#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsv s TYR 2 N 0.00 3.66 -0.00 0.00 5.04 -1.26 -5.02 117.35 119.76 1rsv s TYR 2 Ca 0.00 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 1rsv s TYR 2 Cb 0.00 -2.10 -0.00 0.00 0.35 0.00 0.00 41.96 40.21 1rsv s TYR 2 CO 0.00 0.69 -0.03 -0.08 -1.34 0.00 0.00 175.55 174.79 1rsv s THR 3 N -1.06 0.24 -1.05 4.34 -1.32 -1.26 -5.02 115.64 110.50 1rsv s THR 3 Ca 0.19 -0.12 0.18 0.00 -1.21 0.00 0.00 61.69 60.73 1rsv s THR 3 Cb -0.14 -0.21 0.17 0.00 -1.51 0.00 0.00 72.50 70.81 1rsv s THR 3 CO 0.09 0.07 1.58 0.35 -2.21 0.00 0.00 174.62 174.50 1rsv n THR 4 N 3.04 0.71 -3.15 5.08 -2.24 -1.26 -4.43 114.28 112.02 1rsv n THR 4 Ca -0.13 0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1rsv n THR 4 Cb 0.59 -0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1rsv n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1rsv s PHE 5 N -2.95 -1.67 -0.04 4.78 2.19 -1.26 -4.90 117.98 114.13 1rsv s PHE 5 Ca 0.10 0.72 -0.30 0.00 0.33 0.00 0.00 56.93 57.78 1rsv s PHE 5 Cb 0.12 0.29 -0.05 0.00 -1.31 0.00 0.00 43.02 42.07 1rsv s PHE 5 CO 0.33 -1.03 1.45 -1.54 1.83 0.00 0.00 175.22 176.26 1rsv s SER 6 N 2.49 6.82 0.00 6.13 1.04 -1.26 -4.89 113.70 124.02 1rsv s SER 6 Ca 0.13 2.07 0.31 0.00 0.48 0.00 0.00 55.95 58.95 1rsv s SER 6 Cb -0.07 -2.55 1.73 0.00 0.10 0.00 0.00 66.02 65.23 1rsv s SER 6 CO -0.19 -0.78 2.13 0.00 0.98 0.00 0.00 173.24 175.38 1rsv n GLN 7 N 6.05 1.09 -2.98 4.02 1.13 -1.26 -4.69 117.38 120.74 1rsv n GLN 7 Ca 0.14 -0.17 -0.40 0.00 -1.94 0.00 0.00 57.00 54.63 1rsv n GLN 7 Cb 0.44 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 1rsv n GLN 7 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1rsv s THR 8 N -2.03 4.62 0.06 5.09 2.01 -1.26 -5.01 115.64 119.12 1rsv s THR 8 Ca 0.45 1.65 -0.31 0.00 0.31 0.00 0.00 61.69 63.80 1rsv s THR 8 Cb 0.22 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 1rsv s THR 8 CO 0.37 0.42 1.21 -0.75 -0.69 0.00 0.00 174.62 175.17 1rsv s LYS 9 N -0.41 4.42 -0.01 4.92 2.20 -1.26 -5.00 119.74 124.60 1rsv s LYS 9 Ca 0.38 1.78 -0.15 0.00 -0.36 0.00 0.00 55.97 57.62 1rsv s LYS 9 Cb -0.21 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1rsv s LYS 9 CO 0.24 -0.27 0.30 0.54 -0.36 0.00 0.00 175.35 175.80 1rsv s ASN 10 N 1.07 -0.18 -0.45 1.43 4.22 -1.26 -5.10 114.94 114.67 1rsv s ASN 10 Ca 0.59 0.07 -0.29 0.00 -2.14 0.00 0.00 52.86 51.09 1rsv s ASN 10 Cb -0.30 0.31 0.03 0.00 1.28 0.00 0.00 41.25 42.57 1rsv s ASN 10 CO 0.29 -0.45 1.12 -0.62 -2.04 0.00 0.00 177.10 175.40 1rsv s ASP 11 N -1.34 6.68 0.25 3.54 -1.08 -1.26 -4.87 116.67 118.59 1rsv s ASP 11 Ca -0.14 0.56 0.24 0.00 -0.52 0.00 0.00 52.55 52.69 1rsv s ASP 11 Cb -0.05 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.82 1rsv s ASP 11 CO 0.04 -1.18 1.71 0.00 0.52 0.00 0.00 175.17 176.26 1rsv n GLN 12 N 7.64 0.20 0.19 4.34 6.02 -1.26 -2.40 117.38 132.11 1rsv n GLN 12 Ca 0.12 0.40 0.07 0.00 -0.01 0.00 0.00 57.00 57.58 1rsv n GLN 12 Cb 0.49 -1.86 0.22 0.00 1.02 0.00 0.00 30.24 30.11 1rsv n GLN 12 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1rsv h LEU 13 N 0.00 0.00 -1.08 1.08 3.38 -1.95 -3.27 115.31 113.47 1rsv h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rsv h LEU 13 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1rsv h LEU 13 CO 0.00 0.29 -0.35 0.29 0.09 0.00 0.00 178.44 178.76 1rsv n LYS 14 N -3.25 1.36 -1.42 1.13 5.02 -1.01 -4.76 118.16 115.24 1rsv n LYS 14 Ca 0.02 -1.08 -0.31 0.00 -2.02 0.00 0.00 58.31 54.92 1rsv n LYS 14 Cb 0.58 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 34.19 1rsv n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rsv s GLU 15 N -2.38 2.27 0.65 1.97 0.41 -1.22 -5.04 118.70 115.36 1rsv s GLU 15 Ca 0.22 0.93 -0.06 0.00 -0.41 0.00 0.00 54.97 55.64 1rsv s GLU 15 Cb 0.19 -1.92 0.03 0.00 -1.78 0.00 0.00 34.13 30.65 1rsv s GLU 15 CO 0.51 -1.56 0.96 -1.25 -0.49 0.00 0.00 175.26 173.43 1rsv s PRO 16 N -5.01 2.57 0.11 0.39 0.04 -1.26 -4.93 135.00 126.90 1rsv s PRO 16 Ca 0.60 -0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.27 1rsv s PRO 16 Cb -0.16 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1rsv s PRO 16 CO 0.55 -0.97 1.67 0.52 0.04 0.00 0.00 177.00 178.81 1rsv h MET 17 N -0.39 -0.33 -5.83 4.56 2.86 -1.93 -3.37 114.93 110.51 1rsv h MET 17 Ca -0.45 0.02 -0.62 0.00 -2.06 0.00 0.00 59.70 56.60 1rsv h MET 17 Cb 1.29 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.89 1rsv h MET 17 CO 0.60 -0.22 -0.63 -0.06 1.06 0.00 0.00 176.91 177.67 1rsv s PHE 18 N -6.11 2.48 0.00 -0.22 0.08 -1.26 -0.08 117.98 112.87 1rsv s PHE 18 Ca -0.15 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1rsv s PHE 18 Cb 0.08 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 1rsv s PHE 18 CO 0.66 0.49 0.00 1.19 -0.10 0.00 0.00 175.22 177.46 1rsv n PHE 19 N -0.91 0.00 -0.48 0.36 3.72 -0.01 -4.80 117.46 115.34 1rsv n PHE 19 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1rsv n PHE 19 Cb 0.65 -1.81 0.00 0.00 -0.94 0.00 0.00 39.48 37.38 1rsv n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rsv n GLY 20 N 0.12 1.19 3.74 1.37 0.00 -1.26 -5.00 105.19 105.34 1rsv n GLY 20 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1rsv n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rsv s GLN 21 N 1.62 4.51 0.62 1.61 0.74 -1.26 -4.86 119.66 122.64 1rsv s GLN 21 Ca 0.00 1.84 -0.19 0.00 0.05 0.00 0.00 55.36 57.06 1rsv s GLN 21 Cb 0.00 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 1rsv s GLN 21 CO 0.00 -0.05 1.30 -2.30 -0.55 0.00 0.00 175.29 173.68 1rsv n PRO 22 N 2.49 1.24 -2.25 1.67 -0.02 -1.26 -4.48 135.00 132.40 1rsv n PRO 22 Ca 0.04 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1rsv n PRO 22 Cb 0.45 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1rsv n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rsv s VAL 23 N -1.37 3.27 0.00 -1.45 1.01 -1.26 -4.59 120.40 116.03 1rsv s VAL 23 Ca 0.80 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1rsv s VAL 23 Cb -0.39 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1rsv s VAL 23 CO 0.42 0.16 0.00 -0.46 0.00 0.00 0.00 175.10 175.22 1rsv n ASN 24 N 2.60 0.00 -4.75 3.32 0.23 -1.26 -4.50 115.26 110.90 1rsv n ASN 24 Ca 0.06 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.70 1rsv n ASN 24 Cb 0.43 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 1rsv n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1rsv s VAL 25 N 0.00 3.47 -0.73 3.53 1.01 -1.26 -4.95 120.40 121.47 1rsv s VAL 25 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 1rsv s VAL 25 Cb 0.00 -3.86 0.15 0.00 0.00 0.00 0.00 36.38 32.67 1rsv s VAL 25 CO 0.00 0.27 0.78 0.00 0.00 0.00 0.00 175.10 176.15 1rsv s ALA 26 N -0.62 3.67 0.14 5.51 0.00 -1.26 -4.87 121.76 124.33 1rsv s ALA 26 Ca 0.49 -2.76 0.09 0.00 0.00 0.00 0.00 51.96 49.77 1rsv s ALA 26 Cb -0.33 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1rsv s ALA 26 CO 0.40 -2.41 -0.14 -0.98 0.00 0.00 0.00 175.76 172.63 1rsv s ARG 27 N 1.66 1.93 -0.05 0.00 1.70 -1.26 -5.05 118.95 117.89 1rsv s ARG 27 Ca 0.17 -1.19 0.09 0.00 -0.47 0.00 0.00 55.73 54.33 1rsv s ARG 27 Cb -0.16 -2.16 0.16 0.00 -0.57 0.00 0.00 34.95 32.22 1rsv s ARG 27 CO -0.03 0.47 1.08 0.66 -1.08 0.00 0.00 175.30 176.40 1rsv n TYR 28 N 0.50 0.00 1.21 5.89 4.01 -1.26 -4.71 117.16 122.81 1rsv n TYR 28 Ca -0.13 -0.42 0.13 0.00 -0.16 0.00 0.00 57.90 57.32 1rsv n TYR 28 Cb 0.54 -0.10 0.36 0.00 -0.31 0.00 0.00 39.34 39.82 1rsv n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1rsv n ASP 29 N -0.36 0.95 -3.51 7.72 5.75 -1.26 -4.90 116.55 120.94 1rsv n ASP 29 Ca 0.06 -0.81 -0.13 0.00 -0.01 0.00 0.00 54.79 53.91 1rsv n ASP 29 Cb 0.75 0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.95 1rsv n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rsv s GLN 30 N -2.57 1.16 -0.08 0.11 -2.07 -1.26 -5.18 119.66 109.77 1rsv s GLN 30 Ca 0.23 -0.38 -0.18 0.00 -1.82 0.00 0.00 55.36 53.21 1rsv s GLN 30 Cb 0.19 0.53 0.04 0.00 -1.09 0.00 0.00 33.01 32.68 1rsv s GLN 30 CO 0.54 -0.47 0.43 1.14 -1.32 0.00 0.00 175.29 175.62 1rsv s GLN 31 N -3.18 0.68 0.08 9.60 0.00 -1.26 -4.90 119.66 120.68 1rsv s GLN 31 Ca -0.01 0.21 -0.16 0.00 -0.00 0.00 0.00 55.36 55.40 1rsv s GLN 31 Cb -0.00 0.32 -0.11 0.00 0.00 0.00 0.00 33.01 33.21 1rsv s GLN 31 CO -0.08 -0.16 1.37 -0.22 0.00 0.00 0.00 175.29 176.21 1rsv h LYS 32 N 4.33 0.61 -3.96 9.60 3.64 -1.85 -3.40 116.57 125.54 1rsv h LYS 32 Ca -0.28 -0.35 -0.60 0.00 -1.27 0.00 0.00 60.65 58.14 1rsv h LYS 32 Cb 1.17 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1rsv h LYS 32 CO 0.33 0.96 -0.75 0.71 -2.27 0.00 0.00 179.45 178.43 1rsv s TYR 33 N -4.23 2.32 0.17 1.91 2.02 -1.26 -5.00 117.35 113.29 1rsv s TYR 33 Ca -0.13 -2.05 0.32 0.00 -0.37 0.00 0.00 57.07 54.85 1rsv s TYR 33 Cb 0.08 -2.00 1.72 0.00 -0.40 0.00 0.00 41.96 41.36 1rsv s TYR 33 CO 0.82 -0.87 1.97 0.38 -1.57 0.00 0.00 175.55 176.28 1rsv h ASP 34 N 7.95 0.00 -1.00 2.29 3.04 -1.99 -2.24 116.42 124.47 1rsv h ASP 34 Ca -0.12 0.00 0.15 0.00 -3.24 0.00 0.00 57.03 53.83 1rsv h ASP 34 Cb 1.03 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.22 1rsv h ASP 34 CO 0.47 0.00 0.62 -0.29 -2.04 0.00 0.00 179.24 178.00 1rsv h ILE 35 N 0.00 0.82 -0.52 4.15 6.09 -1.98 0.12 117.51 126.19 1rsv h ILE 35 Ca 0.00 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 63.13 1rsv h ILE 35 Cb 0.01 -0.15 -0.02 0.00 0.47 0.00 0.00 36.82 37.13 1rsv h ILE 35 CO 0.00 0.16 0.10 -0.26 -3.07 0.00 0.00 178.15 175.09 1rsv h PHE 36 N 0.89 0.82 -0.40 2.19 0.04 -1.75 0.59 116.94 119.33 1rsv h PHE 36 Ca 0.53 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 61.11 1rsv h PHE 36 Cb 0.67 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1rsv h PHE 36 CO -0.00 0.71 -0.21 1.49 -0.60 0.00 0.00 178.31 179.69 1rsv h GLU 37 N 0.77 0.84 -0.82 1.51 4.57 -1.08 -1.98 114.58 118.38 1rsv h GLU 37 Ca 0.17 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1rsv h GLU 37 Cb 0.31 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1rsv h GLU 37 CO 0.00 1.01 0.55 0.87 -1.18 0.00 0.00 179.01 180.26 1rsv h LYS 38 N 0.65 1.07 -0.41 1.92 6.56 -0.17 0.14 116.57 126.33 1rsv h LYS 38 Ca 0.09 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1rsv h LYS 38 Cb 0.77 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1rsv h LYS 38 CO 0.06 0.71 0.19 -0.07 -2.06 0.00 0.00 179.45 178.28 1rsv h LEU 39 N 1.10 0.55 -0.50 2.94 3.38 -0.69 -0.95 115.31 121.15 1rsv h LEU 39 Ca 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1rsv h LEU 39 Cb -0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1rsv h LEU 39 CO -0.07 0.54 0.31 0.40 0.09 0.00 0.00 178.44 179.71 1rsv h ILE 40 N 0.53 1.15 -0.42 1.22 2.04 -0.53 -0.05 117.51 121.43 1rsv h ILE 40 Ca 0.14 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1rsv h ILE 40 Cb 0.14 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1rsv h ILE 40 CO -0.02 0.15 0.28 -0.33 0.00 0.00 0.00 178.15 178.23 1rsv h GLU 41 N 0.67 0.56 -0.46 2.37 5.08 -0.73 -1.30 114.58 120.76 1rsv h GLU 41 Ca 0.18 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1rsv h GLU 41 Cb -0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1rsv h GLU 41 CO -0.04 0.38 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.98 1rsv h LYS 42 N 0.57 0.88 -0.45 2.33 1.63 -0.88 -1.37 116.57 119.29 1rsv h LYS 42 Ca 0.16 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 1rsv h LYS 42 Cb -0.06 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1rsv h LYS 42 CO -0.03 0.97 -0.09 0.37 -3.45 0.00 0.00 179.45 177.21 1rsv h GLN 43 N 0.78 0.80 -0.45 1.90 5.75 -0.79 -0.49 115.11 122.61 1rsv h GLN 43 Ca 0.12 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.25 1rsv h GLN 43 Cb 0.68 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1rsv h GLN 43 CO 0.05 0.86 -0.17 -0.07 -2.65 0.00 0.00 178.83 176.85 1rsv h LEU 44 N 0.72 0.87 -1.50 -2.39 3.38 -1.05 -2.08 115.31 113.27 1rsv h LEU 44 Ca 0.13 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rsv h LEU 44 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rsv h LEU 44 CO 0.04 1.03 0.00 0.77 0.09 0.00 0.00 178.44 180.37 1rsv h SER 45 N 0.76 0.00 -0.03 -0.43 4.64 -0.63 -2.52 113.55 115.35 1rsv h SER 45 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1rsv h SER 45 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1rsv h SER 45 CO 0.05 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.50 1rsv n PHE 46 N -3.02 0.01 -1.56 4.77 3.72 -0.25 -4.98 117.46 116.15 1rsv n PHE 46 Ca 0.00 -0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.87 1rsv n PHE 46 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.76 1rsv n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rsv n PHE 47 N 0.44 1.17 -3.86 1.38 7.35 -0.95 -4.98 117.46 118.01 1rsv n PHE 47 Ca 0.18 0.77 -0.09 0.00 -0.76 0.00 0.00 57.45 57.55 1rsv n PHE 47 Cb 0.41 -2.25 -0.07 0.00 0.35 0.00 0.00 39.48 37.92 1rsv n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1rsv s TRP 48 N 0.19 0.16 -0.23 -5.13 1.48 -1.26 -5.12 118.94 109.02 1rsv s TRP 48 Ca 0.84 -0.59 0.01 0.00 -1.06 0.00 0.00 56.10 55.30 1rsv s TRP 48 Cb -1.02 -0.06 0.04 0.00 -1.16 0.00 0.00 33.47 31.27 1rsv s TRP 48 CO 0.51 -0.56 -0.13 1.03 -4.06 0.00 0.00 176.95 173.75 1rsv s ARG 49 N -3.87 2.60 0.27 3.25 0.52 -1.26 -5.02 118.95 115.44 1rsv s ARG 49 Ca 0.06 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1rsv s ARG 49 Cb 0.05 -2.82 0.59 0.00 0.52 0.00 0.00 34.95 33.29 1rsv s ARG 49 CO -0.10 -0.42 1.62 -1.35 0.02 0.00 0.00 175.30 175.06 1rsv h PRO 50 N 7.88 0.10 -0.33 3.54 0.11 -1.95 0.41 132.00 141.76 1rsv h PRO 50 Ca -0.30 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.90 1rsv h PRO 50 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rsv h PRO 50 CO 0.54 0.07 0.26 0.93 -0.21 0.00 0.00 178.00 179.59 1rsv h GLU 51 N 0.10 0.00 0.00 1.05 3.07 -1.95 0.30 114.58 117.16 1rsv h GLU 51 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1rsv h GLU 51 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1rsv h GLU 51 CO -0.74 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 174.96 1rsv n GLU 52 N -4.25 0.42 -4.06 2.33 0.00 0.14 -4.59 120.64 110.62 1rsv n GLU 52 Ca 0.05 0.05 -0.35 0.00 0.00 0.00 0.00 57.16 56.91 1rsv n GLU 52 Cb 0.43 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.25 1rsv n GLU 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rsv s VAL 53 N -2.20 4.07 -0.08 6.31 1.01 0.11 -5.07 120.40 124.54 1rsv s VAL 53 Ca 0.21 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1rsv s VAL 53 Cb 0.11 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1rsv s VAL 53 CO 0.21 0.43 1.25 -0.62 0.00 0.00 0.00 175.10 176.36 1rsv s ASP 54 N 0.94 6.99 -0.06 3.32 2.15 -1.26 -4.89 116.67 123.86 1rsv s ASP 54 Ca 0.02 1.81 0.08 0.00 0.43 0.00 0.00 52.55 54.89 1rsv s ASP 54 Cb -0.14 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 40.05 1rsv s ASP 54 CO 0.02 -0.66 1.02 1.33 -0.17 0.00 0.00 175.17 176.71 1rsv n VAL 55 N 4.87 1.20 -0.27 1.11 0.24 -1.26 -4.40 118.33 119.81 1rsv n VAL 55 Ca 0.12 -1.37 0.05 0.00 -2.04 0.00 0.00 64.34 61.10 1rsv n VAL 55 Cb 0.45 0.22 0.14 0.00 -1.47 0.00 0.00 33.84 33.19 1rsv n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1rsv h SER 56 N 0.00 -0.55 0.18 -1.34 4.64 -1.91 -2.25 113.55 112.32 1rsv h SER 56 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1rsv h SER 56 Cb 0.85 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1rsv h SER 56 CO 0.00 -0.24 -0.07 0.54 -0.87 0.00 0.00 176.83 176.19 1rsv n ARG 57 N -5.44 1.01 0.12 4.77 1.74 -1.26 -4.04 116.66 113.55 1rsv n ARG 57 Ca 0.13 -0.40 -0.01 0.00 -0.77 0.00 0.00 57.85 56.80 1rsv n ARG 57 Cb 0.47 -1.49 0.22 0.00 -1.02 0.00 0.00 32.46 30.64 1rsv n ARG 57 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1rsv h ASP 58 N 0.96 0.14 -0.01 0.55 5.19 -1.72 -3.02 116.42 118.51 1rsv h ASP 58 Ca 0.00 -0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1rsv h ASP 58 Cb 0.34 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.76 1rsv h ASP 58 CO 0.00 0.60 -0.34 -0.09 -3.12 0.00 0.00 179.24 176.29 1rsv h ARG 59 N 0.10 -0.47 -0.42 3.56 2.43 -1.70 1.31 114.38 119.19 1rsv h ARG 59 Ca 0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1rsv h ARG 59 Cb 0.90 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1rsv h ARG 59 CO 0.07 -0.31 -0.09 -0.84 -1.51 0.00 0.00 179.97 177.28 1rsv h ILE 60 N -0.49 1.25 -0.36 1.20 -2.65 -1.84 0.08 117.51 114.70 1rsv h ILE 60 Ca 0.06 -1.11 -0.02 0.00 1.03 0.00 0.00 64.86 64.82 1rsv h ILE 60 Cb 0.58 1.03 -0.02 0.00 -2.05 0.00 0.00 36.82 36.36 1rsv h ILE 60 CO -0.28 0.38 0.15 0.44 0.03 0.00 0.00 178.15 178.87 1rsv h ASP 61 N 0.67 0.49 -0.23 2.16 5.19 -1.22 0.16 116.42 123.64 1rsv h ASP 61 Ca 0.12 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1rsv h ASP 61 Cb 0.55 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1rsv h ASP 61 CO 0.03 0.51 0.13 0.22 -3.12 0.00 0.00 179.24 177.01 1rsv h TYR 62 N 0.44 0.25 -0.26 4.55 3.20 0.21 -2.57 116.97 122.78 1rsv h TYR 62 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1rsv h TYR 62 Cb 0.16 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1rsv h TYR 62 CO -0.01 0.15 -0.06 0.37 -1.64 0.00 0.00 178.16 176.97 1rsv h GLN 63 N 0.28 0.41 0.00 1.82 5.75 -0.61 -2.71 115.11 120.04 1rsv h GLN 63 Ca 0.09 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rsv h GLN 63 Cb -0.00 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1rsv h GLN 63 CO -0.04 0.49 0.00 0.00 -2.65 0.00 0.00 178.83 176.63 1rsv h ALA 64 N 1.55 1.00 -2.51 3.38 0.00 -0.47 -3.46 119.26 118.75 1rsv h ALA 64 Ca 0.08 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1rsv h ALA 64 Cb 0.36 0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.34 1rsv h ALA 64 CO 0.02 0.00 -0.22 1.28 0.00 0.00 0.00 179.25 180.33 1rsv n LEU 65 N -2.77 1.75 -4.79 0.00 4.77 -0.99 -4.93 117.00 110.04 1rsv n LEU 65 Ca 0.04 0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 56.28 1rsv n LEU 65 Cb 0.46 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.25 1rsv n LEU 65 CO 0.31 -2.75 0.74 -2.84 -1.33 0.00 0.00 177.39 171.52 1rsv s PRO 66 N -3.04 3.57 0.19 3.23 0.02 -1.26 -4.77 135.00 132.93 1rsv s PRO 66 Ca 0.68 1.43 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 1rsv s PRO 66 Cb -0.34 -2.05 0.16 0.00 0.02 0.00 0.00 34.50 32.29 1rsv s PRO 66 CO 0.56 -0.64 1.65 1.49 -0.33 0.00 0.00 177.00 179.72 1rsv h GLU 67 N 1.27 -0.01 -0.41 5.54 4.57 -1.95 0.64 114.58 124.23 1rsv h GLU 67 Ca -0.49 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1rsv h GLU 67 Cb 1.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1rsv h GLU 67 CO 0.58 -0.01 0.27 1.12 -1.18 0.00 0.00 179.01 179.80 1rsv h HIS 68 N -0.01 0.41 -0.10 0.92 2.07 -1.91 -1.47 115.15 115.06 1rsv h HIS 68 Ca 0.24 0.01 -0.17 0.00 -2.85 0.00 0.00 60.37 57.60 1rsv h HIS 68 Cb 0.38 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 1rsv h HIS 68 CO -0.44 0.24 -0.66 0.93 -3.07 0.00 0.00 177.93 174.94 1rsv h GLU 69 N 0.43 0.41 -0.70 5.12 5.08 -1.30 -2.18 114.58 121.45 1rsv h GLU 69 Ca 0.16 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1rsv h GLU 69 Cb 0.12 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1rsv h GLU 69 CO -0.04 0.93 0.39 0.87 -1.00 0.00 0.00 179.01 180.16 1rsv h LYS 70 N 0.30 0.97 -0.17 2.33 1.57 -0.11 -1.65 116.57 119.80 1rsv h LYS 70 Ca -0.02 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1rsv h LYS 70 Cb 1.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1rsv h LYS 70 CO 0.11 0.72 0.11 1.25 -0.57 0.00 0.00 179.45 181.07 1rsv h HIS 71 N 0.96 0.22 -0.37 -1.35 2.76 -1.29 -1.27 115.15 114.80 1rsv h HIS 71 Ca 0.25 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1rsv h HIS 71 Cb 0.02 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1rsv h HIS 71 CO -0.01 0.14 0.20 0.82 -1.30 0.00 0.00 177.93 177.78 1rsv h ILE 72 N 0.22 1.00 -0.27 6.26 2.04 -1.05 0.62 117.51 126.34 1rsv h ILE 72 Ca 0.06 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1rsv h ILE 72 Cb -0.02 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1rsv h ILE 72 CO -0.01 0.07 0.04 0.15 0.00 0.00 0.00 178.15 178.40 1rsv h PHE 73 N 0.40 0.48 -0.01 1.37 3.57 -1.13 -2.49 116.94 119.13 1rsv h PHE 73 Ca 0.15 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 1rsv h PHE 73 Cb 0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1rsv h PHE 73 CO -0.09 0.56 -0.75 0.97 -2.23 0.00 0.00 178.31 176.77 1rsv h ILE 74 N 0.26 1.50 -0.35 1.41 6.09 -1.10 -1.12 117.51 124.19 1rsv h ILE 74 Ca 0.08 -2.45 -0.09 0.00 -1.37 0.00 0.00 64.86 61.03 1rsv h ILE 74 Cb 0.34 2.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.94 1rsv h ILE 74 CO 0.01 0.71 -0.13 0.28 -3.07 0.00 0.00 178.15 175.95 1rsv h SER 75 N 0.05 0.72 -0.32 2.19 0.02 -0.86 0.16 113.55 115.51 1rsv h SER 75 Ca -0.02 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1rsv h SER 75 Cb 1.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1rsv h SER 75 CO 0.10 0.94 0.19 -1.13 -1.14 0.00 0.00 176.83 175.79 1rsv h ASN 76 N 0.49 0.39 -0.57 3.07 -0.00 -1.40 -0.36 115.58 117.20 1rsv h ASN 76 Ca 0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1rsv h ASN 76 Cb 0.65 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 38.84 1rsv h ASN 76 CO 0.04 0.33 0.36 0.25 -0.00 0.00 0.00 177.43 178.42 1rsv h LEU 77 N 0.41 0.67 -1.21 0.34 5.85 -1.02 -0.73 115.31 119.62 1rsv h LEU 77 Ca 0.12 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1rsv h LEU 77 Cb 0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1rsv h LEU 77 CO -0.02 0.51 0.55 0.11 -0.34 0.00 0.00 178.44 179.25 1rsv h LYS 78 N 0.77 0.93 -0.09 1.25 1.57 -0.16 -0.28 116.57 120.57 1rsv h LYS 78 Ca 0.21 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1rsv h LYS 78 Cb -0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 1rsv h LYS 78 CO -0.04 0.61 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.52 1rsv h TYR 79 N 0.96 0.18 -0.27 -1.35 3.20 -0.24 -1.69 116.97 117.76 1rsv h TYR 79 Ca 0.36 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1rsv h TYR 79 Cb 0.20 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 1rsv h TYR 79 CO -0.00 0.46 -0.14 1.96 -1.64 0.00 0.00 178.16 178.80 1rsv h GLN 80 N -0.16 -0.11 -0.38 1.82 4.20 -0.57 -1.16 115.11 118.75 1rsv h GLN 80 Ca 0.02 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1rsv h GLN 80 Cb 0.40 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 1rsv h GLN 80 CO 0.01 -0.07 -0.12 1.15 -0.67 0.00 0.00 178.83 179.12 1rsv h THR 81 N -0.11 0.56 0.04 -0.54 2.02 -0.99 -0.38 112.91 113.51 1rsv h THR 81 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1rsv h THR 81 Cb 0.33 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1rsv h THR 81 CO -0.34 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.64 1rsv h LEU 82 N -0.04 -0.46 -0.73 2.58 5.85 -0.77 -1.44 115.31 120.31 1rsv h LEU 82 Ca 0.19 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1rsv h LEU 82 Cb 0.33 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1rsv h LEU 82 CO -0.42 -0.23 0.34 -0.07 -0.34 0.00 0.00 178.44 177.73 1rsv h LEU 83 N -0.29 0.41 -0.87 2.25 3.38 -0.59 -1.09 115.31 118.51 1rsv h LEU 83 Ca 0.04 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1rsv h LEU 83 Cb 0.33 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rsv h LEU 83 CO -0.13 0.22 -0.32 0.44 0.09 0.00 0.00 178.44 178.74 1rsv h ASP 84 N 0.56 0.00 -0.59 -0.43 3.32 -0.77 0.77 116.42 119.28 1rsv h ASP 84 Ca 0.37 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 1rsv h ASP 84 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1rsv h ASP 84 CO -0.31 0.32 -0.01 0.28 -1.72 0.00 0.00 179.24 177.80 1rsv h SER 85 N 0.00 1.03 -0.11 6.45 0.02 -0.13 0.41 113.55 121.21 1rsv h SER 85 Ca -0.00 -0.31 -0.20 0.00 -0.84 0.00 0.00 61.79 60.43 1rsv h SER 85 Cb 0.90 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1rsv h SER 85 CO 0.04 1.09 -0.72 0.40 -1.14 0.00 0.00 176.83 176.50 1rsv h ILE 86 N 0.94 1.31 0.00 3.27 2.04 -1.11 -3.23 117.51 120.72 1rsv h ILE 86 Ca 0.17 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.04 1rsv h ILE 86 Cb 0.56 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1rsv h ILE 86 CO 0.03 0.61 -0.10 1.56 0.00 0.00 0.00 178.15 180.25 1rsv h GLN 87 N 0.37 0.00 -0.38 2.37 1.08 -0.40 -0.52 115.11 117.63 1rsv h GLN 87 Ca -0.06 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 1rsv h GLN 87 Cb 1.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.78 1rsv h GLN 87 CO 0.15 0.10 -0.33 0.78 -0.95 0.00 0.00 178.83 178.58 1rsv h GLY 88 N 2.26 0.92 0.07 3.46 0.00 -0.22 -3.38 103.07 106.18 1rsv h GLY 88 Ca -0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 47.33 46.04 1rsv h GLY 88 CO 0.01 0.80 -2.37 -0.96 0.00 0.00 0.00 176.54 174.02 1rsv n ARG 89 N -4.07 0.64 -0.28 4.80 1.85 -1.14 -4.71 116.66 113.74 1rsv n ARG 89 Ca -0.01 0.22 0.02 0.00 -1.00 0.00 0.00 57.85 57.08 1rsv n ARG 89 Cb 0.50 -1.55 0.16 0.00 -1.05 0.00 0.00 32.46 30.53 1rsv n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1rsv h SER 90 N -0.34 0.63 -0.31 2.89 0.02 -1.27 -1.08 113.55 114.10 1rsv h SER 90 Ca -0.59 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.37 1rsv h SER 90 Cb 1.80 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 1rsv h SER 90 CO -0.18 0.36 0.08 -0.65 -1.14 0.00 0.00 176.83 175.30 1rsv h PRO 91 N 0.75 0.58 -0.08 3.45 0.11 -1.81 1.13 132.00 136.13 1rsv h PRO 91 Ca 0.39 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1rsv h PRO 91 Cb 0.36 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1rsv h PRO 91 CO -0.25 0.55 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.02 1rsv h ASN 92 N 0.56 0.28 0.54 -2.05 2.35 -1.72 -0.69 115.58 114.86 1rsv h ASN 92 Ca 0.13 -0.56 -0.18 0.00 -0.55 0.00 0.00 56.30 55.14 1rsv h ASN 92 Cb 0.24 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1rsv h ASN 92 CO -0.00 0.79 -0.80 0.58 -1.65 0.00 0.00 177.43 176.34 1rsv h VAL 93 N -0.22 1.47 0.14 2.81 2.07 -0.95 -3.20 116.25 118.38 1rsv h VAL 93 Ca 0.00 -2.46 -0.26 0.00 0.82 0.00 0.00 66.70 64.81 1rsv h VAL 93 Cb 0.74 2.35 0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1rsv h VAL 93 CO 0.04 0.72 -1.23 0.00 0.02 0.00 0.00 177.57 177.11 1rsv h ALA 94 N 1.04 0.05 0.08 1.67 0.00 0.13 -3.43 119.26 118.80 1rsv h ALA 94 Ca -0.03 -0.93 -0.32 0.00 0.00 0.00 0.00 54.91 53.62 1rsv h ALA 94 Cb 1.40 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1rsv h ALA 94 CO 0.12 0.67 -1.77 1.28 0.00 0.00 0.00 179.25 179.54 1rsv n LEU 95 N -3.95 2.38 -0.33 0.00 4.77 -0.27 -4.51 117.00 115.09 1rsv n LEU 95 Ca -0.20 0.28 0.25 0.00 -0.03 0.00 0.00 56.01 56.31 1rsv n LEU 95 Cb 0.90 -1.07 0.49 0.00 -2.33 0.00 0.00 43.42 41.42 1rsv n LEU 95 CO 0.46 0.66 1.05 -0.07 -1.33 0.00 0.00 177.39 178.17 1rsv h LEU 96 N -0.30 0.31 0.00 2.23 3.38 -1.56 0.28 115.31 119.66 1rsv h LEU 96 Ca -0.41 0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rsv h LEU 96 Cb 1.79 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1rsv h LEU 96 CO -0.02 -0.27 0.00 -2.65 0.09 0.00 0.00 178.44 175.59 1rsv n PRO 97 N -5.18 0.39 0.00 1.13 -0.02 -1.26 -3.18 135.00 126.87 1rsv n PRO 97 Ca 0.32 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1rsv n PRO 97 Cb 1.06 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1rsv n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rsv n LEU 98 N -1.21 0.73 -4.75 2.45 4.77 0.95 -4.99 117.00 114.96 1rsv n LEU 98 Ca 0.11 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 1rsv n LEU 98 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1rsv n LEU 98 CO 0.14 0.18 0.76 -0.63 -1.33 0.00 0.00 177.39 176.52 1rsv s ILE 99 N -0.09 3.75 -0.13 -0.08 1.01 -1.02 -0.83 121.20 123.81 1rsv s ILE 99 Ca 0.00 1.66 0.01 0.00 0.00 0.00 0.00 60.65 62.32 1rsv s ILE 99 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1rsv s ILE 99 CO 0.00 0.35 0.53 -1.54 0.00 0.00 0.00 174.94 174.29 1rsv n SER 100 N 1.73 1.09 -4.12 3.58 3.41 0.88 -4.03 113.62 116.15 1rsv n SER 100 Ca 0.00 -1.05 -0.24 0.00 -0.26 0.00 0.00 58.87 57.33 1rsv n SER 100 Cb 0.46 -0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 1rsv n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rsv s ILE 101 N -0.09 1.24 0.30 -1.33 -4.36 -1.25 -4.56 121.20 111.14 1rsv s ILE 101 Ca 0.01 -0.65 -0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1rsv s ILE 101 Cb 0.01 -1.05 0.22 0.00 1.25 0.00 0.00 42.46 42.89 1rsv s ILE 101 CO 0.01 0.36 1.92 1.55 0.24 0.00 0.00 174.94 179.02 1rsv h PRO 102 N 5.92 0.97 -0.42 0.37 0.13 -1.89 -2.07 132.00 135.00 1rsv h PRO 102 Ca -0.35 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1rsv h PRO 102 Cb 1.16 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1rsv h PRO 102 CO 0.48 0.72 0.10 1.05 -0.23 0.00 0.00 178.00 180.12 1rsv h GLU 103 N 0.98 0.62 -0.01 0.86 9.09 -1.91 0.11 114.58 124.32 1rsv h GLU 103 Ca 0.25 -0.11 -0.24 0.00 0.05 0.00 0.00 59.36 59.30 1rsv h GLU 103 Cb 0.03 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 27.04 1rsv h GLU 103 CO -0.04 0.57 -0.97 1.25 0.05 0.00 0.00 179.01 179.87 1rsv h LEU 104 N 0.61 0.74 0.06 3.06 5.85 -1.87 0.11 115.31 123.86 1rsv h LEU 104 Ca 0.14 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1rsv h LEU 104 Cb 0.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1rsv h LEU 104 CO -0.00 1.38 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.31 1rsv h GLU 105 N 0.33 -0.17 -0.17 1.25 4.81 -0.84 -0.99 114.58 118.80 1rsv h GLU 105 Ca -0.10 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1rsv h GLU 105 Cb 1.62 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1rsv h GLU 105 CO 0.18 -0.11 -0.37 1.15 -0.73 0.00 0.00 179.01 179.13 1rsv h THR 106 N -0.18 1.29 -0.36 0.32 2.02 -0.76 -1.92 112.91 113.32 1rsv h THR 106 Ca 0.01 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1rsv h THR 106 Cb 0.19 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1rsv h THR 106 CO -0.05 0.45 0.24 -0.25 0.37 0.00 0.00 175.52 176.28 1rsv h TRP 107 N 0.32 0.45 -0.52 3.16 2.91 -0.31 -0.79 115.95 121.17 1rsv h TRP 107 Ca 0.03 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.10 1rsv h TRP 107 Cb 0.79 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.25 1rsv h TRP 107 CO 0.02 0.28 0.29 0.28 -1.03 0.00 0.00 178.44 178.28 1rsv h VAL 108 N 0.49 1.00 -0.10 2.65 2.07 -1.00 0.45 116.25 121.81 1rsv h VAL 108 Ca 0.13 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1rsv h VAL 108 Cb -0.05 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1rsv h VAL 108 CO -0.03 0.10 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 1rsv h GLU 109 N 0.56 0.18 -0.09 1.57 5.08 -0.89 -0.55 114.58 120.44 1rsv h GLU 109 Ca 0.22 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1rsv h GLU 109 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1rsv h GLU 109 CO -0.13 0.43 -0.40 1.15 -1.00 0.00 0.00 179.01 179.06 1rsv h THR 110 N 0.16 1.39 0.16 1.13 2.02 -0.14 -0.77 112.91 116.87 1rsv h THR 110 Ca 0.03 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1rsv h THR 110 Cb 0.55 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1rsv h THR 110 CO 0.04 0.52 -0.16 -0.25 0.37 0.00 0.00 175.52 176.04 1rsv h TRP 111 N -0.00 -0.41 -0.70 3.16 7.01 -0.01 0.63 115.95 125.62 1rsv h TRP 111 Ca -0.02 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.05 1rsv h TRP 111 Cb 1.04 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 28.20 1rsv h TRP 111 CO 0.12 -0.24 0.37 0.00 -2.79 0.00 0.00 178.44 175.90 1rsv h ALA 112 N 0.45 0.95 -0.25 2.65 0.00 -1.11 -1.12 119.26 120.83 1rsv h ALA 112 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rsv h ALA 112 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1rsv h ALA 112 CO -0.04 0.02 0.08 0.35 0.00 0.00 0.00 179.25 179.66 1rsv h PHE 113 N 0.66 0.14 -0.46 0.00 3.57 -0.52 -1.38 116.94 118.97 1rsv h PHE 113 Ca 0.33 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1rsv h PHE 113 Cb 0.27 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1rsv h PHE 113 CO -0.09 0.07 0.31 0.66 -2.23 0.00 0.00 178.31 177.03 1rsv h SER 114 N 0.19 0.21 0.37 0.41 4.64 0.28 0.32 113.55 119.98 1rsv h SER 114 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1rsv h SER 114 Cb 0.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1rsv h SER 114 CO -0.12 0.13 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.21 1rsv h GLU 115 N 0.24 0.09 -0.06 4.77 4.39 -0.26 -1.93 114.58 121.82 1rsv h GLU 115 Ca 0.21 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1rsv h GLU 115 Cb 0.52 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1rsv h GLU 115 CO -0.04 0.52 -0.42 1.79 -1.16 0.00 0.00 179.01 179.69 1rsv h THR 116 N 0.08 1.31 -0.62 1.13 1.35 0.22 -1.30 112.91 115.08 1rsv h THR 116 Ca 0.00 -1.52 -0.06 0.00 -0.55 0.00 0.00 66.41 64.29 1rsv h THR 116 Cb 0.81 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.94 1rsv h THR 116 CO 0.06 0.44 0.14 0.40 -0.25 0.00 0.00 175.52 176.32 1rsv h ILE 117 N 0.11 1.26 -0.38 6.82 1.08 -1.04 -0.23 117.51 125.12 1rsv h ILE 117 Ca 0.01 -0.94 0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1rsv h ILE 117 Cb 0.80 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1rsv h ILE 117 CO 0.06 0.35 0.16 0.45 -0.69 0.00 0.00 178.15 178.48 1rsv h HIS 118 N 0.92 0.28 -0.46 1.37 3.86 -0.58 0.73 115.15 121.27 1rsv h HIS 118 Ca 0.19 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.48 1rsv h HIS 118 Cb 0.37 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 1rsv h HIS 118 CO 0.03 0.13 0.19 0.77 0.86 0.00 0.00 177.93 179.90 1rsv h SER 119 N 0.33 0.23 -0.32 2.45 0.02 -0.88 -1.46 113.55 113.91 1rsv h SER 119 Ca 0.17 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1rsv h SER 119 Cb 0.12 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1rsv h SER 119 CO -0.15 0.16 0.00 -0.09 -1.14 0.00 0.00 176.83 175.61 1rsv h ARG 120 N 0.38 0.10 -0.58 3.45 2.43 -0.23 -1.90 114.38 118.02 1rsv h ARG 120 Ca 0.21 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1rsv h ARG 120 Cb 0.18 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1rsv h ARG 120 CO -0.19 0.06 0.38 0.66 -1.51 0.00 0.00 179.97 179.37 1rsv h SER 121 N 0.10 0.47 -0.26 -3.80 4.64 0.12 -1.43 113.55 113.39 1rsv h SER 121 Ca 0.16 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1rsv h SER 121 Cb 0.21 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1rsv h SER 121 CO -0.26 0.31 -0.20 -0.26 -0.87 0.00 0.00 176.83 175.55 1rsv h PHE 122 N 0.54 0.80 -0.55 4.77 0.04 -0.55 -0.09 116.94 121.90 1rsv h PHE 122 Ca 0.25 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1rsv h PHE 122 Cb 0.30 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1rsv h PHE 122 CO -0.00 0.86 0.05 1.15 -0.60 0.00 0.00 178.31 179.77 1rsv h THR 123 N 0.63 1.26 -0.56 -1.55 2.02 -0.99 0.11 112.91 113.83 1rsv h THR 123 Ca 0.09 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.30 1rsv h THR 123 Cb 0.69 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1rsv h THR 123 CO 0.05 0.37 0.28 -0.74 0.37 0.00 0.00 175.52 175.86 1rsv h HIS 124 N 0.82 0.52 0.61 3.16 -0.00 -0.55 0.12 115.15 119.84 1rsv h HIS 124 Ca 0.16 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1rsv h HIS 124 Cb 0.47 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1rsv h HIS 124 CO 0.03 0.24 -0.29 0.82 -0.00 0.00 0.00 177.93 178.73 1rsv h ILE 125 N 0.54 0.19 -0.56 6.26 2.04 -0.73 -2.85 117.51 122.40 1rsv h ILE 125 Ca 0.25 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1rsv h ILE 125 Cb 0.18 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 1rsv h ILE 125 CO -0.18 0.03 0.02 0.40 0.00 0.00 0.00 178.15 178.41 1rsv h ILE 126 N -1.11 0.57 -1.00 -0.67 2.04 -0.56 0.54 117.51 117.32 1rsv h ILE 126 Ca -0.08 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 65.94 1rsv h ILE 126 Cb 0.68 0.42 -0.11 0.00 -0.74 0.00 0.00 36.82 37.07 1rsv h ILE 126 CO 0.14 0.02 0.61 0.03 0.00 0.00 0.00 178.15 178.95 1rsv h ARG 127 N 0.13 0.69 -0.42 2.37 2.47 -0.80 -1.08 114.38 117.75 1rsv h ARG 127 Ca 0.29 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1rsv h ARG 127 Cb 0.44 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1rsv h ARG 127 CO -0.46 0.46 0.00 0.09 0.56 0.00 0.00 179.97 180.62 1rsv n ASN 128 N -4.80 2.21 0.00 7.04 4.13 0.16 -4.32 115.26 119.68 1rsv n ASN 128 Ca 0.24 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.48 1rsv n ASN 128 Cb 0.62 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1rsv n ASN 128 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1rsv n ILE 129 N 0.66 0.00 -4.46 2.41 -5.35 -0.45 -4.02 119.36 108.15 1rsv n ILE 129 Ca 0.13 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.37 1rsv n ILE 129 Cb 0.36 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.35 1rsv n ILE 129 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1rsv s VAL 130 N -1.01 2.51 -0.02 7.28 -7.23 -0.94 -4.85 120.40 116.14 1rsv s VAL 130 Ca 0.00 -2.22 -0.21 0.00 -1.81 0.00 0.00 61.98 57.74 1rsv s VAL 130 Cb 0.00 -2.56 -0.25 0.00 0.56 0.00 0.00 36.38 34.13 1rsv s VAL 130 CO 0.00 -0.29 1.04 0.78 -0.31 0.00 0.00 175.10 176.32 1rsv h ASN 131 N 2.07 0.48 -3.66 4.85 -0.26 -1.90 -3.42 115.58 113.73 1rsv h ASN 131 Ca -0.42 -0.81 -0.64 0.00 -0.56 0.00 0.00 56.30 53.88 1rsv h ASN 131 Cb 1.25 -0.15 -0.40 0.00 -1.06 0.00 0.00 38.32 37.97 1rsv h ASN 131 CO 0.65 1.23 -0.72 -0.62 -1.06 0.00 0.00 177.43 176.91 1rsv s ASP 132 N -6.74 4.53 0.42 5.81 2.15 -1.26 -4.98 116.67 116.60 1rsv s ASP 132 Ca -0.14 -2.18 0.20 0.00 0.43 0.00 0.00 52.55 50.86 1rsv s ASP 132 Cb 0.03 -1.46 1.14 0.00 -0.30 0.00 0.00 42.92 42.33 1rsv s ASP 132 CO 0.81 -0.37 1.81 -0.65 -0.17 0.00 0.00 175.17 176.61 1rsv h PRO 133 N 7.54 0.35 -0.75 4.34 0.11 -1.88 0.16 132.00 141.87 1rsv h PRO 133 Ca -0.06 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.23 1rsv h PRO 133 Cb 1.00 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1rsv h PRO 133 CO 0.53 0.23 0.53 0.77 -0.21 0.00 0.00 178.00 179.85 1rsv h SER 134 N 0.36 0.09 -0.81 -2.05 0.02 -1.98 0.80 113.55 109.98 1rsv h SER 134 Ca 0.54 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.46 1rsv h SER 134 Cb 1.44 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 1rsv h SER 134 CO -0.22 0.04 0.36 0.58 -1.14 0.00 0.00 176.83 176.45 1rsv h VAL 135 N 0.09 1.26 0.15 2.27 2.07 -1.10 -0.60 116.25 120.39 1rsv h VAL 135 Ca 0.36 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1rsv h VAL 135 Cb 1.30 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1rsv h VAL 135 CO -0.04 0.32 -0.07 0.58 0.02 0.00 0.00 177.57 178.38 1rsv h VAL 136 N 1.16 1.00 -0.81 2.57 2.07 -1.02 -3.16 116.25 118.05 1rsv h VAL 136 Ca 0.27 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1rsv h VAL 136 Cb 0.17 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1rsv h VAL 136 CO -0.03 0.20 0.54 -0.26 0.02 0.00 0.00 177.57 178.04 1rsv h PHE 137 N -0.65 1.00 0.00 1.57 0.04 -1.21 -2.15 116.94 115.54 1rsv h PHE 137 Ca -0.02 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1rsv h PHE 137 Cb 0.48 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1rsv h PHE 137 CO 0.06 0.61 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.70 1rsv h ASP 138 N 1.06 0.00 1.17 2.17 3.32 -1.16 -2.95 116.42 120.03 1rsv h ASP 138 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1rsv h ASP 138 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1rsv h ASP 138 CO -0.08 0.23 -0.13 -0.67 -1.72 0.00 0.00 179.24 176.88 1rsv n ASP 139 N -3.49 0.52 -0.07 6.45 2.03 -0.82 -3.83 116.55 117.34 1rsv n ASP 139 Ca -0.00 0.43 -0.14 0.00 0.52 0.00 0.00 54.79 55.60 1rsv n ASP 139 Cb 0.40 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 1rsv n ASP 139 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1rsv h ILE 140 N 0.00 1.32 -0.47 5.18 2.04 -1.41 -1.26 117.51 122.91 1rsv h ILE 140 Ca 0.00 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 1rsv h ILE 140 Cb 0.65 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1rsv h ILE 140 CO 0.00 0.46 0.20 0.58 0.00 0.00 0.00 178.15 179.39 1rsv h VAL 141 N 0.29 1.20 -0.01 1.67 2.07 -1.72 -3.31 116.25 116.45 1rsv h VAL 141 Ca 0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1rsv h VAL 141 Cb 0.86 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1rsv h VAL 141 CO 0.07 0.23 -0.40 0.35 0.02 0.00 0.00 177.57 177.84 1rsv n THR 142 N -4.60 0.00 -1.55 2.57 -2.24 -1.25 -4.91 114.28 102.31 1rsv n THR 142 Ca 0.01 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 61.03 1rsv n THR 142 Cb 0.14 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1rsv n THR 142 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1rsv n ASN 143 N -0.40 2.83 -0.34 3.42 2.85 -0.48 -4.80 115.26 118.34 1rsv n ASN 143 Ca 0.06 0.39 0.08 0.00 -0.11 0.00 0.00 54.58 54.99 1rsv n ASN 143 Cb 0.30 -1.41 0.25 0.00 1.24 0.00 0.00 39.78 40.16 1rsv n ASN 143 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1rsv h GLU 144 N 13.24 0.82 -0.36 1.20 4.81 -1.93 -1.81 114.58 130.54 1rsv h GLU 144 Ca -0.36 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1rsv h GLU 144 Cb 1.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1rsv h GLU 144 CO 0.98 0.54 0.13 1.96 -0.73 0.00 0.00 179.01 181.89 1rsv h GLN 145 N 0.84 0.56 0.74 1.92 1.08 -1.97 -2.14 115.11 116.14 1rsv h GLN 145 Ca 0.50 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1rsv h GLN 145 Cb 0.61 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1rsv h GLN 145 CO -0.31 0.56 -0.36 0.82 -0.95 0.00 0.00 178.83 178.59 1rsv h ILE 146 N 0.44 0.00 0.00 2.54 1.08 -1.73 -1.29 117.51 118.55 1rsv h ILE 146 Ca 0.12 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1rsv h ILE 146 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1rsv h ILE 146 CO -0.01 0.00 0.23 1.56 -0.69 0.00 0.00 178.15 179.24 1rsv h GLN 147 N -1.13 0.00 0.09 2.37 4.20 -1.42 0.16 115.11 119.39 1rsv h GLN 147 Ca -0.10 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1rsv h GLN 147 Cb 0.76 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.56 1rsv h GLN 147 CO 0.17 0.00 -0.72 -0.22 -0.67 0.00 0.00 178.83 177.39 1rsv h LYS 148 N 0.00 0.33 -0.26 1.46 3.64 -1.03 -0.39 116.57 120.30 1rsv h LYS 148 Ca 0.00 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 1rsv h LYS 148 Cb 0.46 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1rsv h LYS 148 CO 0.00 1.19 -0.22 -0.09 -2.27 0.00 0.00 179.45 178.06 1rsv h ARG 149 N -0.30 0.61 0.00 1.90 2.43 0.35 -3.23 114.38 116.15 1rsv h ARG 149 Ca -0.12 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1rsv h ARG 149 Cb 1.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1rsv h ARG 149 CO 0.14 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.50 1rsv n ALA 150 N -2.47 2.20 -1.58 2.80 0.00 0.31 -4.79 120.51 116.99 1rsv n ALA 150 Ca -0.04 -0.07 -0.52 0.00 0.00 0.00 0.00 53.44 52.81 1rsv n ALA 150 Cb 0.42 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1rsv n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rsv n GLU 151 N -1.67 1.07 0.00 0.00 0.00 -0.16 -1.94 120.64 117.94 1rsv n GLU 151 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1rsv n GLU 151 Cb 0.33 -1.98 0.00 0.00 0.00 0.00 0.00 31.44 29.79 1rsv n GLU 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rsv n GLY 152 N 2.33 3.41 0.42 8.31 0.00 -1.26 -4.95 105.19 113.44 1rsv n GLY 152 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1rsv n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1rsv h ILE 153 N 0.00 0.03 -0.67 -0.61 2.04 -1.78 -2.01 117.51 114.50 1rsv h ILE 153 Ca 0.00 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1rsv h ILE 153 Cb 0.00 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.08 1rsv h ILE 153 CO 0.00 0.00 0.44 0.77 0.00 0.00 0.00 178.15 179.37 1rsv h SER 154 N -1.26 0.70 -0.85 1.72 4.64 -1.93 -2.42 113.55 114.15 1rsv h SER 154 Ca -0.10 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1rsv h SER 154 Cb 0.79 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 1rsv h SER 154 CO 0.17 0.48 0.45 0.77 -0.87 0.00 0.00 176.83 177.84 1rsv h SER 155 N 0.81 1.08 -0.37 4.97 4.64 -1.93 0.61 113.55 123.37 1rsv h SER 155 Ca 0.27 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1rsv h SER 155 Cb 0.06 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1rsv h SER 155 CO -0.07 0.88 0.14 1.88 -0.87 0.00 0.00 176.83 178.79 1rsv h TYR 156 N 1.20 0.56 0.11 4.77 0.05 -0.86 -2.22 116.97 120.58 1rsv h TYR 156 Ca 0.30 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1rsv h TYR 156 Cb 0.05 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1rsv h TYR 156 CO 0.01 0.51 -0.05 1.88 -1.05 0.00 0.00 178.16 179.45 1rsv h TYR 157 N 0.44 -0.14 -0.70 4.88 0.05 -1.29 -2.74 116.97 117.47 1rsv h TYR 157 Ca 0.12 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.02 1rsv h TYR 157 Cb 0.19 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 1rsv h TYR 157 CO -0.00 0.00 0.47 -0.44 -1.05 0.00 0.00 178.16 177.14 1rsv h ASP 158 N -0.25 0.41 0.22 3.88 3.32 0.34 -0.80 116.42 123.53 1rsv h ASP 158 Ca -0.02 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1rsv h ASP 158 Cb 0.20 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.71 1rsv h ASP 158 CO 0.03 0.23 -1.14 -0.33 -1.72 0.00 0.00 179.24 176.30 1rsv h GLU 159 N 0.44 0.55 -0.37 3.56 5.08 -1.37 -2.36 114.58 120.11 1rsv h GLU 159 Ca 0.34 -0.68 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1rsv h GLU 159 Cb 0.70 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1rsv h GLU 159 CO -0.11 1.29 -0.03 1.25 -1.00 0.00 0.00 179.01 180.41 1rsv h LEU 160 N 0.26 0.67 -0.23 1.33 5.85 -1.14 -0.60 115.31 121.45 1rsv h LEU 160 Ca -0.15 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1rsv h LEU 160 Cb 1.80 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1rsv h LEU 160 CO 0.21 0.84 0.05 0.40 -0.34 0.00 0.00 178.44 179.60 1rsv h ILE 161 N 0.49 0.90 -0.47 4.05 2.04 -1.16 0.23 117.51 123.60 1rsv h ILE 161 Ca 0.10 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1rsv h ILE 161 Cb 0.51 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1rsv h ILE 161 CO 0.02 0.03 0.14 -0.08 0.00 0.00 0.00 178.15 178.26 1rsv h GLU 162 N 0.14 0.73 -0.62 2.37 4.81 -1.34 -0.23 114.58 120.43 1rsv h GLU 162 Ca 0.10 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1rsv h GLU 162 Cb 0.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1rsv h GLU 162 CO -0.13 0.70 0.35 0.52 -0.73 0.00 0.00 179.01 179.72 1rsv h MET 163 N 0.62 0.87 -0.76 1.92 2.86 -0.82 -0.09 114.93 119.54 1rsv h MET 163 Ca 0.15 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1rsv h MET 163 Cb 0.28 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 1rsv h MET 163 CO -0.00 0.65 0.44 1.15 1.06 0.00 0.00 176.91 180.21 1rsv h THR 164 N 0.85 0.99 -0.07 2.22 2.02 -0.16 0.21 112.91 118.97 1rsv h THR 164 Ca 0.22 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rsv h THR 164 Cb 0.03 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1rsv h THR 164 CO -0.04 0.15 0.04 0.28 0.37 0.00 0.00 175.52 176.32 1rsv h SER 165 N 0.80 0.09 -0.99 4.18 0.02 -0.08 0.29 113.55 117.86 1rsv h SER 165 Ca 0.34 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1rsv h SER 165 Cb 0.21 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1rsv h SER 165 CO -0.19 0.14 0.65 1.88 -1.14 0.00 0.00 176.83 178.17 1rsv h TYR 166 N 0.03 1.26 -0.12 3.45 0.05 -0.45 -0.77 116.97 120.41 1rsv h TYR 166 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1rsv h TYR 166 Cb 0.07 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 1rsv h TYR 166 CO -0.05 0.81 0.07 2.35 -1.05 0.00 0.00 178.16 180.29 1rsv h TRP 167 N 1.35 0.16 -0.21 4.88 7.01 -0.43 0.21 115.95 128.94 1rsv h TRP 167 Ca 0.36 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.28 1rsv h TRP 167 Cb -0.13 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 1rsv h TRP 167 CO 0.00 0.15 -0.22 0.45 -2.79 0.00 0.00 178.44 176.03 1rsv h HIS 168 N 0.13 0.41 0.01 2.65 3.86 -0.68 0.15 115.15 121.68 1rsv h HIS 168 Ca 0.04 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1rsv h HIS 168 Cb 0.04 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1rsv h HIS 168 CO -0.05 0.57 -0.00 -0.07 0.86 0.00 0.00 177.93 179.24 1rsv h LEU 169 N 0.34 -0.01 0.00 2.43 4.07 -0.83 -0.93 115.31 120.38 1rsv h LEU 169 Ca 0.06 -0.55 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1rsv h LEU 169 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1rsv h LEU 169 CO 0.04 0.76 -1.66 0.18 -1.08 0.00 0.00 178.44 176.68 1rsv n LEU 170 N -4.69 0.28 -0.51 1.67 4.32 0.73 -4.81 117.00 113.99 1rsv n LEU 170 Ca -0.06 -0.01 0.07 0.00 -0.02 0.00 0.00 56.01 55.99 1rsv n LEU 170 Cb 0.27 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.02 1rsv n LEU 170 CO 0.19 0.01 -0.15 0.61 -1.22 0.00 0.00 177.39 176.82 1rsv n GLY 171 N 1.29 -2.11 3.75 -0.72 0.00 0.54 -4.81 105.19 103.12 1rsv n GLY 171 Ca -0.02 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1rsv n GLY 171 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rsv s GLU 172 N -2.33 4.28 0.00 1.61 2.12 -1.26 -4.74 118.70 118.39 1rsv s GLU 172 Ca 0.00 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1rsv s GLU 172 Cb 0.00 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1rsv s GLU 172 CO 0.00 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1rsv n GLY 173 N 2.08 -1.03 3.26 -1.50 0.00 0.22 -4.97 105.19 103.25 1rsv n GLY 173 Ca 0.06 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1rsv n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rsv s THR 174 N -2.64 3.41 0.46 2.61 2.01 -1.26 0.68 115.64 120.91 1rsv s THR 174 Ca 0.00 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1rsv s THR 174 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1rsv s THR 174 CO 0.00 0.07 0.03 -1.00 -0.69 0.00 0.00 174.62 173.03 1rsv s HIS 175 N 1.39 1.99 0.03 4.92 3.76 -0.00 -4.97 115.29 122.41 1rsv s HIS 175 Ca 0.00 -0.95 0.05 0.00 -0.15 0.00 0.00 55.06 54.00 1rsv s HIS 175 Cb -0.18 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 1rsv s HIS 175 CO -0.01 0.17 -0.14 0.95 -0.85 0.00 0.00 174.74 174.87 1rsv s THR 176 N -2.93 1.09 -0.15 1.30 -4.23 -1.26 0.44 115.64 109.91 1rsv s THR 176 Ca 0.17 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1rsv s THR 176 Cb 0.04 -0.98 0.07 0.00 1.34 0.00 0.00 72.50 72.97 1rsv s THR 176 CO 0.09 0.04 0.21 -0.69 -0.54 0.00 0.00 174.62 173.72 1rsv s VAL 177 N -0.79 -0.32 -1.54 2.29 1.01 0.14 -4.88 120.40 116.32 1rsv s VAL 177 Ca 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1rsv s VAL 177 Cb -0.07 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.88 1rsv s VAL 177 CO 0.01 -0.03 0.65 0.59 0.00 0.00 0.00 175.10 176.32 1rsv n ASN 178 N 5.33 -2.13 0.00 3.32 3.02 -1.26 -0.48 115.26 123.06 1rsv n ASN 178 Ca -0.05 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1rsv n ASN 178 Cb 0.50 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 1rsv n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rsv n GLY 179 N -1.70 2.10 3.75 7.41 0.00 -1.26 -5.02 105.19 110.47 1rsv n GLY 179 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1rsv n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rsv s LYS 180 N -0.36 2.92 -0.01 1.61 0.00 0.37 -5.08 119.74 119.20 1rsv s LYS 180 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 55.97 55.13 1rsv s LYS 180 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 37.83 35.02 1rsv s LYS 180 CO 0.00 0.61 0.75 0.99 0.00 0.00 0.00 175.35 177.70 1rsv s THR 181 N -1.24 4.89 -0.19 3.79 2.01 -1.26 0.29 115.64 123.92 1rsv s THR 181 Ca 0.24 1.58 -0.00 0.00 0.31 0.00 0.00 61.69 63.82 1rsv s THR 181 Cb -0.12 -4.10 0.05 0.00 0.01 0.00 0.00 72.50 68.34 1rsv s THR 181 CO 0.16 0.30 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.66 1rsv s VAL 182 N 0.41 1.19 -0.10 3.82 1.01 0.17 -4.93 120.40 121.96 1rsv s VAL 182 Ca 0.39 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1rsv s VAL 182 Cb -0.19 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1rsv s VAL 182 CO 0.21 0.01 0.34 -0.89 0.00 0.00 0.00 175.10 174.77 1rsv s THR 183 N 1.58 5.23 -0.16 3.92 2.01 -1.26 -0.82 115.64 126.13 1rsv s THR 183 Ca -0.02 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1rsv s THR 183 Cb -0.17 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1rsv s THR 183 CO -0.07 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 1rsv s VAL 184 N -0.12 1.80 -0.06 3.82 1.01 0.21 -4.98 120.40 122.08 1rsv s VAL 184 Ca 0.20 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1rsv s VAL 184 Cb -0.14 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1rsv s VAL 184 CO 0.08 0.50 -0.07 -0.55 0.00 0.00 0.00 175.10 175.05 1rsv s SER 185 N 1.33 1.42 0.24 3.32 0.15 -1.26 -0.61 113.70 118.29 1rsv s SER 185 Ca 0.03 -0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.40 1rsv s SER 185 Cb -0.13 -0.63 0.25 0.00 -1.71 0.00 0.00 66.02 63.79 1rsv s SER 185 CO -0.10 -0.04 1.90 0.25 1.20 0.00 0.00 173.24 176.45 1rsv h LEU 186 N 7.26 1.01 -0.47 3.45 6.46 -1.98 -0.94 115.31 130.11 1rsv h LEU 186 Ca -0.33 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1rsv h LEU 186 Cb 1.16 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1rsv h LEU 186 CO 0.45 0.72 0.30 -0.09 -0.62 0.00 0.00 178.44 179.20 1rsv h ARG 187 N 1.19 0.58 -0.56 1.25 2.43 -1.99 0.28 114.38 117.57 1rsv h ARG 187 Ca 0.34 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1rsv h ARG 187 Cb -0.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1rsv h ARG 187 CO -0.09 0.39 0.00 1.49 -1.51 0.00 0.00 179.97 180.25 1rsv h GLU 188 N 0.60 0.95 -0.32 0.20 4.57 -1.89 -1.61 114.58 117.09 1rsv h GLU 188 Ca 0.18 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1rsv h GLU 188 Cb -0.04 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1rsv h GLU 188 CO -0.06 0.94 -0.18 1.25 -1.18 0.00 0.00 179.01 179.78 1rsv h LEU 189 N 0.88 0.59 -0.96 1.64 5.85 -0.42 -0.77 115.31 122.12 1rsv h LEU 189 Ca 0.16 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1rsv h LEU 189 Cb 0.51 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1rsv h LEU 189 CO 0.03 0.78 -0.33 0.11 -0.34 0.00 0.00 178.44 178.68 1rsv h LYS 190 N 0.53 0.35 0.25 1.25 1.57 -0.00 -1.52 116.57 118.99 1rsv h LYS 190 Ca 0.09 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1rsv h LYS 190 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1rsv h LYS 190 CO 0.04 0.65 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.23 1rsv h LYS 191 N 0.31 -0.32 -0.42 3.15 3.64 -0.89 -0.56 116.57 121.48 1rsv h LYS 191 Ca 0.04 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1rsv h LYS 191 Cb 0.73 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1rsv h LYS 191 CO 0.06 -0.10 0.03 0.87 -2.27 0.00 0.00 179.45 178.03 1rsv h LYS 192 N -0.49 0.14 -0.18 1.90 1.79 -0.85 0.23 116.57 119.11 1rsv h LYS 192 Ca -0.03 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1rsv h LYS 192 Cb 0.37 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1rsv h LYS 192 CO 0.06 0.09 -0.05 1.25 -1.08 0.00 0.00 179.45 179.72 1rsv h LEU 193 N 0.14 -0.19 -0.29 2.94 5.85 -1.17 0.11 115.31 122.72 1rsv h LEU 193 Ca 0.21 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1rsv h LEU 193 Cb 0.29 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1rsv h LEU 193 CO -0.32 -0.07 -0.18 0.22 -0.34 0.00 0.00 178.44 177.76 1rsv h TYR 194 N -0.01 -0.45 -0.11 1.25 5.03 -0.08 0.36 116.97 122.96 1rsv h TYR 194 Ca 0.09 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 1rsv h TYR 194 Cb 0.15 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1rsv h TYR 194 CO -0.21 -0.25 -0.34 -0.07 -1.32 0.00 0.00 178.16 175.97 1rsv h LEU 195 N -0.15 0.22 -0.37 2.82 3.38 -0.85 -1.37 115.31 118.99 1rsv h LEU 195 Ca 0.15 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1rsv h LEU 195 Cb 0.38 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1rsv h LEU 195 CO -0.38 0.55 -0.10 0.00 0.09 0.00 0.00 178.44 178.61 1rsv h LEU 197 N 0.52 0.52 -0.52 0.00 3.38 -0.14 -0.13 115.31 118.93 1rsv h LEU 197 Ca 0.09 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1rsv h LEU 197 Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1rsv h LEU 197 CO 0.04 0.48 0.23 -0.03 0.09 0.00 0.00 178.44 179.24 1rsv h MET 198 N 0.53 0.43 -0.80 1.13 4.05 -1.17 0.36 114.93 119.46 1rsv h MET 198 Ca 0.14 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1rsv h MET 198 Cb 0.08 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1rsv h MET 198 CO -0.02 0.28 0.32 1.03 0.23 0.00 0.00 176.91 178.75 1rsv h SER 199 N 0.44 1.10 0.15 1.39 0.87 -0.66 -0.38 113.55 116.47 1rsv h SER 199 Ca 0.24 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 1rsv h SER 199 Cb 0.22 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1rsv h SER 199 CO -0.21 0.98 -0.40 0.58 -0.53 0.00 0.00 176.83 177.25 1rsv h VAL 200 N 1.16 1.30 -0.53 2.23 2.07 0.16 -0.36 116.25 122.29 1rsv h VAL 200 Ca 0.27 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1rsv h VAL 200 Cb 0.22 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1rsv h VAL 200 CO -0.02 0.46 0.32 -1.13 0.02 0.00 0.00 177.57 177.22 1rsv h ASN 201 N 0.27 0.64 -0.66 0.57 -0.73 0.27 0.90 115.58 116.83 1rsv h ASN 201 Ca 0.03 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.09 1rsv h ASN 201 Cb 0.82 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 1rsv h ASN 201 CO 0.07 0.50 0.21 0.00 -0.37 0.00 0.00 177.43 177.84 1rsv h ALA 202 N 1.16 0.87 -0.59 1.57 0.00 -0.53 0.70 119.26 122.44 1rsv h ALA 202 Ca 0.19 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1rsv h ALA 202 Cb -0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1rsv h ALA 202 CO -0.04 0.54 0.30 1.25 0.00 0.00 0.00 179.25 181.30 1rsv h LEU 203 N 0.96 0.42 0.25 0.00 6.46 -0.36 0.47 115.31 123.51 1rsv h LEU 203 Ca 0.21 0.04 -0.34 0.00 -0.12 0.00 0.00 57.88 57.67 1rsv h LEU 203 Cb 0.29 -0.04 0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1rsv h LEU 203 CO -0.01 0.27 -1.50 -0.33 -0.62 0.00 0.00 178.44 176.26 1rsv h GLU 204 N 0.56 0.53 0.00 1.25 4.39 -0.22 -2.51 114.58 118.58 1rsv h GLU 204 Ca 0.27 -0.91 -0.20 0.00 0.34 0.00 0.00 59.36 58.87 1rsv h GLU 204 Cb 0.20 0.34 0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1rsv h GLU 204 CO -0.19 1.43 -0.77 0.00 -1.16 0.00 0.00 179.01 178.32 1rsv h ALA 205 N 0.16 0.09 0.00 3.43 0.00 0.58 -3.39 119.26 120.14 1rsv h ALA 205 Ca -0.26 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 53.80 1rsv h ALA 205 Cb 2.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 1rsv h ALA 205 CO 0.27 0.47 -1.70 1.51 0.00 0.00 0.00 179.25 179.80 1rsv n ILE 206 N -4.08 0.97 -0.06 0.00 0.00 0.16 -4.37 119.36 111.98 1rsv n ILE 206 Ca -0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 62.75 62.42 1rsv n ILE 206 Cb 0.75 -1.77 -0.01 0.00 0.00 0.00 0.00 39.64 38.61 1rsv n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1rsv h ARG 207 N -0.58 -0.07 -0.57 9.51 3.08 -1.39 -0.93 114.38 123.42 1rsv h ARG 207 Ca -0.35 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 1rsv h ARG 207 Cb 1.24 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1rsv h ARG 207 CO -0.21 -0.05 -0.02 0.74 -1.07 0.00 0.00 179.97 179.37 1rsv h PHE 208 N -0.07 1.10 -0.72 3.04 0.04 -1.64 -2.86 116.94 115.84 1rsv h PHE 208 Ca 0.13 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1rsv h PHE 208 Cb 0.27 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1rsv h PHE 208 CO -0.29 0.98 0.33 1.88 -0.60 0.00 0.00 178.31 180.62 1rsv h TYR 209 N 0.92 1.02 -0.52 -0.55 -1.99 -1.65 0.13 116.97 114.34 1rsv h TYR 209 Ca 0.16 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1rsv h TYR 209 Cb 0.56 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1rsv h TYR 209 CO 0.04 0.75 0.25 0.28 -0.00 0.00 0.00 178.16 179.48 1rsv h VAL 210 N 1.02 1.20 -0.97 -2.88 2.07 -1.04 -1.90 116.25 113.76 1rsv h VAL 210 Ca 0.25 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1rsv h VAL 210 Cb 0.12 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1rsv h VAL 210 CO -0.03 0.22 0.62 0.77 0.02 0.00 0.00 177.57 179.17 1rsv h SER 211 N 0.69 1.12 -0.90 0.57 4.64 -1.17 -1.74 113.55 116.77 1rsv h SER 211 Ca 0.18 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.53 1rsv h SER 211 Cb 0.12 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 1rsv h SER 211 CO -0.02 0.83 0.58 -0.26 -0.87 0.00 0.00 176.83 177.09 1rsv h PHE 212 N 1.32 1.01 -0.10 4.77 0.04 0.02 -0.14 116.94 123.85 1rsv h PHE 212 Ca 0.35 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.14 1rsv h PHE 212 Cb -0.13 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.69 1rsv h PHE 212 CO -0.00 0.52 0.03 0.00 -0.60 0.00 0.00 178.31 178.26 1rsv h ALA 213 N 1.52 0.14 -0.24 2.45 0.00 -0.80 0.41 119.26 122.75 1rsv h ALA 213 Ca 0.39 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1rsv h ALA 213 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1rsv h ALA 213 CO -0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 178.85 1rsv h SER 215 N 0.06 0.67 0.49 0.00 0.02 -0.62 -2.84 113.55 111.34 1rsv h SER 215 Ca 0.11 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1rsv h SER 215 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1rsv h SER 215 CO -0.20 0.70 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.65 1rsv h PHE 216 N 0.61 0.00 -0.68 3.45 0.04 -0.01 -2.82 116.94 117.53 1rsv h PHE 216 Ca 0.15 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.06 1rsv h PHE 216 Cb 0.27 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.32 1rsv h PHE 216 CO 0.01 0.29 0.13 0.00 -0.60 0.00 0.00 178.31 178.13 1rsv h ALA 217 N 1.71 0.81 -0.04 2.45 0.00 -0.91 0.16 119.26 123.46 1rsv h ALA 217 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rsv h ALA 217 Cb 0.61 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rsv h ALA 217 CO 0.04 -0.34 0.02 0.74 0.00 0.00 0.00 179.25 179.70 1rsv h PHE 218 N 0.23 0.06 -0.92 0.00 0.04 -1.60 -2.85 116.94 111.90 1rsv h PHE 218 Ca 0.37 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.34 1rsv h PHE 218 Cb 0.60 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.62 1rsv h PHE 218 CO -0.28 0.18 0.48 0.00 -0.60 0.00 0.00 178.31 178.09 1rsv h ALA 219 N 0.87 1.50 -0.31 2.45 0.00 -0.78 0.33 119.26 123.32 1rsv h ALA 219 Ca 0.01 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1rsv h ALA 219 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rsv h ALA 219 CO -0.00 -0.22 0.22 0.93 0.00 0.00 0.00 179.25 180.19 1rsv h GLU 220 N 0.55 0.03 -0.85 0.00 4.39 -0.54 0.46 114.58 118.62 1rsv h GLU 220 Ca 0.55 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 60.02 1rsv h GLU 220 Cb 0.96 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.47 1rsv h GLU 220 CO -0.45 0.02 0.29 0.54 -1.16 0.00 0.00 179.01 178.25 1rsv n ARG 221 N -4.45 3.01 -1.55 2.33 1.74 0.11 -4.88 116.66 112.97 1rsv n ARG 221 Ca 0.04 -2.51 -0.17 0.00 -0.77 0.00 0.00 57.85 54.44 1rsv n ARG 221 Cb 0.37 -2.04 -0.07 0.00 -1.02 0.00 0.00 32.46 29.70 1rsv n ARG 221 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rsv n GLU 222 N -0.23 -1.41 -4.05 5.56 0.00 0.16 -4.95 120.64 115.72 1rsv n GLU 222 Ca 0.37 1.01 -0.32 0.00 0.00 0.00 0.00 57.16 58.22 1rsv n GLU 222 Cb 1.26 -5.35 -0.06 0.00 0.00 0.00 0.00 31.44 27.29 1rsv n GLU 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1rsv s LEU 223 N -4.37 3.94 -1.38 4.31 1.43 -0.56 -4.59 118.68 117.46 1rsv s LEU 223 Ca 0.00 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1rsv s LEU 223 Cb 0.00 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1rsv s LEU 223 CO 0.00 0.23 0.64 0.23 0.23 0.00 0.00 176.35 177.68 1rsv n MET 224 N 0.85 -4.39 0.22 1.70 2.81 -1.26 -2.96 117.12 114.08 1rsv n MET 224 Ca -0.11 0.54 0.15 0.00 -1.81 0.00 0.00 57.70 56.47 1rsv n MET 224 Cb 0.52 -5.00 0.65 0.00 -0.71 0.00 0.00 33.22 28.69 1rsv n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1rsv h GLU 225 N -1.87 0.00 0.12 0.03 5.08 -1.93 -1.08 114.58 114.93 1rsv h GLU 225 Ca -0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1rsv h GLU 225 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1rsv h GLU 225 CO 0.60 0.00 -0.06 0.78 -1.00 0.00 0.00 179.01 179.33 1rsv h GLY 226 N 1.77 -0.17 0.21 -3.84 0.00 -1.89 -2.83 103.07 96.31 1rsv h GLY 226 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.49 1rsv h GLY 226 CO 0.00 -0.06 0.03 -0.57 0.00 0.00 0.00 176.54 175.94 1rsv h ASN 227 N -0.77 -0.15 -0.67 0.19 -0.73 -1.80 -1.45 115.58 110.20 1rsv h ASN 227 Ca -0.02 0.11 0.12 0.00 1.87 0.00 0.00 56.30 58.39 1rsv h ASN 227 Cb 0.55 0.19 -0.09 0.00 0.27 0.00 0.00 38.32 39.24 1rsv h ASN 227 CO 0.03 -0.05 0.20 0.00 -0.37 0.00 0.00 177.43 177.25 1rsv h ALA 228 N 1.44 0.86 -0.79 1.57 0.00 -1.21 0.57 119.26 121.69 1rsv h ALA 228 Ca 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1rsv h ALA 228 Cb 0.38 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1rsv h ALA 228 CO -0.40 -0.26 0.34 0.87 0.00 0.00 0.00 179.25 179.80 1rsv h LYS 229 N 0.34 1.16 -0.23 0.00 1.57 -1.01 0.17 116.57 118.57 1rsv h LYS 229 Ca 0.36 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1rsv h LYS 229 Cb 0.53 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1rsv h LYS 229 CO -0.40 0.92 0.06 0.82 -0.57 0.00 0.00 179.45 180.28 1rsv h ILE 230 N 1.14 1.20 -0.62 1.86 2.04 -0.68 -1.47 117.51 120.99 1rsv h ILE 230 Ca 0.27 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1rsv h ILE 230 Cb 0.17 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1rsv h ILE 230 CO -0.03 0.21 0.41 0.40 0.00 0.00 0.00 178.15 179.14 1rsv h ILE 231 N 0.20 1.06 -0.45 -0.67 1.08 0.80 0.14 117.51 119.67 1rsv h ILE 231 Ca 0.07 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1rsv h ILE 231 Cb 0.26 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1rsv h ILE 231 CO -0.00 0.13 0.16 -0.09 -0.69 0.00 0.00 178.15 177.66 1rsv h ARG 232 N 0.70 0.68 -0.50 2.37 2.43 -0.28 0.37 114.38 120.15 1rsv h ARG 232 Ca 0.25 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1rsv h ARG 232 Cb 0.12 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1rsv h ARG 232 CO -0.07 0.64 0.01 -0.07 -1.51 0.00 0.00 179.97 178.97 1rsv h LEU 233 N 0.58 0.79 -0.22 3.80 3.38 -0.15 -2.11 115.31 121.38 1rsv h LEU 233 Ca 0.15 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1rsv h LEU 233 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1rsv h LEU 233 CO -0.01 0.85 -0.09 0.40 0.09 0.00 0.00 178.44 179.68 1rsv h ILE 234 N 0.77 1.30 -0.46 1.22 2.04 -0.26 -2.97 117.51 119.14 1rsv h ILE 234 Ca 0.15 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.90 1rsv h ILE 234 Cb 0.45 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1rsv h ILE 234 CO 0.02 0.35 0.31 0.00 0.00 0.00 0.00 178.15 178.82 1rsv h ALA 235 N 0.72 1.78 -0.55 1.87 0.00 -0.02 -0.26 119.26 122.80 1rsv h ALA 235 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1rsv h ALA 235 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rsv h ALA 235 CO 0.03 0.17 0.02 -0.09 0.00 0.00 0.00 179.25 179.38 1rsv h ARG 236 N 0.53 0.92 -0.36 0.00 2.43 -1.27 -2.44 114.38 114.19 1rsv h ARG 236 Ca 0.18 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1rsv h ARG 236 Cb 0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1rsv h ARG 236 CO -0.05 0.91 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.78 1rsv h ASP 237 N 0.86 0.72 -0.60 -3.80 3.32 -1.18 -3.11 116.42 112.62 1rsv h ASP 237 Ca 0.16 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 56.91 1rsv h ASP 237 Cb 0.48 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1rsv h ASP 237 CO 0.02 0.92 0.40 0.00 -1.72 0.00 0.00 179.24 178.86 1rsv h ALA 238 N 0.82 1.87 -0.59 3.45 0.00 -0.79 -0.63 119.26 123.39 1rsv h ALA 238 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rsv h ALA 238 Cb 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1rsv h ALA 238 CO 0.04 0.02 0.35 0.00 0.00 0.00 0.00 179.25 179.66 1rsv h ALA 239 N 1.68 0.76 -0.27 0.00 0.00 -1.37 0.60 119.26 120.66 1rsv h ALA 239 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1rsv h ALA 239 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rsv h ALA 239 CO -0.08 0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.31 1rsv h LEU 240 N 0.70 0.35 -1.08 0.00 3.38 -1.23 -0.59 115.31 116.84 1rsv h LEU 240 Ca 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1rsv h LEU 240 Cb 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1rsv h LEU 240 CO -0.11 0.39 0.34 0.45 0.09 0.00 0.00 178.44 179.60 1rsv h HIS 241 N 0.29 0.98 -0.49 1.13 3.86 -0.18 -1.83 115.15 118.92 1rsv h HIS 241 Ca 0.09 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1rsv h HIS 241 Cb 0.13 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1rsv h HIS 241 CO -0.02 0.71 0.28 1.25 0.86 0.00 0.00 177.93 181.01 1rsv h LEU 242 N 0.99 0.60 -0.51 2.43 6.46 0.49 -2.38 115.31 123.39 1rsv h LEU 242 Ca 0.24 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1rsv h LEU 242 Cb 0.09 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1rsv h LEU 242 CO -0.03 0.50 0.30 0.74 -0.62 0.00 0.00 178.44 179.32 1rsv h THR 243 N 0.65 1.04 -0.02 1.05 2.02 -0.36 -0.75 112.91 116.53 1rsv h THR 243 Ca 0.17 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1rsv h THR 243 Cb 0.02 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1rsv h THR 243 CO -0.03 0.11 0.01 1.23 0.37 0.00 0.00 175.52 177.21 1rsv h GLY 244 N 0.59 0.04 1.08 2.16 0.00 -1.10 -1.59 103.07 104.25 1rsv h GLY 244 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1rsv h GLY 244 CO -0.10 0.02 0.49 -0.91 0.00 0.00 0.00 176.54 176.04 1rsv h THR 245 N -0.06 1.25 -0.53 4.70 1.35 -1.19 -1.35 112.91 117.08 1rsv h THR 245 Ca 0.01 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1rsv h THR 245 Cb 0.09 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.54 1rsv h THR 245 CO -0.00 0.28 0.30 1.56 -0.25 0.00 0.00 175.52 177.41 1rsv h GLN 246 N 1.22 0.73 -0.47 4.72 4.20 -0.93 -1.53 115.11 123.05 1rsv h GLN 246 Ca 0.31 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 1rsv h GLN 246 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1rsv h GLN 246 CO -0.05 0.55 -0.00 0.45 -0.67 0.00 0.00 178.83 179.11 1rsv h HIS 247 N 0.71 0.91 -0.64 2.96 3.86 -1.04 0.13 115.15 122.03 1rsv h HIS 247 Ca 0.19 -0.16 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1rsv h HIS 247 Cb 0.02 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 1rsv h HIS 247 CO -0.02 0.87 0.35 0.52 0.86 0.00 0.00 177.93 180.51 1rsv h MET 248 N 0.69 0.64 -0.05 2.45 2.86 -0.95 0.53 114.93 121.10 1rsv h MET 248 Ca 0.13 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1rsv h MET 248 Cb 0.51 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1rsv h MET 248 CO 0.02 0.42 -0.12 -0.07 1.06 0.00 0.00 176.91 178.23 1rsv h LEU 249 N 0.66 0.20 -0.91 1.22 3.38 -1.14 -1.10 115.31 117.62 1rsv h LEU 249 Ca 0.29 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1rsv h LEU 249 Cb 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1rsv h LEU 249 CO -0.18 0.74 0.58 0.78 0.09 0.00 0.00 178.44 180.45 1rsv h ASN 250 N -0.34 1.07 -0.22 -0.43 2.35 -0.35 0.35 115.58 118.01 1rsv h ASN 250 Ca -0.00 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1rsv h ASN 250 Cb 0.72 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1rsv h ASN 250 CO 0.03 0.80 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.43 1rsv h LEU 251 N 1.24 0.58 0.16 1.61 3.38 0.05 -0.35 115.31 121.98 1rsv h LEU 251 Ca 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1rsv h LEU 251 Cb -0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1rsv h LEU 251 CO -0.07 0.73 -0.08 -0.07 0.09 0.00 0.00 178.44 179.04 1rsv h LEU 252 N 0.55 -0.18 -0.52 1.67 3.38 0.23 -3.28 115.31 117.17 1rsv h LEU 252 Ca 0.10 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1rsv h LEU 252 Cb 0.51 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1rsv h LEU 252 CO 0.03 0.18 0.01 0.08 0.09 0.00 0.00 178.44 178.83 1rsv h ARG 253 N -0.57 0.91 0.00 1.13 0.11 -0.34 -2.91 114.38 112.71 1rsv h ARG 253 Ca -0.02 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1rsv h ARG 253 Cb 0.43 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1rsv h ARG 253 CO 0.04 0.92 0.07 -1.13 0.10 0.00 0.00 179.97 179.97 1rsv n SER 254 N -4.31 0.00 0.00 0.08 3.41 -0.15 -4.45 113.62 108.20 1rsv n SER 254 Ca 0.01 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1rsv n SER 254 Cb 0.31 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1rsv n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rsv n GLY 255 N -1.30 0.85 0.11 5.00 0.00 -1.12 -4.88 105.19 103.85 1rsv n GLY 255 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1rsv n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsv h ALA 256 N 0.00 0.17 0.18 4.61 0.00 -1.86 -3.35 119.26 119.02 1rsv h ALA 256 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 1rsv h ALA 256 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.78 1rsv h ALA 256 CO 0.00 -0.07 -1.22 0.22 0.00 0.00 0.00 179.25 178.18 1rsv h ASP 257 N -0.07 0.76 -1.19 0.00 3.58 -1.89 -3.45 116.42 114.15 1rsv h ASP 257 Ca 0.03 -0.90 -0.00 0.00 0.42 0.00 0.00 57.03 56.58 1rsv h ASP 257 Cb 0.47 -0.24 -0.23 0.00 1.72 0.00 0.00 39.33 41.05 1rsv h ASP 257 CO 0.01 1.59 -0.38 -0.62 -2.88 0.00 0.00 179.24 176.97 1rsv s ASP 258 N -7.36 -1.09 0.24 2.28 2.15 -1.26 -4.72 116.67 106.90 1rsv s ASP 258 Ca -0.10 0.32 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 1rsv s ASP 258 Cb 0.04 1.86 0.34 0.00 -0.30 0.00 0.00 42.92 44.85 1rsv s ASP 258 CO 0.91 -0.30 1.61 -0.65 -0.17 0.00 0.00 175.17 176.57 1rsv h PRO 259 N 8.04 0.01 -0.34 4.34 0.11 -1.89 0.49 132.00 142.77 1rsv h PRO 259 Ca -0.11 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1rsv h PRO 259 Cb 1.17 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1rsv h PRO 259 CO 0.21 0.01 0.16 1.49 -0.21 0.00 0.00 178.00 179.66 1rsv h GLU 260 N 0.02 0.46 -0.48 1.05 4.81 -1.95 0.19 114.58 118.67 1rsv h GLU 260 Ca 0.37 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1rsv h GLU 260 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1rsv h GLU 260 CO -0.76 0.37 -0.22 0.52 -0.73 0.00 0.00 179.01 178.18 1rsv h MET 261 N 0.47 1.00 -0.31 1.92 2.86 -0.39 0.21 114.93 120.69 1rsv h MET 261 Ca 0.12 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1rsv h MET 261 Cb 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1rsv h MET 261 CO -0.02 1.11 0.19 0.00 1.06 0.00 0.00 176.91 179.26 1rsv h ALA 262 N 0.86 0.39 0.52 6.32 0.00 0.57 0.47 119.26 128.40 1rsv h ALA 262 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rsv h ALA 262 Cb 0.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rsv h ALA 262 CO 0.07 -0.16 -0.35 0.93 0.00 0.00 0.00 179.25 179.73 1rsv h GLU 263 N 0.40 -0.80 -0.81 0.00 5.08 -0.43 -1.99 114.58 116.02 1rsv h GLU 263 Ca 0.12 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.70 1rsv h GLU 263 Cb -0.02 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.26 1rsv h GLU 263 CO -0.04 -0.54 -0.21 0.82 -1.00 0.00 0.00 179.01 178.04 1rsv h ILE 264 N -0.83 0.18 -0.63 3.13 2.04 -0.34 0.17 117.51 121.22 1rsv h ILE 264 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1rsv h ILE 264 Cb 0.68 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1rsv h ILE 264 CO 0.05 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.38 1rsv h ALA 265 N 1.79 0.79 -0.24 1.87 0.00 0.23 -1.71 119.26 121.99 1rsv h ALA 265 Ca 0.39 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1rsv h ALA 265 Cb 0.59 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1rsv h ALA 265 CO -0.84 -0.26 0.12 1.49 0.00 0.00 0.00 179.25 179.76 1rsv h GLU 266 N 0.33 0.35 0.00 0.00 4.57 0.06 -3.03 114.58 116.86 1rsv h GLU 266 Ca 0.33 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1rsv h GLU 266 Cb 0.48 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1rsv h GLU 266 CO -0.38 0.35 -0.09 1.05 -1.18 0.00 0.00 179.01 178.76 1rsv h GLU 267 N 0.26 0.00 -0.52 1.92 4.11 -0.51 -2.92 114.58 116.92 1rsv h GLU 267 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1rsv h GLU 267 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1rsv h GLU 267 CO -0.01 0.09 0.00 0.00 0.07 0.00 0.00 179.01 179.16 1rsv h LYS 269 N 3.27 -0.13 -1.01 0.00 3.64 -1.40 0.88 116.57 121.83 1rsv h LYS 269 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1rsv h LYS 269 Cb 1.32 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.09 1rsv h LYS 269 CO 0.19 -0.09 0.64 0.37 -2.27 0.00 0.00 179.45 178.29 1rsv h GLN 270 N -0.13 1.01 -0.16 1.90 5.75 -1.85 0.34 115.11 121.96 1rsv h GLN 270 Ca 0.07 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1rsv h GLN 270 Cb 0.31 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1rsv h GLN 270 CO -0.45 0.67 0.03 1.49 -2.65 0.00 0.00 178.83 177.92 1rsv h GLU 271 N 1.04 0.10 -0.42 1.69 4.81 -0.78 -1.51 114.58 119.51 1rsv h GLU 271 Ca 0.48 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1rsv h GLU 271 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1rsv h GLU 271 CO -0.24 0.07 0.22 0.00 -0.73 0.00 0.00 179.01 178.32 1rsv h TYR 273 N 0.54 -0.08 -0.75 0.00 5.03 -0.21 -0.63 116.97 120.87 1rsv h TYR 273 Ca 0.15 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.45 1rsv h TYR 273 Cb 0.08 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 1rsv h TYR 273 CO -0.02 -0.12 0.31 -0.44 -1.32 0.00 0.00 178.16 176.57 1rsv h ASP 274 N 0.08 1.04 -0.52 -2.11 3.32 -0.94 -0.54 116.42 116.75 1rsv h ASP 274 Ca 0.23 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1rsv h ASP 274 Cb 0.34 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1rsv h ASP 274 CO -0.40 0.92 0.26 0.17 -1.72 0.00 0.00 179.24 178.47 1rsv h LEU 275 N 1.09 0.38 0.37 1.55 8.10 0.13 0.14 115.31 127.06 1rsv h LEU 275 Ca 0.25 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.26 1rsv h LEU 275 Cb 0.20 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1rsv h LEU 275 CO -0.02 0.26 -0.21 -0.26 -4.11 0.00 0.00 178.44 174.10 1rsv h PHE 276 N 0.51 -0.55 -0.78 0.17 0.04 -0.58 -0.29 116.94 115.47 1rsv h PHE 276 Ca 0.23 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.08 1rsv h PHE 276 Cb 0.14 0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.40 1rsv h PHE 276 CO -0.10 -0.33 0.43 0.28 -0.60 0.00 0.00 178.31 177.99 1rsv h VAL 277 N -0.55 0.90 -0.61 -0.55 2.07 -0.82 -0.02 116.25 116.67 1rsv h VAL 277 Ca -0.04 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1rsv h VAL 277 Cb 0.44 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1rsv h VAL 277 CO 0.06 0.13 0.31 -0.61 0.02 0.00 0.00 177.57 177.47 1rsv h GLN 278 N 0.73 0.55 -0.70 1.57 5.75 -0.03 -0.13 115.11 122.85 1rsv h GLN 278 Ca 0.38 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.78 1rsv h GLN 278 Cb 0.35 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1rsv h GLN 278 CO -0.25 0.36 0.20 0.00 -2.65 0.00 0.00 178.83 176.50 1rsv h ALA 279 N 1.34 0.92 -0.87 3.38 0.00 0.31 -1.13 119.26 123.21 1rsv h ALA 279 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rsv h ALA 279 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1rsv h ALA 279 CO -0.20 0.61 0.58 0.00 0.00 0.00 0.00 179.25 180.24 1rsv h ALA 280 N 1.09 1.39 -0.42 0.00 0.00 -0.24 -2.09 119.26 118.98 1rsv h ALA 280 Ca 0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1rsv h ALA 280 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rsv h ALA 280 CO -0.00 0.57 0.02 0.37 0.00 0.00 0.00 179.25 180.20 1rsv h GLN 281 N 1.17 0.74 -0.73 0.00 5.75 -0.65 -1.40 115.11 120.00 1rsv h GLN 281 Ca 0.32 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1rsv h GLN 281 Cb -0.12 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 1rsv h GLN 281 CO -0.07 0.81 0.47 1.96 -2.65 0.00 0.00 178.83 179.34 1rsv h GLN 282 N 0.58 0.97 -0.48 1.69 4.20 -0.83 0.38 115.11 121.62 1rsv h GLN 282 Ca 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1rsv h GLN 282 Cb 0.46 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1rsv h GLN 282 CO 0.02 0.65 0.21 0.93 -0.67 0.00 0.00 178.83 179.98 1rsv h GLU 283 N 0.99 0.69 0.43 1.46 4.39 -1.23 0.17 114.58 121.48 1rsv h GLU 283 Ca 0.27 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1rsv h GLU 283 Cb -0.09 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1rsv h GLU 283 CO -0.06 0.60 -0.40 0.87 -1.16 0.00 0.00 179.01 178.87 1rsv h LYS 284 N 0.62 -0.81 -0.94 2.33 1.79 -0.38 0.27 116.57 119.46 1rsv h LYS 284 Ca 0.16 0.05 0.20 0.00 -2.18 0.00 0.00 60.65 58.89 1rsv h LYS 284 Cb 0.15 0.18 -0.11 0.00 -1.58 0.00 0.00 32.23 30.87 1rsv h LYS 284 CO -0.02 -0.54 0.52 -0.44 -1.08 0.00 0.00 179.45 177.89 1rsv h ASP 285 N -0.84 0.60 -0.02 0.86 3.32 -0.04 0.28 116.42 120.59 1rsv h ASP 285 Ca -0.04 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1rsv h ASP 285 Cb 0.74 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1rsv h ASP 285 CO -0.05 0.16 0.01 -0.25 -1.72 0.00 0.00 179.24 177.39 1rsv h TRP 286 N 0.60 0.02 -0.80 4.55 7.01 0.22 -2.63 115.95 124.92 1rsv h TRP 286 Ca 0.57 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.70 1rsv h TRP 286 Cb 0.96 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.93 1rsv h TRP 286 CO -0.06 0.09 0.38 0.00 -2.79 0.00 0.00 178.44 176.07 1rsv h ALA 287 N 0.93 1.17 -0.02 2.65 0.00 0.15 0.48 119.26 124.62 1rsv h ALA 287 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rsv h ALA 287 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rsv h ALA 287 CO -0.00 -0.12 0.01 -0.44 0.00 0.00 0.00 179.25 178.70 1rsv h ASP 288 N 0.57 0.00 0.25 0.00 3.32 -0.39 -2.81 116.42 117.36 1rsv h ASP 288 Ca 0.43 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.14 1rsv h ASP 288 Cb 0.60 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1rsv h ASP 288 CO -0.36 0.00 -1.97 0.00 -1.72 0.00 0.00 179.24 175.19 1rsv n TYR 289 N -4.52 0.90 0.28 4.55 9.36 -0.02 -3.75 117.16 123.95 1rsv n TYR 289 Ca -0.03 0.25 0.17 0.00 3.32 0.00 0.00 57.90 61.62 1rsv n TYR 289 Cb 0.11 -1.14 0.74 0.00 -0.63 0.00 0.00 39.34 38.42 1rsv n TYR 289 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1rsv h LEU 290 N 0.03 0.00 -3.16 2.98 7.12 -0.95 -3.10 115.31 118.23 1rsv h LEU 290 Ca -0.40 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.56 1rsv h LEU 290 Cb 2.04 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 42.14 1rsv h LEU 290 CO 0.06 0.03 -0.13 0.49 -0.13 0.00 0.00 178.44 178.76 1rsv n PHE 291 N -3.15 0.52 0.00 1.25 3.01 -1.07 -4.60 117.46 113.42 1rsv n PHE 291 Ca -0.00 -1.25 -0.19 0.00 1.01 0.00 0.00 57.45 57.01 1rsv n PHE 291 Cb 0.28 -0.31 -0.14 0.00 -0.01 0.00 0.00 39.48 39.31 1rsv n PHE 291 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1rsv h ARG 292 N 0.90 0.20 -0.04 -1.08 1.12 -1.63 -3.32 114.38 110.54 1rsv h ARG 292 Ca 0.06 -0.34 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 1rsv h ARG 292 Cb 1.29 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.38 1rsv h ARG 292 CO 0.16 1.16 0.00 -0.40 -3.11 0.00 0.00 179.97 177.79 1rsv n ASP 293 N -4.18 0.22 0.00 -3.80 5.75 -1.26 -4.87 116.55 108.41 1rsv n ASP 293 Ca -0.18 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1rsv n ASP 293 Cb 0.77 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1rsv n ASP 293 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rsv n GLY 294 N 0.58 4.47 3.90 6.12 0.00 -1.25 -4.85 105.19 114.17 1rsv n GLY 294 Ca 0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1rsv n GLY 294 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rsv s SER 295 N 0.00 6.08 0.65 1.61 0.01 -1.26 -4.39 113.70 116.41 1rsv s SER 295 Ca 0.00 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 1rsv s SER 295 Cb 0.00 -1.75 0.06 0.00 0.21 0.00 0.00 66.02 64.54 1rsv s SER 295 CO 0.00 0.03 0.93 -0.32 0.41 0.00 0.00 173.24 174.28 1rsv s MET 296 N -3.37 2.20 -1.15 12.44 1.75 -1.07 -4.98 119.30 125.13 1rsv s MET 296 Ca 0.33 -0.60 -0.21 0.00 -1.25 0.00 0.00 55.69 53.96 1rsv s MET 296 Cb -0.10 -2.31 0.02 0.00 2.84 0.00 0.00 34.83 35.28 1rsv s MET 296 CO 0.27 -1.10 1.71 0.42 -0.65 0.00 0.00 175.02 175.67 1rsv s ILE 297 N -3.06 3.89 0.00 10.11 -1.09 -1.26 -3.24 121.20 126.55 1rsv s ILE 297 Ca 0.60 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1rsv s ILE 297 Cb -0.10 -4.92 0.00 0.00 -1.58 0.00 0.00 42.46 35.87 1rsv s ILE 297 CO 0.42 -1.71 0.00 0.61 -1.23 0.00 0.00 174.94 173.04 1rsv n GLY 298 N 6.09 1.30 3.51 6.18 0.00 -1.26 -4.98 105.19 116.03 1rsv n GLY 298 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 1rsv n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rsv s LEU 299 N 0.00 -0.47 0.37 0.99 2.96 -1.20 -5.02 118.68 116.30 1rsv s LEU 299 Ca 0.00 0.88 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 1rsv s LEU 299 Cb 0.00 2.33 0.05 0.00 0.50 0.00 0.00 46.19 49.06 1rsv s LEU 299 CO 0.00 -0.46 0.76 0.54 -1.32 0.00 0.00 176.35 175.87 1rsv s ASN 300 N -0.66 0.03 0.31 3.68 2.20 -1.26 -2.58 114.94 116.65 1rsv s ASN 300 Ca -0.07 -1.09 0.01 0.00 -0.94 0.00 0.00 52.86 50.76 1rsv s ASN 300 Cb -0.02 0.82 0.55 0.00 -2.00 0.00 0.00 41.25 40.60 1rsv s ASN 300 CO 0.06 -1.62 1.93 0.07 -2.94 0.00 0.00 177.10 174.61 1rsv h LYS 301 N 2.01 0.96 0.01 3.55 -0.00 -1.89 -2.02 116.57 119.19 1rsv h LYS 301 Ca -0.30 -0.06 -0.25 0.00 -0.00 0.00 0.00 60.65 60.05 1rsv h LYS 301 Cb 1.25 -0.22 0.02 0.00 -0.00 0.00 0.00 32.23 33.28 1rsv h LYS 301 CO 0.38 0.64 -0.96 -0.44 -0.00 0.00 0.00 179.45 179.07 1rsv h ASP 302 N 0.99 0.84 0.09 7.07 3.32 -1.96 -1.41 116.42 125.35 1rsv h ASP 302 Ca 0.36 -0.75 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1rsv h ASP 302 Cb 0.16 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1rsv h ASP 302 CO -0.13 1.48 -0.04 0.40 -1.72 0.00 0.00 179.24 179.23 1rsv h ILE 303 N 0.28 1.04 -0.84 0.35 2.04 -1.94 -1.46 117.51 116.99 1rsv h ILE 303 Ca -0.12 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.38 1rsv h ILE 303 Cb 1.63 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 1rsv h ILE 303 CO 0.19 0.11 0.49 0.25 0.00 0.00 0.00 178.15 179.19 1rsv h LEU 304 N -0.32 0.71 -0.97 1.44 5.85 -1.45 -0.11 115.31 120.45 1rsv h LEU 304 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1rsv h LEU 304 Cb 0.27 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1rsv h LEU 304 CO 0.02 0.41 0.43 0.00 -0.34 0.00 0.00 178.44 178.96 1rsv h GLN 306 N 1.15 0.82 -0.18 0.00 1.08 0.05 -2.40 115.11 115.63 1rsv h GLN 306 Ca 0.29 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1rsv h GLN 306 Cb 0.06 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1rsv h GLN 306 CO -0.04 0.73 0.04 -0.92 -0.95 0.00 0.00 178.83 177.69 1rsv h TYR 307 N 0.74 0.08 -0.91 2.96 3.20 -0.72 0.44 116.97 122.76 1rsv h TYR 307 Ca 0.18 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1rsv h TYR 307 Cb 0.22 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 1rsv h TYR 307 CO 0.01 0.03 0.56 0.28 -1.64 0.00 0.00 178.16 177.40 1rsv h VAL 308 N 0.12 0.98 -0.26 1.81 2.07 -0.99 0.16 116.25 120.15 1rsv h VAL 308 Ca 0.08 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 1rsv h VAL 308 Cb 0.06 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1rsv h VAL 308 CO -0.09 0.18 -0.57 -0.33 0.02 0.00 0.00 177.57 176.77 1rsv h GLU 309 N 0.96 0.81 0.25 1.57 5.08 -0.75 -1.00 114.58 121.50 1rsv h GLU 309 Ca 0.42 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1rsv h GLU 309 Cb 0.30 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1rsv h GLU 309 CO -0.22 1.15 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.88 1rsv h TYR 310 N 0.62 -0.41 -0.37 4.33 3.20 0.89 -1.92 116.97 123.31 1rsv h TYR 310 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rsv h TYR 310 Cb 1.17 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1rsv h TYR 310 CO 0.07 -0.23 0.23 0.97 -1.64 0.00 0.00 178.16 177.56 1rsv h ILE 311 N -0.38 1.10 -0.92 1.81 2.10 -0.81 -1.45 117.51 118.97 1rsv h ILE 311 Ca -0.03 -0.20 0.04 0.00 1.08 0.00 0.00 64.86 65.75 1rsv h ILE 311 Cb 0.30 0.57 -0.06 0.00 -1.09 0.00 0.00 36.82 36.54 1rsv h ILE 311 CO 0.03 0.10 0.59 0.74 -1.08 0.00 0.00 178.15 178.53 1rsv h THR 312 N 0.50 1.14 -0.32 2.19 2.02 -1.09 -0.85 112.91 116.50 1rsv h THR 312 Ca 0.13 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1rsv h THR 312 Cb -0.04 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.24 1rsv h THR 312 CO -0.03 0.21 0.17 0.78 0.37 0.00 0.00 175.52 177.03 1rsv h ASN 313 N 1.14 0.27 -0.54 4.18 2.35 -0.44 -0.79 115.58 121.76 1rsv h ASN 313 Ca 0.37 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.08 1rsv h ASN 313 Cb 0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1rsv h ASN 313 CO -0.13 0.20 0.17 0.40 -1.65 0.00 0.00 177.43 176.42 1rsv h ILE 314 N 0.36 1.23 -0.38 2.81 2.04 -1.09 -2.35 117.51 120.13 1rsv h ILE 314 Ca 0.13 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1rsv h ILE 314 Cb 0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1rsv h ILE 314 CO -0.08 0.29 0.21 0.03 0.00 0.00 0.00 178.15 178.61 1rsv h ARG 315 N 0.74 0.53 -0.23 2.37 2.47 -0.83 -1.63 114.38 117.80 1rsv h ARG 315 Ca 0.17 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1rsv h ARG 315 Cb 0.28 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1rsv h ARG 315 CO -0.00 0.44 -0.15 0.52 0.56 0.00 0.00 179.97 181.33 1rsv h MET 316 N 0.49 0.39 -0.19 0.04 2.86 -1.10 -2.35 114.93 115.07 1rsv h MET 316 Ca 0.13 -0.11 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 1rsv h MET 316 Cb 0.06 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1rsv h MET 316 CO -0.02 0.54 -0.70 0.37 1.06 0.00 0.00 176.91 178.16 1rsv h GLN 317 N 0.36 0.80 0.00 1.72 4.15 -1.26 0.50 115.11 121.37 1rsv h GLN 317 Ca 0.07 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1rsv h GLN 317 Cb 0.48 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1rsv h GLN 317 CO 0.03 1.21 0.21 0.00 -1.93 0.00 0.00 178.83 178.36 1rsv h ALA 318 N 0.63 1.21 -0.14 3.38 0.00 -0.75 -0.11 119.26 123.46 1rsv h ALA 318 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rsv h ALA 318 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1rsv h ALA 318 CO 0.15 -0.21 -0.05 1.33 0.00 0.00 0.00 179.25 180.47 1rsv n VAL 319 N -2.87 2.15 -1.15 0.00 0.24 -0.94 -4.97 118.33 110.79 1rsv n VAL 319 Ca -0.02 -2.27 -0.05 0.00 -2.04 0.00 0.00 64.34 59.95 1rsv n VAL 319 Cb 0.26 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1rsv n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rsv n GLY 320 N -1.03 0.79 3.93 7.63 0.00 -0.06 -4.97 105.19 111.48 1rsv n GLY 320 Ca 0.20 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1rsv n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rsv s LEU 321 N -1.20 4.02 0.58 0.99 1.43 0.17 -4.98 118.68 119.69 1rsv s LEU 321 Ca 0.00 0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 1rsv s LEU 321 Cb 0.00 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1rsv s LEU 321 CO 0.00 -0.26 1.02 -1.81 0.23 0.00 0.00 176.35 175.53 1rsv s ASP 322 N -3.67 6.21 0.06 2.29 1.01 -1.26 -4.07 116.67 117.24 1rsv s ASP 322 Ca 0.42 1.59 -0.30 0.00 0.71 0.00 0.00 52.55 54.96 1rsv s ASP 322 Cb -0.10 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1rsv s ASP 322 CO 0.34 -0.87 1.01 -0.76 0.21 0.00 0.00 175.17 175.10 1rsv s LEU 323 N -4.61 4.42 0.17 1.23 1.43 -1.26 -4.85 118.68 115.21 1rsv s LEU 323 Ca 0.59 1.79 0.22 0.00 -1.03 0.00 0.00 54.13 55.70 1rsv s LEU 323 Cb -0.12 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1rsv s LEU 323 CO 0.41 -0.22 0.95 -0.81 0.23 0.00 0.00 176.35 176.91 1rsv n PRO 324 N 3.39 0.61 -4.38 1.29 -0.04 -1.26 -4.97 135.00 129.64 1rsv n PRO 324 Ca 0.05 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 1rsv n PRO 324 Cb 0.49 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 1rsv n PRO 324 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rsv s PHE 325 N -3.39 2.54 0.25 0.54 0.08 -1.26 -5.09 117.98 111.65 1rsv s PHE 325 Ca -0.02 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 1rsv s PHE 325 Cb 0.10 -1.65 -0.10 0.00 -0.57 0.00 0.00 43.02 40.80 1rsv s PHE 325 CO 0.81 0.42 1.43 -1.14 -0.10 0.00 0.00 175.22 176.64 1rsv s GLN 326 N -3.74 4.27 0.24 0.44 0.74 -1.26 -4.93 119.66 115.41 1rsv s GLN 326 Ca 0.36 2.30 -0.30 0.00 0.05 0.00 0.00 55.36 57.77 1rsv s GLN 326 Cb 0.03 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.95 1rsv s GLN 326 CO 0.19 -0.41 1.18 0.99 -0.55 0.00 0.00 175.29 176.69 1rsv s THR 327 N -0.07 3.41 0.18 -0.34 2.01 -1.26 -4.86 115.64 114.71 1rsv s THR 327 Ca 0.59 1.30 -0.19 0.00 0.31 0.00 0.00 61.69 63.69 1rsv s THR 327 Cb -0.42 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1rsv s THR 327 CO 0.44 0.26 0.54 0.00 -0.69 0.00 0.00 174.62 175.17 1rsv s ARG 328 N -0.89 1.34 0.62 4.92 1.70 -1.26 -5.16 118.95 120.21 1rsv s ARG 328 Ca 0.49 -0.74 -0.10 0.00 -0.47 0.00 0.00 55.73 54.91 1rsv s ARG 328 Cb -0.33 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1rsv s ARG 328 CO 0.40 -0.57 1.00 -1.54 -1.08 0.00 0.00 175.30 173.51 1rsv s SER 329 N -2.83 5.95 0.05 -2.89 1.04 -1.26 -4.96 113.70 108.80 1rsv s SER 329 Ca 0.06 1.20 -0.35 0.00 0.48 0.00 0.00 55.95 57.33 1rsv s SER 329 Cb -0.01 -2.21 -0.14 0.00 0.10 0.00 0.00 66.02 63.75 1rsv s SER 329 CO -0.06 -0.98 1.58 -3.20 0.98 0.00 0.00 173.24 171.56 1rsv n ASN 330 N -2.73 2.67 -0.11 7.02 2.85 -1.26 -4.84 115.26 118.86 1rsv n ASN 330 Ca 0.05 1.07 0.14 0.00 -0.11 0.00 0.00 54.58 55.73 1rsv n ASN 330 Cb 0.55 -1.32 0.55 0.00 1.24 0.00 0.00 39.78 40.81 1rsv n ASN 330 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1rsv n PRO 331 N 3.93 0.57 -3.09 1.20 -0.04 -1.26 -4.19 135.00 132.11 1rsv n PRO 331 Ca 0.19 -0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 1rsv n PRO 331 Cb 0.24 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1rsv n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1rsv n ILE 332 N -1.03 -0.18 0.31 0.52 -5.35 -1.26 -4.97 119.36 107.41 1rsv n ILE 332 Ca 0.13 -3.90 0.15 0.00 -0.27 0.00 0.00 62.75 58.85 1rsv n ILE 332 Cb 0.30 -0.02 0.74 0.00 -1.74 0.00 0.00 39.64 38.92 1rsv n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1rsv h PRO 333 N 3.10 0.00 0.00 6.28 0.11 -1.98 0.02 132.00 139.53 1rsv h PRO 333 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1rsv h PRO 333 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1rsv h PRO 333 CO 0.42 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.30 1rsv h TRP 334 N 0.00 0.00 0.00 0.65 5.08 -1.96 -2.32 115.95 117.40 1rsv h TRP 334 Ca 0.02 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.94 1rsv h TRP 334 Cb 0.82 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.98 1rsv h TRP 334 CO 0.00 0.02 -0.21 0.97 -1.28 0.00 0.00 178.44 177.94 1rsv h ILE 335 N 0.00 0.99 0.00 0.12 2.10 -1.41 -2.59 117.51 116.72 1rsv h ILE 335 Ca -0.00 -0.78 0.00 0.00 1.08 0.00 0.00 64.86 65.16 1rsv h ILE 335 Cb 0.16 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1rsv h ILE 335 CO 0.00 0.21 0.00 0.78 -1.08 0.00 0.00 178.15 178.06 1rsv h ASN 336 N 0.00 0.00 1.61 2.19 2.35 -1.61 0.96 115.58 121.08 1rsv h ASN 336 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1rsv h ASN 336 Cb 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1rsv h ASN 336 CO 0.03 0.00 -0.07 0.74 -1.65 0.00 0.00 177.43 176.48 1rsv h THR 337 N 0.00 0.13 0.00 2.81 2.02 -1.66 -3.22 112.91 112.99 1rsv h THR 337 Ca 0.00 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1rsv h THR 337 Cb 0.01 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1rsv h THR 337 CO 0.00 0.07 -2.02 0.79 0.37 0.00 0.00 175.52 174.73 1rsv n TRP 338 N -3.13 0.00 -2.56 3.16 7.02 0.29 -4.53 117.44 117.69 1rsv n TRP 338 Ca 0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 1rsv n TRP 338 Cb 0.48 -0.55 0.01 0.00 -2.42 0.00 0.00 31.31 28.83 1rsv n TRP 338 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1rsv n LEU 339 N -2.30 6.84 0.01 -0.99 4.77 -0.92 -4.77 117.00 119.64 1rsv n LEU 339 Ca -0.08 -4.96 0.13 0.00 -0.03 0.00 0.00 56.01 51.07 1rsv n LEU 339 Cb 0.63 -1.36 0.20 0.00 -2.33 0.00 0.00 43.42 40.56 1rsv n LEU 339 CO 0.44 1.65 0.92 1.33 -1.33 0.00 0.00 177.39 180.41 1rsv n VAL 340 N 2.05 0.00 0.80 4.08 0.24 -1.26 -4.91 118.33 119.33 1rsv n VAL 340 Ca 0.39 0.92 0.10 0.00 -2.04 0.00 0.00 64.34 63.71 1rsv n VAL 340 Cb 0.33 -1.73 0.08 0.00 -1.47 0.00 0.00 33.84 31.05 1rsv n VAL 340 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49