -0.20 -4.65 113.62 117.22 1pu5 n SER 76 Ca 0.00 -2.74 -0.35 0.00 1.01 0.00 0.00 58.87 56.79 1pu5 n SER 76 Cb 0.00 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.68 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 -1.36 3.41 -0.33 0.00 2.01 -1.26 -0.90 115.64 117.21 1pu5 s THR 78 Ca 0.32 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1pu5 s THR 78 Cb -0.14 -2.46 0.09 0.00 0.01 0.00 0.00 72.50 70.01 1pu5 s THR 78 CO 0.17 0.52 0.03 -0.36 -0.69 0.00 0.00 174.62 174.29 1pu5 s PHE 79 N 0.26 3.68 0.22 4.92 0.08 0.62 -4.97 117.98 122.79 1pu5 s PHE 79 Ca -0.07 -2.86 0.25 0.00 0.12 0.00 0.00 56.93 54.38 1pu5 s PHE 79 Cb -0.15 -2.78 1.09 0.00 -0.57 0.00 0.00 43.02 40.61 1pu5 s PHE 79 CO 0.04 -0.94 1.90 0.93 -0.10 0.00 0.00 175.22 177.06 1pu5 h GLU 80 N 7.66 0.00 -2.26 0.44 3.07 -1.83 -1.71 114.58 119.95 1pu5 h GLU 80 Ca -0.07 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.20 1pu5 h GLU 80 Cb 1.03 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 28.52 1pu5 h GLU 80 CO 0.52 0.19 -0.65 0.72 -1.40 0.00 0.00 179.01 178.39 1pu5 n HIS 81 N -3.45 3.85 0.26 4.33 8.25 -1.26 -4.12 115.22 123.09 1pu5 n HIS 81 Ca -0.00 -4.03 0.10 0.00 -0.26 0.00 0.00 57.72 53.52 1pu5 n HIS 81 Cb 0.37 -0.50 0.69 0.00 1.12 0.00 0.00 29.99 31.67 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 3.24 0.00 -0.50 4.41 3.57 -1.07 0.39 116.94 126.99 1pu5 h PHE 82 Ca 0.14 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1pu5 h PHE 82 Cb 0.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1pu5 h PHE 82 CO 0.80 0.04 0.04 0.00 -2.23 0.00 0.00 178.31 176.96 1pu5 h ASP 84 N 0.77 0.92 -0.34 0.00 3.32 -1.32 -1.66 116.42 118.11 1pu5 h ASP 84 Ca 0.16 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1pu5 h ASP 84 Cb 0.41 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1pu5 h ASP 84 CO 0.01 0.84 0.18 0.58 -1.72 0.00 0.00 179.24 179.13 1pu5 h VAL 85 N 0.94 1.00 -0.24 -1.35 2.07 -1.01 0.12 116.25 117.79 1pu5 h VAL 85 Ca 0.22 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1pu5 h VAL 85 Cb 0.21 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1pu5 h VAL 85 CO -0.02 0.07 0.15 -0.07 0.02 0.00 0.00 177.57 177.72 1pu5 h LEU 86 N 0.37 0.26 -1.58 2.57 3.38 -1.11 0.44 115.31 119.65 1pu5 h LEU 86 Ca 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1pu5 h LEU 86 Cb 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pu5 h LEU 86 CO -0.09 0.19 0.02 0.44 0.09 0.00 0.00 178.44 179.09 1pu5 h ASP 87 N 0.31 0.25 -0.27 -0.43 3.32 -0.98 0.19 116.42 118.81 1pu5 h ASP 87 Ca 0.09 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 1pu5 h ASP 87 Cb -0.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1pu5 h ASP 87 CO -0.02 0.29 -0.58 -0.03 -1.72 0.00 0.00 179.24 177.18 1pu5 h MET 88 N 0.28 0.87 0.00 3.56 4.05 -0.31 -2.72 114.93 120.66 1pu5 h MET 88 Ca 0.07 -0.57 -0.18 0.00 -0.28 0.00 0.00 59.70 58.73 1pu5 h MET 88 Cb 0.17 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1pu5 h MET 88 CO 0.00 1.20 -0.86 -0.07 0.23 0.00 0.00 176.91 177.42 1pu5 h LEU 89 N 0.65 0.00 -6.75 3.39 3.38 -0.47 -3.38 115.31 112.13 1pu5 h LEU 89 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 1pu5 h LEU 89 Cb 1.19 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.54 1pu5 h LEU 89 CO 0.13 0.86 -0.76 -0.38 0.09 0.00 0.00 178.44 178.38 1pu5 n ILE 90 N -3.44 0.33 -1.02 1.22 5.41 0.64 -5.09 119.36 117.41 1pu5 n ILE 90 Ca -0.00 -4.21 -0.34 0.00 1.00 0.00 0.00 62.75 59.20 1pu5 n ILE 90 Cb 0.84 -1.94 0.11 0.00 -0.71 0.00 0.00 39.64 37.94 1pu5 n ILE 90 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1pu5 n PRO 91 N 2.35 0.01 -1.68 0.38 -0.02 -1.03 -4.54 135.00 130.48 1pu5 n PRO 91 Ca 0.25 0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 61.39 1pu5 n PRO 91 Cb 0.41 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1pu5 n PRO 91 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1pu5 n THR 92 N -3.12 3.30 0.00 3.45 5.66 -1.26 -1.81 114.28 120.50 1pu5 n THR 92 Ca 0.09 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1pu5 n THR 92 Cb 0.52 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 1pu5 n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pu5 n GLY 93 N 0.98 2.95 3.77 1.09 0.00 -1.26 -5.03 105.19 107.69 1pu5 n GLY 93 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.14 4.68 0.58 1.61 0.41 -0.75 -5.05 118.70 120.03 1pu5 s GLU 94 Ca 0.00 1.38 -0.11 0.00 -0.41 0.00 0.00 54.97 55.83 1pu5 s GLU 94 Cb 0.00 -2.97 -0.05 0.00 -1.78 0.00 0.00 34.13 29.33 1pu5 s GLU 94 CO 0.00 0.37 0.98 -1.25 -0.49 0.00 0.00 175.26 174.86 1pu5 s PRO 95 N -1.74 3.64 0.45 0.39 0.04 -1.26 -4.92 135.00 131.60 1pu5 s PRO 95 Ca 0.47 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.95 1pu5 s PRO 95 Cb -0.21 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1pu5 s PRO 95 CO 0.27 -0.45 1.27 0.00 0.04 0.00 0.00 177.00 178.12 1pu5 s PRO 97 N -2.54 2.80 0.57 0.00 0.04 -1.26 -4.13 135.00 130.48 1pu5 s PRO 97 Ca 0.62 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 1pu5 s PRO 97 Cb -0.36 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1pu5 s PRO 97 CO 0.44 -1.29 1.14 -1.21 0.04 0.00 0.00 177.00 176.12 1pu5 s GLU 98 N -3.73 3.18 0.00 4.56 0.41 -1.26 -0.84 118.70 121.01 1pu5 s GLU 98 Ca 0.72 1.62 0.10 0.00 -0.41 0.00 0.00 54.97 57.00 1pu5 s GLU 98 Cb -0.25 -1.98 0.38 0.00 -1.78 0.00 0.00 34.13 30.50 1pu5 s GLU 98 CO 0.38 -0.99 1.28 -0.35 -0.49 0.00 0.00 175.26 175.08 1pu5 n PRO 99 N -1.55 1.44 -0.31 0.39 -0.04 -1.26 -4.89 135.00 128.78 1pu5 n PRO 99 Ca 0.12 -0.68 -0.05 0.00 -0.04 0.00 0.00 63.50 62.85 1pu5 n PRO 99 Cb 0.51 -1.21 0.08 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.18 1.06 0.22 1.53 4.07 -1.30 -2.62 115.31 119.44 1pu5 h LEU 100 Ca 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1pu5 h LEU 100 Cb 0.27 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1pu5 h LEU 100 CO 0.00 0.86 -0.11 -0.09 -1.08 0.00 0.00 178.44 178.02 1pu5 h ARG 101 N 1.18 -0.29 -0.78 1.13 2.43 -1.69 -0.39 114.38 115.96 1pu5 h ARG 101 Ca 0.30 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.62 1pu5 h ARG 101 Cb 0.04 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.57 1pu5 h ARG 101 CO -0.05 -0.19 0.37 1.15 -1.51 0.00 0.00 179.97 179.74 1pu5 h THR 102 N -0.30 0.73 -0.48 0.20 2.02 -1.87 -2.17 112.91 111.03 1pu5 h THR 102 Ca -0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1pu5 h THR 102 Cb 0.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1pu5 h THR 102 CO 0.05 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 1pu5 n TYR 103 N -4.91 1.31 -2.55 3.16 4.01 -1.00 -4.93 117.16 112.24 1pu5 n TYR 103 Ca 0.15 -0.49 -0.20 0.00 -0.16 0.00 0.00 57.90 57.20 1pu5 n TYR 103 Cb 0.39 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.78 -0.43 3.79 2.72 0.00 -0.75 -4.96 105.19 106.35 1pu5 n GLY 104 Ca 0.20 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.75 4.35 0.74 0.99 1.43 -0.23 -5.03 118.68 115.17 1pu5 s LEU 105 Ca 0.09 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1pu5 s LEU 105 Cb -0.04 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1pu5 s LEU 105 CO 0.11 0.23 1.08 -2.16 0.23 0.00 0.00 176.35 175.84 1pu5 s PRO 106 N -0.32 2.60 0.00 1.29 0.04 -1.26 -4.53 135.00 132.82 1pu5 s PRO 106 Ca 0.19 0.73 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1pu5 s PRO 106 Cb -0.14 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1pu5 s PRO 106 CO 0.07 -1.28 1.01 0.00 0.04 0.00 0.00 177.00 176.84 1pu5 s HIS 108 N 0.00 0.52 0.48 0.00 3.76 -1.26 -4.80 115.29 113.99 1pu5 s HIS 108 Ca 0.03 -0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 53.93 1pu5 s HIS 108 Cb 0.03 -0.36 -0.09 0.00 1.11 0.00 0.00 32.58 33.28 1pu5 s HIS 108 CO -0.02 -0.26 0.95 0.00 -0.85 0.00 0.00 174.74 174.56 1pu5 s PRO 110 N -3.78 4.13 -0.34 0.00 0.04 -1.26 -5.02 135.00 128.77 1pu5 s PRO 110 Ca 0.59 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1pu5 s PRO 110 Cb -0.10 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 1pu5 s PRO 110 CO 0.26 0.26 0.37 -0.06 0.04 0.00 0.00 177.00 177.86 1pu5 s PHE 111 N -1.78 3.21 0.70 0.56 0.08 -0.25 -4.93 117.98 115.57 1pu5 s PHE 111 Ca 0.49 0.02 -0.16 0.00 0.12 0.00 0.00 56.93 57.40 1pu5 s PHE 111 Cb -0.13 -2.67 0.02 0.00 -0.57 0.00 0.00 43.02 39.67 1pu5 s PHE 111 CO 0.19 -0.42 1.23 0.15 -0.10 0.00 0.00 175.22 176.27 1pu5 s LYS 112 N 2.03 2.26 0.61 0.44 1.02 -1.26 -0.89 119.74 123.95 1pu5 s LYS 112 Ca 0.12 1.85 -0.19 0.00 0.02 0.00 0.00 55.97 57.78 1pu5 s LYS 112 Cb -0.16 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1pu5 s LYS 112 CO 0.12 -1.76 1.23 -1.83 -0.92 0.00 0.00 175.35 172.19 1pu5 s GLU 113 N -3.74 2.87 0.00 1.68 1.03 -1.26 -4.81 118.70 114.47 1pu5 s GLU 113 Ca 0.77 1.89 0.00 0.00 0.03 0.00 0.00 54.97 57.66 1pu5 s GLU 113 Cb -0.32 -1.91 0.00 0.00 -0.80 0.00 0.00 34.13 31.11 1pu5 s GLU 113 CO 0.43 -1.31 0.00 0.41 -1.33 0.00 0.00 175.26 173.47 1pu5 n GLY 114 N 0.62 0.69 3.55 -3.83 0.00 -0.05 -4.97 105.19 101.20 1pu5 n GLY 114 Ca 0.14 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.23 3.72 -0.09 2.61 2.01 -1.26 -1.32 115.64 119.08 1pu5 s THR 115 Ca 0.00 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1pu5 s THR 115 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1pu5 s THR 115 CO 0.00 0.57 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.00 1pu5 s TYR 116 N -0.44 2.12 -0.07 4.92 1.51 0.32 -5.00 117.35 120.71 1pu5 s TYR 116 Ca 0.07 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 1pu5 s TYR 116 Cb -0.12 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1pu5 s TYR 116 CO 0.02 -0.40 -0.18 -1.12 -1.11 0.00 0.00 175.55 172.76 1pu5 s SER 117 N 0.60 2.35 -0.32 2.29 0.01 -1.26 -1.47 113.70 115.89 1pu5 s SER 117 Ca -0.14 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1pu5 s SER 117 Cb -0.17 -0.96 0.09 0.00 0.21 0.00 0.00 66.02 65.20 1pu5 s SER 117 CO 0.04 0.11 0.05 -0.22 0.41 0.00 0.00 173.24 173.63 1pu5 s LEU 118 N 0.38 3.90 0.69 2.44 1.98 0.21 -4.95 118.68 123.33 1pu5 s LEU 118 Ca -0.13 -1.92 -0.16 0.00 -2.89 0.00 0.00 54.13 49.03 1pu5 s LEU 118 Cb -0.15 -1.40 0.02 0.00 0.66 0.00 0.00 46.19 45.31 1pu5 s LEU 118 CO 0.05 -0.37 1.22 -2.84 -1.89 0.00 0.00 176.35 172.52 1pu5 s PRO 119 N 1.13 2.35 -0.38 0.98 0.02 -1.26 -1.54 135.00 136.30 1pu5 s PRO 119 Ca 0.08 1.82 -0.45 0.00 0.02 0.00 0.00 61.00 62.48 1pu5 s PRO 119 Cb -0.19 -1.85 -0.20 0.00 0.02 0.00 0.00 34.50 32.29 1pu5 s PRO 119 CO -0.12 -1.69 1.50 1.63 -0.33 0.00 0.00 177.00 177.99 1pu5 n LYS 120 N -2.40 0.10 -4.25 5.54 5.02 -1.26 -4.74 118.16 116.18 1pu5 n LYS 120 Ca 0.14 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 1pu5 n LYS 120 Cb 0.50 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 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 2.41 0.84 0.31 4.39 0.01 -0.23 -4.93 113.70 116.51 1pu5 s SER 121 Ca 1.01 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.95 1pu5 s SER 121 Cb -1.42 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.64 1pu5 s SER 121 CO 0.75 0.07 0.77 -0.70 0.41 0.00 0.00 173.24 174.55 1pu5 s GLU 122 N -0.24 4.12 0.01 12.44 2.12 -1.26 -1.48 118.70 134.40 1pu5 s GLU 122 Ca 0.02 0.80 -0.03 0.00 0.36 0.00 0.00 54.97 56.12 1pu5 s GLU 122 Cb -0.03 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 1pu5 s GLU 122 CO -0.00 0.20 0.06 -0.06 -0.54 0.00 0.00 175.26 174.91 1pu5 s PHE 123 N -1.88 0.12 -0.08 5.30 0.08 0.12 -4.97 117.98 116.66 1pu5 s PHE 123 Ca 0.52 -0.26 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 1pu5 s PHE 123 Cb -0.12 -0.10 -0.05 0.00 -0.57 0.00 0.00 43.02 42.18 1pu5 s PHE 123 CO 0.18 -0.21 0.38 0.14 -0.10 0.00 0.00 175.22 175.61 1pu5 s VAL 124 N -1.20 5.18 0.11 -0.44 -7.23 -1.26 -0.02 120.40 115.53 1pu5 s VAL 124 Ca -0.13 0.75 -0.32 0.00 -1.81 0.00 0.00 61.98 60.47 1pu5 s VAL 124 Cb -0.08 -3.70 -0.11 0.00 0.56 0.00 0.00 36.38 33.05 1pu5 s VAL 124 CO 0.00 0.46 1.80 0.52 -0.31 0.00 0.00 175.10 177.58 1pu5 n VAL 125 N 2.82 0.33 0.00 1.32 0.31 -0.56 -4.76 118.33 117.79 1pu5 n VAL 125 Ca -0.12 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1pu5 n VAL 125 Cb 0.52 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1pu5 n VAL 125 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pu5 n PRO 126 N 5.39 0.00 -1.12 5.55 -0.02 -1.26 -4.66 135.00 138.88 1pu5 n PRO 126 Ca 0.18 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1pu5 n PRO 126 Cb 0.35 -1.62 0.12 0.00 -0.02 0.00 0.00 33.50 32.33 1pu5 n PRO 126 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pu5 s ASP 127 N -1.77 3.84 0.00 2.55 2.15 -1.26 -5.01 116.67 117.17 1pu5 s ASP 127 Ca 0.00 1.79 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1pu5 s ASP 127 Cb 0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1pu5 s ASP 127 CO 0.00 -2.45 0.00 0.18 -0.17 0.00 0.00 175.17 172.73 1pu5 n LEU 128 N -3.79 0.00 -2.68 -1.34 4.77 -1.26 -5.03 117.00 107.66 1pu5 n LEU 128 Ca 0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1pu5 n LEU 128 Cb 0.53 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1pu5 n LEU 128 CO 0.53 0.00 0.50 -0.62 -1.33 0.00 0.00 177.39 176.47 1pu5 n GLU 129 N -0.40 0.22 0.00 3.23 1.02 -1.26 -4.91 120.64 118.54 1pu5 n GLU 129 Ca 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1pu5 n GLU 129 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1pu5 n GLU 129 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1pu5 n LEU 130 N 1.88 0.00 -2.69 -4.62 7.94 -1.26 -5.09 117.00 113.16 1pu5 n LEU 130 Ca 0.06 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.61 1pu5 n LEU 130 Cb 0.67 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.58 1pu5 n LEU 130 CO -0.10 0.00 0.29 -2.65 -1.11 0.00 0.00 177.39 173.81 1pu5 n PRO 131 N 0.00 0.00 0.13 1.96 -0.02 -1.26 -4.87 135.00 130.94 1pu5 n PRO 131 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 1pu5 n PRO 131 Cb 0.00 -0.85 -0.16 0.00 -0.02 0.00 0.00 33.50 32.47 1pu5 n PRO 131 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pu5 h SER 132 N 1.60 0.75 1.40 2.55 4.64 -2.05 -3.29 113.55 119.16 1pu5 h SER 132 Ca -0.28 -0.82 -0.07 0.00 -0.47 0.00 0.00 61.79 60.15 1pu5 h SER 132 Cb 0.86 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1pu5 h SER 132 CO 0.38 1.65 -0.32 4.11 -0.87 0.00 0.00 176.83 181.78 1pu5 h TRP 133 N 0.13 0.00 -0.67 4.77 5.08 -2.05 -3.41 115.95 119.80 1pu5 h TRP 133 Ca -0.24 0.00 -0.43 0.00 1.08 0.00 0.00 58.89 59.29 1pu5 h TRP 133 Cb 2.13 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 28.23 1pu5 h TRP 133 CO 0.11 0.32 1.32 -1.17 -1.28 0.00 0.00 178.44 177.75 1pu5 s LEU 134 N -6.51 3.31 0.43 0.11 2.96 -1.24 -4.89 118.68 112.84 1pu5 s LEU 134 Ca 0.03 -1.64 0.03 0.00 -0.22 0.00 0.00 54.13 52.33 1pu5 s LEU 134 Cb 0.08 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1pu5 s LEU 134 CO 0.70 -2.40 0.06 0.42 -1.32 0.00 0.00 176.35 173.81 1pu5 s THR 135 N 8.61 1.02 0.21 3.68 -4.23 -1.26 -4.92 115.64 118.75 1pu5 s THR 135 Ca 0.63 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.83 1pu5 s THR 135 Cb -0.01 -2.42 -0.15 0.00 1.34 0.00 0.00 72.50 71.26 1pu5 s THR 135 CO 0.07 0.00 1.01 0.41 -0.54 0.00 0.00 174.62 175.57 1pu5 n THR 136 N -1.00 1.39 -0.13 3.99 -1.04 -1.26 -4.83 114.28 111.40 1pu5 n THR 136 Ca -0.10 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1pu5 n THR 136 Cb 0.66 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -1.96 3.83 3.41 0.00 0.41 -4.97 105.19 107.64 1pu5 n GLY 137 Ca 0.14 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.17 6.37 0.19 1.61 0.01 -1.26 -0.72 114.94 120.97 1pu5 s ASN 138 Ca 0.00 0.44 0.05 0.00 -0.71 0.00 0.00 52.86 52.64 1pu5 s ASN 138 Cb 0.00 -2.09 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 1pu5 s ASN 138 CO 0.00 0.32 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.53 1pu5 s TYR 139 N -0.57 1.45 -0.01 2.20 1.51 0.76 -1.03 117.35 121.66 1pu5 s TYR 139 Ca 0.14 -0.78 -0.09 0.00 -1.01 0.00 0.00 57.07 55.33 1pu5 s TYR 139 Cb -0.12 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1pu5 s TYR 139 CO 0.03 0.09 0.18 -0.98 -1.11 0.00 0.00 175.55 173.76 1pu5 s ARG 140 N -3.77 0.47 0.01 -0.62 1.70 -0.66 -1.29 118.95 114.79 1pu5 s ARG 140 Ca 0.22 -0.24 -0.01 0.00 -0.47 0.00 0.00 55.73 55.23 1pu5 s ARG 140 Cb 0.03 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1pu5 s ARG 140 CO 0.04 -0.11 0.00 -1.50 -1.08 0.00 0.00 175.30 172.66 1pu5 s ILE 141 N -1.10 0.06 -0.11 4.99 2.07 0.67 -1.43 121.20 126.35 1pu5 s ILE 141 Ca -0.12 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.65 1pu5 s ILE 141 Cb -0.06 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.36 1pu5 s ILE 141 CO 0.02 -0.27 -0.20 -0.70 -1.91 0.00 0.00 174.94 171.87 1pu5 s GLU 142 N -0.81 2.71 -0.13 3.50 2.12 -0.28 -0.73 118.70 125.07 1pu5 s GLU 142 Ca -0.09 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.52 1pu5 s GLU 142 Cb -0.06 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.18 1pu5 s GLU 142 CO -0.00 0.03 -0.22 0.45 -0.54 0.00 0.00 175.26 174.98 1pu5 s SER 143 N 0.72 3.05 -0.12 -1.70 0.15 -0.14 -1.25 113.70 114.42 1pu5 s SER 143 Ca -0.11 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 55.98 1pu5 s SER 143 Cb -0.16 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.73 1pu5 s SER 143 CO 0.02 0.08 -0.18 -0.69 1.20 0.00 0.00 173.24 173.67 1pu5 s VAL 144 N 0.78 2.61 -0.12 4.45 1.01 -0.20 -1.38 120.40 127.54 1pu5 s VAL 144 Ca -0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1pu5 s VAL 144 Cb -0.16 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1pu5 s VAL 144 CO -0.01 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.35 1pu5 s LEU 145 N 0.33 3.17 0.19 3.92 2.96 0.45 -0.91 118.68 128.79 1pu5 s LEU 145 Ca -0.14 -0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 1pu5 s LEU 145 Cb -0.17 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1pu5 s LEU 145 CO 0.07 0.24 0.40 -0.94 -1.32 0.00 0.00 176.35 174.80 1pu5 s SER 146 N -0.07 -0.09 -0.10 3.68 1.04 -0.19 0.06 113.70 118.03 1pu5 s SER 146 Ca 0.01 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 1pu5 s SER 146 Cb -0.13 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1pu5 s SER 146 CO 0.03 -0.99 0.21 -0.55 0.98 0.00 0.00 173.24 172.92 1pu5 s SER 147 N -2.94 0.35 -1.33 7.02 0.15 -0.54 -0.29 113.70 116.12 1pu5 s SER 147 Ca 0.15 0.46 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 1pu5 s SER 147 Cb 0.01 0.44 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1pu5 s SER 147 CO 0.00 -0.22 0.46 -1.20 1.20 0.00 0.00 173.24 173.48 1pu5 n SER 148 N 5.03 -4.36 0.00 5.45 7.64 -1.26 -1.02 113.62 125.10 1pu5 n SER 148 Ca -0.11 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1pu5 n SER 148 Cb 0.50 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 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 -1.22 1.75 3.68 0.23 0.00 -1.26 -5.02 105.19 103.35 1pu5 n GLY 149 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1pu5 n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pu5 s LYS 150 N -0.33 4.23 0.09 1.61 2.47 -0.19 -5.04 119.74 122.60 1pu5 s LYS 150 Ca 0.00 0.42 -0.31 0.00 -1.56 0.00 0.00 55.97 54.53 1pu5 s LYS 150 Cb 0.00 -3.52 -0.07 0.00 -1.46 0.00 0.00 37.83 32.78 1pu5 s LYS 150 CO 0.00 -0.06 1.29 0.50 0.16 0.00 0.00 175.35 177.24 1pu5 s ARG 151 N 1.33 4.38 -0.24 4.03 3.52 -1.26 -1.46 118.95 129.25 1pu5 s ARG 151 Ca 0.25 1.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.80 1pu5 s ARG 151 Cb -0.15 -3.29 -0.17 0.00 -1.56 0.00 0.00 34.95 29.77 1pu5 s ARG 151 CO 0.10 -0.33 -0.19 1.28 -0.81 0.00 0.00 175.30 175.35 1pu5 n LEU 152 N 3.85 2.65 -3.54 -0.88 4.77 0.11 -4.71 117.00 119.25 1pu5 n LEU 152 Ca 0.10 -0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1pu5 n LEU 152 Cb 0.44 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1pu5 n LEU 152 CO 0.57 0.87 0.49 -0.83 -1.33 0.00 0.00 177.39 177.17 1pu5 s GLY 153 N -6.31 -0.47 -0.24 -0.72 0.00 -0.89 -0.55 107.32 98.15 1pu5 s GLY 153 Ca -0.31 0.43 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 1pu5 s GLY 153 CO 0.60 0.14 0.57 0.00 0.00 0.00 0.00 173.10 174.41 1pu5 s ILE 155 N 1.64 0.36 -0.08 0.00 -4.36 -0.48 -0.90 121.20 117.38 1pu5 s ILE 155 Ca -0.09 -1.16 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1pu5 s ILE 155 Cb -0.07 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 42.99 1pu5 s ILE 155 CO -0.17 -0.53 -0.20 -0.54 0.24 0.00 0.00 174.94 173.74 1pu5 s LYS 156 N -1.95 2.44 -0.01 0.37 1.02 -0.03 -0.97 119.74 120.62 1pu5 s LYS 156 Ca -0.09 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.22 1pu5 s LYS 156 Cb -0.07 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1pu5 s LYS 156 CO -0.02 0.19 -0.16 0.42 -0.92 0.00 0.00 175.35 174.86 1pu5 s ILE 157 N 0.28 1.29 -0.03 2.17 1.01 0.09 -1.36 121.20 124.66 1pu5 s ILE 157 Ca -0.13 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1pu5 s ILE 157 Cb -0.16 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1pu5 s ILE 157 CO 0.06 0.33 -0.21 0.00 0.00 0.00 0.00 174.94 175.12 1pu5 s ALA 158 N -0.44 1.74 0.09 9.38 0.00 0.52 -0.24 121.76 132.81 1pu5 s ALA 158 Ca 0.06 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1pu5 s ALA 158 Cb -0.07 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1pu5 s ALA 158 CO -0.00 0.40 0.39 0.00 0.00 0.00 0.00 175.76 176.54 1pu5 s ALA 159 N -0.35 -0.90 -0.05 0.00 0.00 -0.41 -1.45 121.76 118.60 1pu5 s ALA 159 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1pu5 s ALA 159 Cb -0.09 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1pu5 s ALA 159 CO 0.00 -0.55 -0.20 -1.12 0.00 0.00 0.00 175.76 173.89 1pu5 s SER 160 N -2.47 3.52 0.02 0.00 0.01 -1.26 -0.17 113.70 113.35 1pu5 s SER 160 Ca -0.00 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1pu5 s SER 160 Cb 0.01 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1pu5 s SER 160 CO -0.08 0.31 -0.08 -0.76 0.41 0.00 0.00 173.24 173.04 1pu5 s LEU 161 N -0.52 3.09 -0.15 2.44 2.01 0.11 -0.50 118.68 125.16 1pu5 s LEU 161 Ca 0.07 -0.20 -0.01 0.00 0.01 0.00 0.00 54.13 53.99 1pu5 s LEU 161 Cb -0.11 -1.79 0.04 0.00 0.01 0.00 0.00 46.19 44.33 1pu5 s LEU 161 CO 0.01 0.27 -0.02 -0.75 1.01 0.00 0.00 176.35 176.86 1pu5 s LYS 162 N -1.52 1.10 0.39 1.70 2.47 0.26 -0.44 119.74 123.70 1pu5 s LYS 162 Ca 0.17 -0.34 -0.04 0.00 -1.56 0.00 0.00 55.97 54.20 1pu5 s LYS 162 Cb -0.11 -1.78 0.09 0.00 -1.46 0.00 0.00 37.83 34.57 1pu5 s LYS 162 CO 0.08 -0.44 0.54 0.41 0.16 0.00 0.00 175.35 176.10 1pu5 n GLY 163 N 4.97 -0.39 3.03 5.54 0.00 -1.26 -1.85 105.19 115.23 1pu5 n GLY 163 Ca -0.10 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1pu5 n GLY 163 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71