#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj1 s TYR 2 N 0.00 3.85 0.01 0.00 5.04 -1.26 -5.05 117.35 119.94 1pj1 s TYR 2 Ca 0.00 1.84 0.01 0.00 -2.44 0.00 0.00 57.07 56.48 1pj1 s TYR 2 Cb 0.00 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1pj1 s TYR 2 CO 0.00 0.35 -0.03 -0.08 -1.34 0.00 0.00 175.55 174.45 1pj1 s THR 3 N -1.38 0.21 -0.87 4.34 -1.32 -1.26 -5.02 115.64 110.33 1pj1 s THR 3 Ca 0.45 -0.40 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 1pj1 s THR 3 Cb -0.22 -0.23 0.21 0.00 -1.51 0.00 0.00 72.50 70.74 1pj1 s THR 3 CO 0.28 -0.13 1.72 0.35 -2.21 0.00 0.00 174.62 174.63 1pj1 n THR 4 N 2.52 0.55 -3.17 5.08 -2.24 -1.26 -4.42 114.28 111.33 1pj1 n THR 4 Ca -0.16 0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1pj1 n THR 4 Cb 0.58 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1pj1 n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pj1 s PHE 5 N -3.07 -1.62 0.16 4.78 5.36 -1.26 -4.89 117.98 117.45 1pj1 s PHE 5 Ca 0.10 0.08 -0.32 0.00 -0.96 0.00 0.00 56.93 55.83 1pj1 s PHE 5 Cb 0.13 0.27 -0.12 0.00 -0.34 0.00 0.00 43.02 42.96 1pj1 s PHE 5 CO 0.43 -1.18 1.77 -1.13 -1.46 0.00 0.00 175.22 173.66 1pj1 n SER 6 N 4.22 3.96 -0.13 6.13 3.41 -1.26 -4.89 113.62 125.06 1pj1 n SER 6 Ca 0.12 1.03 0.12 0.00 -0.26 0.00 0.00 58.87 59.87 1pj1 n SER 6 Cb 0.56 -1.55 0.63 0.00 -0.26 0.00 0.00 64.21 63.59 1pj1 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj1 n GLN 7 N 4.75 1.18 -3.19 4.33 0.00 -1.26 -4.74 117.38 118.45 1pj1 n GLN 7 Ca 0.17 -0.27 -0.39 0.00 0.00 0.00 0.00 57.00 56.51 1pj1 n GLN 7 Cb 0.36 -1.38 -0.06 0.00 0.00 0.00 0.00 30.24 29.15 1pj1 n GLN 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1pj1 s THR 8 N -1.97 5.08 -0.40 -0.39 2.01 -1.26 -5.01 115.64 113.70 1pj1 s THR 8 Ca 0.35 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 1pj1 s THR 8 Cb 0.17 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1pj1 s THR 8 CO 0.28 0.19 1.47 -0.75 -0.69 0.00 0.00 174.62 175.12 1pj1 s LYS 9 N 1.45 3.53 0.18 4.92 2.20 -1.26 -4.98 119.74 125.78 1pj1 s LYS 9 Ca 0.28 1.01 0.08 0.00 -0.36 0.00 0.00 55.97 56.97 1pj1 s LYS 9 Cb -0.16 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 1pj1 s LYS 9 CO 0.11 -1.62 -0.17 0.54 -0.36 0.00 0.00 175.35 173.85 1pj1 s ASN 10 N 4.29 2.64 -0.57 1.43 4.22 -1.26 -5.09 114.94 120.60 1pj1 s ASN 10 Ca 0.64 -0.92 -0.25 0.00 -2.14 0.00 0.00 52.86 50.19 1pj1 s ASN 10 Cb -0.15 -0.15 0.04 0.00 1.28 0.00 0.00 41.25 42.27 1pj1 s ASN 10 CO 0.33 -0.09 0.99 -0.62 -2.04 0.00 0.00 177.10 175.67 1pj1 s ASP 11 N -2.93 6.32 0.02 3.54 -1.08 -1.26 -4.88 116.67 116.40 1pj1 s ASP 11 Ca 0.18 -0.38 0.12 0.00 -0.52 0.00 0.00 52.55 51.96 1pj1 s ASP 11 Cb -0.04 -2.45 0.52 0.00 -1.46 0.00 0.00 42.92 39.49 1pj1 s ASP 11 CO 0.07 -1.31 1.38 0.00 0.52 0.00 0.00 175.17 175.83 1pj1 n GLN 12 N 7.68 0.01 0.21 4.34 6.02 -1.26 -1.78 117.38 132.61 1pj1 n GLN 12 Ca 0.02 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1pj1 n GLN 12 Cb 0.47 -1.53 0.16 0.00 1.02 0.00 0.00 30.24 30.36 1pj1 n GLN 12 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pj1 h LEU 13 N 0.00 0.00 -1.55 1.08 3.38 -1.95 -3.30 115.31 112.97 1pj1 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pj1 h LEU 13 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pj1 h LEU 13 CO 0.00 0.01 -0.10 0.29 0.09 0.00 0.00 178.44 178.74 1pj1 n LYS 14 N -3.09 1.67 -2.29 1.13 5.02 -0.73 -4.76 118.16 115.10 1pj1 n LYS 14 Ca 0.04 -1.47 -0.32 0.00 -2.02 0.00 0.00 58.31 54.53 1pj1 n LYS 14 Cb 0.54 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1pj1 n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pj1 s GLU 15 N -1.75 3.72 0.78 1.97 0.41 -1.22 -5.05 118.70 117.57 1pj1 s GLU 15 Ca 0.21 1.07 -0.12 0.00 -0.41 0.00 0.00 54.97 55.73 1pj1 s GLU 15 Cb 0.16 -2.10 0.06 0.00 -1.78 0.00 0.00 34.13 30.47 1pj1 s GLU 15 CO 0.30 -0.47 1.15 -1.25 -0.49 0.00 0.00 175.26 174.51 1pj1 s PRO 16 N -3.99 2.21 0.18 0.39 0.04 -1.26 -4.91 135.00 127.65 1pj1 s PRO 16 Ca 0.61 0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 1pj1 s PRO 16 Cb -0.12 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1pj1 s PRO 16 CO 0.32 -1.44 1.81 0.52 0.04 0.00 0.00 177.00 178.25 1pj1 h MET 17 N -0.94 0.81 -5.81 4.56 2.86 -1.96 -3.38 114.93 111.07 1pj1 h MET 17 Ca -0.46 -0.08 -0.50 0.00 -2.06 0.00 0.00 59.70 56.61 1pj1 h MET 17 Cb 1.31 -0.17 -0.17 0.00 0.06 0.00 0.00 31.60 32.63 1pj1 h MET 17 CO 0.65 0.59 -0.77 -0.06 1.06 0.00 0.00 176.91 178.38 1pj1 s PHE 18 N -5.95 1.75 0.00 -0.22 0.08 -1.26 -0.46 117.98 111.92 1pj1 s PHE 18 Ca -0.13 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1pj1 s PHE 18 Cb 0.13 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 1pj1 s PHE 18 CO 0.77 0.31 0.00 1.19 -0.10 0.00 0.00 175.22 177.39 1pj1 n PHE 19 N 0.20 0.00 -0.58 0.36 3.72 0.21 -4.84 117.46 116.52 1pj1 n PHE 19 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1pj1 n PHE 19 Cb 0.58 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1pj1 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pj1 n GLY 20 N -0.51 1.35 3.74 1.37 0.00 -1.26 -5.02 105.19 104.86 1pj1 n GLY 20 Ca 0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1pj1 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pj1 s GLN 21 N 2.04 4.57 0.41 1.61 0.74 -1.26 -4.86 119.66 122.91 1pj1 s GLN 21 Ca 0.00 1.77 -0.26 0.00 0.05 0.00 0.00 55.36 56.92 1pj1 s GLN 21 Cb 0.00 -3.26 -0.10 0.00 1.10 0.00 0.00 33.01 30.75 1pj1 s GLN 21 CO 0.00 0.04 1.28 -2.30 -0.55 0.00 0.00 175.29 173.76 1pj1 n PRO 22 N 2.26 1.99 -1.85 1.67 -0.02 -1.26 -4.49 135.00 133.30 1pj1 n PRO 22 Ca 0.03 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1pj1 n PRO 22 Cb 0.46 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1pj1 n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj1 s VAL 23 N -1.18 2.61 0.00 -1.45 1.01 -1.26 -4.48 120.40 115.65 1pj1 s VAL 23 Ca 0.60 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1pj1 s VAL 23 Cb -0.52 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1pj1 s VAL 23 CO 0.59 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 175.24 1pj1 n ASN 24 N 4.73 0.00 -4.72 3.32 0.23 -1.26 -4.58 115.26 112.98 1pj1 n ASN 24 Ca 0.15 0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 53.79 1pj1 n ASN 24 Cb 0.38 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.99 1pj1 n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pj1 s VAL 25 N -0.12 4.40 -0.57 3.53 1.01 -1.26 -4.95 120.40 122.43 1pj1 s VAL 25 Ca 0.00 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 1pj1 s VAL 25 Cb 0.00 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.31 1pj1 s VAL 25 CO 0.00 0.18 0.74 0.00 0.00 0.00 0.00 175.10 176.02 1pj1 s ALA 26 N 0.70 3.34 0.09 5.51 0.00 -1.26 -4.85 121.76 125.29 1pj1 s ALA 26 Ca 0.53 -1.94 0.09 0.00 0.00 0.00 0.00 51.96 50.64 1pj1 s ALA 26 Cb -0.25 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1pj1 s ALA 26 CO 0.30 -2.31 -0.22 -0.98 0.00 0.00 0.00 175.76 172.54 1pj1 s ARG 27 N 2.98 1.29 -0.07 0.00 1.70 -1.26 -5.05 118.95 118.53 1pj1 s ARG 27 Ca 0.16 -1.14 0.11 0.00 -0.47 0.00 0.00 55.73 54.38 1pj1 s ARG 27 Cb -0.21 -1.56 0.19 0.00 -0.57 0.00 0.00 34.95 32.80 1pj1 s ARG 27 CO 0.10 0.38 1.09 0.66 -1.08 0.00 0.00 175.30 176.44 1pj1 n TYR 28 N 1.28 0.00 0.62 5.89 4.01 -1.26 -4.71 117.16 122.99 1pj1 n TYR 28 Ca -0.18 -0.58 0.12 0.00 -0.16 0.00 0.00 57.90 57.09 1pj1 n TYR 28 Cb 0.53 -0.11 0.22 0.00 -0.31 0.00 0.00 39.34 39.66 1pj1 n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pj1 n ASP 29 N -0.69 0.68 -3.89 7.72 5.75 -1.26 -4.93 116.55 119.93 1pj1 n ASP 29 Ca 0.09 0.15 -0.09 0.00 -0.01 0.00 0.00 54.79 54.93 1pj1 n ASP 29 Cb 0.70 0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.78 1pj1 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pj1 s GLN 30 N -3.14 1.45 -0.05 0.11 -2.07 -1.26 -5.18 119.66 109.52 1pj1 s GLN 30 Ca 0.07 -1.08 -0.29 0.00 -1.82 0.00 0.00 55.36 52.24 1pj1 s GLN 30 Cb 0.14 0.48 0.10 0.00 -1.09 0.00 0.00 33.01 32.64 1pj1 s GLN 30 CO 0.70 -0.60 0.82 1.14 -1.32 0.00 0.00 175.29 176.03 1pj1 s GLN 31 N -3.95 0.88 0.12 9.60 0.00 -1.26 -4.89 119.66 120.15 1pj1 s GLN 31 Ca 0.16 -0.01 -0.11 0.00 -0.00 0.00 0.00 55.36 55.39 1pj1 s GLN 31 Cb -0.01 0.41 -0.12 0.00 0.00 0.00 0.00 33.01 33.30 1pj1 s GLN 31 CO 0.03 -0.32 1.34 -0.22 0.00 0.00 0.00 175.29 176.12 1pj1 h LYS 32 N 2.48 0.78 -3.93 9.60 3.64 -1.86 -3.40 116.57 123.88 1pj1 h LYS 32 Ca -0.24 -0.61 -0.59 0.00 -1.27 0.00 0.00 60.65 57.95 1pj1 h LYS 32 Cb 1.20 0.12 -0.39 0.00 -0.41 0.00 0.00 32.23 32.74 1pj1 h LYS 32 CO 0.34 1.22 -0.76 0.71 -2.27 0.00 0.00 179.45 178.69 1pj1 s TYR 33 N -3.82 2.04 -0.23 1.91 2.02 -1.26 -5.00 117.35 113.02 1pj1 s TYR 33 Ca -0.10 -1.74 0.26 0.00 -0.37 0.00 0.00 57.07 55.12 1pj1 s TYR 33 Cb 0.09 -1.70 1.21 0.00 -0.40 0.00 0.00 41.96 41.16 1pj1 s TYR 33 CO 0.90 -0.81 1.79 0.38 -1.57 0.00 0.00 175.55 176.24 1pj1 h ASP 34 N 8.02 0.00 -0.44 2.29 -0.00 -1.98 -2.87 116.42 121.44 1pj1 h ASP 34 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 56.93 1pj1 h ASP 34 Cb 1.05 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.36 1pj1 h ASP 34 CO 0.44 0.00 0.29 -0.29 -0.00 0.00 0.00 179.24 179.68 1pj1 h ILE 35 N 0.00 1.00 -0.02 4.15 6.09 -1.98 -0.16 117.51 126.58 1pj1 h ILE 35 Ca 0.00 -0.14 -0.17 0.00 -1.37 0.00 0.00 64.86 63.18 1pj1 h ILE 35 Cb 0.26 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 1pj1 h ILE 35 CO 0.00 0.07 -0.75 -0.26 -3.07 0.00 0.00 178.15 174.14 1pj1 h PHE 36 N 0.41 0.25 -0.27 2.19 0.04 -1.86 -1.02 116.94 116.67 1pj1 h PHE 36 Ca 0.18 -0.12 -0.18 0.00 2.80 0.00 0.00 57.97 60.66 1pj1 h PHE 36 Cb 0.22 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1pj1 h PHE 36 CO -0.00 0.86 -0.54 1.49 -0.60 0.00 0.00 178.31 179.52 1pj1 h GLU 37 N 0.11 0.80 -0.60 1.51 4.57 -1.43 -1.13 114.58 118.42 1pj1 h GLU 37 Ca -0.02 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 1pj1 h GLU 37 Cb 1.32 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 1pj1 h GLU 37 CO 0.11 1.13 0.16 0.87 -1.18 0.00 0.00 179.01 180.10 1pj1 h LYS 38 N 0.62 0.92 -0.48 1.92 1.57 -0.95 -1.16 116.57 119.00 1pj1 h LYS 38 Ca 0.02 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1pj1 h LYS 38 Cb 1.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1pj1 h LYS 38 CO 0.12 0.81 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.65 1pj1 h LEU 39 N 0.89 0.92 0.06 2.94 3.38 -0.98 -1.27 115.31 121.25 1pj1 h LEU 39 Ca 0.19 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pj1 h LEU 39 Cb 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pj1 h LEU 39 CO -0.00 1.06 -0.04 0.40 0.09 0.00 0.00 178.44 179.95 1pj1 h ILE 40 N 0.77 0.92 -0.43 1.22 2.04 -0.80 -0.40 117.51 120.83 1pj1 h ILE 40 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1pj1 h ILE 40 Cb 0.64 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1pj1 h ILE 40 CO 0.04 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 178.02 1pj1 h GLU 41 N -0.10 0.32 -0.13 2.37 5.08 -1.14 -0.56 114.58 120.42 1pj1 h GLU 41 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pj1 h GLU 41 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pj1 h GLU 41 CO 0.00 0.21 0.05 -0.22 -1.00 0.00 0.00 179.01 178.05 1pj1 h LYS 42 N 0.33 0.20 -0.89 2.33 1.63 -1.03 -2.04 116.57 117.09 1pj1 h LYS 42 Ca 0.20 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1pj1 h LYS 42 Cb 0.18 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1pj1 h LYS 42 CO -0.20 0.32 0.59 0.37 -3.45 0.00 0.00 179.45 177.08 1pj1 h GLN 43 N 0.04 1.14 -0.25 1.90 5.75 -0.81 -1.26 115.11 121.62 1pj1 h GLN 43 Ca 0.04 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 1pj1 h GLN 43 Cb 0.20 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1pj1 h GLN 43 CO -0.00 0.76 -0.17 -0.07 -2.65 0.00 0.00 178.83 176.70 1pj1 h LEU 44 N 1.18 0.42 -0.76 -2.39 3.38 -0.92 -2.05 115.31 114.17 1pj1 h LEU 44 Ca 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pj1 h LEU 44 Cb -0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1pj1 h LEU 44 CO -0.08 0.61 0.00 0.77 0.09 0.00 0.00 178.44 179.83 1pj1 h SER 45 N 0.40 0.00 -0.56 -0.43 4.64 -0.51 -2.89 113.55 114.19 1pj1 h SER 45 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1pj1 h SER 45 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1pj1 h SER 45 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1pj1 n PHE 46 N -2.55 0.75 -1.68 4.77 3.72 -0.78 -4.98 117.46 116.71 1pj1 n PHE 46 Ca 0.02 -0.37 -0.45 0.00 -0.05 0.00 0.00 57.45 56.60 1pj1 n PHE 46 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1pj1 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pj1 n PHE 47 N 1.28 2.31 -4.02 1.38 -0.00 -1.10 -4.99 117.46 112.32 1pj1 n PHE 47 Ca 0.20 0.32 -0.08 0.00 -0.00 0.00 0.00 57.45 57.90 1pj1 n PHE 47 Cb 0.52 -2.52 -0.10 0.00 -0.00 0.00 0.00 39.48 37.38 1pj1 n PHE 47 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1pj1 s PHE 48 N 0.44 0.40 -0.38 -5.13 -0.12 -1.26 -5.13 117.98 106.80 1pj1 s PHE 48 Ca 0.73 -0.87 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1pj1 s PHE 48 Cb -0.64 -0.29 0.09 0.00 -0.63 0.00 0.00 43.02 41.55 1pj1 s PHE 48 CO 0.43 -0.38 0.15 0.50 -0.05 0.00 0.00 175.22 175.88 1pj1 s ARG 49 N -3.44 2.17 0.20 1.99 6.06 -1.26 -5.00 118.95 119.66 1pj1 s ARG 49 Ca 0.02 -1.63 -0.14 0.00 -2.50 0.00 0.00 55.73 51.48 1pj1 s ARG 49 Cb 0.04 -3.49 0.21 0.00 0.06 0.00 0.00 34.95 31.77 1pj1 s ARG 49 CO -0.08 -0.93 1.64 -1.35 -2.50 0.00 0.00 175.30 172.07 1pj1 h PRO 50 N 8.06 0.01 0.00 5.12 0.11 -1.94 -2.09 132.00 141.27 1pj1 h PRO 50 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1pj1 h PRO 50 Cb 1.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pj1 h PRO 50 CO 0.65 0.01 0.10 0.93 -0.21 0.00 0.00 178.00 179.48 1pj1 h GLU 51 N 0.01 0.00 -0.03 1.05 3.07 -1.94 -0.63 114.58 116.12 1pj1 h GLU 51 Ca 0.28 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1pj1 h GLU 51 Cb 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1pj1 h GLU 51 CO -0.58 0.00 -0.68 0.93 -1.40 0.00 0.00 179.01 177.28 1pj1 h GLU 52 N 0.00 0.13 -6.26 2.33 5.08 -1.81 -3.43 114.58 110.61 1pj1 h GLU 52 Ca 0.00 -0.10 -0.55 0.00 -1.00 0.00 0.00 59.36 57.71 1pj1 h GLU 52 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1pj1 h GLU 52 CO 0.00 0.76 1.10 0.08 -1.00 0.00 0.00 179.01 179.95 1pj1 s VAL 53 N -3.55 3.59 -0.03 3.13 1.01 -0.24 -4.95 120.40 119.36 1pj1 s VAL 53 Ca -0.02 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1pj1 s VAL 53 Cb 0.12 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1pj1 s VAL 53 CO 0.79 -0.10 1.36 -0.62 0.00 0.00 0.00 175.10 176.53 1pj1 s ASP 54 N 3.62 6.89 -0.07 3.32 2.15 -1.26 -4.88 116.67 126.43 1pj1 s ASP 54 Ca 0.74 2.02 0.10 0.00 0.43 0.00 0.00 52.55 55.84 1pj1 s ASP 54 Cb -0.32 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 39.90 1pj1 s ASP 54 CO 0.30 -0.70 1.05 1.33 -0.17 0.00 0.00 175.17 176.97 1pj1 n VAL 55 N 4.76 1.17 -0.18 1.11 0.24 -1.26 -4.40 118.33 119.76 1pj1 n VAL 55 Ca 0.13 -1.38 -0.03 0.00 -2.04 0.00 0.00 64.34 61.02 1pj1 n VAL 55 Cb 0.44 0.12 0.17 0.00 -1.47 0.00 0.00 33.84 33.10 1pj1 n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1pj1 h SER 56 N 0.00 0.87 0.51 -1.34 4.64 -1.91 -1.44 113.55 114.88 1pj1 h SER 56 Ca 0.00 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1pj1 h SER 56 Cb 1.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1pj1 h SER 56 CO 0.00 0.79 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.47 1pj1 h ARG 57 N 0.92 0.00 -0.39 4.77 1.12 -1.97 -2.73 114.38 116.10 1pj1 h ARG 57 Ca 0.21 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.99 1pj1 h ARG 57 Cb 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 1pj1 h ARG 57 CO -0.02 0.19 -0.14 -0.44 -3.11 0.00 0.00 179.97 176.45 1pj1 h ASP 58 N 0.00 0.71 -0.23 -3.80 5.19 -1.60 -2.41 116.42 114.28 1pj1 h ASP 58 Ca -0.00 -0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1pj1 h ASP 58 Cb 0.49 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1pj1 h ASP 58 CO 0.02 0.86 0.07 -0.09 -3.12 0.00 0.00 179.24 176.99 1pj1 h ARG 59 N 0.64 0.17 -0.02 3.56 2.43 -1.43 0.80 114.38 120.54 1pj1 h ARG 59 Ca 0.11 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1pj1 h ARG 59 Cb 0.61 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1pj1 h ARG 59 CO 0.04 0.12 -0.05 0.82 -1.51 0.00 0.00 179.97 179.39 1pj1 h ILE 60 N 0.18 0.86 -0.17 1.20 2.04 -1.60 -1.44 117.51 118.59 1pj1 h ILE 60 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1pj1 h ILE 60 Cb 0.07 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1pj1 h ILE 60 CO -0.11 0.00 -0.08 0.44 0.00 0.00 0.00 178.15 178.40 1pj1 h ASP 61 N -0.08 -0.27 -0.16 1.72 3.32 -1.09 -1.26 116.42 118.60 1pj1 h ASP 61 Ca 0.03 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1pj1 h ASP 61 Cb 0.12 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1pj1 h ASP 61 CO -0.07 -0.11 -0.05 0.22 -1.72 0.00 0.00 179.24 177.52 1pj1 h TYR 62 N -0.07 -0.11 -0.60 4.55 3.20 -0.63 -0.73 116.97 122.59 1pj1 h TYR 62 Ca 0.09 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1pj1 h TYR 62 Cb 0.20 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1pj1 h TYR 62 CO -0.23 -0.08 0.23 -0.56 -1.64 0.00 0.00 178.16 175.87 1pj1 h GLN 63 N -0.02 0.90 0.00 1.82 3.07 -1.09 -1.59 115.11 118.20 1pj1 h GLN 63 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.65 1pj1 h GLN 63 Cb 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1pj1 h GLN 63 CO -0.17 0.78 0.00 0.00 0.09 0.00 0.00 178.83 179.53 1pj1 n ALA 64 N -2.37 2.48 -1.75 0.06 0.00 -0.49 -4.81 120.51 113.63 1pj1 n ALA 64 Ca 0.03 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1pj1 n ALA 64 Cb 0.18 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1pj1 n ALA 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pj1 s LEU 65 N -1.89 4.63 0.29 0.00 2.96 -0.30 -4.99 118.68 119.38 1pj1 s LEU 65 Ca 0.36 1.99 -0.30 0.00 -0.22 0.00 0.00 54.13 55.96 1pj1 s LEU 65 Cb 0.17 -3.62 -0.12 0.00 0.50 0.00 0.00 46.19 43.11 1pj1 s LEU 65 CO 0.28 0.12 1.50 -2.65 -1.32 0.00 0.00 176.35 174.27 1pj1 n PRO 66 N 1.44 2.45 -0.30 0.98 -0.02 -1.26 -4.68 135.00 133.60 1pj1 n PRO 66 Ca -0.02 0.87 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1pj1 n PRO 66 Cb 0.47 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 1pj1 n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pj1 n GLU 67 N 1.75 -0.31 0.14 -0.52 1.02 -1.26 0.69 120.64 122.15 1pj1 n GLU 67 Ca 0.08 1.16 0.16 0.00 -0.02 0.00 0.00 57.16 58.54 1pj1 n GLU 67 Cb 0.35 -1.70 0.72 0.00 -0.02 0.00 0.00 31.44 30.79 1pj1 n GLU 67 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1pj1 h HIS 68 N 0.00 0.00 0.00 -0.32 2.07 -1.90 0.22 115.15 115.22 1pj1 h HIS 68 Ca 0.11 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.50 1pj1 h HIS 68 Cb 0.29 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.25 1pj1 h HIS 68 CO -0.81 0.00 -0.64 0.93 -3.07 0.00 0.00 177.93 174.34 1pj1 h GLU 69 N 0.00 0.00 -0.27 5.12 5.08 -0.07 -2.10 114.58 122.34 1pj1 h GLU 69 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 1pj1 h GLU 69 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pj1 h GLU 69 CO -0.00 0.64 -0.57 0.87 -1.00 0.00 0.00 179.01 178.94 1pj1 h LYS 70 N 0.00 0.84 -0.71 2.33 1.57 0.68 -1.62 116.57 119.66 1pj1 h LYS 70 Ca -0.01 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1pj1 h LYS 70 Cb 1.32 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 1pj1 h LYS 70 CO 0.08 1.18 0.38 1.25 -0.57 0.00 0.00 179.45 181.77 1pj1 h HIS 71 N 0.64 0.98 -0.10 -1.35 2.76 -1.07 0.31 115.15 117.32 1pj1 h HIS 71 Ca 0.01 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1pj1 h HIS 71 Cb 1.18 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1pj1 h HIS 71 CO 0.07 0.70 -0.02 0.82 -1.30 0.00 0.00 177.93 178.20 1pj1 h ILE 72 N 0.97 1.28 0.08 6.26 2.04 -1.29 -1.56 117.51 125.29 1pj1 h ILE 72 Ca 0.25 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1pj1 h ILE 72 Cb 0.05 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1pj1 h ILE 72 CO -0.04 0.26 -0.04 0.15 0.00 0.00 0.00 178.15 178.48 1pj1 h PHE 73 N -0.13 -0.10 -0.58 1.37 3.57 -1.14 -2.42 116.94 117.51 1pj1 h PHE 73 Ca 0.03 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1pj1 h PHE 73 Cb 0.41 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1pj1 h PHE 73 CO 0.05 -0.00 0.00 0.97 -2.23 0.00 0.00 178.31 177.09 1pj1 h ILE 74 N -0.17 1.26 -0.47 1.41 6.09 -1.00 -1.50 117.51 123.13 1pj1 h ILE 74 Ca -0.01 -1.12 -0.02 0.00 -1.37 0.00 0.00 64.86 62.34 1pj1 h ILE 74 Cb 0.14 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 1pj1 h ILE 74 CO 0.02 0.40 0.20 0.28 -3.07 0.00 0.00 178.15 175.98 1pj1 h SER 75 N 0.91 0.63 -0.65 2.19 0.02 -1.26 -0.13 113.55 115.27 1pj1 h SER 75 Ca 0.17 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1pj1 h SER 75 Cb 0.53 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1pj1 h SER 75 CO 0.03 0.61 0.22 -1.13 -1.14 0.00 0.00 176.83 175.42 1pj1 h ASN 76 N 0.61 0.93 -0.51 3.07 -1.24 -1.31 -2.42 115.58 114.71 1pj1 h ASN 76 Ca 0.16 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 1pj1 h ASN 76 Cb 0.17 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1pj1 h ASN 76 CO -0.02 0.88 0.22 0.25 -1.29 0.00 0.00 177.43 177.48 1pj1 h LEU 77 N 0.94 0.69 -1.14 0.34 5.85 -0.92 -2.01 115.31 119.05 1pj1 h LEU 77 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1pj1 h LEU 77 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1pj1 h LEU 77 CO -0.01 0.65 0.11 0.11 -0.34 0.00 0.00 178.44 178.97 1pj1 h LYS 78 N 0.68 0.72 -0.28 1.25 1.57 -0.83 -0.94 116.57 118.75 1pj1 h LYS 78 Ca 0.17 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1pj1 h LYS 78 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pj1 h LYS 78 CO -0.02 0.66 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.44 1pj1 h TYR 79 N 0.70 0.69 -0.70 -1.35 3.20 -1.20 -1.73 116.97 116.58 1pj1 h TYR 79 Ca 0.16 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1pj1 h TYR 79 Cb 0.27 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1pj1 h TYR 79 CO 0.01 0.85 0.44 1.96 -1.64 0.00 0.00 178.16 179.78 1pj1 h GLN 80 N 0.33 0.84 -0.78 1.82 4.20 -1.06 -1.06 115.11 119.40 1pj1 h GLN 80 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1pj1 h GLN 80 Cb 0.68 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1pj1 h GLN 80 CO 0.04 0.55 0.41 1.15 -0.67 0.00 0.00 178.83 180.32 1pj1 h THR 81 N 0.86 1.24 0.09 -0.54 2.02 -1.04 -1.10 112.91 114.45 1pj1 h THR 81 Ca 0.28 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1pj1 h THR 81 Cb 0.01 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1pj1 h THR 81 CO -0.10 0.27 -0.05 0.25 0.37 0.00 0.00 175.52 176.26 1pj1 h LEU 82 N 1.10 -0.11 -1.19 2.58 5.85 -0.48 -1.46 115.31 121.61 1pj1 h LEU 82 Ca 0.27 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1pj1 h LEU 82 Cb 0.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1pj1 h LEU 82 CO -0.04 0.05 0.50 -0.07 -0.34 0.00 0.00 178.44 178.54 1pj1 h LEU 83 N -0.26 0.91 -0.58 2.25 3.38 -0.87 -1.98 115.31 118.16 1pj1 h LEU 83 Ca -0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1pj1 h LEU 83 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pj1 h LEU 83 CO 0.02 0.68 -0.40 -0.33 0.09 0.00 0.00 178.44 178.50 1pj1 h GLU 84 N 1.07 0.68 -0.69 1.13 4.39 -1.10 0.99 114.58 121.04 1pj1 h GLU 84 Ca 0.28 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1pj1 h GLU 84 Cb -0.09 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1pj1 h GLU 84 CO -0.06 0.96 0.43 0.77 -1.16 0.00 0.00 179.01 179.96 1pj1 h SER 85 N 0.56 0.82 -0.18 1.42 0.02 -0.78 0.68 113.55 116.10 1pj1 h SER 85 Ca 0.05 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1pj1 h SER 85 Cb 0.93 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1pj1 h SER 85 CO 0.08 0.63 -0.18 0.40 -1.14 0.00 0.00 176.83 176.62 1pj1 h ILE 86 N 0.94 1.33 0.00 3.27 2.04 -1.17 -3.21 117.51 120.71 1pj1 h ILE 86 Ca 0.25 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1pj1 h ILE 86 Cb -0.06 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1pj1 h ILE 86 CO -0.05 0.40 0.00 1.56 0.00 0.00 0.00 178.15 180.06 1pj1 h GLN 87 N 0.10 0.00 -0.00 2.37 1.08 -0.55 -1.12 115.11 116.99 1pj1 h GLN 87 Ca 0.03 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.07 1pj1 h GLN 87 Cb 0.72 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 1pj1 h GLN 87 CO 0.04 0.00 -0.75 0.78 -0.95 0.00 0.00 178.83 177.96 1pj1 h GLY 88 N 2.51 0.01 0.00 3.46 0.00 -0.87 -3.39 103.07 104.79 1pj1 h GLY 88 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1pj1 h GLY 88 CO 0.00 0.01 -1.82 -0.96 0.00 0.00 0.00 176.54 173.77 1pj1 n ARG 89 N -3.66 1.18 -0.14 4.80 1.85 -1.12 -4.67 116.66 114.89 1pj1 n ARG 89 Ca -0.01 0.04 -0.06 0.00 -1.00 0.00 0.00 57.85 56.82 1pj1 n ARG 89 Cb 0.72 -1.30 0.02 0.00 -1.05 0.00 0.00 32.46 30.86 1pj1 n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1pj1 h SER 90 N 0.00 0.42 -0.98 2.89 0.02 -1.39 -1.89 113.55 112.62 1pj1 h SER 90 Ca -0.32 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1pj1 h SER 90 Cb 1.61 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 64.00 1pj1 h SER 90 CO -0.02 0.30 0.62 -0.65 -1.14 0.00 0.00 176.83 175.94 1pj1 h PRO 91 N 0.52 1.01 0.15 3.45 0.11 -1.81 0.18 132.00 135.61 1pj1 h PRO 91 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1pj1 h PRO 91 Cb 0.02 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1pj1 h PRO 91 CO -0.09 0.67 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.38 1pj1 h ASN 92 N 1.04 -0.18 -0.41 -2.05 2.35 -1.77 0.41 115.58 114.97 1pj1 h ASN 92 Ca 0.45 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1pj1 h ASN 92 Cb 0.35 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1pj1 h ASN 92 CO -0.21 0.24 -0.12 0.58 -1.65 0.00 0.00 177.43 176.27 1pj1 h VAL 93 N -0.63 1.26 0.05 2.81 2.07 -1.12 -2.75 116.25 117.95 1pj1 h VAL 93 Ca -0.02 -1.23 -0.31 0.00 0.82 0.00 0.00 66.70 65.96 1pj1 h VAL 93 Cb 0.47 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1pj1 h VAL 93 CO 0.03 0.42 -1.76 0.00 0.02 0.00 0.00 177.57 176.29 1pj1 h ALA 94 N 1.08 0.61 0.01 1.67 0.00 -0.74 -3.43 119.26 118.46 1pj1 h ALA 94 Ca 0.12 -1.40 -0.39 0.00 0.00 0.00 0.00 54.91 53.24 1pj1 h ALA 94 Cb 0.64 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1pj1 h ALA 94 CO 0.04 1.45 -2.44 1.28 0.00 0.00 0.00 179.25 179.59 1pj1 n LEU 95 N -3.23 2.86 -0.26 0.00 4.77 0.12 -4.61 117.00 116.66 1pj1 n LEU 95 Ca -0.21 -0.07 0.03 0.00 -0.03 0.00 0.00 56.01 55.73 1pj1 n LEU 95 Cb 1.05 -0.92 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1pj1 n LEU 95 CO 0.45 0.90 0.76 -0.07 -1.33 0.00 0.00 177.39 178.10 1pj1 h LEU 96 N -0.08 -0.54 -0.32 2.23 4.07 -1.37 0.93 115.31 120.23 1pj1 h LEU 96 Ca -0.58 0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1pj1 h LEU 96 Cb 1.88 0.41 0.00 0.00 1.08 0.00 0.00 40.66 44.03 1pj1 h LEU 96 CO -0.10 -0.22 0.00 -2.65 -1.08 0.00 0.00 178.44 174.39 1pj1 n PRO 97 N -5.43 0.04 0.00 1.13 -0.02 -1.26 -2.77 135.00 126.69 1pj1 n PRO 97 Ca 0.12 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1pj1 n PRO 97 Cb 0.42 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 1pj1 n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pj1 n LEU 98 N -1.69 0.81 -4.75 2.45 4.77 0.30 -4.99 117.00 113.89 1pj1 n LEU 98 Ca 0.00 -0.65 -0.40 0.00 -0.03 0.00 0.00 56.01 54.94 1pj1 n LEU 98 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1pj1 n LEU 98 CO 0.05 0.17 0.63 -0.63 -1.33 0.00 0.00 177.39 176.29 1pj1 s ILE 99 N -1.50 4.11 -0.02 -0.08 1.01 -1.06 -0.62 121.20 123.04 1pj1 s ILE 99 Ca 0.05 2.04 0.03 0.00 0.00 0.00 0.00 60.65 62.77 1pj1 s ILE 99 Cb 0.07 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1pj1 s ILE 99 CO 0.28 0.49 0.95 -1.54 0.00 0.00 0.00 174.94 175.13 1pj1 n SER 100 N 1.48 1.73 -4.05 3.58 3.41 0.39 -4.01 113.62 116.16 1pj1 n SER 100 Ca -0.02 -2.02 -0.22 0.00 -0.26 0.00 0.00 58.87 56.34 1pj1 n SER 100 Cb 0.47 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 1pj1 n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pj1 s ILE 101 N -1.10 1.01 0.27 -1.33 -4.36 -1.26 -4.64 121.20 109.79 1pj1 s ILE 101 Ca 0.04 -0.48 -0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1pj1 s ILE 101 Cb 0.04 -0.88 0.27 0.00 1.25 0.00 0.00 42.46 43.14 1pj1 s ILE 101 CO 0.00 0.30 1.85 1.55 0.24 0.00 0.00 174.94 178.89 1pj1 h PRO 102 N 6.35 1.02 -0.55 0.37 0.13 -1.88 -2.25 132.00 135.19 1pj1 h PRO 102 Ca -0.33 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1pj1 h PRO 102 Cb 1.17 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 1pj1 h PRO 102 CO 0.48 0.68 0.13 1.05 -0.23 0.00 0.00 178.00 180.11 1pj1 h GLU 103 N 1.06 0.85 -0.10 0.86 9.09 -1.90 -1.90 114.58 122.54 1pj1 h GLU 103 Ca 0.47 -0.18 -0.22 0.00 0.05 0.00 0.00 59.36 59.48 1pj1 h GLU 103 Cb 0.35 -0.13 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 1pj1 h GLU 103 CO -0.23 0.77 -0.81 1.25 0.05 0.00 0.00 179.01 180.05 1pj1 h LEU 104 N 0.82 0.74 0.04 3.06 5.85 -1.86 -1.90 115.31 122.06 1pj1 h LEU 104 Ca 0.18 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1pj1 h LEU 104 Cb 0.31 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1pj1 h LEU 104 CO -0.00 1.29 -0.12 -0.08 -0.34 0.00 0.00 178.44 179.19 1pj1 h GLU 105 N 0.40 -0.21 -0.21 1.25 4.81 -1.11 -1.26 114.58 118.24 1pj1 h GLU 105 Ca -0.06 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1pj1 h GLU 105 Cb 1.42 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1pj1 h GLU 105 CO 0.15 -0.14 -0.30 1.15 -0.73 0.00 0.00 179.01 179.14 1pj1 h THR 106 N -0.22 1.28 -0.61 0.32 2.02 -1.39 -2.57 112.91 111.73 1pj1 h THR 106 Ca 0.03 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1pj1 h THR 106 Cb 0.25 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1pj1 h THR 106 CO -0.09 0.42 0.22 -0.25 0.37 0.00 0.00 175.52 176.20 1pj1 h TRP 107 N 0.37 0.95 -0.71 3.16 -0.00 -1.01 -0.07 115.95 118.65 1pj1 h TRP 107 Ca 0.05 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 58.82 1pj1 h TRP 107 Cb 0.72 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.57 1pj1 h TRP 107 CO 0.02 0.77 0.31 0.28 -0.00 0.00 0.00 178.44 179.81 1pj1 h VAL 108 N 0.85 1.24 -0.28 2.65 2.07 -1.07 0.31 116.25 122.03 1pj1 h VAL 108 Ca 0.20 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1pj1 h VAL 108 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pj1 h VAL 108 CO -0.01 0.30 -0.24 -0.33 0.02 0.00 0.00 177.57 177.30 1pj1 h GLU 109 N 1.00 0.54 -0.18 1.57 5.08 -1.15 -0.10 114.58 121.34 1pj1 h GLU 109 Ca 0.24 -0.20 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1pj1 h GLU 109 Cb 0.17 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pj1 h GLU 109 CO -0.02 0.74 -0.73 1.15 -1.00 0.00 0.00 179.01 179.14 1pj1 h THR 110 N 0.48 1.28 0.30 1.13 2.02 -0.59 -0.87 112.91 116.65 1pj1 h THR 110 Ca 0.07 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1pj1 h THR 110 Cb 0.68 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1pj1 h THR 110 CO 0.05 0.61 -0.15 -0.25 0.37 0.00 0.00 175.52 176.16 1pj1 h TRP 111 N 0.56 -0.38 -0.92 3.16 7.01 -0.25 -1.71 115.95 123.43 1pj1 h TRP 111 Ca -0.04 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 60.99 1pj1 h TRP 111 Cb 1.36 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.49 1pj1 h TRP 111 CO 0.09 -0.17 0.60 0.00 -2.79 0.00 0.00 178.44 176.16 1pj1 h ALA 112 N 0.17 1.24 -0.76 2.65 0.00 -1.01 -2.11 119.26 119.43 1pj1 h ALA 112 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pj1 h ALA 112 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1pj1 h ALA 112 CO 0.07 0.44 0.46 0.35 0.00 0.00 0.00 179.25 180.57 1pj1 h PHE 113 N 1.14 1.01 -0.19 0.00 3.57 -0.96 -1.69 116.94 119.83 1pj1 h PHE 113 Ca 0.38 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1pj1 h PHE 113 Cb 0.04 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1pj1 h PHE 113 CO -0.01 0.68 0.01 0.66 -2.23 0.00 0.00 178.31 177.41 1pj1 h SER 114 N 1.05 0.25 0.09 0.41 4.64 -0.65 -1.57 113.55 117.77 1pj1 h SER 114 Ca 0.27 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1pj1 h SER 114 Cb -0.03 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1pj1 h SER 114 CO -0.05 0.29 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.58 1pj1 h GLU 115 N 0.27 0.31 -0.03 4.77 4.39 -0.89 -1.57 114.58 121.82 1pj1 h GLU 115 Ca 0.06 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1pj1 h GLU 115 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1pj1 h GLU 115 CO 0.00 0.58 -0.46 1.79 -1.16 0.00 0.00 179.01 179.76 1pj1 h THR 116 N 0.28 1.33 -0.36 1.13 1.35 -0.93 -0.14 112.91 115.57 1pj1 h THR 116 Ca 0.04 -1.61 -0.12 0.00 -0.55 0.00 0.00 66.41 64.17 1pj1 h THR 116 Cb 0.66 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1pj1 h THR 116 CO 0.05 0.47 -0.26 0.40 -0.25 0.00 0.00 175.52 175.93 1pj1 h ILE 117 N 0.06 1.27 -0.72 6.82 1.08 -1.05 -0.55 117.51 124.42 1pj1 h ILE 117 Ca 0.00 -1.37 -0.06 0.00 -0.39 0.00 0.00 64.86 63.05 1pj1 h ILE 117 Cb 0.85 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1pj1 h ILE 117 CO 0.06 0.45 0.23 0.45 -0.69 0.00 0.00 178.15 178.66 1pj1 h HIS 118 N 0.63 1.13 -0.54 1.37 3.86 -0.40 0.70 115.15 121.90 1pj1 h HIS 118 Ca 0.08 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1pj1 h HIS 118 Cb 0.76 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1pj1 h HIS 118 CO 0.04 0.89 0.23 0.77 0.86 0.00 0.00 177.93 180.72 1pj1 h SER 119 N 1.06 0.73 0.09 2.45 0.02 -0.54 -1.85 113.55 115.51 1pj1 h SER 119 Ca 0.23 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1pj1 h SER 119 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1pj1 h SER 119 CO -0.01 0.69 -0.17 0.03 -1.14 0.00 0.00 176.83 176.23 1pj1 h ARG 120 N 0.73 0.18 -0.59 3.45 3.08 -0.64 -2.13 114.38 118.46 1pj1 h ARG 120 Ca 0.18 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1pj1 h ARG 120 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1pj1 h ARG 120 CO -0.02 0.35 0.26 0.77 -1.07 0.00 0.00 179.97 180.26 1pj1 h SER 121 N 0.17 0.80 0.29 7.04 0.02 -0.10 -1.79 113.55 119.97 1pj1 h SER 121 Ca 0.03 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1pj1 h SER 121 Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1pj1 h SER 121 CO 0.03 0.73 -0.43 1.88 -1.14 0.00 0.00 176.83 177.90 1pj1 h TYR 122 N 0.81 0.21 -0.49 3.45 0.05 -0.81 -1.91 116.97 118.28 1pj1 h TYR 122 Ca 0.20 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 1pj1 h TYR 122 Cb 0.17 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1pj1 h TYR 122 CO 0.01 0.58 -0.03 1.15 -1.05 0.00 0.00 178.16 178.82 1pj1 h THR 123 N 0.15 1.27 -0.68 -2.88 2.02 -1.11 0.11 112.91 111.80 1pj1 h THR 123 Ca 0.01 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.09 1pj1 h THR 123 Cb 0.82 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1pj1 h THR 123 CO 0.06 0.40 0.42 -0.74 0.37 0.00 0.00 175.52 176.03 1pj1 h HIS 124 N 0.75 0.78 0.13 3.16 -0.00 -1.00 0.77 115.15 119.74 1pj1 h HIS 124 Ca 0.14 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1pj1 h HIS 124 Cb 0.56 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1pj1 h HIS 124 CO 0.04 0.44 -0.06 0.82 -0.00 0.00 0.00 177.93 179.17 1pj1 h ILE 125 N 0.81 1.04 0.08 6.26 2.04 -1.15 -2.99 117.51 123.62 1pj1 h ILE 125 Ca 0.27 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1pj1 h ILE 125 Cb 0.03 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1pj1 h ILE 125 CO -0.11 0.24 -0.27 0.40 0.00 0.00 0.00 178.15 178.41 1pj1 h ILE 126 N -0.71 0.41 -0.22 -0.67 2.04 -0.66 -1.68 117.51 116.04 1pj1 h ILE 126 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1pj1 h ILE 126 Cb 0.52 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1pj1 h ILE 126 CO 0.03 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.32 1pj1 h ARG 127 N -0.46 0.00 0.00 2.37 2.43 -0.96 -2.20 114.38 115.57 1pj1 h ARG 127 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1pj1 h ARG 127 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1pj1 h ARG 127 CO -0.18 0.00 -0.98 0.09 -1.51 0.00 0.00 179.97 177.39 1pj1 n ASN 128 N -3.84 0.62 -0.00 -3.80 3.02 -0.70 -4.39 115.26 106.17 1pj1 n ASN 128 Ca 0.02 -0.11 0.05 0.00 -0.03 0.00 0.00 54.58 54.51 1pj1 n ASN 128 Cb 0.36 0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 40.16 1pj1 n ASN 128 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pj1 n ILE 129 N -2.05 0.00 -4.43 2.41 -5.35 -0.78 -4.33 119.36 104.82 1pj1 n ILE 129 Ca 0.02 -0.25 -0.26 0.00 -0.27 0.00 0.00 62.75 61.99 1pj1 n ILE 129 Cb 0.45 0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 38.95 1pj1 n ILE 129 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1pj1 s VAL 130 N -2.22 2.36 0.08 7.28 0.11 -0.88 -4.82 120.40 122.31 1pj1 s VAL 130 Ca 0.01 -2.15 -0.12 0.00 -2.93 0.00 0.00 61.98 56.80 1pj1 s VAL 130 Cb 0.07 -2.16 -0.25 0.00 -1.53 0.00 0.00 36.38 32.51 1pj1 s VAL 130 CO 0.40 -0.22 1.18 0.78 -3.33 0.00 0.00 175.10 173.91 1pj1 h ASN 131 N 2.91 0.80 -3.42 3.54 -0.26 -1.89 -3.42 115.58 113.84 1pj1 h ASN 131 Ca -0.44 -0.68 -0.61 0.00 -0.56 0.00 0.00 56.30 54.01 1pj1 h ASN 131 Cb 1.22 -0.25 -0.40 0.00 -1.06 0.00 0.00 38.32 37.84 1pj1 h ASN 131 CO 0.52 1.49 -0.74 -0.62 -1.06 0.00 0.00 177.43 177.02 1pj1 s ASP 132 N -7.29 3.95 0.45 5.81 2.15 -1.26 -4.99 116.67 115.49 1pj1 s ASP 132 Ca -0.08 -2.19 0.20 0.00 0.43 0.00 0.00 52.55 50.90 1pj1 s ASP 132 Cb 0.07 -1.06 1.17 0.00 -0.30 0.00 0.00 42.92 42.81 1pj1 s ASP 132 CO 0.91 -0.34 1.90 -0.65 -0.17 0.00 0.00 175.17 176.82 1pj1 h PRO 133 N 7.36 0.29 -0.26 4.34 0.11 -1.89 -1.85 132.00 140.10 1pj1 h PRO 133 Ca -0.07 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.10 1pj1 h PRO 133 Cb 0.97 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1pj1 h PRO 133 CO 0.49 0.19 0.26 0.77 -0.21 0.00 0.00 178.00 179.50 1pj1 h SER 134 N 0.30 0.00 -0.16 -2.05 0.02 -1.98 -0.55 113.55 109.13 1pj1 h SER 134 Ca 0.41 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.20 1pj1 h SER 134 Cb 1.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.69 1pj1 h SER 134 CO -0.11 0.00 -0.54 0.58 -1.14 0.00 0.00 176.83 175.62 1pj1 h VAL 135 N 0.00 1.33 0.52 2.27 2.07 -1.77 -1.75 116.25 118.92 1pj1 h VAL 135 Ca 0.12 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1pj1 h VAL 135 Cb 0.64 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1pj1 h VAL 135 CO -0.00 0.55 -0.25 0.58 0.02 0.00 0.00 177.57 178.47 1pj1 h VAL 136 N 0.31 0.28 -0.70 2.57 2.07 -1.31 -2.47 116.25 117.00 1pj1 h VAL 136 Ca -0.02 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.13 1pj1 h VAL 136 Cb 1.16 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1pj1 h VAL 136 CO 0.11 0.05 0.36 -0.26 0.02 0.00 0.00 177.57 177.85 1pj1 h PHE 137 N -1.05 0.65 -0.38 1.57 0.04 -1.26 -2.00 116.94 114.52 1pj1 h PHE 137 Ca -0.07 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 1pj1 h PHE 137 Cb 0.61 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1pj1 h PHE 137 CO 0.01 0.26 -0.17 -0.44 -0.60 0.00 0.00 178.31 177.36 1pj1 h ASP 138 N 0.63 0.70 0.40 2.17 3.32 -1.39 -2.61 116.42 119.64 1pj1 h ASP 138 Ca 0.34 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1pj1 h ASP 138 Cb 0.32 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1pj1 h ASP 138 CO -0.24 0.88 -0.12 -0.78 -1.72 0.00 0.00 179.24 177.26 1pj1 h ASP 139 N 0.63 0.00 -0.78 6.45 3.58 -0.88 -2.45 116.42 122.96 1pj1 h ASP 139 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1pj1 h ASP 139 Cb 0.64 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1pj1 h ASP 139 CO 0.05 0.12 0.46 0.40 -2.88 0.00 0.00 179.24 177.39 1pj1 h ILE 140 N 0.00 1.22 -0.15 2.25 2.04 -1.03 0.39 117.51 122.23 1pj1 h ILE 140 Ca -0.00 -0.51 -0.18 0.00 1.00 0.00 0.00 64.86 65.18 1pj1 h ILE 140 Cb 0.35 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1pj1 h ILE 140 CO 0.02 0.24 -0.59 0.58 0.00 0.00 0.00 178.15 178.39 1pj1 h VAL 141 N 1.08 1.32 0.00 1.67 2.07 -1.53 -3.36 116.25 117.50 1pj1 h VAL 141 Ca 0.28 -1.84 -0.16 0.00 0.82 0.00 0.00 66.70 65.80 1pj1 h VAL 141 Cb -0.02 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1pj1 h VAL 141 CO -0.05 0.57 -1.28 0.71 0.02 0.00 0.00 177.57 177.54 1pj1 h THR 142 N 0.35 0.55 -1.21 2.57 1.35 -1.38 -3.47 112.91 111.67 1pj1 h THR 142 Ca -0.03 -2.02 -0.60 0.00 -0.55 0.00 0.00 66.41 63.21 1pj1 h THR 142 Cb 1.22 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 69.70 1pj1 h THR 142 CO 0.12 0.31 1.51 -3.20 -0.25 0.00 0.00 175.52 174.01 1pj1 n ASN 143 N -2.94 2.15 0.17 5.36 5.15 0.14 -4.82 115.26 120.47 1pj1 n ASN 143 Ca -0.08 0.18 0.03 0.00 -0.60 0.00 0.00 54.58 54.12 1pj1 n ASN 143 Cb 0.82 -1.33 0.42 0.00 -0.53 0.00 0.00 39.78 39.16 1pj1 n ASN 143 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1pj1 h GLU 144 N 14.10 0.12 -0.42 1.20 4.11 -1.90 -1.59 114.58 130.21 1pj1 h GLU 144 Ca -0.26 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.01 1pj1 h GLU 144 Cb 1.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1pj1 h GLU 144 CO 1.07 0.31 -0.26 1.96 0.07 0.00 0.00 179.01 182.16 1pj1 h GLN 145 N 0.11 0.89 -0.18 1.06 7.50 -1.98 0.67 115.11 123.18 1pj1 h GLN 145 Ca 0.02 -0.39 -0.09 0.00 0.50 0.00 0.00 58.65 58.69 1pj1 h GLN 145 Cb 0.40 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1pj1 h GLN 145 CO 0.03 1.04 -0.24 0.82 -1.50 0.00 0.00 178.83 178.98 1pj1 h ILE 146 N 0.76 1.34 0.00 2.54 2.04 -1.83 -2.35 117.51 120.01 1pj1 h ILE 146 Ca 0.09 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1pj1 h ILE 146 Cb 0.82 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1pj1 h ILE 146 CO 0.07 0.44 -0.27 1.56 0.00 0.00 0.00 178.15 179.95 1pj1 h GLN 147 N 0.14 0.00 -0.16 2.37 1.08 -1.27 -2.10 115.11 115.17 1pj1 h GLN 147 Ca 0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1pj1 h GLN 147 Cb 0.80 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1pj1 h GLN 147 CO 0.06 0.27 0.01 0.87 -0.95 0.00 0.00 178.83 179.08 1pj1 h LYS 148 N 0.00 0.27 -0.37 1.46 6.56 -0.68 -0.82 116.57 122.99 1pj1 h LYS 148 Ca -0.00 -0.08 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 1pj1 h LYS 148 Cb 0.60 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 1pj1 h LYS 148 CO 0.04 0.49 -0.10 -0.09 -2.06 0.00 0.00 179.45 177.72 1pj1 h ARG 149 N 0.03 0.64 -0.01 3.15 2.43 -1.07 -2.98 114.38 116.57 1pj1 h ARG 149 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1pj1 h ARG 149 Cb 0.36 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1pj1 h ARG 149 CO 0.01 0.73 -0.08 0.00 -1.51 0.00 0.00 179.97 179.12 1pj1 n ALA 150 N -2.48 2.74 -1.61 2.80 0.00 -0.82 -4.79 120.51 116.34 1pj1 n ALA 150 Ca 0.01 -0.38 -0.48 0.00 0.00 0.00 0.00 53.44 52.59 1pj1 n ALA 150 Cb 0.33 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 1pj1 n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pj1 n GLU 151 N -0.32 1.47 0.00 0.00 2.13 -0.32 -2.09 120.64 121.51 1pj1 n GLU 151 Ca 0.17 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1pj1 n GLU 151 Cb 0.32 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1pj1 n GLU 151 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pj1 n GLY 152 N 2.33 2.87 0.12 8.31 0.00 -1.26 -4.96 105.19 112.60 1pj1 n GLY 152 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1pj1 n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj1 h ILE 153 N 0.00 0.00 -0.70 -0.61 2.04 -1.82 -2.54 117.51 113.88 1pj1 h ILE 153 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1pj1 h ILE 153 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1pj1 h ILE 153 CO 0.00 0.00 0.46 0.77 0.00 0.00 0.00 178.15 179.38 1pj1 h SER 154 N -0.50 0.71 -0.09 1.72 4.64 -1.93 -2.53 113.55 115.56 1pj1 h SER 154 Ca -0.03 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pj1 h SER 154 Cb 0.22 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1pj1 h SER 154 CO 0.05 0.48 -0.01 0.77 -0.87 0.00 0.00 176.83 177.25 1pj1 h SER 155 N 0.82 -0.05 0.22 4.97 4.64 -1.93 -0.08 113.55 122.14 1pj1 h SER 155 Ca 0.29 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1pj1 h SER 155 Cb 0.11 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1pj1 h SER 155 CO -0.08 -0.01 -0.28 1.88 -0.87 0.00 0.00 176.83 177.46 1pj1 h TYR 156 N 0.02 -0.76 -0.31 4.77 0.05 -1.03 -1.32 116.97 118.40 1pj1 h TYR 156 Ca 0.04 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.90 1pj1 h TYR 156 Cb 0.05 0.30 -0.07 0.00 1.01 0.00 0.00 36.73 38.03 1pj1 h TYR 156 CO -0.13 -0.40 -0.14 1.88 -1.05 0.00 0.00 178.16 178.32 1pj1 h TYR 157 N -0.56 -0.35 -0.97 4.88 0.99 -1.34 -1.52 116.97 118.11 1pj1 h TYR 157 Ca 0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.83 1pj1 h TYR 157 Cb 0.54 0.20 -0.06 0.00 1.00 0.00 0.00 36.73 38.41 1pj1 h TYR 157 CO -0.21 -0.21 0.63 -0.44 -0.00 0.00 0.00 178.16 177.93 1pj1 h ASP 158 N -0.09 1.00 -0.33 3.88 3.32 -0.73 -0.55 116.42 122.91 1pj1 h ASP 158 Ca 0.16 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1pj1 h ASP 158 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1pj1 h ASP 158 CO -0.37 0.64 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.41 1pj1 h GLU 159 N 1.14 0.62 -0.66 3.56 5.08 -0.68 -1.74 114.58 121.89 1pj1 h GLU 159 Ca 0.42 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1pj1 h GLU 159 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1pj1 h GLU 159 CO -0.16 0.78 0.42 1.25 -1.00 0.00 0.00 179.01 180.29 1pj1 h LEU 160 N 0.41 0.78 -0.26 1.33 5.85 -0.72 -1.49 115.31 121.21 1pj1 h LEU 160 Ca 0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1pj1 h LEU 160 Cb 0.53 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1pj1 h LEU 160 CO 0.03 0.59 0.14 0.40 -0.34 0.00 0.00 178.44 179.25 1pj1 h ILE 161 N 0.90 1.13 -0.27 4.05 2.04 -0.98 -0.07 117.51 124.31 1pj1 h ILE 161 Ca 0.24 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1pj1 h ILE 161 Cb -0.06 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1pj1 h ILE 161 CO -0.05 0.13 0.16 -0.08 0.00 0.00 0.00 178.15 178.31 1pj1 h GLU 162 N 0.30 0.37 -0.46 2.37 4.81 -1.09 -0.36 114.58 120.52 1pj1 h GLU 162 Ca 0.09 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1pj1 h GLU 162 Cb 0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1pj1 h GLU 162 CO -0.01 0.31 0.18 0.52 -0.73 0.00 0.00 179.01 179.27 1pj1 h MET 163 N 0.34 0.66 -0.49 1.92 2.86 -1.14 -1.33 114.93 117.75 1pj1 h MET 163 Ca 0.10 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1pj1 h MET 163 Cb 0.03 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1pj1 h MET 163 CO -0.02 0.55 -0.04 1.15 1.06 0.00 0.00 176.91 179.61 1pj1 h THR 164 N 0.66 1.27 -0.32 2.22 2.02 -0.53 -1.28 112.91 116.94 1pj1 h THR 164 Ca 0.16 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1pj1 h THR 164 Cb 0.14 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1pj1 h THR 164 CO -0.01 0.40 0.19 0.28 0.37 0.00 0.00 175.52 176.74 1pj1 h SER 165 N 0.74 0.39 -0.95 4.18 0.02 -0.46 -0.42 113.55 117.06 1pj1 h SER 165 Ca 0.13 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1pj1 h SER 165 Cb 0.57 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1pj1 h SER 165 CO 0.03 0.35 0.62 1.88 -1.14 0.00 0.00 176.83 178.57 1pj1 h TYR 166 N 0.41 1.16 0.06 3.45 0.05 -1.09 0.08 116.97 121.10 1pj1 h TYR 166 Ca 0.11 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1pj1 h TYR 166 Cb 0.03 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.38 1pj1 h TYR 166 CO -0.04 0.67 -0.03 2.35 -1.05 0.00 0.00 178.16 180.07 1pj1 h TRP 167 N 1.20 -0.08 -0.73 4.88 7.01 -0.70 0.16 115.95 127.70 1pj1 h TRP 167 Ca 0.37 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.33 1pj1 h TRP 167 Cb -0.01 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1pj1 h TRP 167 CO -0.01 0.08 0.30 0.45 -2.79 0.00 0.00 178.44 176.47 1pj1 h HIS 168 N -0.23 1.08 0.04 2.65 3.86 -0.80 0.17 115.15 121.91 1pj1 h HIS 168 Ca -0.01 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.00 1pj1 h HIS 168 Cb 0.20 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.35 1pj1 h HIS 168 CO -0.03 0.81 -0.53 -0.07 0.86 0.00 0.00 177.93 178.97 1pj1 h LEU 169 N 1.05 0.40 0.00 2.43 3.38 -0.85 0.19 115.31 121.91 1pj1 h LEU 169 Ca 0.24 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 1pj1 h LEU 169 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1pj1 h LEU 169 CO -0.02 1.19 -1.81 0.18 0.09 0.00 0.00 178.44 178.08 1pj1 n LEU 170 N -4.29 0.00 -0.22 1.67 4.77 0.56 -4.80 117.00 114.69 1pj1 n LEU 170 Ca -0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.90 1pj1 n LEU 170 Cb 0.66 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1pj1 n LEU 170 CO 0.45 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 1pj1 n GLY 171 N 1.70 -1.51 3.77 -0.72 0.00 0.59 -4.88 105.19 104.13 1pj1 n GLY 171 Ca -0.08 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1pj1 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pj1 s GLU 172 N -1.41 3.94 0.00 1.61 2.02 -1.26 -4.72 118.70 118.88 1pj1 s GLU 172 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.03 1pj1 s GLU 172 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1pj1 s GLU 172 CO 0.00 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1pj1 n GLY 173 N 0.66 0.90 3.44 -1.39 0.00 -0.33 -4.98 105.19 103.50 1pj1 n GLY 173 Ca 0.04 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1pj1 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pj1 s THR 174 N -1.36 3.87 0.38 2.61 2.01 -1.26 -0.62 115.64 121.27 1pj1 s THR 174 Ca 0.00 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 61.72 1pj1 s THR 174 Cb 0.00 -2.74 -0.07 0.00 0.01 0.00 0.00 72.50 69.70 1pj1 s THR 174 CO 0.00 0.44 0.02 -1.00 -0.69 0.00 0.00 174.62 173.39 1pj1 s HIS 175 N 0.90 2.33 -0.27 4.92 3.76 0.12 -4.96 115.29 122.10 1pj1 s HIS 175 Ca 0.01 -0.75 0.03 0.00 -0.15 0.00 0.00 55.06 54.19 1pj1 s HIS 175 Cb -0.14 -1.59 0.07 0.00 1.11 0.00 0.00 32.58 32.02 1pj1 s HIS 175 CO 0.02 0.32 -0.07 0.99 -0.85 0.00 0.00 174.74 175.15 1pj1 s THR 176 N -2.89 2.03 -0.25 1.30 2.01 -1.26 0.14 115.64 116.72 1pj1 s THR 176 Ca 0.35 -1.66 -0.01 0.00 0.31 0.00 0.00 61.69 60.68 1pj1 s THR 176 Cb 0.09 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.40 1pj1 s THR 176 CO 0.17 -0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1pj1 s VAL 177 N 1.14 2.84 -1.50 3.82 1.01 0.97 -4.64 120.40 124.05 1pj1 s VAL 177 Ca -0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1pj1 s VAL 177 Cb -0.20 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1pj1 s VAL 177 CO -0.06 0.18 0.82 0.59 0.00 0.00 0.00 175.10 176.63 1pj1 n ASN 178 N 4.66 -4.50 0.00 3.32 3.02 -1.26 -0.81 115.26 119.69 1pj1 n ASN 178 Ca -0.16 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1pj1 n ASN 178 Cb 0.47 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1pj1 n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj1 n GLY 179 N -1.52 0.87 3.67 7.41 0.00 -1.26 -5.03 105.19 109.33 1pj1 n GLY 179 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1pj1 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj1 s LYS 180 N -0.15 2.75 -0.23 1.61 -0.14 0.01 -5.08 119.74 118.51 1pj1 s LYS 180 Ca 0.00 -0.62 -0.24 0.00 -1.36 0.00 0.00 55.97 53.74 1pj1 s LYS 180 Cb 0.00 -2.65 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 1pj1 s LYS 180 CO 0.00 0.62 0.82 0.99 -0.76 0.00 0.00 175.35 177.02 1pj1 s THR 181 N -1.07 4.85 -0.17 2.17 2.01 -1.26 -0.02 115.64 122.16 1pj1 s THR 181 Ca 0.19 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1pj1 s THR 181 Cb -0.11 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1pj1 s THR 181 CO 0.10 -0.05 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.11 1pj1 s VAL 182 N 2.73 2.38 -0.19 3.82 1.01 0.12 -4.95 120.40 125.32 1pj1 s VAL 182 Ca 0.35 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1pj1 s VAL 182 Cb -0.15 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1pj1 s VAL 182 CO 0.08 0.52 0.18 -0.89 0.00 0.00 0.00 175.10 174.99 1pj1 s THR 183 N 1.07 5.38 -0.29 3.92 2.01 -1.26 0.13 115.64 126.59 1pj1 s THR 183 Ca -0.01 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1pj1 s THR 183 Cb -0.14 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.92 1pj1 s THR 183 CO -0.06 0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.57 1pj1 s VAL 184 N 0.44 2.18 -0.17 3.82 1.01 0.21 -5.01 120.40 122.87 1pj1 s VAL 184 Ca 0.10 -1.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.14 1pj1 s VAL 184 Cb -0.12 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1pj1 s VAL 184 CO 0.00 -0.29 -0.09 -0.55 0.00 0.00 0.00 175.10 174.17 1pj1 s SER 185 N 1.03 4.18 0.22 3.32 0.15 -1.26 -1.18 113.70 120.16 1pj1 s SER 185 Ca -0.00 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.25 1pj1 s SER 185 Cb -0.19 -1.67 0.21 0.00 -1.71 0.00 0.00 66.02 62.65 1pj1 s SER 185 CO -0.07 0.09 1.74 0.25 1.20 0.00 0.00 173.24 176.45 1pj1 h LEU 186 N 7.27 0.96 -0.37 3.45 5.85 -1.98 -1.49 115.31 129.01 1pj1 h LEU 186 Ca -0.33 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.23 1pj1 h LEU 186 Cb 1.19 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1pj1 h LEU 186 CO 0.59 0.95 0.08 -0.09 -0.34 0.00 0.00 178.44 179.63 1pj1 h ARG 187 N 0.96 0.20 -0.21 1.25 9.65 -1.99 0.19 114.38 124.44 1pj1 h ARG 187 Ca 0.20 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1pj1 h ARG 187 Cb 0.40 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1pj1 h ARG 187 CO 0.01 0.14 -0.28 0.93 2.80 0.00 0.00 179.97 183.57 1pj1 h GLU 188 N 0.21 0.40 -0.40 0.20 4.39 -1.91 -1.64 114.58 115.83 1pj1 h GLU 188 Ca 0.18 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1pj1 h GLU 188 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1pj1 h GLU 188 CO -0.22 0.65 -0.25 1.25 -1.16 0.00 0.00 179.01 179.28 1pj1 h LEU 189 N 0.36 0.85 -0.72 1.33 5.85 -0.44 -0.97 115.31 121.56 1pj1 h LEU 189 Ca 0.05 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1pj1 h LEU 189 Cb 0.67 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1pj1 h LEU 189 CO 0.05 1.06 0.24 0.11 -0.34 0.00 0.00 178.44 179.55 1pj1 h LYS 190 N 0.71 1.11 -0.39 1.25 1.57 -0.31 -0.33 116.57 120.18 1pj1 h LYS 190 Ca 0.09 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1pj1 h LYS 190 Cb 0.78 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1pj1 h LYS 190 CO 0.06 0.94 0.21 0.87 -0.57 0.00 0.00 179.45 180.97 1pj1 h LYS 191 N 1.06 0.55 -0.71 3.15 1.57 -0.93 0.41 116.57 121.67 1pj1 h LYS 191 Ca 0.23 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1pj1 h LYS 191 Cb 0.29 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1pj1 h LYS 191 CO -0.01 0.46 0.47 -0.22 -0.57 0.00 0.00 179.45 179.58 1pj1 h LYS 192 N 0.51 0.93 -0.26 3.15 1.63 -0.76 -0.37 116.57 121.39 1pj1 h LYS 192 Ca 0.14 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1pj1 h LYS 192 Cb 0.07 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1pj1 h LYS 192 CO -0.02 0.61 0.08 1.25 -3.45 0.00 0.00 179.45 177.92 1pj1 h LEU 193 N 0.95 0.39 -0.53 5.20 5.85 -0.68 -0.65 115.31 125.83 1pj1 h LEU 193 Ca 0.26 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1pj1 h LEU 193 Cb -0.10 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1pj1 h LEU 193 CO -0.06 0.50 0.25 0.22 -0.34 0.00 0.00 178.44 179.01 1pj1 h TYR 194 N 0.26 0.46 -0.21 1.25 3.20 -0.44 -0.11 116.97 121.37 1pj1 h TYR 194 Ca 0.08 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1pj1 h TYR 194 Cb 0.25 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1pj1 h TYR 194 CO 0.01 0.21 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.30 1pj1 h LEU 195 N 0.49 0.47 -0.65 2.82 3.38 -0.97 -1.71 115.31 119.13 1pj1 h LEU 195 Ca 0.24 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1pj1 h LEU 195 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1pj1 h LEU 195 CO -0.19 0.80 0.18 0.00 0.09 0.00 0.00 178.44 179.32 1pj1 h LEU 197 N 0.96 0.98 -0.94 0.00 4.07 -0.74 -0.17 115.31 119.48 1pj1 h LEU 197 Ca 0.21 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 1pj1 h LEU 197 Cb 0.34 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1pj1 h LEU 197 CO -0.00 0.98 -0.01 -0.03 -1.08 0.00 0.00 178.44 178.30 1pj1 h MET 198 N 0.94 0.77 -0.49 1.13 4.05 -1.10 -0.00 114.93 120.23 1pj1 h MET 198 Ca 0.19 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 1pj1 h MET 198 Cb 0.41 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1pj1 h MET 198 CO 0.01 0.78 0.04 0.77 0.23 0.00 0.00 176.91 178.74 1pj1 h SER 199 N 0.71 0.81 -0.09 1.39 0.02 -0.69 -1.26 113.55 114.43 1pj1 h SER 199 Ca 0.14 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1pj1 h SER 199 Cb 0.45 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1pj1 h SER 199 CO 0.02 0.89 -0.25 1.62 -1.14 0.00 0.00 176.83 177.97 1pj1 h VAL 200 N 0.69 1.27 -0.40 2.27 3.04 -0.73 -0.79 116.25 121.61 1pj1 h VAL 200 Ca 0.14 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1pj1 h VAL 200 Cb 0.45 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 1pj1 h VAL 200 CO 0.02 0.41 0.26 -1.13 -1.01 0.00 0.00 177.57 176.12 1pj1 h ASN 201 N 0.47 0.46 -0.43 3.17 -1.24 -0.64 0.18 115.58 117.54 1pj1 h ASN 201 Ca 0.07 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 1pj1 h ASN 201 Cb 0.68 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 1pj1 h ASN 201 CO 0.05 0.33 0.08 0.00 -1.29 0.00 0.00 177.43 176.60 1pj1 h ALA 202 N 1.14 1.21 0.03 1.57 0.00 -0.83 0.16 119.26 122.53 1pj1 h ALA 202 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pj1 h ALA 202 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pj1 h ALA 202 CO -0.03 0.54 -0.02 1.25 0.00 0.00 0.00 179.25 180.99 1pj1 h LEU 203 N 0.74 -0.04 -0.37 0.00 5.85 -0.46 -0.05 115.31 120.98 1pj1 h LEU 203 Ca 0.16 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1pj1 h LEU 203 Cb 0.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1pj1 h LEU 203 CO 0.01 0.27 0.03 -0.33 -0.34 0.00 0.00 178.44 178.07 1pj1 h GLU 204 N -0.35 0.63 0.00 1.25 4.39 -0.48 -2.54 114.58 117.48 1pj1 h GLU 204 Ca -0.00 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1pj1 h GLU 204 Cb 0.33 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1pj1 h GLU 204 CO 0.01 0.72 -0.75 0.00 -1.16 0.00 0.00 179.01 177.83 1pj1 h ALA 205 N 0.89 0.68 0.00 3.43 0.00 -0.74 -3.39 119.26 120.12 1pj1 h ALA 205 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1pj1 h ALA 205 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pj1 h ALA 205 CO 0.01 0.22 -0.25 -0.89 0.00 0.00 0.00 179.25 178.34 1pj1 n ILE 206 N -2.89 1.13 -0.16 0.00 5.41 -0.05 -4.54 119.36 118.25 1pj1 n ILE 206 Ca -0.00 0.32 -0.03 0.00 1.00 0.00 0.00 62.75 64.04 1pj1 n ILE 206 Cb 0.61 -1.66 0.06 0.00 -0.71 0.00 0.00 39.64 37.95 1pj1 n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1pj1 h ARG 207 N -0.11 0.37 -0.48 0.38 3.08 -1.29 -1.22 114.38 115.10 1pj1 h ARG 207 Ca -0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1pj1 h ARG 207 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1pj1 h ARG 207 CO -0.01 0.24 0.14 0.74 -1.07 0.00 0.00 179.97 180.02 1pj1 h PHE 208 N 0.38 0.79 -0.21 3.04 0.04 -1.65 -3.04 116.94 116.28 1pj1 h PHE 208 Ca 0.24 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 1pj1 h PHE 208 Cb 0.25 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1pj1 h PHE 208 CO -0.15 0.69 -0.20 1.88 -0.60 0.00 0.00 178.31 179.93 1pj1 h TYR 209 N 0.65 0.40 -0.37 -0.55 -1.99 -1.67 -1.48 116.97 111.96 1pj1 h TYR 209 Ca 0.16 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.75 1pj1 h TYR 209 Cb 0.28 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1pj1 h TYR 209 CO 0.02 0.55 -0.06 0.28 -0.00 0.00 0.00 178.16 178.94 1pj1 h VAL 210 N 0.33 1.23 -0.12 -2.88 2.07 -1.19 -2.42 116.25 113.27 1pj1 h VAL 210 Ca 0.06 -0.99 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 1pj1 h VAL 210 Cb 0.55 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1pj1 h VAL 210 CO 0.04 0.33 -0.60 0.77 0.02 0.00 0.00 177.57 178.13 1pj1 h SER 211 N 0.57 0.46 -0.85 0.57 4.64 -1.31 -3.06 113.55 114.57 1pj1 h SER 211 Ca 0.11 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1pj1 h SER 211 Cb 0.46 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1pj1 h SER 211 CO 0.02 0.95 0.49 -0.26 -0.87 0.00 0.00 176.83 177.16 1pj1 h PHE 212 N 0.30 1.16 -0.71 4.77 0.04 -0.81 -2.20 116.94 119.48 1pj1 h PHE 212 Ca -0.00 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1pj1 h PHE 212 Cb 1.13 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 1pj1 h PHE 212 CO 0.04 0.79 0.45 0.00 -0.60 0.00 0.00 178.31 178.99 1pj1 h ALA 213 N 1.34 0.93 -0.55 2.45 0.00 -1.37 0.93 119.26 123.00 1pj1 h ALA 213 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1pj1 h ALA 213 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1pj1 h ALA 213 CO -0.05 0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.66 1pj1 h SER 215 N 0.75 0.26 0.80 0.00 0.02 -0.82 -2.95 113.55 111.61 1pj1 h SER 215 Ca 0.19 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1pj1 h SER 215 Cb 0.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1pj1 h SER 215 CO -0.02 0.39 0.00 -0.26 -1.14 0.00 0.00 176.83 175.80 1pj1 h PHE 216 N 0.11 0.00 -0.16 3.45 0.04 -0.74 -2.52 116.94 117.13 1pj1 h PHE 216 Ca 0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1pj1 h PHE 216 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1pj1 h PHE 216 CO -0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 178.31 177.63 1pj1 h ALA 217 N 2.11 1.58 0.11 2.45 0.00 -1.13 -0.51 119.26 123.86 1pj1 h ALA 217 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 1pj1 h ALA 217 Cb 0.40 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1pj1 h ALA 217 CO 0.00 0.31 -1.20 0.74 0.00 0.00 0.00 179.25 179.10 1pj1 h PHE 218 N 0.24 0.81 -0.30 0.00 -1.00 -1.55 -3.17 116.94 111.97 1pj1 h PHE 218 Ca 0.05 -0.52 0.01 0.00 2.81 0.00 0.00 57.97 60.32 1pj1 h PHE 218 Cb 0.29 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1pj1 h PHE 218 CO 0.00 1.37 0.20 0.00 -1.61 0.00 0.00 178.31 178.27 1pj1 h ALA 219 N 0.44 1.81 0.00 2.45 0.00 -1.28 0.14 119.26 122.82 1pj1 h ALA 219 Ca -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pj1 h ALA 219 Cb 1.88 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1pj1 h ALA 219 CO 0.22 0.18 -0.13 0.93 0.00 0.00 0.00 179.25 180.45 1pj1 h GLU 220 N 0.39 0.00 -0.19 0.00 4.39 -1.10 -1.30 114.58 116.77 1pj1 h GLU 220 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1pj1 h GLU 220 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1pj1 h GLU 220 CO -0.02 0.13 0.00 0.54 -1.16 0.00 0.00 179.01 178.49 1pj1 n ARG 221 N -3.63 1.92 -2.03 2.33 1.74 0.41 -4.91 116.66 112.49 1pj1 n ARG 221 Ca -0.02 -1.37 -0.10 0.00 -0.77 0.00 0.00 57.85 55.59 1pj1 n ARG 221 Cb 0.25 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 1pj1 n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pj1 n GLU 222 N 0.61 -0.78 -4.39 5.56 1.02 -0.49 -5.02 120.64 117.15 1pj1 n GLU 222 Ca 0.17 0.55 -0.26 0.00 -0.02 0.00 0.00 57.16 57.60 1pj1 n GLU 222 Cb 0.40 -4.58 -0.10 0.00 -0.02 0.00 0.00 31.44 27.13 1pj1 n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pj1 s LEU 223 N -2.77 2.67 -1.16 -4.62 1.02 -0.77 -4.77 118.68 108.27 1pj1 s LEU 223 Ca 0.00 -0.80 -0.22 0.00 0.02 0.00 0.00 54.13 53.13 1pj1 s LEU 223 Cb 0.00 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.88 1pj1 s LEU 223 CO 0.00 0.09 0.77 0.23 0.02 0.00 0.00 176.35 177.46 1pj1 n MET 224 N -0.05 -1.19 -0.01 1.70 2.81 -1.26 -3.31 117.12 115.82 1pj1 n MET 224 Ca -0.10 0.40 -0.11 0.00 -1.81 0.00 0.00 57.70 56.08 1pj1 n MET 224 Cb 0.57 -3.93 0.02 0.00 -0.71 0.00 0.00 33.22 29.16 1pj1 n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pj1 h GLU 225 N -1.99 0.63 -0.20 0.03 4.39 -1.93 -2.41 114.58 113.10 1pj1 h GLU 225 Ca -0.67 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 58.59 1pj1 h GLU 225 Cb 1.37 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1pj1 h GLU 225 CO 0.49 1.04 0.05 0.78 -1.16 0.00 0.00 179.01 180.21 1pj1 h GLY 226 N 0.96 0.34 0.84 -3.84 0.00 -1.90 -1.82 103.07 97.65 1pj1 h GLY 226 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1pj1 h GLY 226 CO 0.12 0.20 0.57 -0.57 0.00 0.00 0.00 176.54 176.85 1pj1 h ASN 227 N 0.13 0.93 -0.68 0.19 -0.73 -1.89 -2.27 115.58 111.26 1pj1 h ASN 227 Ca 0.06 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.24 1pj1 h ASN 227 Cb 0.27 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.62 1pj1 h ASN 227 CO 0.00 0.63 0.44 0.00 -0.37 0.00 0.00 177.43 178.13 1pj1 h ALA 228 N 1.38 0.87 -0.75 1.57 0.00 -1.12 0.18 119.26 121.39 1pj1 h ALA 228 Ca 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1pj1 h ALA 228 Cb 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1pj1 h ALA 228 CO -0.13 0.26 0.44 0.87 0.00 0.00 0.00 179.25 180.69 1pj1 h LYS 229 N 0.90 1.03 -0.14 0.00 1.57 -0.79 -1.33 116.57 117.80 1pj1 h LYS 229 Ca 0.26 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1pj1 h LYS 229 Cb -0.07 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1pj1 h LYS 229 CO -0.07 0.74 -0.03 0.82 -0.57 0.00 0.00 179.45 180.34 1pj1 h ILE 230 N 1.03 1.29 -0.39 1.86 2.04 -0.93 -2.62 117.51 119.79 1pj1 h ILE 230 Ca 0.27 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.18 1pj1 h ILE 230 Cb -0.01 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1pj1 h ILE 230 CO -0.05 0.29 0.26 0.40 0.00 0.00 0.00 178.15 179.05 1pj1 h ILE 231 N -0.03 1.03 -0.30 -0.67 1.08 -0.42 0.15 117.51 118.35 1pj1 h ILE 231 Ca 0.04 -0.14 -0.11 0.00 -0.39 0.00 0.00 64.86 64.26 1pj1 h ILE 231 Cb 0.46 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1pj1 h ILE 231 CO 0.01 0.08 -0.26 0.03 -0.69 0.00 0.00 178.15 177.32 1pj1 h ARG 232 N 0.41 0.60 -0.28 2.37 3.08 -1.09 0.18 114.38 119.66 1pj1 h ARG 232 Ca 0.16 -0.24 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 1pj1 h ARG 232 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1pj1 h ARG 232 CO -0.04 0.81 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.08 1pj1 h LEU 233 N 0.53 0.94 -0.12 3.04 3.38 -0.65 -2.31 115.31 120.12 1pj1 h LEU 233 Ca 0.07 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1pj1 h LEU 233 Cb 0.72 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pj1 h LEU 233 CO 0.06 1.29 0.01 0.40 0.09 0.00 0.00 178.44 180.29 1pj1 h ILE 234 N 0.61 1.23 -1.00 1.22 2.04 -0.55 -2.85 117.51 118.21 1pj1 h ILE 234 Ca 0.01 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.28 1pj1 h ILE 234 Cb 1.12 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1pj1 h ILE 234 CO 0.12 0.21 0.63 0.00 0.00 0.00 0.00 178.15 179.10 1pj1 h ALA 235 N 0.78 1.50 -0.92 1.87 0.00 -0.64 0.87 119.26 122.73 1pj1 h ALA 235 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1pj1 h ALA 235 Cb 0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1pj1 h ALA 235 CO 0.00 0.22 0.57 -0.09 0.00 0.00 0.00 179.25 179.96 1pj1 h ARG 236 N 0.99 1.00 -0.13 0.00 2.43 -1.23 -1.63 114.38 115.81 1pj1 h ARG 236 Ca 0.50 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.50 1pj1 h ARG 236 Cb 0.49 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1pj1 h ARG 236 CO -0.27 0.66 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.07 1pj1 h ASP 237 N 1.03 0.52 -0.40 -3.80 3.32 -0.68 -3.20 116.42 113.20 1pj1 h ASP 237 Ca 0.41 -0.59 0.08 0.00 0.02 0.00 0.00 57.03 56.95 1pj1 h ASP 237 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1pj1 h ASP 237 CO -0.19 1.01 0.28 -0.33 -1.72 0.00 0.00 179.24 178.29 1pj1 h GLU 238 N 0.05 0.20 -0.69 3.56 4.39 -0.69 -0.14 114.58 121.27 1pj1 h GLU 238 Ca -0.01 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1pj1 h GLU 238 Cb 0.95 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1pj1 h GLU 238 CO 0.07 0.13 0.28 0.00 -1.16 0.00 0.00 179.01 178.33 1pj1 h ALA 239 N 1.79 1.20 -0.24 3.43 0.00 -1.30 -0.56 119.26 123.58 1pj1 h ALA 239 Ca 0.18 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1pj1 h ALA 239 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pj1 h ALA 239 CO -0.03 0.58 -0.32 -0.07 0.00 0.00 0.00 179.25 179.41 1pj1 h LEU 240 N 0.99 0.70 -0.37 0.00 3.38 -1.12 -2.15 115.31 116.74 1pj1 h LEU 240 Ca 0.23 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1pj1 h LEU 240 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1pj1 h LEU 240 CO -0.02 1.07 0.22 0.45 0.09 0.00 0.00 178.44 180.25 1pj1 h HIS 241 N 0.35 0.42 0.00 1.13 3.86 -0.87 -0.27 115.15 119.78 1pj1 h HIS 241 Ca 0.03 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 1pj1 h HIS 241 Cb 0.90 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1pj1 h HIS 241 CO 0.08 0.25 -0.48 1.37 0.86 0.00 0.00 177.93 180.01 1pj1 h LEU 242 N 0.46 0.00 -0.72 2.43 8.10 -1.15 -1.29 115.31 123.13 1pj1 h LEU 242 Ca 0.14 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.07 1pj1 h LEU 242 Cb -0.01 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 1pj1 h LEU 242 CO -0.06 0.48 0.22 0.74 -4.11 0.00 0.00 178.44 175.71 1pj1 h THR 243 N 0.00 1.26 -0.28 0.15 2.02 -0.78 -0.42 112.91 114.85 1pj1 h THR 243 Ca -0.00 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1pj1 h THR 243 Cb 0.93 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1pj1 h THR 243 CO 0.06 0.36 0.08 1.23 0.37 0.00 0.00 175.52 177.61 1pj1 h GLY 244 N 1.07 0.48 1.32 2.16 0.00 -0.34 -1.72 103.07 106.03 1pj1 h GLY 244 Ca 0.23 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 1pj1 h GLY 244 CO -0.01 0.28 -0.30 -0.91 0.00 0.00 0.00 176.54 175.60 1pj1 h THR 245 N 0.29 1.28 -0.77 4.70 1.35 -1.10 -0.79 112.91 117.87 1pj1 h THR 245 Ca 0.09 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1pj1 h THR 245 Cb 0.27 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 67.98 1pj1 h THR 245 CO -0.00 0.48 0.42 1.56 -0.25 0.00 0.00 175.52 177.73 1pj1 h GLN 246 N 0.65 1.07 -0.48 4.72 4.20 -1.01 -0.46 115.11 123.80 1pj1 h GLN 246 Ca 0.07 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1pj1 h GLN 246 Cb 0.83 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1pj1 h GLN 246 CO 0.07 0.80 -0.11 0.45 -0.67 0.00 0.00 178.83 179.37 1pj1 h HIS 247 N 1.07 1.04 0.18 2.96 3.86 -1.09 0.36 115.15 123.52 1pj1 h HIS 247 Ca 0.27 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1pj1 h HIS 247 Cb 0.03 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1pj1 h HIS 247 CO 0.00 1.00 -0.12 0.52 0.86 0.00 0.00 177.93 180.19 1pj1 h MET 248 N 0.78 -0.29 -0.42 2.45 2.86 -0.77 0.59 114.93 120.12 1pj1 h MET 248 Ca 0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1pj1 h MET 248 Cb 0.66 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1pj1 h MET 248 CO 0.05 -0.19 0.28 -0.07 1.06 0.00 0.00 176.91 178.03 1pj1 h LEU 249 N -0.30 0.49 -0.79 1.22 3.38 -0.99 -1.57 115.31 116.75 1pj1 h LEU 249 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1pj1 h LEU 249 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pj1 h LEU 249 CO 0.00 0.36 -0.54 0.78 0.09 0.00 0.00 178.44 179.14 1pj1 h ASN 250 N 0.57 0.19 -0.55 -0.43 2.35 -0.81 -1.32 115.58 115.58 1pj1 h ASN 250 Ca 0.16 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1pj1 h ASN 250 Cb -0.06 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1pj1 h ASN 250 CO -0.03 0.70 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.30 1pj1 h LEU 251 N 0.14 1.03 -0.80 1.61 3.38 -0.66 -0.95 115.31 119.06 1pj1 h LEU 251 Ca 0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1pj1 h LEU 251 Cb 1.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1pj1 h LEU 251 CO 0.08 1.12 0.09 -0.07 0.09 0.00 0.00 178.44 179.75 1pj1 h LEU 252 N 0.91 0.94 -0.75 1.67 3.38 -1.07 -2.88 115.31 117.51 1pj1 h LEU 252 Ca 0.15 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1pj1 h LEU 252 Cb 0.64 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1pj1 h LEU 252 CO 0.04 0.95 -0.39 -0.09 0.09 0.00 0.00 178.44 179.04 1pj1 h ARG 253 N 0.93 0.49 0.00 1.13 9.65 -1.02 -3.09 114.38 122.47 1pj1 h ARG 253 Ca 0.19 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1pj1 h ARG 253 Cb 0.42 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1pj1 h ARG 253 CO 0.01 0.80 -0.05 0.66 2.80 0.00 0.00 179.97 184.20 1pj1 h SER 254 N 0.41 0.00 0.00 -3.80 4.64 -0.94 -3.44 113.55 110.41 1pj1 h SER 254 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pj1 h SER 254 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1pj1 h SER 254 CO 0.07 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1pj1 n GLY 255 N -1.05 1.00 0.24 -0.77 0.00 -1.19 -4.89 105.19 98.53 1pj1 n GLY 255 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1pj1 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj1 h ALA 256 N 0.00 1.00 -3.00 4.61 0.00 -1.86 -3.40 119.26 116.61 1pj1 h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pj1 h ALA 256 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pj1 h ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1pj1 n ASP 257 N -3.01 0.00 -4.65 0.00 2.03 -1.26 -4.96 116.55 104.70 1pj1 n ASP 257 Ca 0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 1pj1 n ASP 257 Cb 0.41 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 1pj1 n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pj1 s ASP 258 N -1.00 6.63 0.33 1.67 -1.08 -1.26 -4.89 116.67 117.06 1pj1 s ASP 258 Ca 0.00 2.07 0.03 0.00 -0.52 0.00 0.00 52.55 54.13 1pj1 s ASP 258 Cb 0.00 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.55 1pj1 s ASP 258 CO 0.00 -0.98 1.95 -0.65 0.52 0.00 0.00 175.17 176.00 1pj1 h PRO 259 N 9.70 0.88 -0.41 4.34 0.11 -1.93 -2.05 132.00 142.64 1pj1 h PRO 259 Ca -0.37 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1pj1 h PRO 259 Cb 1.17 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1pj1 h PRO 259 CO 0.96 0.58 0.10 1.49 -0.21 0.00 0.00 178.00 180.92 1pj1 h GLU 260 N 0.90 0.60 -0.12 1.05 4.81 -1.95 -2.26 114.58 117.62 1pj1 h GLU 260 Ca 0.34 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1pj1 h GLU 260 Cb 0.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1pj1 h GLU 260 CO -0.11 0.55 -0.22 0.52 -0.73 0.00 0.00 179.01 179.02 1pj1 h MET 261 N 0.59 0.21 -0.57 1.92 2.86 -1.67 0.29 114.93 118.57 1pj1 h MET 261 Ca 0.14 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1pj1 h MET 261 Cb 0.22 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1pj1 h MET 261 CO -0.00 0.43 -0.03 0.00 1.06 0.00 0.00 176.91 178.36 1pj1 h ALA 262 N 1.58 0.77 -0.41 6.32 0.00 -1.33 0.51 119.26 126.70 1pj1 h ALA 262 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1pj1 h ALA 262 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pj1 h ALA 262 CO 0.03 0.63 0.08 0.93 0.00 0.00 0.00 179.25 180.92 1pj1 h GLU 263 N 0.91 0.66 -0.11 0.00 5.08 -1.17 -2.82 114.58 117.13 1pj1 h GLU 263 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pj1 h GLU 263 Cb 0.59 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pj1 h GLU 263 CO 0.04 0.70 0.05 0.82 -1.00 0.00 0.00 179.01 179.61 1pj1 h ILE 264 N 0.52 1.14 -0.74 3.13 2.04 -0.73 -1.41 117.51 121.47 1pj1 h ILE 264 Ca 0.13 -0.40 0.13 0.00 1.00 0.00 0.00 64.86 65.71 1pj1 h ILE 264 Cb 0.35 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 1pj1 h ILE 264 CO 0.01 0.12 0.31 0.00 0.00 0.00 0.00 178.15 178.58 1pj1 h ALA 265 N 0.90 1.03 -0.07 1.87 0.00 -0.87 -0.73 119.26 121.39 1pj1 h ALA 265 Ca 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pj1 h ALA 265 Cb 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pj1 h ALA 265 CO -0.00 -0.18 0.03 1.49 0.00 0.00 0.00 179.25 180.59 1pj1 h GLU 266 N 0.47 0.11 -0.70 0.00 4.57 -1.30 -2.74 114.58 115.00 1pj1 h GLU 266 Ca 0.40 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1pj1 h GLU 266 Cb 0.56 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1pj1 h GLU 266 CO -0.37 0.24 0.45 0.93 -1.18 0.00 0.00 179.01 179.08 1pj1 h GLU 267 N -0.04 0.92 -0.67 1.92 5.08 -0.33 -2.94 114.58 118.53 1pj1 h GLU 267 Ca 0.02 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 1pj1 h GLU 267 Cb 0.17 -0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.06 1pj1 h GLU 267 CO -0.00 0.62 0.26 0.00 -1.00 0.00 0.00 179.01 178.89 1pj1 h LYS 269 N 1.82 0.79 -0.08 0.00 2.10 -1.29 -0.80 116.57 119.11 1pj1 h LYS 269 Ca 0.32 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.82 1pj1 h LYS 269 Cb 2.23 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 33.36 1pj1 h LYS 269 CO 0.70 0.52 -0.39 0.37 -2.00 0.00 0.00 179.45 178.65 1pj1 h GLN 270 N 0.82 0.18 -0.28 0.07 5.75 -1.86 -1.74 115.11 118.04 1pj1 h GLN 270 Ca 0.31 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1pj1 h GLN 270 Cb 0.18 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1pj1 h GLN 270 CO -0.10 0.55 -0.13 0.93 -2.65 0.00 0.00 178.83 177.42 1pj1 h GLU 271 N 0.15 0.59 -0.00 1.69 3.07 -1.53 0.19 114.58 118.74 1pj1 h GLU 271 Ca 0.01 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.64 1pj1 h GLU 271 Cb 0.77 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1pj1 h GLU 271 CO 0.06 0.83 -0.13 0.00 -1.40 0.00 0.00 179.01 178.37 1pj1 h TYR 273 N -0.21 -0.29 -0.85 0.00 3.20 -1.23 -2.01 116.97 115.58 1pj1 h TYR 273 Ca 0.05 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1pj1 h TYR 273 Cb 0.27 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1pj1 h TYR 273 CO -0.19 -0.18 0.55 -0.44 -1.64 0.00 0.00 178.16 176.26 1pj1 h ASP 274 N -0.10 0.78 -0.36 -2.11 3.32 -0.52 -1.81 116.42 115.62 1pj1 h ASP 274 Ca 0.12 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1pj1 h ASP 274 Cb 0.29 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1pj1 h ASP 274 CO -0.29 0.48 0.18 -0.07 -1.72 0.00 0.00 179.24 177.82 1pj1 h LEU 275 N 0.87 0.26 -0.24 1.55 3.38 -0.36 -0.64 115.31 120.13 1pj1 h LEU 275 Ca 0.38 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 1pj1 h LEU 275 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1pj1 h LEU 275 CO -0.15 0.19 0.01 -0.26 0.09 0.00 0.00 178.44 178.32 1pj1 h PHE 276 N 0.36 0.45 -0.61 1.13 0.04 -1.21 -1.09 116.94 116.01 1pj1 h PHE 276 Ca 0.15 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.90 1pj1 h PHE 276 Cb 0.07 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 1pj1 h PHE 276 CO -0.10 0.58 0.33 0.28 -0.60 0.00 0.00 178.31 178.80 1pj1 h VAL 277 N 0.19 0.98 -0.28 -0.55 2.07 -1.16 0.84 116.25 118.34 1pj1 h VAL 277 Ca 0.07 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1pj1 h VAL 277 Cb 0.40 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1pj1 h VAL 277 CO 0.01 0.12 0.11 1.56 0.02 0.00 0.00 177.57 179.39 1pj1 h GLN 278 N 0.63 0.41 -0.53 1.57 1.08 -0.98 -1.92 115.11 115.37 1pj1 h GLN 278 Ca 0.27 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1pj1 h GLN 278 Cb 0.15 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1pj1 h GLN 278 CO -0.16 0.44 0.29 0.00 -0.95 0.00 0.00 178.83 178.45 1pj1 h ALA 279 N 0.96 0.68 -0.30 3.87 0.00 -0.79 -1.21 119.26 122.47 1pj1 h ALA 279 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pj1 h ALA 279 Cb 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1pj1 h ALA 279 CO -0.01 0.20 0.07 0.00 0.00 0.00 0.00 179.25 179.51 1pj1 h ALA 280 N 1.13 0.32 -0.91 0.00 0.00 -0.71 -0.92 119.26 118.17 1pj1 h ALA 280 Ca 0.19 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pj1 h ALA 280 Cb 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1pj1 h ALA 280 CO -0.03 -0.34 0.59 0.37 0.00 0.00 0.00 179.25 179.85 1pj1 h GLN 281 N 0.19 1.13 -0.41 0.00 5.75 -0.96 -1.00 115.11 119.82 1pj1 h GLN 281 Ca 0.14 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1pj1 h GLN 281 Cb 0.13 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1pj1 h GLN 281 CO -0.17 0.75 0.24 1.96 -2.65 0.00 0.00 178.83 178.96 1pj1 h GLN 282 N 1.17 0.56 -0.54 1.69 4.20 -0.57 0.17 115.11 121.79 1pj1 h GLN 282 Ca 0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1pj1 h GLN 282 Cb -0.04 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1pj1 h GLN 282 CO -0.11 0.42 0.30 0.93 -0.67 0.00 0.00 178.83 179.71 1pj1 h GLU 283 N 0.53 0.74 0.03 1.46 4.39 -0.56 -2.36 114.58 118.81 1pj1 h GLU 283 Ca 0.15 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1pj1 h GLU 283 Cb 0.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1pj1 h GLU 283 CO -0.03 0.54 -0.02 0.87 -1.16 0.00 0.00 179.01 179.22 1pj1 h LYS 284 N 0.75 -0.04 -0.30 2.33 1.57 -0.51 -3.19 116.57 117.17 1pj1 h LYS 284 Ca 0.19 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1pj1 h LYS 284 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pj1 h LYS 284 CO -0.03 0.50 0.29 -0.44 -0.57 0.00 0.00 179.45 179.20 1pj1 h ASP 285 N -0.61 0.00 0.15 0.86 3.32 -0.50 0.76 116.42 120.39 1pj1 h ASP 285 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1pj1 h ASP 285 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1pj1 h ASP 285 CO 0.01 0.00 -0.09 -0.25 -1.72 0.00 0.00 179.24 177.19 1pj1 h TRP 286 N 0.00 0.00 -0.98 4.55 2.91 -1.41 -2.85 115.95 118.17 1pj1 h TRP 286 Ca 0.14 0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.30 1pj1 h TRP 286 Cb 0.73 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 29.29 1pj1 h TRP 286 CO 0.00 0.09 0.61 0.00 -1.03 0.00 0.00 178.44 178.10 1pj1 h ALA 287 N 1.91 1.50 -0.75 2.65 0.00 -0.96 -1.44 119.26 122.18 1pj1 h ALA 287 Ca -0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1pj1 h ALA 287 Cb 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1pj1 h ALA 287 CO 0.01 0.15 0.40 -0.44 0.00 0.00 0.00 179.25 179.37 1pj1 h ASP 288 N 0.92 0.55 -0.01 0.00 3.32 -1.68 -0.88 116.42 118.64 1pj1 h ASP 288 Ca 0.50 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.58 1pj1 h ASP 288 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1pj1 h ASP 288 CO -0.29 0.31 -0.10 0.22 -1.72 0.00 0.00 179.24 177.67 1pj1 h TYR 289 N 0.68 0.11 -0.87 4.55 3.20 -1.53 -2.81 116.97 120.29 1pj1 h TYR 289 Ca 0.37 -0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.31 1pj1 h TYR 289 Cb 0.36 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 1pj1 h TYR 289 CO -0.09 0.81 0.48 1.25 -1.64 0.00 0.00 178.16 178.98 1pj1 h LEU 290 N -0.62 0.65 -3.68 2.82 5.85 -1.08 -2.26 115.31 116.98 1pj1 h LEU 290 Ca -0.01 0.07 -0.36 0.00 0.84 0.00 0.00 57.88 58.42 1pj1 h LEU 290 Cb 0.83 -0.04 -0.21 0.00 0.37 0.00 0.00 40.66 41.60 1pj1 h LEU 290 CO 0.02 0.31 0.28 0.49 -0.34 0.00 0.00 178.44 179.20 1pj1 n PHE 291 N -4.79 2.11 -0.09 1.25 3.72 -0.36 -4.42 117.46 114.88 1pj1 n PHE 291 Ca 0.16 -1.79 -0.06 0.00 -0.05 0.00 0.00 57.45 55.72 1pj1 n PHE 291 Cb 0.38 -0.74 0.13 0.00 -0.94 0.00 0.00 39.48 38.32 1pj1 n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1pj1 h ARG 292 N 1.06 0.76 -0.65 -1.08 0.11 -1.13 -2.87 114.38 110.59 1pj1 h ARG 292 Ca 0.43 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1pj1 h ARG 292 Cb 2.19 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 33.20 1pj1 h ARG 292 CO 0.77 0.84 0.00 -0.25 0.10 0.00 0.00 179.97 181.43 1pj1 n ASP 293 N -4.16 4.47 0.00 0.08 8.00 -1.26 -5.03 116.55 118.65 1pj1 n ASP 293 Ca 0.01 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.06 1pj1 n ASP 293 Cb 0.36 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1pj1 n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pj1 n GLY 294 N 1.02 2.96 0.00 0.44 0.00 -1.08 -4.72 105.19 103.81 1pj1 n GLY 294 Ca 0.24 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1pj1 n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pj1 n SER 295 N 0.00 1.74 -4.35 1.61 3.41 -1.26 -4.55 113.62 110.22 1pj1 n SER 295 Ca 0.00 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.65 1pj1 n SER 295 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1pj1 n SER 295 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1pj1 s MET 296 N -1.27 1.35 0.08 4.33 -1.94 -0.65 -4.98 119.30 116.23 1pj1 s MET 296 Ca 0.00 -1.64 -0.31 0.00 -1.71 0.00 0.00 55.69 52.03 1pj1 s MET 296 Cb 0.00 -0.95 -0.09 0.00 2.01 0.00 0.00 34.83 35.80 1pj1 s MET 296 CO 0.00 0.07 1.70 0.42 -0.01 0.00 0.00 175.02 177.20 1pj1 s ILE 297 N -3.13 2.94 0.00 2.53 -1.09 -1.26 -1.56 121.20 119.62 1pj1 s ILE 297 Ca 0.25 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1pj1 s ILE 297 Cb 0.02 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1pj1 s ILE 297 CO 0.08 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1pj1 n GLY 298 N 4.07 1.49 2.59 6.18 0.00 -1.26 -4.97 105.19 113.30 1pj1 n GLY 298 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1pj1 n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj1 s LEU 299 N 0.00 0.37 0.35 0.99 2.96 -0.60 -5.00 118.68 117.73 1pj1 s LEU 299 Ca 0.00 -1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 1pj1 s LEU 299 Cb 0.00 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.52 1pj1 s LEU 299 CO 0.00 -0.41 0.52 0.54 -1.32 0.00 0.00 176.35 175.68 1pj1 s ASN 300 N 2.15 0.75 0.18 3.68 2.20 -1.26 -1.63 114.94 121.01 1pj1 s ASN 300 Ca 0.07 -1.42 -0.14 0.00 -0.94 0.00 0.00 52.86 50.44 1pj1 s ASN 300 Cb -0.16 0.69 0.15 0.00 -2.00 0.00 0.00 41.25 39.93 1pj1 s ASN 300 CO -0.29 -1.35 1.71 0.50 -2.94 0.00 0.00 177.10 174.74 1pj1 h LYS 301 N 2.10 0.19 -0.50 3.55 3.64 -1.97 -0.75 116.57 122.82 1pj1 h LYS 301 Ca -0.29 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1pj1 h LYS 301 Cb 1.24 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1pj1 h LYS 301 CO 0.39 0.12 0.33 -0.44 -2.27 0.00 0.00 179.45 177.59 1pj1 h ASP 302 N 0.19 0.57 -0.60 4.20 5.19 -1.99 -0.89 116.42 123.10 1pj1 h ASP 302 Ca 0.22 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 1pj1 h ASP 302 Cb 0.29 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1pj1 h ASP 302 CO -0.31 0.42 0.15 0.40 -3.12 0.00 0.00 179.24 176.77 1pj1 h ILE 303 N 0.68 1.25 -0.47 0.35 2.04 -1.86 -1.47 117.51 118.03 1pj1 h ILE 303 Ca 0.19 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1pj1 h ILE 303 Cb -0.07 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1pj1 h ILE 303 CO -0.04 0.34 0.23 0.25 0.00 0.00 0.00 178.15 178.92 1pj1 h LEU 304 N 0.86 0.61 -0.76 1.44 6.46 -0.86 -0.81 115.31 122.25 1pj1 h LEU 304 Ca 0.19 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1pj1 h LEU 304 Cb 0.35 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1pj1 h LEU 304 CO 0.00 0.56 0.34 0.00 -0.62 0.00 0.00 178.44 178.72 1pj1 h GLN 306 N 1.08 1.04 -0.47 0.00 4.20 -0.98 -2.20 115.11 117.78 1pj1 h GLN 306 Ca 0.26 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1pj1 h GLN 306 Cb 0.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1pj1 h GLN 306 CO -0.03 0.89 -0.23 -0.92 -0.67 0.00 0.00 178.83 177.87 1pj1 h TYR 307 N 0.98 1.14 -0.42 2.96 3.20 -0.72 -1.46 116.97 122.66 1pj1 h TYR 307 Ca 0.22 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1pj1 h TYR 307 Cb 0.26 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1pj1 h TYR 307 CO 0.02 1.11 0.23 0.28 -1.64 0.00 0.00 178.16 178.17 1pj1 h VAL 308 N 0.85 1.02 -0.65 1.81 2.07 -0.79 -0.51 116.25 120.05 1pj1 h VAL 308 Ca 0.11 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1pj1 h VAL 308 Cb 0.81 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1pj1 h VAL 308 CO 0.07 0.09 0.09 -0.33 0.02 0.00 0.00 177.57 177.51 1pj1 h GLU 309 N 0.47 1.09 0.47 1.57 5.08 -1.31 -0.08 114.58 121.87 1pj1 h GLU 309 Ca 0.17 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1pj1 h GLU 309 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1pj1 h GLU 309 CO -0.09 1.01 -0.38 -0.92 -1.00 0.00 0.00 179.01 177.63 1pj1 h TYR 310 N 1.01 -1.02 -0.40 4.33 3.20 -0.78 -2.08 116.97 121.23 1pj1 h TYR 310 Ca 0.20 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 1pj1 h TYR 310 Cb 0.46 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1pj1 h TYR 310 CO 0.03 -0.55 -0.25 0.97 -1.64 0.00 0.00 178.16 176.73 1pj1 h ILE 311 N -0.84 1.27 -0.40 1.81 6.09 -1.07 -2.97 117.51 121.41 1pj1 h ILE 311 Ca -0.05 -1.38 0.03 0.00 -1.37 0.00 0.00 64.86 62.09 1pj1 h ILE 311 Cb 0.72 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 39.21 1pj1 h ILE 311 CO -0.01 0.46 0.21 0.74 -3.07 0.00 0.00 178.15 176.48 1pj1 h THR 312 N 0.71 0.98 -0.53 2.19 2.02 -0.93 -0.30 112.91 117.05 1pj1 h THR 312 Ca 0.09 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1pj1 h THR 312 Cb 0.78 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1pj1 h THR 312 CO 0.06 0.08 0.28 0.78 0.37 0.00 0.00 175.52 177.09 1pj1 h ASN 313 N 0.42 0.42 -0.25 4.18 4.21 -1.34 -0.03 115.58 123.19 1pj1 h ASN 313 Ca 0.17 0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.72 1pj1 h ASN 313 Cb 0.07 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1pj1 h ASN 313 CO -0.11 0.29 0.13 0.40 -1.29 0.00 0.00 177.43 176.85 1pj1 h ILE 314 N 0.55 1.01 -0.61 2.81 2.04 -1.25 -1.66 117.51 120.40 1pj1 h ILE 314 Ca 0.23 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.91 1pj1 h ILE 314 Cb 0.12 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1pj1 h ILE 314 CO -0.15 0.05 0.04 0.03 0.00 0.00 0.00 178.15 178.13 1pj1 h ARG 315 N 0.28 1.04 -0.20 2.37 2.47 -0.68 -2.63 114.38 117.03 1pj1 h ARG 315 Ca 0.10 -0.31 -0.10 0.00 -1.26 0.00 0.00 59.98 58.41 1pj1 h ARG 315 Cb 0.01 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1pj1 h ARG 315 CO -0.06 1.00 -0.29 0.52 0.56 0.00 0.00 179.97 181.71 1pj1 h MET 316 N 0.94 0.39 0.00 0.04 2.86 -0.87 -2.53 114.93 115.77 1pj1 h MET 316 Ca 0.18 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1pj1 h MET 316 Cb 0.50 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1pj1 h MET 316 CO 0.02 0.65 -0.46 0.37 1.06 0.00 0.00 176.91 178.55 1pj1 h GLN 317 N 0.34 0.00 0.00 1.72 4.15 -1.18 0.51 115.11 120.66 1pj1 h GLN 317 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1pj1 h GLN 317 Cb 0.69 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 1pj1 h GLN 317 CO 0.05 0.46 -0.05 0.00 -1.93 0.00 0.00 178.83 177.37 1pj1 h ALA 318 N 1.54 1.04 -0.16 3.38 0.00 -1.07 -2.60 119.26 121.38 1pj1 h ALA 318 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pj1 h ALA 318 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pj1 h ALA 318 CO 0.06 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.70 1pj1 n VAL 319 N -3.20 2.01 -1.04 0.00 0.24 -1.06 -4.99 118.33 110.29 1pj1 n VAL 319 Ca -0.00 -1.93 -0.02 0.00 -2.04 0.00 0.00 64.34 60.35 1pj1 n VAL 319 Cb 0.28 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 1pj1 n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj1 n GLY 320 N -0.79 0.52 3.90 7.63 0.00 -0.98 -4.97 105.19 110.50 1pj1 n GLY 320 Ca 0.18 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1pj1 n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj1 s LEU 321 N -0.34 4.19 0.70 0.99 1.43 0.15 -5.00 118.68 120.80 1pj1 s LEU 321 Ca 0.00 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 1pj1 s LEU 321 Cb 0.00 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1pj1 s LEU 321 CO 0.00 -0.05 1.15 -1.81 0.23 0.00 0.00 176.35 175.86 1pj1 s ASP 322 N -2.77 4.66 -0.19 2.29 1.01 -1.26 -4.05 116.67 116.36 1pj1 s ASP 322 Ca 0.42 2.13 -0.21 0.00 0.71 0.00 0.00 52.55 55.60 1pj1 s ASP 322 Cb -0.11 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 1pj1 s ASP 322 CO 0.26 -1.94 0.65 -0.76 0.21 0.00 0.00 175.17 173.60 1pj1 s LEU 323 N -5.08 4.15 0.17 1.23 1.43 -1.26 -4.87 118.68 114.45 1pj1 s LEU 323 Ca 0.69 0.88 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 1pj1 s LEU 323 Cb -0.24 -2.93 -0.11 0.00 0.03 0.00 0.00 46.19 42.94 1pj1 s LEU 323 CO 0.44 -0.28 1.33 1.55 0.23 0.00 0.00 176.35 179.61 1pj1 h PRO 324 N 7.44 0.00 -6.18 1.29 0.13 -1.95 -3.47 132.00 129.26 1pj1 h PRO 324 Ca -0.31 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 1pj1 h PRO 324 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1pj1 h PRO 324 CO 0.78 0.81 -0.47 -0.06 -0.23 0.00 0.00 178.00 178.84 1pj1 s PHE 325 N -2.80 3.35 0.41 1.56 0.08 -1.26 -5.07 117.98 114.26 1pj1 s PHE 325 Ca 0.02 -0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.78 1pj1 s PHE 325 Cb 0.09 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.92 1pj1 s PHE 325 CO 0.79 0.47 1.37 1.21 -0.10 0.00 0.00 175.22 178.97 1pj1 s ASN 326 N -3.82 6.20 0.54 1.36 2.47 -1.26 -4.94 114.94 115.48 1pj1 s ASN 326 Ca 0.34 2.80 -0.20 0.00 0.42 0.00 0.00 52.86 56.22 1pj1 s ASN 326 Cb -0.09 -2.65 -0.06 0.00 -1.45 0.00 0.00 41.25 37.00 1pj1 s ASN 326 CO 0.28 -0.94 1.14 0.42 -3.72 0.00 0.00 177.10 174.27 1pj1 s THR 327 N -1.21 3.14 0.09 -5.21 -4.23 -1.26 -4.91 115.64 102.04 1pj1 s THR 327 Ca 0.57 0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 61.54 1pj1 s THR 327 Cb -0.41 -3.30 0.08 0.00 1.34 0.00 0.00 72.50 70.21 1pj1 s THR 327 CO 0.54 -0.14 0.90 0.00 -0.54 0.00 0.00 174.62 175.37 1pj1 s ARG 328 N -3.24 1.06 0.65 3.99 1.70 -1.26 -5.15 118.95 116.69 1pj1 s ARG 328 Ca 0.72 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 55.37 1pj1 s ARG 328 Cb -0.24 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 1pj1 s ARG 328 CO 0.28 -0.48 1.04 -1.12 -1.08 0.00 0.00 175.30 173.95 1pj1 s SER 329 N -2.73 5.89 0.01 -2.89 0.01 -1.26 -4.96 113.70 107.76 1pj1 s SER 329 Ca 0.08 1.26 -0.30 0.00 1.31 0.00 0.00 55.95 58.31 1pj1 s SER 329 Cb -0.01 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1pj1 s SER 329 CO -0.03 -1.06 1.95 0.21 0.41 0.00 0.00 173.24 174.72 1pj1 s ASN 330 N -4.26 6.39 0.16 2.44 3.84 -1.26 -4.85 114.94 117.40 1pj1 s ASN 330 Ca 0.56 2.56 0.22 0.00 0.21 0.00 0.00 52.86 56.41 1pj1 s ASN 330 Cb -0.11 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.94 1pj1 s ASN 330 CO 0.52 -1.12 1.67 -0.81 -2.79 0.00 0.00 177.10 174.58 1pj1 n PRO 331 N 7.60 0.13 -3.20 0.43 -0.04 -1.26 -3.93 135.00 134.74 1pj1 n PRO 331 Ca 0.20 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.74 1pj1 n PRO 331 Cb 0.42 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1pj1 n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1pj1 n ILE 332 N -1.97 -0.19 0.33 0.52 -5.35 -1.26 -4.95 119.36 106.48 1pj1 n ILE 332 Ca 0.03 -4.33 0.19 0.00 -0.27 0.00 0.00 62.75 58.38 1pj1 n ILE 332 Cb 0.25 -1.43 0.99 0.00 -1.74 0.00 0.00 39.64 37.72 1pj1 n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1pj1 h PRO 333 N 3.67 0.00 0.00 6.28 0.13 -1.99 -1.09 132.00 139.00 1pj1 h PRO 333 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1pj1 h PRO 333 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1pj1 h PRO 333 CO 0.51 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.39 1pj1 h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.95 -2.45 115.95 118.19 1pj1 h TRP 334 Ca 0.01 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.89 1pj1 h TRP 334 Cb 0.38 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.52 1pj1 h TRP 334 CO 0.00 0.00 -0.42 0.97 -1.28 0.00 0.00 178.44 177.71 1pj1 h ILE 335 N 0.00 1.10 -0.88 0.12 2.10 -1.62 -3.03 117.51 115.31 1pj1 h ILE 335 Ca 0.00 -1.55 0.13 0.00 1.08 0.00 0.00 64.86 64.51 1pj1 h ILE 335 Cb 0.18 1.89 -0.07 0.00 -1.09 0.00 0.00 36.82 37.73 1pj1 h ILE 335 CO 0.00 0.41 0.57 0.78 -1.08 0.00 0.00 178.15 178.83 1pj1 h ASN 336 N 0.00 0.69 -0.80 2.19 2.35 -1.65 -0.97 115.58 117.39 1pj1 h ASN 336 Ca -0.00 0.03 0.12 0.00 -0.55 0.00 0.00 56.30 55.89 1pj1 h ASN 336 Cb 0.85 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 39.03 1pj1 h ASN 336 CO 0.05 0.37 0.42 0.74 -1.65 0.00 0.00 177.43 177.36 1pj1 h THR 337 N 0.74 0.81 0.00 2.81 2.02 -1.72 -2.65 112.91 114.93 1pj1 h THR 337 Ca 0.43 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 1pj1 h THR 337 Cb 0.61 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1pj1 h THR 337 CO -0.19 0.12 -0.62 -0.50 0.37 0.00 0.00 175.52 174.70 1pj1 h TRP 338 N 0.66 0.00 -3.16 3.16 4.06 -1.36 -3.46 115.95 115.86 1pj1 h TRP 338 Ca 0.41 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.84 1pj1 h TRP 338 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1pj1 h TRP 338 CO -0.09 0.34 -0.15 -0.51 -3.56 0.00 0.00 178.44 174.47 1pj1 s LEU 339 N -6.14 4.06 0.00 -4.49 1.43 -0.92 -4.80 118.68 107.82 1pj1 s LEU 339 Ca 0.03 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1pj1 s LEU 339 Cb 0.07 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1pj1 s LEU 339 CO 0.75 -0.19 0.00 0.52 0.23 0.00 0.00 176.35 177.65