#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juf s PRO 2 N 0.00 3.39 0.22 1.61 0.04 -1.26 -4.61 135.00 134.39 1juf s PRO 2 Ca 0.00 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.09 1juf s PRO 2 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1juf s PRO 2 CO 0.00 -0.75 0.37 -1.01 0.04 0.00 0.00 177.00 175.66 1juf s HIS 3 N -2.52 0.49 0.19 0.56 3.76 -1.11 -5.00 115.29 111.66 1juf s HIS 3 Ca 0.62 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 1juf s HIS 3 Cb -0.15 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.57 1juf s HIS 3 CO 0.37 -0.86 0.50 -1.54 -0.85 0.00 0.00 174.74 172.37 1juf s SER 4 N -3.02 -0.25 -0.02 1.40 1.04 -1.26 -0.28 113.70 111.30 1juf s SER 4 Ca 0.23 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 1juf s SER 4 Cb 0.02 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1juf s SER 4 CO 0.07 -1.03 0.07 -0.32 0.98 0.00 0.00 173.24 173.00 1juf s MET 5 N -3.87 0.08 -0.00 4.02 1.75 -0.70 -0.74 119.30 119.84 1juf s MET 5 Ca 0.09 0.09 -0.09 0.00 -1.25 0.00 0.00 55.69 54.53 1juf s MET 5 Cb -0.01 0.04 0.01 0.00 2.84 0.00 0.00 34.83 37.71 1juf s MET 5 CO -0.03 -0.01 0.18 0.50 -0.65 0.00 0.00 175.02 175.00 1juf s ARG 6 N 0.02 0.52 -0.14 4.11 6.06 -0.41 -1.87 118.95 127.24 1juf s ARG 6 Ca -0.00 -0.34 0.01 0.00 -2.50 0.00 0.00 55.73 52.90 1juf s ARG 6 Cb -0.01 0.22 0.02 0.00 0.06 0.00 0.00 34.95 35.24 1juf s ARG 6 CO 0.00 -0.13 -0.15 0.71 -2.50 0.00 0.00 175.30 173.23 1juf s TYR 7 N -1.33 2.16 -0.27 5.12 1.51 0.09 0.09 117.35 124.73 1juf s TYR 7 Ca -0.14 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.70 1juf s TYR 7 Cb -0.07 -1.57 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1juf s TYR 7 CO 0.02 -0.61 0.05 -0.06 -1.11 0.00 0.00 175.55 173.83 1juf s PHE 8 N 1.29 3.09 -0.00 2.71 0.40 0.58 -1.88 117.98 124.17 1juf s PHE 8 Ca 0.01 -0.88 0.06 0.00 -0.60 0.00 0.00 56.93 55.52 1juf s PHE 8 Cb -0.14 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1juf s PHE 8 CO -0.08 -0.53 -0.18 -1.21 0.70 0.00 0.00 175.22 173.93 1juf s GLU 9 N 1.51 2.25 -0.02 0.44 2.02 0.10 -0.54 118.70 124.46 1juf s GLU 9 Ca 0.04 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1juf s GLU 9 Cb -0.16 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1juf s GLU 9 CO 0.01 0.58 -0.05 0.99 0.02 0.00 0.00 175.26 176.81 1juf s THR 10 N -0.80 0.46 -0.08 3.63 2.01 0.14 -0.90 115.64 120.10 1juf s THR 10 Ca 0.13 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1juf s THR 10 Cb -0.10 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.00 1juf s THR 10 CO 0.02 0.16 -0.07 0.00 -0.69 0.00 0.00 174.62 174.04 1juf s ALA 11 N 0.22 1.10 -0.14 7.40 0.00 0.39 -0.80 121.76 129.93 1juf s ALA 11 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1juf s ALA 11 Cb -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1juf s ALA 11 CO -0.00 -0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.44 1juf s VAL 12 N 1.35 1.79 0.28 0.00 1.01 -0.41 -0.87 120.40 123.55 1juf s VAL 12 Ca -0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1juf s VAL 12 Cb -0.14 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1juf s VAL 12 CO -0.03 0.50 0.58 -0.94 0.00 0.00 0.00 175.10 175.20 1juf s SER 13 N 1.06 6.52 0.04 3.32 1.04 -0.43 -0.93 113.70 124.33 1juf s SER 13 Ca -0.03 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.27 1juf s SER 13 Cb -0.14 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1juf s SER 13 CO -0.05 -0.17 -0.08 0.00 0.98 0.00 0.00 173.24 173.92 1juf s ARG 14 N -3.30 0.55 0.27 4.02 1.70 -1.26 -3.38 118.95 117.55 1juf s ARG 14 Ca 0.46 -0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 54.64 1juf s ARG 14 Cb -0.11 -0.33 -0.13 0.00 -0.57 0.00 0.00 34.95 33.81 1juf s ARG 14 CO 0.27 0.06 1.35 -2.30 -1.08 0.00 0.00 175.30 173.60 1juf n PRO 15 N 1.43 2.01 0.00 3.89 -0.02 -1.26 -4.71 135.00 136.35 1juf n PRO 15 Ca -0.23 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1juf n PRO 15 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1juf n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1juf n GLY 16 N 1.73 0.28 0.11 -1.23 0.00 -1.26 -4.70 105.19 100.13 1juf n GLY 16 Ca 0.10 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 43.92 1juf n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1juf n LEU 17 N 0.00 0.84 -4.56 0.99 4.77 -1.26 -4.91 117.00 112.86 1juf n LEU 17 Ca 0.00 0.33 -0.50 0.00 -0.03 0.00 0.00 56.01 55.82 1juf n LEU 17 Cb 0.00 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1juf n LEU 17 CO 0.00 -0.12 0.68 -1.84 -1.33 0.00 0.00 177.39 174.78 1juf n GLU 18 N -2.71 1.01 -1.29 3.23 0.28 -1.26 -4.96 120.64 114.94 1juf n GLU 18 Ca -0.02 0.36 -0.31 0.00 -0.16 0.00 0.00 57.16 57.03 1juf n GLU 18 Cb 0.61 -1.84 0.09 0.00 1.43 0.00 0.00 31.44 31.73 1juf n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1juf s GLU 19 N -0.34 2.15 0.88 3.44 0.41 -1.26 -4.57 118.70 119.41 1juf s GLU 19 Ca 0.75 1.07 -0.10 0.00 -0.41 0.00 0.00 54.97 56.27 1juf s GLU 19 Cb -0.89 -1.89 0.12 0.00 -1.78 0.00 0.00 34.13 29.68 1juf s GLU 19 CO 0.52 -1.69 1.12 -2.14 -0.49 0.00 0.00 175.26 172.58 1juf s PRO 20 N -4.93 1.37 -0.18 0.39 0.02 -1.26 -4.72 135.00 125.69 1juf s PRO 20 Ca 0.61 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 1juf s PRO 20 Cb -0.17 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1juf s PRO 20 CO 0.56 -2.31 0.13 0.50 -0.33 0.00 0.00 177.00 175.55 1juf s ARG 21 N -4.75 3.97 -0.15 5.54 3.52 -0.10 -4.89 118.95 122.08 1juf s ARG 21 Ca 0.65 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1juf s ARG 21 Cb -0.20 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1juf s ARG 21 CO 0.58 0.44 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.88 1juf s TYR 22 N -0.05 2.77 -0.04 5.12 5.04 -1.26 -1.29 117.35 127.65 1juf s TYR 22 Ca 0.10 -1.03 0.03 0.00 -2.44 0.00 0.00 57.07 53.72 1juf s TYR 22 Cb -0.11 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.32 1juf s TYR 22 CO -0.00 -0.47 -0.12 0.42 -1.34 0.00 0.00 175.55 174.05 1juf s ILE 23 N 0.78 1.02 -0.07 3.14 1.01 0.02 -0.90 121.20 126.19 1juf s ILE 23 Ca -0.06 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1juf s ILE 23 Cb -0.15 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1juf s ILE 23 CO 0.00 0.31 -0.10 -0.55 0.00 0.00 0.00 174.94 174.61 1juf s SER 24 N 0.31 1.74 -0.07 3.58 0.15 -0.22 0.24 113.70 119.43 1juf s SER 24 Ca -0.07 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.35 1juf s SER 24 Cb -0.11 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1juf s SER 24 CO 0.02 -0.01 -0.18 -0.69 1.20 0.00 0.00 173.24 173.58 1juf s VAL 25 N 0.92 1.55 -0.06 4.45 1.01 0.30 -0.37 120.40 128.19 1juf s VAL 25 Ca -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1juf s VAL 25 Cb -0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1juf s VAL 25 CO 0.01 0.44 0.02 -0.83 0.00 0.00 0.00 175.10 174.74 1juf s GLY 26 N 0.30 1.90 0.04 4.51 0.00 -0.28 -0.30 107.32 113.48 1juf s GLY 26 Ca -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.83 1juf s GLY 26 CO 0.05 -0.62 -0.16 -0.19 0.00 0.00 0.00 173.10 172.18 1juf s TYR 27 N -0.97 1.37 -0.11 1.90 1.51 0.11 -0.38 117.35 120.78 1juf s TYR 27 Ca 0.16 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1juf s TYR 27 Cb -0.11 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1juf s TYR 27 CO 0.05 0.05 -0.10 0.08 -1.11 0.00 0.00 175.55 174.52 1juf s VAL 28 N -0.81 1.15 -1.41 0.71 1.01 -0.42 -1.29 120.40 119.35 1juf s VAL 28 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1juf s VAL 28 Cb -0.08 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1juf s VAL 28 CO 0.01 0.38 0.61 0.47 0.00 0.00 0.00 175.10 176.57 1juf n ASP 29 N 4.60 -1.36 -1.65 3.32 8.00 0.08 -0.84 116.55 128.70 1juf n ASP 29 Ca -0.16 -0.92 -0.21 0.00 0.71 0.00 0.00 54.79 54.22 1juf n ASP 29 Cb 0.50 -3.47 -0.08 0.00 -0.02 0.00 0.00 41.12 38.06 1juf n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1juf n ASN 30 N -2.97 -5.46 -4.27 -2.24 3.02 -1.26 -4.98 115.26 97.10 1juf n ASN 30 Ca -0.23 0.48 -0.35 0.00 -0.03 0.00 0.00 54.58 54.45 1juf n ASN 30 Cb 0.65 -4.81 -0.14 0.00 -0.61 0.00 0.00 39.78 34.87 1juf n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1juf s LYS 31 N -3.83 3.30 0.06 3.52 2.36 -0.02 -5.05 119.74 120.08 1juf s LYS 31 Ca 0.00 -0.67 -0.32 0.00 -2.55 0.00 0.00 55.97 52.43 1juf s LYS 31 Cb 0.00 -2.91 -0.11 0.00 -1.05 0.00 0.00 37.83 33.76 1juf s LYS 31 CO 0.00 -0.19 1.83 -1.91 1.55 0.00 0.00 175.35 176.63 1juf n GLU 32 N 4.72 2.53 0.00 4.03 2.13 -1.26 -1.30 120.64 131.49 1juf n GLU 32 Ca -0.19 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1juf n GLU 32 Cb 0.51 -2.79 0.00 0.00 0.27 0.00 0.00 31.44 29.43 1juf n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1juf n PHE 33 N 5.83 0.00 -3.83 4.31 -1.74 0.48 -4.37 117.46 118.15 1juf n PHE 33 Ca 0.19 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.99 1juf n PHE 33 Cb 0.34 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.27 1juf n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1juf s VAL 34 N -1.57 0.12 -0.18 1.97 -7.23 -1.17 -0.67 120.40 111.66 1juf s VAL 34 Ca 0.00 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 1juf s VAL 34 Cb 0.00 -1.13 0.06 0.00 0.56 0.00 0.00 36.38 35.87 1juf s VAL 34 CO 0.00 -0.54 0.61 -0.60 -0.31 0.00 0.00 175.10 174.27 1juf s ARG 35 N -3.23 0.79 -0.01 4.82 3.52 -0.80 -1.13 118.95 122.91 1juf s ARG 35 Ca 0.00 0.67 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 1juf s ARG 35 Cb 0.02 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.78 1juf s ARG 35 CO -0.08 -0.14 -0.11 0.12 -0.81 0.00 0.00 175.30 174.28 1juf s PHE 36 N -0.09 1.04 -0.16 5.12 2.19 0.50 -1.24 117.98 125.34 1juf s PHE 36 Ca -0.03 -0.21 -0.04 0.00 0.33 0.00 0.00 56.93 56.98 1juf s PHE 36 Cb -0.04 -0.68 0.08 0.00 -1.31 0.00 0.00 43.02 41.07 1juf s PHE 36 CO 0.03 -0.03 0.26 0.34 1.83 0.00 0.00 175.22 177.64 1juf s ASP 37 N -0.20 0.69 0.23 6.13 -1.08 -1.26 -1.06 116.67 120.12 1juf s ASP 37 Ca 0.03 0.28 0.17 0.00 -0.52 0.00 0.00 52.55 52.52 1juf s ASP 37 Cb -0.05 0.62 0.87 0.00 -1.46 0.00 0.00 42.92 42.90 1juf s ASP 37 CO -0.00 -0.27 1.52 -1.54 0.52 0.00 0.00 175.17 175.40 1juf n SER 38 N 5.34 0.43 0.13 -0.34 3.41 -0.08 -1.64 113.62 120.88 1juf n SER 38 Ca -0.06 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 1juf n SER 38 Cb 0.50 -0.75 0.32 0.00 -0.26 0.00 0.00 64.21 64.03 1juf n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1juf h ASP 39 N 0.00 0.00 -4.22 4.04 5.19 -1.96 -3.47 116.42 116.01 1juf h ASP 39 Ca 0.00 -0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 55.87 1juf h ASP 39 Cb 0.07 0.00 0.18 0.00 0.18 0.00 0.00 39.33 39.76 1juf h ASP 39 CO 0.00 0.01 0.33 0.00 -3.12 0.00 0.00 179.24 176.46 1juf s ALA 40 N -3.14 1.86 0.06 3.45 0.00 -0.65 -4.95 121.76 118.39 1juf s ALA 40 Ca 0.09 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 1juf s ALA 40 Cb 0.10 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.59 1juf s ALA 40 CO 0.63 -2.25 1.60 0.93 0.00 0.00 0.00 175.76 176.67 1juf h GLU 41 N -0.94 -0.21 -3.36 0.00 5.08 -1.90 -3.31 114.58 109.95 1juf h GLU 41 Ca -0.46 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.25 1juf h GLU 41 Cb 1.29 0.05 -0.39 0.00 0.50 0.00 0.00 28.75 30.20 1juf h GLU 41 CO 0.46 -0.05 -0.47 1.21 -1.00 0.00 0.00 179.01 179.16 1juf s ASN 42 N -5.10 4.91 -0.07 1.42 3.04 -1.26 -5.07 114.94 112.82 1juf s ASN 42 Ca -0.14 -3.26 -0.30 0.00 0.04 0.00 0.00 52.86 49.21 1juf s ASN 42 Cb 0.05 -1.74 -0.06 0.00 -1.54 0.00 0.00 41.25 37.96 1juf s ASN 42 CO 0.64 -0.23 1.76 -2.84 -3.04 0.00 0.00 177.10 173.39 1juf s PRO 43 N -0.63 4.05 0.11 0.43 0.02 -1.25 -4.97 135.00 132.76 1juf s PRO 43 Ca 0.20 2.21 -0.25 0.00 0.02 0.00 0.00 61.00 63.18 1juf s PRO 43 Cb -0.17 -4.06 0.08 0.00 0.02 0.00 0.00 34.50 30.36 1juf s PRO 43 CO -0.06 -1.02 0.80 -0.98 -0.33 0.00 0.00 177.00 175.41 1juf s ARG 44 N 4.38 1.14 0.33 5.54 1.70 -1.26 -5.03 118.95 125.75 1juf s ARG 44 Ca 0.79 -0.50 -0.28 0.00 -0.47 0.00 0.00 55.73 55.26 1juf s ARG 44 Cb -0.34 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.41 1juf s ARG 44 CO 0.33 -0.51 1.23 0.71 -1.08 0.00 0.00 175.30 175.98 1juf s TYR 45 N -3.43 3.19 0.04 5.89 1.51 -1.26 -4.54 117.35 118.74 1juf s TYR 45 Ca 0.06 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.68 1juf s TYR 45 Cb -0.02 -3.53 -0.02 0.00 -0.11 0.00 0.00 41.96 38.28 1juf s TYR 45 CO -0.06 -1.43 -0.12 -1.21 -1.11 0.00 0.00 175.55 171.61 1juf s GLU 46 N -1.79 0.83 0.44 -0.62 0.41 -0.37 -4.93 118.70 112.67 1juf s GLU 46 Ca 0.49 -0.70 -0.24 0.00 -0.41 0.00 0.00 54.97 54.11 1juf s GLU 46 Cb -0.36 -0.81 -0.08 0.00 -1.78 0.00 0.00 34.13 31.10 1juf s GLU 46 CO 0.47 0.20 1.21 -1.25 -0.49 0.00 0.00 175.26 175.40 1juf s PRO 47 N -1.10 3.82 0.00 0.39 0.04 -1.26 -1.90 135.00 134.98 1juf s PRO 47 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1juf s PRO 47 Cb -0.08 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1juf s PRO 47 CO 0.01 -0.54 0.50 0.54 0.04 0.00 0.00 177.00 177.54 1juf n ARG 48 N -0.27 0.17 -4.18 4.56 5.12 0.15 -4.87 116.66 117.35 1juf n ARG 48 Ca 0.06 -0.60 -0.16 0.00 -1.93 0.00 0.00 57.85 55.22 1juf n ARG 48 Cb 0.46 -0.84 -0.15 0.00 -1.16 0.00 0.00 32.46 30.78 1juf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1juf s ALA 49 N -0.21 0.47 0.26 7.54 0.00 -1.24 -4.74 121.76 123.83 1juf s ALA 49 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1juf s ALA 49 Cb 0.00 -0.13 0.52 0.00 0.00 0.00 0.00 23.12 23.51 1juf s ALA 49 CO 0.00 0.11 1.72 -1.35 0.00 0.00 0.00 175.76 176.23 1juf h PRO 50 N 6.07 0.41 0.00 0.00 0.11 -1.95 -1.93 132.00 134.71 1juf h PRO 50 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1juf h PRO 50 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1juf h PRO 50 CO 0.50 0.27 0.00 -2.67 -0.21 0.00 0.00 178.00 175.89 1juf n TRP 51 N -5.03 0.32 0.91 0.65 4.27 -1.26 -1.34 117.44 115.95 1juf n TRP 51 Ca 0.16 0.16 0.13 0.00 -3.89 0.00 0.00 57.50 54.07 1juf n TRP 51 Cb 0.47 -0.76 0.52 0.00 -1.36 0.00 0.00 31.31 30.18 1juf n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1juf n MET 52 N -1.82 0.06 0.00 -2.67 2.81 -0.72 -3.05 117.12 111.73 1juf n MET 52 Ca -0.00 0.05 0.05 0.00 -1.81 0.00 0.00 57.70 55.98 1juf n MET 52 Cb 0.03 -1.57 0.24 0.00 -0.71 0.00 0.00 33.22 31.21 1juf n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1juf n GLU 53 N -1.68 0.08 0.22 0.03 1.02 -0.45 -1.75 120.64 118.12 1juf n GLU 53 Ca 0.06 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.56 1juf n GLU 53 Cb 0.36 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.72 1juf n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1juf h GLN 54 N 0.00 0.00 -6.81 3.49 4.20 -1.75 -3.45 115.11 110.79 1juf h GLN 54 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1juf h GLN 54 Cb 0.13 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 1juf h GLN 54 CO 0.00 0.20 0.46 -1.21 -0.67 0.00 0.00 178.83 177.61 1juf s GLU 55 N -3.58 4.64 0.74 1.46 0.41 -0.72 -5.06 118.70 116.60 1juf s GLU 55 Ca 0.01 1.76 -0.08 0.00 -0.41 0.00 0.00 54.97 56.26 1juf s GLU 55 Cb 0.10 -3.17 0.07 0.00 -1.78 0.00 0.00 34.13 29.34 1juf s GLU 55 CO 0.63 0.23 1.06 0.20 -0.49 0.00 0.00 175.26 176.90 1juf s GLY 56 N -0.93 1.67 0.41 -1.39 0.00 -1.26 -4.92 107.32 100.89 1juf s GLY 56 Ca 0.45 -0.88 0.19 0.00 0.00 0.00 0.00 44.72 44.47 1juf s GLY 56 CO 0.40 -0.44 1.80 -0.56 0.00 0.00 0.00 173.10 174.29 1juf h PRO 57 N -0.74 0.37 0.00 2.90 0.13 -1.99 -0.19 132.00 132.49 1juf h PRO 57 Ca -0.45 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1juf h PRO 57 Cb 1.32 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1juf h PRO 57 CO 0.61 0.25 -0.16 1.49 -0.23 0.00 0.00 178.00 179.95 1juf h GLU 58 N 0.38 0.00 0.22 0.86 4.81 -1.99 -0.75 114.58 118.12 1juf h GLU 58 Ca 0.56 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.78 1juf h GLU 58 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1juf h GLU 58 CO -0.25 0.16 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.16 1juf h TYR 59 N 0.00 -0.27 -0.92 0.92 5.03 -1.39 -2.19 116.97 118.15 1juf h TYR 59 Ca -0.00 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.32 1juf h TYR 59 Cb 0.47 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 1juf h TYR 59 CO 0.00 0.12 0.61 -1.49 -1.32 0.00 0.00 178.16 176.08 1juf h TRP 60 N -0.85 1.15 -0.42 -3.82 4.06 -1.47 -0.43 115.95 114.18 1juf h TRP 60 Ca -0.03 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1juf h TRP 60 Cb 0.51 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1juf h TRP 60 CO 0.06 0.71 0.02 1.49 -3.56 0.00 0.00 178.44 177.17 1juf h GLU 61 N 1.23 0.72 -0.35 0.49 4.57 -1.19 0.91 114.58 120.95 1juf h GLU 61 Ca 0.34 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1juf h GLU 61 Cb -0.11 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1juf h GLU 61 CO -0.08 0.78 -0.08 -0.09 -1.18 0.00 0.00 179.01 178.36 1juf h ARG 62 N 0.56 0.67 -0.36 1.92 2.43 -0.93 -1.03 114.38 117.64 1juf h ARG 62 Ca 0.12 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1juf h ARG 62 Cb 0.45 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1juf h ARG 62 CO 0.02 0.83 0.10 0.93 -1.51 0.00 0.00 179.97 180.34 1juf h GLU 63 N 0.46 0.57 -0.80 0.20 4.39 -1.06 -1.31 114.58 117.04 1juf h GLU 63 Ca 0.09 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1juf h GLU 63 Cb 0.58 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1juf h GLU 63 CO 0.03 0.60 0.51 1.15 -1.16 0.00 0.00 179.01 180.14 1juf h THR 64 N 0.44 1.11 -0.25 1.13 2.02 -0.72 -0.89 112.91 115.74 1juf h THR 64 Ca 0.12 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1juf h THR 64 Cb 0.27 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1juf h THR 64 CO -0.00 0.18 -0.23 1.56 0.37 0.00 0.00 175.52 177.40 1juf h GLN 65 N 0.97 0.48 -0.54 6.66 1.08 -0.93 -1.73 115.11 121.11 1juf h GLN 65 Ca 0.32 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 1juf h GLN 65 Cb 0.04 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1juf h GLN 65 CO -0.12 0.68 0.04 0.87 -0.95 0.00 0.00 178.83 179.34 1juf h LYS 66 N 0.42 0.89 -0.65 1.46 1.57 -0.38 -2.27 116.57 117.61 1juf h LYS 66 Ca 0.07 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1juf h LYS 66 Cb 0.63 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1juf h LYS 66 CO 0.05 0.86 0.10 0.00 -0.57 0.00 0.00 179.45 179.88 1juf h ALA 67 N 1.21 0.94 -0.75 3.86 0.00 -0.71 -0.29 119.26 123.53 1juf h ALA 67 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1juf h ALA 67 Cb 0.44 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1juf h ALA 67 CO 0.02 0.66 0.43 0.87 0.00 0.00 0.00 179.25 181.23 1juf h LYS 68 N 1.01 1.03 -0.35 0.00 6.56 -1.04 0.95 116.57 124.72 1juf h LYS 68 Ca 0.20 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 1juf h LYS 68 Cb 0.44 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 1juf h LYS 68 CO 0.01 0.74 0.13 0.78 -2.06 0.00 0.00 179.45 179.05 1juf h GLY 69 N 1.03 0.58 0.82 3.86 0.00 -0.96 -2.87 103.07 105.53 1juf h GLY 69 Ca 0.27 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1juf h GLY 69 CO -0.05 0.31 0.51 1.46 0.00 0.00 0.00 176.54 178.77 1juf h GLN 70 N 0.42 0.93 -0.88 4.80 1.08 -0.49 0.52 115.11 121.50 1juf h GLN 70 Ca 0.12 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 1juf h GLN 70 Cb 0.22 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1juf h GLN 70 CO -0.01 0.62 0.57 1.49 -0.95 0.00 0.00 178.83 180.55 1juf h GLU 71 N 0.96 0.96 -0.06 1.46 4.81 -0.70 0.17 114.58 122.18 1juf h GLU 71 Ca 0.33 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.28 1juf h GLU 71 Cb 0.07 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 29.25 1juf h GLU 71 CO -0.13 0.64 -0.84 1.96 -0.73 0.00 0.00 179.01 179.90 1juf h GLN 72 N 0.99 0.69 -0.25 1.92 1.08 -1.02 -2.66 115.11 115.85 1juf h GLN 72 Ca 0.38 -0.65 0.03 0.00 -1.45 0.00 0.00 58.65 56.96 1juf h GLN 72 Cb 0.21 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1juf h GLN 72 CO -0.14 1.25 0.05 2.35 -0.95 0.00 0.00 178.83 181.39 1juf h TRP 73 N 0.36 0.08 -0.59 2.96 7.01 -0.30 -1.56 115.95 123.91 1juf h TRP 73 Ca -0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1juf h TRP 73 Cb 1.50 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.53 1juf h TRP 73 CO 0.10 0.02 0.33 0.74 -2.79 0.00 0.00 178.44 176.85 1juf h PHE 74 N 0.15 0.78 -0.49 2.65 -1.00 -0.72 0.25 116.94 118.56 1juf h PHE 74 Ca 0.12 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 1juf h PHE 74 Cb 0.11 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1juf h PHE 74 CO -0.16 0.54 0.17 0.00 -1.61 0.00 0.00 178.31 177.26 1juf h ARG 75 N 0.82 0.75 -0.20 1.51 3.08 -1.01 0.13 114.38 119.45 1juf h ARG 75 Ca 0.21 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1juf h ARG 75 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1juf h ARG 75 CO -0.04 0.69 0.04 0.28 -1.07 0.00 0.00 179.97 179.87 1juf h VAL 76 N 0.65 1.22 -0.54 2.04 2.07 -0.99 -2.07 116.25 118.62 1juf h VAL 76 Ca 0.16 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1juf h VAL 76 Cb 0.24 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1juf h VAL 76 CO -0.01 0.22 0.15 0.28 0.02 0.00 0.00 177.57 178.23 1juf h SER 77 N 0.14 0.77 -0.49 0.57 0.02 -0.80 0.74 113.55 114.49 1juf h SER 77 Ca 0.06 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1juf h SER 77 Cb 0.29 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1juf h SER 77 CO 0.00 0.74 0.05 -0.07 -1.14 0.00 0.00 176.83 176.42 1juf h LEU 78 N 0.80 0.80 -0.64 5.07 3.38 -0.70 -1.23 115.31 122.80 1juf h LEU 78 Ca 0.18 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1juf h LEU 78 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1juf h LEU 78 CO -0.00 0.88 0.07 -0.09 0.09 0.00 0.00 178.44 179.38 1juf h ARG 79 N 0.70 1.08 -0.48 1.13 2.43 -0.83 -2.48 114.38 115.93 1juf h ARG 79 Ca 0.15 -0.31 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1juf h ARG 79 Cb 0.43 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1juf h ARG 79 CO 0.01 1.01 0.29 -0.91 -1.51 0.00 0.00 179.97 178.87 1juf h ASN 80 N 0.99 0.48 -0.31 -3.80 2.35 -0.55 -2.70 115.58 112.04 1juf h ASN 80 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1juf h ASN 80 Cb 0.48 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1juf h ASN 80 CO 0.02 0.34 0.12 -0.07 -1.65 0.00 0.00 177.43 176.18 1juf h LEU 81 N 0.58 0.48 -1.01 1.61 3.38 -1.01 -2.07 115.31 117.27 1juf h LEU 81 Ca 0.19 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1juf h LEU 81 Cb 0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1juf h LEU 81 CO -0.08 0.47 0.64 -0.07 0.09 0.00 0.00 178.44 179.49 1juf h LEU 82 N 0.53 0.99 -0.20 1.67 3.38 -1.11 -0.73 115.31 119.84 1juf h LEU 82 Ca 0.13 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1juf h LEU 82 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1juf h LEU 82 CO -0.01 0.58 -0.38 1.23 0.09 0.00 0.00 178.44 179.96 1juf h GLY 83 N 1.09 0.67 1.21 0.83 0.00 -1.38 0.19 103.07 105.69 1juf h GLY 83 Ca 0.46 -0.78 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1juf h GLY 83 CO -0.21 0.70 0.53 -0.97 0.00 0.00 0.00 176.54 176.59 1juf h TYR 84 N 0.29 1.01 -0.29 5.60 0.05 -0.89 -2.34 116.97 120.40 1juf h TYR 84 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1juf h TYR 84 Cb 0.98 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1juf h TYR 84 CO 0.09 0.64 0.00 0.66 -1.05 0.00 0.00 178.16 178.50 1juf n TYR 85 N -4.41 0.37 -3.63 4.88 4.01 -0.34 -4.84 117.16 113.20 1juf n TYR 85 Ca 0.09 -0.19 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 1juf n TYR 85 Cb 0.03 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 1juf n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1juf n ASN 86 N 0.97 -1.38 -4.67 7.72 3.02 -0.65 -4.99 115.26 115.27 1juf n ASN 86 Ca 0.18 -0.77 -0.34 0.00 -0.03 0.00 0.00 54.58 53.62 1juf n ASN 86 Cb 0.48 -4.34 -0.09 0.00 -0.61 0.00 0.00 39.78 35.21 1juf n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1juf s GLN 87 N -5.81 2.90 0.94 3.52 -0.21 0.59 -5.04 119.66 116.55 1juf s GLN 87 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 55.36 54.75 1juf s GLN 87 Cb -0.00 -2.73 0.21 0.00 1.00 0.00 0.00 33.01 31.49 1juf s GLN 87 CO 0.79 0.67 1.28 0.43 -2.12 0.00 0.00 175.29 176.34 1juf n SER 88 N 1.90 0.23 -4.47 5.90 7.64 -1.26 -4.64 113.62 118.91 1juf n SER 88 Ca -0.17 -1.54 -0.26 0.00 1.01 0.00 0.00 58.87 57.90 1juf n SER 88 Cb 0.53 -0.97 0.14 0.00 -1.01 0.00 0.00 64.21 62.90 1juf n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1juf s ALA 89 N -3.89 3.02 -0.37 -0.43 0.00 -1.26 -4.51 121.76 114.32 1juf s ALA 89 Ca 0.73 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1juf s ALA 89 Cb -0.02 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1juf s ALA 89 CO 0.51 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1juf n GLY 90 N -3.24 0.38 3.72 0.00 0.00 -1.26 -5.04 105.19 99.75 1juf n GLY 90 Ca 0.14 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1juf n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1juf n GLY 91 N -1.54 3.52 3.36 -0.02 0.00 -1.26 -4.84 105.19 104.40 1juf n GLY 91 Ca -0.04 -2.36 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 1juf n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1juf s SER 92 N -3.85 3.91 0.05 1.61 0.01 -1.26 -4.02 113.70 110.14 1juf s SER 92 Ca 0.02 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1juf s SER 92 Cb 0.00 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1juf s SER 92 CO 0.01 0.17 -0.09 -1.00 0.41 0.00 0.00 173.24 172.75 1juf s HIS 93 N 0.33 0.76 -0.07 2.43 4.02 -1.22 -4.98 115.29 116.56 1juf s HIS 93 Ca -0.12 -0.53 0.03 0.00 1.02 0.00 0.00 55.06 55.47 1juf s HIS 93 Cb -0.16 -0.45 0.01 0.00 -1.02 0.00 0.00 32.58 30.96 1juf s HIS 93 CO 0.06 -0.07 -0.16 0.99 1.02 0.00 0.00 174.74 176.58 1juf s THR 94 N -1.54 1.44 -0.10 1.30 2.01 -1.26 -1.31 115.64 116.18 1juf s THR 94 Ca -0.07 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1juf s THR 94 Cb -0.09 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1juf s THR 94 CO 0.00 0.42 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.90 1juf s LEU 95 N 0.52 2.06 0.17 4.42 2.96 -0.05 -0.80 118.68 127.95 1juf s LEU 95 Ca -0.15 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.28 1juf s LEU 95 Cb -0.16 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1juf s LEU 95 CO 0.05 0.15 -0.14 -1.10 -1.32 0.00 0.00 176.35 174.00 1juf s GLN 96 N 0.37 1.20 -0.09 1.98 -0.21 -0.11 -0.46 119.66 122.34 1juf s GLN 96 Ca -0.19 -1.48 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 1juf s GLN 96 Cb -0.18 -0.98 0.03 0.00 1.00 0.00 0.00 33.01 32.88 1juf s GLN 96 CO 0.09 0.16 0.30 -1.14 -2.12 0.00 0.00 175.29 172.57 1juf s GLN 97 N -3.42 0.41 -0.06 2.91 0.74 -0.08 -1.33 119.66 118.82 1juf s GLN 97 Ca 0.18 0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.91 1juf s GLN 97 Cb -0.01 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.30 1juf s GLN 97 CO 0.05 -0.07 -0.12 -1.64 -0.55 0.00 0.00 175.29 172.96 1juf s MET 98 N -0.13 1.61 0.02 1.67 -1.94 -0.10 -0.72 119.30 119.71 1juf s MET 98 Ca -0.03 -0.41 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1juf s MET 98 Cb -0.03 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.44 1juf s MET 98 CO 0.01 0.05 0.02 -1.12 -0.01 0.00 0.00 175.02 173.98 1juf s SER 99 N 0.56 0.20 0.00 3.03 0.01 -0.79 -0.58 113.70 116.14 1juf s SER 99 Ca -0.12 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1juf s SER 99 Cb -0.15 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1juf s SER 99 CO 0.03 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1juf n GLY 100 N 1.40 -2.42 3.23 3.44 0.00 -0.62 -0.73 105.19 109.49 1juf n GLY 100 Ca -0.23 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 1juf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juf s ASP 102 N -2.56 3.29 -0.02 0.00 1.01 0.15 -1.72 116.67 116.81 1juf s ASP 102 Ca 0.10 -0.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.87 1juf s ASP 102 Cb -0.04 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 1juf s ASP 102 CO 0.02 0.20 0.05 -0.76 0.21 0.00 0.00 175.17 174.89 1juf s LEU 103 N 0.09 3.75 0.00 1.23 1.43 0.61 0.42 118.68 126.22 1juf s LEU 103 Ca -0.10 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1juf s LEU 103 Cb -0.16 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1juf s LEU 103 CO 0.06 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1juf n GLY 104 N 1.46 0.09 0.24 -3.19 0.00 -0.59 -2.76 105.19 100.44 1juf n GLY 104 Ca -0.15 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.10 1juf n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1juf h SER 105 N 0.00 0.00 -0.02 1.61 0.02 -1.90 -0.35 113.55 112.91 1juf h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1juf h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1juf h SER 105 CO 0.00 0.13 0.00 -0.90 -1.14 0.00 0.00 176.83 174.92 1juf n ASP 106 N -4.23 0.49 -1.51 3.07 5.68 -1.26 -4.46 116.55 114.33 1juf n ASP 106 Ca -0.03 -1.26 -0.17 0.00 -0.50 0.00 0.00 54.79 52.84 1juf n ASP 106 Cb 0.21 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 1juf n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1juf n TRP 107 N -0.57 -0.29 -3.89 2.11 7.02 -0.14 -5.01 117.44 116.67 1juf n TRP 107 Ca 0.20 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.46 1juf n TRP 107 Cb 0.18 -3.06 -0.02 0.00 -2.42 0.00 0.00 31.31 25.99 1juf n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1juf s ARG 108 N -3.93 3.45 0.18 -0.99 0.52 -1.26 -4.80 118.95 112.12 1juf s ARG 108 Ca 0.00 -0.68 -0.32 0.00 -0.52 0.00 0.00 55.73 54.20 1juf s ARG 108 Cb 0.00 -2.87 -0.12 0.00 0.52 0.00 0.00 34.95 32.48 1juf s ARG 108 CO 0.00 0.40 1.70 -0.11 0.02 0.00 0.00 175.30 177.31 1juf n LEU 109 N -1.35 3.76 -0.08 2.53 7.94 -1.26 -1.54 117.00 126.99 1juf n LEU 109 Ca -0.08 1.06 -0.10 0.00 -1.11 0.00 0.00 56.01 55.78 1juf n LEU 109 Cb 0.57 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.88 1juf n LEU 109 CO 0.46 0.05 -1.05 -0.11 -1.11 0.00 0.00 177.39 175.63 1juf n LEU 110 N 4.00 1.21 -3.64 -1.96 7.94 0.17 -4.77 117.00 119.95 1juf n LEU 110 Ca 0.17 -0.04 -0.08 0.00 -1.11 0.00 0.00 56.01 54.94 1juf n LEU 110 Cb 0.33 -0.05 -0.07 0.00 0.53 0.00 0.00 43.42 44.16 1juf n LEU 110 CO 0.64 0.56 0.70 -0.60 -1.11 0.00 0.00 177.39 177.58 1juf s ARG 111 N -2.38 0.51 0.03 1.96 3.52 -1.12 -4.99 118.95 116.49 1juf s ARG 111 Ca -0.15 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1juf s ARG 111 Cb 0.05 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1juf s ARG 111 CO 0.55 -0.07 0.09 0.20 -0.81 0.00 0.00 175.30 175.26 1juf s GLY 112 N 0.44 2.03 -0.02 8.12 0.00 -1.26 -0.68 107.32 115.95 1juf s GLY 112 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.84 1juf s GLY 112 CO -0.07 -0.85 -0.12 -0.19 0.00 0.00 0.00 173.10 171.87 1juf s TYR 113 N -1.29 1.11 -0.31 1.90 2.02 0.64 -4.80 117.35 116.62 1juf s TYR 113 Ca 0.26 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 1juf s TYR 113 Cb -0.12 -0.75 0.19 0.00 -0.40 0.00 0.00 41.96 40.88 1juf s TYR 113 CO 0.18 -0.06 0.56 -1.17 -1.57 0.00 0.00 175.55 173.48 1juf s LEU 114 N -0.08 -1.43 0.04 -1.29 2.96 -1.25 -1.59 118.68 116.04 1juf s LEU 114 Ca 0.01 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1juf s LEU 114 Cb -0.07 1.83 -0.03 0.00 0.50 0.00 0.00 46.19 48.42 1juf s LEU 114 CO 0.00 -0.29 -0.06 0.00 -1.32 0.00 0.00 176.35 174.68 1juf s GLN 115 N 2.59 0.51 0.16 1.98 -2.07 0.26 -0.79 119.66 122.29 1juf s GLN 115 Ca 0.11 -0.79 0.09 0.00 -1.82 0.00 0.00 55.36 52.94 1juf s GLN 115 Cb -0.10 -0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.61 1juf s GLN 115 CO -0.23 0.02 -0.19 -0.06 -1.32 0.00 0.00 175.29 173.51 1juf s PHE 116 N -1.68 1.82 0.02 9.60 0.40 0.26 -0.92 117.98 127.48 1juf s PHE 116 Ca -0.09 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1juf s PHE 116 Cb -0.08 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1juf s PHE 116 CO -0.01 0.31 -0.03 0.00 0.70 0.00 0.00 175.22 176.19 1juf s ALA 117 N -1.91 0.19 -0.07 5.36 0.00 -0.44 -1.06 121.76 123.83 1juf s ALA 117 Ca 0.14 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1juf s ALA 117 Cb -0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1juf s ALA 117 CO 0.06 -0.09 -0.14 -0.47 0.00 0.00 0.00 175.76 175.12 1juf s TYR 118 N -1.07 1.64 -1.36 0.00 5.04 -0.20 -0.94 117.35 120.46 1juf s TYR 118 Ca -0.11 -0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 53.92 1juf s TYR 118 Cb -0.07 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 41.07 1juf s TYR 118 CO -0.01 -0.28 0.05 0.39 -1.34 0.00 0.00 175.55 174.36 1juf n GLU 119 N 3.69 -2.20 -0.96 4.97 -0.58 0.02 -1.81 120.64 123.76 1juf n GLU 119 Ca -0.22 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1juf n GLU 119 Cb 0.52 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 1juf n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1juf n GLY 120 N -0.93 0.50 3.26 0.62 0.00 -1.26 -5.01 105.19 102.36 1juf n GLY 120 Ca -0.18 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1juf n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1juf s ARG 121 N -0.31 1.24 0.22 1.61 0.52 -0.75 -5.08 118.95 116.39 1juf s ARG 121 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 1juf s ARG 121 Cb 0.00 -1.41 -0.15 0.00 0.52 0.00 0.00 34.95 33.92 1juf s ARG 121 CO 0.00 0.34 1.19 -0.25 0.02 0.00 0.00 175.30 176.60 1juf n ASP 122 N 1.52 1.72 0.00 0.23 10.43 -1.26 -1.04 116.55 128.15 1juf n ASP 122 Ca -0.18 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.33 1juf n ASP 122 Cb 0.53 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.20 1juf n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1juf n TYR 123 N 1.26 0.00 -3.97 1.24 9.36 -0.22 -4.64 117.16 120.19 1juf n TYR 123 Ca 0.13 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.25 1juf n TYR 123 Cb 0.28 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.89 1juf n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1juf s ILE 124 N -0.64 0.11 -0.05 2.97 2.07 -1.19 -0.46 121.20 124.01 1juf s ILE 124 Ca 0.00 -0.91 -0.09 0.00 -1.41 0.00 0.00 60.65 58.24 1juf s ILE 124 Cb 0.00 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1juf s ILE 124 CO 0.00 -0.50 0.22 0.00 -1.91 0.00 0.00 174.94 172.75 1juf s ALA 125 N -1.53 -0.55 -0.01 1.50 0.00 -0.47 -0.57 121.76 120.13 1juf s ALA 125 Ca -0.15 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 1juf s ALA 125 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1juf s ALA 125 CO -0.01 -0.16 0.87 -1.17 0.00 0.00 0.00 175.76 175.29 1juf s LEU 126 N -0.51 4.37 0.73 0.00 2.96 0.03 -0.94 118.68 125.32 1juf s LEU 126 Ca -0.06 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.25 1juf s LEU 126 Cb -0.04 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.29 1juf s LEU 126 CO 0.01 -0.17 1.07 0.20 -1.32 0.00 0.00 176.35 176.14 1juf s ASN 127 N 0.75 5.08 0.57 3.68 0.01 0.28 -4.57 114.94 120.73 1juf s ASN 127 Ca 0.46 1.61 0.31 0.00 -0.71 0.00 0.00 52.86 54.53 1juf s ASN 127 Cb -0.20 -2.43 1.44 0.00 0.41 0.00 0.00 41.25 40.46 1juf s ASN 127 CO 0.25 -1.64 1.81 -0.08 -1.51 0.00 0.00 177.10 175.93 1juf h GLU 128 N -0.85 0.00 0.00 -0.60 4.81 -1.88 0.47 114.58 116.52 1juf h GLU 128 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1juf h GLU 128 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1juf h GLU 128 CO 0.56 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 1juf n ASP 129 N -3.87 0.00 -2.22 1.04 5.68 -1.26 -4.81 116.55 111.11 1juf n ASP 129 Ca 0.16 0.35 -0.20 0.00 -0.50 0.00 0.00 54.79 54.61 1juf n ASP 129 Cb 0.95 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1juf n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1juf n LEU 130 N -1.43 -1.73 0.00 -2.12 4.77 0.16 -4.78 117.00 111.87 1juf n LEU 130 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1juf n LEU 130 Cb 0.17 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 1juf n LEU 130 CO 0.15 -0.38 -0.21 0.29 -1.33 0.00 0.00 177.39 175.90 1juf n LYS 131 N -2.83 0.88 -4.49 3.23 5.02 -1.26 -4.58 118.16 114.12 1juf n LYS 131 Ca -0.22 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.82 1juf n LYS 131 Cb 0.67 -0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 34.87 1juf n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1juf s THR 132 N -1.42 2.42 0.12 -0.18 -4.23 -1.26 -4.85 115.64 106.23 1juf s THR 132 Ca 0.00 -2.33 0.09 0.00 -1.18 0.00 0.00 61.69 58.27 1juf s THR 132 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1juf s THR 132 CO 0.00 -0.33 -0.16 0.26 -0.54 0.00 0.00 174.62 173.85 1juf s TRP 133 N -2.54 2.57 -0.24 3.99 0.52 -1.26 -0.56 118.94 121.43 1juf s TRP 133 Ca 0.31 -0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.17 1juf s TRP 133 Cb -0.03 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.97 1juf s TRP 133 CO 0.16 0.41 -0.08 0.99 0.02 0.00 0.00 176.95 178.44 1juf s THR 134 N -1.21 2.80 -0.19 2.01 2.01 -0.12 -4.91 115.64 116.03 1juf s THR 134 Ca 0.19 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 1juf s THR 134 Cb -0.10 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1juf s THR 134 CO 0.11 0.27 0.15 0.00 -0.69 0.00 0.00 174.62 174.45 1juf s ALA 135 N 1.33 3.70 -0.46 7.40 0.00 -1.26 -1.37 121.76 131.10 1juf s ALA 135 Ca 0.01 -0.66 0.23 0.00 0.00 0.00 0.00 51.96 51.54 1juf s ALA 135 Cb -0.16 -2.17 0.37 0.00 0.00 0.00 0.00 23.12 21.16 1juf s ALA 135 CO -0.06 0.21 1.58 0.00 0.00 0.00 0.00 175.76 177.49 1juf h ALA 136 N 6.46 0.95 -2.87 0.00 0.00 -1.03 -3.47 119.26 119.31 1juf h ALA 136 Ca -0.43 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1juf h ALA 136 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1juf h ALA 136 CO 0.74 0.00 0.02 -0.40 0.00 0.00 0.00 179.25 179.61 1juf n ASP 137 N -2.96 -0.82 -0.22 0.00 5.68 -1.26 -5.03 116.55 111.94 1juf n ASP 137 Ca 0.04 -1.80 -0.07 0.00 -0.50 0.00 0.00 54.79 52.46 1juf n ASP 137 Cb 0.52 1.43 0.03 0.00 -1.14 0.00 0.00 41.12 41.96 1juf n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1juf h MET 138 N 0.00 0.96 -0.62 0.11 2.86 -1.98 -2.80 114.93 113.46 1juf h MET 138 Ca -0.14 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1juf h MET 138 Cb 0.55 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1juf h MET 138 CO 0.18 0.84 0.40 0.00 1.06 0.00 0.00 176.91 179.39 1juf h ALA 139 N 1.08 0.79 0.00 6.32 0.00 -1.97 -2.40 119.26 123.07 1juf h ALA 139 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1juf h ALA 139 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1juf h ALA 139 CO -0.01 0.19 -0.14 0.00 0.00 0.00 0.00 179.25 179.29 1juf h ALA 140 N 1.24 1.31 0.00 0.00 0.00 -1.82 -0.57 119.26 119.42 1juf h ALA 140 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1juf h ALA 140 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1juf h ALA 140 CO -0.06 0.17 -0.20 1.96 0.00 0.00 0.00 179.25 181.12 1juf h GLN 141 N 0.00 0.00 0.02 0.00 1.08 -1.17 0.15 115.11 115.19 1juf h GLN 141 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1juf h GLN 141 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1juf h GLN 141 CO 0.02 0.20 -0.01 0.82 -0.95 0.00 0.00 178.83 178.91 1juf h ILE 142 N 0.00 1.14 -0.73 2.54 1.08 -1.08 -0.82 117.51 119.65 1juf h ILE 142 Ca -0.00 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1juf h ILE 142 Cb 0.40 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1juf h ILE 142 CO 0.03 0.13 0.42 0.74 -0.69 0.00 0.00 178.15 178.78 1juf h THR 143 N -0.25 1.21 -0.32 -0.27 2.02 -1.36 -1.46 112.91 112.48 1juf h THR 143 Ca -0.00 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1juf h THR 143 Cb 0.24 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 1juf h THR 143 CO 0.01 0.23 0.04 -0.09 0.37 0.00 0.00 175.52 176.08 1juf h ARG 144 N 1.00 0.14 -0.16 6.66 2.43 -0.54 0.17 114.38 124.09 1juf h ARG 144 Ca 0.26 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1juf h ARG 144 Cb -0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1juf h ARG 144 CO -0.05 0.10 0.10 0.00 -1.51 0.00 0.00 179.97 178.61 1juf h ARG 145 N 0.15 0.22 -0.90 0.20 3.08 -0.82 -0.31 114.38 116.00 1juf h ARG 145 Ca 0.15 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.29 1juf h ARG 145 Cb 0.18 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1juf h ARG 145 CO -0.22 0.20 0.54 -0.22 -1.07 0.00 0.00 179.97 179.19 1juf h LYS 146 N 0.19 0.85 0.04 0.04 3.64 -0.80 -1.47 116.57 119.06 1juf h LYS 146 Ca 0.06 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1juf h LYS 146 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1juf h LYS 146 CO -0.01 0.56 -1.04 -1.49 -2.27 0.00 0.00 179.45 175.21 1juf h TRP 147 N 0.88 0.23 -0.53 1.91 4.06 -0.29 -1.36 115.95 120.84 1juf h TRP 147 Ca 0.44 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 61.18 1juf h TRP 147 Cb 0.41 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 1juf h TRP 147 CO -0.04 1.07 0.13 0.93 -3.56 0.00 0.00 178.44 176.97 1juf h GLU 148 N 0.05 0.85 -0.60 0.49 5.08 -0.75 0.46 114.58 120.17 1juf h GLU 148 Ca -0.06 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1juf h GLU 148 Cb 1.75 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1juf h GLU 148 CO 0.15 0.81 0.10 1.96 -1.00 0.00 0.00 179.01 181.03 1juf h GLN 149 N 0.75 1.00 0.00 2.33 4.20 -1.24 -3.01 115.11 119.13 1juf h GLN 149 Ca 0.17 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1juf h GLN 149 Cb 0.34 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1juf h GLN 149 CO 0.00 0.94 -0.02 0.77 -0.67 0.00 0.00 178.83 179.85 1juf h SER 150 N 0.90 0.00 -1.22 1.46 0.02 -1.05 -3.48 113.55 110.18 1juf h SER 150 Ca 0.18 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1juf h SER 150 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1juf h SER 150 CO 0.01 0.00 -0.17 0.61 -1.14 0.00 0.00 176.83 176.15 1juf n GLY 151 N 1.14 0.21 0.29 -3.77 0.00 0.16 -4.94 105.19 98.27 1juf n GLY 151 Ca 0.04 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.58 1juf n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1juf h ALA 152 N 0.29 2.04 -0.28 4.61 0.00 -1.73 -2.52 119.26 121.68 1juf h ALA 152 Ca -0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1juf h ALA 152 Cb 1.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1juf h ALA 152 CO 0.17 -0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.53 1juf h ALA 153 N 1.91 1.83 -0.55 0.00 0.00 -1.89 -1.86 119.26 118.70 1juf h ALA 153 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1juf h ALA 153 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1juf h ALA 153 CO -0.01 0.15 -0.02 0.93 0.00 0.00 0.00 179.25 180.30 1juf h GLU 154 N 0.35 0.96 -0.15 0.00 5.08 -1.72 0.90 114.58 119.99 1juf h GLU 154 Ca 0.10 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1juf h GLU 154 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1juf h GLU 154 CO -0.02 0.96 0.08 1.25 -1.00 0.00 0.00 179.01 180.27 1juf h HIS 155 N 0.88 0.22 -0.08 4.33 2.76 -1.46 -1.71 115.15 120.09 1juf h HIS 155 Ca 0.16 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.22 1juf h HIS 155 Cb 0.54 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1juf h HIS 155 CO 0.03 0.24 -0.40 1.88 -1.30 0.00 0.00 177.93 178.39 1juf h TYR 156 N 0.13 0.21 -0.56 5.26 0.05 -1.20 -2.65 116.97 118.21 1juf h TYR 156 Ca 0.05 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1juf h TYR 156 Cb 0.10 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1juf h TYR 156 CO -0.03 0.55 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.38 1juf h LYS 157 N 0.15 1.00 -0.67 4.88 3.64 -0.65 -0.47 116.57 124.45 1juf h LYS 157 Ca 0.01 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1juf h LYS 157 Cb 0.77 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1juf h LYS 157 CO 0.06 1.01 0.38 0.00 -2.27 0.00 0.00 179.45 178.63 1juf h ALA 158 N 0.95 0.86 -0.07 5.00 0.00 -1.07 -1.58 119.26 123.36 1juf h ALA 158 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1juf h ALA 158 Cb 0.58 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1juf h ALA 158 CO 0.03 0.37 0.01 -0.92 0.00 0.00 0.00 179.25 178.74 1juf h TYR 159 N 0.92 0.13 -0.29 0.00 3.20 -1.27 -1.00 116.97 118.66 1juf h TYR 159 Ca 0.24 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1juf h TYR 159 Cb 0.03 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1juf h TYR 159 CO -0.01 0.37 0.02 -0.07 -1.64 0.00 0.00 178.16 176.83 1juf h LEU 160 N -0.14 0.40 0.00 2.82 3.38 -0.90 -0.33 115.31 120.55 1juf h LEU 160 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1juf h LEU 160 Cb 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1juf h LEU 160 CO 0.00 0.46 -1.02 -0.62 0.09 0.00 0.00 178.44 177.34 1juf n GLU 161 N -4.32 0.32 0.00 1.13 1.02 -0.61 -4.21 120.64 113.97 1juf n GLU 161 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1juf n GLU 161 Cb 0.21 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1juf n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1juf n GLY 162 N 1.35 0.27 0.24 0.62 0.00 -0.38 -4.68 105.19 102.61 1juf n GLY 162 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1juf n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1juf h GLU 163 N 0.00 0.01 -0.54 1.61 4.81 -1.63 -0.62 114.58 118.22 1juf h GLU 163 Ca 0.00 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1juf h GLU 163 Cb 0.00 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1juf h GLU 163 CO 0.00 0.00 0.21 0.00 -0.73 0.00 0.00 179.01 178.50 1juf h VAL 165 N 0.41 1.30 -0.32 0.00 2.07 -1.59 -1.44 116.25 116.68 1juf h VAL 165 Ca 0.26 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.90 1juf h VAL 165 Cb 0.26 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1juf h VAL 165 CO -0.24 0.24 -0.10 -0.08 0.02 0.00 0.00 177.57 177.41 1juf h GLU 166 N -0.42 -0.03 -0.06 1.57 4.81 -0.89 -1.65 114.58 117.92 1juf h GLU 166 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1juf h GLU 166 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1juf h GLU 166 CO 0.00 -0.02 -0.71 -1.49 -0.73 0.00 0.00 179.01 176.06 1juf h TRP 167 N -0.03 0.41 -0.60 0.92 4.06 -1.15 -2.41 115.95 117.14 1juf h TRP 167 Ca 0.16 -0.18 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1juf h TRP 167 Cb 0.27 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 1juf h TRP 167 CO -0.32 0.91 0.39 1.25 -3.56 0.00 0.00 178.44 177.11 1juf h LEU 168 N 0.21 0.66 -0.47 -4.49 5.85 -0.94 0.68 115.31 116.80 1juf h LEU 168 Ca -0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1juf h LEU 168 Cb 1.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1juf h LEU 168 CO 0.12 0.47 0.27 0.45 -0.34 0.00 0.00 178.44 179.41 1juf h HIS 169 N 0.79 0.51 -0.51 1.25 3.86 -1.16 -0.43 115.15 119.45 1juf h HIS 169 Ca 0.23 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1juf h HIS 169 Cb -0.05 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1juf h HIS 169 CO -0.04 0.29 0.28 -0.09 0.86 0.00 0.00 177.93 179.23 1juf h ARG 170 N 0.54 0.71 -0.51 2.45 2.43 -0.90 -2.22 114.38 116.89 1juf h ARG 170 Ca 0.19 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1juf h ARG 170 Cb 0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1juf h ARG 170 CO -0.10 0.55 0.03 1.88 -1.51 0.00 0.00 179.97 180.82 1juf h TYR 171 N 0.68 0.89 -0.42 2.20 0.05 -0.46 -0.91 116.97 119.00 1juf h TYR 171 Ca 0.18 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1juf h TYR 171 Cb 0.04 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1juf h TYR 171 CO -0.02 0.80 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.78 1juf h LEU 172 N 0.79 0.68 -0.20 3.88 3.38 -0.83 -0.04 115.31 122.95 1juf h LEU 172 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1juf h LEU 172 Cb 0.44 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1juf h LEU 172 CO 0.02 0.77 -0.19 0.50 0.09 0.00 0.00 178.44 179.63 1juf h LYS 173 N 0.65 0.49 -0.56 1.13 3.64 -0.90 -1.74 116.57 119.28 1juf h LYS 173 Ca 0.13 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1juf h LYS 173 Cb 0.47 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1juf h LYS 173 CO 0.02 0.83 -0.05 -0.91 -2.27 0.00 0.00 179.45 177.07 1juf h ASN 174 N 0.16 0.99 -0.63 4.20 4.21 -1.01 -3.09 115.58 120.42 1juf h ASN 174 Ca 0.03 -0.30 -0.38 0.00 1.21 0.00 0.00 56.30 56.86 1juf h ASN 174 Cb 0.74 -0.27 -0.22 0.00 -1.12 0.00 0.00 38.32 37.44 1juf h ASN 174 CO 0.05 1.07 0.07 0.61 -1.29 0.00 0.00 177.43 177.94 1juf n GLY 175 N -0.39 5.27 0.17 2.83 0.00 -0.05 -4.83 105.19 108.20 1juf n GLY 175 Ca 0.02 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 1juf n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1juf h ASN 176 N 1.37 -0.56 -0.13 1.61 -0.73 -1.23 0.10 115.58 116.02 1juf h ASN 176 Ca 0.38 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.65 1juf h ASN 176 Cb 1.69 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 40.42 1juf h ASN 176 CO 0.77 -0.21 -0.42 0.00 -0.37 0.00 0.00 177.43 177.21 1juf h ALA 177 N -1.23 -0.58 -0.13 1.57 0.00 -1.87 -3.01 119.26 114.00 1juf h ALA 177 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1juf h ALA 177 Cb 0.28 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1juf h ALA 177 CO -0.09 -0.92 -0.16 1.15 0.00 0.00 0.00 179.25 179.22 1juf h THR 178 N -0.49 0.57 0.00 0.00 2.02 -1.92 -3.05 112.91 110.05 1juf h THR 178 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1juf h THR 178 Cb 0.62 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1juf h THR 178 CO -0.40 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.35 1juf h LEU 179 N -0.20 0.00 -2.60 2.58 3.38 -0.89 -2.36 115.31 115.22 1juf h LEU 179 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1juf h LEU 179 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1juf h LEU 179 CO -0.25 0.08 0.00 -0.11 0.09 0.00 0.00 178.44 178.25 1juf n LEU 180 N -4.18 3.80 -4.76 1.67 7.94 -1.15 -4.98 117.00 115.35 1juf n LEU 180 Ca -0.03 -1.90 -0.35 0.00 -1.11 0.00 0.00 56.01 52.63 1juf n LEU 180 Cb 0.16 -0.47 0.04 0.00 0.53 0.00 0.00 43.42 43.68 1juf n LEU 180 CO 0.33 0.93 0.79 0.00 -1.11 0.00 0.00 177.39 178.33 1juf s ARG 181 N -1.10 2.88 -0.01 1.96 1.70 -0.89 -5.05 118.95 118.44 1juf s ARG 181 Ca 0.47 1.64 0.01 0.00 -0.47 0.00 0.00 55.73 57.37 1juf s ARG 181 Cb 0.25 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.70 1juf s ARG 181 CO 0.31 -1.23 -0.01 0.95 -1.08 0.00 0.00 175.30 174.24 1juf s THR 182 N -1.92 0.16 -0.26 4.99 -4.23 -1.26 -4.52 115.64 108.61 1juf s THR 182 Ca 0.73 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.21 1juf s THR 182 Cb -0.26 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 73.41 1juf s THR 182 CO 0.36 0.09 -0.05 -1.81 -0.54 0.00 0.00 174.62 172.67 1juf s ASP 183 N 0.42 4.42 0.51 3.99 -0.00 0.93 -4.91 116.67 122.03 1juf s ASP 183 Ca -0.04 -0.92 -0.21 0.00 -0.00 0.00 0.00 52.55 51.38 1juf s ASP 183 Cb -0.06 -1.68 -0.06 0.00 -0.00 0.00 0.00 42.92 41.12 1juf s ASP 183 CO -0.01 -0.15 1.18 -0.44 -0.00 0.00 0.00 175.17 175.75 1juf s SER 184 N 1.32 5.83 0.46 0.27 0.01 -1.26 -1.08 113.70 119.26 1juf s SER 184 Ca -0.00 2.33 -0.21 0.00 1.31 0.00 0.00 55.95 59.37 1juf s SER 184 Cb -0.17 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 1juf s SER 184 CO -0.04 -1.15 1.04 -2.16 0.41 0.00 0.00 173.24 171.34 1juf s PRO 185 N -2.96 3.91 -0.26 12.44 0.04 -1.26 -4.41 135.00 142.50 1juf s PRO 185 Ca 0.69 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1juf s PRO 185 Cb -0.29 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1juf s PRO 185 CO 0.34 -0.34 0.15 0.21 0.04 0.00 0.00 177.00 177.39 1juf s LYS 186 N -3.04 3.90 0.24 4.56 2.47 0.33 -4.87 119.74 123.34 1juf s LYS 186 Ca 0.65 -0.35 0.10 0.00 -1.56 0.00 0.00 55.97 54.81 1juf s LYS 186 Cb -0.18 -3.52 -0.05 0.00 -1.46 0.00 0.00 37.83 32.63 1juf s LYS 186 CO 0.22 -0.10 -0.12 0.00 0.16 0.00 0.00 175.35 175.50 1juf s ALA 187 N 1.49 2.90 0.00 3.13 0.00 -1.26 -0.80 121.76 127.23 1juf s ALA 187 Ca 0.07 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.06 1juf s ALA 187 Cb -0.15 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.52 1juf s ALA 187 CO 0.07 0.34 0.87 -3.38 0.00 0.00 0.00 175.76 173.67 1juf s HIS 188 N -2.14 -0.36 -0.05 0.00 -3.43 -0.82 -4.99 115.29 103.51 1juf s HIS 188 Ca 0.28 0.22 0.05 0.00 -0.80 0.00 0.00 55.06 54.81 1juf s HIS 188 Cb -0.07 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 1juf s HIS 188 CO 0.16 -0.56 -0.19 0.08 -2.00 0.00 0.00 174.74 172.23 1juf s VAL 189 N -3.14 2.63 0.14 -5.38 1.01 -1.26 -0.30 120.40 114.09 1juf s VAL 189 Ca 0.05 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1juf s VAL 189 Cb -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1juf s VAL 189 CO -0.09 0.58 -0.19 0.42 0.00 0.00 0.00 175.10 175.82 1juf s THR 190 N -0.57 2.76 -0.16 3.92 -4.23 -0.44 -4.68 115.64 112.24 1juf s THR 190 Ca 0.08 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1juf s THR 190 Cb -0.11 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1juf s THR 190 CO 0.01 0.05 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.78 1juf s HIS 191 N -1.26 2.92 -0.06 3.99 2.46 -1.26 -1.11 115.29 120.97 1juf s HIS 191 Ca 0.19 -0.59 0.04 0.00 0.47 0.00 0.00 55.06 55.17 1juf s HIS 191 Cb -0.10 -1.95 0.00 0.00 -0.13 0.00 0.00 32.58 30.41 1juf s HIS 191 CO 0.10 -0.23 -0.17 -1.01 -2.47 0.00 0.00 174.74 170.97 1juf s HIS 192 N 0.62 1.76 0.19 3.88 3.76 0.20 -4.96 115.29 120.74 1juf s HIS 192 Ca -0.05 -0.58 -0.17 0.00 -0.15 0.00 0.00 55.06 54.11 1juf s HIS 192 Cb -0.15 -1.21 0.16 0.00 1.11 0.00 0.00 32.58 32.49 1juf s HIS 192 CO 0.03 -0.23 1.34 -2.30 -0.85 0.00 0.00 174.74 172.72 1juf n PRO 193 N 3.38 -0.23 0.00 8.40 -0.02 -1.26 0.57 135.00 145.84 1juf n PRO 193 Ca -0.20 1.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 1juf n PRO 193 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1juf n PRO 193 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1juf n ARG 194 N -5.24 0.00 0.00 -0.52 0.00 -1.26 -4.12 116.66 105.53 1juf n ARG 194 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1juf n ARG 194 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.78 1juf n ARG 194 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1juf n SER 195 N 8.24 0.00 -4.55 6.15 3.41 -0.67 -5.02 113.62 121.17 1juf n SER 195 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1juf n SER 195 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1juf n SER 195 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1juf s LYS 196 N 3.92 2.62 0.00 4.33 1.02 -1.26 -3.47 119.74 126.91 1juf s LYS 196 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.54 1juf s LYS 196 Cb 0.00 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.88 1juf s LYS 196 CO 0.00 -2.77 0.00 0.41 -0.92 0.00 0.00 175.35 172.07 1juf n GLY 197 N 5.77 0.83 3.52 -3.33 0.00 -1.26 -4.96 105.19 105.76 1juf n GLY 197 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1juf n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1juf s GLU 198 N -0.31 3.52 0.40 1.61 2.02 -1.23 0.53 118.70 125.24 1juf s GLU 198 Ca 0.00 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.55 1juf s GLU 198 Cb 0.00 -2.87 -0.06 0.00 0.10 0.00 0.00 34.13 31.30 1juf s GLU 198 CO 0.00 0.32 0.09 0.14 0.02 0.00 0.00 175.26 175.84 1juf s VAL 199 N 0.14 2.26 -0.15 2.63 -7.23 -0.33 -1.67 120.40 116.05 1juf s VAL 199 Ca -0.01 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1juf s VAL 199 Cb -0.14 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 1juf s VAL 199 CO 0.03 -0.03 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.81 1juf s THR 200 N -2.62 3.44 -0.18 5.32 2.01 0.19 0.52 115.64 124.32 1juf s THR 200 Ca 0.38 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1juf s THR 200 Cb 0.05 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1juf s THR 200 CO 0.20 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.85 1juf s LEU 201 N 0.43 3.21 -0.16 4.42 1.43 -0.15 0.60 118.68 128.46 1juf s LEU 201 Ca -0.07 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1juf s LEU 201 Cb -0.15 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1juf s LEU 201 CO 0.04 0.11 -0.16 -0.60 0.23 0.00 0.00 176.35 175.97 1juf s ARG 202 N 0.73 2.50 -0.37 1.70 3.52 -0.26 -1.72 118.95 125.05 1juf s ARG 202 Ca -0.01 -0.64 -0.21 0.00 -0.13 0.00 0.00 55.73 54.74 1juf s ARG 202 Cb -0.14 -2.24 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1juf s ARG 202 CO 0.02 -0.23 0.66 0.00 -0.81 0.00 0.00 175.30 174.95 1juf s TRP 204 N 2.79 3.47 -0.18 0.00 0.52 0.59 -1.88 118.94 124.25 1juf s TRP 204 Ca 0.25 0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.77 1juf s TRP 204 Cb -0.14 -2.05 0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1juf s TRP 204 CO 0.16 0.47 -0.19 0.00 0.02 0.00 0.00 176.95 177.41 1juf s ALA 205 N -0.27 2.36 0.12 0.98 0.00 -0.13 -1.94 121.76 122.88 1juf s ALA 205 Ca 0.11 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1juf s ALA 205 Cb -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1juf s ALA 205 CO 0.01 -0.32 -0.11 -0.51 0.00 0.00 0.00 175.76 174.83 1juf s LEU 206 N 1.25 2.44 -1.41 0.00 1.43 0.02 -1.78 118.68 120.63 1juf s LEU 206 Ca 0.04 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1juf s LEU 206 Cb -0.13 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1juf s LEU 206 CO -0.11 -0.26 0.18 0.61 0.23 0.00 0.00 176.35 177.00 1juf n GLY 207 N 0.35 -0.33 3.93 -3.19 0.00 -0.85 -0.51 105.19 104.60 1juf n GLY 207 Ca -0.14 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1juf n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1juf s PHE 208 N -2.93 3.29 -0.28 1.61 -0.12 -1.07 -4.62 117.98 113.85 1juf s PHE 208 Ca 0.09 -0.09 -0.18 0.00 -0.05 0.00 0.00 56.93 56.70 1juf s PHE 208 Cb -0.04 -1.61 0.09 0.00 -0.63 0.00 0.00 43.02 40.83 1juf s PHE 208 CO 0.11 0.37 0.73 -0.47 -0.05 0.00 0.00 175.22 175.91 1juf s TYR 209 N -2.06 -0.96 1.17 3.49 5.04 -0.24 -0.60 117.35 123.18 1juf s TYR 209 Ca 0.36 1.99 -0.20 0.00 -2.44 0.00 0.00 57.07 56.78 1juf s TYR 209 Cb -0.09 0.55 0.30 0.00 0.35 0.00 0.00 41.96 43.07 1juf s TYR 209 CO 0.28 -0.48 0.84 -2.30 -1.34 0.00 0.00 175.55 172.56 1juf n PRO 210 N 3.95 -3.70 0.20 4.97 -0.02 -1.26 -0.05 135.00 139.08 1juf n PRO 210 Ca -0.19 -1.38 0.07 0.00 -2.02 0.00 0.00 63.50 59.98 1juf n PRO 210 Cb 0.58 -1.53 0.35 0.00 -0.02 0.00 0.00 33.50 32.89 1juf n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1juf h ALA 211 N -3.04 0.98 -2.41 3.55 0.00 -1.97 -3.45 119.26 112.92 1juf h ALA 211 Ca -0.35 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 1juf h ALA 211 Cb 1.12 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.90 1juf h ALA 211 CO 0.22 0.42 0.95 -0.25 0.00 0.00 0.00 179.25 180.59 1juf n ASP 212 N -3.47 3.60 -3.50 0.00 8.00 -1.26 -4.96 116.55 114.97 1juf n ASP 212 Ca 0.00 1.05 -0.10 0.00 0.71 0.00 0.00 54.79 56.45 1juf n ASP 212 Cb 0.50 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 1juf n ASP 212 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1juf s ILE 213 N 1.65 0.00 -0.04 0.53 2.07 -1.26 -4.72 121.20 119.43 1juf s ILE 213 Ca 0.80 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 60.03 1juf s ILE 213 Cb -0.59 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.03 1juf s ILE 213 CO 0.37 0.00 0.01 -0.89 -1.91 0.00 0.00 174.94 172.52 1juf s THR 214 N -2.90 0.16 -0.09 4.00 2.01 -0.83 -5.02 115.64 112.98 1juf s THR 214 Ca 0.03 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1juf s THR 214 Cb -0.01 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1juf s THR 214 CO -0.07 0.17 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.15 1juf s LEU 215 N 1.42 2.85 0.01 4.42 1.43 -1.26 -1.06 118.68 126.49 1juf s LEU 215 Ca -0.04 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1juf s LEU 215 Cb -0.13 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1juf s LEU 215 CO -0.03 0.28 -0.02 0.42 0.23 0.00 0.00 176.35 177.24 1juf s THR 216 N -0.33 0.10 -0.10 5.49 -4.23 -0.43 -5.00 115.64 111.13 1juf s THR 216 Ca 0.04 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1juf s THR 216 Cb -0.13 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.55 1juf s THR 216 CO 0.02 -0.14 -0.06 0.26 -0.54 0.00 0.00 174.62 174.17 1juf s TRP 217 N -0.46 2.98 0.03 3.99 0.52 -1.26 -0.35 118.94 124.39 1juf s TRP 217 Ca -0.04 -0.11 0.09 0.00 0.02 0.00 0.00 56.10 56.05 1juf s TRP 217 Cb -0.03 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1juf s TRP 217 CO -0.00 0.19 -0.25 -0.65 0.02 0.00 0.00 176.95 176.26 1juf s GLN 218 N -0.37 1.78 -0.53 4.98 -0.21 0.13 -1.43 119.66 124.00 1juf s GLN 218 Ca 0.06 -1.04 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1juf s GLN 218 Cb -0.12 -1.90 0.09 0.00 1.00 0.00 0.00 33.01 32.08 1juf s GLN 218 CO 0.02 0.50 0.55 -1.17 -2.12 0.00 0.00 175.29 173.07 1juf s LEU 219 N -1.10 5.60 -0.44 2.90 2.96 0.22 -2.10 118.68 126.72 1juf s LEU 219 Ca 0.11 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.61 1juf s LEU 219 Cb -0.10 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1juf s LEU 219 CO 0.01 -0.88 0.00 0.59 -1.32 0.00 0.00 176.35 174.75 1juf n ASN 220 N 5.71 -5.28 0.00 3.68 5.03 -0.61 -1.48 115.26 122.31 1juf n ASN 220 Ca -0.11 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1juf n ASN 220 Cb 0.43 -3.15 0.00 0.00 -1.02 0.00 0.00 39.78 36.04 1juf n ASN 220 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1juf n GLY 221 N -0.11 2.10 3.78 7.41 0.00 -1.26 -5.08 105.19 112.03 1juf n GLY 221 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1juf n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1juf s GLU 222 N -0.12 4.11 0.88 1.61 2.02 -0.55 -4.97 118.70 121.68 1juf s GLU 222 Ca 0.00 0.31 -0.17 0.00 0.02 0.00 0.00 54.97 55.14 1juf s GLU 222 Cb 0.00 -3.34 -0.13 0.00 0.10 0.00 0.00 34.13 30.76 1juf s GLU 222 CO 0.00 0.42 -0.51 0.39 0.02 0.00 0.00 175.26 175.58 1juf n GLU 223 N 2.84 -0.01 -2.94 1.61 -0.58 -1.26 0.72 120.64 121.03 1juf n GLU 223 Ca -0.12 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.50 1juf n GLU 223 Cb 0.52 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 1juf n GLU 223 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1juf n LEU 224 N 2.71 -2.11 -4.34 -4.62 7.94 -0.52 -4.35 117.00 111.71 1juf n LEU 224 Ca 0.01 -3.62 -0.37 0.00 -1.11 0.00 0.00 56.01 50.92 1juf n LEU 224 Cb 0.54 0.73 -0.13 0.00 0.53 0.00 0.00 43.42 45.09 1juf n LEU 224 CO 0.53 1.97 -0.29 -0.89 -1.11 0.00 0.00 177.39 177.60 1juf s THR 225 N 0.29 3.86 0.07 1.96 2.01 -1.26 -4.57 115.64 118.00 1juf s THR 225 Ca 0.32 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1juf s THR 225 Cb 0.12 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1juf s THR 225 CO -0.16 0.13 0.00 1.67 -0.69 0.00 0.00 174.62 175.58 1juf n GLN 226 N 4.85 0.00 -0.75 4.92 7.27 -1.26 -4.95 117.38 127.46 1juf n GLN 226 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 56.90 1juf n GLN 226 Cb 0.48 0.00 0.22 0.00 2.41 0.00 0.00 30.24 33.35 1juf n GLN 226 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1juf n ASP 227 N -2.89 3.06 -4.72 1.69 5.68 -1.26 -5.01 116.55 113.10 1juf n ASP 227 Ca 0.00 -3.53 -0.42 0.00 -0.50 0.00 0.00 54.79 50.34 1juf n ASP 227 Cb 0.00 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.31 1juf n ASP 227 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1juf s MET 228 N -3.13 4.62 -0.25 0.11 1.75 -1.26 -4.75 119.30 116.39 1juf s MET 228 Ca 0.45 1.43 -0.13 0.00 -1.25 0.00 0.00 55.69 56.19 1juf s MET 228 Cb 0.40 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 1juf s MET 228 CO 0.04 0.05 0.29 -2.00 -0.65 0.00 0.00 175.02 172.75 1juf s GLU 229 N 0.60 4.05 0.32 4.11 2.56 -0.12 -4.94 118.70 125.29 1juf s GLU 229 Ca 0.50 -0.07 0.09 0.00 0.00 0.00 0.00 54.97 55.49 1juf s GLU 229 Cb -0.22 -3.60 -0.05 0.00 2.00 0.00 0.00 34.13 32.26 1juf s GLU 229 CO 0.29 -0.12 -0.03 -0.51 -0.56 0.00 0.00 175.26 174.33 1juf s LEU 230 N 1.58 2.94 0.03 2.70 1.43 -1.26 -0.78 118.68 125.31 1juf s LEU 230 Ca 0.12 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1juf s LEU 230 Cb -0.15 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1juf s LEU 230 CO 0.08 -0.17 -0.15 0.54 0.23 0.00 0.00 176.35 176.89 1juf s VAL 231 N -2.50 1.16 0.45 -1.59 0.11 -1.10 -5.01 120.40 111.90 1juf s VAL 231 Ca 0.34 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.17 1juf s VAL 231 Cb -0.01 -1.03 -0.08 0.00 -1.53 0.00 0.00 36.38 33.73 1juf s VAL 231 CO 0.19 0.06 1.35 -0.70 -3.33 0.00 0.00 175.10 172.67 1juf s GLU 232 N -1.03 3.73 0.41 1.54 2.12 -1.26 -4.60 118.70 119.60 1juf s GLU 232 Ca 0.03 2.25 -0.27 0.00 0.36 0.00 0.00 54.97 57.34 1juf s GLU 232 Cb -0.08 -2.62 -0.10 0.00 0.26 0.00 0.00 34.13 31.59 1juf s GLU 232 CO 0.01 -0.72 1.46 0.99 -0.54 0.00 0.00 175.26 176.45 1juf s THR 233 N -1.26 2.06 0.04 -1.70 2.01 -1.26 -4.86 115.64 110.67 1juf s THR 233 Ca 0.61 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1juf s THR 233 Cb -0.40 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1juf s THR 233 CO 0.51 0.01 -0.07 0.00 -0.69 0.00 0.00 174.62 174.38 1juf s ARG 234 N -2.26 0.50 0.15 4.92 1.70 -0.75 -4.97 118.95 118.23 1juf s ARG 234 Ca 0.57 -0.71 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 1juf s ARG 234 Cb -0.45 -0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 33.59 1juf s ARG 234 CO 0.60 0.05 1.11 -1.25 -1.08 0.00 0.00 175.30 174.73 1juf s PRO 235 N -1.48 4.56 0.36 3.89 0.04 -1.26 -0.62 135.00 140.49 1juf s PRO 235 Ca -0.10 1.72 0.24 0.00 0.04 0.00 0.00 61.00 62.90 1juf s PRO 235 Cb -0.09 -3.30 0.51 0.00 0.04 0.00 0.00 34.50 31.65 1juf s PRO 235 CO 0.00 0.01 1.67 0.00 0.04 0.00 0.00 177.00 178.72 1juf h ALA 236 N 5.49 1.00 0.00 8.56 0.00 -1.22 -3.47 119.26 129.63 1juf h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1juf h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1juf h ALA 236 CO 0.74 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1juf n GLY 237 N 1.16 0.21 0.74 0.00 0.00 -1.26 -4.91 105.19 101.13 1juf n GLY 237 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1juf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1juf n ASP 238 N 0.00 3.25 0.00 1.61 5.68 -1.26 -4.93 116.55 120.90 1juf n ASP 238 Ca 0.00 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 1juf n ASP 238 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1juf n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1juf n GLY 239 N 0.23 1.26 3.93 6.12 0.00 -1.26 -5.07 105.19 110.40 1juf n GLY 239 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1juf n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1juf s THR 240 N -2.30 2.87 0.37 2.61 -4.23 -1.26 -4.91 115.64 108.80 1juf s THR 240 Ca 0.00 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 1juf s THR 240 Cb 0.00 -3.02 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1juf s THR 240 CO 0.00 -0.01 0.03 -0.36 -0.54 0.00 0.00 174.62 173.73 1juf s PHE 241 N -2.41 2.53 0.11 3.99 0.40 0.23 -0.69 117.98 122.14 1juf s PHE 241 Ca 0.50 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1juf s PHE 241 Cb -0.06 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1juf s PHE 241 CO 0.30 0.43 -0.04 -0.65 0.70 0.00 0.00 175.22 175.96 1juf s GLN 242 N -3.73 0.87 -0.25 0.44 -0.21 0.21 -2.00 119.66 114.99 1juf s GLN 242 Ca 0.36 -1.37 -0.28 0.00 0.02 0.00 0.00 55.36 54.09 1juf s GLN 242 Cb 0.04 -0.16 0.16 0.00 1.00 0.00 0.00 33.01 34.05 1juf s GLN 242 CO 0.19 -0.06 1.23 0.21 -2.12 0.00 0.00 175.29 174.75 1juf s LYS 243 N -3.87 0.27 0.06 2.91 2.20 -0.73 -1.81 119.74 118.77 1juf s LYS 243 Ca 0.14 0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1juf s LYS 243 Cb 0.06 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1juf s LYS 243 CO -0.03 -0.07 -0.00 1.67 -0.36 0.00 0.00 175.35 176.56 1juf s TRP 244 N -0.65 0.49 -0.04 4.03 1.48 -1.26 -0.95 118.94 122.04 1juf s TRP 244 Ca 0.05 -1.02 -0.02 0.00 -1.06 0.00 0.00 56.10 54.05 1juf s TRP 244 Cb -0.02 -0.36 0.02 0.00 -1.16 0.00 0.00 33.47 31.96 1juf s TRP 244 CO -0.07 -0.40 0.08 0.00 -4.06 0.00 0.00 176.95 172.50 1juf s ALA 245 N -3.92 -0.12 0.18 2.67 0.00 -0.79 -2.73 121.76 117.05 1juf s ALA 245 Ca 0.07 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1juf s ALA 245 Cb 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1juf s ALA 245 CO -0.10 -0.10 -0.02 -1.54 0.00 0.00 0.00 175.76 174.01 1juf s SER 246 N 0.72 1.45 0.01 0.00 1.04 0.04 -0.28 113.70 116.67 1juf s SER 246 Ca -0.06 -1.15 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 1juf s SER 246 Cb -0.08 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1juf s SER 246 CO -0.03 -0.51 0.23 0.68 0.98 0.00 0.00 173.24 174.60 1juf s VAL 247 N -3.55 0.08 -0.32 5.02 -7.23 -0.70 -0.94 120.40 112.77 1juf s VAL 247 Ca 0.23 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 1juf s VAL 247 Cb 0.05 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 1juf s VAL 247 CO 0.04 -0.37 0.50 0.68 -0.31 0.00 0.00 175.10 175.64 1juf s VAL 248 N -1.84 5.05 -0.12 1.32 -7.23 -1.26 -0.98 120.40 115.34 1juf s VAL 248 Ca -0.10 0.51 -0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1juf s VAL 248 Cb -0.04 -3.90 -0.02 0.00 0.56 0.00 0.00 36.38 32.98 1juf s VAL 248 CO 0.00 -0.10 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.91 1juf s VAL 249 N 2.34 3.40 0.09 1.32 1.01 0.18 -4.89 120.40 123.85 1juf s VAL 249 Ca 0.19 -0.55 -0.35 0.00 0.00 0.00 0.00 61.98 61.27 1juf s VAL 249 Cb -0.15 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.66 1juf s VAL 249 CO 0.12 0.54 1.61 -2.65 0.00 0.00 0.00 175.10 174.72 1juf n PRO 250 N 3.13 1.99 -1.57 2.72 -0.02 -1.26 -1.18 135.00 138.80 1juf n PRO 250 Ca -0.18 0.72 -0.49 0.00 -2.02 0.00 0.00 63.50 61.53 1juf n PRO 250 Cb 0.53 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1juf n PRO 250 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1juf n LEU 251 N 4.00 1.42 0.00 2.45 7.94 0.19 -1.87 117.00 131.11 1juf n LEU 251 Ca 0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 1juf n LEU 251 Cb 0.27 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1juf n LEU 251 CO 0.66 -1.34 0.00 0.61 -1.11 0.00 0.00 177.39 176.20 1juf n GLY 252 N 2.03 2.66 1.46 -3.96 0.00 -1.26 -4.85 105.19 101.27 1juf n GLY 252 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1juf n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1juf n LYS 253 N 0.00 1.00 0.09 1.61 5.02 -0.78 -4.47 118.16 120.62 1juf n LYS 253 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1juf n LYS 253 Cb 0.00 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1juf n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1juf h GLU 254 N 0.92 -0.23 0.00 1.97 4.39 -1.89 -3.29 114.58 116.45 1juf h GLU 254 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1juf h GLU 254 Cb 1.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1juf h GLU 254 CO 0.00 -0.15 0.18 1.04 -1.16 0.00 0.00 179.01 178.91 1juf n GLN 255 N -3.05 0.00 0.02 2.33 1.13 -1.26 -0.52 117.38 116.03 1juf n GLN 255 Ca -0.03 0.08 0.12 0.00 -1.94 0.00 0.00 57.00 55.23 1juf n GLN 255 Cb 0.09 -1.68 0.27 0.00 0.11 0.00 0.00 30.24 29.03 1juf n GLN 255 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1juf n ASN 256 N -0.91 0.50 -4.78 1.08 3.02 -1.24 -4.87 115.26 108.06 1juf n ASN 256 Ca 0.00 -0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 1juf n ASN 256 Cb 0.18 0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 1juf n ASN 256 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1juf s TYR 257 N -3.05 3.40 0.03 3.10 2.02 0.32 -1.57 117.35 121.61 1juf s TYR 257 Ca 0.10 0.37 0.05 0.00 -0.37 0.00 0.00 57.07 57.22 1juf s TYR 257 Cb 0.17 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1juf s TYR 257 CO 0.69 0.60 -0.15 0.95 -1.57 0.00 0.00 175.55 176.07 1juf s THR 258 N -0.90 1.15 -0.13 -0.71 -4.23 -0.89 -4.41 115.64 105.52 1juf s THR 258 Ca 0.14 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1juf s THR 258 Cb -0.12 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1juf s THR 258 CO 0.03 0.05 -0.05 0.00 -0.54 0.00 0.00 174.62 174.11 1juf s ARG 260 N -0.03 3.01 -0.15 0.00 3.52 0.53 -1.53 118.95 124.30 1juf s ARG 260 Ca 0.01 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1juf s ARG 260 Cb -0.13 -2.42 -0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1juf s ARG 260 CO 0.03 0.29 -0.15 0.08 -0.81 0.00 0.00 175.30 174.74 1juf s VAL 261 N 0.10 2.69 -0.14 7.11 1.01 -0.52 -1.32 120.40 129.33 1juf s VAL 261 Ca -0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1juf s VAL 261 Cb -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1juf s VAL 261 CO 0.05 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.25 1juf s TYR 262 N 0.74 2.86 -0.17 5.22 1.51 -0.22 -1.02 117.35 126.26 1juf s TYR 262 Ca -0.06 -0.61 -0.22 0.00 -1.01 0.00 0.00 57.07 55.17 1juf s TYR 262 Cb -0.15 -1.88 0.06 0.00 -0.11 0.00 0.00 41.96 39.87 1juf s TYR 262 CO 0.01 -0.21 0.59 -1.58 -1.11 0.00 0.00 175.55 173.25 1juf s HIS 263 N 0.43 -0.61 0.67 2.71 2.46 -1.26 -1.96 115.29 117.72 1juf s HIS 263 Ca -0.08 1.40 0.38 0.00 0.47 0.00 0.00 55.06 57.22 1juf s HIS 263 Cb -0.15 0.25 2.05 0.00 -0.13 0.00 0.00 32.58 34.60 1juf s HIS 263 CO 0.04 -0.37 2.16 0.93 -2.47 0.00 0.00 174.74 175.03 1juf h GLU 264 N 4.69 0.00 0.00 2.88 5.08 -1.95 -1.70 114.58 123.59 1juf h GLU 264 Ca -0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1juf h GLU 264 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1juf h GLU 264 CO 0.20 0.00 -0.45 0.78 -1.00 0.00 0.00 179.01 178.54 1juf h GLY 265 N 0.00 0.00 -4.02 -3.84 0.00 -1.88 -3.47 103.07 89.87 1juf h GLY 265 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1juf h GLY 265 CO -0.00 0.00 0.54 1.08 0.00 0.00 0.00 176.54 178.16 1juf s LEU 266 N -5.93 4.48 0.37 3.11 1.02 -0.64 -4.71 118.68 116.37 1juf s LEU 266 Ca 0.04 2.29 0.19 0.00 0.02 0.00 0.00 54.13 56.67 1juf s LEU 266 Cb 0.07 -3.62 0.62 0.00 0.02 0.00 0.00 46.19 43.28 1juf s LEU 266 CO 0.72 -0.31 1.70 1.55 0.02 0.00 0.00 176.35 180.03 1juf h PRO 267 N 4.60 0.00 -2.54 1.29 0.13 -1.90 -3.45 132.00 130.13 1juf h PRO 267 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1juf h PRO 267 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1juf h PRO 267 CO 0.71 0.37 0.08 -1.83 -0.23 0.00 0.00 178.00 177.10 1juf s GLU 268 N -3.50 1.03 0.57 0.86 -1.05 -1.26 -5.14 118.70 110.21 1juf s GLU 268 Ca 0.01 -0.08 -0.21 0.00 -0.15 0.00 0.00 54.97 54.55 1juf s GLU 268 Cb 0.10 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.22 1juf s GLU 268 CO 0.69 -0.36 1.23 -2.30 0.95 0.00 0.00 175.26 175.47 1juf n PRO 269 N 0.59 1.38 -2.79 -4.83 -0.02 -1.26 -4.94 135.00 123.13 1juf n PRO 269 Ca -0.19 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 1juf n PRO 269 Cb 0.59 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1juf n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1juf s LEU 270 N -3.05 4.30 -0.06 2.45 1.02 -0.19 -4.89 118.68 118.26 1juf s LEU 270 Ca 0.74 1.81 0.00 0.00 0.02 0.00 0.00 54.13 56.70 1juf s LEU 270 Cb -0.42 -4.06 0.02 0.00 0.02 0.00 0.00 46.19 41.75 1juf s LEU 270 CO 0.48 -0.10 -0.04 -0.89 0.02 0.00 0.00 176.35 175.83 1juf s THR 271 N -1.67 0.54 0.28 5.49 2.01 -1.26 -1.43 115.64 119.59 1juf s THR 271 Ca 0.51 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 62.31 1juf s THR 271 Cb -0.18 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1juf s THR 271 CO 0.23 0.25 0.55 -1.48 -0.69 0.00 0.00 174.62 173.47 1juf s LEU 272 N 1.24 0.30 0.31 4.42 2.34 -0.58 -4.98 118.68 121.74 1juf s LEU 272 Ca -0.06 -0.99 -0.14 0.00 0.06 0.00 0.00 54.13 53.00 1juf s LEU 272 Cb -0.14 1.98 0.02 0.00 -0.56 0.00 0.00 46.19 47.49 1juf s LEU 272 CO -0.02 -1.26 0.63 0.00 -1.06 0.00 0.00 176.35 174.65 1juf s ARG 273 N -3.67 1.87 0.14 1.48 1.70 -1.26 0.30 118.95 119.51 1juf s ARG 273 Ca 0.21 -1.32 -0.35 0.00 -0.47 0.00 0.00 55.73 53.81 1juf s ARG 273 Cb -0.02 0.55 -0.15 0.00 -0.57 0.00 0.00 34.95 34.76 1juf s ARG 273 CO 0.11 -0.83 1.39 1.87 -1.08 0.00 0.00 175.30 176.76 1juf n TRP 274 N -0.48 1.78 -1.01 5.89 -0.00 -1.26 -4.73 117.44 117.63 1juf n TRP 274 Ca -0.04 0.51 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 1juf n TRP 274 Cb 0.60 -2.40 0.00 0.00 -0.00 0.00 0.00 31.31 29.51 1juf n TRP 274 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1juf n GLU 275 N 2.63 3.69 -0.32 5.87 4.07 -1.26 -4.79 120.64 130.53 1juf n GLU 275 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 1juf n GLU 275 Cb 0.24 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.62 1juf n GLU 275 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94