#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a50 h ARG 3 N 0.00 0.69 -0.13 5.31 3.08 -1.98 -0.54 114.38 120.81 1a50 h ARG 3 Ca 0.00 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1a50 h ARG 3 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1a50 h ARG 3 CO 0.00 0.70 -0.18 1.88 -1.07 0.00 0.00 179.97 181.30 1a50 h TYR 4 N 0.66 0.43 -0.23 3.04 0.05 -1.92 -0.60 116.97 118.40 1a50 h TYR 4 Ca 0.14 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1a50 h TYR 4 Cb 0.38 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 1a50 h TYR 4 CO 0.02 0.78 -0.13 0.93 -1.05 0.00 0.00 178.16 178.71 1a50 h GLU 5 N -0.04 -0.11 0.37 4.88 5.08 -1.81 0.56 114.58 123.51 1a50 h GLU 5 Ca 0.02 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1a50 h GLU 5 Cb 0.73 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1a50 h GLU 5 CO 0.04 -0.07 -0.20 -0.91 -1.00 0.00 0.00 179.01 176.87 1a50 h ASN 6 N -0.11 -0.49 -0.40 1.42 2.35 -1.07 -0.70 115.58 116.59 1a50 h ASN 6 Ca 0.13 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1a50 h ASN 6 Cb 0.30 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.73 1a50 h ASN 6 CO -0.30 -0.33 -0.11 0.25 -1.65 0.00 0.00 177.43 175.29 1a50 h LEU 7 N -0.53 -0.39 -1.51 1.61 5.85 -0.79 -1.22 115.31 118.33 1a50 h LEU 7 Ca -0.05 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1a50 h LEU 7 Cb 0.42 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1a50 h LEU 7 CO 0.06 -0.14 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.60 1a50 h PHE 8 N -0.01 0.11 0.02 1.25 0.04 -0.71 -0.87 116.94 116.76 1a50 h PHE 8 Ca 0.19 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1a50 h PHE 8 Cb 0.30 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1a50 h PHE 8 CO -0.36 0.28 -0.01 0.00 -0.60 0.00 0.00 178.31 177.62 1a50 h ALA 9 N 1.73 -0.02 0.06 2.45 0.00 -0.22 -2.40 119.26 120.85 1a50 h ALA 9 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1a50 h ALA 9 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1a50 h ALA 9 CO 0.02 -0.31 -0.15 1.96 0.00 0.00 0.00 179.25 180.77 1a50 h GLN 10 N -0.42 -0.27 -0.86 0.00 4.20 -0.90 -2.50 115.11 114.36 1a50 h GLN 10 Ca -0.00 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.85 1a50 h GLN 10 Cb 0.41 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 1a50 h GLN 10 CO 0.00 -0.18 0.56 -0.07 -0.67 0.00 0.00 178.83 178.47 1a50 h LEU 11 N -0.28 0.68 -0.62 1.46 3.38 -1.20 -1.37 115.31 117.36 1a50 h LEU 11 Ca 0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1a50 h LEU 11 Cb 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1a50 h LEU 11 CO -0.10 0.37 0.18 -1.13 0.09 0.00 0.00 178.44 177.85 1a50 h ASN 12 N 0.73 0.91 -0.09 -0.43 -1.24 -1.01 0.23 115.58 114.68 1a50 h ASN 12 Ca 0.42 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 57.12 1a50 h ASN 12 Cb 0.60 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1a50 h ASN 12 CO -0.18 0.88 -0.23 0.44 -1.29 0.00 0.00 177.43 177.05 1a50 h ASP 13 N 0.89 0.51 -0.30 1.15 3.32 -0.89 -1.84 116.42 119.25 1a50 h ASP 13 Ca 0.20 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1a50 h ASP 13 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1a50 h ASP 13 CO -0.00 0.73 0.00 0.54 -1.72 0.00 0.00 179.24 178.79 1a50 n ARG 14 N -4.13 2.14 -4.27 3.56 1.74 -0.79 -4.91 116.66 109.99 1a50 n ARG 14 Ca -0.00 -1.26 -0.36 0.00 -0.77 0.00 0.00 57.85 55.46 1a50 n ARG 14 Cb 0.39 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1a50 n ARG 14 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a50 n ARG 15 N 0.39 -2.36 -4.23 5.56 3.00 -0.69 -4.95 116.66 113.38 1a50 n ARG 15 Ca 0.11 0.29 -0.15 0.00 -0.01 0.00 0.00 57.85 58.10 1a50 n ARG 15 Cb 0.43 -4.75 -0.10 0.00 0.00 0.00 0.00 32.46 28.04 1a50 n ARG 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1a50 s GLU 16 N -7.00 1.00 0.46 5.56 -1.05 -0.01 -4.82 118.70 112.84 1a50 s GLU 16 Ca 0.57 -1.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.02 1a50 s GLU 16 Cb -0.32 -0.63 -0.01 0.00 -0.44 0.00 0.00 34.13 32.73 1a50 s GLU 16 CO 0.95 0.09 0.70 0.20 0.95 0.00 0.00 175.26 178.15 1a50 s GLY 17 N -2.91 1.52 -0.04 -3.83 0.00 0.11 -4.37 107.32 97.80 1a50 s GLY 17 Ca 0.13 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.79 1a50 s GLY 17 CO 0.01 -0.73 0.47 0.00 0.00 0.00 0.00 173.10 172.85 1a50 s ALA 18 N -2.60 3.58 -0.23 3.20 0.00 0.12 -4.79 121.76 121.04 1a50 s ALA 18 Ca 0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1a50 s ALA 18 Cb -0.10 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1a50 s ALA 18 CO 0.40 0.26 -0.01 0.12 0.00 0.00 0.00 175.76 176.53 1a50 s PHE 19 N -0.35 2.99 -0.32 0.00 5.36 -1.26 -1.07 117.98 123.33 1a50 s PHE 19 Ca 0.26 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 55.47 1a50 s PHE 19 Cb -0.17 -2.14 0.08 0.00 -0.34 0.00 0.00 43.02 40.46 1a50 s PHE 19 CO 0.13 -0.48 0.01 0.08 -1.46 0.00 0.00 175.22 173.50 1a50 s VAL 20 N 1.49 2.46 0.46 3.12 1.01 -0.03 -1.60 120.40 127.31 1a50 s VAL 20 Ca 0.06 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 59.89 1a50 s VAL 20 Cb -0.14 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 1a50 s VAL 20 CO -0.01 -0.36 0.95 -2.16 0.00 0.00 0.00 175.10 173.52 1a50 s PRO 21 N 1.04 4.09 -0.06 2.72 0.04 -1.25 -1.62 135.00 139.97 1a50 s PRO 21 Ca 0.02 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.12 1a50 s PRO 21 Cb -0.20 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 1a50 s PRO 21 CO -0.06 -0.12 -0.20 0.12 0.04 0.00 0.00 177.00 176.78 1a50 s PHE 22 N -2.37 2.03 0.09 0.56 2.19 -0.40 -1.88 117.98 118.21 1a50 s PHE 22 Ca 0.60 -0.65 -0.02 0.00 0.33 0.00 0.00 56.93 57.19 1a50 s PHE 22 Cb -0.09 -1.36 -0.03 0.00 -1.31 0.00 0.00 43.02 40.22 1a50 s PHE 22 CO 0.21 -0.23 0.04 0.14 1.83 0.00 0.00 175.22 177.21 1a50 s VAL 23 N 0.08 0.16 -0.14 3.12 -7.23 -1.06 -4.48 120.40 110.86 1a50 s VAL 23 Ca -0.07 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.18 1a50 s VAL 23 Cb -0.14 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1a50 s VAL 23 CO 0.04 -0.74 0.39 -0.89 -0.31 0.00 0.00 175.10 173.59 1a50 s THR 24 N -3.96 5.24 0.14 5.32 2.01 -1.26 -1.72 115.64 121.41 1a50 s THR 24 Ca 0.13 0.76 -0.31 0.00 0.31 0.00 0.00 61.69 62.58 1a50 s THR 24 Cb 0.07 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1a50 s THR 24 CO -0.05 0.35 1.65 -0.76 -0.69 0.00 0.00 174.62 175.11 1a50 s LEU 25 N 0.61 4.37 0.00 4.42 1.43 0.31 -2.42 118.68 127.40 1a50 s LEU 25 Ca 0.21 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1a50 s LEU 25 Cb -0.14 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1a50 s LEU 25 CO 0.07 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1a50 n GLY 26 N 3.92 0.67 3.61 -3.19 0.00 -1.26 -4.56 105.19 104.38 1a50 n GLY 26 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1a50 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a50 s ASP 27 N -2.90 5.94 0.00 1.61 2.15 -1.02 -0.59 116.67 121.87 1a50 s ASP 27 Ca 0.00 0.03 0.28 0.00 0.43 0.00 0.00 52.55 53.30 1a50 s ASP 27 Cb 0.00 -2.08 1.17 0.00 -0.30 0.00 0.00 42.92 41.71 1a50 s ASP 27 CO 0.00 0.02 1.83 -0.81 -0.17 0.00 0.00 175.17 176.04 1a50 n PRO 28 N 4.57 0.61 -3.79 4.34 -0.04 -1.26 -4.23 135.00 135.19 1a50 n PRO 28 Ca -0.15 -0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.06 1a50 n PRO 28 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1a50 n PRO 28 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1a50 s GLY 29 N -2.54 -0.11 0.04 0.55 0.00 0.25 -4.70 107.32 100.81 1a50 s GLY 29 Ca 0.27 -0.05 -0.33 0.00 0.00 0.00 0.00 44.72 44.60 1a50 s GLY 29 CO 0.49 0.50 1.42 -2.22 0.00 0.00 0.00 173.10 173.30 1a50 h ILE 30 N 2.00 0.12 -0.53 0.90 1.08 -1.92 0.36 117.51 119.52 1a50 h ILE 30 Ca -0.25 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.16 1a50 h ILE 30 Cb 1.23 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 1a50 h ILE 30 CO 0.29 0.01 0.21 -0.33 -0.69 0.00 0.00 178.15 177.63 1a50 h GLU 31 N -1.20 0.38 -0.08 2.37 4.39 -1.98 -1.18 114.58 117.30 1a50 h GLU 31 Ca -0.11 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 1a50 h GLU 31 Cb 0.84 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1a50 h GLU 31 CO 0.18 0.25 -0.54 0.37 -1.16 0.00 0.00 179.01 178.11 1a50 h GLN 32 N 0.40 0.22 -0.38 2.33 5.75 -1.93 -2.61 115.11 118.88 1a50 h GLN 32 Ca 0.26 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1a50 h GLN 32 Cb 0.27 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1a50 h GLN 32 CO -0.25 0.71 -0.02 1.03 -2.65 0.00 0.00 178.83 177.66 1a50 h SER 33 N 0.17 0.67 -0.50 -0.69 0.87 -0.34 0.75 113.55 114.48 1a50 h SER 33 Ca 0.00 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1a50 h SER 33 Cb 1.01 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1a50 h SER 33 CO 0.08 0.83 0.19 -0.07 -0.53 0.00 0.00 176.83 177.33 1a50 h LEU 34 N 0.50 0.75 -0.31 2.23 3.38 -1.16 0.02 115.31 120.71 1a50 h LEU 34 Ca 0.11 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1a50 h LEU 34 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1a50 h LEU 34 CO 0.02 0.70 -0.19 0.11 0.09 0.00 0.00 178.44 179.17 1a50 h LYS 35 N 0.80 0.69 -0.50 1.13 1.57 -1.20 -1.82 116.57 117.24 1a50 h LYS 35 Ca 0.19 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1a50 h LYS 35 Cb 0.21 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1a50 h LYS 35 CO -0.01 0.92 0.26 0.82 -0.57 0.00 0.00 179.45 180.87 1a50 h ILE 36 N 0.45 0.99 -0.66 1.86 2.04 -0.23 -1.51 117.51 120.43 1a50 h ILE 36 Ca 0.06 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1a50 h ILE 36 Cb 0.74 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1a50 h ILE 36 CO 0.05 0.09 0.15 0.40 0.00 0.00 0.00 178.15 178.85 1a50 h ILE 37 N 0.52 1.26 -0.14 -0.67 2.04 -0.88 -1.28 117.51 118.36 1a50 h ILE 37 Ca 0.21 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1a50 h ILE 37 Cb 0.09 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1a50 h ILE 37 CO -0.13 0.36 -0.23 0.44 0.00 0.00 0.00 178.15 178.59 1a50 h ASP 38 N 1.00 0.23 0.24 1.72 5.19 -0.97 -2.44 116.42 121.40 1a50 h ASP 38 Ca 0.21 -0.06 -0.19 0.00 -0.62 0.00 0.00 57.03 56.36 1a50 h ASP 38 Cb 0.36 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1a50 h ASP 38 CO 0.00 0.47 -0.76 0.74 -3.12 0.00 0.00 179.24 176.57 1a50 h THR 39 N 0.22 1.38 -0.53 0.35 2.02 -0.75 -1.69 112.91 113.89 1a50 h THR 39 Ca 0.04 -2.18 -0.05 0.00 0.77 0.00 0.00 66.41 64.99 1a50 h THR 39 Cb 0.53 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1a50 h THR 39 CO 0.04 0.66 0.15 -0.07 0.37 0.00 0.00 175.52 176.66 1a50 h LEU 40 N 0.29 0.79 -0.21 2.58 4.07 -0.91 0.41 115.31 122.34 1a50 h LEU 40 Ca -0.04 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 1a50 h LEU 40 Cb 1.35 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 1a50 h LEU 40 CO 0.13 0.80 -0.18 0.40 -1.08 0.00 0.00 178.44 178.52 1a50 h ILE 41 N 0.74 1.32 -0.85 1.22 2.04 -1.44 -1.68 117.51 118.88 1a50 h ILE 41 Ca 0.17 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1a50 h ILE 41 Cb 0.31 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1a50 h ILE 41 CO -0.00 0.40 0.48 -0.78 0.00 0.00 0.00 178.15 178.25 1a50 h ASP 42 N 0.16 1.04 0.51 1.72 3.58 -1.19 -2.05 116.42 120.19 1a50 h ASP 42 Ca 0.04 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1a50 h ASP 42 Cb 0.71 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1a50 h ASP 42 CO 0.05 0.83 0.00 0.00 -2.88 0.00 0.00 179.24 177.23 1a50 n ALA 43 N -2.41 1.90 0.00 -0.78 0.00 0.12 -4.88 120.51 114.46 1a50 n ALA 43 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1a50 n ALA 43 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1a50 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a50 n GLY 44 N 0.34 0.55 3.75 0.00 0.00 -0.77 -3.50 105.19 105.55 1a50 n GLY 44 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1a50 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a50 n ALA 45 N 0.00 2.21 0.09 4.61 0.00 -0.65 -4.85 120.51 121.92 1a50 n ALA 45 Ca 0.00 0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1a50 n ALA 45 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 1a50 n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a50 n ASP 46 N 1.13 0.79 -3.80 0.00 8.00 -0.63 -4.79 116.55 117.25 1a50 n ASP 46 Ca 0.05 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.80 1a50 n ASP 46 Cb 0.37 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.99 1a50 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a50 s ALA 47 N -3.32 -1.43 0.06 2.24 0.00 -1.25 -4.27 121.76 113.79 1a50 s ALA 47 Ca -0.01 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1a50 s ALA 47 Cb 0.10 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1a50 s ALA 47 CO 0.80 -1.04 -0.19 -0.51 0.00 0.00 0.00 175.76 174.81 1a50 s LEU 48 N -2.94 2.21 -0.19 0.00 1.43 -0.67 -3.75 118.68 114.77 1a50 s LEU 48 Ca 0.12 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1a50 s LEU 48 Cb -0.04 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1a50 s LEU 48 CO 0.05 0.10 -0.12 -0.70 0.23 0.00 0.00 176.35 175.91 1a50 s GLU 49 N -1.42 2.20 -0.08 1.70 2.56 -0.79 -1.11 118.70 121.75 1a50 s GLU 49 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 54.97 54.25 1a50 s GLU 49 Cb -0.09 -2.40 -0.01 0.00 2.00 0.00 0.00 34.13 33.63 1a50 s GLU 49 CO 0.02 -0.38 -0.22 -0.51 -0.56 0.00 0.00 175.26 173.62 1a50 s LEU 50 N 1.38 2.25 -0.06 2.70 1.43 0.98 -2.56 118.68 124.81 1a50 s LEU 50 Ca 0.00 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1a50 s LEU 50 Cb -0.15 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1a50 s LEU 50 CO -0.09 0.21 0.18 -0.83 0.23 0.00 0.00 176.35 176.05 1a50 s GLY 51 N 0.05 2.18 -0.24 -3.19 0.00 -0.70 -0.13 107.32 105.29 1a50 s GLY 51 Ca -0.09 -0.68 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 1a50 s GLY 51 CO 0.06 -0.49 0.15 0.14 0.00 0.00 0.00 173.10 172.96 1a50 s VAL 52 N -1.18 5.27 -0.17 1.40 1.01 -1.21 -0.53 120.40 124.99 1a50 s VAL 52 Ca 0.22 0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.98 1a50 s VAL 52 Cb -0.12 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 1a50 s VAL 52 CO 0.12 0.35 1.82 -2.65 0.00 0.00 0.00 175.10 174.73 1a50 n PRO 53 N 4.31 1.73 -4.50 2.72 -0.02 -1.26 -4.88 135.00 133.10 1a50 n PRO 53 Ca -0.15 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 1a50 n PRO 53 Cb 0.52 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1a50 n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a50 s PHE 54 N 3.81 2.08 0.31 6.00 5.36 -1.26 -4.86 117.98 129.41 1a50 s PHE 54 Ca 0.95 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 56.57 1a50 s PHE 54 Cb -0.86 -1.17 0.50 0.00 -0.34 0.00 0.00 43.02 41.15 1a50 s PHE 54 CO 0.58 0.22 1.77 0.66 -1.46 0.00 0.00 175.22 176.99 1a50 h SER 55 N 4.27 0.42 -2.23 6.13 4.64 -1.98 -3.36 113.55 121.44 1a50 h SER 55 Ca -0.47 -0.13 -0.59 0.00 -0.47 0.00 0.00 61.79 60.13 1a50 h SER 55 Cb 1.17 -0.11 -0.41 0.00 -0.31 0.00 0.00 62.40 62.74 1a50 h SER 55 CO 0.41 0.64 -0.80 0.47 -0.87 0.00 0.00 176.83 176.67 1a50 n ASP 56 N -4.16 2.08 -4.50 4.97 8.00 -1.26 -5.03 116.55 116.66 1a50 n ASP 56 Ca -0.00 -3.07 -0.36 0.00 0.71 0.00 0.00 54.79 52.07 1a50 n ASP 56 Cb 0.37 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1a50 n ASP 56 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1a50 n PRO 57 N 1.31 2.30 0.00 -0.24 -0.04 -1.26 -4.80 135.00 132.27 1a50 n PRO 57 Ca 0.26 -2.78 0.10 0.00 -0.04 0.00 0.00 63.50 61.04 1a50 n PRO 57 Cb 0.45 -3.58 0.58 0.00 -0.04 0.00 0.00 33.50 30.91 1a50 n PRO 57 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1a50 n LEU 58 N 11.26 0.00 -0.57 1.53 -0.00 -1.26 -2.24 117.00 125.72 1a50 n LEU 58 Ca 0.47 0.08 0.05 0.00 -0.00 0.00 0.00 56.01 56.61 1a50 n LEU 58 Cb 0.46 -0.08 0.15 0.00 -0.00 0.00 0.00 43.42 43.95 1a50 n LEU 58 CO 0.74 -0.03 0.62 0.00 -0.00 0.00 0.00 177.39 178.73 1a50 n ALA 59 N -1.08 2.26 -2.55 1.47 0.00 -1.26 -5.01 120.51 114.34 1a50 n ALA 59 Ca 0.14 -1.31 -0.32 0.00 0.00 0.00 0.00 53.44 51.95 1a50 n ALA 59 Cb 0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 1a50 n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a50 s ASP 60 N -1.16 4.38 0.79 0.00 1.01 -0.95 -3.03 116.67 117.71 1a50 s ASP 60 Ca 0.23 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1a50 s ASP 60 Cb 0.14 -0.94 0.13 0.00 1.01 0.00 0.00 42.92 43.26 1a50 s ASP 60 CO 0.12 0.27 1.11 -0.83 0.21 0.00 0.00 175.17 176.06 1a50 s GLY 61 N -1.43 1.75 0.23 0.21 0.00 -0.75 -4.72 107.32 102.61 1a50 s GLY 61 Ca 0.16 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.46 1a50 s GLY 61 CO 0.07 -0.74 1.62 -2.55 0.00 0.00 0.00 173.10 171.50 1a50 h PRO 62 N -0.91 0.04 -0.24 2.90 0.11 -1.99 -1.25 132.00 130.65 1a50 h PRO 62 Ca -0.41 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.76 1a50 h PRO 62 Cb 1.27 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 1a50 h PRO 62 CO 0.45 0.02 -0.25 1.15 -0.21 0.00 0.00 178.00 179.16 1a50 h THR 63 N 0.04 0.37 0.00 -1.15 2.02 -1.94 -0.11 112.91 112.13 1a50 h THR 63 Ca 0.37 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.45 1a50 h THR 63 Cb 0.61 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1a50 h THR 63 CO -0.72 0.00 -0.52 0.40 0.37 0.00 0.00 175.52 175.05 1a50 h ILE 64 N -0.26 1.04 -0.82 3.11 2.04 -1.84 -2.71 117.51 118.08 1a50 h ILE 64 Ca 0.14 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1a50 h ILE 64 Cb 0.47 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1a50 h ILE 64 CO -0.39 0.51 0.45 1.56 0.00 0.00 0.00 178.15 180.28 1a50 h GLN 65 N 0.00 1.13 -0.08 2.37 4.20 -0.38 -2.02 115.11 120.33 1a50 h GLN 65 Ca -0.01 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 1a50 h GLN 65 Cb 1.19 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1a50 h GLN 65 CO 0.07 0.83 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.75 1a50 h ASN 66 N 1.13 0.19 -0.57 1.46 2.35 -0.88 -2.63 115.58 116.62 1a50 h ASN 66 Ca 0.29 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 1a50 h ASN 66 Cb 0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1a50 h ASN 66 CO -0.05 0.57 0.12 0.00 -1.65 0.00 0.00 177.43 176.43 1a50 h ALA 67 N 1.44 0.76 -0.65 -0.83 0.00 -1.08 0.14 119.26 119.04 1a50 h ALA 67 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1a50 h ALA 67 Cb 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1a50 h ALA 67 CO 0.06 0.48 0.29 -0.91 0.00 0.00 0.00 179.25 179.16 1a50 h ASN 68 N 0.83 0.88 -0.13 0.00 4.21 -1.18 -0.79 115.58 119.40 1a50 h ASN 68 Ca 0.18 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 1a50 h ASN 68 Cb 0.37 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1a50 h ASN 68 CO 0.01 0.79 0.07 -0.07 -1.29 0.00 0.00 177.43 176.93 1a50 h LEU 69 N 0.91 0.16 -0.85 1.61 4.07 -1.11 0.07 115.31 120.18 1a50 h LEU 69 Ca 0.22 -0.09 0.07 0.00 0.08 0.00 0.00 57.88 58.16 1a50 h LEU 69 Cb 0.16 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 1a50 h LEU 69 CO -0.02 0.21 0.52 0.03 -1.08 0.00 0.00 178.44 178.09 1a50 h ARG 70 N 0.10 0.91 -0.09 1.13 3.08 -0.73 0.18 114.38 118.96 1a50 h ARG 70 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a50 h ARG 70 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1a50 h ARG 70 CO -0.01 0.60 0.05 0.00 -1.07 0.00 0.00 179.97 179.54 1a50 h ALA 71 N 1.41 0.11 -0.61 0.04 0.00 -0.53 -1.85 119.26 117.83 1a50 h ALA 71 Ca 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1a50 h ALA 71 Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1a50 h ALA 71 CO -0.19 -0.35 0.35 0.74 0.00 0.00 0.00 179.25 179.80 1a50 h PHE 72 N 0.05 0.83 -0.09 0.00 0.04 -0.53 0.10 116.94 117.34 1a50 h PHE 72 Ca 0.03 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1a50 h PHE 72 Cb 0.08 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1a50 h PHE 72 CO -0.04 0.59 0.15 0.00 -0.60 0.00 0.00 178.31 178.41 1a50 h ALA 73 N 1.17 1.52 -0.03 2.45 0.00 -0.35 0.52 119.26 124.53 1a50 h ALA 73 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a50 h ALA 73 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a50 h ALA 73 CO -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1a50 n ALA 74 N -2.21 2.57 -1.00 0.00 0.00 -0.02 -4.92 120.51 114.94 1a50 n ALA 74 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1a50 n ALA 74 Cb 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1a50 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a50 n GLY 75 N 1.18 0.45 3.72 0.00 0.00 0.18 -4.93 105.19 105.79 1a50 n GLY 75 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1a50 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a50 s VAL 76 N -2.00 3.20 0.31 1.61 1.01 -0.96 -5.02 120.40 118.55 1a50 s VAL 76 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1a50 s VAL 76 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1a50 s VAL 76 CO 0.00 0.07 -0.07 0.42 0.00 0.00 0.00 175.10 175.52 1a50 s THR 77 N 1.09 1.89 0.36 3.92 -4.23 -1.26 -4.66 115.64 112.76 1a50 s THR 77 Ca 0.65 -2.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1a50 s THR 77 Cb -0.38 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.22 1a50 s THR 77 CO 0.30 -0.25 1.93 -0.65 -0.54 0.00 0.00 174.62 175.42 1a50 h PRO 78 N 2.16 0.70 -0.59 3.99 0.11 -1.96 -1.45 132.00 134.96 1a50 h PRO 78 Ca -0.41 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1a50 h PRO 78 Cb 1.24 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1a50 h PRO 78 CO 0.69 0.46 0.24 0.00 -0.21 0.00 0.00 178.00 179.19 1a50 h ALA 79 N 1.60 0.76 -0.18 -0.75 0.00 -2.00 -1.86 119.26 116.83 1a50 h ALA 79 Ca 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1a50 h ALA 79 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a50 h ALA 79 CO -0.13 0.36 -0.24 1.96 0.00 0.00 0.00 179.25 181.20 1a50 h GLN 80 N 0.81 0.33 -0.25 0.00 4.20 -1.73 -2.58 115.11 115.88 1a50 h GLN 80 Ca 0.20 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1a50 h GLN 80 Cb 0.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1a50 h GLN 80 CO -0.02 0.55 0.10 0.00 -0.67 0.00 0.00 178.83 178.79 1a50 h PHE 82 N 0.25 0.00 -0.13 0.00 0.04 -1.15 0.26 116.94 116.21 1a50 h PHE 82 Ca 0.08 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 1a50 h PHE 82 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1a50 h PHE 82 CO -0.01 0.08 -0.34 0.93 -0.60 0.00 0.00 178.31 178.38 1a50 h GLU 83 N 0.00 0.45 -0.56 1.51 5.08 -0.97 -2.41 114.58 117.69 1a50 h GLU 83 Ca -0.00 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1a50 h GLU 83 Cb 0.21 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1a50 h GLU 83 CO 0.01 0.93 0.26 0.52 -1.00 0.00 0.00 179.01 179.73 1a50 h MET 84 N 0.04 0.81 -0.96 2.33 2.86 -0.02 -2.50 114.93 117.49 1a50 h MET 84 Ca -0.01 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1a50 h MET 84 Cb 0.95 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.39 1a50 h MET 84 CO 0.07 0.67 0.61 -0.07 1.06 0.00 0.00 176.91 179.25 1a50 h LEU 85 N 0.76 0.83 -0.30 1.22 4.07 -0.48 0.41 115.31 121.83 1a50 h LEU 85 Ca 0.19 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.03 1a50 h LEU 85 Cb 0.13 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1a50 h LEU 85 CO -0.02 0.44 -0.45 0.00 -1.08 0.00 0.00 178.44 177.33 1a50 h ALA 86 N 1.56 0.46 -0.58 1.53 0.00 -1.03 -2.27 119.26 118.92 1a50 h ALA 86 Ca 0.47 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1a50 h ALA 86 Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a50 h ALA 86 CO -0.24 0.60 0.04 -0.07 0.00 0.00 0.00 179.25 179.59 1a50 h LEU 87 N 0.60 0.95 -0.36 0.00 3.38 -0.90 -0.95 115.31 118.02 1a50 h LEU 87 Ca 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1a50 h LEU 87 Cb 1.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1a50 h LEU 87 CO 0.10 0.98 0.10 0.40 0.09 0.00 0.00 178.44 180.11 1a50 h ILE 88 N 0.91 1.22 -0.51 1.22 2.04 -0.90 -2.41 117.51 119.08 1a50 h ILE 88 Ca 0.17 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1a50 h ILE 88 Cb 0.47 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1a50 h ILE 88 CO 0.02 0.25 0.08 -0.09 0.00 0.00 0.00 178.15 178.41 1a50 h ARG 89 N 0.44 0.80 -0.11 2.37 9.65 -1.20 -0.89 114.38 125.44 1a50 h ARG 89 Ca 0.12 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1a50 h ARG 89 Cb 0.28 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1a50 h ARG 89 CO -0.00 0.75 -0.10 0.93 2.80 0.00 0.00 179.97 184.36 1a50 h GLU 90 N 0.76 0.17 0.05 0.20 5.08 -0.93 -3.00 114.58 116.91 1a50 h GLU 90 Ca 0.16 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.20 1a50 h GLU 90 Cb 0.35 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1a50 h GLU 90 CO 0.01 0.28 -1.58 0.87 -1.00 0.00 0.00 179.01 177.58 1a50 h LYS 91 N 0.16 0.11 -3.30 2.33 1.57 -0.89 -3.43 116.57 113.12 1a50 h LYS 91 Ca 0.04 -0.18 -0.61 0.00 -1.87 0.00 0.00 60.65 58.03 1a50 h LYS 91 Cb 0.28 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.26 1a50 h LYS 91 CO 0.02 0.84 -0.74 -1.01 -0.57 0.00 0.00 179.45 177.99 1a50 s HIS 92 N -2.62 2.03 0.27 -1.35 3.76 -0.40 -5.00 115.29 111.98 1a50 s HIS 92 Ca -0.07 -2.25 0.28 0.00 -0.15 0.00 0.00 55.06 52.87 1a50 s HIS 92 Cb 0.08 -1.91 1.30 0.00 1.11 0.00 0.00 32.58 33.15 1a50 s HIS 92 CO 0.83 -0.83 1.98 -1.00 -0.85 0.00 0.00 174.74 174.87 1a50 h PRO 93 N 7.24 0.00 0.00 8.40 0.13 -1.83 -3.35 132.00 142.59 1a50 h PRO 93 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1a50 h PRO 93 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1a50 h PRO 93 CO 0.48 0.13 -1.56 0.25 -0.23 0.00 0.00 178.00 177.08 1a50 n THR 94 N -3.42 0.00 -2.02 1.56 -2.24 -1.26 -4.99 114.28 101.90 1a50 n THR 94 Ca -0.01 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1a50 n THR 94 Cb 0.31 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1a50 n THR 94 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1a50 s ILE 95 N -2.86 2.98 0.32 2.28 2.07 -1.26 -4.91 121.20 119.82 1a50 s ILE 95 Ca -0.04 0.65 -0.29 0.00 -1.41 0.00 0.00 60.65 59.55 1a50 s ILE 95 Cb 0.08 -3.41 -0.10 0.00 0.13 0.00 0.00 42.46 39.15 1a50 s ILE 95 CO 0.51 0.04 1.32 -2.84 -1.91 0.00 0.00 174.94 172.06 1a50 s PRO 96 N 1.50 4.35 -0.17 3.50 0.02 -1.26 -4.92 135.00 138.02 1a50 s PRO 96 Ca 0.69 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.93 1a50 s PRO 96 Cb -0.40 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.06 1a50 s PRO 96 CO 0.31 -0.21 -0.18 0.42 -0.33 0.00 0.00 177.00 177.01 1a50 s ILE 97 N -0.96 1.90 -0.00 2.83 1.01 -1.26 -1.67 121.20 123.04 1a50 s ILE 97 Ca 0.50 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1a50 s ILE 97 Cb -0.40 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1a50 s ILE 97 CO 0.51 0.50 -0.17 -0.83 0.00 0.00 0.00 174.94 174.95 1a50 s GLY 98 N 1.35 1.53 -0.09 6.18 0.00 -0.27 -0.19 107.32 115.82 1a50 s GLY 98 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1a50 s GLY 98 CO -0.12 -0.93 0.01 1.08 0.00 0.00 0.00 173.10 173.14 1a50 s LEU 99 N -1.05 3.63 -0.38 0.66 1.43 -0.14 -0.01 118.68 122.81 1a50 s LEU 99 Ca 0.13 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1a50 s LEU 99 Cb -0.10 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1a50 s LEU 99 CO 0.03 0.36 0.20 -0.22 0.23 0.00 0.00 176.35 176.95 1a50 s LEU 100 N -0.79 4.73 0.29 1.79 1.98 0.81 -0.70 118.68 126.79 1a50 s LEU 100 Ca 0.12 -1.04 0.11 0.00 -2.89 0.00 0.00 54.13 50.43 1a50 s LEU 100 Cb -0.12 -2.01 -0.05 0.00 0.66 0.00 0.00 46.19 44.67 1a50 s LEU 100 CO 0.02 -0.39 -0.12 -0.04 -1.89 0.00 0.00 176.35 173.93 1a50 s MET 101 N 1.53 1.88 -0.03 1.98 -1.94 0.71 -3.34 119.30 120.10 1a50 s MET 101 Ca 0.02 -1.72 0.02 0.00 -1.71 0.00 0.00 55.69 52.30 1a50 s MET 101 Cb -0.19 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1a50 s MET 101 CO 0.06 0.29 -0.08 0.71 -0.01 0.00 0.00 175.02 175.99 1a50 s TYR 102 N -2.49 2.89 0.28 -0.03 2.02 -1.26 -0.13 117.35 118.64 1a50 s TYR 102 Ca 0.31 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1a50 s TYR 102 Cb -0.04 -1.65 0.66 0.00 -0.40 0.00 0.00 41.96 40.53 1a50 s TYR 102 CO 0.17 0.34 1.64 0.00 -1.57 0.00 0.00 175.55 176.13 1a50 h ALA 103 N 4.92 1.19 -0.77 3.71 0.00 -1.90 -2.72 119.26 123.68 1a50 h ALA 103 Ca -0.48 0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1a50 h ALA 103 Cb 1.17 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1a50 h ALA 103 CO 0.53 -0.46 0.50 -0.97 0.00 0.00 0.00 179.25 178.84 1a50 h ASN 104 N 0.18 0.89 0.57 0.00 -1.24 -1.98 0.45 115.58 114.46 1a50 h ASN 104 Ca 0.53 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.48 1a50 h ASN 104 Cb 1.05 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.87 1a50 h ASN 104 CO -0.67 0.65 -0.14 -0.07 -1.29 0.00 0.00 177.43 175.92 1a50 h LEU 105 N 1.04 0.00 0.13 0.34 4.07 -1.92 0.59 115.31 119.56 1a50 h LEU 105 Ca 0.28 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.89 1a50 h LEU 105 Cb -0.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1a50 h LEU 105 CO -0.06 0.14 -1.84 0.58 -1.08 0.00 0.00 178.44 176.17 1a50 h VAL 106 N 0.00 0.80 0.05 1.22 2.07 -1.36 -3.37 116.25 115.64 1a50 h VAL 106 Ca -0.00 -2.49 -0.24 0.00 0.82 0.00 0.00 66.70 64.79 1a50 h VAL 106 Cb 0.46 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1a50 h VAL 106 CO 0.02 0.83 -1.04 0.15 0.02 0.00 0.00 177.57 177.56 1a50 h PHE 107 N 0.07 0.53 0.00 1.57 3.57 -0.66 -3.32 116.94 118.70 1a50 h PHE 107 Ca -0.36 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 60.81 1a50 h PHE 107 Cb 2.05 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.74 1a50 h PHE 107 CO 0.07 1.17 0.00 -1.71 -2.23 0.00 0.00 178.31 175.62 1a50 n ASN 108 N -3.66 0.00 -2.11 0.41 5.15 0.20 -0.97 115.26 114.27 1a50 n ASN 108 Ca -0.07 0.26 -0.22 0.00 -0.60 0.00 0.00 54.58 53.95 1a50 n ASN 108 Cb 0.89 -0.09 0.16 0.00 -0.53 0.00 0.00 39.78 40.21 1a50 n ASN 108 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a50 n ASN 109 N -1.58 3.91 0.00 1.20 5.03 -1.26 -4.97 115.26 117.59 1a50 n ASN 109 Ca 0.00 -3.46 0.00 0.00 0.87 0.00 0.00 54.58 51.99 1a50 n ASN 109 Cb 0.00 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 1a50 n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a50 n GLY 110 N -0.96 1.64 0.10 7.41 0.00 -0.15 -4.65 105.19 108.58 1a50 n GLY 110 Ca 0.54 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1a50 n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a50 h ILE 111 N 0.00 0.90 -0.57 -0.61 2.04 -1.73 -2.45 117.51 115.10 1a50 h ILE 111 Ca 0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1a50 h ILE 111 Cb 0.00 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1a50 h ILE 111 CO 0.00 0.01 0.35 -0.78 0.00 0.00 0.00 178.15 177.73 1a50 h ASP 112 N -0.17 0.66 0.20 1.72 3.58 -1.91 -1.95 116.42 118.56 1a50 h ASP 112 Ca -0.02 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1a50 h ASP 112 Cb 0.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1a50 h ASP 112 CO 0.03 0.50 -0.28 0.00 -2.88 0.00 0.00 179.24 176.61 1a50 h ALA 113 N 1.61 1.37 -0.28 -0.78 0.00 -1.77 -1.45 119.26 117.96 1a50 h ALA 113 Ca 0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1a50 h ALA 113 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a50 h ALA 113 CO -0.04 0.44 -0.20 0.35 0.00 0.00 0.00 179.25 179.80 1a50 h PHE 114 N 0.13 0.75 -0.07 0.00 3.57 -0.88 -2.57 116.94 117.86 1a50 h PHE 114 Ca 0.02 -0.20 -0.12 0.00 3.53 0.00 0.00 57.97 61.19 1a50 h PHE 114 Cb 0.58 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1a50 h PHE 114 CO 0.01 0.90 -0.51 1.88 -2.23 0.00 0.00 178.31 178.36 1a50 h TYR 115 N 0.37 0.24 -0.78 0.41 0.05 -1.34 -1.73 116.97 114.19 1a50 h TYR 115 Ca 0.06 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1a50 h TYR 115 Cb 0.74 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 1a50 h TYR 115 CO 0.07 0.66 0.31 0.00 -1.05 0.00 0.00 178.16 178.15 1a50 h ALA 116 N 1.32 1.06 -0.25 3.88 0.00 -1.23 -0.01 119.26 124.04 1a50 h ALA 116 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1a50 h ALA 116 Cb 0.95 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a50 h ALA 116 CO 0.08 0.66 -0.39 -0.09 0.00 0.00 0.00 179.25 179.50 1a50 h ARG 117 N 1.14 0.57 -0.33 0.00 9.65 -1.18 -1.32 114.38 122.92 1a50 h ARG 117 Ca 0.26 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1a50 h ARG 117 Cb 0.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1a50 h ARG 117 CO -0.02 0.87 0.10 0.00 2.80 0.00 0.00 179.97 183.72 1a50 h GLU 119 N 0.38 0.22 0.00 0.00 4.81 -0.85 -0.35 114.58 118.79 1a50 h GLU 119 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1a50 h GLU 119 Cb 0.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1a50 h GLU 119 CO -0.00 0.17 0.00 -0.56 -0.73 0.00 0.00 179.01 177.89 1a50 h GLN 120 N 0.19 0.00 0.00 1.92 3.07 -1.13 -2.45 115.11 116.71 1a50 h GLN 120 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1a50 h GLN 120 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1a50 h GLN 120 CO -0.01 0.00 -0.92 0.28 0.09 0.00 0.00 178.83 178.27 1a50 n VAL 121 N -2.75 0.42 0.00 1.86 0.31 -0.66 -4.97 118.33 112.55 1a50 n VAL 121 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1a50 n VAL 121 Cb 0.28 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1a50 n VAL 121 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a50 n GLY 122 N 1.27 1.03 3.77 2.92 0.00 -0.54 -4.41 105.19 109.23 1a50 n GLY 122 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1a50 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a50 s VAL 123 N -2.00 3.09 -0.26 1.61 1.01 -0.25 -4.79 120.40 118.81 1a50 s VAL 123 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 1a50 s VAL 123 Cb 0.00 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 32.77 1a50 s VAL 123 CO 0.00 0.01 -0.22 0.47 0.00 0.00 0.00 175.10 175.37 1a50 n ASP 124 N -0.35 1.98 -4.09 3.32 8.00 0.73 -4.63 116.55 121.51 1a50 n ASP 124 Ca 0.07 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 1a50 n ASP 124 Cb 0.48 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 1a50 n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a50 s SER 125 N -6.76 0.38 -0.04 -2.24 1.04 -0.78 -0.69 113.70 104.62 1a50 s SER 125 Ca -0.35 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.02 1a50 s SER 125 Cb 0.10 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1a50 s SER 125 CO 0.59 -0.67 0.02 -0.69 0.98 0.00 0.00 173.24 173.47 1a50 s VAL 126 N -3.97 0.11 -0.26 5.02 1.01 -0.17 -0.97 120.40 121.16 1a50 s VAL 126 Ca 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1a50 s VAL 126 Cb 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1a50 s VAL 126 CO -0.05 0.17 -0.01 -0.22 0.00 0.00 0.00 175.10 174.98 1a50 s LEU 127 N 1.51 3.40 -0.53 3.92 0.20 0.12 -1.42 118.68 125.87 1a50 s LEU 127 Ca -0.03 -0.80 -0.18 0.00 0.69 0.00 0.00 54.13 53.81 1a50 s LEU 127 Cb -0.13 -1.74 0.09 0.00 -0.43 0.00 0.00 46.19 43.98 1a50 s LEU 127 CO -0.03 -0.14 0.57 -0.69 -0.29 0.00 0.00 176.35 175.76 1a50 s VAL 128 N 1.39 5.01 0.32 1.68 1.01 -1.26 -0.20 120.40 128.34 1a50 s VAL 128 Ca 0.01 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1a50 s VAL 128 Cb -0.17 -4.32 0.31 0.00 0.00 0.00 0.00 36.38 32.20 1a50 s VAL 128 CO -0.02 -0.86 1.79 0.00 0.00 0.00 0.00 175.10 176.01 1a50 h ALA 129 N 8.97 1.73 -0.71 5.51 0.00 -0.90 -2.64 119.26 131.23 1a50 h ALA 129 Ca -0.29 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1a50 h ALA 129 Cb 1.10 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1a50 h ALA 129 CO 1.00 -0.07 0.27 -0.40 0.00 0.00 0.00 179.25 180.05 1a50 n ASP 130 N -4.71 4.46 -4.03 0.00 5.75 -1.26 -4.80 116.55 111.96 1a50 n ASP 130 Ca 0.22 -3.30 -0.31 0.00 -0.01 0.00 0.00 54.79 51.39 1a50 n ASP 130 Cb 0.56 -0.74 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 1a50 n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a50 s VAL 131 N -3.05 2.21 0.87 2.12 1.01 -1.00 -4.88 120.40 117.69 1a50 s VAL 131 Ca 0.54 -2.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 1a50 s VAL 131 Cb 0.44 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 34.38 1a50 s VAL 131 CO 0.12 -0.45 1.11 -2.16 0.00 0.00 0.00 175.10 173.72 1a50 s PRO 132 N 0.97 1.47 0.51 2.72 0.04 -1.26 -4.81 135.00 134.64 1a50 s PRO 132 Ca 0.06 0.49 0.20 0.00 0.04 0.00 0.00 61.00 61.78 1a50 s PRO 132 Cb -0.19 -1.86 1.28 0.00 0.04 0.00 0.00 34.50 33.77 1a50 s PRO 132 CO -0.08 -2.01 2.04 -0.39 0.04 0.00 0.00 177.00 176.60 1a50 h VAL 133 N -1.37 0.85 0.00 -0.36 -1.51 -1.99 -0.88 116.25 111.00 1a50 h VAL 133 Ca -0.49 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.92 1a50 h VAL 133 Cb 1.30 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1a50 h VAL 133 CO 0.60 0.02 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.52 1a50 h GLU 134 N 0.08 0.00 -0.23 5.19 3.07 -2.04 -2.73 114.58 117.93 1a50 h GLU 134 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1a50 h GLU 134 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1a50 h GLU 134 CO -0.02 0.11 0.00 0.39 -1.40 0.00 0.00 179.01 178.09 1a50 n GLU 135 N -3.79 2.81 0.04 2.33 -0.58 -0.37 -4.74 120.64 116.34 1a50 n GLU 135 Ca -0.02 -2.10 0.13 0.00 -0.42 0.00 0.00 57.16 54.75 1a50 n GLU 135 Cb 0.21 -1.32 0.36 0.00 -0.57 0.00 0.00 31.44 30.12 1a50 n GLU 135 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a50 n SER 136 N -0.01 0.49 -0.27 1.62 3.41 -0.97 -4.55 113.62 113.33 1a50 n SER 136 Ca 0.11 0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.88 1a50 n SER 136 Cb 0.48 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1a50 n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a50 n ALA 137 N -1.65 -0.42 -0.17 7.33 0.00 -1.26 -0.72 120.51 123.63 1a50 n ALA 137 Ca 0.05 0.55 0.09 0.00 0.00 0.00 0.00 53.44 54.14 1a50 n ALA 137 Cb 0.38 0.04 0.40 0.00 0.00 0.00 0.00 19.45 20.27 1a50 n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1a50 h PRO 138 N 0.00 0.63 -0.01 0.00 0.11 -2.00 -2.16 132.00 128.57 1a50 h PRO 138 Ca 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1a50 h PRO 138 Cb 0.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1a50 h PRO 138 CO -0.61 0.42 -0.17 0.74 -0.21 0.00 0.00 178.00 178.16 1a50 h PHE 139 N 0.65 0.19 -0.33 0.65 -1.00 -1.21 -2.74 116.94 113.16 1a50 h PHE 139 Ca 0.32 -0.10 -0.13 0.00 2.81 0.00 0.00 57.97 60.87 1a50 h PHE 139 Cb 0.40 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1a50 h PHE 139 CO -0.00 0.86 -0.32 0.07 -1.61 0.00 0.00 178.31 177.31 1a50 h ARG 140 N -0.53 0.72 -0.48 1.51 0.11 -0.91 -1.02 114.38 113.77 1a50 h ARG 140 Ca -0.02 -0.33 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 1a50 h ARG 140 Cb 0.90 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 1a50 h ARG 140 CO 0.03 0.94 0.27 1.96 0.10 0.00 0.00 179.97 183.28 1a50 h GLN 141 N 0.61 0.67 -0.75 0.08 4.20 -1.50 0.23 115.11 118.64 1a50 h GLN 141 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1a50 h GLN 141 Cb 0.84 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1a50 h GLN 141 CO 0.07 0.52 0.34 0.00 -0.67 0.00 0.00 178.83 179.09 1a50 h ALA 142 N 1.11 0.97 -0.15 3.87 0.00 -1.33 -0.52 119.26 123.22 1a50 h ALA 142 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a50 h ALA 142 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1a50 h ALA 142 CO -0.03 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.86 1a50 h ALA 143 N 1.17 0.19 -0.35 0.00 0.00 -0.41 -2.49 119.26 117.37 1a50 h ALA 143 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a50 h ALA 143 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a50 h ALA 143 CO -0.03 -0.28 0.22 -0.07 0.00 0.00 0.00 179.25 179.09 1a50 h LEU 144 N 0.16 0.42 -2.30 0.00 4.07 -0.34 0.29 115.31 117.60 1a50 h LEU 144 Ca 0.05 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1a50 h LEU 144 Cb 0.06 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1a50 h LEU 144 CO -0.01 0.34 0.12 0.03 -1.08 0.00 0.00 178.44 177.84 1a50 h ARG 145 N 0.46 0.00 -0.28 1.13 3.08 -0.92 -1.20 114.38 116.65 1a50 h ARG 145 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1a50 h ARG 145 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1a50 h ARG 145 CO -0.02 0.00 -0.00 0.72 -1.07 0.00 0.00 179.97 179.59 1a50 n HIS 146 N -3.85 0.97 -3.82 3.04 8.25 -0.77 -4.97 115.22 114.07 1a50 n HIS 146 Ca -0.00 -1.06 -0.28 0.00 -0.26 0.00 0.00 57.72 56.12 1a50 n HIS 146 Cb 0.23 -0.36 0.04 0.00 1.12 0.00 0.00 29.99 31.02 1a50 n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a50 n ASN 147 N -0.70 -4.73 -4.47 0.41 3.02 -0.45 -4.66 115.26 103.67 1a50 n ASN 147 Ca 0.24 -0.73 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 1a50 n ASN 147 Cb 0.93 -4.17 -0.13 0.00 -0.61 0.00 0.00 39.78 35.79 1a50 n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a50 s ILE 148 N -3.34 3.02 -0.19 2.41 -1.09 0.95 -4.96 121.20 117.99 1a50 s ILE 148 Ca 0.57 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.98 1a50 s ILE 148 Cb -0.28 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 1a50 s ILE 148 CO 0.81 0.57 0.82 0.00 -1.23 0.00 0.00 174.94 175.91 1a50 s ALA 149 N -0.74 3.56 -0.35 9.38 0.00 0.13 -3.83 121.76 129.91 1a50 s ALA 149 Ca 0.12 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 1a50 s ALA 149 Cb -0.11 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1a50 s ALA 149 CO 0.01 -0.73 0.96 -1.25 0.00 0.00 0.00 175.76 174.74 1a50 s PRO 150 N 2.36 3.92 -0.06 0.00 0.04 -1.26 -1.00 135.00 138.99 1a50 s PRO 150 Ca 0.37 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1a50 s PRO 150 Cb -0.16 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1a50 s PRO 150 CO 0.11 -0.91 0.48 0.42 0.04 0.00 0.00 177.00 177.14 1a50 s ILE 151 N 3.48 5.08 0.08 0.56 -1.09 -0.51 -2.79 121.20 126.02 1a50 s ILE 151 Ca 0.40 0.98 0.09 0.00 -2.23 0.00 0.00 60.65 59.89 1a50 s ILE 151 Cb -0.12 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1a50 s ILE 151 CO 0.17 0.41 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.70 1a50 s PHE 152 N 0.00 2.41 -0.13 3.97 0.08 -1.26 -4.45 117.98 118.60 1a50 s PHE 152 Ca 0.26 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 1a50 s PHE 152 Cb -0.16 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1a50 s PHE 152 CO 0.12 0.27 0.49 0.42 -0.10 0.00 0.00 175.22 176.42 1a50 s ILE 153 N -0.97 5.17 -0.46 0.64 1.01 -1.26 -1.66 121.20 123.66 1a50 s ILE 153 Ca 0.14 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.64 1a50 s ILE 153 Cb -0.10 -3.83 0.10 0.00 0.01 0.00 0.00 42.46 38.64 1a50 s ILE 153 CO 0.05 0.29 0.35 0.00 0.00 0.00 0.00 174.94 175.64 1a50 s PRO 155 N 1.48 2.98 0.42 0.00 0.04 -1.26 -1.52 135.00 137.14 1a50 s PRO 155 Ca 0.04 0.57 0.10 0.00 0.04 0.00 0.00 61.00 61.76 1a50 s PRO 155 Cb -0.25 -2.03 0.89 0.00 0.04 0.00 0.00 34.50 33.16 1a50 s PRO 155 CO 0.02 -0.97 1.99 -1.00 0.04 0.00 0.00 177.00 177.08 1a50 h PRO 156 N -0.61 0.24 -0.90 0.56 0.13 -1.87 -2.22 132.00 127.32 1a50 h PRO 156 Ca -0.45 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1a50 h PRO 156 Cb 1.24 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1a50 h PRO 156 CO 0.63 0.30 0.04 0.27 -0.23 0.00 0.00 178.00 179.00 1a50 n ASN 157 N -4.36 2.62 -4.71 1.44 6.94 -1.26 -4.92 115.26 111.00 1a50 n ASN 157 Ca -0.01 -2.33 -0.42 0.00 -0.02 0.00 0.00 54.58 51.81 1a50 n ASN 157 Cb 0.20 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 1a50 n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a50 s ALA 158 N -1.43 3.55 0.69 -2.53 0.00 -0.84 -5.04 121.76 116.17 1a50 s ALA 158 Ca 0.17 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1a50 s ALA 158 Cb 0.13 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.85 1a50 s ALA 158 CO 0.05 -0.59 0.95 0.16 0.00 0.00 0.00 175.76 176.32 1a50 s ASP 159 N 1.13 4.50 0.17 0.00 -4.77 -1.26 -4.92 116.67 111.52 1a50 s ASP 159 Ca 0.63 -0.52 -0.14 0.00 -3.30 0.00 0.00 52.55 49.22 1a50 s ASP 159 Cb -0.35 0.12 0.06 0.00 -1.09 0.00 0.00 42.92 41.66 1a50 s ASP 159 CO 0.30 -1.76 1.83 -0.78 0.70 0.00 0.00 175.17 175.46 1a50 h ASP 160 N -0.36 0.60 -0.48 2.11 3.58 -1.99 -2.28 116.42 117.59 1a50 h ASP 160 Ca -0.34 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.14 1a50 h ASP 160 Cb 1.27 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 1a50 h ASP 160 CO 0.40 0.44 0.20 0.44 -2.88 0.00 0.00 179.24 177.84 1a50 h ASP 161 N 0.70 0.26 -0.30 2.28 3.32 -2.00 -0.90 116.42 119.78 1a50 h ASP 161 Ca 0.19 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1a50 h ASP 161 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1a50 h ASP 161 CO -0.04 0.18 0.20 0.25 -1.72 0.00 0.00 179.24 178.11 1a50 h LEU 162 N 0.41 0.35 -0.55 1.55 5.85 -1.91 -2.20 115.31 118.80 1a50 h LEU 162 Ca 0.22 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.04 1a50 h LEU 162 Cb 0.18 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1a50 h LEU 162 CO -0.19 0.26 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.05 1a50 h LEU 163 N 0.40 -0.34 -1.00 2.25 4.07 -0.72 0.12 115.31 120.10 1a50 h LEU 163 Ca 0.11 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1a50 h LEU 163 Cb -0.04 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1a50 h LEU 163 CO -0.02 -0.13 0.31 0.03 -1.08 0.00 0.00 178.44 177.55 1a50 h ARG 164 N 0.07 1.02 -0.04 1.13 3.08 -0.93 -1.21 114.38 117.50 1a50 h ARG 164 Ca 0.28 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1a50 h ARG 164 Cb 0.43 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1a50 h ARG 164 CO -0.50 0.81 -0.03 1.96 -1.07 0.00 0.00 179.97 181.13 1a50 h GLN 165 N 1.01 0.09 -0.87 0.04 4.20 -0.51 -2.14 115.11 116.93 1a50 h GLN 165 Ca 0.24 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.97 1a50 h GLN 165 Cb 0.15 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1a50 h GLN 165 CO -0.03 0.55 0.57 0.28 -0.67 0.00 0.00 178.83 179.53 1a50 h VAL 166 N -0.37 1.06 -0.47 -0.54 2.07 -0.75 0.10 116.25 117.34 1a50 h VAL 166 Ca 0.01 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1a50 h VAL 166 Cb 0.53 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1a50 h VAL 166 CO 0.01 0.18 -0.00 0.00 0.02 0.00 0.00 177.57 177.77 1a50 h ALA 167 N 1.53 0.64 0.00 1.67 0.00 -1.10 -2.01 119.26 119.99 1a50 h ALA 167 Ca 0.37 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1a50 h ALA 167 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a50 h ALA 167 CO -0.14 0.45 -0.89 0.66 0.00 0.00 0.00 179.25 179.33 1a50 h SER 168 N 0.70 0.00 0.26 0.00 4.64 -0.91 -3.38 113.55 114.86 1a50 h SER 168 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.12 1a50 h SER 168 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1a50 h SER 168 CO 0.03 0.48 -1.83 1.88 -0.87 0.00 0.00 176.83 176.52 1a50 h TYR 169 N 0.00 0.42 -4.21 4.77 0.05 -1.05 -3.48 116.97 113.47 1a50 h TYR 169 Ca -0.07 -0.31 -0.49 0.00 0.05 0.00 0.00 58.73 57.92 1a50 h TYR 169 Cb 1.42 -0.02 0.13 0.00 1.01 0.00 0.00 36.73 39.27 1a50 h TYR 169 CO 0.00 1.55 0.30 0.20 -1.05 0.00 0.00 178.16 179.16 1a50 s GLY 170 N -5.32 1.63 0.20 3.88 0.00 -0.76 -4.78 107.32 102.16 1a50 s GLY 170 Ca -0.16 -0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.29 1a50 s GLY 170 CO 0.81 0.32 0.48 0.50 0.00 0.00 0.00 173.10 175.21 1a50 s ARG 171 N -5.06 1.37 0.00 2.90 3.00 -1.12 -4.77 118.95 115.27 1a50 s ARG 171 Ca 0.62 -0.96 0.00 0.00 0.00 0.00 0.00 55.73 55.39 1a50 s ARG 171 Cb -0.16 0.49 0.00 0.00 0.00 0.00 0.00 34.95 35.29 1a50 s ARG 171 CO 0.55 -0.57 0.00 0.41 0.00 0.00 0.00 175.30 175.69 1a50 n GLY 172 N -0.32 1.83 3.53 -3.53 0.00 -1.26 -4.55 105.19 100.87 1a50 n GLY 172 Ca -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1a50 n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a50 s TYR 173 N 0.00 -0.05 -0.17 1.61 -0.85 -1.26 -4.27 117.35 112.36 1a50 s TYR 173 Ca 0.00 -0.30 -0.04 0.00 -0.52 0.00 0.00 57.07 56.20 1a50 s TYR 173 Cb 0.00 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 1a50 s TYR 173 CO 0.00 -0.92 -0.02 0.99 -1.52 0.00 0.00 175.55 174.08 1a50 s THR 174 N -3.89 3.98 -0.28 -3.49 2.01 0.34 -4.50 115.64 109.80 1a50 s THR 174 Ca 0.11 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 1a50 s THR 174 Cb -0.01 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1a50 s THR 174 CO -0.01 0.47 0.84 -0.47 -0.69 0.00 0.00 174.62 174.76 1a50 s TYR 175 N 0.55 3.23 -0.26 4.92 6.14 -0.67 -0.58 117.35 130.69 1a50 s TYR 175 Ca -0.02 0.98 -0.09 0.00 0.64 0.00 0.00 57.07 58.58 1a50 s TYR 175 Cb -0.14 -3.22 -0.04 0.00 0.42 0.00 0.00 41.96 38.98 1a50 s TYR 175 CO 0.02 -0.53 0.12 -1.17 0.64 0.00 0.00 175.55 174.63 1a50 s LEU 176 N 3.01 3.68 -0.21 6.97 2.96 0.79 0.14 118.68 136.02 1a50 s LEU 176 Ca 0.35 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.86 1a50 s LEU 176 Cb -0.14 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1a50 s LEU 176 CO 0.11 -0.04 0.99 -0.76 -1.32 0.00 0.00 176.35 175.33 1a50 s LEU 177 N 1.66 4.13 0.38 -0.68 1.43 -0.57 -0.49 118.68 124.53 1a50 s LEU 177 Ca 0.07 1.34 0.27 0.00 -1.03 0.00 0.00 54.13 54.78 1a50 s LEU 177 Cb -0.15 -3.47 0.89 0.00 0.03 0.00 0.00 46.19 43.48 1a50 s LEU 177 CO 0.07 -0.60 1.78 0.77 0.23 0.00 0.00 176.35 178.60 1a50 h SER 178 N 7.42 0.00 -5.24 2.29 4.64 -1.69 -3.36 113.55 117.61 1a50 h SER 178 Ca -0.22 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1a50 h SER 178 Cb 1.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1a50 h SER 178 CO 0.94 0.00 0.44 0.00 -0.87 0.00 0.00 176.83 177.33 1a50 s ARG 179 N -3.35 1.55 0.60 4.77 1.70 -1.26 -4.98 118.95 117.99 1a50 s ARG 179 Ca 0.05 -0.95 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1a50 s ARG 179 Cb 0.09 0.47 0.13 0.00 -0.57 0.00 0.00 34.95 35.07 1a50 s ARG 179 CO 0.55 -0.72 0.82 -1.13 -1.08 0.00 0.00 175.30 173.75 1a50 n SER 180 N -0.94 0.69 0.00 -2.89 3.41 -1.26 -4.79 113.62 107.85 1a50 n SER 180 Ca -0.05 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1a50 n SER 180 Cb 0.60 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1a50 n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a50 n GLY 181 N -0.95 -0.55 2.76 5.00 0.00 -1.26 -5.00 105.19 105.19 1a50 n GLY 181 Ca 0.12 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 1a50 n GLY 181 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a50 n VAL 182 N 0.00 0.00 -2.07 1.61 0.24 -1.26 -5.02 118.33 111.83 1a50 n VAL 182 Ca 0.00 -1.83 -0.41 0.00 -2.04 0.00 0.00 64.34 60.06 1a50 n VAL 182 Cb 0.00 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 1a50 n VAL 182 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1a50 s THR 183 N -2.42 2.79 -0.30 3.34 -4.23 -1.17 -4.78 115.64 108.87 1a50 s THR 183 Ca 0.01 0.67 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1a50 s THR 183 Cb 0.00 -3.43 0.20 0.00 1.34 0.00 0.00 72.50 70.62 1a50 s THR 183 CO 0.01 0.11 1.30 -0.83 -0.54 0.00 0.00 174.62 174.67 1a50 s GLY 184 N 0.26 0.44 0.12 3.99 0.00 -1.26 -1.81 107.32 109.06 1a50 s GLY 184 Ca 0.58 3.78 -0.16 0.00 0.00 0.00 0.00 44.72 48.92 1a50 s GLY 184 CO 0.43 3.21 1.60 0.00 0.00 0.00 0.00 173.10 178.34 1a50 h ALA 185 N 6.40 0.50 -0.57 3.20 0.00 -1.88 -3.21 119.26 123.70 1a50 h ALA 185 Ca -0.17 -0.21 -0.73 0.00 0.00 0.00 0.00 54.91 53.80 1a50 h ALA 185 Cb 1.14 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1a50 h ALA 185 CO 0.12 0.21 2.59 -0.85 0.00 0.00 0.00 179.25 181.32 1a50 n GLU 186 N -4.55 4.35 0.00 0.00 0.00 -1.26 -4.73 120.64 114.45 1a50 n GLU 186 Ca -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 57.16 53.87 1a50 n GLU 186 Cb 0.23 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 28.97 1a50 n GLU 186 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1a50 n ASN 187 N 2.27 0.20 0.00 -1.84 5.15 -1.23 -5.16 115.26 114.65 1a50 n ASN 187 Ca 0.62 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 1a50 n ASN 187 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1a50 n ASN 187 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1a50 n HIS 194 N 0.00 -0.10 -0.34 1.20 -0.00 -1.26 -4.46 115.22 110.26 1a50 n HIS 194 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1a50 n HIS 194 Cb 0.00 0.02 0.09 0.00 -0.12 0.00 0.00 29.99 29.98 1a50 n HIS 194 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1a50 h HIS 195 N 0.00 1.25 0.15 1.57 6.17 -2.00 -1.24 115.15 121.05 1a50 h HIS 195 Ca 0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 1a50 h HIS 195 Cb 0.00 -0.40 0.00 0.00 2.52 0.00 0.00 27.41 29.53 1a50 h HIS 195 CO 0.00 0.86 -0.07 -0.07 0.71 0.00 0.00 177.93 179.36 1a50 h LEU 196 N 1.27 -0.17 -0.77 0.26 3.38 -1.98 -1.88 115.31 115.42 1a50 h LEU 196 Ca 0.32 -0.23 0.17 0.00 0.09 0.00 0.00 57.88 58.23 1a50 h LEU 196 Cb 0.03 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1a50 h LEU 196 CO -0.05 0.14 0.24 0.40 0.09 0.00 0.00 178.44 179.26 1a50 h ILE 197 N -0.49 0.52 -0.11 1.22 2.04 -1.84 0.25 117.51 119.09 1a50 h ILE 197 Ca -0.02 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1a50 h ILE 197 Cb 0.38 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1a50 h ILE 197 CO 0.03 0.06 0.02 -0.08 0.00 0.00 0.00 178.15 178.18 1a50 h GLU 198 N 0.32 0.19 -0.91 2.37 4.81 -1.16 -1.88 114.58 118.32 1a50 h GLU 198 Ca 0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1a50 h GLU 198 Cb 0.77 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1a50 h GLU 198 CO -0.50 0.38 0.51 -0.22 -0.73 0.00 0.00 179.01 178.44 1a50 h LYS 199 N -0.03 1.26 -0.70 1.92 1.63 -0.41 0.23 116.57 120.47 1a50 h LYS 199 Ca 0.04 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1a50 h LYS 199 Cb 0.28 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1a50 h LYS 199 CO 0.00 0.92 0.38 -0.07 -3.45 0.00 0.00 179.45 177.23 1a50 h LEU 200 N 1.27 0.87 -0.31 5.20 3.38 -0.45 0.34 115.31 125.62 1a50 h LEU 200 Ca 0.32 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1a50 h LEU 200 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1a50 h LEU 200 CO -0.05 0.72 0.05 0.11 0.09 0.00 0.00 178.44 179.36 1a50 h LYS 201 N 0.96 0.50 -0.69 1.13 1.57 -0.65 0.10 116.57 119.49 1a50 h LYS 201 Ca 0.25 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 1a50 h LYS 201 Cb 0.04 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.21 1a50 h LYS 201 CO -0.04 0.60 0.29 1.49 -0.57 0.00 0.00 179.45 181.22 1a50 h GLU 202 N 0.33 0.47 -0.24 3.15 4.81 -0.00 -0.78 114.58 122.32 1a50 h GLU 202 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1a50 h GLU 202 Cb 0.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1a50 h GLU 202 CO 0.01 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 179.25 1a50 n TYR 203 N -4.96 0.28 -3.55 0.92 4.01 0.06 -4.92 117.16 109.01 1a50 n TYR 203 Ca 0.11 -0.13 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1a50 n TYR 203 Cb 0.33 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.42 1a50 n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a50 n HIS 204 N 0.08 -2.72 -1.85 -0.72 8.25 -0.30 -4.78 115.22 113.19 1a50 n HIS 204 Ca 0.07 0.99 -0.32 0.00 -0.26 0.00 0.00 57.72 58.20 1a50 n HIS 204 Cb 0.19 -4.99 0.02 0.00 1.12 0.00 0.00 29.99 26.33 1a50 n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a50 s ALA 205 N -3.32 2.79 0.62 -1.41 0.00 -0.03 -4.91 121.76 115.50 1a50 s ALA 205 Ca 0.47 0.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 1a50 s ALA 205 Cb -0.21 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1a50 s ALA 205 CO 0.72 -0.92 1.21 0.00 0.00 0.00 0.00 175.76 176.77 1a50 s ALA 206 N -2.83 2.48 0.04 0.00 0.00 -1.26 -4.82 121.76 115.37 1a50 s ALA 206 Ca 0.60 0.98 -0.38 0.00 0.00 0.00 0.00 51.96 53.16 1a50 s ALA 206 Cb -0.14 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.34 1a50 s ALA 206 CO 0.46 -1.28 1.03 -2.30 0.00 0.00 0.00 175.76 173.67 1a50 n PRO 207 N -1.80 0.17 -2.90 0.00 -0.02 -1.26 -3.39 135.00 125.79 1a50 n PRO 207 Ca 0.14 0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 1a50 n PRO 207 Cb 0.50 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 1a50 n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a50 s ALA 208 N -0.10 3.36 -0.17 3.55 0.00 -1.26 -0.50 121.76 126.65 1a50 s ALA 208 Ca 0.86 0.41 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1a50 s ALA 208 Cb -1.17 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 18.90 1a50 s ALA 208 CO 0.56 0.13 -0.19 -0.51 0.00 0.00 0.00 175.76 175.75 1a50 s LEU 209 N -0.52 2.07 0.09 0.00 1.02 0.26 -0.42 118.68 121.16 1a50 s LEU 209 Ca 0.40 -0.62 -0.24 0.00 0.02 0.00 0.00 54.13 53.69 1a50 s LEU 209 Cb -0.23 -1.43 -0.06 0.00 0.02 0.00 0.00 46.19 44.49 1a50 s LEU 209 CO 0.27 0.01 0.72 -1.58 0.02 0.00 0.00 176.35 175.78 1a50 s GLN 210 N 1.24 4.46 0.05 1.70 0.74 -0.77 -0.15 119.66 126.92 1a50 s GLN 210 Ca 0.03 1.01 -0.01 0.00 0.05 0.00 0.00 55.36 56.44 1a50 s GLN 210 Cb -0.13 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1a50 s GLN 210 CO -0.11 0.45 -0.02 0.20 -0.55 0.00 0.00 175.29 175.25 1a50 s GLY 211 N -0.60 0.42 0.00 2.59 0.00 0.36 -0.21 107.32 109.87 1a50 s GLY 211 Ca 0.35 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1a50 s GLY 211 CO 0.23 -1.19 0.00 0.69 0.00 0.00 0.00 173.10 172.83 1a50 n PHE 212 N 0.35 0.00 -0.31 1.90 3.01 -1.26 -2.09 117.46 119.07 1a50 n PHE 212 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1a50 n PHE 212 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1a50 n PHE 212 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a50 n GLY 213 N 2.84 1.98 3.57 1.37 0.00 -1.22 -4.66 105.19 109.07 1a50 n GLY 213 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a50 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a50 s ILE 214 N -3.16 3.39 0.00 -0.61 -1.09 -1.26 -4.71 121.20 113.76 1a50 s ILE 214 Ca 0.00 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 1a50 s ILE 214 Cb 0.00 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1a50 s ILE 214 CO 0.00 -0.64 0.00 -1.54 -1.23 0.00 0.00 174.94 171.53 1a50 n SER 215 N 11.86 0.64 -4.37 3.58 3.41 -1.26 -4.59 113.62 122.88 1a50 n SER 215 Ca 0.22 -0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.34 1a50 n SER 215 Cb 0.50 0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 64.81 1a50 n SER 215 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a50 s SER 216 N -0.64 3.36 0.41 4.04 1.04 -1.26 -5.03 113.70 115.62 1a50 s SER 216 Ca 0.00 -0.48 0.20 0.00 0.48 0.00 0.00 55.95 56.15 1a50 s SER 216 Cb 0.00 -0.43 1.14 0.00 0.10 0.00 0.00 66.02 66.83 1a50 s SER 216 CO 0.00 0.29 1.76 -0.65 0.98 0.00 0.00 173.24 175.62 1a50 h PRO 217 N 5.01 0.35 0.00 4.02 0.11 -1.93 0.22 132.00 139.78 1a50 h PRO 217 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1a50 h PRO 217 Cb 1.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1a50 h PRO 217 CO 0.46 0.23 -0.24 1.05 -0.21 0.00 0.00 178.00 179.29 1a50 h GLU 218 N 0.36 0.00 -0.23 1.05 4.11 -1.94 -2.59 114.58 115.33 1a50 h GLU 218 Ca 0.60 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.92 1a50 h GLU 218 Cb 1.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1a50 h GLU 218 CO -0.29 0.24 -0.34 1.96 0.07 0.00 0.00 179.01 180.66 1a50 h GLN 219 N 0.00 0.49 -0.24 1.06 4.20 -0.97 -1.08 115.11 118.57 1a50 h GLN 219 Ca -0.00 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1a50 h GLN 219 Cb 0.67 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1a50 h GLN 219 CO 0.03 0.77 -0.09 0.28 -0.67 0.00 0.00 178.83 179.15 1a50 h VAL 220 N 0.42 1.30 -0.45 -0.54 2.07 -1.45 -1.49 116.25 116.11 1a50 h VAL 220 Ca 0.05 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1a50 h VAL 220 Cb 0.79 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1a50 h VAL 220 CO 0.06 0.35 0.26 0.28 0.02 0.00 0.00 177.57 178.54 1a50 h SER 221 N 0.21 0.41 -0.35 0.57 0.02 -1.33 -1.89 113.55 111.18 1a50 h SER 221 Ca 0.06 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1a50 h SER 221 Cb 0.58 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1a50 h SER 221 CO 0.03 0.29 -0.02 0.00 -1.14 0.00 0.00 176.83 175.99 1a50 h ALA 222 N 1.20 1.14 -0.07 3.77 0.00 -1.14 -0.86 119.26 123.30 1a50 h ALA 222 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1a50 h ALA 222 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a50 h ALA 222 CO -0.09 0.55 0.02 0.00 0.00 0.00 0.00 179.25 179.73 1a50 h ALA 223 N 1.30 0.10 -0.77 0.00 0.00 -0.82 1.00 119.26 120.06 1a50 h ALA 223 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a50 h ALA 223 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1a50 h ALA 223 CO 0.02 -0.29 0.34 0.28 0.00 0.00 0.00 179.25 179.60 1a50 h VAL 224 N -0.08 1.25 -0.40 0.00 2.07 -1.27 -1.67 116.25 116.15 1a50 h VAL 224 Ca 0.02 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1a50 h VAL 224 Cb 0.22 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1a50 h VAL 224 CO -0.00 0.31 0.08 0.03 0.02 0.00 0.00 177.57 178.01 1a50 h ARG 225 N 1.10 0.60 0.00 1.57 3.08 -0.88 -1.99 114.38 117.85 1a50 h ARG 225 Ca 0.26 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1a50 h ARG 225 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1a50 h ARG 225 CO -0.03 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 1a50 h ALA 226 N 1.50 1.00 0.00 0.04 0.00 -0.27 -3.46 119.26 118.08 1a50 h ALA 226 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a50 h ALA 226 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a50 h ALA 226 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1a50 n GLY 227 N 0.06 1.06 3.81 0.00 0.00 -0.75 -4.85 105.19 104.53 1a50 n GLY 227 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1a50 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a50 s ALA 228 N -2.00 3.17 -0.76 4.61 0.00 -0.68 -4.86 121.76 121.24 1a50 s ALA 228 Ca 0.00 0.34 0.26 0.00 0.00 0.00 0.00 51.96 52.56 1a50 s ALA 228 Cb 0.00 -3.06 0.92 0.00 0.00 0.00 0.00 23.12 20.98 1a50 s ALA 228 CO 0.00 0.20 1.78 0.00 0.00 0.00 0.00 175.76 177.73 1a50 n ALA 229 N -0.16 2.14 0.00 0.00 0.00 0.44 -3.99 120.51 118.94 1a50 n ALA 229 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1a50 n ALA 229 Cb 0.53 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1a50 n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a50 n GLY 230 N 1.03 -1.37 3.04 0.00 0.00 -1.20 0.13 105.19 106.82 1a50 n GLY 230 Ca 0.05 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1a50 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a50 s ALA 231 N -1.21 0.46 -0.08 4.61 0.00 -0.23 -1.85 121.76 123.46 1a50 s ALA 231 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1a50 s ALA 231 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1a50 s ALA 231 CO 0.00 -0.04 -0.08 0.42 0.00 0.00 0.00 175.76 176.06 1a50 s ILE 232 N -1.30 3.63 -0.07 0.00 1.01 0.71 -0.85 121.20 124.32 1a50 s ILE 232 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1a50 s ILE 232 Cb -0.09 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1a50 s ILE 232 CO 0.00 0.58 -0.02 -0.55 0.00 0.00 0.00 174.94 174.95 1a50 s SER 233 N -0.54 1.48 0.02 3.58 0.15 -0.64 -4.25 113.70 113.50 1a50 s SER 233 Ca 0.08 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1a50 s SER 233 Cb -0.12 -0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1a50 s SER 233 CO 0.02 -0.15 -0.01 0.61 1.20 0.00 0.00 173.24 174.91 1a50 n GLY 234 N 4.84 0.00 0.37 9.45 0.00 -1.26 -1.27 105.19 117.32 1a50 n GLY 234 Ca -0.12 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1a50 n GLY 234 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a50 h SER 235 N -0.03 0.68 -0.33 1.61 0.02 -1.92 0.15 113.55 113.73 1a50 h SER 235 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1a50 h SER 235 Cb 0.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1a50 h SER 235 CO 0.00 0.29 0.12 0.00 -1.14 0.00 0.00 176.83 176.10 1a50 h ALA 236 N 1.61 1.46 0.04 3.77 0.00 -1.87 0.16 119.26 124.42 1a50 h ALA 236 Ca 0.51 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1a50 h ALA 236 Cb 0.87 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a50 h ALA 236 CO -0.27 0.40 -0.27 0.82 0.00 0.00 0.00 179.25 179.93 1a50 h ILE 237 N 0.57 1.66 -0.53 0.00 1.08 -1.13 -3.30 117.51 115.87 1a50 h ILE 237 Ca 0.14 -2.29 0.01 0.00 -0.39 0.00 0.00 64.86 62.33 1a50 h ILE 237 Cb 0.19 3.19 -0.03 0.00 -3.07 0.00 0.00 36.82 37.10 1a50 h ILE 237 CO -0.01 0.62 0.35 0.58 -0.69 0.00 0.00 178.15 179.00 1a50 h VAL 238 N -0.72 1.12 -0.56 1.67 2.07 -0.66 -1.84 116.25 117.34 1a50 h VAL 238 Ca -0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1a50 h VAL 238 Cb 1.16 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1a50 h VAL 238 CO 0.05 0.13 0.36 0.50 0.02 0.00 0.00 177.57 178.63 1a50 h LYS 239 N 0.70 0.74 -0.16 1.57 3.64 -0.79 -0.57 116.57 121.70 1a50 h LYS 239 Ca 0.20 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1a50 h LYS 239 Cb -0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1a50 h LYS 239 CO -0.04 0.49 -0.27 0.82 -2.27 0.00 0.00 179.45 178.18 1a50 h ILE 240 N 0.76 1.25 0.18 2.00 2.04 -1.41 -0.87 117.51 121.46 1a50 h ILE 240 Ca 0.20 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1a50 h ILE 240 Cb -0.07 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1a50 h ILE 240 CO -0.04 0.37 -0.09 0.40 0.00 0.00 0.00 178.15 178.79 1a50 h ILE 241 N 0.27 0.92 -0.57 -0.67 2.04 -1.04 -2.84 117.51 115.60 1a50 h ILE 241 Ca 0.04 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1a50 h ILE 241 Cb 0.62 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1a50 h ILE 241 CO 0.04 0.19 0.24 1.05 0.00 0.00 0.00 178.15 179.67 1a50 h GLU 242 N -0.70 0.82 0.00 2.37 4.11 -1.16 -1.89 114.58 118.13 1a50 h GLU 242 Ca -0.02 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1a50 h GLU 242 Cb 0.49 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1a50 h GLU 242 CO 0.04 0.67 0.00 0.36 0.07 0.00 0.00 179.01 180.15 1a50 n LYS 243 N -4.34 0.21 -0.09 1.06 2.85 -0.34 -3.10 118.16 114.40 1a50 n LYS 243 Ca 0.05 0.40 0.10 0.00 -1.05 0.00 0.00 58.31 57.80 1a50 n LYS 243 Cb 0.15 -1.87 0.14 0.00 -0.65 0.00 0.00 35.03 32.80 1a50 n LYS 243 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a50 n ASN 244 N -2.26 2.27 -0.27 -5.58 3.02 -0.77 -4.83 115.26 106.85 1a50 n ASN 244 Ca 0.03 -3.07 0.05 0.00 -0.03 0.00 0.00 54.58 51.56 1a50 n ASN 244 Cb 0.26 -0.42 0.15 0.00 -0.61 0.00 0.00 39.78 39.16 1a50 n ASN 244 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1a50 h LEU 245 N 0.02 -0.46 -0.08 3.41 4.07 -1.34 0.83 115.31 121.76 1a50 h LEU 245 Ca -0.00 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1a50 h LEU 245 Cb 1.01 0.39 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1a50 h LEU 245 CO 0.00 -0.21 0.00 0.00 -1.08 0.00 0.00 178.44 177.15 1a50 n ALA 246 N -3.05 1.57 -3.47 1.53 0.00 -1.26 -4.34 120.51 111.49 1a50 n ALA 246 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 1a50 n ALA 246 Cb 0.48 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 1a50 n ALA 246 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a50 s SER 247 N -3.13 2.99 0.22 0.00 1.04 0.29 -5.01 113.70 110.10 1a50 s SER 247 Ca 0.06 -1.92 -0.08 0.00 0.48 0.00 0.00 55.95 54.49 1a50 s SER 247 Cb 0.08 -0.32 0.35 0.00 0.10 0.00 0.00 66.02 66.23 1a50 s SER 247 CO 0.24 -0.34 1.72 -0.65 0.98 0.00 0.00 173.24 175.19 1a50 h PRO 248 N 7.36 0.34 0.01 4.02 0.11 -1.76 -1.85 132.00 140.23 1a50 h PRO 248 Ca -0.00 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.11 1a50 h PRO 248 Cb 0.99 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 1a50 h PRO 248 CO 0.30 0.23 -0.21 -0.22 -0.21 0.00 0.00 178.00 177.88 1a50 h LYS 249 N 0.35 -0.33 -0.33 1.05 3.64 -1.95 -1.53 116.57 117.47 1a50 h LYS 249 Ca 0.35 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1a50 h LYS 249 Cb 0.51 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1a50 h LYS 249 CO -0.39 -0.22 0.08 1.96 -2.27 0.00 0.00 179.45 178.61 1a50 h GLN 250 N -0.35 0.49 -0.03 1.90 4.20 -1.84 -1.93 115.11 117.56 1a50 h GLN 250 Ca 0.06 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1a50 h GLN 250 Cb 0.42 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a50 h GLN 250 CO -0.19 0.46 -0.02 1.98 -0.67 0.00 0.00 178.83 180.39 1a50 h MET 251 N 0.48 -0.02 -0.54 1.46 4.05 -0.54 0.59 114.93 120.41 1a50 h MET 251 Ca 0.11 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1a50 h MET 251 Cb 0.20 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1a50 h MET 251 CO -0.00 -0.01 0.06 -0.07 0.23 0.00 0.00 176.91 177.12 1a50 h LEU 252 N -0.02 0.88 0.19 3.39 3.38 -1.04 -0.78 115.31 121.32 1a50 h LEU 252 Ca 0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a50 h LEU 252 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1a50 h LEU 252 CO -0.04 0.94 -0.14 0.00 0.09 0.00 0.00 178.44 179.29 1a50 h ALA 253 N 0.98 -0.32 -0.24 1.53 0.00 -1.14 0.89 119.26 120.96 1a50 h ALA 253 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1a50 h ALA 253 Cb 0.45 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1a50 h ALA 253 CO 0.02 -0.69 -0.01 0.93 0.00 0.00 0.00 179.25 179.49 1a50 h GLU 254 N -0.34 0.35 -0.38 0.00 5.08 -0.83 -1.69 114.58 116.77 1a50 h GLU 254 Ca -0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1a50 h GLU 254 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1a50 h GLU 254 CO -0.01 0.39 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.22 1a50 h LEU 255 N 0.34 0.75 0.26 1.33 3.38 -0.53 -1.38 115.31 119.47 1a50 h LEU 255 Ca 0.08 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1a50 h LEU 255 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a50 h LEU 255 CO 0.01 0.95 -0.19 0.03 0.09 0.00 0.00 178.44 179.32 1a50 h ARG 256 N 0.54 -0.44 -0.39 1.13 3.08 -0.28 -1.47 114.38 116.55 1a50 h ARG 256 Ca 0.09 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.24 1a50 h ARG 256 Cb 0.63 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1a50 h ARG 256 CO 0.04 -0.29 0.03 0.77 -1.07 0.00 0.00 179.97 179.44 1a50 h SER 257 N -0.46 -0.10 -0.21 7.04 0.02 -1.24 -0.21 113.55 118.39 1a50 h SER 257 Ca -0.02 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1a50 h SER 257 Cb 0.40 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1a50 h SER 257 CO -0.00 -0.02 0.07 0.15 -1.14 0.00 0.00 176.83 175.89 1a50 h PHE 258 N 0.14 0.34 -0.40 3.45 3.57 -1.12 -2.39 116.94 120.53 1a50 h PHE 258 Ca 0.19 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1a50 h PHE 258 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1a50 h PHE 258 CO -0.24 0.41 0.21 0.28 -2.23 0.00 0.00 178.31 176.74 1a50 h VAL 259 N 0.17 1.16 -0.63 1.41 2.07 -0.97 -0.94 116.25 118.53 1a50 h VAL 259 Ca 0.07 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1a50 h VAL 259 Cb 0.23 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1a50 h VAL 259 CO -0.00 0.17 0.23 0.77 0.02 0.00 0.00 177.57 178.76 1a50 h SER 260 N 0.51 0.86 -0.53 0.57 4.64 -1.02 0.10 113.55 118.68 1a50 h SER 260 Ca 0.14 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1a50 h SER 260 Cb 0.09 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1a50 h SER 260 CO -0.02 0.78 -0.05 0.00 -0.87 0.00 0.00 176.83 176.67 1a50 h ALA 261 N 1.34 0.87 -0.27 5.18 0.00 -1.15 0.38 119.26 125.61 1a50 h ALA 261 Ca 0.21 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1a50 h ALA 261 Cb 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a50 h ALA 261 CO -0.02 0.65 -0.53 0.52 0.00 0.00 0.00 179.25 179.87 1a50 h MET 262 N 0.90 0.80 -0.16 0.00 2.86 -0.51 -2.77 114.93 116.05 1a50 h MET 262 Ca 0.15 -0.50 -0.19 0.00 -2.06 0.00 0.00 59.70 57.11 1a50 h MET 262 Cb 0.59 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1a50 h MET 262 CO 0.04 1.13 -0.67 -0.22 1.06 0.00 0.00 176.91 178.25 1a50 h LYS 263 N 0.62 0.62 -0.78 1.72 3.11 -0.70 -2.93 116.57 118.23 1a50 h LYS 263 Ca 0.02 -0.46 0.11 0.00 -2.81 0.00 0.00 60.65 57.51 1a50 h LYS 263 Cb 1.12 0.08 -0.08 0.00 -1.00 0.00 0.00 32.23 32.36 1a50 h LYS 263 CO 0.12 1.08 0.40 0.00 -2.81 0.00 0.00 179.45 178.24 1a50 h ALA 264 N 0.80 1.11 0.00 5.00 0.00 -0.89 0.59 119.26 125.87 1a50 h ALA 264 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a50 h ALA 264 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a50 h ALA 264 CO 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1a50 n ALA 265 N -2.41 1.40 1.36 0.00 0.00 -1.05 -2.18 120.51 117.63 1a50 n ALA 265 Ca 0.13 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1a50 n ALA 265 Cb 0.32 -1.33 0.72 0.00 0.00 0.00 0.00 19.45 19.16 1a50 n ALA 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a50 n SER 266 N -2.15 0.05 -0.73 0.00 3.41 0.20 -3.73 113.62 110.67 1a50 n SER 266 Ca 0.01 -0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1a50 n SER 266 Cb 0.14 -0.29 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1a50 n SER 266 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42