#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lek s PRO 2 N 0.00 3.09 0.08 1.61 0.04 -1.26 -3.66 135.00 134.90 1lek s PRO 2 Ca 0.00 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1lek s PRO 2 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1lek s PRO 2 CO 0.00 -1.00 -0.06 -1.01 0.04 0.00 0.00 177.00 174.97 1lek s HIS 3 N -2.47 0.79 0.06 0.56 3.76 -0.31 -4.96 115.29 112.72 1lek s HIS 3 Ca 0.64 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1lek s HIS 3 Cb -0.17 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 1lek s HIS 3 CO 0.40 -0.17 -0.07 -1.54 -0.85 0.00 0.00 174.74 172.51 1lek s SER 4 N -2.76 0.85 -0.17 1.40 1.04 -1.26 -0.90 113.70 111.91 1lek s SER 4 Ca 0.07 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1lek s SER 4 Cb 0.03 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1lek s SER 4 CO -0.05 -0.31 -0.20 -0.22 0.98 0.00 0.00 173.24 173.45 1lek s LEU 5 N -2.05 2.07 -0.00 2.42 2.96 -0.40 -0.23 118.68 123.45 1lek s LEU 5 Ca -0.04 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1lek s LEU 5 Cb -0.05 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 1lek s LEU 5 CO -0.02 0.01 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.86 1lek s ARG 6 N 1.20 0.31 -0.11 1.98 0.52 0.01 -1.81 118.95 121.04 1lek s ARG 6 Ca 0.02 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1lek s ARG 6 Cb -0.14 -0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.06 1lek s ARG 6 CO -0.10 0.08 -0.20 0.71 0.02 0.00 0.00 175.30 175.81 1lek s TYR 7 N -0.16 2.30 -0.27 -0.53 2.02 0.21 0.10 117.35 121.02 1lek s TYR 7 Ca 0.01 -1.03 -0.07 0.00 -0.37 0.00 0.00 57.07 55.60 1lek s TYR 7 Cb -0.02 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1lek s TYR 7 CO -0.00 -0.47 0.07 -0.06 -1.57 0.00 0.00 175.55 173.52 1lek s PHE 8 N 0.67 3.10 -0.10 2.71 0.40 0.17 -1.80 117.98 123.14 1lek s PHE 8 Ca -0.12 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1lek s PHE 8 Cb -0.16 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 1lek s PHE 8 CO 0.03 -0.45 -0.17 0.08 0.70 0.00 0.00 175.22 175.40 1lek s VAL 9 N 1.57 2.70 -0.04 -0.44 1.01 -0.11 -1.51 120.40 123.58 1lek s VAL 9 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1lek s VAL 9 Cb -0.16 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1lek s VAL 9 CO 0.03 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.72 1lek s THR 10 N 0.04 0.67 -0.09 3.92 2.01 -0.55 -1.18 115.64 120.46 1lek s THR 10 Ca -0.07 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1lek s THR 10 Cb -0.15 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1lek s THR 10 CO 0.05 0.24 -0.08 0.00 -0.69 0.00 0.00 174.62 174.13 1lek s ALA 11 N 0.54 1.22 -0.12 7.40 0.00 -0.61 -1.21 121.76 128.98 1lek s ALA 11 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1lek s ALA 11 Cb -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1lek s ALA 11 CO 0.01 -0.24 -0.10 0.08 0.00 0.00 0.00 175.76 175.50 1lek s VAL 12 N 1.38 1.21 0.58 0.00 1.01 -0.61 -1.09 120.40 122.88 1lek s VAL 12 Ca -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1lek s VAL 12 Cb -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1lek s VAL 12 CO -0.04 0.40 1.02 -0.94 0.00 0.00 0.00 175.10 175.53 1lek s SER 13 N 1.52 6.26 -0.46 3.32 1.04 -0.64 -0.94 113.70 123.80 1lek s SER 13 Ca 0.03 1.54 0.06 0.00 0.48 0.00 0.00 55.95 58.06 1lek s SER 13 Cb -0.13 -2.49 0.21 0.00 0.10 0.00 0.00 66.02 63.71 1lek s SER 13 CO -0.08 -0.84 0.62 -2.11 0.98 0.00 0.00 173.24 171.81 1lek n ARG 14 N -2.25 0.54 -1.54 4.02 1.85 -1.26 -4.14 116.66 113.87 1lek n ARG 14 Ca 0.07 -2.52 -0.51 0.00 -1.00 0.00 0.00 57.85 53.88 1lek n ARG 14 Cb 0.54 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 30.43 1lek n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1lek n PRO 15 N 2.28 0.79 -0.13 2.89 -0.02 -1.26 -1.07 135.00 138.48 1lek n PRO 15 Ca 0.20 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1lek n PRO 15 Cb 0.55 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1lek n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lek n GLY 16 N 1.95 2.44 0.27 -1.23 0.00 -1.26 -4.81 105.19 102.55 1lek n GLY 16 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1lek n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lek n LEU 17 N 0.00 2.44 0.00 0.99 4.77 -0.24 -5.11 117.00 119.86 1lek n LEU 17 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1lek n LEU 17 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1lek n LEU 17 CO 0.00 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1lek n GLY 18 N -0.27 -1.51 3.76 -0.72 0.00 -1.24 -5.02 105.19 100.19 1lek n GLY 18 Ca 0.07 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1lek n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lek s GLU 19 N 0.00 2.28 0.67 1.61 2.02 -1.26 -4.52 118.70 119.50 1lek s GLU 19 Ca 0.00 1.28 -0.17 0.00 0.02 0.00 0.00 54.97 56.10 1lek s GLU 19 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1lek s GLU 19 CO 0.00 -1.64 1.28 -2.14 0.02 0.00 0.00 175.26 172.78 1lek s PRO 20 N -4.64 2.42 0.02 0.39 0.02 -1.26 -4.69 135.00 127.27 1lek s PRO 20 Ca 0.64 2.02 -0.22 0.00 0.02 0.00 0.00 61.00 63.45 1lek s PRO 20 Cb -0.19 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1lek s PRO 20 CO 0.52 -1.69 0.66 0.50 -0.33 0.00 0.00 177.00 176.66 1lek s ARG 21 N -3.49 4.39 -0.09 5.54 3.52 -0.12 -4.88 118.95 123.82 1lek s ARG 21 Ca 0.81 0.87 0.03 0.00 -0.13 0.00 0.00 55.73 57.31 1lek s ARG 21 Cb -0.36 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1lek s ARG 21 CO 0.41 0.36 -0.19 -0.47 -0.81 0.00 0.00 175.30 174.59 1lek s TYR 22 N -0.22 2.13 0.02 5.12 5.04 -1.26 -1.57 117.35 126.62 1lek s TYR 22 Ca 0.34 -0.84 0.02 0.00 -2.44 0.00 0.00 57.07 54.14 1lek s TYR 22 Cb -0.19 -1.46 -0.02 0.00 0.35 0.00 0.00 41.96 40.64 1lek s TYR 22 CO 0.20 -0.36 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.34 1lek s MET 23 N 0.45 0.49 -0.05 4.97 -1.94 -0.35 -0.84 119.30 122.04 1lek s MET 23 Ca -0.17 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1lek s MET 23 Cb -0.17 -0.36 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1lek s MET 23 CO 0.07 0.08 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.92 1lek s GLU 24 N -0.93 0.67 -0.07 2.03 2.02 0.10 -1.49 118.70 121.03 1lek s GLU 24 Ca -0.05 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 54.93 1lek s GLU 24 Cb -0.06 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.40 1lek s GLU 24 CO 0.00 -0.14 -0.08 0.08 0.02 0.00 0.00 175.26 175.14 1lek s VAL 25 N 1.15 0.88 0.02 2.63 1.01 -0.57 -0.57 120.40 124.95 1lek s VAL 25 Ca -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1lek s VAL 25 Cb -0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1lek s VAL 25 CO -0.01 0.31 -0.02 -0.83 0.00 0.00 0.00 175.10 174.55 1lek s GLY 26 N 1.03 1.85 0.01 4.51 0.00 -0.58 -0.65 107.32 113.49 1lek s GLY 26 Ca -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1lek s GLY 26 CO -0.00 -0.89 -0.11 -0.19 0.00 0.00 0.00 173.10 171.91 1lek s TYR 27 N -1.11 0.93 -0.32 1.90 1.51 0.12 -1.23 117.35 119.15 1lek s TYR 27 Ca 0.20 -0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1lek s TYR 27 Cb -0.11 -0.58 0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1lek s TYR 27 CO 0.11 -0.01 0.05 0.08 -1.11 0.00 0.00 175.55 174.67 1lek s VAL 28 N -0.55 3.34 0.00 0.71 1.01 -0.33 -0.81 120.40 123.77 1lek s VAL 28 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1lek s VAL 28 Cb -0.06 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1lek s VAL 28 CO 0.00 -0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.41 1lek n ASP 29 N 4.70 0.00 -1.33 3.32 8.00 0.69 -1.59 116.55 130.34 1lek n ASP 29 Ca -0.12 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.44 1lek n ASP 29 Cb 0.44 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.82 1lek n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lek n ASP 30 N 4.21 3.90 -4.38 -2.24 8.00 -1.26 -4.88 116.55 119.90 1lek n ASP 30 Ca 0.00 -2.42 -0.36 0.00 0.71 0.00 0.00 54.79 52.72 1lek n ASP 30 Cb 0.00 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.44 1lek n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1lek s THR 31 N -1.89 3.89 0.23 -3.53 2.01 -0.62 -5.03 115.64 110.70 1lek s THR 31 Ca 0.39 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1lek s THR 31 Cb 0.26 -2.82 -0.10 0.00 0.01 0.00 0.00 72.50 69.85 1lek s THR 31 CO 0.17 0.34 1.38 -0.70 -0.69 0.00 0.00 174.62 175.12 1lek s GLU 32 N 1.55 4.32 0.00 4.92 2.12 -1.26 -1.18 118.70 129.17 1lek s GLU 32 Ca 0.06 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1lek s GLU 32 Cb -0.15 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1lek s GLU 32 CO 0.01 -0.34 0.00 1.97 -0.54 0.00 0.00 175.26 176.36 1lek n PHE 33 N 2.35 0.00 -3.96 5.30 -1.74 -0.36 -4.01 117.46 115.03 1lek n PHE 33 Ca 0.06 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.86 1lek n PHE 33 Cb 0.41 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 1lek n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1lek s VAL 34 N -0.52 0.16 -0.13 1.97 -7.23 -1.22 -0.36 120.40 113.07 1lek s VAL 34 Ca 0.00 -1.30 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 1lek s VAL 34 Cb 0.00 -1.13 0.07 0.00 0.56 0.00 0.00 36.38 35.87 1lek s VAL 34 CO 0.00 -0.72 0.68 -0.60 -0.31 0.00 0.00 175.10 174.15 1lek s ARG 35 N -3.18 0.95 -0.03 4.82 3.52 -0.67 -1.52 118.95 122.85 1lek s ARG 35 Ca -0.00 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.14 1lek s ARG 35 Cb 0.02 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 1lek s ARG 35 CO -0.07 -0.23 -0.01 0.12 -0.81 0.00 0.00 175.30 174.30 1lek s PHE 36 N -0.57 0.36 -0.14 5.12 5.36 0.27 -0.75 117.98 127.63 1lek s PHE 36 Ca -0.07 -0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1lek s PHE 36 Cb -0.02 -0.41 0.05 0.00 -0.34 0.00 0.00 43.02 42.30 1lek s PHE 36 CO 0.06 -0.12 0.05 0.34 -1.46 0.00 0.00 175.22 174.09 1lek s ASP 37 N 0.89 2.20 0.41 6.13 -1.08 -1.26 -0.72 116.67 123.24 1lek s ASP 37 Ca -0.09 -0.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 1lek s ASP 37 Cb -0.13 -0.38 1.44 0.00 -1.46 0.00 0.00 42.92 42.39 1lek s ASP 37 CO -0.01 -0.29 1.87 0.77 0.52 0.00 0.00 175.17 178.02 1lek h SER 38 N 8.35 0.00 -0.05 -0.34 4.64 -1.38 -2.30 113.55 122.46 1lek h SER 38 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1lek h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1lek h SER 38 CO 0.28 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.71 1lek n ASP 39 N -2.53 0.61 -4.86 4.97 9.92 -1.26 -4.82 116.55 118.58 1lek n ASP 39 Ca -0.01 -1.46 -0.31 0.00 -0.53 0.00 0.00 54.79 52.48 1lek n ASP 39 Cb 0.11 -0.03 0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1lek n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lek s ALA 40 N -1.94 3.03 0.07 2.24 0.00 -0.87 -4.98 121.76 119.32 1lek s ALA 40 Ca 0.32 -0.05 -0.36 0.00 0.00 0.00 0.00 51.96 51.88 1lek s ALA 40 Cb 0.16 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 20.00 1lek s ALA 40 CO 0.26 -0.76 1.55 0.93 0.00 0.00 0.00 175.76 177.74 1lek h GLU 41 N -0.34 -1.10 -3.01 0.00 3.07 -1.90 -3.31 114.58 108.00 1lek h GLU 41 Ca -0.44 0.07 -0.66 0.00 -0.50 0.00 0.00 59.36 57.84 1lek h GLU 41 Cb 1.19 0.25 -0.39 0.00 -0.84 0.00 0.00 28.75 28.96 1lek h GLU 41 CO 0.61 -0.73 -0.34 -1.71 -1.40 0.00 0.00 179.01 175.44 1lek n ASN 42 N -5.52 3.74 -4.65 1.42 5.15 -1.26 -5.07 115.26 109.07 1lek n ASN 42 Ca -0.14 -3.23 -0.59 0.00 -0.60 0.00 0.00 54.58 50.02 1lek n ASN 42 Cb 0.49 -0.87 -0.08 0.00 -0.53 0.00 0.00 39.78 38.78 1lek n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1lek n PRO 43 N 1.86 0.86 -3.75 1.20 -0.02 -1.25 -4.96 135.00 128.94 1lek n PRO 43 Ca 0.23 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1lek n PRO 43 Cb 0.37 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1lek n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1lek s ARG 44 N 4.00 0.69 0.13 -0.52 0.52 -1.26 -5.05 118.95 117.47 1lek s ARG 44 Ca 1.03 -0.20 -0.31 0.00 -0.52 0.00 0.00 55.73 55.72 1lek s ARG 44 Cb -1.15 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 34.54 1lek s ARG 44 CO 0.67 -0.20 1.39 -0.47 0.02 0.00 0.00 175.30 176.71 1lek s TYR 45 N -1.43 3.23 0.09 -0.53 5.04 -1.26 -4.62 117.35 117.87 1lek s TYR 45 Ca -0.13 0.96 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 1lek s TYR 45 Cb -0.05 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 38.54 1lek s TYR 45 CO 0.04 -2.40 -0.11 -1.83 -1.34 0.00 0.00 175.55 169.91 1lek s GLU 46 N 0.92 0.81 0.48 4.97 -1.05 0.08 -4.89 118.70 120.02 1lek s GLU 46 Ca 0.64 -1.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.17 1lek s GLU 46 Cb -0.37 -0.58 -0.07 0.00 -0.44 0.00 0.00 34.13 32.67 1lek s GLU 46 CO 0.32 0.10 1.20 -1.25 0.95 0.00 0.00 175.26 176.58 1lek s PRO 47 N -2.41 3.60 0.00 -4.83 0.04 -1.26 -1.66 135.00 128.47 1lek s PRO 47 Ca 0.02 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1lek s PRO 47 Cb -0.05 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1lek s PRO 47 CO 0.01 -0.71 0.10 0.54 0.04 0.00 0.00 177.00 176.97 1lek n ARG 48 N -0.66 2.72 -4.57 4.56 5.12 0.52 -4.85 116.66 119.50 1lek n ARG 48 Ca 0.08 -0.10 -0.22 0.00 -1.93 0.00 0.00 57.85 55.68 1lek n ARG 48 Cb 0.48 -0.46 -0.14 0.00 -1.16 0.00 0.00 32.46 31.17 1lek n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lek s ALA 49 N -0.42 1.27 0.25 7.54 0.00 -1.23 -4.68 121.76 124.49 1lek s ALA 49 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 1lek s ALA 49 Cb 0.00 -0.27 0.47 0.00 0.00 0.00 0.00 23.12 23.32 1lek s ALA 49 CO 0.00 0.29 1.76 -0.09 0.00 0.00 0.00 175.76 177.72 1lek h ARG 50 N 5.40 0.58 0.00 0.00 9.65 -1.94 -2.28 114.38 125.79 1lek h ARG 50 Ca -0.37 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1lek h ARG 50 Cb 1.17 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1lek h ARG 50 CO 0.47 0.38 0.00 -2.67 2.80 0.00 0.00 179.97 180.95 1lek n TRP 51 N -4.89 0.78 1.23 2.20 4.27 -1.26 -2.07 117.44 117.71 1lek n TRP 51 Ca 0.15 0.36 0.10 0.00 -3.89 0.00 0.00 57.50 54.22 1lek n TRP 51 Cb 0.39 -1.07 0.59 0.00 -1.36 0.00 0.00 31.31 29.86 1lek n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1lek n MET 52 N -2.26 0.59 0.18 -2.67 2.81 -0.86 -2.18 117.12 112.73 1lek n MET 52 Ca 0.00 0.01 0.14 0.00 -1.81 0.00 0.00 57.70 56.04 1lek n MET 52 Cb 0.13 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 31.68 1lek n MET 52 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1lek h GLU 53 N 0.00 0.00 0.00 0.03 4.11 -1.62 -2.72 114.58 114.38 1lek h GLU 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lek h GLU 53 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1lek h GLU 53 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 1lek n GLN 54 N -2.52 0.21 -2.93 1.06 6.02 -0.93 -4.75 117.38 113.55 1lek n GLN 54 Ca 0.02 0.34 -0.38 0.00 -0.01 0.00 0.00 57.00 56.97 1lek n GLN 54 Cb 0.27 -1.84 -0.06 0.00 1.02 0.00 0.00 30.24 29.63 1lek n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1lek s GLU 55 N -3.23 4.53 0.96 -1.09 0.41 -1.03 -5.06 118.70 114.20 1lek s GLU 55 Ca 0.07 1.17 -0.14 0.00 -0.41 0.00 0.00 54.97 55.66 1lek s GLU 55 Cb 0.11 -3.05 0.17 0.00 -1.78 0.00 0.00 34.13 29.58 1lek s GLU 55 CO 0.47 0.45 1.16 0.20 -0.49 0.00 0.00 175.26 177.04 1lek s GLY 56 N -1.40 1.61 0.52 -1.39 0.00 -1.26 -4.92 107.32 100.48 1lek s GLY 56 Ca 0.42 -0.69 0.18 0.00 0.00 0.00 0.00 44.72 44.63 1lek s GLY 56 CO 0.25 -0.05 2.12 -0.56 0.00 0.00 0.00 173.10 174.86 1lek h PRO 57 N -1.69 0.00 -0.08 2.90 0.13 -1.97 -1.96 132.00 129.33 1lek h PRO 57 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1lek h PRO 57 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1lek h PRO 57 CO 0.54 0.00 -0.21 1.05 -0.23 0.00 0.00 178.00 179.15 1lek h GLU 58 N 0.00 0.13 0.03 0.86 9.09 -1.99 -2.39 114.58 120.31 1lek h GLU 58 Ca 0.05 -0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.44 1lek h GLU 58 Cb 0.21 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 1lek h GLU 58 CO -0.00 0.34 -0.10 -0.92 0.05 0.00 0.00 179.01 178.38 1lek h TYR 59 N 0.12 -0.26 -0.65 2.06 3.20 -1.70 0.34 116.97 120.08 1lek h TYR 59 Ca 0.02 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1lek h TYR 59 Cb 0.45 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1lek h TYR 59 CO 0.00 -0.16 0.27 -1.49 -1.64 0.00 0.00 178.16 175.14 1lek h TRP 60 N -0.19 0.94 -0.15 -3.82 4.06 -1.58 -0.05 115.95 115.16 1lek h TRP 60 Ca 0.03 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1lek h TRP 60 Cb 0.23 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1lek h TRP 60 CO -0.15 0.72 -0.05 1.49 -3.56 0.00 0.00 178.44 176.88 1lek h GLU 61 N 0.93 0.30 0.31 0.49 4.57 -1.14 -0.22 114.58 119.82 1lek h GLU 61 Ca 0.22 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1lek h GLU 61 Cb 0.16 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1lek h GLU 61 CO -0.02 0.60 -0.29 -0.09 -1.18 0.00 0.00 179.01 178.04 1lek h ARG 62 N -0.02 -0.60 -0.50 1.92 2.43 -0.65 -0.98 114.38 115.98 1lek h ARG 62 Ca 0.04 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1lek h ARG 62 Cb 0.51 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1lek h ARG 62 CO 0.02 -0.40 0.10 0.93 -1.51 0.00 0.00 179.97 179.11 1lek h GLU 63 N -0.62 0.77 -0.24 0.20 4.39 -1.03 -1.07 114.58 116.97 1lek h GLU 63 Ca -0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1lek h GLU 63 Cb 0.56 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1lek h GLU 63 CO -0.04 0.71 0.14 1.15 -1.16 0.00 0.00 179.01 179.81 1lek h THR 64 N 0.74 1.10 -0.85 1.13 2.02 -0.78 0.61 112.91 116.88 1lek h THR 64 Ca 0.16 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1lek h THR 64 Cb 0.30 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1lek h THR 64 CO 0.00 0.10 0.53 1.56 0.37 0.00 0.00 175.52 178.08 1lek h GLN 65 N 0.30 1.14 -0.38 6.66 4.20 -0.80 -1.41 115.11 124.81 1lek h GLN 65 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1lek h GLN 65 Cb 0.04 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1lek h GLN 65 CO -0.02 0.78 0.21 -0.22 -0.67 0.00 0.00 178.83 178.92 1lek h LYS 66 N 1.16 0.53 -0.54 1.46 3.64 -0.77 -2.28 116.57 119.78 1lek h LYS 66 Ca 0.31 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1lek h LYS 66 Cb -0.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1lek h LYS 66 CO -0.06 0.43 0.32 0.00 -2.27 0.00 0.00 179.45 177.88 1lek h ALA 67 N 1.07 0.69 -0.43 5.00 0.00 -0.40 -0.14 119.26 125.05 1lek h ALA 67 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1lek h ALA 67 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1lek h ALA 67 CO -0.02 0.03 0.19 0.87 0.00 0.00 0.00 179.25 180.32 1lek h LYS 68 N 0.64 0.60 -0.19 0.00 1.57 -1.05 0.64 116.57 118.78 1lek h LYS 68 Ca 0.22 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1lek h LYS 68 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1lek h LYS 68 CO -0.10 0.48 -0.59 0.78 -0.57 0.00 0.00 179.45 179.45 1lek h GLY 69 N 0.73 0.68 1.05 3.86 0.00 -0.79 -2.85 103.07 105.75 1lek h GLY 69 Ca 0.15 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 1lek h GLY 69 CO -0.02 0.74 -0.17 3.43 0.00 0.00 0.00 176.54 180.52 1lek h ASN 70 N 0.46 0.92 -0.40 0.19 2.35 -0.25 -1.70 115.58 117.16 1lek h ASN 70 Ca -0.00 -0.39 0.08 0.00 -0.55 0.00 0.00 56.30 55.44 1lek h ASN 70 Cb 1.16 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 39.21 1lek h ASN 70 CO 0.11 1.10 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.87 1lek h GLU 71 N 0.74 0.05 -0.67 0.81 4.81 -0.85 0.82 114.58 120.29 1lek h GLU 71 Ca 0.10 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1lek h GLU 71 Cb 0.73 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1lek h GLU 71 CO 0.06 0.04 0.33 1.96 -0.73 0.00 0.00 179.01 180.66 1lek h GLN 72 N 0.06 0.96 -0.58 1.92 1.08 -1.34 -0.51 115.11 116.69 1lek h GLN 72 Ca 0.19 -0.13 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1lek h GLN 72 Cb 0.29 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 1lek h GLN 72 CO -0.36 0.75 0.33 1.03 -0.95 0.00 0.00 178.83 179.62 1lek h SER 73 N 0.92 0.50 0.82 1.46 0.87 -0.30 -1.70 113.55 116.12 1lek h SER 73 Ca 0.23 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1lek h SER 73 Cb 0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1lek h SER 73 CO -0.03 0.34 -0.56 -0.26 -0.53 0.00 0.00 176.83 175.79 1lek h PHE 74 N 0.63 0.00 -0.46 2.24 -1.00 -0.54 -1.06 116.94 116.74 1lek h PHE 74 Ca 0.25 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.95 1lek h PHE 74 Cb 0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1lek h PHE 74 CO -0.08 0.56 -0.03 -0.09 -1.61 0.00 0.00 178.31 177.06 1lek h ARG 75 N 0.00 0.78 -0.14 1.51 2.43 -0.55 0.20 114.38 118.61 1lek h ARG 75 Ca -0.01 -0.22 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 1lek h ARG 75 Cb 1.11 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1lek h ARG 75 CO 0.07 0.81 -0.66 0.28 -1.51 0.00 0.00 179.97 178.96 1lek h VAL 76 N 0.72 1.34 -0.57 0.20 2.07 -1.06 -2.77 116.25 116.18 1lek h VAL 76 Ca 0.14 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 1lek h VAL 76 Cb 0.49 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1lek h VAL 76 CO 0.02 0.60 0.34 0.28 0.02 0.00 0.00 177.57 178.83 1lek h SER 77 N 0.38 0.69 -0.45 0.57 0.02 -0.54 0.16 113.55 114.39 1lek h SER 77 Ca -0.02 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1lek h SER 77 Cb 1.23 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1lek h SER 77 CO 0.12 0.56 0.23 -0.07 -1.14 0.00 0.00 176.83 176.53 1lek h LEU 78 N 0.77 0.34 -0.53 5.07 3.38 -0.89 0.17 115.31 123.62 1lek h LEU 78 Ca 0.20 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1lek h LEU 78 Cb -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1lek h LEU 78 CO -0.04 0.24 0.09 -0.09 0.09 0.00 0.00 178.44 178.73 1lek h ARG 79 N 0.46 0.88 -0.74 1.13 2.43 -1.17 -2.95 114.38 114.42 1lek h ARG 79 Ca 0.20 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1lek h ARG 79 Cb 0.09 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1lek h ARG 79 CO -0.13 0.85 0.34 1.15 -1.51 0.00 0.00 179.97 180.67 1lek h THR 80 N 0.76 1.24 0.00 0.20 2.02 -0.20 -2.50 112.91 114.44 1lek h THR 80 Ca 0.16 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1lek h THR 80 Cb 0.40 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1lek h THR 80 CO 0.01 0.29 -0.12 -0.07 0.37 0.00 0.00 175.52 176.00 1lek h LEU 81 N 1.05 0.00 -1.31 2.58 3.38 -0.85 -0.01 115.31 120.16 1lek h LEU 81 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1lek h LEU 81 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1lek h LEU 81 CO -0.03 0.12 -0.06 -0.07 0.09 0.00 0.00 178.44 178.49 1lek h LEU 82 N 0.00 0.37 -0.02 1.67 3.38 -1.28 -0.51 115.31 118.92 1lek h LEU 82 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1lek h LEU 82 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1lek h LEU 82 CO 0.02 0.48 -0.16 1.23 0.09 0.00 0.00 178.44 180.09 1lek h GLY 83 N 0.78 0.17 0.69 0.83 0.00 -1.00 0.23 103.07 104.77 1lek h GLY 83 Ca 0.08 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1lek h GLY 83 CO 0.02 0.22 0.12 -0.97 0.00 0.00 0.00 176.54 175.93 1lek h TYR 84 N -0.46 0.22 -0.01 5.60 0.05 -1.00 -2.28 116.97 119.09 1lek h TYR 84 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1lek h TYR 84 Cb 0.85 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.54 1lek h TYR 84 CO 0.16 0.09 -0.11 0.66 -1.05 0.00 0.00 178.16 177.90 1lek n TYR 85 N -5.02 0.00 -3.57 4.88 4.01 -0.22 -4.92 117.16 112.32 1lek n TYR 85 Ca 0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1lek n TYR 85 Cb 0.13 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.12 1lek n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1lek n ASN 86 N -0.53 -2.44 -4.77 7.72 5.15 0.54 -4.99 115.26 115.95 1lek n ASN 86 Ca 0.16 -0.77 -0.23 0.00 -0.60 0.00 0.00 54.58 53.14 1lek n ASN 86 Cb 0.31 -4.44 -0.05 0.00 -0.53 0.00 0.00 39.78 35.06 1lek n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1lek s GLN 87 N -5.61 2.75 0.48 1.20 -0.21 0.26 -5.02 119.66 113.51 1lek s GLN 87 Ca 0.10 -1.09 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 1lek s GLN 87 Cb -0.02 -2.48 -0.08 0.00 1.00 0.00 0.00 33.01 31.42 1lek s GLN 87 CO 0.78 0.42 1.07 0.45 -2.12 0.00 0.00 175.29 175.89 1lek s SER 88 N -3.56 6.26 0.00 5.90 0.15 -1.26 -4.77 113.70 116.42 1lek s SER 88 Ca 0.32 2.04 0.22 0.00 0.70 0.00 0.00 55.95 59.22 1lek s SER 88 Cb -0.08 -2.57 1.22 0.00 -1.71 0.00 0.00 66.02 62.88 1lek s SER 88 CO 0.23 -0.84 1.80 0.00 1.20 0.00 0.00 173.24 175.63 1lek n ALA 89 N -0.84 2.62 0.91 5.45 0.00 -1.26 -3.62 120.51 123.77 1lek n ALA 89 Ca 0.09 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1lek n ALA 89 Cb 0.51 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.85 1lek n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lek n GLY 90 N 0.88 -1.26 3.94 0.00 0.00 -1.26 -4.77 105.19 102.73 1lek n GLY 90 Ca 0.16 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1lek n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lek s GLY 91 N -3.13 1.64 0.13 -0.02 0.00 -1.24 -4.67 107.32 100.03 1lek s GLY 91 Ca 0.10 -1.01 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 1lek s GLY 91 CO 0.72 -1.00 0.70 -0.45 0.00 0.00 0.00 173.10 173.07 1lek s SER 92 N -3.35 7.27 0.07 1.64 0.15 -1.26 -4.70 113.70 113.51 1lek s SER 92 Ca 0.36 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1lek s SER 92 Cb -0.11 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1lek s SER 92 CO 0.29 0.23 -0.05 -1.00 1.20 0.00 0.00 173.24 173.91 1lek s HIS 93 N -1.10 0.66 -0.02 3.44 4.02 -1.26 -4.96 115.29 116.08 1lek s HIS 93 Ca 0.33 -0.96 0.03 0.00 1.02 0.00 0.00 55.06 55.49 1lek s HIS 93 Cb -0.22 -0.43 -0.00 0.00 -1.02 0.00 0.00 32.58 30.91 1lek s HIS 93 CO 0.23 -0.27 -0.12 0.99 1.02 0.00 0.00 174.74 176.60 1lek s THR 94 N -3.58 0.97 -0.07 1.30 2.01 -1.26 -1.63 115.64 113.37 1lek s THR 94 Ca 0.07 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1lek s THR 94 Cb 0.05 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1lek s THR 94 CO -0.07 0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.31 1lek s ILE 95 N 0.03 2.41 0.06 1.82 1.01 -0.25 0.02 121.20 126.30 1lek s ILE 95 Ca -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1lek s ILE 95 Cb -0.08 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1lek s ILE 95 CO 0.01 0.56 -0.16 -1.10 0.00 0.00 0.00 174.94 174.25 1lek s GLN 96 N -0.12 0.94 -0.14 2.79 -0.21 -0.39 -1.57 119.66 120.97 1lek s GLN 96 Ca -0.04 -0.91 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 1lek s GLN 96 Cb -0.14 -0.99 0.05 0.00 1.00 0.00 0.00 33.01 32.93 1lek s GLN 96 CO 0.04 0.23 0.33 0.08 -2.12 0.00 0.00 175.29 173.85 1lek s VAL 97 N -1.08 -0.03 -0.11 1.09 1.01 -0.32 -1.54 120.40 119.42 1lek s VAL 97 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1lek s VAL 97 Cb -0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1lek s VAL 97 CO 0.02 0.04 -0.10 -0.63 0.00 0.00 0.00 175.10 174.43 1lek s ILE 98 N 1.09 3.37 -0.01 2.22 1.09 -0.90 -0.93 121.20 127.12 1lek s ILE 98 Ca -0.07 -0.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 1lek s ILE 98 Cb -0.08 -2.41 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1lek s ILE 98 CO -0.08 0.54 0.01 -0.55 -0.10 0.00 0.00 174.94 174.75 1lek s SER 99 N -0.02 0.10 0.00 3.58 0.15 -0.75 -1.47 113.70 115.29 1lek s SER 99 Ca -0.02 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1lek s SER 99 Cb -0.14 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1lek s SER 99 CO 0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1lek n GLY 100 N 3.56 -0.50 3.09 9.45 0.00 -0.37 -0.62 105.19 119.80 1lek n GLY 100 Ca -0.19 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1lek n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lek s GLU 102 N -3.55 0.74 0.24 0.00 2.02 -0.21 -1.27 118.70 116.67 1lek s GLU 102 Ca 0.03 -0.25 0.11 0.00 0.02 0.00 0.00 54.97 54.89 1lek s GLU 102 Cb 0.05 -0.71 -0.05 0.00 0.10 0.00 0.00 34.13 33.52 1lek s GLU 102 CO -0.09 0.11 -0.19 0.14 0.02 0.00 0.00 175.26 175.25 1lek s VAL 103 N 0.11 2.59 0.55 2.63 -7.23 -0.08 0.46 120.40 119.43 1lek s VAL 103 Ca -0.01 -2.16 -0.09 0.00 -1.81 0.00 0.00 61.98 57.90 1lek s VAL 103 Cb -0.06 -2.31 0.13 0.00 0.56 0.00 0.00 36.38 34.69 1lek s VAL 103 CO 0.00 -0.27 0.73 0.61 -0.31 0.00 0.00 175.10 175.86 1lek n GLY 104 N -0.26 -1.41 0.29 2.32 0.00 0.37 -1.16 105.19 105.35 1lek n GLY 104 Ca -0.08 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1lek n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1lek h SER 105 N -1.03 0.00 -0.12 1.61 0.87 -1.90 -1.04 113.55 111.94 1lek h SER 105 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1lek h SER 105 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1lek h SER 105 CO 0.17 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.57 1lek n ASP 106 N -3.98 1.42 0.00 6.23 5.68 -1.26 -4.90 116.55 119.73 1lek n ASP 106 Ca -0.03 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1lek n ASP 106 Cb 0.10 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1lek n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lek n GLY 107 N 1.09 0.47 3.82 6.12 0.00 -0.40 -5.04 105.19 111.26 1lek n GLY 107 Ca 0.16 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1lek n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lek s ARG 108 N -1.06 3.54 0.10 1.61 3.52 -1.26 -4.80 118.95 120.60 1lek s ARG 108 Ca 0.00 -0.18 -0.36 0.00 -0.13 0.00 0.00 55.73 55.05 1lek s ARG 108 Cb 0.00 -3.19 -0.16 0.00 -1.56 0.00 0.00 34.95 30.04 1lek s ARG 108 CO 0.00 0.67 1.38 -0.11 -0.81 0.00 0.00 175.30 176.43 1lek n LEU 109 N 2.32 1.91 -0.08 -0.88 7.94 -1.26 -0.48 117.00 126.48 1lek n LEU 109 Ca -0.19 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.70 1lek n LEU 109 Cb 0.54 -1.23 -0.07 0.00 0.53 0.00 0.00 43.42 43.19 1lek n LEU 109 CO 0.32 -0.91 -1.01 0.18 -1.11 0.00 0.00 177.39 174.86 1lek n LEU 110 N 2.70 2.48 -3.55 -1.96 4.77 0.17 -4.79 117.00 116.82 1lek n LEU 110 Ca 0.18 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1lek n LEU 110 Cb 0.21 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1lek n LEU 110 CO 0.63 0.64 0.70 0.00 -1.33 0.00 0.00 177.39 178.02 1lek s ARG 111 N -2.30 0.73 0.21 3.23 1.70 -1.13 -5.00 118.95 116.38 1lek s ARG 111 Ca -0.21 0.04 0.07 0.00 -0.47 0.00 0.00 55.73 55.17 1lek s ARG 111 Cb 0.06 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1lek s ARG 111 CO 0.33 -0.25 -0.13 0.20 -1.08 0.00 0.00 175.30 174.37 1lek s GLY 112 N -1.48 1.42 -0.07 3.88 0.00 -1.26 -1.04 107.32 108.77 1lek s GLY 112 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.74 1lek s GLY 112 CO 0.00 -1.74 0.97 -2.52 0.00 0.00 0.00 173.10 169.81 1lek s TYR 113 N -3.03 -0.30 -0.30 1.90 -0.85 -0.40 -4.89 117.35 109.48 1lek s TYR 113 Ca 0.23 0.25 -0.07 0.00 -0.52 0.00 0.00 57.07 56.95 1lek s TYR 113 Cb 0.00 0.52 0.18 0.00 0.38 0.00 0.00 41.96 43.04 1lek s TYR 113 CO 0.07 -0.44 0.79 -1.14 -1.52 0.00 0.00 175.55 173.30 1lek s GLN 114 N -2.67 0.42 0.02 -3.49 0.74 -1.25 -1.23 119.66 112.20 1lek s GLN 114 Ca 0.05 0.82 0.06 0.00 0.05 0.00 0.00 55.36 56.35 1lek s GLN 114 Cb -0.01 0.47 -0.02 0.00 1.10 0.00 0.00 33.01 34.55 1lek s GLN 114 CO -0.07 -0.38 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.45 1lek s GLN 115 N 2.84 1.37 0.18 1.67 -0.21 -0.55 -2.08 119.66 122.88 1lek s GLN 115 Ca 0.08 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 54.71 1lek s GLN 115 Cb -0.12 -1.42 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 1lek s GLN 115 CO -0.17 0.37 -0.05 0.71 -2.12 0.00 0.00 175.29 174.03 1lek s TYR 116 N -0.69 2.74 -0.02 0.91 1.51 0.81 -2.12 117.35 120.50 1lek s TYR 116 Ca 0.07 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1lek s TYR 116 Cb -0.08 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1lek s TYR 116 CO 0.01 0.51 0.07 0.00 -1.11 0.00 0.00 175.55 175.03 1lek s ALA 117 N -1.71 -0.15 -0.16 3.71 0.00 -0.59 -1.44 121.76 121.42 1lek s ALA 117 Ca 0.26 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1lek s ALA 117 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1lek s ALA 117 CO 0.17 -0.08 -0.18 -0.47 0.00 0.00 0.00 175.76 175.20 1lek s TYR 118 N -0.38 2.50 -1.47 0.00 5.04 -1.26 -1.26 117.35 120.52 1lek s TYR 118 Ca -0.04 -1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 53.10 1lek s TYR 118 Cb -0.03 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.58 1lek s TYR 118 CO 0.00 -0.71 0.77 -0.25 -1.34 0.00 0.00 175.55 174.02 1lek n ASP 119 N 4.57 -2.67 -1.71 4.32 8.00 0.10 -4.82 116.55 124.35 1lek n ASP 119 Ca -0.19 -0.87 -0.00 0.00 0.71 0.00 0.00 54.79 54.44 1lek n ASP 119 Cb 0.50 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1lek n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lek n GLY 120 N -1.68 -0.32 3.72 0.44 0.00 -1.26 -5.02 105.19 101.07 1lek n GLY 120 Ca -0.12 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1lek n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lek s ASP 122 N -2.22 7.06 0.03 1.61 1.01 -1.26 -5.07 116.67 117.83 1lek s ASP 122 Ca 0.01 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.34 1lek s ASP 122 Cb -0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 1lek s ASP 122 CO 0.10 -0.47 -0.01 0.00 0.21 0.00 0.00 175.17 174.99 1lek n TYR 123 N 3.70 0.00 -3.79 4.23 9.36 -0.52 -4.65 117.16 125.49 1lek n TYR 123 Ca 0.08 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1lek n TYR 123 Cb 0.46 -0.02 -0.10 0.00 -0.63 0.00 0.00 39.34 39.05 1lek n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1lek s ILE 124 N -1.46 0.05 -0.04 2.97 2.07 -1.22 -0.46 121.20 123.10 1lek s ILE 124 Ca -0.01 -0.38 -0.08 0.00 -1.41 0.00 0.00 60.65 58.77 1lek s ILE 124 Cb 0.00 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.09 1lek s ILE 124 CO 0.02 -0.21 0.18 0.00 -1.91 0.00 0.00 174.94 173.02 1lek s ALA 125 N -0.90 -0.44 0.20 1.50 0.00 -0.77 -0.13 121.76 121.22 1lek s ALA 125 Ca -0.10 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1lek s ALA 125 Cb -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1lek s ALA 125 CO 0.03 -0.16 1.00 -1.17 0.00 0.00 0.00 175.76 175.45 1lek s LEU 126 N -0.67 4.57 0.69 0.00 2.96 -0.88 -0.73 118.68 124.61 1lek s LEU 126 Ca -0.08 1.98 -0.11 0.00 -0.22 0.00 0.00 54.13 55.71 1lek s LEU 126 Cb -0.04 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1lek s LEU 126 CO 0.01 -0.01 1.06 0.20 -1.32 0.00 0.00 176.35 176.30 1lek s ASN 127 N -0.65 5.45 0.28 3.68 0.01 0.54 -4.73 114.94 119.51 1lek s ASN 127 Ca 0.44 1.48 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1lek s ASN 127 Cb -0.27 -2.37 0.67 0.00 0.41 0.00 0.00 41.25 39.70 1lek s ASN 127 CO 0.33 -1.38 1.70 -0.33 -1.51 0.00 0.00 177.10 175.91 1lek h GLU 128 N -0.68 0.39 0.00 -0.60 5.08 -1.90 0.33 114.58 117.21 1lek h GLU 128 Ca -0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1lek h GLU 128 Cb 1.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1lek h GLU 128 CO 0.59 0.26 0.00 -0.40 -1.00 0.00 0.00 179.01 178.46 1lek n ASP 129 N -5.04 0.00 -1.48 1.42 5.68 -1.26 -4.82 116.55 111.05 1lek n ASP 129 Ca 0.20 0.49 -0.17 0.00 -0.50 0.00 0.00 54.79 54.81 1lek n ASP 129 Cb 0.60 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 1lek n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1lek n LEU 130 N -1.49 -1.38 -0.01 -2.12 4.77 0.11 -4.85 117.00 112.02 1lek n LEU 130 Ca 0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1lek n LEU 130 Cb 0.07 -2.50 -0.04 0.00 -2.33 0.00 0.00 43.42 38.62 1lek n LEU 130 CO 0.05 -0.77 -0.62 0.29 -1.33 0.00 0.00 177.39 175.02 1lek n LYS 131 N -2.53 1.54 -4.11 3.23 5.02 -1.26 -4.58 118.16 115.46 1lek n LYS 131 Ca -0.18 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 1lek n LYS 131 Cb 0.59 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.37 1lek n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1lek s THR 132 N -2.27 0.12 0.24 -0.18 -4.23 -1.26 -4.87 115.64 103.19 1lek s THR 132 Ca -0.02 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1lek s THR 132 Cb 0.03 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1lek s THR 132 CO 0.23 -0.54 0.15 0.26 -0.54 0.00 0.00 174.62 174.17 1lek s TRP 133 N -4.01 3.03 -0.10 3.99 0.52 -1.26 -0.34 118.94 120.76 1lek s TRP 133 Ca 0.20 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.21 1lek s TRP 133 Cb 0.07 -1.37 0.02 0.00 -1.15 0.00 0.00 33.47 31.04 1lek s TRP 133 CO -0.01 0.54 -0.14 -0.08 0.02 0.00 0.00 176.95 177.29 1lek s THR 134 N -2.12 1.38 -0.15 2.01 -1.32 0.09 -4.87 115.64 110.65 1lek s THR 134 Ca 0.32 -0.57 -0.08 0.00 -1.21 0.00 0.00 61.69 60.16 1lek s THR 134 Cb -0.08 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1lek s THR 134 CO 0.24 0.42 0.13 0.00 -2.21 0.00 0.00 174.62 173.20 1lek s ALA 135 N 1.05 3.80 -0.04 11.08 0.00 -1.26 -1.85 121.76 134.54 1lek s ALA 135 Ca -0.06 -0.66 0.18 0.00 0.00 0.00 0.00 51.96 51.42 1lek s ALA 135 Cb -0.15 -2.03 0.37 0.00 0.00 0.00 0.00 23.12 21.31 1lek s ALA 135 CO -0.02 0.45 1.58 0.00 0.00 0.00 0.00 175.76 177.77 1lek h ALA 136 N 5.61 0.82 -3.17 0.00 0.00 -1.03 -3.47 119.26 118.01 1lek h ALA 136 Ca -0.50 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 1lek h ALA 136 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1lek h ALA 136 CO 0.65 0.51 0.01 -0.40 0.00 0.00 0.00 179.25 180.02 1lek n ASP 137 N -3.32 -1.14 0.25 0.00 5.68 -1.26 -5.04 116.55 111.73 1lek n ASP 137 Ca 0.01 -2.16 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 1lek n ASP 137 Cb 0.62 2.00 0.67 0.00 -1.14 0.00 0.00 41.12 43.28 1lek n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1lek h MET 138 N 0.00 0.00 -0.00 0.11 2.86 -1.98 -1.41 114.93 114.51 1lek h MET 138 Ca -0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1lek h MET 138 Cb 0.79 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1lek h MET 138 CO 0.26 0.14 -0.00 0.00 1.06 0.00 0.00 176.91 178.37 1lek h ALA 139 N 1.86 0.00 0.00 6.32 0.00 -1.96 -2.97 119.26 122.51 1lek h ALA 139 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1lek h ALA 139 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lek h ALA 139 CO 0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 179.25 178.94 1lek h ALA 140 N 0.51 1.71 -0.31 0.00 0.00 -1.76 -1.26 119.26 118.15 1lek h ALA 140 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1lek h ALA 140 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1lek h ALA 140 CO 0.00 0.11 -0.07 1.25 0.00 0.00 0.00 179.25 180.53 1lek h LEU 141 N 0.00 0.48 -0.37 0.00 5.85 -1.15 0.14 115.31 120.27 1lek h LEU 141 Ca -0.00 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1lek h LEU 141 Cb 0.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1lek h LEU 141 CO 0.01 0.60 0.06 0.40 -0.34 0.00 0.00 178.44 179.17 1lek h ILE 142 N 0.47 1.24 -0.74 4.05 2.04 -1.08 -1.08 117.51 122.41 1lek h ILE 142 Ca 0.09 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1lek h ILE 142 Cb 0.43 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1lek h ILE 142 CO 0.02 0.29 0.43 0.74 0.00 0.00 0.00 178.15 179.63 1lek h THR 143 N 0.45 1.22 -0.53 -0.27 2.02 -1.23 -1.19 112.91 113.38 1lek h THR 143 Ca 0.11 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1lek h THR 143 Cb 0.36 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1lek h THR 143 CO 0.01 0.24 0.31 0.50 0.37 0.00 0.00 175.52 176.94 1lek h LYS 144 N 1.02 0.59 -0.61 6.66 3.64 -0.33 -0.21 116.57 127.32 1lek h LYS 144 Ca 0.26 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1lek h LYS 144 Cb 0.00 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1lek h LYS 144 CO -0.05 0.39 0.08 0.45 -2.27 0.00 0.00 179.45 178.06 1lek h HIS 145 N 0.61 1.09 0.30 1.91 3.86 -0.73 -0.81 115.15 121.38 1lek h HIS 145 Ca 0.22 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1lek h HIS 145 Cb 0.04 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1lek h HIS 145 CO -0.07 0.94 -0.14 0.87 0.86 0.00 0.00 177.93 180.39 1lek h LYS 146 N 0.93 -0.38 -0.79 2.45 1.57 -0.80 -2.14 116.57 117.41 1lek h LYS 146 Ca 0.18 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1lek h LYS 146 Cb 0.45 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1lek h LYS 146 CO 0.02 -0.19 0.52 -1.49 -0.57 0.00 0.00 179.45 177.74 1lek h TRP 147 N -0.50 0.93 0.07 -1.35 6.55 -0.97 -0.90 115.95 119.78 1lek h TRP 147 Ca -0.04 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 1lek h TRP 147 Cb 0.37 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 1lek h TRP 147 CO -0.03 0.54 -0.04 0.93 -1.05 0.00 0.00 178.44 178.79 1lek h GLU 148 N 0.96 -0.10 0.00 0.49 5.08 -1.02 -0.30 114.58 119.70 1lek h GLU 148 Ca 0.32 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1lek h GLU 148 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1lek h GLU 148 CO -0.09 0.08 -0.03 1.96 -1.00 0.00 0.00 179.01 179.92 1lek h GLN 149 N -0.25 0.00 -0.01 2.33 7.50 -0.91 -1.41 115.11 122.36 1lek h GLN 149 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1lek h GLN 149 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1lek h GLN 149 CO 0.02 0.03 -0.34 0.00 -1.50 0.00 0.00 178.83 177.04 1lek n ALA 150 N -2.14 3.26 -2.00 3.87 0.00 -0.38 -4.95 120.51 118.17 1lek n ALA 150 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1lek n ALA 150 Cb 0.21 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1lek n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lek n GLY 151 N 1.38 0.20 0.32 0.00 0.00 -0.34 -4.94 105.19 101.82 1lek n GLY 151 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1lek n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lek h GLU 152 N 0.00 0.86 -0.66 1.61 4.39 -1.36 -2.89 114.58 116.52 1lek h GLU 152 Ca -0.23 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.39 1lek h GLU 152 Cb 1.06 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 1lek h GLU 152 CO 0.28 0.68 0.40 0.00 -1.16 0.00 0.00 179.01 179.21 1lek h ALA 153 N 1.45 0.87 -0.60 3.43 0.00 -1.90 0.18 119.26 122.69 1lek h ALA 153 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1lek h ALA 153 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1lek h ALA 153 CO -0.02 0.15 0.22 0.93 0.00 0.00 0.00 179.25 180.52 1lek h GLU 154 N 0.79 0.91 -0.50 0.00 3.07 -1.82 0.16 114.58 117.18 1lek h GLU 154 Ca 0.27 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 1lek h GLU 154 Cb 0.04 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1lek h GLU 154 CO -0.12 0.79 -0.00 -0.09 -1.40 0.00 0.00 179.01 178.19 1lek h ARG 155 N 0.83 0.88 -0.40 2.33 2.43 -1.23 -1.90 114.38 117.33 1lek h ARG 155 Ca 0.20 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 1lek h ARG 155 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1lek h ARG 155 CO -0.01 0.92 -0.19 1.25 -1.51 0.00 0.00 179.97 180.42 1lek h LEU 156 N 0.75 0.86 -0.93 3.80 5.85 -0.42 -2.66 115.31 122.56 1lek h LEU 156 Ca 0.14 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1lek h LEU 156 Cb 0.52 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1lek h LEU 156 CO 0.03 1.08 0.61 -0.09 -0.34 0.00 0.00 178.44 179.73 1lek h ARG 157 N 0.65 1.20 -0.51 1.25 2.43 -0.58 -0.76 114.38 118.07 1lek h ARG 157 Ca 0.09 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1lek h ARG 157 Cb 0.75 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1lek h ARG 157 CO 0.06 0.79 0.17 0.00 -1.51 0.00 0.00 179.97 179.49 1lek h ALA 158 N 1.35 1.36 -0.13 2.80 0.00 -1.20 -1.19 119.26 122.25 1lek h ALA 158 Ca 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1lek h ALA 158 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1lek h ALA 158 CO -0.09 0.47 -0.07 -0.92 0.00 0.00 0.00 179.25 178.65 1lek h TYR 159 N 0.73 0.32 -0.75 0.00 3.20 -0.97 -1.15 116.97 118.35 1lek h TYR 159 Ca 0.17 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1lek h TYR 159 Cb 0.19 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1lek h TYR 159 CO 0.01 0.62 0.33 -0.07 -1.64 0.00 0.00 178.16 177.41 1lek h LEU 160 N -0.08 1.01 0.00 2.82 3.38 -0.89 0.26 115.31 121.81 1lek h LEU 160 Ca 0.03 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1lek h LEU 160 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1lek h LEU 160 CO 0.02 0.89 -0.81 -0.33 0.09 0.00 0.00 178.44 178.30 1lek h GLU 161 N 1.07 0.00 0.00 1.13 5.08 -1.29 -3.30 114.58 117.26 1lek h GLU 161 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1lek h GLU 161 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1lek h GLU 161 CO -0.03 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.76 1lek n GLY 162 N 1.27 0.03 0.36 -3.84 0.00 -0.43 -4.53 105.19 98.04 1lek n GLY 162 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1lek n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1lek h THR 163 N 0.00 0.06 -0.16 2.61 2.02 -1.58 0.14 112.91 116.00 1lek h THR 163 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1lek h THR 163 Cb 0.00 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1lek h THR 163 CO 0.00 0.00 0.09 0.00 0.37 0.00 0.00 175.52 175.98 1lek h VAL 165 N 0.17 1.25 -0.73 0.00 2.07 -1.42 -2.13 116.25 115.47 1lek h VAL 165 Ca 0.06 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1lek h VAL 165 Cb 0.04 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1lek h VAL 165 CO -0.01 0.28 0.33 -0.33 0.02 0.00 0.00 177.57 177.86 1lek h GLU 166 N 0.29 1.06 -0.08 1.57 5.08 -0.68 -1.99 114.58 119.84 1lek h GLU 166 Ca 0.08 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1lek h GLU 166 Cb 0.39 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1lek h GLU 166 CO 0.01 0.84 -0.72 -1.49 -1.00 0.00 0.00 179.01 176.65 1lek h TRP 167 N 1.02 0.53 -0.71 4.33 4.06 -1.19 -2.61 115.95 121.38 1lek h TRP 167 Ca 0.25 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1lek h TRP 167 Cb 0.15 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1lek h TRP 167 CO 0.01 0.98 0.42 1.25 -3.56 0.00 0.00 178.44 177.54 1lek h LEU 168 N 0.27 0.85 -0.82 -4.49 5.85 -1.19 0.22 115.31 115.99 1lek h LEU 168 Ca -0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1lek h LEU 168 Cb 1.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1lek h LEU 168 CO 0.12 0.67 0.53 0.03 -0.34 0.00 0.00 178.44 179.45 1lek h ARG 169 N 0.96 1.10 -0.40 1.25 3.08 -1.28 -0.42 114.38 118.67 1lek h ARG 169 Ca 0.25 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1lek h ARG 169 Cb -0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 1lek h ARG 169 CO -0.05 0.75 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.46 1lek h ARG 170 N 1.12 0.74 -0.36 0.04 2.43 -0.99 -1.35 114.38 116.01 1lek h ARG 170 Ca 0.30 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1lek h ARG 170 Cb -0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1lek h ARG 170 CO -0.06 0.85 0.19 1.88 -1.51 0.00 0.00 179.97 181.32 1lek h TYR 171 N 0.55 0.50 -0.27 2.20 0.05 -0.14 0.86 116.97 120.72 1lek h TYR 171 Ca 0.11 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 1lek h TYR 171 Cb 0.55 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1lek h TYR 171 CO 0.04 0.41 0.05 -0.07 -1.05 0.00 0.00 178.16 177.54 1lek h LEU 172 N 0.45 0.36 0.05 3.88 3.38 -1.02 -0.43 115.31 121.97 1lek h LEU 172 Ca 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lek h LEU 172 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1lek h LEU 172 CO -0.02 0.38 -0.02 0.50 0.09 0.00 0.00 178.44 179.37 1lek h LYS 173 N 0.39 -0.06 -0.76 1.13 3.64 -0.58 -1.80 116.57 118.53 1lek h LYS 173 Ca 0.09 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1lek h LYS 173 Cb 0.19 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1lek h LYS 173 CO -0.00 0.47 0.27 -0.91 -2.27 0.00 0.00 179.45 177.00 1lek h ASN 174 N -0.63 1.07 -0.63 4.20 2.35 -0.66 -3.07 115.58 118.21 1lek h ASN 174 Ca -0.01 -0.19 -0.22 0.00 -0.55 0.00 0.00 56.30 55.33 1lek h ASN 174 Cb 0.55 -0.28 -0.13 0.00 0.05 0.00 0.00 38.32 38.51 1lek h ASN 174 CO 0.01 0.97 0.22 0.61 -1.65 0.00 0.00 177.43 177.60 1lek n GLY 175 N -0.81 4.08 0.38 2.83 0.00 -0.19 -4.70 105.19 106.77 1lek n GLY 175 Ca 0.06 -1.06 0.20 0.00 0.00 0.00 0.00 46.02 45.22 1lek n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1lek h ASN 176 N 1.99 0.57 0.63 1.61 -1.07 -1.22 0.35 115.58 118.43 1lek h ASN 176 Ca 0.27 0.11 -0.01 0.00 0.07 0.00 0.00 56.30 56.74 1lek h ASN 176 Cb 2.16 0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 38.42 1lek h ASN 176 CO 0.65 0.11 -0.05 0.00 0.07 0.00 0.00 177.43 178.21 1lek h ALA 177 N 1.67 1.07 0.00 4.14 0.00 -1.87 -0.53 119.26 123.74 1lek h ALA 177 Ca 0.62 -0.05 -0.45 0.00 0.00 0.00 0.00 54.91 55.03 1lek h ALA 177 Cb 1.34 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1lek h ALA 177 CO -0.38 0.06 -2.51 2.41 0.00 0.00 0.00 179.25 178.83 1lek n THR 178 N -3.24 1.49 0.13 0.00 -1.04 0.90 -4.35 114.28 108.16 1lek n THR 178 Ca -0.01 -0.38 -0.01 0.00 -2.04 0.00 0.00 64.05 61.61 1lek n THR 178 Cb 0.25 -1.87 0.12 0.00 -1.82 0.00 0.00 70.33 67.01 1lek n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1lek h LEU 179 N -0.97 0.00 -1.93 -4.42 3.38 -0.69 -3.26 115.31 107.42 1lek h LEU 179 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1lek h LEU 179 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1lek h LEU 179 CO -0.41 0.66 0.00 0.18 0.09 0.00 0.00 178.44 178.95 1lek n LEU 180 N -3.62 2.88 -4.90 1.67 4.77 -0.21 -4.96 117.00 112.63 1lek n LEU 180 Ca -0.01 -1.26 -0.29 0.00 -0.03 0.00 0.00 56.01 54.42 1lek n LEU 180 Cb 0.68 -0.22 0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1lek n LEU 180 CO 0.42 0.63 0.82 0.00 -1.33 0.00 0.00 177.39 177.93 1lek s ARG 181 N -1.55 1.32 -0.07 3.23 1.70 -1.23 -5.03 118.95 117.31 1lek s ARG 181 Ca 0.37 -0.09 -0.03 0.00 -0.47 0.00 0.00 55.73 55.51 1lek s ARG 181 Cb 0.21 -1.89 0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1lek s ARG 181 CO 0.29 -2.00 0.13 0.99 -1.08 0.00 0.00 175.30 173.63 1lek s THR 182 N -3.68 -0.21 -0.24 4.99 2.01 -1.26 -4.52 115.64 112.73 1lek s THR 182 Ca 0.67 0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 1lek s THR 182 Cb -0.08 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1lek s THR 182 CO 0.51 0.15 0.01 -1.81 -0.69 0.00 0.00 174.62 172.79 1lek s ASP 183 N 2.25 4.71 0.26 3.53 1.01 0.35 -4.94 116.67 123.84 1lek s ASP 183 Ca 0.04 -0.36 -0.29 0.00 0.71 0.00 0.00 52.55 52.64 1lek s ASP 183 Cb -0.12 -1.82 -0.09 0.00 1.01 0.00 0.00 42.92 41.89 1lek s ASP 183 CO -0.05 -0.05 1.20 -0.44 0.21 0.00 0.00 175.17 176.04 1lek s SER 184 N 1.53 7.06 0.41 0.27 0.01 -1.26 -1.79 113.70 119.93 1lek s SER 184 Ca 0.06 2.38 -0.24 0.00 1.31 0.00 0.00 55.95 59.46 1lek s SER 184 Cb -0.15 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 1lek s SER 184 CO -0.00 -0.33 1.07 -2.16 0.41 0.00 0.00 173.24 172.23 1lek s PRO 185 N -1.12 4.10 -0.17 12.44 0.04 -1.26 -4.49 135.00 144.54 1lek s PRO 185 Ca 0.49 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 1lek s PRO 185 Cb -0.35 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1lek s PRO 185 CO 0.43 -0.21 -0.02 0.15 0.04 0.00 0.00 177.00 177.39 1lek s LYS 186 N -2.52 3.70 0.26 4.56 -0.14 -0.29 -4.86 119.74 120.44 1lek s LYS 186 Ca 0.59 -0.50 0.11 0.00 -1.36 0.00 0.00 55.97 54.80 1lek s LYS 186 Cb -0.23 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1lek s LYS 186 CO 0.29 0.21 -0.14 0.00 -0.76 0.00 0.00 175.35 174.95 1lek s ALA 187 N 0.47 2.87 0.11 5.17 0.00 -1.26 -0.15 121.76 128.97 1lek s ALA 187 Ca -0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1lek s ALA 187 Cb -0.14 -0.47 0.08 0.00 0.00 0.00 0.00 23.12 22.59 1lek s ALA 187 CO 0.02 0.31 0.71 -3.38 0.00 0.00 0.00 175.76 173.43 1lek s HIS 188 N -2.28 -0.45 -0.05 0.00 -3.43 -0.82 -5.00 115.29 103.25 1lek s HIS 188 Ca 0.29 0.26 0.06 0.00 -0.80 0.00 0.00 55.06 54.87 1lek s HIS 188 Cb -0.06 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1lek s HIS 188 CO 0.16 -0.76 -0.24 0.08 -2.00 0.00 0.00 174.74 171.98 1lek s VAL 189 N -3.53 2.16 0.18 -5.38 1.01 -1.26 -0.38 120.40 113.19 1lek s VAL 189 Ca 0.03 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1lek s VAL 189 Cb -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1lek s VAL 189 CO -0.11 0.57 0.05 0.42 0.00 0.00 0.00 175.10 176.04 1lek s THR 190 N -0.28 3.96 -0.04 3.92 -4.23 -0.00 -4.95 115.64 114.01 1lek s THR 190 Ca -0.00 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1lek s THR 190 Cb -0.13 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.69 1lek s THR 190 CO 0.03 -0.15 -0.17 -2.28 -0.54 0.00 0.00 174.62 171.51 1lek s HIS 191 N -1.82 1.70 -0.01 3.99 2.46 -1.26 -1.67 115.29 118.68 1lek s HIS 191 Ca 0.29 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1lek s HIS 191 Cb -0.09 -1.14 0.01 0.00 -0.13 0.00 0.00 32.58 31.23 1lek s HIS 191 CO 0.20 -0.16 0.01 -1.01 -2.47 0.00 0.00 174.74 171.31 1lek s HIS 192 N 0.03 0.04 0.67 3.88 3.76 -0.47 -4.98 115.29 118.22 1lek s HIS 192 Ca -0.04 0.05 -0.15 0.00 -0.15 0.00 0.00 55.06 54.77 1lek s HIS 192 Cb -0.11 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1lek s HIS 192 CO 0.02 -0.04 1.14 -1.12 -0.85 0.00 0.00 174.74 173.88 1lek s SER 193 N 0.50 4.92 0.08 1.40 0.01 -1.26 -0.33 113.70 119.02 1lek s SER 193 Ca -0.04 2.11 0.03 0.00 1.31 0.00 0.00 55.95 59.36 1lek s SER 193 Cb -0.06 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1lek s SER 193 CO -0.01 -1.76 -0.08 -0.13 0.41 0.00 0.00 173.24 171.66 1lek s ARG 194 N -3.96 0.73 0.04 12.44 1.81 -0.98 -4.78 118.95 124.24 1lek s ARG 194 Ca 0.69 -1.06 -0.23 0.00 -1.72 0.00 0.00 55.73 53.42 1lek s ARG 194 Cb -0.23 -0.36 -0.15 0.00 -0.45 0.00 0.00 34.95 33.76 1lek s ARG 194 CO 0.41 0.04 1.46 -1.35 -0.68 0.00 0.00 175.30 175.19 1lek h PRO 195 N 3.74 0.16 0.00 3.54 0.11 -1.98 -3.22 132.00 134.35 1lek h PRO 195 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lek h PRO 195 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1lek h PRO 195 CO 0.52 0.42 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 1lek n GLU 196 N -4.83 0.00 -3.14 1.05 0.28 -1.26 -4.69 120.64 108.05 1lek n GLU 196 Ca -0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.80 1lek n GLU 196 Cb 0.20 -0.96 0.07 0.00 1.43 0.00 0.00 31.44 32.17 1lek n GLU 196 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1lek n ASP 197 N -0.16 -2.46 -3.82 -1.84 2.03 -1.21 -5.02 116.55 104.06 1lek n ASP 197 Ca 0.00 -0.47 -0.09 0.00 0.52 0.00 0.00 54.79 54.75 1lek n ASP 197 Cb 0.00 -4.09 -0.04 0.00 -0.72 0.00 0.00 41.12 36.27 1lek n ASP 197 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1lek s LYS 198 N -5.18 1.70 0.27 -0.67 -2.85 -1.26 -3.51 119.74 108.24 1lek s LYS 198 Ca 0.06 -1.22 0.09 0.00 -1.00 0.00 0.00 55.97 53.90 1lek s LYS 198 Cb -0.03 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 1lek s LYS 198 CO 0.57 -0.74 -0.12 0.14 0.10 0.00 0.00 175.35 175.30 1lek s VAL 199 N -3.79 1.97 -0.20 1.79 -7.23 0.13 -2.32 120.40 110.74 1lek s VAL 199 Ca 0.19 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 1lek s VAL 199 Cb -0.03 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1lek s VAL 199 CO 0.09 -0.39 0.03 -0.89 -0.31 0.00 0.00 175.10 173.64 1lek s THR 200 N -2.82 4.29 -0.16 5.32 2.01 0.55 -0.42 115.64 124.42 1lek s THR 200 Ca 0.28 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 1lek s THR 200 Cb 0.00 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1lek s THR 200 CO 0.12 0.42 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 1lek s LEU 201 N 0.89 3.08 -0.12 4.42 1.43 0.28 -1.37 118.68 127.30 1lek s LEU 201 Ca 0.02 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1lek s LEU 201 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1lek s LEU 201 CO 0.02 0.14 -0.15 -0.60 0.23 0.00 0.00 176.35 175.99 1lek s ARG 202 N 0.52 2.28 -0.24 1.70 3.52 -0.67 -0.72 118.95 125.33 1lek s ARG 202 Ca -0.05 -0.58 -0.12 0.00 -0.13 0.00 0.00 55.73 54.86 1lek s ARG 202 Cb -0.15 -1.96 -0.05 0.00 -1.56 0.00 0.00 34.95 31.24 1lek s ARG 202 CO 0.03 -0.09 0.25 0.00 -0.81 0.00 0.00 175.30 174.67 1lek s TRP 204 N 1.40 3.13 -0.12 0.00 0.52 0.48 -1.26 118.94 123.09 1lek s TRP 204 Ca 0.11 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.39 1lek s TRP 204 Cb -0.15 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1lek s TRP 204 CO 0.07 0.46 -0.12 0.00 0.02 0.00 0.00 176.95 177.38 1lek s ALA 205 N -0.93 1.62 0.28 0.98 0.00 -0.44 -1.95 121.76 121.32 1lek s ALA 205 Ca 0.15 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1lek s ALA 205 Cb -0.11 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1lek s ALA 205 CO 0.04 -0.27 -0.11 -0.51 0.00 0.00 0.00 175.76 174.91 1lek s LEU 206 N 1.35 2.57 -1.53 0.00 1.43 0.79 -2.19 118.68 121.10 1lek s LEU 206 Ca 0.00 -1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 51.83 1lek s LEU 206 Cb -0.14 -0.81 0.11 0.00 0.03 0.00 0.00 46.19 45.39 1lek s LEU 206 CO -0.06 -0.21 0.75 0.61 0.23 0.00 0.00 176.35 177.67 1lek n GLY 207 N -0.60 -0.48 3.77 -3.19 0.00 -1.17 -1.14 105.19 102.40 1lek n GLY 207 Ca -0.06 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1lek n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lek s PHE 208 N -3.17 2.96 -0.28 1.61 -0.12 -1.08 -4.50 117.98 113.40 1lek s PHE 208 Ca 0.62 -0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 57.10 1lek s PHE 208 Cb -0.33 -1.39 0.10 0.00 -0.63 0.00 0.00 43.02 40.77 1lek s PHE 208 CO 0.76 0.51 0.86 -0.47 -0.05 0.00 0.00 175.22 176.83 1lek s TYR 209 N -2.22 -0.69 1.30 3.49 5.04 -0.74 -0.78 117.35 122.76 1lek s TYR 209 Ca 0.33 1.59 -0.22 0.00 -2.44 0.00 0.00 57.07 56.34 1lek s TYR 209 Cb -0.07 0.36 0.33 0.00 0.35 0.00 0.00 41.96 42.94 1lek s TYR 209 CO 0.24 -0.34 0.96 -0.35 -1.34 0.00 0.00 175.55 174.72 1lek n PRO 210 N 2.85 -3.89 0.14 4.97 -0.04 -1.26 -0.49 135.00 137.29 1lek n PRO 210 Ca -0.15 -1.57 -0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1lek n PRO 210 Cb 0.56 -1.71 0.26 0.00 -0.04 0.00 0.00 33.50 32.57 1lek n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lek h ALA 211 N -3.13 1.17 -2.73 0.55 0.00 -1.96 -3.45 119.26 109.71 1lek h ALA 211 Ca -0.39 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.56 1lek h ALA 211 Cb 1.25 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 19.03 1lek h ALA 211 CO 0.25 0.60 0.89 0.34 0.00 0.00 0.00 179.25 181.33 1lek s ASP 212 N -6.89 6.46 0.06 0.00 2.15 -1.26 -4.98 116.67 112.21 1lek s ASP 212 Ca -0.03 2.83 -0.27 0.00 0.43 0.00 0.00 52.55 55.51 1lek s ASP 212 Cb 0.13 -2.62 0.09 0.00 -0.30 0.00 0.00 42.92 40.22 1lek s ASP 212 CO 0.75 -0.87 0.80 -0.51 -0.17 0.00 0.00 175.17 175.17 1lek s ILE 213 N 0.43 0.00 -0.06 4.11 2.07 -1.26 -4.66 121.20 121.82 1lek s ILE 213 Ca 0.66 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 1lek s ILE 213 Cb -0.46 -1.09 0.02 0.00 0.13 0.00 0.00 42.46 41.06 1lek s ILE 213 CO 0.41 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.48 1lek s THR 214 N -3.33 0.81 -0.12 4.00 2.01 -0.63 -5.00 115.64 113.38 1lek s THR 214 Ca 0.04 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1lek s THR 214 Cb -0.01 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1lek s THR 214 CO -0.09 0.30 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.15 1lek s LEU 215 N 1.03 2.07 0.07 4.42 1.43 -1.26 -0.80 118.68 125.64 1lek s LEU 215 Ca -0.09 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1lek s LEU 215 Cb -0.14 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1lek s LEU 215 CO -0.00 0.12 -0.05 0.42 0.23 0.00 0.00 176.35 177.06 1lek s THR 216 N 0.58 0.45 -0.09 5.49 -4.23 -0.44 -4.98 115.64 112.42 1lek s THR 216 Ca -0.13 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1lek s THR 216 Cb -0.17 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 1lek s THR 216 CO 0.04 -0.88 -0.19 0.26 -0.54 0.00 0.00 174.62 173.31 1lek s TRP 217 N -3.52 2.64 0.12 3.99 0.52 -1.26 -0.34 118.94 121.09 1lek s TRP 217 Ca 0.07 -0.65 0.10 0.00 0.02 0.00 0.00 56.10 55.64 1lek s TRP 217 Cb 0.05 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1lek s TRP 217 CO -0.07 -0.18 -0.26 -0.65 0.02 0.00 0.00 176.95 175.82 1lek s GLN 218 N 0.01 1.36 -0.04 4.98 -0.21 0.00 -0.98 119.66 124.78 1lek s GLN 218 Ca -0.06 -1.30 -0.01 0.00 0.02 0.00 0.00 55.36 54.00 1lek s GLN 218 Cb -0.15 -1.80 0.03 0.00 1.00 0.00 0.00 33.01 32.09 1lek s GLN 218 CO 0.05 0.43 0.07 -1.17 -2.12 0.00 0.00 175.29 172.54 1lek s LEU 219 N -2.00 0.82 -2.01 2.90 2.96 -0.37 -2.02 118.68 118.97 1lek s LEU 219 Ca 0.12 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1lek s LEU 219 Cb -0.10 0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.62 1lek s LEU 219 CO 0.06 -0.15 0.00 0.59 -1.32 0.00 0.00 176.35 175.52 1lek n ASN 220 N 4.39 -5.18 0.00 3.68 3.02 -1.26 -0.63 115.26 119.27 1lek n ASN 220 Ca -0.23 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1lek n ASN 220 Cb 0.50 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 1lek n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lek n GLY 221 N -0.32 0.71 3.53 7.41 0.00 -1.26 -5.05 105.19 110.22 1lek n GLY 221 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1lek n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lek s GLU 222 N -0.26 2.43 0.03 1.61 -1.05 0.19 -5.06 118.70 116.60 1lek s GLU 222 Ca 0.00 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 1lek s GLU 222 Cb 0.00 -2.40 -0.05 0.00 -0.44 0.00 0.00 34.13 31.24 1lek s GLU 222 CO 0.00 0.60 1.17 -1.21 0.95 0.00 0.00 175.26 176.77 1lek s GLU 223 N -1.20 4.44 0.00 -4.83 2.02 -1.26 -1.24 118.70 116.62 1lek s GLU 223 Ca 0.15 1.70 0.14 0.00 0.02 0.00 0.00 54.97 56.98 1lek s GLU 223 Cb -0.11 -3.40 0.51 0.00 0.10 0.00 0.00 34.13 31.23 1lek s GLU 223 CO 0.05 -0.26 1.38 1.28 0.02 0.00 0.00 175.26 177.72 1lek n LEU 224 N 4.15 1.39 0.00 1.80 4.77 -0.16 -4.66 117.00 124.29 1lek n LEU 224 Ca 0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1lek n LEU 224 Cb 0.47 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1lek n LEU 224 CO 0.55 0.32 0.00 -0.38 -1.33 0.00 0.00 177.39 176.55 1lek n ILE 225 N 0.20 0.00 0.29 -0.08 5.41 -1.26 -0.35 119.36 123.57 1lek n ILE 225 Ca 0.12 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.69 1lek n ILE 225 Cb 0.25 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.08 1lek n ILE 225 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1lek h GLN 226 N 0.00 -0.97 -0.35 0.38 4.15 -1.98 -3.22 115.11 113.11 1lek h GLN 226 Ca 0.00 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1lek h GLN 226 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1lek h GLN 226 CO 0.00 -0.65 0.00 -0.25 -1.93 0.00 0.00 178.83 176.00 1lek n ASP 227 N -5.53 0.71 -4.90 -0.69 8.00 0.52 -4.90 116.55 109.76 1lek n ASP 227 Ca -0.12 -2.03 -0.20 0.00 0.71 0.00 0.00 54.79 53.15 1lek n ASP 227 Cb 0.46 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1lek n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lek s MET 228 N -1.68 2.80 0.19 -1.24 0.23 -1.22 -4.61 119.30 113.77 1lek s MET 228 Ca 0.05 -1.26 0.11 0.00 -1.03 0.00 0.00 55.69 53.55 1lek s MET 228 Cb 0.03 -2.57 -0.04 0.00 -1.53 0.00 0.00 34.83 30.72 1lek s MET 228 CO 0.03 0.01 -0.23 -2.00 -2.03 0.00 0.00 175.02 170.80 1lek s GLU 229 N -4.09 1.47 0.24 3.16 2.12 0.24 -4.95 118.70 116.89 1lek s GLU 229 Ca 0.44 -1.51 -0.22 0.00 0.36 0.00 0.00 54.97 54.05 1lek s GLU 229 Cb -0.07 -1.75 0.05 0.00 0.26 0.00 0.00 34.13 32.63 1lek s GLU 229 CO 0.28 0.37 0.86 -0.48 -0.54 0.00 0.00 175.26 175.76 1lek s LEU 230 N -2.68 -0.16 0.23 2.70 0.05 -1.26 0.67 118.68 118.23 1lek s LEU 230 Ca 0.20 -0.62 0.11 0.00 0.05 0.00 0.00 54.13 53.87 1lek s LEU 230 Cb -0.07 2.46 -0.05 0.00 -2.05 0.00 0.00 46.19 46.48 1lek s LEU 230 CO 0.09 -1.19 -0.16 0.68 -0.55 0.00 0.00 176.35 175.22 1lek s VAL 231 N -3.24 2.72 0.55 1.48 -7.23 -1.14 -5.03 120.40 108.50 1lek s VAL 231 Ca 0.13 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 1lek s VAL 231 Cb -0.04 -2.38 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 1lek s VAL 231 CO 0.06 -0.24 1.14 -1.61 -0.31 0.00 0.00 175.10 174.13 1lek s GLU 232 N -3.11 3.31 0.27 4.82 2.02 -1.26 -4.58 118.70 120.17 1lek s GLU 232 Ca 0.26 1.64 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1lek s GLU 232 Cb -0.07 -2.00 -0.13 0.00 0.10 0.00 0.00 34.13 32.03 1lek s GLU 232 CO 0.14 -0.89 1.41 2.41 0.02 0.00 0.00 175.26 178.36 1lek n THR 233 N -1.33 1.19 -4.15 3.63 -1.04 -1.26 -4.88 114.28 106.45 1lek n THR 233 Ca 0.12 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 1lek n THR 233 Cb 0.51 -1.58 -0.12 0.00 -1.82 0.00 0.00 70.33 67.31 1lek n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lek s ARG 234 N -0.75 0.66 0.40 -2.82 1.70 -0.57 -4.97 118.95 112.60 1lek s ARG 234 Ca 0.65 -0.75 -0.25 0.00 -0.47 0.00 0.00 55.73 54.91 1lek s ARG 234 Cb -0.60 -0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 33.14 1lek s ARG 234 CO 0.52 0.12 1.17 -1.25 -1.08 0.00 0.00 175.30 174.78 1lek s PRO 235 N -1.39 4.05 -0.14 3.89 0.04 -1.26 -1.20 135.00 138.99 1lek s PRO 235 Ca -0.05 1.84 0.15 0.00 0.04 0.00 0.00 61.00 62.98 1lek s PRO 235 Cb -0.09 -2.67 0.54 0.00 0.04 0.00 0.00 34.50 32.32 1lek s PRO 235 CO 0.01 -0.32 1.45 0.00 0.04 0.00 0.00 177.00 178.18 1lek n ALA 236 N 0.07 2.95 0.00 8.56 0.00 -0.19 -4.87 120.51 127.03 1lek n ALA 236 Ca 0.04 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1lek n ALA 236 Cb 0.46 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1lek n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lek n GLY 237 N 0.01 1.91 0.13 0.00 0.00 -1.26 -4.83 105.19 101.15 1lek n GLY 237 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1lek n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lek n ASP 238 N 0.00 1.54 0.00 1.61 5.75 -1.26 -4.97 116.55 119.22 1lek n ASP 238 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1lek n ASP 238 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1lek n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lek n GLY 239 N -0.77 0.55 3.90 6.12 0.00 -1.26 -5.06 105.19 108.66 1lek n GLY 239 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1lek n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lek s THR 240 N -2.26 2.28 0.33 2.61 -4.23 -1.26 -4.93 115.64 108.18 1lek s THR 240 Ca 0.00 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1lek s THR 240 Cb 0.00 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 1lek s THR 240 CO 0.00 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 173.77 1lek s PHE 241 N -2.59 2.03 0.17 3.99 0.40 0.04 -1.02 117.98 121.00 1lek s PHE 241 Ca 0.45 -0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 55.75 1lek s PHE 241 Cb -0.03 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1lek s PHE 241 CO 0.27 0.07 0.37 1.14 0.70 0.00 0.00 175.22 177.77 1lek s GLN 242 N -3.86 1.22 0.01 0.44 -2.07 -0.34 -2.64 119.66 112.42 1lek s GLN 242 Ca 0.36 -1.05 -0.28 0.00 -1.82 0.00 0.00 55.36 52.58 1lek s GLN 242 Cb 0.09 0.43 0.09 0.00 -1.09 0.00 0.00 33.01 32.53 1lek s GLN 242 CO 0.16 -0.47 0.81 0.21 -1.32 0.00 0.00 175.29 174.67 1lek s LYS 243 N -3.93 0.93 0.03 9.60 2.20 -0.93 -1.51 119.74 126.13 1lek s LYS 243 Ca 0.14 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1lek s LYS 243 Cb 0.02 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 1lek s LYS 243 CO -0.02 -0.38 0.08 1.67 -0.36 0.00 0.00 175.35 176.34 1lek s TRP 244 N -2.86 0.20 -0.05 4.03 1.48 -1.26 -1.32 118.94 119.15 1lek s TRP 244 Ca 0.02 -0.48 -0.02 0.00 -1.06 0.00 0.00 56.10 54.56 1lek s TRP 244 Cb -0.01 -0.15 0.03 0.00 -1.16 0.00 0.00 33.47 32.19 1lek s TRP 244 CO -0.07 -0.33 0.12 0.00 -4.06 0.00 0.00 176.95 172.61 1lek s ALA 245 N -2.31 -0.20 0.30 2.67 0.00 -0.39 -2.88 121.76 118.94 1lek s ALA 245 Ca -0.08 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.54 1lek s ALA 245 Cb -0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1lek s ALA 245 CO -0.03 -0.14 -0.13 -1.54 0.00 0.00 0.00 175.76 173.92 1lek s SER 246 N 1.02 3.39 -0.06 0.00 1.04 0.21 -0.19 113.70 119.11 1lek s SER 246 Ca -0.08 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.13 1lek s SER 246 Cb -0.11 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.76 1lek s SER 246 CO -0.05 -0.15 0.24 0.54 0.98 0.00 0.00 173.24 174.81 1lek s VAL 247 N -2.69 0.02 -0.27 5.02 0.11 0.10 -0.59 120.40 122.11 1lek s VAL 247 Ca 0.30 -0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.01 1lek s VAL 247 Cb -0.00 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1lek s VAL 247 CO 0.14 -0.11 0.31 -0.69 -3.33 0.00 0.00 175.10 171.42 1lek s VAL 248 N -0.39 5.23 0.24 2.04 1.01 -1.26 -0.56 120.40 126.72 1lek s VAL 248 Ca -0.05 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1lek s VAL 248 Cb -0.03 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1lek s VAL 248 CO 0.01 0.20 -0.13 0.68 0.00 0.00 0.00 175.10 175.86 1lek s VAL 249 N 1.91 1.85 0.19 2.92 -7.23 0.44 -4.97 120.40 115.50 1lek s VAL 249 Ca 0.12 -2.22 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 1lek s VAL 249 Cb -0.16 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1lek s VAL 249 CO 0.10 -0.46 1.39 -2.84 -0.31 0.00 0.00 175.10 172.98 1lek s PRO 250 N -3.65 4.32 0.28 4.82 0.02 -1.26 0.22 135.00 139.75 1lek s PRO 250 Ca 0.26 2.16 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 1lek s PRO 250 Cb 0.00 -3.18 -0.14 0.00 0.02 0.00 0.00 34.50 31.20 1lek s PRO 250 CO 0.10 -0.38 1.21 -0.11 -0.33 0.00 0.00 177.00 177.48 1lek n LEU 251 N 3.04 2.61 0.00 -5.54 7.94 -1.23 -0.70 117.00 123.13 1lek n LEU 251 Ca 0.09 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1lek n LEU 251 Cb 0.41 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1lek n LEU 251 CO 0.59 -0.89 0.00 0.61 -1.11 0.00 0.00 177.39 176.59 1lek n GLY 252 N 1.40 3.04 1.53 -3.96 0.00 -1.26 -4.84 105.19 101.09 1lek n GLY 252 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1lek n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lek n LYS 253 N -2.00 4.15 -0.05 1.61 5.02 0.13 -4.67 118.16 122.35 1lek n LYS 253 Ca 0.00 -3.03 -0.09 0.00 -2.02 0.00 0.00 58.31 53.17 1lek n LYS 253 Cb 0.00 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 32.89 1lek n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1lek h GLU 254 N 3.26 0.21 0.00 1.97 3.07 -1.89 -2.79 114.58 118.42 1lek h GLU 254 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1lek h GLU 254 Cb 1.75 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1lek h GLU 254 CO 0.38 0.14 0.02 1.04 -1.40 0.00 0.00 179.01 179.19 1lek n GLN 255 N -5.00 0.00 0.00 2.33 1.13 -1.26 -1.29 117.38 113.29 1lek n GLN 255 Ca -0.03 0.37 0.13 0.00 -1.94 0.00 0.00 57.00 55.53 1lek n GLN 255 Cb 0.06 -1.52 0.37 0.00 0.11 0.00 0.00 30.24 29.26 1lek n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1lek n TYR 256 N -1.37 0.00 -4.66 1.08 4.02 -1.05 -4.84 117.16 110.34 1lek n TYR 256 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1lek n TYR 256 Cb 0.02 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 38.99 1lek n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1lek s TYR 257 N -2.78 2.90 0.04 -0.72 1.51 -0.41 -4.41 117.35 113.48 1lek s TYR 257 Ca 0.18 -0.11 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1lek s TYR 257 Cb 0.18 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1lek s TYR 257 CO 0.60 0.21 -0.15 0.95 -1.11 0.00 0.00 175.55 176.04 1lek s THR 258 N -0.53 1.23 -0.14 -0.71 -4.23 -0.85 -4.56 115.64 105.84 1lek s THR 258 Ca 0.08 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.47 1lek s THR 258 Cb -0.12 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.58 1lek s THR 258 CO 0.02 0.06 0.20 0.00 -0.54 0.00 0.00 174.62 174.37 1lek s HIS 260 N -0.34 2.70 -0.20 0.00 3.76 0.53 -1.02 115.29 120.72 1lek s HIS 260 Ca 0.14 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1lek s HIS 260 Cb -0.12 -1.73 0.05 0.00 1.11 0.00 0.00 32.58 31.88 1lek s HIS 260 CO 0.03 -0.11 -0.08 0.08 -0.85 0.00 0.00 174.74 173.81 1lek s VAL 261 N -0.06 1.49 -0.19 -0.90 1.01 -0.42 -1.32 120.40 120.01 1lek s VAL 261 Ca -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 1lek s VAL 261 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1lek s VAL 261 CO 0.04 0.11 0.00 -0.31 0.00 0.00 0.00 175.10 174.95 1lek s TYR 262 N 1.45 3.07 0.01 5.22 1.51 0.02 -1.52 117.35 127.10 1lek s TYR 262 Ca -0.02 -0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1lek s TYR 262 Cb -0.16 -2.06 0.05 0.00 -0.11 0.00 0.00 41.96 39.67 1lek s TYR 262 CO -0.08 -0.14 0.49 -1.58 -1.11 0.00 0.00 175.55 173.13 1lek s HIS 263 N 0.79 -0.39 0.53 2.71 2.46 -1.26 -1.61 115.29 118.52 1lek s HIS 263 Ca 0.01 0.53 0.29 0.00 0.47 0.00 0.00 55.06 56.36 1lek s HIS 263 Cb -0.14 0.28 1.44 0.00 -0.13 0.00 0.00 32.58 34.03 1lek s HIS 263 CO 0.02 -0.57 1.93 0.37 -2.47 0.00 0.00 174.74 174.02 1lek h GLN 264 N 3.11 0.01 -0.58 2.88 4.15 -1.94 0.24 115.11 122.98 1lek h GLN 264 Ca -0.30 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1lek h GLN 264 Cb 1.19 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1lek h GLN 264 CO 0.41 0.01 0.00 0.41 -1.93 0.00 0.00 178.83 177.73 1lek n GLY 265 N -1.68 1.79 2.95 2.39 0.00 -1.26 -4.68 105.19 104.70 1lek n GLY 265 Ca 0.15 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1lek n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lek s LEU 266 N -1.28 4.33 0.24 0.99 1.43 0.84 -4.57 118.68 120.66 1lek s LEU 266 Ca 0.36 -2.74 -0.09 0.00 -1.03 0.00 0.00 54.13 50.63 1lek s LEU 266 Cb 0.22 -1.60 0.38 0.00 0.03 0.00 0.00 46.19 45.22 1lek s LEU 266 CO 0.20 -0.28 1.61 -0.65 0.23 0.00 0.00 176.35 177.46 1lek h PRO 267 N 6.84 0.03 -5.46 1.29 0.11 -1.83 -3.36 132.00 129.61 1lek h PRO 267 Ca -0.07 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.38 1lek h PRO 267 Cb 0.93 -0.01 -0.32 0.00 0.11 0.00 0.00 31.00 31.71 1lek h PRO 267 CO 0.63 0.02 -0.87 -1.21 -0.21 0.00 0.00 178.00 176.35 1lek s GLU 268 N -6.20 2.73 0.50 1.05 2.02 -1.26 -5.10 118.70 112.44 1lek s GLU 268 Ca -0.14 -0.83 -0.21 0.00 0.02 0.00 0.00 54.97 53.80 1lek s GLU 268 Cb 0.23 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 32.22 1lek s GLU 268 CO 0.76 0.23 0.83 -2.30 0.02 0.00 0.00 175.26 174.79 1lek n PRO 269 N 3.36 0.94 -2.98 0.39 -0.02 -1.26 -4.95 135.00 130.49 1lek n PRO 269 Ca -0.19 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 1lek n PRO 269 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1lek n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1lek s LEU 270 N -0.31 4.41 -0.10 2.45 1.43 -0.58 -4.88 118.68 121.11 1lek s LEU 270 Ca 0.68 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1lek s LEU 270 Cb -0.50 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.11 1lek s LEU 270 CO 0.54 0.05 -0.08 -0.89 0.23 0.00 0.00 176.35 176.21 1lek s THR 271 N -1.44 0.99 0.15 5.49 2.01 -1.25 -1.30 115.64 120.28 1lek s THR 271 Ca 0.43 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1lek s THR 271 Cb -0.19 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1lek s THR 271 CO 0.23 0.36 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.60 1lek s LEU 272 N 1.57 2.43 0.30 4.42 1.02 -0.19 -4.93 118.68 123.30 1lek s LEU 272 Ca 0.02 -0.85 0.03 0.00 0.02 0.00 0.00 54.13 53.35 1lek s LEU 272 Cb -0.13 -0.69 -0.06 0.00 0.02 0.00 0.00 46.19 45.33 1lek s LEU 272 CO -0.06 -0.09 0.07 -0.13 0.02 0.00 0.00 176.35 176.15 1lek s ARG 273 N -2.80 1.58 0.00 1.70 0.52 -1.26 0.14 118.95 118.82 1lek s ARG 273 Ca 0.13 -1.87 0.29 0.00 -0.52 0.00 0.00 55.73 53.76 1lek s ARG 273 Cb -0.05 -0.67 1.25 0.00 0.52 0.00 0.00 34.95 36.00 1lek s ARG 273 CO 0.05 -0.23 1.86 1.87 0.02 0.00 0.00 175.30 178.87