#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i50 n ASN 8 N 0.00 1.36 -4.57 -3.46 3.02 -1.26 -4.67 115.26 105.68 3i50 n ASN 8 Ca 0.00 -0.93 -0.43 0.00 -0.03 0.00 0.00 54.58 53.19 3i50 n ASN 8 Cb 0.00 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3i50 n ASN 8 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i50 s ARG 9 N 0.70 3.99 1.14 3.52 3.52 -1.26 -3.21 118.95 127.35 3i50 s ARG 9 Ca 0.00 -2.04 -0.18 0.00 -0.13 0.00 0.00 55.73 53.38 3i50 s ARG 9 Cb 0.00 -5.50 0.14 0.00 -1.56 0.00 0.00 34.95 28.04 3i50 s ARG 9 CO 0.00 -2.22 0.15 -0.25 -0.81 0.00 0.00 175.30 172.17 3i50 n ASP 10 N 8.17 -2.48 -3.62 -2.12 8.00 -0.15 -4.69 116.55 119.66 3i50 n ASP 10 Ca 0.48 -0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.64 3i50 n ASP 10 Cb 0.46 -0.95 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 3i50 n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3i50 s PHE 11 N -2.22 -0.44 0.12 1.24 0.08 -1.26 -1.09 117.98 114.40 3i50 s PHE 11 Ca 0.55 0.89 0.00 0.00 0.12 0.00 0.00 56.93 58.49 3i50 s PHE 11 Cb -0.12 -0.06 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3i50 s PHE 11 CO 0.62 -0.42 0.02 1.28 -0.10 0.00 0.00 175.22 176.62 3i50 n LEU 12 N 5.35 0.00 -3.63 -0.37 4.32 -0.05 -4.98 117.00 117.64 3i50 n LEU 12 Ca -0.06 -0.80 -0.20 0.00 -0.02 0.00 0.00 56.01 54.93 3i50 n LEU 12 Cb 0.50 0.17 -0.16 0.00 -1.62 0.00 0.00 43.42 42.30 3i50 n LEU 12 CO 0.03 -0.12 -0.28 -0.70 -1.22 0.00 0.00 177.39 175.11 3i50 s GLU 13 N -2.43 0.04 0.00 3.23 2.56 -1.26 -2.68 118.70 118.16 3i50 s GLU 13 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.31 3i50 s GLU 13 Cb 0.00 -0.84 0.00 0.00 2.00 0.00 0.00 34.13 35.29 3i50 s GLU 13 CO 0.02 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.67 3i50 n GLY 14 N 5.31 0.00 3.60 -1.50 0.00 0.25 -4.72 105.19 108.13 3i50 n GLY 14 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 3i50 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i50 s VAL 15 N 0.00 0.00 -0.93 1.61 1.01 -1.25 -4.49 120.40 116.34 3i50 s VAL 15 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3i50 s VAL 15 Cb 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 36.38 35.08 3i50 s VAL 15 CO 0.00 0.00 2.06 -1.20 0.00 0.00 0.00 175.10 175.96 3i50 n SER 16 N 0.71 -1.18 -4.14 3.32 7.64 -1.26 -1.46 113.62 117.24 3i50 n SER 16 Ca -0.07 -0.43 -0.34 0.00 1.01 0.00 0.00 58.87 59.04 3i50 n SER 16 Cb 0.58 -0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 3i50 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i50 n GLY 17 N 5.23 -0.43 3.37 0.23 0.00 -1.26 -4.96 105.19 107.37 3i50 n GLY 17 Ca 0.63 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.61 3i50 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i50 s ALA 18 N -3.36 2.02 -0.48 4.61 0.00 -0.54 -5.05 121.76 118.95 3i50 s ALA 18 Ca 0.65 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3i50 s ALA 18 Cb -0.35 0.40 0.51 0.00 0.00 0.00 0.00 23.12 23.68 3i50 s ALA 18 CO 0.90 -0.20 1.91 0.25 0.00 0.00 0.00 175.76 178.63 3i50 n THR 19 N -0.49 3.18 -3.81 0.00 -2.24 -1.26 -4.47 114.28 105.18 3i50 n THR 19 Ca -0.05 -2.12 -0.08 0.00 -2.27 0.00 0.00 64.05 59.53 3i50 n THR 19 Cb 0.64 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 3i50 n THR 19 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3i50 s TRP 20 N -3.13 -0.20 -0.17 4.78 1.48 -1.26 -2.79 118.94 117.64 3i50 s TRP 20 Ca 0.54 -0.22 -0.21 0.00 -1.06 0.00 0.00 56.10 55.15 3i50 s TRP 20 Cb 0.44 0.66 0.06 0.00 -1.16 0.00 0.00 33.47 33.46 3i50 s TRP 20 CO 0.05 -1.17 0.57 0.08 -4.06 0.00 0.00 176.95 172.42 3i50 s VAL 21 N -3.90 0.01 -0.27 -0.66 1.01 -0.95 -3.83 120.40 111.80 3i50 s VAL 21 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3i50 s VAL 21 Cb -0.05 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3i50 s VAL 21 CO 0.04 -0.03 0.00 -1.81 0.00 0.00 0.00 175.10 173.31 3i50 s ASP 22 N -0.13 4.70 0.28 3.32 1.11 -1.26 0.07 116.67 124.75 3i50 s ASP 22 Ca -0.03 -0.80 0.08 0.00 0.18 0.00 0.00 52.55 51.97 3i50 s ASP 22 Cb -0.03 -1.76 -0.06 0.00 1.07 0.00 0.00 42.92 42.14 3i50 s ASP 22 CO 0.03 -0.16 -0.10 -0.22 1.18 0.00 0.00 175.17 175.90 3i50 s LEU 23 N 1.40 2.55 -0.02 1.23 2.96 0.74 -4.96 118.68 122.58 3i50 s LEU 23 Ca 0.01 -1.14 -0.05 0.00 -0.22 0.00 0.00 54.13 52.72 3i50 s LEU 23 Cb -0.17 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3i50 s LEU 23 CO -0.01 -0.24 0.12 0.54 -1.32 0.00 0.00 176.35 175.44 3i50 s VAL 24 N -2.87 0.05 0.14 1.68 0.11 -1.26 -0.25 120.40 118.00 3i50 s VAL 24 Ca 0.29 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 3i50 s VAL 24 Cb 0.02 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3i50 s VAL 24 CO 0.12 -0.21 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.76 3i50 s LEU 25 N -0.70 2.43 0.00 2.54 1.43 -0.38 -4.95 118.68 119.04 3i50 s LEU 25 Ca -0.08 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3i50 s LEU 25 Cb -0.05 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3i50 s LEU 25 CO 0.01 -0.10 0.00 -1.84 0.23 0.00 0.00 176.35 174.64 3i50 n GLU 26 N 0.39 3.10 0.25 1.70 0.28 -1.26 -3.02 120.64 122.08 3i50 n GLU 26 Ca -0.14 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.03 3i50 n GLU 26 Cb 0.57 0.00 0.87 0.00 1.43 0.00 0.00 31.44 34.31 3i50 n GLU 26 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3i50 h GLY 27 N 0.00 0.00 0.00 -1.84 0.00 -1.77 -3.37 103.07 96.09 3i50 h GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i50 h GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3i50 n ASP 28 N -2.70 0.00 -4.38 0.19 8.00 -1.26 -4.89 116.55 111.52 3i50 n ASP 28 Ca -0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 3i50 n ASP 28 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3i50 n ASP 28 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i50 n SER 29 N -1.24 -1.92 -4.50 -2.24 3.41 -1.26 -4.49 113.62 101.37 3i50 n SER 29 Ca 0.00 0.82 -0.26 0.00 -0.26 0.00 0.00 58.87 59.18 3i50 n SER 29 Cb 0.00 -1.01 -0.10 0.00 -0.26 0.00 0.00 64.21 62.84 3i50 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i50 s VAL 31 N -3.04 -0.23 0.02 0.00 1.01 0.11 -0.97 120.40 117.29 3i50 s VAL 31 Ca 0.30 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 3i50 s VAL 31 Cb 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 3i50 s VAL 31 CO 0.15 0.09 0.56 -0.89 0.00 0.00 0.00 175.10 175.00 3i50 s THR 32 N 1.84 4.87 -0.21 3.92 2.01 -0.25 -0.65 115.64 127.17 3i50 s THR 32 Ca -0.04 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.14 3i50 s THR 32 Cb -0.11 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.55 3i50 s THR 32 CO -0.09 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 3i50 s ILE 33 N -0.58 1.72 0.28 1.82 1.01 -1.14 -0.87 121.20 123.44 3i50 s ILE 33 Ca 0.29 -1.08 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3i50 s ILE 33 Cb -0.18 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3i50 s ILE 33 CO 0.17 0.16 0.16 -0.04 0.00 0.00 0.00 174.94 175.39 3i50 s MET 34 N 1.36 2.66 -0.10 2.79 -1.94 -1.09 -2.41 119.30 120.57 3i50 s MET 34 Ca -0.02 -1.25 -0.31 0.00 -1.71 0.00 0.00 55.69 52.40 3i50 s MET 34 Cb -0.17 -2.40 0.12 0.00 2.01 0.00 0.00 34.83 34.40 3i50 s MET 34 CO -0.08 0.30 1.01 -1.54 -0.01 0.00 0.00 175.02 174.70 3i50 s SER 35 N -3.83 -0.30 0.00 3.03 1.04 -1.26 -0.58 113.70 111.81 3i50 s SER 35 Ca 0.35 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3i50 s SER 35 Cb -0.06 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3i50 s SER 35 CO 0.24 -0.43 0.49 0.29 0.98 0.00 0.00 173.24 174.81 3i50 n LYS 36 N 0.08 0.00 0.33 4.02 5.02 -1.26 -4.11 118.16 122.25 3i50 n LYS 36 Ca -0.07 0.39 -0.15 0.00 -2.02 0.00 0.00 58.31 56.47 3i50 n LYS 36 Cb 0.60 -0.99 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 3i50 n LYS 36 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3i50 h ASP 37 N 0.00 -0.74 -3.97 4.39 3.04 -2.00 -3.45 116.42 113.68 3i50 h ASP 37 Ca 0.00 -0.01 -0.47 0.00 -3.24 0.00 0.00 57.03 53.31 3i50 h ASP 37 Cb 0.00 0.19 0.01 0.00 -1.04 0.00 0.00 39.33 38.49 3i50 h ASP 37 CO 0.00 -0.38 0.39 -0.54 -2.04 0.00 0.00 179.24 176.68 3i50 s LYS 38 N -4.86 4.19 1.16 4.15 1.02 -1.26 -4.71 119.74 119.43 3i50 s LYS 38 Ca -0.15 1.43 -0.13 0.00 0.02 0.00 0.00 55.97 57.15 3i50 s LYS 38 Cb 0.02 -2.49 0.28 0.00 -0.52 0.00 0.00 37.83 35.12 3i50 s LYS 38 CO 0.47 -0.10 1.03 -2.14 -0.92 0.00 0.00 175.35 173.69 3i50 s PRO 39 N -2.59 -0.89 0.26 -1.68 0.02 -1.26 -4.17 135.00 124.69 3i50 s PRO 39 Ca 0.58 0.83 -0.16 0.00 0.02 0.00 0.00 61.00 62.27 3i50 s PRO 39 Cb -0.20 -1.56 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 3i50 s PRO 39 CO 0.25 -3.70 0.70 0.95 -0.33 0.00 0.00 177.00 174.87 3i50 s THR 40 N -2.48 4.67 -0.28 0.99 -4.23 -1.26 -4.70 115.64 108.34 3i50 s THR 40 Ca 0.68 1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 62.21 3i50 s THR 40 Cb -0.25 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 69.97 3i50 s THR 40 CO 0.64 0.00 0.06 0.27 -0.54 0.00 0.00 174.62 175.05 3i50 s ILE 41 N -1.76 1.09 -0.08 2.99 -4.36 -1.01 -2.84 121.20 115.22 3i50 s ILE 41 Ca 0.48 -1.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 3i50 s ILE 41 Cb -0.13 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3i50 s ILE 41 CO 0.19 -0.51 1.52 -1.81 0.24 0.00 0.00 174.94 174.57 3i50 s ASP 42 N 1.53 6.76 -0.21 4.36 1.11 -1.08 -2.89 116.67 126.25 3i50 s ASP 42 Ca 0.06 2.07 -0.02 0.00 0.18 0.00 0.00 52.55 54.83 3i50 s ASP 42 Cb -0.18 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.28 3i50 s ASP 42 CO -0.18 -0.86 -0.09 -0.69 1.18 0.00 0.00 175.17 174.53 3i50 s VAL 43 N 3.76 3.00 0.11 -1.27 1.01 0.17 0.75 120.40 127.93 3i50 s VAL 43 Ca 0.67 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 62.13 3i50 s VAL 43 Cb -0.30 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3i50 s VAL 43 CO 0.25 0.45 -0.26 -0.75 0.00 0.00 0.00 175.10 174.79 3i50 s LYS 44 N 1.42 1.46 -0.85 2.72 2.20 0.35 0.04 119.74 127.08 3i50 s LYS 44 Ca 0.05 -1.27 -0.12 0.00 -0.36 0.00 0.00 55.97 54.27 3i50 s LYS 44 Cb -0.14 -1.86 0.22 0.00 -1.51 0.00 0.00 37.83 34.55 3i50 s LYS 44 CO -0.06 0.45 0.79 1.41 -0.36 0.00 0.00 175.35 177.58 3i50 s MET 45 N -1.85 3.60 0.12 4.03 -2.45 -1.23 -0.46 119.30 121.07 3i50 s MET 45 Ca 0.13 -2.58 -0.20 0.00 -1.25 0.00 0.00 55.69 51.78 3i50 s MET 45 Cb -0.10 -4.39 -0.06 0.00 1.25 0.00 0.00 34.83 31.53 3i50 s MET 45 CO 0.05 -1.27 1.75 0.52 1.05 0.00 0.00 175.02 177.11 3i50 h MET 46 N 7.55 0.14 -1.91 4.11 0.00 -1.26 -3.42 114.93 120.14 3i50 h MET 46 Ca 0.11 -0.01 0.26 0.00 0.00 0.00 0.00 59.70 60.06 3i50 h MET 46 Cb 1.01 -0.03 -0.09 0.00 0.00 0.00 0.00 31.60 32.48 3i50 h MET 46 CO 0.78 0.09 0.70 1.21 0.00 0.00 0.00 176.91 179.69 3i50 s ASN 47 N -5.29 -0.08 -0.03 1.22 3.84 -1.21 -4.97 114.94 108.41 3i50 s ASN 47 Ca -0.13 -0.29 -0.02 0.00 0.21 0.00 0.00 52.86 52.63 3i50 s ASN 47 Cb 0.09 0.30 0.01 0.00 -0.55 0.00 0.00 41.25 41.10 3i50 s ASN 47 CO 0.68 -0.57 0.08 0.00 -2.79 0.00 0.00 177.10 174.50 3i50 s MET 48 N -2.64 0.08 0.08 0.43 0.23 -1.26 0.18 119.30 116.39 3i50 s MET 48 Ca 0.16 0.14 0.02 0.00 -1.03 0.00 0.00 55.69 54.98 3i50 s MET 48 Cb 0.02 -0.01 -0.03 0.00 -1.53 0.00 0.00 34.83 33.27 3i50 s MET 48 CO -0.01 -0.04 -0.08 -1.21 -2.03 0.00 0.00 175.02 171.65 3i50 s GLU 49 N 0.26 0.72 -0.17 3.16 2.02 -1.10 -3.40 118.70 120.19 3i50 s GLU 49 Ca -0.02 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 3i50 s GLU 49 Cb -0.03 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 3i50 s GLU 49 CO -0.01 0.03 0.36 0.00 0.02 0.00 0.00 175.26 175.67 3i50 s ALA 50 N -2.46 3.55 -0.04 5.21 0.00 -0.89 -0.23 121.76 126.90 3i50 s ALA 50 Ca 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 3i50 s ALA 50 Cb -0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3i50 s ALA 50 CO -0.02 -0.06 0.17 0.00 0.00 0.00 0.00 175.76 175.85 3i50 s ALA 51 N 0.79 3.93 -0.05 0.00 0.00 -0.01 -3.02 121.76 123.39 3i50 s ALA 51 Ca 0.19 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 3i50 s ALA 51 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3i50 s ALA 51 CO 0.06 0.71 0.08 0.09 0.00 0.00 0.00 175.76 176.71 3i50 n ASN 52 N 1.23 -3.30 -4.76 0.00 3.02 -1.23 -4.81 115.26 105.41 3i50 n ASN 52 Ca -0.13 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3i50 n ASN 52 Cb 0.53 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 3i50 n ASN 52 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i50 s LEU 53 N -0.70 4.52 0.05 3.41 1.43 -1.26 -5.01 118.68 121.13 3i50 s LEU 53 Ca 0.05 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 3i50 s LEU 53 Cb -0.00 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 3i50 s LEU 53 CO 0.11 0.11 0.26 0.00 0.23 0.00 0.00 176.35 177.06 3i50 s ALA 54 N -0.57 3.91 0.29 4.21 0.00 -1.20 -4.87 121.76 123.52 3i50 s ALA 54 Ca 0.37 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 3i50 s ALA 54 Cb -0.22 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 20.84 3i50 s ALA 54 CO 0.24 0.73 1.21 -2.00 0.00 0.00 0.00 175.76 175.94 3i50 s GLU 55 N -2.26 4.49 0.00 0.00 2.12 -1.26 -2.09 118.70 119.70 3i50 s GLU 55 Ca 0.33 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3i50 s GLU 55 Cb -0.13 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3i50 s GLU 55 CO 0.23 -0.01 0.00 0.28 -0.54 0.00 0.00 175.26 175.22 3i50 n VAL 56 N 1.25 0.00 -3.18 3.70 0.31 -0.20 -4.84 118.33 115.37 3i50 n VAL 56 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3i50 n VAL 56 Cb 0.43 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.70 3i50 n VAL 56 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i50 s ARG 57 N -1.78 0.03 -0.17 5.55 3.52 -1.18 -4.30 118.95 120.63 3i50 s ARG 57 Ca 0.00 0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3i50 s ARG 57 Cb 0.00 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.41 3i50 s ARG 57 CO 0.00 -0.01 0.00 -1.54 -0.81 0.00 0.00 175.30 172.94 3i50 s SER 58 N 2.04 5.08 0.32 -2.12 1.04 -1.23 -1.83 113.70 117.00 3i50 s SER 58 Ca 0.01 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 3i50 s SER 58 Cb -0.01 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 3i50 s SER 58 CO -0.16 0.16 0.55 -0.31 0.98 0.00 0.00 173.24 174.45 3i50 s TYR 59 N 0.43 3.49 0.17 5.02 1.51 -0.69 -1.43 117.35 125.85 3i50 s TYR 59 Ca -0.01 0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 56.51 3i50 s TYR 59 Cb -0.14 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3i50 s TYR 59 CO 0.02 0.14 0.35 0.00 -1.11 0.00 0.00 175.55 174.96 3i50 n TYR 61 N -0.42 0.00 -2.89 0.00 0.18 -0.66 -4.53 117.16 108.85 3i50 n TYR 61 Ca -0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.72 3i50 n TYR 61 Cb 0.53 0.03 0.01 0.00 -0.38 0.00 0.00 39.34 39.53 3i50 n TYR 61 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3i50 s LEU 62 N 0.00 -1.16 0.73 -3.48 2.96 -1.26 -1.74 118.68 114.74 3i50 s LEU 62 Ca 0.00 -1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 52.77 3i50 s LEU 62 Cb 0.00 1.50 0.03 0.00 0.50 0.00 0.00 46.19 48.22 3i50 s LEU 62 CO 0.00 -0.08 1.08 0.00 -1.32 0.00 0.00 176.35 176.03 3i50 s ALA 63 N 1.33 2.56 -0.12 5.97 0.00 -1.26 -1.41 121.76 128.83 3i50 s ALA 63 Ca 0.23 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3i50 s ALA 63 Cb 0.01 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3i50 s ALA 63 CO -0.08 -1.39 -0.21 0.95 0.00 0.00 0.00 175.76 175.04 3i50 s THR 64 N -3.14 1.91 -0.21 0.00 -4.23 0.22 -4.81 115.64 105.37 3i50 s THR 64 Ca 0.59 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 3i50 s THR 64 Cb -0.14 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3i50 s THR 64 CO 0.54 0.52 0.05 -0.69 -0.54 0.00 0.00 174.62 174.50 3i50 s VAL 65 N 0.65 4.39 0.31 2.29 1.01 -1.26 -1.37 120.40 126.43 3i50 s VAL 65 Ca -0.12 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3i50 s VAL 65 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3i50 s VAL 65 CO 0.03 0.41 0.23 -0.94 0.00 0.00 0.00 175.10 174.82 3i50 s SER 66 N 0.94 1.52 -0.97 3.32 1.04 -1.19 -4.98 113.70 113.37 3i50 s SER 66 Ca 0.03 -1.67 -0.08 0.00 0.48 0.00 0.00 55.95 54.71 3i50 s SER 66 Cb -0.14 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3i50 s SER 66 CO 0.02 -1.00 0.80 0.47 0.98 0.00 0.00 173.24 174.52 3i50 n ASP 67 N -1.25 -6.50 -4.74 7.02 9.92 -1.26 -0.92 116.55 118.82 3i50 n ASP 67 Ca 0.05 -0.63 -0.30 0.00 -0.53 0.00 0.00 54.79 53.38 3i50 n ASP 67 Cb 0.63 -4.48 0.12 0.00 -0.64 0.00 0.00 41.12 36.75 3i50 n ASP 67 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i50 s LEU 68 N -5.25 2.46 0.00 0.64 2.96 -1.26 -3.85 118.68 114.38 3i50 s LEU 68 Ca 0.30 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 3i50 s LEU 68 Cb -0.07 -4.03 0.00 0.00 0.50 0.00 0.00 46.19 42.60 3i50 s LEU 68 CO 0.79 -2.41 0.00 -1.54 -1.32 0.00 0.00 176.35 171.87 3i50 n SER 69 N -3.74 0.00 -4.15 3.68 3.41 -1.12 -4.98 113.62 106.72 3i50 n SER 69 Ca 0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.35 3i50 n SER 69 Cb 0.55 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 3i50 n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3i50 s THR 70 N 0.00 2.52 0.47 6.66 -1.32 -1.26 -1.80 115.64 120.91 3i50 s THR 70 Ca 0.00 -1.10 -0.13 0.00 -1.21 0.00 0.00 61.69 59.25 3i50 s THR 70 Cb 0.00 -2.26 -0.07 0.00 -1.51 0.00 0.00 72.50 68.67 3i50 s THR 70 CO 0.00 0.26 0.88 -0.75 -2.21 0.00 0.00 174.62 172.80 3i50 s LYS 71 N 1.28 3.82 0.24 7.08 2.47 0.30 -4.84 119.74 130.08 3i50 s LYS 71 Ca -0.00 0.67 -0.01 0.00 -1.56 0.00 0.00 55.97 55.07 3i50 s LYS 71 Cb -0.16 -2.26 -0.03 0.00 -1.46 0.00 0.00 37.83 33.92 3i50 s LYS 71 CO -0.07 -0.19 0.22 0.00 0.16 0.00 0.00 175.35 175.47 3i50 s ALA 72 N -2.56 1.09 -0.29 3.13 0.00 -1.26 -0.91 121.76 120.95 3i50 s ALA 72 Ca 0.54 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 3i50 s ALA 72 Cb -0.10 1.35 0.14 0.00 0.00 0.00 0.00 23.12 24.51 3i50 s ALA 72 CO 0.34 -0.65 1.01 0.00 0.00 0.00 0.00 175.76 176.46 3i50 s ALA 73 N -3.95 -2.22 1.23 0.00 0.00 -0.96 -4.81 121.76 111.05 3i50 s ALA 73 Ca 0.37 2.12 -0.12 0.00 0.00 0.00 0.00 51.96 54.32 3i50 s ALA 73 Cb 0.05 -1.66 0.19 0.00 0.00 0.00 0.00 23.12 21.70 3i50 s ALA 73 CO 0.15 -0.32 0.47 0.00 0.00 0.00 0.00 175.76 176.07 3i50 s PRO 75 N -4.12 -2.03 -1.63 0.00 0.02 -1.26 -3.68 135.00 122.30 3i50 s PRO 75 Ca 0.35 0.02 -0.14 0.00 0.02 0.00 0.00 61.00 61.25 3i50 s PRO 75 Cb -0.06 -1.49 0.12 0.00 0.02 0.00 0.00 34.50 33.09 3i50 s PRO 75 CO 0.29 -4.26 0.68 0.25 -0.33 0.00 0.00 177.00 173.63 3i50 n THR 76 N -5.17 -1.50 -1.91 0.99 -2.24 -1.26 -4.64 114.28 98.55 3i50 n THR 76 Ca 0.13 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i50 n THR 76 Cb 0.60 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 3i50 n THR 76 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3i50 n MET 77 N -4.40 0.00 0.00 -0.78 2.81 -1.25 -5.15 117.12 108.35 3i50 n MET 77 Ca -0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3i50 n MET 77 Cb 0.54 -0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 3i50 n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i50 n GLY 78 N 0.00 0.59 3.47 3.03 0.00 -1.26 -4.61 105.19 106.40 3i50 n GLY 78 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3i50 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i50 s GLU 79 N 0.00 3.19 0.08 1.61 2.12 -1.26 -4.35 118.70 120.10 3i50 s GLU 79 Ca 0.00 -0.68 -0.36 0.00 0.36 0.00 0.00 54.97 54.29 3i50 s GLU 79 Cb 0.00 -4.11 -0.16 0.00 0.26 0.00 0.00 34.13 30.12 3i50 s GLU 79 CO 0.00 -1.44 1.40 0.00 -0.54 0.00 0.00 175.26 174.68 3i50 n ALA 80 N 6.91 -0.52 -4.00 6.30 0.00 -1.26 -4.97 120.51 122.96 3i50 n ALA 80 Ca -0.03 0.50 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 3i50 n ALA 80 Cb 0.46 -2.13 -0.16 0.00 0.00 0.00 0.00 19.45 17.61 3i50 n ALA 80 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i50 s HIS 81 N 0.70 2.10 -0.09 0.00 3.76 -1.26 -4.46 115.29 116.04 3i50 s HIS 81 Ca 0.84 -1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.26 3i50 s HIS 81 Cb -0.91 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.21 3i50 s HIS 81 CO 0.46 -0.66 1.04 1.21 -0.85 0.00 0.00 174.74 175.95 3i50 s ASN 82 N 1.51 7.21 0.41 1.40 3.84 -1.26 -4.94 114.94 123.11 3i50 s ASN 82 Ca 0.04 1.60 0.08 0.00 0.21 0.00 0.00 52.86 54.79 3i50 s ASN 82 Cb -0.13 -2.56 0.86 0.00 -0.55 0.00 0.00 41.25 38.87 3i50 s ASN 82 CO -0.10 -0.46 2.02 -2.24 -2.79 0.00 0.00 177.10 173.53 3i50 h ASP 83 N 7.15 0.39 0.22 -4.21 3.04 -1.96 -1.01 116.42 120.03 3i50 h ASP 83 Ca -0.32 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 3i50 h ASP 83 Cb 1.15 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 3i50 h ASP 83 CO 0.85 0.34 0.00 0.29 -2.04 0.00 0.00 179.24 178.69 3i50 n LYS 84 N -4.43 0.16 0.00 4.15 4.76 -1.26 -2.27 118.16 119.28 3i50 n LYS 84 Ca 0.02 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3i50 n LYS 84 Cb 0.12 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 3i50 n LYS 84 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3i50 n ARG 85 N -2.26 0.00 0.00 1.97 0.63 -0.38 0.06 116.66 116.68 3i50 n ARG 85 Ca -0.00 0.08 0.10 0.00 -0.92 0.00 0.00 57.85 57.10 3i50 n ARG 85 Cb 0.09 -1.51 0.07 0.00 0.45 0.00 0.00 32.46 31.55 3i50 n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i50 n ALA 86 N -1.01 2.66 -3.36 5.13 0.00 -0.96 -4.89 120.51 118.08 3i50 n ALA 86 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 3i50 n ALA 86 Cb 0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 3i50 n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i50 s ASP 87 N -1.81 4.51 0.31 0.00 -1.08 0.11 -5.01 116.67 113.69 3i50 s ASP 87 Ca 0.22 -0.33 0.05 0.00 -0.52 0.00 0.00 52.55 51.97 3i50 s ASP 87 Cb 0.17 -1.78 0.69 0.00 -1.46 0.00 0.00 42.92 40.54 3i50 s ASP 87 CO 0.31 -0.01 1.82 -0.65 0.52 0.00 0.00 175.17 177.16 3i50 h PRO 88 N 8.01 0.81 0.00 4.34 0.11 -1.90 -0.93 132.00 142.43 3i50 h PRO 88 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i50 h PRO 88 Cb 1.17 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3i50 h PRO 88 CO 0.60 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 3i50 h ALA 89 N 1.59 1.00 -2.70 -0.75 0.00 -1.93 -3.42 119.26 113.05 3i50 h ALA 89 Ca 0.52 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.77 3i50 h ALA 89 Cb 0.72 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3i50 h ALA 89 CO -0.30 0.00 -0.49 -0.06 0.00 0.00 0.00 179.25 178.40 3i50 s PHE 90 N -3.60 3.57 -0.18 0.00 0.40 -0.36 -0.71 117.98 117.10 3i50 s PHE 90 Ca -0.02 0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.75 3i50 s PHE 90 Cb 0.07 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 3i50 s PHE 90 CO 0.23 0.71 -0.03 0.08 0.70 0.00 0.00 175.22 176.90 3i50 s VAL 91 N -1.08 3.73 -0.04 -0.44 1.01 0.66 -4.90 120.40 119.34 3i50 s VAL 91 Ca 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3i50 s VAL 91 Cb -0.12 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3i50 s VAL 91 CO 0.07 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.42 3i50 s ARG 93 N -0.15 1.06 0.25 0.00 1.81 -0.41 -4.98 118.95 116.52 3i50 s ARG 93 Ca -0.01 -1.24 -0.30 0.00 -1.72 0.00 0.00 55.73 52.46 3i50 s ARG 93 Cb -0.11 -2.42 -0.10 0.00 -0.45 0.00 0.00 34.95 31.86 3i50 s ARG 93 CO 0.02 -0.89 1.49 -1.14 -0.68 0.00 0.00 175.30 174.10 3i50 s GLN 94 N 1.40 4.23 0.00 3.54 0.74 -1.26 -3.21 119.66 125.10 3i50 s GLN 94 Ca 0.07 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.85 3i50 s GLN 94 Cb -0.18 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.83 3i50 s GLN 94 CO -0.17 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 174.49 3i50 n GLY 95 N 2.43 5.80 3.49 2.59 0.00 0.14 -4.98 105.19 114.66 3i50 n GLY 95 Ca 0.08 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 3i50 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i50 s VAL 96 N 0.32 0.01 -0.04 1.61 1.01 -1.26 -3.17 120.40 118.88 3i50 s VAL 96 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3i50 s VAL 96 Cb 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.53 3i50 s VAL 96 CO 0.00 -0.04 0.53 0.54 0.00 0.00 0.00 175.10 176.13 3i50 s VAL 97 N -0.65 0.02 0.57 2.92 0.11 -1.07 -4.89 120.40 117.41 3i50 s VAL 97 Ca -0.07 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 3i50 s VAL 97 Cb -0.02 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3i50 s VAL 97 CO 0.06 -0.11 1.28 -1.81 -3.33 0.00 0.00 175.10 171.19 3i50 s ASP 98 N -1.24 5.23 0.12 3.54 1.01 -1.26 -1.33 116.67 122.72 3i50 s ASP 98 Ca -0.12 2.58 -0.09 0.00 0.71 0.00 0.00 52.55 55.63 3i50 s ASP 98 Cb -0.02 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 3i50 s ASP 98 CO 0.08 -1.58 0.23 -0.13 0.21 0.00 0.00 175.17 173.98 3i50 s ARG 99 N -3.08 0.97 0.00 8.23 1.81 -0.69 -4.65 118.95 121.53 3i50 s ARG 99 Ca 0.74 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 3i50 s ARG 99 Cb -0.36 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.50 3i50 s ARG 99 CO 0.41 -0.33 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 3i50 n GLY 100 N -0.12 -1.37 0.29 -3.53 0.00 -1.26 -2.22 105.19 96.97 3i50 n GLY 100 Ca -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 44.97 3i50 n GLY 100 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i50 h TRP 101 N 0.00 -0.14 0.00 1.61 6.55 -1.45 -0.48 115.95 122.04 3i50 h TRP 101 Ca 0.00 0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.90 3i50 h TRP 101 Cb 0.00 0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 3i50 h TRP 101 CO 0.00 -0.29 0.07 0.41 -1.05 0.00 0.00 178.44 177.59 3i50 n GLY 102 N -1.45 -0.20 2.78 1.49 0.00 -1.26 -1.61 105.19 104.94 3i50 n GLY 102 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3i50 n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i50 n ASN 103 N -1.13 0.88 -2.37 1.61 0.23 -0.21 -5.02 115.26 109.25 3i50 n ASN 103 Ca 0.00 -2.17 -0.14 0.00 -0.53 0.00 0.00 54.58 51.74 3i50 n ASN 103 Cb 0.07 -0.22 0.05 0.00 -2.08 0.00 0.00 39.78 37.60 3i50 n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i50 n GLY 104 N -0.69 0.04 2.84 4.83 0.00 -0.63 -4.85 105.19 106.73 3i50 n GLY 104 Ca 0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3i50 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i50 n GLY 106 N 3.96 -0.35 2.72 0.00 0.00 -1.26 -1.08 105.19 109.18 3i50 n GLY 106 Ca -0.25 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 3i50 n GLY 106 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i50 s LEU 107 N -1.75 -0.09 -0.01 0.99 0.20 -1.26 -4.90 118.68 111.86 3i50 s LEU 107 Ca 0.35 -0.72 -0.35 0.00 0.69 0.00 0.00 54.13 54.10 3i50 s LEU 107 Cb 0.18 0.35 -0.14 0.00 -0.43 0.00 0.00 46.19 46.15 3i50 s LEU 107 CO 0.29 -0.38 1.69 0.49 -0.29 0.00 0.00 176.35 178.14 3i50 n PHE 108 N 5.30 2.17 -0.02 5.38 3.01 -1.26 -4.60 117.46 127.44 3i50 n PHE 108 Ca -0.03 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.67 3i50 n PHE 108 Cb 0.46 -2.55 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 3i50 n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i50 n GLY 109 N 3.81 -1.89 3.61 1.37 0.00 -0.94 -4.99 105.19 106.16 3i50 n GLY 109 Ca 0.21 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 3i50 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i50 s LYS 110 N -1.99 3.84 0.22 1.61 -0.14 -1.26 -1.70 119.74 120.31 3i50 s LYS 110 Ca 0.00 0.73 -0.17 0.00 -1.36 0.00 0.00 55.97 55.17 3i50 s LYS 110 Cb 0.00 -3.85 -0.08 0.00 -1.68 0.00 0.00 37.83 32.23 3i50 s LYS 110 CO 0.00 -1.20 0.67 0.20 -0.76 0.00 0.00 175.35 174.26 3i50 s GLY 111 N 2.16 2.51 1.07 -3.33 0.00 -0.45 -4.05 107.32 105.23 3i50 s GLY 111 Ca 0.46 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 45.09 3i50 s GLY 111 CO 0.25 0.33 1.07 -0.45 0.00 0.00 0.00 173.10 174.31 3i50 s SER 112 N -1.81 1.91 -0.29 1.64 0.15 0.19 -2.61 113.70 112.90 3i50 s SER 112 Ca 0.43 1.23 -0.25 0.00 0.70 0.00 0.00 55.95 58.07 3i50 s SER 112 Cb -0.15 -1.92 0.14 0.00 -1.71 0.00 0.00 66.02 62.38 3i50 s SER 112 CO 0.20 -3.58 1.11 -0.51 1.20 0.00 0.00 173.24 171.66 3i50 s ILE 113 N -2.81 0.00 -0.10 6.45 2.07 -1.19 -2.27 121.20 123.35 3i50 s ILE 113 Ca 0.67 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.88 3i50 s ILE 113 Cb -0.20 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.43 3i50 s ILE 113 CO 0.60 0.00 0.04 -0.62 -1.91 0.00 0.00 174.94 173.04 3i50 s ASP 114 N 0.24 1.81 -0.17 4.50 2.15 -0.09 0.26 116.67 125.36 3i50 s ASP 114 Ca 0.04 -0.25 -0.05 0.00 0.43 0.00 0.00 52.55 52.72 3i50 s ASP 114 Cb -0.05 -0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.19 3i50 s ASP 114 CO -0.08 -0.25 -0.01 -0.89 -0.17 0.00 0.00 175.17 173.76 3i50 s THR 115 N 2.03 4.03 0.11 1.71 2.01 -1.20 -0.54 115.64 123.80 3i50 s THR 115 Ca 0.04 -0.30 0.10 0.00 0.31 0.00 0.00 61.69 61.83 3i50 s THR 115 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3i50 s THR 115 CO -0.06 0.47 -0.25 0.00 -0.69 0.00 0.00 174.62 174.09 3i50 s ALA 117 N -1.05 -1.60 0.43 0.00 0.00 -0.87 -2.79 121.76 115.87 3i50 s ALA 117 Ca 0.12 1.83 -0.24 0.00 0.00 0.00 0.00 51.96 53.67 3i50 s ALA 117 Cb -0.10 -1.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 3i50 s ALA 117 CO 0.05 -0.31 1.11 0.21 0.00 0.00 0.00 175.76 176.82 3i50 s LYS 118 N 0.36 3.98 -0.17 0.00 2.20 -0.10 -0.25 119.74 125.76 3i50 s LYS 118 Ca -0.00 1.65 -0.02 0.00 -0.36 0.00 0.00 55.97 57.24 3i50 s LYS 118 Cb -0.05 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 3i50 s LYS 118 CO 0.01 -0.33 -0.09 0.12 -0.36 0.00 0.00 175.35 174.69 3i50 s PHE 119 N -1.60 2.89 0.06 4.03 2.19 0.11 -3.18 117.98 122.48 3i50 s PHE 119 Ca 0.60 -0.80 0.05 0.00 0.33 0.00 0.00 56.93 57.11 3i50 s PHE 119 Cb -0.25 -1.97 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 3i50 s PHE 119 CO 0.31 -0.37 -0.14 0.00 1.83 0.00 0.00 175.22 176.85 3i50 s ALA 120 N 0.88 1.14 -0.11 11.12 0.00 -0.47 -4.94 121.76 129.38 3i50 s ALA 120 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 3i50 s ALA 120 Cb -0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3i50 s ALA 120 CO 0.00 0.17 0.06 0.00 0.00 0.00 0.00 175.76 176.00 3i50 n SER 122 N 2.16 2.32 -3.68 0.00 7.64 -0.50 -4.87 113.62 116.70 3i50 n SER 122 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 3i50 n SER 122 Cb 0.54 1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 64.99 3i50 n SER 122 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i50 s THR 123 N -2.69 -0.31 -0.08 0.44 -4.23 -1.25 -4.99 115.64 102.54 3i50 s THR 123 Ca -0.05 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 3i50 s THR 123 Cb 0.07 -0.58 -0.03 0.00 1.34 0.00 0.00 72.50 73.29 3i50 s THR 123 CO 0.48 0.06 0.01 -0.54 -0.54 0.00 0.00 174.62 174.09 3i50 s LYS 124 N 1.97 3.00 -0.74 3.99 1.02 -1.26 -1.65 119.74 126.08 3i50 s LYS 124 Ca -0.05 -0.40 -0.16 0.00 0.02 0.00 0.00 55.97 55.38 3i50 s LYS 124 Cb -0.10 -2.81 0.17 0.00 -0.52 0.00 0.00 37.83 34.56 3i50 s LYS 124 CO -0.12 0.70 0.75 0.00 -0.92 0.00 0.00 175.35 175.77 3i50 s ALA 125 N -0.91 3.77 -0.19 5.17 0.00 0.37 -4.84 121.76 125.13 3i50 s ALA 125 Ca 0.14 -2.88 -0.29 0.00 0.00 0.00 0.00 51.96 48.93 3i50 s ALA 125 Cb -0.11 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i50 s ALA 125 CO 0.03 -2.33 1.08 0.42 0.00 0.00 0.00 175.76 174.96 3i50 s ILE 126 N 1.28 4.61 -0.20 0.00 1.01 -1.25 -1.71 121.20 124.94 3i50 s ILE 126 Ca 0.16 1.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.63 3i50 s ILE 126 Cb -0.16 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 3i50 s ILE 126 CO -0.04 -0.13 0.16 -0.83 0.00 0.00 0.00 174.94 174.10 3i50 s GLY 127 N 1.33 2.06 0.28 6.18 0.00 -0.76 -3.25 107.32 113.17 3i50 s GLY 127 Ca 0.47 -0.66 0.06 0.00 0.00 0.00 0.00 44.72 44.59 3i50 s GLY 127 CO 0.10 0.20 -0.05 0.50 0.00 0.00 0.00 173.10 173.85 3i50 s ARG 128 N 0.41 1.56 0.06 2.90 0.52 -1.02 -1.04 118.95 122.34 3i50 s ARG 128 Ca 0.09 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.52 3i50 s ARG 128 Cb -0.11 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.18 3i50 s ARG 128 CO -0.01 0.02 -0.06 -0.08 0.02 0.00 0.00 175.30 175.20 3i50 s THR 129 N -3.02 0.47 0.07 0.02 -1.32 -0.89 -1.36 115.64 109.61 3i50 s THR 129 Ca 0.30 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 3i50 s THR 129 Cb 0.04 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 3i50 s THR 129 CO 0.12 -0.66 -0.04 -0.63 -2.21 0.00 0.00 174.62 171.20 3i50 s ILE 130 N -2.53 0.42 0.16 5.08 1.01 -1.26 -3.27 121.20 120.81 3i50 s ILE 130 Ca -0.01 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.73 3i50 s ILE 130 Cb -0.02 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3i50 s ILE 130 CO -0.03 -0.94 0.29 0.18 0.00 0.00 0.00 174.94 174.43 3i50 n LEU 131 N 0.04 0.00 -0.29 2.97 4.77 -1.26 -4.17 117.00 119.06 3i50 n LEU 131 Ca -0.13 -1.19 0.20 0.00 -0.03 0.00 0.00 56.01 54.86 3i50 n LEU 131 Cb 0.61 1.42 0.49 0.00 -2.33 0.00 0.00 43.42 43.61 3i50 n LEU 131 CO 0.29 -0.34 1.22 0.07 -1.33 0.00 0.00 177.39 177.30 3i50 h LYS 132 N 0.00 0.43 -0.04 3.23 2.10 -2.01 -2.09 116.57 118.20 3i50 h LYS 132 Ca -0.13 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3i50 h LYS 132 Cb 0.53 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3i50 h LYS 132 CO 0.18 0.29 0.00 0.39 -2.00 0.00 0.00 179.45 178.30 3i50 n GLU 133 N -4.58 0.67 0.00 0.07 1.02 -1.26 -3.37 120.64 113.19 3i50 n GLU 133 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3i50 n GLU 133 Cb 0.76 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 3i50 n GLU 133 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i50 n ASN 134 N -0.46 0.00 -4.64 1.62 3.02 -0.79 -5.03 115.26 108.97 3i50 n ASN 134 Ca 0.00 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 3i50 n ASN 134 Cb 0.01 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3i50 n ASN 134 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i50 s ILE 135 N 0.00 4.94 0.43 2.41 1.01 -1.18 -0.83 121.20 127.97 3i50 s ILE 135 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 3i50 s ILE 135 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3i50 s ILE 135 CO 0.00 0.02 0.68 -0.54 0.00 0.00 0.00 174.94 175.10 3i50 s LYS 136 N 2.40 3.43 -0.29 2.79 1.02 0.68 -4.30 119.74 125.47 3i50 s LYS 136 Ca 0.31 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 3i50 s LYS 136 Cb -0.16 -2.51 0.12 0.00 -0.52 0.00 0.00 37.83 34.76 3i50 s LYS 136 CO 0.09 -0.09 0.20 0.71 -0.92 0.00 0.00 175.35 175.34 3i50 s TYR 137 N -2.55 -0.01 0.14 3.18 2.02 -0.41 -2.70 117.35 117.01 3i50 s TYR 137 Ca 0.45 -0.58 -0.31 0.00 -0.37 0.00 0.00 57.07 56.25 3i50 s TYR 137 Cb -0.10 -0.71 -0.10 0.00 -0.40 0.00 0.00 41.96 40.65 3i50 s TYR 137 CO 0.40 -0.87 1.64 -1.21 -1.57 0.00 0.00 175.55 173.94 3i50 s GLU 138 N 2.21 4.19 -0.34 -0.62 2.02 0.47 -0.98 118.70 125.65 3i50 s GLU 138 Ca 0.09 2.41 -0.01 0.00 0.02 0.00 0.00 54.97 57.48 3i50 s GLU 138 Cb -0.15 -3.30 0.12 0.00 0.10 0.00 0.00 34.13 30.90 3i50 s GLU 138 CO -0.35 -0.68 0.17 0.08 0.02 0.00 0.00 175.26 174.49 3i50 s VAL 139 N 1.68 0.41 0.43 2.63 1.01 0.15 -0.73 120.40 125.98 3i50 s VAL 139 Ca 0.73 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 3i50 s VAL 139 Cb -0.44 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3i50 s VAL 139 CO 0.32 -0.84 1.05 0.00 0.00 0.00 0.00 175.10 175.63 3i50 s ALA 140 N 1.37 3.02 -0.05 5.51 0.00 0.40 -3.14 121.76 128.88 3i50 s ALA 140 Ca 0.14 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3i50 s ALA 140 Cb -0.20 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3i50 s ALA 140 CO -0.15 -0.25 -0.04 0.42 0.00 0.00 0.00 175.76 175.73 3i50 s ILE 141 N -1.75 0.53 0.28 0.00 1.01 -0.78 -0.50 121.20 119.99 3i50 s ILE 141 Ca 0.61 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 61.24 3i50 s ILE 141 Cb -0.20 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3i50 s ILE 141 CO 0.25 0.23 0.01 -0.36 0.00 0.00 0.00 174.94 175.07 3i50 s PHE 142 N 0.98 2.69 -0.06 3.97 0.40 0.23 -3.04 117.98 123.15 3i50 s PHE 142 Ca -0.10 -0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 55.90 3i50 s PHE 142 Cb -0.14 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.14 3i50 s PHE 142 CO -0.00 0.58 0.19 0.08 0.70 0.00 0.00 175.22 176.77 3i50 s VAL 143 N -2.35 0.02 -0.65 -0.44 1.01 -1.26 -2.65 120.40 114.08 3i50 s VAL 143 Ca 0.32 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3i50 s VAL 143 Cb -0.06 -0.33 0.23 0.00 0.00 0.00 0.00 36.38 36.22 3i50 s VAL 143 CO 0.20 -0.09 0.67 1.41 0.00 0.00 0.00 175.10 177.29 3i50 n HIS 144 N 2.60 3.37 0.00 5.22 -0.00 -1.13 -4.79 115.22 120.48 3i50 n HIS 144 Ca -0.15 -4.17 0.00 0.00 -0.00 0.00 0.00 57.72 53.40 3i50 n HIS 144 Cb 0.58 -0.56 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3i50 n HIS 144 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 3i50 n GLN 163 N 1.20 0.00 0.00 -0.41 7.27 -1.26 -4.53 117.38 119.65 3i50 n GLN 163 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.34 3i50 n GLN 163 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 3i50 n GLN 163 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i50 n ALA 164 N -0.01 0.00 0.00 1.69 0.00 -1.26 -4.69 120.51 116.23 3i50 n ALA 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i50 n ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i50 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i50 n GLY 165 N 0.00 3.85 3.72 0.00 0.00 -1.17 -4.99 105.19 106.60 3i50 n GLY 165 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3i50 n GLY 165 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i50 s ARG 166 N -3.29 2.12 0.19 1.61 1.70 -1.26 -1.87 118.95 118.15 3i50 s ARG 166 Ca 0.00 -2.22 -0.22 0.00 -0.47 0.00 0.00 55.73 52.82 3i50 s ARG 166 Cb 0.00 -1.66 0.07 0.00 -0.57 0.00 0.00 34.95 32.80 3i50 s ARG 166 CO 0.00 -0.25 1.02 -0.59 -1.08 0.00 0.00 175.30 174.40 3i50 s PHE 167 N -2.78 0.04 0.21 5.89 -0.71 -1.19 -4.97 117.98 114.47 3i50 s PHE 167 Ca 0.22 -0.44 0.10 0.00 -1.04 0.00 0.00 56.93 55.77 3i50 s PHE 167 Cb 0.04 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.51 3i50 s PHE 167 CO 0.12 -0.93 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.32 3i50 s SER 168 N -3.32 3.18 -0.03 1.98 1.04 -1.26 0.30 113.70 115.60 3i50 s SER 168 Ca 0.20 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3i50 s SER 168 Cb -0.02 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.89 3i50 s SER 168 CO 0.05 0.04 -0.02 -0.63 0.98 0.00 0.00 173.24 173.65 3i50 s ILE 169 N -2.07 0.29 0.19 -1.02 -1.09 -0.15 -4.80 121.20 112.55 3i50 s ILE 169 Ca 0.21 -0.03 0.11 0.00 -2.23 0.00 0.00 60.65 58.72 3i50 s ILE 169 Cb -0.06 -0.34 -0.04 0.00 -1.58 0.00 0.00 42.46 40.44 3i50 s ILE 169 CO 0.10 0.15 -0.24 0.42 -1.23 0.00 0.00 174.94 174.14 3i50 s THR 170 N 0.68 2.37 0.41 2.92 -4.23 -1.17 -1.29 115.64 115.33 3i50 s THR 170 Ca -0.07 -2.01 0.39 0.00 -1.18 0.00 0.00 61.69 58.81 3i50 s THR 170 Cb -0.11 -2.13 0.39 0.00 1.34 0.00 0.00 72.50 72.00 3i50 s THR 170 CO -0.01 -0.11 2.18 -0.65 -0.54 0.00 0.00 174.62 175.50 3i50 h PRO 171 N 3.23 0.00 0.08 3.99 0.11 -1.77 -0.69 132.00 136.96 3i50 h PRO 171 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i50 h PRO 171 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i50 h PRO 171 CO 0.48 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.23 3i50 h ALA 172 N 2.01 -0.24 -3.01 -0.75 0.00 -1.93 -3.41 119.26 111.93 3i50 h ALA 172 Ca 0.00 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.17 3i50 h ALA 172 Cb 0.07 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.56 3i50 h ALA 172 CO 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 179.25 178.83 3i50 s ALA 173 N -3.10 3.91 0.03 0.00 0.00 -1.09 -4.96 121.76 116.56 3i50 s ALA 173 Ca -0.02 -3.49 -0.18 0.00 0.00 0.00 0.00 51.96 48.28 3i50 s ALA 173 Cb 0.00 -2.86 -0.22 0.00 0.00 0.00 0.00 23.12 20.04 3i50 s ALA 173 CO 0.05 -2.15 1.15 -1.35 0.00 0.00 0.00 175.76 173.46 3i50 h PRO 174 N 6.76 0.53 0.00 0.00 0.11 -1.37 -3.09 132.00 134.94 3i50 h PRO 174 Ca 0.07 -0.54 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 3i50 h PRO 174 Cb 0.91 0.15 0.17 0.00 0.11 0.00 0.00 31.00 32.34 3i50 h PRO 174 CO 0.77 1.17 0.12 -1.13 -0.21 0.00 0.00 178.00 178.72 3i50 n SER 175 N -4.11 -1.78 0.00 -2.05 3.41 -1.26 -4.28 113.62 103.56 3i50 n SER 175 Ca -0.10 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 3i50 n SER 175 Cb 0.72 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3i50 n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i50 n TYR 176 N -4.47 0.00 -3.67 7.33 9.36 -1.22 -4.92 117.16 119.57 3i50 n TYR 176 Ca 0.13 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.98 3i50 n TYR 176 Cb 0.51 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.10 3i50 n TYR 176 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3i50 s THR 177 N 0.00 4.84 -0.29 2.97 2.01 -1.26 -2.01 115.64 121.90 3i50 s THR 177 Ca 0.00 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 3i50 s THR 177 Cb 0.00 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3i50 s THR 177 CO 0.00 0.30 0.13 -0.22 -0.69 0.00 0.00 174.62 174.14 3i50 s LEU 178 N 1.66 3.94 0.05 4.42 0.20 -0.88 -4.91 118.68 123.16 3i50 s LEU 178 Ca 0.07 -0.45 -0.31 0.00 0.69 0.00 0.00 54.13 54.13 3i50 s LEU 178 Cb -0.15 -1.98 -0.06 0.00 -0.43 0.00 0.00 46.19 43.57 3i50 s LEU 178 CO 0.07 -0.15 1.26 -0.54 -0.29 0.00 0.00 176.35 176.70 3i50 s LYS 179 N 1.61 4.39 -0.02 1.98 -0.14 -1.26 -2.46 119.74 123.83 3i50 s LYS 179 Ca 0.05 1.84 0.07 0.00 -1.36 0.00 0.00 55.97 56.57 3i50 s LYS 179 Cb -0.17 -3.37 0.19 0.00 -1.68 0.00 0.00 37.83 32.80 3i50 s LYS 179 CO 0.06 -0.34 1.15 1.28 -0.76 0.00 0.00 175.35 176.73 3i50 n LEU 180 N 4.19 2.55 0.00 3.17 4.77 0.32 -4.97 117.00 127.03 3i50 n LEU 180 Ca 0.10 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 3i50 n LEU 180 Cb 0.45 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3i50 n LEU 180 CO 0.56 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3i50 n GLY 181 N -0.12 2.80 0.00 -0.72 0.00 -1.21 -2.71 105.19 103.23 3i50 n GLY 181 Ca 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.87 3i50 n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i50 n GLU 182 N 13.46 0.01 0.00 1.61 2.13 -1.26 -1.08 120.64 135.52 3i50 n GLU 182 Ca 0.00 0.40 -0.09 0.00 0.66 0.00 0.00 57.16 58.13 3i50 n GLU 182 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 3i50 n GLU 182 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3i50 h TYR 183 N 0.00 0.06 0.00 4.31 0.05 -1.90 -3.47 116.97 116.01 3i50 h TYR 183 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3i50 h TYR 183 Cb 0.05 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3i50 h TYR 183 CO 0.00 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.59 3i50 n GLY 184 N 1.54 0.40 3.36 3.88 0.00 -0.24 -1.15 105.19 112.99 3i50 n GLY 184 Ca -0.14 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 3i50 n GLY 184 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i50 s GLU 185 N -0.18 1.52 -0.16 1.61 -1.05 -1.18 0.12 118.70 119.38 3i50 s GLU 185 Ca 0.00 -1.64 -0.07 0.00 -0.15 0.00 0.00 54.97 53.11 3i50 s GLU 185 Cb 0.00 0.36 0.07 0.00 -0.44 0.00 0.00 34.13 34.12 3i50 s GLU 185 CO 0.00 -0.57 0.35 0.08 0.95 0.00 0.00 175.26 176.06 3i50 s VAL 186 N -3.78 -0.34 0.45 1.83 1.01 -1.03 -3.05 120.40 115.48 3i50 s VAL 186 Ca 0.34 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 3i50 s VAL 186 Cb 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 3i50 s VAL 186 CO 0.16 0.08 1.01 -0.89 0.00 0.00 0.00 175.10 175.45 3i50 s THR 187 N 2.06 4.00 -0.42 3.92 2.01 -1.23 -2.08 115.64 123.91 3i50 s THR 187 Ca -0.04 1.30 0.04 0.00 0.31 0.00 0.00 61.69 63.30 3i50 s THR 187 Cb -0.11 -3.56 0.17 0.00 0.01 0.00 0.00 72.50 69.01 3i50 s THR 187 CO -0.11 -0.22 0.38 -0.69 -0.69 0.00 0.00 174.62 173.30 3i50 s VAL 188 N -1.99 0.10 0.88 3.82 1.01 -0.85 -1.81 120.40 121.56 3i50 s VAL 188 Ca 0.63 -2.25 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 3i50 s VAL 188 Cb -0.15 -1.04 0.11 0.00 0.00 0.00 0.00 36.38 35.30 3i50 s VAL 188 CO 0.19 -1.02 1.05 0.47 0.00 0.00 0.00 175.10 175.80 3i50 n ASP 189 N 3.05 0.21 -3.73 3.32 8.00 -0.87 -3.39 116.55 123.14 3i50 n ASP 189 Ca 0.26 0.47 -0.09 0.00 0.71 0.00 0.00 54.79 56.13 3i50 n ASP 189 Cb 0.48 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 3i50 n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i50 s GLU 191 N -3.64 0.56 -0.12 0.00 2.56 -0.84 -4.85 118.70 112.37 3i50 s GLU 191 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 54.97 54.49 3i50 s GLU 191 Cb -0.02 -0.69 -0.05 0.00 2.00 0.00 0.00 34.13 35.37 3i50 s GLU 191 CO 0.10 -1.15 2.70 -2.30 -0.56 0.00 0.00 175.26 174.05 3i50 n PRO 192 N 4.54 1.70 -1.13 4.30 -0.02 -1.26 -3.03 135.00 140.10 3i50 n PRO 192 Ca 0.08 -0.97 -0.35 0.00 -2.02 0.00 0.00 63.50 60.24 3i50 n PRO 192 Cb 0.46 -1.63 0.10 0.00 -0.02 0.00 0.00 33.50 32.41 3i50 n PRO 192 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i50 n ARG 193 N 1.57 0.16 0.00 -0.52 1.74 -1.25 -4.90 116.66 113.47 3i50 n ARG 193 Ca 0.28 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3i50 n ARG 193 Cb 0.67 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3i50 n ARG 193 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i50 n SER 194 N -1.50 0.08 -0.00 0.55 3.41 -1.26 -3.24 113.62 111.65 3i50 n SER 194 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.71 3i50 n SER 194 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i50 n SER 194 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i50 n GLY 195 N 2.81 -0.01 3.76 5.00 0.00 0.71 -4.78 105.19 112.68 3i50 n GLY 195 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3i50 n GLY 195 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i50 s ILE 196 N -2.01 2.18 -0.99 -0.61 2.07 -1.26 -4.92 121.20 115.65 3i50 s ILE 196 Ca -0.01 0.15 -0.23 0.00 -1.41 0.00 0.00 60.65 59.15 3i50 s ILE 196 Cb 0.00 -3.09 0.03 0.00 0.13 0.00 0.00 42.46 39.54 3i50 s ILE 196 CO 0.02 0.01 1.52 -1.81 -1.91 0.00 0.00 174.94 172.77 3i50 s ASP 197 N -0.69 6.28 0.49 4.50 1.11 -1.26 -4.99 116.67 122.11 3i50 s ASP 197 Ca 0.64 -1.28 -0.23 0.00 0.18 0.00 0.00 52.55 51.86 3i50 s ASP 197 Cb -0.41 -2.57 -0.08 0.00 1.07 0.00 0.00 42.92 40.93 3i50 s ASP 197 CO 0.52 -1.71 1.15 0.35 1.18 0.00 0.00 175.17 176.66 3i50 n THR 198 N 7.01 3.08 -3.07 -1.27 -2.24 -1.26 -1.59 114.28 114.94 3i50 n THR 198 Ca 0.33 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 3i50 n THR 198 Cb 0.50 -1.39 0.04 0.00 -2.10 0.00 0.00 70.33 67.39 3i50 n THR 198 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i50 n ASN 199 N -0.22 -5.92 0.00 3.42 5.15 -1.26 -4.81 115.26 111.62 3i50 n ASN 199 Ca 0.10 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 3i50 n ASN 199 Cb 0.42 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 34.97 3i50 n ASN 199 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i50 n ALA 200 N -3.71 0.00 -2.40 5.20 0.00 -0.62 -5.11 120.51 113.87 3i50 n ALA 200 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3i50 n ALA 200 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 3i50 n ALA 200 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i50 s TYR 201 N 0.00 1.82 0.06 0.00 1.51 -1.24 -2.09 117.35 117.42 3i50 s TYR 201 Ca 0.00 -0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 55.13 3i50 s TYR 201 Cb 0.00 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 3i50 s TYR 201 CO 0.00 0.01 -0.03 0.71 -1.11 0.00 0.00 175.55 175.13 3i50 s TYR 202 N -3.32 0.57 -0.63 2.71 1.51 -0.98 -4.80 117.35 112.41 3i50 s TYR 202 Ca 0.33 -1.05 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 3i50 s TYR 202 Cb 0.07 -0.41 0.16 0.00 -0.11 0.00 0.00 41.96 41.68 3i50 s TYR 202 CO 0.13 -0.35 0.56 0.08 -1.11 0.00 0.00 175.55 174.86 3i50 s VAL 203 N -3.88 5.05 0.30 0.71 1.01 -0.46 -2.10 120.40 121.03 3i50 s VAL 203 Ca 0.08 -1.98 -0.21 0.00 0.00 0.00 0.00 61.98 59.87 3i50 s VAL 203 Cb 0.08 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3i50 s VAL 203 CO -0.09 -0.91 0.82 -0.32 0.00 0.00 0.00 175.10 174.60 3i50 s MET 204 N 0.96 4.31 -0.40 2.72 1.75 -0.45 -2.44 119.30 125.75 3i50 s MET 204 Ca 0.09 1.01 0.01 0.00 -1.25 0.00 0.00 55.69 55.55 3i50 s MET 204 Cb -0.22 -2.69 0.14 0.00 2.84 0.00 0.00 34.83 34.89 3i50 s MET 204 CO -0.02 0.27 0.22 0.99 -0.65 0.00 0.00 175.02 175.83 3i50 s THR 205 N -1.71 0.89 -0.22 10.11 2.01 -1.20 0.09 115.64 125.61 3i50 s THR 205 Ca 0.49 -2.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.14 3i50 s THR 205 Cb -0.15 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3i50 s THR 205 CO 0.20 -0.92 0.47 -0.69 -0.69 0.00 0.00 174.62 172.99 3i50 s VAL 206 N 0.68 5.13 0.00 3.82 1.01 -0.89 -3.91 120.40 126.23 3i50 s VAL 206 Ca 0.17 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3i50 s VAL 206 Cb -0.24 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3i50 s VAL 206 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3i50 n GLY 207 N 4.11 3.41 0.14 4.51 0.00 -1.26 -2.42 105.19 113.67 3i50 n GLY 207 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3i50 n GLY 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i50 h THR 208 N 0.00 0.78 -3.46 2.61 1.35 -2.02 -3.46 112.91 108.70 3i50 h THR 208 Ca 0.00 -2.44 -0.53 0.00 -0.55 0.00 0.00 66.41 62.89 3i50 h THR 208 Cb 0.00 2.63 0.09 0.00 -1.73 0.00 0.00 68.15 69.14 3i50 h THR 208 CO 0.00 0.87 0.86 0.29 -0.25 0.00 0.00 175.52 177.30 3i50 n LYS 209 N -3.52 2.72 -4.47 4.72 5.02 -1.02 -4.87 118.16 116.75 3i50 n LYS 209 Ca -0.28 0.96 -0.31 0.00 -2.02 0.00 0.00 58.31 56.66 3i50 n LYS 209 Cb 1.06 -2.74 -0.11 0.00 -0.02 0.00 0.00 35.03 33.23 3i50 n LYS 209 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i50 s THR 210 N -0.29 3.42 0.34 -0.18 2.01 -1.22 -2.10 115.64 117.63 3i50 s THR 210 Ca 0.61 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3i50 s THR 210 Cb -0.49 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3i50 s THR 210 CO 0.52 0.33 0.17 -0.36 -0.69 0.00 0.00 174.62 174.59 3i50 s PHE 211 N -1.02 1.70 -0.46 4.92 0.40 0.11 -1.39 117.98 122.24 3i50 s PHE 211 Ca 0.17 -1.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.15 3i50 s PHE 211 Cb -0.11 -0.95 0.13 0.00 0.51 0.00 0.00 43.02 42.60 3i50 s PHE 211 CO 0.08 -0.49 0.22 -1.17 0.70 0.00 0.00 175.22 174.56 3i50 s LEU 212 N -3.46 3.71 0.53 -0.37 2.96 -1.11 -1.34 118.68 119.59 3i50 s LEU 212 Ca 0.33 -2.72 -0.18 0.00 -0.22 0.00 0.00 54.13 51.34 3i50 s LEU 212 Cb 0.04 -1.39 -0.07 0.00 0.50 0.00 0.00 46.19 45.26 3i50 s LEU 212 CO 0.18 -0.27 1.02 0.68 -1.32 0.00 0.00 176.35 176.64 3i50 s VAL 213 N 0.15 4.11 -0.45 1.68 -7.23 -0.89 -4.03 120.40 113.74 3i50 s VAL 213 Ca 0.16 1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 61.22 3i50 s VAL 213 Cb -0.24 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.19 3i50 s VAL 213 CO -0.02 -0.49 0.70 -1.00 -0.31 0.00 0.00 175.10 173.99 3i50 s HIS 214 N -2.38 3.03 0.00 2.82 0.09 -1.26 -2.31 115.29 115.27 3i50 s HIS 214 Ca 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 55.06 55.67 3i50 s HIS 214 Cb -0.13 -3.50 0.00 0.00 -0.00 0.00 0.00 32.58 28.95 3i50 s HIS 214 CO 0.29 -0.95 0.00 -2.13 -0.00 0.00 0.00 174.74 171.95 3i50 n ARG 215 N 6.47 0.00 0.02 1.40 3.00 -0.89 -0.23 116.66 126.44 3i50 n ARG 215 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 3i50 n ARG 215 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.87 3i50 n ARG 215 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3i50 h GLU 216 N 0.00 0.03 -1.36 -0.14 4.81 -1.93 -2.67 114.58 113.31 3i50 h GLU 216 Ca 0.00 -0.00 0.45 0.00 -0.13 0.00 0.00 59.36 59.68 3i50 h GLU 216 Cb 0.00 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.24 3i50 h GLU 216 CO 0.00 0.10 0.88 2.35 -0.73 0.00 0.00 179.01 181.61 3i50 h TRP 217 N -0.04 0.49 0.28 0.92 7.01 -0.99 0.47 115.95 124.09 3i50 h TRP 217 Ca 0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3i50 h TRP 217 Cb 0.08 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3i50 h TRP 217 CO -0.05 -0.22 -0.13 0.35 -2.79 0.00 0.00 178.44 175.59 3i50 h PHE 218 N 0.06 -0.35 0.00 2.65 3.57 -1.48 -3.15 116.94 118.24 3i50 h PHE 218 Ca 0.84 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.33 3i50 h PHE 218 Cb 2.69 0.12 0.00 0.00 2.79 0.00 0.00 35.95 41.55 3i50 h PHE 218 CO -0.01 -0.22 0.00 -1.33 -2.23 0.00 0.00 178.31 174.53 3i50 n MET 219 N -3.31 0.96 0.00 1.11 2.81 -0.10 -2.30 117.12 116.29 3i50 n MET 219 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3i50 n MET 219 Cb 0.15 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3i50 n MET 219 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3i50 n ASP 220 N 1.05 0.53 -4.76 7.83 2.03 -0.03 -5.00 116.55 118.19 3i50 n ASP 220 Ca 0.00 -1.22 -0.40 0.00 0.52 0.00 0.00 54.79 53.69 3i50 n ASP 220 Cb 0.48 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 3i50 n ASP 220 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i50 s LEU 221 N -0.22 4.50 -0.97 -2.67 1.43 -0.97 -4.99 118.68 114.79 3i50 s LEU 221 Ca 0.00 1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 3i50 s LEU 221 Cb 0.00 -3.22 0.13 0.00 0.03 0.00 0.00 46.19 43.14 3i50 s LEU 221 CO 0.00 0.11 1.18 0.21 0.23 0.00 0.00 176.35 178.08 3i50 s ASN 222 N -0.52 6.68 0.11 2.29 2.47 -1.26 -4.94 114.94 119.77 3i50 s ASN 222 Ca 0.37 -2.14 -0.20 0.00 0.42 0.00 0.00 52.86 51.31 3i50 s ASN 222 Cb -0.21 -2.41 0.05 0.00 -1.45 0.00 0.00 41.25 37.23 3i50 s ASN 222 CO 0.24 -1.04 0.50 -0.76 -3.72 0.00 0.00 177.10 172.31 3i50 s LEU 223 N 2.66 -0.04 0.28 3.21 1.43 -1.26 -5.01 118.68 119.93 3i50 s LEU 223 Ca 0.35 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 3i50 s LEU 223 Cb -0.04 2.16 -0.11 0.00 0.03 0.00 0.00 46.19 48.23 3i50 s LEU 223 CO -0.08 -0.85 1.53 -2.84 0.23 0.00 0.00 176.35 174.34 3i50 s PRO 224 N -3.41 4.18 -0.05 1.29 0.02 -1.08 -4.78 135.00 131.17 3i50 s PRO 224 Ca 0.00 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 3i50 s PRO 224 Cb 0.00 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.50 3i50 s PRO 224 CO -0.09 -0.55 0.09 1.67 -0.33 0.00 0.00 177.00 177.79 3i50 s TRP 225 N -0.02 -0.06 0.81 6.54 1.48 -0.72 -0.39 118.94 126.58 3i50 s TRP 225 Ca 0.62 0.33 -0.12 0.00 -1.06 0.00 0.00 56.10 55.87 3i50 s TRP 225 Cb -0.45 -0.22 0.08 0.00 -1.16 0.00 0.00 33.47 31.72 3i50 s TRP 225 CO 0.46 -0.15 1.15 0.45 -4.06 0.00 0.00 176.95 174.80 3i50 s SER 226 N 1.42 4.48 0.00 -2.66 0.15 -0.51 -2.64 113.70 113.94 3i50 s SER 226 Ca -0.06 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3i50 s SER 226 Cb -0.12 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 3i50 s SER 226 CO -0.04 -1.93 0.00 -1.20 1.20 0.00 0.00 173.24 171.26 3i50 n SER 227 N -3.35 0.00 -4.55 5.45 7.64 -1.26 -3.49 113.62 114.05 3i50 n SER 227 Ca 0.08 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 3i50 n SER 227 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 3i50 n SER 227 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i50 s ALA 228 N -2.17 2.70 -1.52 -0.43 0.00 -1.26 -3.81 121.76 115.26 3i50 s ALA 228 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3i50 s ALA 228 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.85 3i50 s ALA 228 CO 0.00 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 172.82 3i50 n GLY 229 N 5.44 1.37 3.82 0.00 0.00 -1.26 -4.92 105.19 109.63 3i50 n GLY 229 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3i50 n GLY 229 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i50 s SER 230 N -2.33 5.83 -0.09 1.61 0.15 -1.25 -4.97 113.70 112.65 3i50 s SER 230 Ca 0.00 1.68 0.13 0.00 0.70 0.00 0.00 55.95 58.46 3i50 s SER 230 Cb 0.00 -2.51 0.36 0.00 -1.71 0.00 0.00 66.02 62.16 3i50 s SER 230 CO 0.00 -1.14 1.28 0.35 1.20 0.00 0.00 173.24 174.94 3i50 n THR 231 N -2.36 1.66 -3.85 6.45 -2.24 -1.26 -4.61 114.28 108.07 3i50 n THR 231 Ca 0.08 -1.53 -0.35 0.00 -2.27 0.00 0.00 64.05 59.98 3i50 n THR 231 Cb 0.53 0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 3i50 n THR 231 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i50 s VAL 232 N -2.01 3.00 -0.01 2.28 1.01 -1.26 -5.07 120.40 118.35 3i50 s VAL 232 Ca 0.30 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 3i50 s VAL 232 Cb 0.22 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3i50 s VAL 232 CO 0.09 -0.61 1.17 0.26 0.00 0.00 0.00 175.10 176.01 3i50 s TRP 233 N 1.09 3.34 0.35 5.22 0.52 -1.26 -4.40 118.94 123.81 3i50 s TRP 233 Ca 0.08 1.31 0.08 0.00 0.02 0.00 0.00 56.10 57.59 3i50 s TRP 233 Cb -0.22 -3.38 -0.05 0.00 -1.15 0.00 0.00 33.47 28.68 3i50 s TRP 233 CO -0.05 -1.12 0.12 1.03 0.02 0.00 0.00 176.95 176.94 3i50 s ARG 234 N 1.64 2.28 -1.19 4.98 0.52 -1.08 -4.74 118.95 121.36 3i50 s ARG 234 Ca 0.56 -1.64 -0.14 0.00 -0.52 0.00 0.00 55.73 53.99 3i50 s ARG 234 Cb -0.26 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3i50 s ARG 234 CO 0.25 0.08 0.75 -1.71 0.02 0.00 0.00 175.30 174.69 3i50 n ASN 235 N -1.12 -4.26 0.03 0.23 5.15 -1.26 -1.75 115.26 112.28 3i50 n ASN 235 Ca -0.03 -0.96 -0.22 0.00 -0.60 0.00 0.00 54.58 52.77 3i50 n ASN 235 Cb 0.62 -3.58 -0.14 0.00 -0.53 0.00 0.00 39.78 36.15 3i50 n ASN 235 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3i50 h ARG 236 N -1.82 0.30 -1.50 1.20 3.08 -1.90 -2.86 114.38 110.88 3i50 h ARG 236 Ca -0.65 -0.50 0.49 0.00 0.07 0.00 0.00 59.98 59.39 3i50 h ARG 236 Cb 1.36 0.19 -0.12 0.00 0.08 0.00 0.00 29.97 31.48 3i50 h ARG 236 CO 0.51 1.24 1.00 -1.91 -1.07 0.00 0.00 179.97 179.74 3i50 n GLU 237 N -3.77 -0.03 -0.42 0.04 0.00 -1.26 -1.01 120.64 114.19 3i50 n GLU 237 Ca -0.26 1.17 0.40 0.00 0.00 0.00 0.00 57.16 58.47 3i50 n GLU 237 Cb 0.97 -2.40 0.70 0.00 0.00 0.00 0.00 31.44 30.71 3i50 n GLU 237 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3i50 h THR 238 N 0.00 0.12 -0.13 6.31 1.35 -1.96 -1.19 112.91 117.42 3i50 h THR 238 Ca 0.87 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.73 3i50 h THR 238 Cb 3.00 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3i50 h THR 238 CO -0.33 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.12 3i50 n LEU 239 N -3.78 2.21 -3.94 3.87 4.77 -0.18 -4.96 117.00 114.99 3i50 n LEU 239 Ca 0.32 -1.40 -0.21 0.00 -0.03 0.00 0.00 56.01 54.69 3i50 n LEU 239 Cb 1.60 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 42.45 3i50 n LEU 239 CO 0.37 0.49 -0.42 0.00 -1.33 0.00 0.00 177.39 176.49 3i50 s MET 240 N -0.89 1.02 -0.38 3.23 0.23 -0.45 0.11 119.30 122.16 3i50 s MET 240 Ca 0.15 -0.20 -0.19 0.00 -1.03 0.00 0.00 55.69 54.42 3i50 s MET 240 Cb 0.09 -0.95 0.01 0.00 -1.53 0.00 0.00 34.83 32.45 3i50 s MET 240 CO 0.13 -0.02 0.53 -2.00 -2.03 0.00 0.00 175.02 171.63 3i50 s GLU 241 N 0.72 3.44 -0.68 3.16 2.56 0.58 -4.92 118.70 123.56 3i50 s GLU 241 Ca -0.11 -0.32 -0.27 0.00 0.00 0.00 0.00 54.97 54.27 3i50 s GLU 241 Cb -0.14 -3.87 0.02 0.00 2.00 0.00 0.00 34.13 32.14 3i50 s GLU 241 CO 0.01 -0.77 1.38 -0.06 -0.56 0.00 0.00 175.26 175.26 3i50 s PHE 242 N 2.45 2.22 0.98 5.30 0.40 -1.26 -2.00 117.98 126.06 3i50 s PHE 242 Ca 0.18 0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.56 3i50 s PHE 242 Cb -0.15 -4.50 0.18 0.00 0.51 0.00 0.00 43.02 39.05 3i50 s PHE 242 CO 0.15 -2.06 1.20 -1.21 0.70 0.00 0.00 175.22 174.00 3i50 s GLU 243 N 5.83 0.59 -0.01 0.44 2.02 -0.24 -4.92 118.70 122.42 3i50 s GLU 243 Ca 0.43 -0.03 -0.39 0.00 0.02 0.00 0.00 54.97 55.01 3i50 s GLU 243 Cb -0.09 -1.80 -0.18 0.00 0.10 0.00 0.00 34.13 32.16 3i50 s GLU 243 CO 0.18 -2.51 1.31 0.39 0.02 0.00 0.00 175.26 174.65 3i50 n GLU 244 N -3.92 0.72 -0.51 1.61 -0.58 -1.26 -4.67 120.64 112.03 3i50 n GLU 244 Ca 0.11 0.26 -0.29 0.00 -0.42 0.00 0.00 57.16 56.82 3i50 n GLU 244 Cb 0.60 -1.86 0.22 0.00 -0.57 0.00 0.00 31.44 29.83 3i50 n GLU 244 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3i50 n PRO 245 N 2.55 -2.58 -3.15 3.49 -0.02 -1.26 -4.44 135.00 129.58 3i50 n PRO 245 Ca 0.20 -0.74 0.05 0.00 -2.02 0.00 0.00 63.50 60.99 3i50 n PRO 245 Cb 0.14 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3i50 n PRO 245 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i50 s HIS 246 N -2.24 -0.60 0.00 6.00 2.46 -1.15 -4.98 115.29 114.77 3i50 s HIS 246 Ca 0.59 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.60 3i50 s HIS 246 Cb -0.16 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 3i50 s HIS 246 CO 0.60 -0.34 0.00 0.00 -2.47 0.00 0.00 174.74 172.53 3i50 n ALA 247 N 5.30 0.00 -1.00 1.58 0.00 -1.26 -1.19 120.51 123.94 3i50 n ALA 247 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i50 n ALA 247 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3i50 n ALA 247 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i50 n THR 248 N -3.56 0.00 -3.83 0.00 5.66 -1.26 -4.94 114.28 106.35 3i50 n THR 248 Ca 0.00 0.98 0.00 0.00 -3.05 0.00 0.00 64.05 61.98 3i50 n THR 248 Cb 0.00 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 66.81 3i50 n THR 248 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3i50 n LYS 249 N -0.50 1.46 -3.64 1.09 2.85 -0.33 -4.89 118.16 114.20 3i50 n LYS 249 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3i50 n LYS 249 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 3i50 n LYS 249 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3i50 s GLN 250 N -1.50 0.19 0.30 -1.58 0.74 -1.26 -2.95 119.66 113.59 3i50 s GLN 250 Ca 0.00 0.75 -0.29 0.00 0.05 0.00 0.00 55.36 55.87 3i50 s GLN 250 Cb 0.00 -0.08 -0.10 0.00 1.10 0.00 0.00 33.01 33.93 3i50 s GLN 250 CO 0.00 -0.32 1.37 0.45 -0.55 0.00 0.00 175.29 176.24 3i50 s SER 251 N 2.45 6.70 -0.04 6.67 0.15 -1.26 -4.89 113.70 123.48 3i50 s SER 251 Ca 0.02 2.69 0.01 0.00 0.70 0.00 0.00 55.95 59.37 3i50 s SER 251 Cb -0.12 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3i50 s SER 251 CO -0.10 -0.62 -0.03 -0.69 1.20 0.00 0.00 173.24 173.00 3i50 s VAL 252 N -0.64 0.42 0.43 4.45 1.01 -1.26 -1.08 120.40 123.72 3i50 s VAL 252 Ca 0.54 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.53 3i50 s VAL 252 Cb -0.41 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 3i50 s VAL 252 CO 0.49 0.20 0.01 0.27 0.00 0.00 0.00 175.10 176.08 3i50 s ILE 253 N 1.03 1.73 -0.01 2.22 -4.36 -0.85 -4.96 121.20 116.00 3i50 s ILE 253 Ca -0.09 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.34 3i50 s ILE 253 Cb -0.14 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 3i50 s ILE 253 CO -0.01 0.00 -0.14 0.00 0.24 0.00 0.00 174.94 175.03 3i50 s ALA 254 N -2.80 2.69 0.54 2.27 0.00 -1.26 -0.31 121.76 122.89 3i50 s ALA 254 Ca 0.28 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 3i50 s ALA 254 Cb 0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 3i50 s ALA 254 CO 0.14 0.57 1.12 -0.51 0.00 0.00 0.00 175.76 177.08 3i50 s LEU 255 N -1.09 3.74 0.00 0.00 1.43 0.29 -4.91 118.68 118.14 3i50 s LEU 255 Ca 0.13 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3i50 s LEU 255 Cb -0.11 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 41.71 3i50 s LEU 255 CO 0.03 -1.19 0.39 0.61 0.23 0.00 0.00 176.35 176.43 3i50 n GLY 256 N 0.05 -3.32 3.75 -3.19 0.00 -1.26 -4.65 105.19 96.56 3i50 n GLY 256 Ca 0.11 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 3i50 n GLY 256 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i50 s SER 257 N -2.35 5.10 -0.02 1.61 0.15 -1.26 -4.79 113.70 112.14 3i50 s SER 257 Ca 0.30 2.51 0.19 0.00 0.70 0.00 0.00 55.95 59.65 3i50 s SER 257 Cb -0.05 -2.61 -0.28 0.00 -1.71 0.00 0.00 66.02 61.37 3i50 s SER 257 CO 0.25 -1.66 0.46 0.00 1.20 0.00 0.00 173.24 173.49 3i50 n GLN 258 N -1.51 0.63 -0.25 5.44 1.13 -0.71 -4.54 117.38 117.57 3i50 n GLN 258 Ca 0.13 -0.15 -0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3i50 n GLN 258 Cb 0.48 -1.43 0.03 0.00 0.11 0.00 0.00 30.24 29.44 3i50 n GLN 258 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3i50 n GLU 259 N -2.05 -0.14 0.00 -1.09 2.13 -1.26 0.79 120.64 119.02 3i50 n GLU 259 Ca -0.02 0.99 -0.00 0.00 0.66 0.00 0.00 57.16 58.78 3i50 n GLU 259 Cb 0.46 -1.47 -0.00 0.00 0.27 0.00 0.00 31.44 30.70 3i50 n GLU 259 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3i50 h GLY 260 N 0.00 -0.85 -0.22 8.31 0.00 -1.98 0.14 103.07 108.47 3i50 h GLY 260 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3i50 h GLY 260 CO -0.64 -0.32 0.00 0.00 0.00 0.00 0.00 176.54 175.58 3i50 n ALA 261 N -2.31 1.84 -0.06 3.60 0.00 0.25 -1.40 120.51 122.43 3i50 n ALA 261 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3i50 n ALA 261 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 3i50 n ALA 261 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i50 n LEU 262 N -0.32 1.78 -0.15 0.00 7.94 0.24 -4.18 117.00 122.30 3i50 n LEU 262 Ca 0.00 -0.04 -0.11 0.00 -1.11 0.00 0.00 56.01 54.75 3i50 n LEU 262 Cb 0.02 -0.17 -0.01 0.00 0.53 0.00 0.00 43.42 43.79 3i50 n LEU 262 CO 0.00 0.54 0.73 0.45 -1.11 0.00 0.00 177.39 177.99 3i50 h HIS 263 N 0.00 0.96 -0.36 1.96 3.86 0.48 -2.97 115.15 119.08 3i50 h HIS 263 Ca -0.29 -0.20 0.05 0.00 -1.16 0.00 0.00 60.37 58.77 3i50 h HIS 263 Cb 1.54 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.72 3i50 h HIS 263 CO 0.01 0.95 0.08 0.37 0.86 0.00 0.00 177.93 180.20 3i50 h GLN 264 N 0.69 0.20 -0.91 2.45 -0.00 -1.53 -1.30 115.11 114.70 3i50 h GLN 264 Ca 0.11 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.65 58.51 3i50 h GLN 264 Cb 0.64 -0.04 -0.15 0.00 0.00 0.00 0.00 27.48 27.93 3i50 h GLN 264 CO 0.04 0.13 0.31 0.00 0.00 0.00 0.00 178.83 179.31 3i50 n ALA 265 N -2.40 4.26 -2.89 3.38 0.00 -1.24 -4.43 120.51 117.19 3i50 n ALA 265 Ca 0.01 -1.77 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 3i50 n ALA 265 Cb 0.16 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.38 3i50 n ALA 265 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i50 n LEU 266 N -0.30 -2.07 0.00 0.00 7.94 -0.49 -4.91 117.00 117.17 3i50 n LEU 266 Ca 0.34 -3.67 0.00 0.00 -1.11 0.00 0.00 56.01 51.57 3i50 n LEU 266 Cb 1.18 0.77 0.00 0.00 0.53 0.00 0.00 43.42 45.90 3i50 n LEU 266 CO 0.36 2.01 -0.13 0.00 -1.11 0.00 0.00 177.39 178.51 3i50 n ALA 267 N 1.76 0.87 0.25 1.96 0.00 -1.23 -4.72 120.51 119.40 3i50 n ALA 267 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3i50 n ALA 267 Cb 0.59 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.41 3i50 n ALA 267 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i50 h GLY 268 N 0.00 0.00 -0.93 0.00 0.00 -1.92 -3.45 103.07 96.77 3i50 h GLY 268 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3i50 h GLY 268 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 176.54 176.75 3i50 s ALA 269 N -3.38 1.12 -0.47 3.60 0.00 -1.26 -4.96 121.76 116.40 3i50 s ALA 269 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 3i50 s ALA 269 Cb 0.07 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.09 3i50 s ALA 269 CO 0.62 -2.71 1.03 0.42 0.00 0.00 0.00 175.76 175.12 3i50 s ILE 270 N -2.97 4.33 0.08 0.00 -1.09 -1.26 -4.81 121.20 115.48 3i50 s ILE 270 Ca 0.65 0.98 -0.31 0.00 -2.23 0.00 0.00 60.65 59.75 3i50 s ILE 270 Cb -0.18 -4.52 -0.09 0.00 -1.58 0.00 0.00 42.46 36.09 3i50 s ILE 270 CO 0.57 -0.93 1.75 -2.84 -1.23 0.00 0.00 174.94 172.27 3i50 s PRO 271 N 4.12 4.17 0.18 2.79 0.02 -1.26 -2.76 135.00 142.24 3i50 s PRO 271 Ca 0.43 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3i50 s PRO 271 Cb -0.09 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 3i50 s PRO 271 CO 0.29 -0.81 0.07 0.08 -0.33 0.00 0.00 177.00 176.30 3i50 s VAL 272 N 2.97 0.29 -0.22 3.83 1.01 -0.49 -5.01 120.40 122.78 3i50 s VAL 272 Ca 0.78 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3i50 s VAL 272 Cb -0.42 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3i50 s VAL 272 CO 0.35 -0.30 -0.02 -1.83 0.00 0.00 0.00 175.10 173.30 3i50 s GLU 273 N -4.04 3.44 -0.34 2.72 -1.05 -1.26 -3.39 118.70 114.77 3i50 s GLU 273 Ca 0.29 -0.59 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 3i50 s GLU 273 Cb 0.07 -3.07 0.16 0.00 -0.44 0.00 0.00 34.13 30.85 3i50 s GLU 273 CO 0.06 -0.18 2.26 0.34 0.95 0.00 0.00 175.26 178.69 3i50 n PHE 274 N 4.79 1.50 -1.56 4.83 7.35 -1.26 -3.90 117.46 129.21 3i50 n PHE 274 Ca -0.18 -1.94 -0.42 0.00 -0.76 0.00 0.00 57.45 54.15 3i50 n PHE 274 Cb 0.51 -1.08 -0.04 0.00 0.35 0.00 0.00 39.48 39.21 3i50 n PHE 274 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3i50 n SER 275 N 0.56 2.67 -3.22 -2.13 3.41 -1.20 -3.57 113.62 110.13 3i50 n SER 275 Ca 0.35 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 3i50 n SER 275 Cb 0.58 -1.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.08 3i50 n SER 275 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i50 n SER 276 N 12.78 -6.93 -1.81 4.04 3.41 -1.26 -3.15 113.62 120.70 3i50 n SER 276 Ca 0.35 -0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 58.23 3i50 n SER 276 Cb 0.43 -5.11 -0.07 0.00 -0.26 0.00 0.00 64.21 59.20 3i50 n SER 276 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i50 n ASN 277 N -2.73 -5.51 -4.19 4.04 5.15 -1.23 -4.95 115.26 105.84 3i50 n ASN 277 Ca -0.05 0.37 -0.12 0.00 -0.60 0.00 0.00 54.58 54.18 3i50 n ASN 277 Cb 0.58 -4.79 -0.10 0.00 -0.53 0.00 0.00 39.78 34.94 3i50 n ASN 277 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3i50 s THR 278 N -2.81 0.15 -0.06 -0.44 -4.23 -1.19 -3.53 115.64 103.54 3i50 s THR 278 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3i50 s THR 278 Cb 0.00 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.59 3i50 s THR 278 CO 0.00 -0.25 0.02 -0.69 -0.54 0.00 0.00 174.62 173.16 3i50 s VAL 279 N -4.03 0.23 -0.03 2.29 1.01 -1.17 -3.27 120.40 115.44 3i50 s VAL 279 Ca 0.31 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3i50 s VAL 279 Cb 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3i50 s VAL 279 CO 0.07 0.23 0.85 -0.54 0.00 0.00 0.00 175.10 175.71 3i50 s LYS 280 N 1.91 4.50 0.00 2.72 1.02 -1.25 -2.10 119.74 126.53 3i50 s LYS 280 Ca 0.03 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.19 3i50 s LYS 280 Cb -0.12 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 3i50 s LYS 280 CO -0.04 -0.01 0.00 1.28 -0.92 0.00 0.00 175.35 175.66 3i50 n LEU 281 N 3.88 0.00 0.00 3.17 4.32 -1.22 -4.72 117.00 122.43 3i50 n LEU 281 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 3i50 n LEU 281 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3i50 n LEU 281 CO 0.50 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 177.08 3i50 n THR 282 N 0.00 0.00 -1.96 -5.08 -1.04 -1.26 -4.82 114.28 100.11 3i50 n THR 282 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3i50 n THR 282 Cb 0.00 -0.15 -0.07 0.00 -1.82 0.00 0.00 70.33 68.29 3i50 n THR 282 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i50 n SER 283 N -1.97 2.77 -3.98 8.00 3.41 -1.26 -4.44 113.62 116.15 3i50 n SER 283 Ca 0.00 -2.66 -0.09 0.00 -0.26 0.00 0.00 58.87 55.85 3i50 n SER 283 Cb 0.00 -1.73 -0.06 0.00 -0.26 0.00 0.00 64.21 62.17 3i50 n SER 283 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3i50 s GLY 284 N 6.79 0.53 0.00 5.00 0.00 -1.26 -0.21 107.32 118.17 3i50 s GLY 284 Ca 0.70 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3i50 s GLY 284 CO 0.15 -0.67 0.00 -2.39 0.00 0.00 0.00 173.10 170.18 3i50 n HIS 285 N -0.35 0.00 -4.90 1.90 1.44 -1.20 -3.38 115.22 108.73 3i50 n HIS 285 Ca -0.03 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.42 3i50 n HIS 285 Cb 0.62 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.58 3i50 n HIS 285 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3i50 s LEU 286 N 0.00 1.99 -0.38 2.39 1.02 -1.17 -3.74 118.68 118.80 3i50 s LEU 286 Ca 0.00 -0.35 -0.13 0.00 0.02 0.00 0.00 54.13 53.67 3i50 s LEU 286 Cb 0.00 -0.99 0.02 0.00 0.02 0.00 0.00 46.19 45.24 3i50 s LEU 286 CO 0.00 0.20 0.24 -0.54 0.02 0.00 0.00 176.35 176.27 3i50 s LYS 287 N -0.24 2.99 -0.01 1.70 3.01 -1.17 -1.25 119.74 124.77 3i50 s LYS 287 Ca 0.02 -0.99 0.08 0.00 -1.01 0.00 0.00 55.97 54.08 3i50 s LYS 287 Cb -0.09 -3.82 -0.02 0.00 -1.01 0.00 0.00 37.83 32.89 3i50 s LYS 287 CO 0.01 -0.67 -0.25 0.00 0.51 0.00 0.00 175.35 174.95 3i50 s ARG 289 N -0.69 3.68 -0.52 0.00 6.06 -0.99 -0.19 118.95 126.31 3i50 s ARG 289 Ca 0.10 -0.13 -0.18 0.00 -2.50 0.00 0.00 55.73 53.02 3i50 s ARG 289 Cb -0.10 -3.78 0.08 0.00 0.06 0.00 0.00 34.95 31.21 3i50 s ARG 289 CO -0.00 -0.58 0.57 0.08 -2.50 0.00 0.00 175.30 172.86 3i50 s VAL 290 N 2.33 5.00 -1.21 7.11 1.01 0.11 -2.05 120.40 132.69 3i50 s VAL 290 Ca 0.18 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3i50 s VAL 290 Cb -0.16 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.99 3i50 s VAL 290 CO 0.12 -0.82 1.65 -0.54 0.00 0.00 0.00 175.10 175.51 3i50 s LYS 291 N 2.26 3.87 0.13 2.72 1.02 -0.75 -2.24 119.74 126.75 3i50 s LYS 291 Ca 0.10 -1.74 0.20 0.00 0.02 0.00 0.00 55.97 54.54 3i50 s LYS 291 Cb -0.23 -5.48 0.82 0.00 -0.52 0.00 0.00 37.83 32.43 3i50 s LYS 291 CO 0.08 -2.24 1.61 -1.33 -0.92 0.00 0.00 175.35 172.56 3i50 n MET 292 N 8.50 0.10 -0.38 1.68 2.81 -1.16 -3.49 117.12 125.18 3i50 n MET 292 Ca 0.44 0.32 -0.03 0.00 -1.81 0.00 0.00 57.70 56.62 3i50 n MET 292 Cb 0.47 -1.69 0.01 0.00 -0.71 0.00 0.00 33.22 31.31 3i50 n MET 292 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i50 h GLU 293 N 0.00 -0.01 0.00 0.03 4.81 -1.81 0.16 114.58 117.75 3i50 h GLU 293 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i50 h GLU 293 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3i50 h GLU 293 CO 0.00 -0.01 0.00 1.63 -0.73 0.00 0.00 179.01 179.90 3i50 n LYS 294 N -5.43 0.13 -2.76 1.92 4.76 -1.25 -4.73 118.16 110.79 3i50 n LYS 294 Ca 0.08 0.16 -0.39 0.00 -2.87 0.00 0.00 58.31 55.30 3i50 n LYS 294 Cb 0.37 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.00 3i50 n LYS 294 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3i50 s LEU 295 N -2.41 4.52 -0.01 -0.35 2.96 0.55 -3.08 118.68 120.86 3i50 s LEU 295 Ca 0.08 1.90 -0.22 0.00 -0.22 0.00 0.00 54.13 55.67 3i50 s LEU 295 Cb 0.05 -3.78 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 3i50 s LEU 295 CO 0.10 0.06 0.64 -1.58 -1.32 0.00 0.00 176.35 174.25 3i50 s GLN 296 N -1.55 4.37 0.00 1.98 0.74 -0.30 -4.96 119.66 119.95 3i50 s GLN 296 Ca 0.45 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.66 3i50 s GLN 296 Cb -0.23 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.51 3i50 s GLN 296 CO 0.29 0.30 0.39 1.28 -0.55 0.00 0.00 175.29 176.99