#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5b n GLU 2 N 0.00 -0.33 -0.11 0.03 4.07 -1.26 -1.88 120.64 121.16 1a5b n GLU 2 Ca 0.00 1.22 0.18 0.00 -0.06 0.00 0.00 57.16 58.51 1a5b n GLU 2 Cb 0.00 -1.80 0.59 0.00 -0.06 0.00 0.00 31.44 30.17 1a5b n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a5b h ARG 3 N 0.00 0.23 -0.23 5.31 3.08 -1.97 -2.07 114.38 118.73 1a5b h ARG 3 Ca 0.15 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1a5b h ARG 3 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1a5b h ARG 3 CO -0.77 0.15 -0.15 1.88 -1.07 0.00 0.00 179.97 180.02 1a5b h TYR 4 N 0.23 0.59 -0.03 3.04 0.05 -1.73 -1.26 116.97 117.87 1a5b h TYR 4 Ca 0.34 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.98 1a5b h TYR 4 Cb 0.99 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 1a5b h TYR 4 CO -0.00 0.80 -0.10 0.93 -1.05 0.00 0.00 178.16 178.74 1a5b h GLU 5 N 0.21 -0.16 -0.55 4.88 5.08 -1.43 0.32 114.58 122.94 1a5b h GLU 5 Ca 0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1a5b h GLU 5 Cb 0.67 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1a5b h GLU 5 CO 0.04 -0.10 0.27 -0.91 -1.00 0.00 0.00 179.01 177.31 1a5b h ASN 6 N -0.16 0.39 0.24 1.42 4.21 -1.40 -1.07 115.58 119.20 1a5b h ASN 6 Ca 0.05 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1a5b h ASN 6 Cb 0.23 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1a5b h ASN 6 CO -0.13 0.26 -0.12 0.25 -1.29 0.00 0.00 177.43 176.41 1a5b h LEU 7 N 0.52 -0.27 -1.76 1.61 5.85 -0.71 -2.27 115.31 118.28 1a5b h LEU 7 Ca 0.24 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1a5b h LEU 7 Cb 0.16 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1a5b h LEU 7 CO -0.18 0.02 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.68 1a5b h PHE 8 N -0.58 0.14 -0.09 1.25 0.04 -0.84 -0.13 116.94 116.72 1a5b h PHE 8 Ca -0.03 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1a5b h PHE 8 Cb 0.42 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1a5b h PHE 8 CO 0.01 0.16 -0.03 0.00 -0.60 0.00 0.00 178.31 177.84 1a5b h ALA 9 N 1.86 0.13 -0.25 2.45 0.00 -1.14 -0.83 119.26 121.47 1a5b h ALA 9 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1a5b h ALA 9 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a5b h ALA 9 CO 0.00 -0.12 0.13 1.96 0.00 0.00 0.00 179.25 181.22 1a5b h GLN 10 N -0.16 0.35 -0.74 0.00 4.20 -0.92 -1.73 115.11 116.10 1a5b h GLN 10 Ca 0.02 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1a5b h GLN 10 Cb 0.47 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1a5b h GLN 10 CO 0.01 0.32 0.49 -0.07 -0.67 0.00 0.00 178.83 178.91 1a5b h LEU 11 N 0.28 0.79 -0.29 1.46 3.38 -1.03 -1.85 115.31 118.05 1a5b h LEU 11 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1a5b h LEU 11 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1a5b h LEU 11 CO -0.01 0.55 0.16 -1.13 0.09 0.00 0.00 178.44 178.10 1a5b h ASN 12 N 0.93 0.37 0.18 -0.43 -1.24 -0.55 0.12 115.58 114.95 1a5b h ASN 12 Ca 0.29 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1a5b h ASN 12 Cb 0.02 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1a5b h ASN 12 CO -0.08 0.36 -0.07 0.44 -1.29 0.00 0.00 177.43 176.79 1a5b h ASP 13 N 0.35 0.00 -0.25 1.15 3.32 -0.55 -0.55 116.42 119.89 1a5b h ASP 13 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1a5b h ASP 13 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1a5b h ASP 13 CO -0.02 0.07 0.00 0.54 -1.72 0.00 0.00 179.24 178.11 1a5b n ARG 14 N -3.79 2.23 -3.20 3.56 1.74 -0.70 -4.92 116.66 111.58 1a5b n ARG 14 Ca -0.02 -1.84 -0.22 0.00 -0.77 0.00 0.00 57.85 55.00 1a5b n ARG 14 Cb 0.16 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1a5b n ARG 14 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a5b n ARG 15 N 1.09 -3.46 -4.31 5.56 1.74 -0.21 -4.38 116.66 112.69 1a5b n ARG 15 Ca 0.18 0.54 -0.31 0.00 -0.77 0.00 0.00 57.85 57.49 1a5b n ARG 15 Cb 0.52 -5.26 -0.10 0.00 -1.02 0.00 0.00 32.46 26.61 1a5b n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1a5b s GLU 16 N -5.84 2.49 0.29 5.56 2.12 0.27 -4.07 118.70 119.51 1a5b s GLU 16 Ca 0.34 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1a5b s GLU 16 Cb -0.17 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 1a5b s GLU 16 CO 0.41 0.57 0.46 0.20 -0.54 0.00 0.00 175.26 176.37 1a5b s GLY 17 N -1.81 1.40 -0.01 -1.50 0.00 0.11 -4.35 107.32 101.17 1a5b s GLY 17 Ca 0.20 -0.98 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1a5b s GLY 17 CO 0.12 -0.94 0.43 0.00 0.00 0.00 0.00 173.10 172.71 1a5b s ALA 18 N -2.13 3.65 -0.20 3.20 0.00 0.49 -4.64 121.76 122.14 1a5b s ALA 18 Ca 0.38 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1a5b s ALA 18 Cb -0.10 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1a5b s ALA 18 CO 0.32 0.40 -0.18 0.12 0.00 0.00 0.00 175.76 176.43 1a5b s PHE 19 N -0.80 2.89 -0.26 0.00 5.36 -1.26 -0.34 117.98 123.58 1a5b s PHE 19 Ca 0.24 -1.79 0.01 0.00 -0.96 0.00 0.00 56.93 54.43 1a5b s PHE 19 Cb -0.17 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.63 1a5b s PHE 19 CO 0.13 -0.82 -0.09 0.08 -1.46 0.00 0.00 175.22 173.06 1a5b s VAL 20 N 1.25 2.46 0.20 3.12 1.01 -0.12 -1.45 120.40 126.86 1a5b s VAL 20 Ca 0.02 -1.40 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 1a5b s VAL 20 Cb -0.15 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 1a5b s VAL 20 CO -0.11 0.05 0.63 -2.16 0.00 0.00 0.00 175.10 173.51 1a5b s PRO 21 N 1.19 4.04 -0.06 2.72 0.04 -1.25 -1.30 135.00 140.38 1a5b s PRO 21 Ca -0.05 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1a5b s PRO 21 Cb -0.19 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1a5b s PRO 21 CO -0.05 0.39 0.01 0.12 0.04 0.00 0.00 177.00 177.51 1a5b s PHE 22 N -1.59 3.15 0.02 0.56 5.36 0.51 -1.97 117.98 124.02 1a5b s PHE 22 Ca 0.43 0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.40 1a5b s PHE 22 Cb -0.14 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.81 1a5b s PHE 22 CO 0.20 0.47 0.34 0.54 -1.46 0.00 0.00 175.22 175.31 1a5b s VAL 23 N -0.96 0.07 -0.15 3.12 0.11 -0.73 -4.50 120.40 117.35 1a5b s VAL 23 Ca 0.16 -0.54 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 1a5b s VAL 23 Cb -0.11 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1a5b s VAL 23 CO 0.05 -0.30 0.42 -0.89 -3.33 0.00 0.00 175.10 171.06 1a5b s THR 24 N -2.11 5.21 0.19 5.04 2.01 -1.26 -1.68 115.64 123.04 1a5b s THR 24 Ca -0.08 0.81 -0.32 0.00 0.31 0.00 0.00 61.69 62.41 1a5b s THR 24 Cb -0.02 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1a5b s THR 24 CO -0.00 0.31 1.71 -0.76 -0.69 0.00 0.00 174.62 175.19 1a5b s LEU 25 N 0.81 4.37 0.00 4.42 2.01 0.86 -2.45 118.68 128.71 1a5b s LEU 25 Ca 0.22 2.82 0.00 0.00 0.01 0.00 0.00 54.13 57.18 1a5b s LEU 25 Cb -0.15 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.46 1a5b s LEU 25 CO 0.08 -0.95 0.00 0.61 1.01 0.00 0.00 176.35 177.10 1a5b n GLY 26 N 3.96 0.80 3.67 -3.19 0.00 -1.26 -4.56 105.19 104.60 1a5b n GLY 26 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1a5b n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a5b s ASP 27 N -2.73 6.18 0.00 1.61 2.15 -1.02 -0.32 116.67 122.54 1a5b s ASP 27 Ca 0.00 0.19 0.29 0.00 0.43 0.00 0.00 52.55 53.46 1a5b s ASP 27 Cb 0.00 -2.12 1.38 0.00 -0.30 0.00 0.00 42.92 41.87 1a5b s ASP 27 CO 0.00 0.05 1.93 -0.81 -0.17 0.00 0.00 175.17 176.18 1a5b n PRO 28 N 4.25 1.07 -3.51 4.34 -0.04 -1.26 -4.30 135.00 135.55 1a5b n PRO 28 Ca -0.14 -0.38 -0.09 0.00 -0.04 0.00 0.00 63.50 62.85 1a5b n PRO 28 Cb 0.52 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1a5b n PRO 28 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1a5b s GLY 29 N -2.19 -0.46 0.10 0.55 0.00 0.57 -4.69 107.32 101.19 1a5b s GLY 29 Ca 0.37 1.12 -0.33 0.00 0.00 0.00 0.00 44.72 45.88 1a5b s GLY 29 CO 0.40 0.44 1.59 -2.22 0.00 0.00 0.00 173.10 173.31 1a5b h ILE 30 N 2.12 0.13 -0.53 0.90 2.04 -1.92 0.54 117.51 120.79 1a5b h ILE 30 Ca -0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1a5b h ILE 30 Cb 1.23 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1a5b h ILE 30 CO 0.32 0.00 0.29 -0.33 0.00 0.00 0.00 178.15 178.42 1a5b h GLU 31 N -0.83 0.54 -0.21 2.37 3.07 -1.98 -1.34 114.58 116.21 1a5b h GLU 31 Ca -0.03 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1a5b h GLU 31 Cb 0.76 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1a5b h GLU 31 CO -0.11 0.36 -0.08 1.96 -1.40 0.00 0.00 179.01 179.73 1a5b h GLN 32 N 0.56 0.32 -0.20 2.33 7.50 -1.89 -2.75 115.11 120.98 1a5b h GLN 32 Ca 0.23 -0.07 -0.13 0.00 0.50 0.00 0.00 58.65 59.18 1a5b h GLN 32 Cb 0.10 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.58 1a5b h GLN 32 CO -0.14 0.42 -0.36 1.03 -1.50 0.00 0.00 178.83 178.28 1a5b h SER 33 N 0.31 0.67 -0.94 1.46 0.87 0.11 -1.88 113.55 114.15 1a5b h SER 33 Ca 0.07 -0.54 0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1a5b h SER 33 Cb 0.35 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1a5b h SER 33 CO 0.02 1.08 0.62 -0.07 -0.53 0.00 0.00 176.83 177.95 1a5b h LEU 34 N 0.29 1.08 -0.01 2.23 -0.00 -1.09 -0.78 115.31 117.03 1a5b h LEU 34 Ca 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1a5b h LEU 34 Cb 0.95 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1a5b h LEU 34 CO 0.08 0.78 0.00 0.11 -0.00 0.00 0.00 178.44 179.41 1a5b h LYS 35 N 1.27 0.02 -0.50 1.13 1.57 -1.42 -1.99 116.57 116.66 1a5b h LYS 35 Ca 0.35 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.21 1a5b h LYS 35 Cb -0.14 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.10 1a5b h LYS 35 CO -0.08 0.21 0.09 0.82 -0.57 0.00 0.00 179.45 179.93 1a5b h ILE 36 N -0.18 0.71 -0.55 1.86 2.04 -0.87 -1.18 117.51 119.33 1a5b h ILE 36 Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1a5b h ILE 36 Cb 0.20 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1a5b h ILE 36 CO -0.00 0.04 0.32 0.40 0.00 0.00 0.00 178.15 178.91 1a5b h ILE 37 N 0.23 1.17 -0.59 -0.67 2.04 -1.07 -0.54 117.51 118.09 1a5b h ILE 37 Ca 0.25 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1a5b h ILE 37 Cb 0.34 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1a5b h ILE 37 CO -0.33 0.18 0.15 0.44 0.00 0.00 0.00 178.15 178.59 1a5b h ASP 38 N 0.74 0.84 -0.60 1.72 3.32 -0.83 -0.84 116.42 120.77 1a5b h ASP 38 Ca 0.20 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1a5b h ASP 38 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1a5b h ASP 38 CO -0.03 0.81 0.01 0.74 -1.72 0.00 0.00 179.24 179.05 1a5b h THR 39 N 0.87 1.27 -0.05 0.35 2.02 -0.80 -0.42 112.91 116.14 1a5b h THR 39 Ca 0.19 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1a5b h THR 39 Cb 0.29 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1a5b h THR 39 CO -0.00 0.41 0.02 -0.07 0.37 0.00 0.00 175.52 176.25 1a5b h LEU 40 N 0.95 0.07 0.22 2.58 3.38 -0.68 -1.49 115.31 120.34 1a5b h LEU 40 Ca 0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1a5b h LEU 40 Cb 0.55 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1a5b h LEU 40 CO 0.03 0.22 -0.25 0.40 0.09 0.00 0.00 178.44 178.93 1a5b h ILE 41 N -0.08 0.47 0.00 1.22 2.04 -1.03 -2.12 117.51 118.01 1a5b h ILE 41 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1a5b h ILE 41 Cb 0.17 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1a5b h ILE 41 CO -0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 1a5b n ASP 42 N -5.37 0.00 0.00 1.72 9.92 -0.18 -2.47 116.55 120.17 1a5b n ASP 42 Ca -0.08 -1.41 0.07 0.00 -0.53 0.00 0.00 54.79 52.84 1a5b n ASP 42 Cb 0.28 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.63 1a5b n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5b n ALA 43 N -0.77 2.49 0.00 2.24 0.00 -0.56 -4.97 120.51 118.94 1a5b n ALA 43 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1a5b n ALA 43 Cb 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1a5b n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 44 N 1.33 -0.97 3.72 0.00 0.00 -1.03 -3.84 105.19 104.40 1a5b n GLY 44 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1a5b n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b n ALA 45 N 0.00 2.82 0.03 4.61 0.00 -0.84 -4.87 120.51 122.25 1a5b n ALA 45 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.77 1a5b n ALA 45 Cb 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 19.45 16.81 1a5b n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5b h ASP 46 N 6.68 0.00 -5.33 0.00 3.32 -1.60 -3.45 116.42 116.04 1a5b h ASP 46 Ca -0.43 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.46 1a5b h ASP 46 Cb 1.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1a5b h ASP 46 CO 0.95 0.97 -0.07 0.00 -1.72 0.00 0.00 179.24 179.37 1a5b s ALA 47 N -2.68 0.16 0.01 3.45 0.00 -1.25 -4.30 121.76 117.16 1a5b s ALA 47 Ca -0.02 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1a5b s ALA 47 Cb 0.09 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 1a5b s ALA 47 CO 0.82 -0.85 -0.05 -0.51 0.00 0.00 0.00 175.76 175.17 1a5b s LEU 48 N -3.14 2.12 -0.21 0.00 1.02 -0.92 -3.80 118.68 113.75 1a5b s LEU 48 Ca 0.25 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1a5b s LEU 48 Cb -0.02 -0.12 0.05 0.00 0.02 0.00 0.00 46.19 46.13 1a5b s LEU 48 CO 0.15 -0.10 -0.09 -0.70 0.02 0.00 0.00 176.35 175.64 1a5b s GLU 49 N -0.78 1.89 -0.08 1.70 2.12 -0.83 -1.01 118.70 121.70 1a5b s GLU 49 Ca -0.05 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.42 1a5b s GLU 49 Cb -0.05 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 1a5b s GLU 49 CO -0.00 -0.48 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.58 1a5b s LEU 50 N 1.40 2.66 0.04 2.70 1.02 0.39 -1.78 118.68 125.11 1a5b s LEU 50 Ca -0.03 -0.28 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1a5b s LEU 50 Cb -0.17 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1a5b s LEU 50 CO -0.07 0.26 -0.03 -0.83 0.02 0.00 0.00 176.35 175.69 1a5b s GLY 51 N -0.22 1.84 -0.17 -3.19 0.00 -0.68 -0.38 107.32 104.53 1a5b s GLY 51 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1a5b s GLY 51 CO 0.03 -0.97 0.08 -1.34 0.00 0.00 0.00 173.10 170.89 1a5b s VAL 52 N -1.14 4.95 -0.22 1.40 -7.23 -1.23 -0.10 120.40 116.83 1a5b s VAL 52 Ca 0.21 0.02 -0.35 0.00 -1.81 0.00 0.00 61.98 60.04 1a5b s VAL 52 Cb -0.11 -3.21 -0.12 0.00 0.56 0.00 0.00 36.38 33.49 1a5b s VAL 52 CO 0.12 0.50 1.97 -2.65 -0.31 0.00 0.00 175.10 174.73 1a5b n PRO 53 N 3.15 1.61 -4.58 4.82 -0.02 -1.26 -4.93 135.00 133.79 1a5b n PRO 53 Ca -0.17 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 1a5b n PRO 53 Cb 0.53 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 1a5b n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a5b s PHE 54 N 5.21 2.82 0.49 6.00 5.36 -1.26 -4.82 117.98 131.79 1a5b s PHE 54 Ca 1.00 -0.08 0.14 0.00 -0.96 0.00 0.00 56.93 57.03 1a5b s PHE 54 Cb -0.80 -1.61 1.17 0.00 -0.34 0.00 0.00 43.02 41.44 1a5b s PHE 54 CO 0.53 0.32 2.13 0.66 -1.46 0.00 0.00 175.22 177.40 1a5b h SER 55 N 4.76 0.11 -2.63 6.13 4.64 -1.99 -3.35 113.55 121.21 1a5b h SER 55 Ca -0.48 -0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 1a5b h SER 55 Cb 1.16 -0.03 -0.40 0.00 -0.31 0.00 0.00 62.40 62.83 1a5b h SER 55 CO 0.52 0.08 -0.82 0.47 -0.87 0.00 0.00 176.83 176.21 1a5b n ASP 56 N -4.52 0.96 -4.57 4.97 8.00 -1.26 -5.06 116.55 115.07 1a5b n ASP 56 Ca -0.02 -2.72 -0.21 0.00 0.71 0.00 0.00 54.79 52.55 1a5b n ASP 56 Cb 0.09 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.48 1a5b n ASP 56 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1a5b s PRO 57 N -0.61 2.02 0.02 -0.24 0.02 -1.26 -4.85 135.00 130.11 1a5b s PRO 57 Ca 0.30 -0.22 -0.12 0.00 0.02 0.00 0.00 61.00 60.98 1a5b s PRO 57 Cb 0.01 -4.99 -0.06 0.00 0.02 0.00 0.00 34.50 29.48 1a5b s PRO 57 CO -0.18 -4.16 1.18 -0.07 -0.33 0.00 0.00 177.00 173.43 1a5b h LEU 58 N 20.05 -0.42 -3.52 -5.54 3.38 -1.97 -3.13 115.31 124.15 1a5b h LEU 58 Ca 0.07 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1a5b h LEU 58 Cb 0.99 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1a5b h LEU 58 CO 1.12 -0.23 -0.13 0.00 0.09 0.00 0.00 178.44 179.28 1a5b n ALA 59 N -2.36 4.69 -2.84 1.53 0.00 -1.26 -4.83 120.51 115.44 1a5b n ALA 59 Ca -0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 53.44 52.49 1a5b n ALA 59 Cb 0.16 -1.62 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 1a5b n ALA 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a5b s ASN 60 N 2.04 0.96 0.06 0.00 0.02 -1.19 -5.12 114.94 111.71 1a5b s ASN 60 Ca 0.26 -0.15 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 1a5b s ASN 60 Cb 0.13 -0.17 0.00 0.00 0.02 0.00 0.00 41.25 41.23 1a5b s ASN 60 CO 0.00 0.08 0.00 0.61 0.02 0.00 0.00 177.10 177.81 1a5b n GLY 61 N 3.06 1.17 0.00 0.66 0.00 -1.26 -4.83 105.19 103.99 1a5b n GLY 61 Ca -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1a5b n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a5b n PRO 62 N -0.23 0.00 -0.21 1.61 -0.02 -1.26 -1.84 135.00 133.05 1a5b n PRO 62 Ca 0.00 0.71 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1a5b n PRO 62 Cb 0.00 -1.46 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1a5b n PRO 62 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1a5b h THR 63 N 0.00 0.24 -0.37 3.45 2.02 -1.98 -0.69 112.91 115.58 1a5b h THR 63 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1a5b h THR 63 Cb 0.00 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1a5b h THR 63 CO 0.00 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.25 1a5b h ILE 64 N -0.10 1.27 -0.61 3.11 1.08 -1.96 -2.59 117.51 117.71 1a5b h ILE 64 Ca 0.27 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1a5b h ILE 64 Cb 0.53 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1a5b h ILE 64 CO -0.68 0.36 0.38 1.56 -0.69 0.00 0.00 178.15 179.08 1a5b h GLN 65 N 0.49 0.82 -0.28 2.37 4.20 -0.73 -1.32 115.11 120.66 1a5b h GLN 65 Ca 0.10 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1a5b h GLN 65 Cb 0.53 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a5b h GLN 65 CO 0.03 0.57 -0.22 -0.91 -0.67 0.00 0.00 178.83 177.62 1a5b h ASN 66 N 0.84 0.51 -0.60 1.46 2.35 -0.99 -2.28 115.58 116.88 1a5b h ASN 66 Ca 0.22 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1a5b h ASN 66 Cb -0.05 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1a5b h ASN 66 CO -0.04 0.73 0.38 0.00 -1.65 0.00 0.00 177.43 176.85 1a5b h ALA 67 N 1.31 0.76 -0.74 -0.83 0.00 -0.86 -0.94 119.26 117.95 1a5b h ALA 67 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a5b h ALA 67 Cb 0.63 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1a5b h ALA 67 CO 0.05 0.21 0.39 -0.91 0.00 0.00 0.00 179.25 178.98 1a5b h ASN 68 N 0.81 0.95 -0.47 0.00 2.35 -1.10 -0.69 115.58 117.42 1a5b h ASN 68 Ca 0.22 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1a5b h ASN 68 Cb -0.07 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 1a5b h ASN 68 CO -0.04 0.79 0.22 -0.07 -1.65 0.00 0.00 177.43 176.67 1a5b h LEU 69 N 1.03 0.30 -0.79 1.61 3.38 -0.83 0.22 115.31 120.24 1a5b h LEU 69 Ca 0.26 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1a5b h LEU 69 Cb 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1a5b h LEU 69 CO -0.04 0.21 0.35 0.03 0.09 0.00 0.00 178.44 179.09 1a5b h ARG 70 N 0.44 1.16 -0.42 1.13 3.08 -0.53 0.88 114.38 120.11 1a5b h ARG 70 Ca 0.21 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1a5b h ARG 70 Cb 0.14 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1a5b h ARG 70 CO -0.16 0.92 0.03 0.00 -1.07 0.00 0.00 179.97 179.69 1a5b h ALA 71 N 1.18 0.57 -0.50 0.04 0.00 -0.35 -2.42 119.26 117.78 1a5b h ALA 71 Ca 0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1a5b h ALA 71 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1a5b h ALA 71 CO -0.03 0.33 -0.02 0.74 0.00 0.00 0.00 179.25 180.27 1a5b h PHE 72 N 0.57 0.92 0.00 0.00 0.04 -0.31 -1.52 116.94 116.64 1a5b h PHE 72 Ca 0.12 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1a5b h PHE 72 Cb 0.44 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1a5b h PHE 72 CO 0.03 0.85 -0.08 0.00 -0.60 0.00 0.00 178.31 178.51 1a5b h ALA 73 N 1.18 1.71 -0.02 2.45 0.00 -0.63 0.14 119.26 124.09 1a5b h ALA 73 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a5b h ALA 73 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a5b h ALA 73 CO 0.03 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1a5b n ALA 74 N -2.45 2.60 -1.83 0.00 0.00 -0.66 -4.93 120.51 113.24 1a5b n ALA 74 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1a5b n ALA 74 Cb 0.16 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1a5b n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 75 N 1.12 0.39 3.70 0.00 0.00 0.49 -4.93 105.19 105.97 1a5b n GLY 75 Ca 0.20 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1a5b n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5b s VAL 76 N -2.39 3.27 0.30 1.61 1.01 -0.68 -5.00 120.40 118.52 1a5b s VAL 76 Ca 0.00 0.83 0.10 0.00 0.00 0.00 0.00 61.98 62.91 1a5b s VAL 76 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1a5b s VAL 76 CO 0.00 0.03 -0.05 0.42 0.00 0.00 0.00 175.10 175.50 1a5b s THR 77 N 1.75 2.80 0.39 3.92 -4.23 -1.26 -4.71 115.64 114.29 1a5b s THR 77 Ca 0.67 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 59.17 1a5b s THR 77 Cb -0.37 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.08 1a5b s THR 77 CO 0.30 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.44 1a5b h PRO 78 N 1.95 0.61 -0.54 3.99 0.11 -1.96 -0.82 132.00 135.35 1a5b h PRO 78 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1a5b h PRO 78 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1a5b h PRO 78 CO 0.63 0.40 0.35 0.00 -0.21 0.00 0.00 178.00 179.17 1a5b h ALA 79 N 1.68 0.68 0.00 -0.75 0.00 -2.00 -1.41 119.26 117.46 1a5b h ALA 79 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1a5b h ALA 79 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a5b h ALA 79 CO -0.06 0.13 -0.45 1.96 0.00 0.00 0.00 179.25 180.84 1a5b h GLN 80 N 0.72 0.00 -0.26 0.00 4.20 -1.64 -2.84 115.11 115.30 1a5b h GLN 80 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1a5b h GLN 80 Cb -0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1a5b h GLN 80 CO -0.04 0.45 -0.02 0.00 -0.67 0.00 0.00 178.83 178.54 1a5b h PHE 82 N 0.24 0.00 -0.07 0.00 0.04 -1.16 0.25 116.94 116.24 1a5b h PHE 82 Ca 0.07 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.61 1a5b h PHE 82 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 1a5b h PHE 82 CO 0.04 0.12 -0.88 0.93 -0.60 0.00 0.00 178.31 177.92 1a5b h GLU 83 N 0.00 0.64 -0.30 1.51 5.08 -1.28 -2.57 114.58 117.67 1a5b h GLU 83 Ca -0.00 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1a5b h GLU 83 Cb 0.35 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1a5b h GLU 83 CO 0.02 1.21 0.04 0.52 -1.00 0.00 0.00 179.01 179.80 1a5b h MET 84 N 0.41 0.50 -0.79 2.33 2.86 -0.47 -2.75 114.93 117.02 1a5b h MET 84 Ca -0.08 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1a5b h MET 84 Cb 1.51 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 33.06 1a5b h MET 84 CO 0.17 0.61 0.52 -0.07 1.06 0.00 0.00 176.91 179.20 1a5b h LEU 85 N 0.32 0.74 -0.30 1.22 3.38 -0.99 -0.28 115.31 119.40 1a5b h LEU 85 Ca 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1a5b h LEU 85 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1a5b h LEU 85 CO 0.01 0.47 -0.07 0.00 0.09 0.00 0.00 178.44 178.94 1a5b h ALA 86 N 1.57 0.41 -0.55 1.53 0.00 -1.33 -1.52 119.26 119.38 1a5b h ALA 86 Ca 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a5b h ALA 86 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a5b h ALA 86 CO -0.12 0.24 0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1a5b h LEU 87 N 0.35 0.77 -0.42 0.00 3.38 -1.08 0.14 115.31 118.44 1a5b h LEU 87 Ca 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a5b h LEU 87 Cb 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1a5b h LEU 87 CO 0.03 0.73 0.18 0.40 0.09 0.00 0.00 178.44 179.87 1a5b h ILE 88 N 0.76 1.19 -0.38 1.22 2.04 -1.04 -2.14 117.51 119.15 1a5b h ILE 88 Ca 0.18 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1a5b h ILE 88 Cb 0.20 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1a5b h ILE 88 CO -0.02 0.21 0.00 -0.09 0.00 0.00 0.00 178.15 178.26 1a5b h ARG 89 N 0.54 0.61 0.00 2.37 9.65 -0.98 -1.01 114.38 125.55 1a5b h ARG 89 Ca 0.14 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1a5b h ARG 89 Cb 0.16 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1a5b h ARG 89 CO -0.01 0.63 -0.21 0.93 2.80 0.00 0.00 179.97 184.11 1a5b h GLU 90 N 0.58 0.00 0.00 0.20 5.08 -0.27 -3.01 114.58 117.15 1a5b h GLU 90 Ca 0.12 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.19 1a5b h GLU 90 Cb 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1a5b h GLU 90 CO 0.01 0.21 -1.75 1.63 -1.00 0.00 0.00 179.01 178.11 1a5b n LYS 91 N -3.90 0.64 -3.75 2.33 5.02 -0.85 -4.77 118.16 112.87 1a5b n LYS 91 Ca -0.02 0.27 -0.30 0.00 -2.02 0.00 0.00 58.31 56.24 1a5b n LYS 91 Cb 0.29 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1a5b n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1a5b s HIS 92 N -2.61 1.98 0.38 2.13 3.76 -0.44 -5.02 115.29 115.47 1a5b s HIS 92 Ca -0.05 -2.06 0.11 0.00 -0.15 0.00 0.00 55.06 52.91 1a5b s HIS 92 Cb 0.08 -1.88 0.75 0.00 1.11 0.00 0.00 32.58 32.64 1a5b s HIS 92 CO 0.82 -0.86 1.87 -1.00 -0.85 0.00 0.00 174.74 174.73 1a5b h PRO 93 N 7.64 0.14 0.00 8.40 0.13 -1.86 -3.37 132.00 143.09 1a5b h PRO 93 Ca -0.09 -0.04 -0.22 0.00 -0.87 0.00 0.00 66.00 64.78 1a5b h PRO 93 Cb 0.99 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 1a5b h PRO 93 CO 0.48 0.38 -2.03 0.25 -0.23 0.00 0.00 178.00 176.85 1a5b n THR 94 N -4.20 0.83 -1.69 1.56 -2.24 -1.26 -4.98 114.28 102.30 1a5b n THR 94 Ca -0.01 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 1a5b n THR 94 Cb 0.33 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 1a5b n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5b n ILE 95 N -2.47 0.41 -2.03 2.28 3.06 -1.26 -4.87 119.36 114.48 1a5b n ILE 95 Ca -0.21 -0.07 -0.41 0.00 -2.50 0.00 0.00 62.75 59.56 1a5b n ILE 95 Cb 0.88 -2.15 -0.02 0.00 0.54 0.00 0.00 39.64 38.89 1a5b n ILE 95 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1a5b s PRO 96 N 2.93 4.29 -0.17 9.51 0.02 -1.26 -4.95 135.00 145.36 1a5b s PRO 96 Ca 0.83 2.29 0.01 0.00 0.02 0.00 0.00 61.00 64.15 1a5b s PRO 96 Cb -0.48 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 30.98 1a5b s PRO 96 CO 0.38 -0.34 -0.18 0.42 -0.33 0.00 0.00 177.00 176.94 1a5b s ILE 97 N -0.54 1.93 0.09 2.83 1.01 -1.26 -2.17 121.20 123.09 1a5b s ILE 97 Ca 0.55 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1a5b s ILE 97 Cb -0.41 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1a5b s ILE 97 CO 0.49 0.51 -0.08 -0.83 0.00 0.00 0.00 174.94 175.03 1a5b s GLY 98 N 1.34 1.82 -0.06 6.18 0.00 -0.18 -0.33 107.32 116.09 1a5b s GLY 98 Ca 0.05 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.60 1a5b s GLY 98 CO -0.12 -1.17 -0.14 1.08 0.00 0.00 0.00 173.10 172.75 1a5b s LEU 99 N -2.17 2.72 -0.36 0.66 1.43 -0.30 -0.46 118.68 120.21 1a5b s LEU 99 Ca 0.22 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1a5b s LEU 99 Cb -0.11 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1a5b s LEU 99 CO 0.14 0.31 0.20 -0.22 0.23 0.00 0.00 176.35 177.01 1a5b s LEU 100 N -0.52 4.57 0.31 1.79 1.98 0.49 -0.57 118.68 126.74 1a5b s LEU 100 Ca 0.07 -0.82 0.11 0.00 -2.89 0.00 0.00 54.13 50.60 1a5b s LEU 100 Cb -0.12 -2.04 -0.06 0.00 0.66 0.00 0.00 46.19 44.64 1a5b s LEU 100 CO 0.02 -0.33 -0.13 -0.04 -1.89 0.00 0.00 176.35 173.98 1a5b s MET 101 N 1.59 1.79 -0.06 1.98 -1.94 0.80 -3.58 119.30 119.88 1a5b s MET 101 Ca 0.03 -1.84 0.04 0.00 -1.71 0.00 0.00 55.69 52.21 1a5b s MET 101 Cb -0.18 -1.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 1a5b s MET 101 CO 0.07 0.23 -0.17 0.71 -0.01 0.00 0.00 175.02 175.84 1a5b s TYR 102 N -2.55 2.63 0.34 -0.03 2.02 -1.26 -0.17 117.35 118.32 1a5b s TYR 102 Ca 0.32 -0.38 0.15 0.00 -0.37 0.00 0.00 57.07 56.78 1a5b s TYR 102 Cb -0.01 -1.65 1.13 0.00 -0.40 0.00 0.00 41.96 41.04 1a5b s TYR 102 CO 0.16 0.01 1.51 0.00 -1.57 0.00 0.00 175.55 175.66 1a5b n ALA 103 N 2.66 0.85 -0.28 3.71 0.00 -1.26 -2.09 120.51 124.11 1a5b n ALA 103 Ca -0.17 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.19 1a5b n ALA 103 Cb 0.52 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 19.12 1a5b n ALA 103 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1a5b h ASN 104 N 0.00 1.08 0.93 0.00 -1.24 -1.97 0.44 115.58 114.82 1a5b h ASN 104 Ca 0.75 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.57 1a5b h ASN 104 Cb 1.89 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.65 1a5b h ASN 104 CO -0.78 0.98 0.00 -0.07 -1.29 0.00 0.00 177.43 176.27 1a5b h LEU 105 N 1.12 0.00 0.09 0.34 3.38 -1.85 0.27 115.31 118.66 1a5b h LEU 105 Ca 0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.90 1a5b h LEU 105 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1a5b h LEU 105 CO -0.01 0.00 -1.71 0.58 0.09 0.00 0.00 178.44 177.38 1a5b h VAL 106 N 0.00 0.76 0.01 1.22 2.07 -1.46 -3.39 116.25 115.45 1a5b h VAL 106 Ca 0.00 -2.30 -0.19 0.00 0.82 0.00 0.00 66.70 65.03 1a5b h VAL 106 Cb 0.47 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1a5b h VAL 106 CO 0.00 0.70 -0.90 0.15 0.02 0.00 0.00 177.57 177.54 1a5b h PHE 107 N -0.29 0.11 0.00 1.57 3.57 -0.75 -3.25 116.94 117.91 1a5b h PHE 107 Ca -0.39 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1a5b h PHE 107 Cb 1.79 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1a5b h PHE 107 CO 0.09 0.93 0.00 -1.71 -2.23 0.00 0.00 178.31 175.39 1a5b n ASN 108 N -3.54 0.00 -2.06 0.41 5.15 0.95 -1.57 115.26 114.59 1a5b n ASN 108 Ca -0.02 0.65 -0.26 0.00 -0.60 0.00 0.00 54.58 54.35 1a5b n ASN 108 Cb 0.84 -0.32 0.10 0.00 -0.53 0.00 0.00 39.78 39.87 1a5b n ASN 108 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a5b n ASN 109 N -2.62 5.61 0.00 1.20 5.03 -1.26 -4.98 115.26 118.24 1a5b n ASN 109 Ca 0.00 -3.75 0.00 0.00 0.87 0.00 0.00 54.58 51.70 1a5b n ASN 109 Cb 0.00 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.00 1a5b n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a5b n GLY 110 N -0.95 1.54 0.31 7.41 0.00 -0.61 -4.67 105.19 108.22 1a5b n GLY 110 Ca 0.54 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1a5b n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a5b h ILE 111 N 0.00 0.44 -0.92 -0.61 2.04 -1.72 -1.53 117.51 115.21 1a5b h ILE 111 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1a5b h ILE 111 Cb 0.00 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1a5b h ILE 111 CO 0.00 0.00 0.57 -0.78 0.00 0.00 0.00 178.15 177.94 1a5b h ASP 112 N -0.67 0.87 0.16 1.72 3.58 -1.89 0.09 116.42 120.28 1a5b h ASP 112 Ca -0.05 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1a5b h ASP 112 Cb 0.56 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1a5b h ASP 112 CO 0.04 0.52 -0.20 0.00 -2.88 0.00 0.00 179.24 176.73 1a5b h ALA 113 N 1.46 1.58 -0.03 -0.78 0.00 -1.77 -0.66 119.26 119.06 1a5b h ALA 113 Ca 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1a5b h ALA 113 Cb 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a5b h ALA 113 CO -0.21 0.31 -0.00 0.35 0.00 0.00 0.00 179.25 179.70 1a5b h PHE 114 N 0.08 0.06 -0.17 0.00 3.57 0.05 -2.20 116.94 118.33 1a5b h PHE 114 Ca 0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1a5b h PHE 114 Cb 0.40 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1a5b h PHE 114 CO 0.00 0.39 -0.03 1.88 -2.23 0.00 0.00 178.31 178.32 1a5b h TYR 115 N -0.29 0.26 -0.47 0.41 0.05 -0.96 -1.04 116.97 114.92 1a5b h TYR 115 Ca 0.01 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1a5b h TYR 115 Cb 0.37 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1a5b h TYR 115 CO 0.05 0.30 0.03 0.00 -1.05 0.00 0.00 178.16 177.49 1a5b h ALA 116 N 1.72 0.63 -0.39 3.88 0.00 -1.03 -1.37 119.26 122.71 1a5b h ALA 116 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1a5b h ALA 116 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a5b h ALA 116 CO 0.01 0.41 0.03 -0.09 0.00 0.00 0.00 179.25 179.61 1a5b h ARG 117 N 0.67 0.60 0.10 0.00 9.65 -0.67 -0.27 114.38 124.45 1a5b h ARG 117 Ca 0.14 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1a5b h ARG 117 Cb 0.46 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1a5b h ARG 117 CO 0.02 0.60 -0.05 0.00 2.80 0.00 0.00 179.97 183.34 1a5b h GLU 119 N -0.34 0.83 -0.95 0.00 4.81 -0.91 -1.01 114.58 117.00 1a5b h GLU 119 Ca -0.01 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1a5b h GLU 119 Cb 0.28 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1a5b h GLU 119 CO 0.02 0.55 0.62 0.37 -0.73 0.00 0.00 179.01 179.84 1a5b h GLN 120 N 0.85 1.17 0.00 1.92 4.15 -0.92 -2.43 115.11 119.85 1a5b h GLN 120 Ca 0.31 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1a5b h GLN 120 Cb 0.10 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1a5b h GLN 120 CO -0.14 0.77 -0.29 1.33 -1.93 0.00 0.00 178.83 178.57 1a5b n VAL 121 N -4.48 0.40 -0.28 2.39 0.24 -0.79 -4.95 118.33 110.85 1a5b n VAL 121 Ca 0.13 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1a5b n VAL 121 Cb 0.09 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 1a5b n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5b n GLY 122 N 1.35 1.59 3.81 7.63 0.00 -0.63 -4.34 105.19 114.61 1a5b n GLY 122 Ca 0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1a5b n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5b s VAL 123 N -2.00 4.37 -0.17 1.61 1.01 -0.48 -4.75 120.40 119.99 1a5b s VAL 123 Ca 0.00 1.53 0.13 0.00 0.00 0.00 0.00 61.98 63.64 1a5b s VAL 123 Cb 0.00 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.45 1a5b s VAL 123 CO 0.00 -0.15 0.02 0.47 0.00 0.00 0.00 175.10 175.44 1a5b n ASP 124 N -0.21 1.10 -3.81 3.32 8.00 0.55 -4.55 116.55 120.97 1a5b n ASP 124 Ca 0.05 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 1a5b n ASP 124 Cb 0.53 0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 42.28 1a5b n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a5b s SER 125 N -5.22 -0.00 -0.03 -2.24 1.04 -0.99 -0.06 113.70 106.20 1a5b s SER 125 Ca -0.12 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1a5b s SER 125 Cb 0.05 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1a5b s SER 125 CO 0.66 -0.80 0.05 -0.69 0.98 0.00 0.00 173.24 173.43 1a5b s VAL 126 N -3.86 -0.08 -0.28 5.02 1.01 -0.25 -1.15 120.40 120.81 1a5b s VAL 126 Ca 0.06 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1a5b s VAL 126 Cb 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.32 1a5b s VAL 126 CO -0.09 0.13 0.03 -0.22 0.00 0.00 0.00 175.10 174.95 1a5b s LEU 127 N 1.61 3.61 -0.63 3.92 2.96 0.27 -2.09 118.68 128.33 1a5b s LEU 127 Ca -0.02 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 52.91 1a5b s LEU 127 Cb -0.13 -1.79 0.11 0.00 0.50 0.00 0.00 46.19 44.88 1a5b s LEU 127 CO -0.03 -0.17 0.74 -0.69 -1.32 0.00 0.00 176.35 174.88 1a5b s VAL 128 N 1.43 4.87 0.37 1.68 1.01 -1.26 -0.14 120.40 128.36 1a5b s VAL 128 Ca 0.01 -1.15 0.17 0.00 0.00 0.00 0.00 61.98 61.02 1a5b s VAL 128 Cb -0.17 -4.51 0.37 0.00 0.00 0.00 0.00 36.38 32.07 1a5b s VAL 128 CO -0.00 -1.15 1.70 0.00 0.00 0.00 0.00 175.10 175.64 1a5b h ALA 129 N 9.06 2.13 -0.87 5.51 0.00 -0.94 -2.32 119.26 131.82 1a5b h ALA 129 Ca -0.23 0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.39 1a5b h ALA 129 Cb 1.08 0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1a5b h ALA 129 CO 1.08 -0.67 0.50 -0.40 0.00 0.00 0.00 179.25 179.76 1a5b n ASP 130 N -4.85 3.84 -3.94 0.00 5.75 -1.26 -4.82 116.55 111.27 1a5b n ASP 130 Ca 0.30 -3.54 -0.31 0.00 -0.01 0.00 0.00 54.79 51.23 1a5b n ASP 130 Cb 0.99 -0.80 -0.15 0.00 -1.03 0.00 0.00 41.12 40.13 1a5b n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a5b s VAL 131 N -3.23 1.67 0.75 2.12 1.01 -0.88 -4.87 120.40 116.97 1a5b s VAL 131 Ca 0.55 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1a5b s VAL 131 Cb 0.46 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1a5b s VAL 131 CO 0.10 -0.30 1.09 -2.16 0.00 0.00 0.00 175.10 173.84 1a5b s PRO 132 N 1.28 2.52 0.58 2.72 0.04 -1.26 -4.81 135.00 136.07 1a5b s PRO 132 Ca 0.00 0.60 0.29 0.00 0.04 0.00 0.00 61.00 61.92 1a5b s PRO 132 Cb -0.19 -1.97 1.48 0.00 0.04 0.00 0.00 34.50 33.86 1a5b s PRO 132 CO -0.09 -1.30 1.92 -0.39 0.04 0.00 0.00 177.00 177.17 1a5b h VAL 133 N -0.85 0.43 0.00 -0.36 -1.51 -1.99 0.11 116.25 112.08 1a5b h VAL 133 Ca -0.46 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1a5b h VAL 133 Cb 1.25 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1a5b h VAL 133 CO 0.61 0.00 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.59 1a5b h GLU 134 N 0.00 0.00 -0.03 5.19 3.07 -2.04 -3.04 114.58 117.74 1a5b h GLU 134 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1a5b h GLU 134 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1a5b h GLU 134 CO -0.00 0.03 0.00 0.39 -1.40 0.00 0.00 179.01 178.03 1a5b n GLU 135 N -3.16 1.27 0.22 2.33 -0.58 0.34 -4.80 120.64 116.26 1a5b n GLU 135 Ca -0.00 -1.13 0.14 0.00 -0.42 0.00 0.00 57.16 55.75 1a5b n GLU 135 Cb 0.28 -1.03 0.46 0.00 -0.57 0.00 0.00 31.44 30.58 1a5b n GLU 135 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5b h SER 136 N 0.30 0.00 -0.30 1.62 4.64 -1.33 -3.41 113.55 115.08 1a5b h SER 136 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1a5b h SER 136 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1a5b h SER 136 CO 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.78 1a5b n ALA 137 N -2.01 -0.19 0.28 5.18 0.00 -1.26 -0.61 120.51 121.90 1a5b n ALA 137 Ca 0.02 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1a5b n ALA 137 Cb 0.38 0.23 0.81 0.00 0.00 0.00 0.00 19.45 20.87 1a5b n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a5b h PRO 138 N 0.00 0.00 -0.01 0.00 0.13 -2.00 -1.13 132.00 128.99 1a5b h PRO 138 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 1a5b h PRO 138 Cb 0.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.26 1a5b h PRO 138 CO -0.28 0.05 -0.35 0.74 -0.23 0.00 0.00 178.00 177.93 1a5b h PHE 139 N 0.00 0.36 -0.28 1.56 -1.00 -1.27 -2.78 116.94 113.53 1a5b h PHE 139 Ca -0.00 -0.19 -0.17 0.00 2.81 0.00 0.00 57.97 60.42 1a5b h PHE 139 Cb 0.13 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 1a5b h PHE 139 CO 0.00 0.99 -0.50 0.07 -1.61 0.00 0.00 178.31 177.26 1a5b h ARG 140 N -0.37 0.79 -0.42 1.51 0.11 -0.63 -1.07 114.38 114.29 1a5b h ARG 140 Ca -0.04 -0.47 -0.06 0.00 0.10 0.00 0.00 59.98 59.50 1a5b h ARG 140 Cb 1.09 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.19 1a5b h ARG 140 CO 0.07 1.10 0.01 1.96 0.10 0.00 0.00 179.97 183.21 1a5b h GLN 141 N 0.62 0.67 -0.13 0.08 4.20 -1.32 -0.25 115.11 118.98 1a5b h GLN 141 Ca 0.02 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.37 1a5b h GLN 141 Cb 1.09 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.79 1a5b h GLN 141 CO 0.11 0.69 -0.70 0.00 -0.67 0.00 0.00 178.83 178.26 1a5b h ALA 142 N 1.37 0.26 -0.21 3.87 0.00 -1.39 -1.82 119.26 121.35 1a5b h ALA 142 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a5b h ALA 142 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1a5b h ALA 142 CO 0.01 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.98 1a5b h ALA 143 N 0.52 0.27 0.10 0.00 0.00 -0.90 -2.43 119.26 116.81 1a5b h ALA 143 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a5b h ALA 143 Cb 1.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a5b h ALA 143 CO 0.14 -0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.01 1a5b h LEU 144 N 0.28 -0.16 -2.02 0.00 4.07 -1.05 0.31 115.31 116.74 1a5b h LEU 144 Ca 0.08 0.01 0.12 0.00 0.08 0.00 0.00 57.88 58.17 1a5b h LEU 144 Cb -0.02 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1a5b h LEU 144 CO -0.02 -0.11 0.41 0.03 -1.08 0.00 0.00 178.44 177.67 1a5b h ARG 145 N -0.16 0.00 -0.39 1.13 3.08 -1.17 0.17 114.38 117.04 1a5b h ARG 145 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a5b h ARG 145 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1a5b h ARG 145 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 1a5b n HIS 146 N -3.89 1.21 -2.86 3.04 8.25 -0.69 -4.95 115.22 115.32 1a5b n HIS 146 Ca 0.08 -0.77 -0.22 0.00 -0.26 0.00 0.00 57.72 56.55 1a5b n HIS 146 Cb 0.59 -0.32 0.02 0.00 1.12 0.00 0.00 29.99 31.41 1a5b n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5b n ASN 147 N 0.07 -6.08 -4.71 0.41 3.02 0.05 -4.62 115.26 103.40 1a5b n ASN 147 Ca 0.22 -0.22 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 1a5b n ASN 147 Cb 0.91 -4.94 -0.09 0.00 -0.61 0.00 0.00 39.78 35.05 1a5b n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a5b s ILE 148 N -3.15 4.36 -0.25 2.41 -1.09 0.10 -3.14 121.20 120.45 1a5b s ILE 148 Ca 0.23 -0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 58.05 1a5b s ILE 148 Cb -0.10 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1a5b s ILE 148 CO 0.28 0.48 0.61 0.00 -1.23 0.00 0.00 174.94 175.08 1a5b s ALA 149 N -1.02 3.61 -0.45 9.38 0.00 0.91 -3.63 121.76 130.56 1a5b s ALA 149 Ca 0.17 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1a5b s ALA 149 Cb -0.12 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1a5b s ALA 149 CO 0.07 -0.79 0.95 -1.25 0.00 0.00 0.00 175.76 174.75 1a5b s PRO 150 N 2.45 3.59 -0.04 0.00 0.04 -1.26 -1.09 135.00 138.69 1a5b s PRO 150 Ca 0.26 0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.36 1a5b s PRO 150 Cb -0.16 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1a5b s PRO 150 CO 0.09 -1.21 0.58 0.42 0.04 0.00 0.00 177.00 176.91 1a5b s ILE 151 N 3.81 5.00 0.04 0.56 -1.09 -0.89 -2.43 121.20 126.21 1a5b s ILE 151 Ca 0.39 1.20 0.09 0.00 -2.23 0.00 0.00 60.65 60.09 1a5b s ILE 151 Cb -0.10 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1a5b s ILE 151 CO 0.26 0.38 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.73 1a5b s PHE 152 N 0.12 2.26 -0.01 3.97 0.08 -1.26 -4.44 117.98 118.69 1a5b s PHE 152 Ca 0.31 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 1a5b s PHE 152 Cb -0.17 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1a5b s PHE 152 CO 0.16 0.11 0.57 0.42 -0.10 0.00 0.00 175.22 176.37 1a5b s ILE 153 N -0.79 4.95 -0.39 0.64 1.01 -1.26 -1.89 121.20 123.47 1a5b s ILE 153 Ca 0.11 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 61.88 1a5b s ILE 153 Cb -0.10 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.55 1a5b s ILE 153 CO 0.02 0.42 0.19 0.00 0.00 0.00 0.00 174.94 175.57 1a5b s PRO 155 N 1.32 2.25 0.41 0.00 0.04 -1.26 -4.54 135.00 133.22 1a5b s PRO 155 Ca 0.03 0.68 0.15 0.00 0.04 0.00 0.00 61.00 61.89 1a5b s PRO 155 Cb -0.22 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.25 1a5b s PRO 155 CO 0.00 -1.51 1.89 -1.00 0.04 0.00 0.00 177.00 176.42 1a5b h PRO 156 N -1.01 0.00 -0.56 0.56 0.13 -1.99 -2.03 132.00 127.10 1a5b h PRO 156 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1a5b h PRO 156 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1a5b h PRO 156 CO 0.59 0.29 0.00 0.27 -0.23 0.00 0.00 178.00 178.93 1a5b n ASN 157 N -4.10 2.19 -4.77 1.44 6.94 -1.26 -4.93 115.26 110.77 1a5b n ASN 157 Ca -0.02 -2.18 -0.36 0.00 -0.02 0.00 0.00 54.58 52.00 1a5b n ASN 157 Cb 0.35 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1a5b n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a5b s ALA 158 N -1.65 2.83 0.31 -2.53 0.00 -0.77 -5.06 121.76 114.89 1a5b s ALA 158 Ca 0.20 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1a5b s ALA 158 Cb 0.13 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1a5b s ALA 158 CO 0.10 -0.82 0.06 -0.40 0.00 0.00 0.00 175.76 174.70 1a5b n ASP 159 N -0.91 2.62 0.16 0.00 5.75 -1.26 -4.98 116.55 117.94 1a5b n ASP 159 Ca 0.10 -2.26 -0.14 0.00 -0.01 0.00 0.00 54.79 52.47 1a5b n ASP 159 Cb 0.49 0.15 -0.07 0.00 -1.03 0.00 0.00 41.12 40.66 1a5b n ASP 159 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1a5b h ASP 160 N 0.63 -0.85 -1.00 -1.12 3.58 -1.99 -0.60 116.42 115.08 1a5b h ASP 160 Ca -0.24 0.09 0.15 0.00 0.42 0.00 0.00 57.03 57.45 1a5b h ASP 160 Cb 0.75 0.30 -0.10 0.00 1.72 0.00 0.00 39.33 42.01 1a5b h ASP 160 CO 0.39 -0.42 0.62 0.44 -2.88 0.00 0.00 179.24 177.39 1a5b h ASP 161 N -0.59 0.86 -0.24 2.28 5.19 -1.99 0.92 116.42 122.86 1a5b h ASP 161 Ca 0.01 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 1a5b h ASP 161 Cb 0.57 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1a5b h ASP 161 CO -0.11 0.39 -0.09 0.25 -3.12 0.00 0.00 179.24 176.56 1a5b h LEU 162 N 0.89 0.49 -0.62 1.55 5.85 -1.88 -1.55 115.31 120.03 1a5b h LEU 162 Ca 0.53 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1a5b h LEU 162 Cb 0.68 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1a5b h LEU 162 CO -0.32 0.77 0.26 -0.07 -0.34 0.00 0.00 178.44 178.73 1a5b h LEU 163 N 0.20 0.29 -0.77 2.25 3.38 0.45 0.17 115.31 121.27 1a5b h LEU 163 Ca 0.06 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1a5b h LEU 163 Cb 0.57 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1a5b h LEU 163 CO 0.03 0.17 0.10 0.03 0.09 0.00 0.00 178.44 178.86 1a5b h ARG 164 N 0.46 1.03 0.04 1.13 3.08 -0.78 -1.63 114.38 117.70 1a5b h ARG 164 Ca 0.30 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1a5b h ARG 164 Cb 0.35 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1a5b h ARG 164 CO -0.28 0.95 -0.02 1.96 -1.07 0.00 0.00 179.97 181.51 1a5b h GLN 165 N 0.97 -0.05 -0.61 0.04 4.20 -0.17 -1.92 115.11 117.56 1a5b h GLN 165 Ca 0.19 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1a5b h GLN 165 Cb 0.42 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1a5b h GLN 165 CO 0.01 0.35 0.41 0.28 -0.67 0.00 0.00 178.83 179.21 1a5b h VAL 166 N -0.47 1.04 -0.09 -0.54 2.07 -0.71 0.15 116.25 117.70 1a5b h VAL 166 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1a5b h VAL 166 Cb 0.43 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1a5b h VAL 166 CO 0.01 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.73 1a5b h ALA 167 N 1.66 0.11 0.00 1.67 0.00 -1.14 -1.07 119.26 120.48 1a5b h ALA 167 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1a5b h ALA 167 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a5b h ALA 167 CO -0.07 -0.22 -0.47 0.66 0.00 0.00 0.00 179.25 179.15 1a5b h SER 168 N -0.11 0.00 0.13 0.00 4.64 -0.81 -3.36 113.55 114.04 1a5b h SER 168 Ca 0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 1a5b h SER 168 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1a5b h SER 168 CO 0.00 0.47 -1.93 1.88 -0.87 0.00 0.00 176.83 176.38 1a5b h TYR 169 N 0.00 0.51 -4.16 4.77 0.05 -0.75 -3.48 116.97 113.90 1a5b h TYR 169 Ca -0.00 -0.37 -0.50 0.00 0.05 0.00 0.00 58.73 57.91 1a5b h TYR 169 Cb 1.29 -0.02 0.07 0.00 1.01 0.00 0.00 36.73 39.08 1a5b h TYR 169 CO 0.00 1.76 0.39 0.20 -1.05 0.00 0.00 178.16 179.46 1a5b s GLY 170 N -5.49 2.28 0.08 3.88 0.00 -0.41 -4.76 107.32 102.91 1a5b s GLY 170 Ca -0.22 0.55 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 1a5b s GLY 170 CO 0.78 0.89 0.08 0.50 0.00 0.00 0.00 173.10 175.34 1a5b s ARG 171 N -3.82 0.76 0.00 2.90 1.81 -1.02 -4.60 118.95 114.98 1a5b s ARG 171 Ca 0.67 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 1a5b s ARG 171 Cb -0.19 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.58 1a5b s ARG 171 CO 0.34 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 175.17 1a5b n GLY 172 N 0.01 2.29 3.42 -3.53 0.00 -1.26 -4.39 105.19 101.73 1a5b n GLY 172 Ca -0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1a5b n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a5b s TYR 173 N 0.00 -0.40 -0.26 1.61 -0.85 -1.26 -4.17 117.35 112.02 1a5b s TYR 173 Ca 0.00 0.13 -0.08 0.00 -0.52 0.00 0.00 57.07 56.61 1a5b s TYR 173 Cb 0.00 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1a5b s TYR 173 CO 0.00 -0.84 0.08 0.99 -1.52 0.00 0.00 175.55 174.27 1a5b s THR 174 N -3.78 4.36 -0.46 -3.49 2.01 -0.14 -4.44 115.64 109.69 1a5b s THR 174 Ca 0.03 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 1a5b s THR 174 Cb -0.01 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1a5b s THR 174 CO -0.11 0.30 1.28 -0.47 -0.69 0.00 0.00 174.62 174.93 1a5b s TYR 175 N 1.61 2.58 0.06 4.92 6.14 -0.79 -0.40 117.35 131.47 1a5b s TYR 175 Ca 0.06 0.67 0.01 0.00 0.64 0.00 0.00 57.07 58.45 1a5b s TYR 175 Cb -0.15 -4.39 0.01 0.00 0.42 0.00 0.00 41.96 37.85 1a5b s TYR 175 CO 0.04 -1.65 0.08 -0.11 0.64 0.00 0.00 175.55 174.55 1a5b n LEU 176 N 8.42 0.00 0.00 6.97 7.94 -0.12 0.24 117.00 140.45 1a5b n LEU 176 Ca 0.14 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1a5b n LEU 176 Cb 0.49 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1a5b n LEU 176 CO 0.71 -0.51 0.00 0.18 -1.11 0.00 0.00 177.39 176.66 1a5b n LEU 196 N 0.00 0.00 -0.31 -1.96 4.77 -1.26 -4.56 117.00 113.69 1a5b n LEU 196 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1a5b n LEU 196 Cb 0.06 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.45 1a5b n LEU 196 CO 0.04 0.00 1.06 0.40 -1.33 0.00 0.00 177.39 177.56 1a5b h ILE 197 N 0.00 0.52 -0.21 -0.08 2.04 -1.98 0.17 117.51 117.98 1a5b h ILE 197 Ca 0.00 -0.15 -0.19 0.00 1.00 0.00 0.00 64.86 65.52 1a5b h ILE 197 Cb 0.00 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1a5b h ILE 197 CO 0.00 0.08 -0.61 -0.33 0.00 0.00 0.00 178.15 177.29 1a5b h GLU 198 N 0.44 0.71 -0.38 2.37 3.07 -1.96 -2.49 114.58 116.34 1a5b h GLU 198 Ca 0.55 -0.49 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 1a5b h GLU 198 Cb 1.01 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1a5b h GLU 198 CO -0.50 1.11 -0.07 0.87 -1.40 0.00 0.00 179.01 179.02 1a5b h LYS 199 N 0.53 0.72 -0.53 2.33 1.79 -1.63 -1.29 116.57 118.49 1a5b h LYS 199 Ca -0.01 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.25 1a5b h LYS 199 Cb 1.20 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.76 1a5b h LYS 199 CO 0.12 0.85 0.26 -0.07 -1.08 0.00 0.00 179.45 179.53 1a5b h LEU 200 N 0.53 0.36 -1.19 2.94 3.38 -0.69 -0.11 115.31 120.53 1a5b h LEU 200 Ca 0.10 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1a5b h LEU 200 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1a5b h LEU 200 CO 0.03 0.25 -0.37 0.11 0.09 0.00 0.00 178.44 178.55 1a5b h LYS 201 N 0.50 0.06 -0.33 1.13 1.57 -1.34 0.10 116.57 118.26 1a5b h LYS 201 Ca 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1a5b h LYS 201 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1a5b h LYS 201 CO -0.17 0.43 0.11 1.49 -0.57 0.00 0.00 179.45 180.74 1a5b h GLU 202 N 0.05 0.51 -0.02 3.15 4.81 0.09 -1.84 114.58 121.33 1a5b h GLU 202 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1a5b h GLU 202 Cb 0.69 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1a5b h GLU 202 CO 0.05 0.53 0.00 0.66 -0.73 0.00 0.00 179.01 179.52 1a5b n TYR 203 N -4.68 0.02 -3.27 0.92 4.01 -0.21 -4.89 117.16 109.07 1a5b n TYR 203 Ca -0.01 -0.01 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 1a5b n TYR 203 Cb 0.16 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.25 1a5b n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a5b n HIS 204 N -0.68 -2.24 -0.93 -0.72 8.25 -0.69 -4.75 115.22 113.46 1a5b n HIS 204 Ca 0.15 0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 58.05 1a5b n HIS 204 Cb 0.10 -4.37 0.19 0.00 1.12 0.00 0.00 29.99 27.02 1a5b n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5b s ALA 205 N -3.22 0.63 0.67 -1.41 0.00 0.28 -4.94 121.76 113.78 1a5b s ALA 205 Ca 0.43 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1a5b s ALA 205 Cb -0.19 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1a5b s ALA 205 CO 0.53 -3.07 1.11 0.00 0.00 0.00 0.00 175.76 174.32 1a5b s ALA 206 N -2.76 2.45 -0.14 0.00 0.00 -1.26 -4.85 121.76 115.20 1a5b s ALA 206 Ca 0.66 0.51 -0.39 0.00 0.00 0.00 0.00 51.96 52.74 1a5b s ALA 206 Cb -0.21 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.44 1a5b s ALA 206 CO 0.60 -1.33 1.60 -2.30 0.00 0.00 0.00 175.76 174.33 1a5b n PRO 207 N -2.54 1.16 -2.47 0.00 -0.02 -1.26 -3.83 135.00 126.03 1a5b n PRO 207 Ca 0.10 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1a5b n PRO 207 Cb 0.52 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1a5b n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5b s ALA 208 N 2.43 3.41 -0.17 3.55 0.00 -1.26 -0.97 121.76 128.74 1a5b s ALA 208 Ca 0.93 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 53.78 1a5b s ALA 208 Cb -1.03 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 18.80 1a5b s ALA 208 CO 0.59 -0.17 -0.06 -0.51 0.00 0.00 0.00 175.76 175.60 1a5b s LEU 209 N -1.30 1.68 0.21 0.00 1.02 0.46 -0.96 118.68 119.80 1a5b s LEU 209 Ca 0.45 -0.67 -0.30 0.00 0.02 0.00 0.00 54.13 53.63 1a5b s LEU 209 Cb -0.32 -0.96 -0.08 0.00 0.02 0.00 0.00 46.19 44.85 1a5b s LEU 209 CO 0.40 -0.17 1.08 -1.58 0.02 0.00 0.00 176.35 176.11 1a5b s GLN 210 N 1.60 4.63 -0.03 1.70 0.74 -0.76 -0.94 119.66 126.59 1a5b s GLN 210 Ca 0.01 1.72 0.04 0.00 0.05 0.00 0.00 55.36 57.17 1a5b s GLN 210 Cb -0.15 -3.26 0.06 0.00 1.10 0.00 0.00 33.01 30.76 1a5b s GLN 210 CO -0.08 0.15 0.92 0.41 -0.55 0.00 0.00 175.29 176.14 1a5b n GLY 211 N 1.79 1.77 3.59 2.59 0.00 -1.26 0.01 105.19 113.67 1a5b n GLY 211 Ca 0.01 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1a5b n GLY 211 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5b s PHE 212 N -1.06 2.22 -0.39 1.61 5.36 -1.26 -4.40 117.98 120.06 1a5b s PHE 212 Ca 0.07 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 56.58 1a5b s PHE 212 Cb 0.06 -4.31 0.01 0.00 -0.34 0.00 0.00 43.02 38.44 1a5b s PHE 212 CO 0.01 -2.12 0.09 0.41 -1.46 0.00 0.00 175.22 172.14 1a5b n GLY 213 N 5.25 -0.12 3.59 13.12 0.00 -1.26 -4.82 105.19 120.94 1a5b n GLY 213 Ca 0.16 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1a5b n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5b s ILE 214 N -3.94 4.00 0.00 -0.61 -1.09 -1.26 -4.80 121.20 113.50 1a5b s ILE 214 Ca 0.06 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1a5b s ILE 214 Cb -0.04 -4.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1a5b s ILE 214 CO 0.27 -1.08 0.17 -1.20 -1.23 0.00 0.00 174.94 171.87 1a5b n SER 215 N 8.56 0.34 -4.09 3.58 7.64 -1.26 -4.52 113.62 123.88 1a5b n SER 215 Ca 0.12 -0.81 -0.15 0.00 1.01 0.00 0.00 58.87 59.04 1a5b n SER 215 Cb 0.49 0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.68 1a5b n SER 215 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a5b s SER 216 N -0.11 1.08 0.31 6.43 1.04 -1.26 -5.04 113.70 116.14 1a5b s SER 216 Ca 0.00 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.96 1a5b s SER 216 Cb 0.00 0.00 0.76 0.00 0.10 0.00 0.00 66.02 66.89 1a5b s SER 216 CO 0.00 -0.15 1.78 -0.65 0.98 0.00 0.00 173.24 175.20 1a5b h PRO 217 N 4.54 0.72 -0.20 4.02 0.11 -1.92 0.14 132.00 139.41 1a5b h PRO 217 Ca -0.37 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.76 1a5b h PRO 217 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1a5b h PRO 217 CO 0.41 0.48 0.15 1.49 -0.21 0.00 0.00 178.00 180.32 1a5b h GLU 218 N 0.74 0.00 0.00 1.05 4.81 -1.95 -0.90 114.58 118.34 1a5b h GLU 218 Ca 0.58 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.63 1a5b h GLU 218 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1a5b h GLU 218 CO -0.37 0.00 -0.82 1.96 -0.73 0.00 0.00 179.01 179.05 1a5b h GLN 219 N 0.00 0.04 -0.03 1.92 4.20 -1.13 -2.34 115.11 117.77 1a5b h GLN 219 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1a5b h GLN 219 Cb 0.40 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1a5b h GLN 219 CO -0.00 0.83 -0.04 0.28 -0.67 0.00 0.00 178.83 179.24 1a5b h VAL 220 N 0.02 1.39 -0.80 -0.54 2.07 -1.08 -1.52 116.25 115.80 1a5b h VAL 220 Ca -0.01 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1a5b h VAL 220 Cb 1.44 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 1a5b h VAL 220 CO 0.11 0.33 0.43 0.77 0.02 0.00 0.00 177.57 179.23 1a5b h SER 221 N -0.40 1.00 -0.90 0.57 4.64 -1.47 -1.32 113.55 115.67 1a5b h SER 221 Ca 0.00 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1a5b h SER 221 Cb 0.55 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1a5b h SER 221 CO 0.01 0.82 0.49 0.00 -0.87 0.00 0.00 176.83 177.28 1a5b h ALA 222 N 1.22 1.18 -0.33 5.18 0.00 -1.42 0.50 119.26 125.60 1a5b h ALA 222 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a5b h ALA 222 Cb 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1a5b h ALA 222 CO -0.04 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.98 1a5b h ALA 223 N 1.29 0.43 -0.34 0.00 0.00 -0.61 -1.76 119.26 118.27 1a5b h ALA 223 Ca 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1a5b h ALA 223 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a5b h ALA 223 CO -0.05 0.06 0.06 0.28 0.00 0.00 0.00 179.25 179.60 1a5b h VAL 224 N 0.38 1.23 -0.86 0.00 2.07 -0.92 -2.60 116.25 115.56 1a5b h VAL 224 Ca 0.11 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1a5b h VAL 224 Cb 0.23 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1a5b h VAL 224 CO -0.01 0.27 0.56 -0.09 0.02 0.00 0.00 177.57 178.33 1a5b h ARG 225 N 0.39 0.92 0.00 1.57 2.43 -0.76 0.53 114.38 119.46 1a5b h ARG 225 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1a5b h ARG 225 Cb 0.34 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1a5b h ARG 225 CO 0.01 0.61 0.00 0.00 -1.51 0.00 0.00 179.97 179.07 1a5b n ALA 226 N -2.41 1.55 0.00 2.80 0.00 -0.68 -4.84 120.51 116.93 1a5b n ALA 226 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1a5b n ALA 226 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1a5b n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 227 N -0.37 0.69 3.82 0.00 0.00 0.18 -4.92 105.19 104.58 1a5b n GLY 227 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1a5b n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b s ALA 228 N -2.00 2.95 -0.98 4.61 0.00 -0.99 -4.93 121.76 120.41 1a5b s ALA 228 Ca 0.00 0.36 0.28 0.00 0.00 0.00 0.00 51.96 52.60 1a5b s ALA 228 Cb 0.00 -3.18 1.18 0.00 0.00 0.00 0.00 23.12 21.12 1a5b s ALA 228 CO 0.00 -0.31 1.89 0.00 0.00 0.00 0.00 175.76 177.35 1a5b n ALA 229 N -1.36 2.29 0.00 0.00 0.00 -0.13 -4.23 120.51 117.07 1a5b n ALA 229 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a5b n ALA 229 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1a5b n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 230 N 1.40 -1.30 3.03 0.00 0.00 -1.22 -0.38 105.19 106.72 1a5b n GLY 230 Ca 0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1a5b n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b s ALA 231 N -1.02 0.34 -0.09 4.61 0.00 0.54 -1.84 121.76 124.30 1a5b s ALA 231 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1a5b s ALA 231 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1a5b s ALA 231 CO 0.00 -0.16 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 1a5b s ILE 232 N -1.95 2.48 -0.14 0.00 1.01 0.10 -0.95 121.20 121.75 1a5b s ILE 232 Ca -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1a5b s ILE 232 Cb -0.06 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1a5b s ILE 232 CO -0.02 0.55 -0.11 -0.55 0.00 0.00 0.00 174.94 174.81 1a5b s SER 233 N 0.10 2.58 0.00 3.58 0.15 -0.42 -4.27 113.70 115.41 1a5b s SER 233 Ca -0.09 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1a5b s SER 233 Cb -0.15 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1a5b s SER 233 CO 0.06 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1a5b n GLY 234 N 4.83 -0.21 0.38 9.45 0.00 -1.26 -0.36 105.19 118.01 1a5b n GLY 234 Ca -0.15 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.04 1a5b n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5b h SER 235 N 0.00 0.59 -0.58 1.61 4.64 -1.92 -0.00 113.55 117.88 1a5b h SER 235 Ca 0.00 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1a5b h SER 235 Cb 0.00 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1a5b h SER 235 CO 0.00 0.20 0.30 0.00 -0.87 0.00 0.00 176.83 176.46 1a5b h ALA 236 N 1.63 0.76 -0.12 5.18 0.00 -1.86 0.55 119.26 125.41 1a5b h ALA 236 Ca 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1a5b h ALA 236 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a5b h ALA 236 CO -0.30 -0.05 0.01 0.82 0.00 0.00 0.00 179.25 179.74 1a5b h ILE 237 N 0.56 1.23 -0.88 0.00 5.03 -1.28 -2.88 117.51 119.30 1a5b h ILE 237 Ca 0.26 -0.72 0.03 0.00 -0.12 0.00 0.00 64.86 64.31 1a5b h ILE 237 Cb 0.18 1.48 -0.05 0.00 -3.03 0.00 0.00 36.82 35.40 1a5b h ILE 237 CO -0.18 0.21 0.58 0.58 -0.68 0.00 0.00 178.15 178.66 1a5b h VAL 238 N -0.04 1.16 -0.15 1.67 2.07 -0.66 -2.41 116.25 117.90 1a5b h VAL 238 Ca 0.04 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1a5b h VAL 238 Cb 0.31 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1a5b h VAL 238 CO 0.00 0.20 -0.06 0.11 0.02 0.00 0.00 177.57 177.84 1a5b h LYS 239 N 1.12 -0.04 -0.95 1.57 1.57 0.23 0.13 116.57 120.20 1a5b h LYS 239 Ca 0.35 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 1a5b h LYS 239 Cb -0.01 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1a5b h LYS 239 CO -0.10 -0.03 0.59 0.82 -0.57 0.00 0.00 179.45 180.17 1a5b h ILE 240 N -0.04 0.96 -0.06 1.86 2.04 -1.23 0.51 117.51 121.55 1a5b h ILE 240 Ca 0.08 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1a5b h ILE 240 Cb 0.16 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1a5b h ILE 240 CO -0.18 0.18 -0.02 0.40 0.00 0.00 0.00 178.15 178.53 1a5b h ILE 241 N 0.99 1.30 -0.05 -0.67 2.04 -1.05 -1.45 117.51 118.62 1a5b h ILE 241 Ca 0.45 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1a5b h ILE 241 Cb 0.37 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1a5b h ILE 241 CO -0.23 0.26 -0.09 -0.08 0.00 0.00 0.00 178.15 178.00 1a5b h GLU 242 N -0.24 0.07 -0.00 2.37 4.81 0.00 -2.57 114.58 119.01 1a5b h GLU 242 Ca 0.01 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1a5b h GLU 242 Cb 0.42 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.81 1a5b h GLU 242 CO 0.01 0.16 -1.03 -0.22 -0.73 0.00 0.00 179.01 177.20 1a5b h LYS 243 N 0.07 0.69 -0.69 1.92 3.64 0.18 -3.35 116.57 119.02 1a5b h LYS 243 Ca 0.02 -0.74 -0.43 0.00 -1.27 0.00 0.00 60.65 58.23 1a5b h LYS 243 Cb 0.21 0.21 -0.25 0.00 -0.41 0.00 0.00 32.23 31.98 1a5b h LYS 243 CO 0.01 1.32 0.10 0.09 -2.27 0.00 0.00 179.45 178.70 1a5b n ASN 244 N -3.85 4.42 -0.07 4.20 4.13 -0.56 -4.77 115.26 118.76 1a5b n ASN 244 Ca -0.11 -3.76 -0.07 0.00 1.68 0.00 0.00 54.58 52.32 1a5b n ASN 244 Cb 0.88 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 38.42 1a5b n ASN 244 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1a5b h LEU 245 N 1.48 -0.34 -0.47 3.41 3.38 -1.62 -1.07 115.31 120.09 1a5b h LEU 245 Ca 0.41 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1a5b h LEU 245 Cb 1.62 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1a5b h LEU 245 CO 0.87 -0.13 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1a5b n ALA 246 N -2.58 1.45 -3.62 1.53 0.00 -1.26 -3.79 120.51 112.24 1a5b n ALA 246 Ca -0.00 0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1a5b n ALA 246 Cb 0.19 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 1a5b n ALA 246 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5b n SER 247 N -1.87 1.54 -0.29 0.00 3.41 -0.40 -4.98 113.62 111.02 1a5b n SER 247 Ca 0.02 -2.87 0.09 0.00 -0.26 0.00 0.00 58.87 55.85 1a5b n SER 247 Cb 0.14 -0.66 0.25 0.00 -0.26 0.00 0.00 64.21 63.68 1a5b n SER 247 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1a5b h PRO 248 N 5.29 0.50 -0.31 4.33 0.13 -1.65 0.80 132.00 141.08 1a5b h PRO 248 Ca 0.20 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 1a5b h PRO 248 Cb 0.81 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1a5b h PRO 248 CO 0.58 0.33 -0.36 0.87 -0.23 0.00 0.00 178.00 179.18 1a5b h LYS 249 N 0.52 0.71 0.00 0.86 1.79 -1.93 -2.39 116.57 116.13 1a5b h LYS 249 Ca 0.49 -0.35 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 1a5b h LYS 249 Cb 0.80 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1a5b h LYS 249 CO -0.43 0.96 -0.50 1.96 -1.08 0.00 0.00 179.45 180.37 1a5b h GLN 250 N 0.59 0.00 0.24 3.15 7.50 -1.60 -1.70 115.11 123.29 1a5b h GLN 250 Ca 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 1a5b h GLN 250 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.43 1a5b h GLN 250 CO 0.08 0.50 -0.11 1.98 -1.50 0.00 0.00 178.83 179.77 1a5b h MET 251 N 0.00 -0.31 -0.28 1.46 4.05 -0.56 -0.74 114.93 118.56 1a5b h MET 251 Ca -0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1a5b h MET 251 Cb 1.00 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1a5b h MET 251 CO 0.06 -0.10 0.13 -0.07 0.23 0.00 0.00 176.91 177.17 1a5b h LEU 252 N -0.46 0.36 -0.23 3.39 3.38 -1.35 0.26 115.31 120.65 1a5b h LEU 252 Ca -0.03 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1a5b h LEU 252 Cb 0.35 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1a5b h LEU 252 CO 0.05 0.38 -0.17 0.00 0.09 0.00 0.00 178.44 178.80 1a5b h ALA 253 N 0.99 -0.02 -0.31 1.53 0.00 -1.23 0.16 119.26 120.38 1a5b h ALA 253 Ca 0.10 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1a5b h ALA 253 Cb 0.12 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a5b h ALA 253 CO -0.01 -0.59 -0.16 0.93 0.00 0.00 0.00 179.25 179.42 1a5b h GLU 254 N -0.17 0.56 -0.40 0.00 5.08 -0.99 -2.17 114.58 116.48 1a5b h GLU 254 Ca 0.13 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1a5b h GLU 254 Cb 0.36 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1a5b h GLU 254 CO -0.33 0.70 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.26 1a5b h LEU 255 N 0.50 0.64 -0.19 1.33 3.38 0.05 -0.99 115.31 120.04 1a5b h LEU 255 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1a5b h LEU 255 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1a5b h LEU 255 CO 0.04 0.74 -0.02 -0.09 0.09 0.00 0.00 178.44 179.20 1a5b h ARG 256 N 0.63 0.35 -0.83 1.13 2.43 -0.32 -1.99 114.38 115.77 1a5b h ARG 256 Ca 0.12 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1a5b h ARG 256 Cb 0.46 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1a5b h ARG 256 CO 0.02 0.58 0.39 0.77 -1.51 0.00 0.00 179.97 180.22 1a5b h SER 257 N 0.10 1.10 -0.09 -3.80 0.02 -1.18 -1.37 113.55 108.32 1a5b h SER 257 Ca 0.05 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1a5b h SER 257 Cb 0.43 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1a5b h SER 257 CO 0.01 0.94 0.01 0.15 -1.14 0.00 0.00 176.83 176.80 1a5b h PHE 258 N 1.19 0.17 -0.33 3.45 3.57 -1.13 -2.73 116.94 121.12 1a5b h PHE 258 Ca 0.28 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1a5b h PHE 258 Cb 0.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1a5b h PHE 258 CO 0.02 0.38 0.16 0.28 -2.23 0.00 0.00 178.31 176.91 1a5b h VAL 259 N -0.09 1.16 -0.21 1.41 2.07 -1.18 -1.64 116.25 117.78 1a5b h VAL 259 Ca 0.03 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1a5b h VAL 259 Cb 0.30 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1a5b h VAL 259 CO 0.00 0.17 -0.03 0.77 0.02 0.00 0.00 177.57 178.51 1a5b h SER 260 N 0.40 0.28 -0.09 0.57 4.64 -1.30 0.11 113.55 118.16 1a5b h SER 260 Ca 0.11 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1a5b h SER 260 Cb 0.12 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1a5b h SER 260 CO -0.01 0.36 -0.04 0.00 -0.87 0.00 0.00 176.83 176.26 1a5b h ALA 261 N 1.68 0.13 -0.68 5.18 0.00 -1.21 -0.60 119.26 123.76 1a5b h ALA 261 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1a5b h ALA 261 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1a5b h ALA 261 CO 0.01 -0.11 0.13 0.52 0.00 0.00 0.00 179.25 179.80 1a5b h MET 262 N -0.17 1.11 -0.49 0.00 2.86 -0.95 -2.70 114.93 114.58 1a5b h MET 262 Ca 0.02 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 1a5b h MET 262 Cb 0.49 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1a5b h MET 262 CO 0.01 1.00 -0.08 -0.22 1.06 0.00 0.00 176.91 178.68 1a5b h LYS 263 N 1.04 0.92 -0.75 1.72 1.63 -0.76 -2.86 116.57 117.51 1a5b h LYS 263 Ca 0.21 -0.33 0.07 0.00 -0.85 0.00 0.00 60.65 59.75 1a5b h LYS 263 Cb 0.42 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1a5b h LYS 263 CO 0.01 0.99 0.49 0.00 -3.45 0.00 0.00 179.45 177.49 1a5b h ALA 264 N 0.90 1.70 0.00 5.00 0.00 -0.94 -1.05 119.26 124.88 1a5b h ALA 264 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a5b h ALA 264 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a5b h ALA 264 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1a5b n ALA 265 N -2.44 1.64 0.23 0.00 0.00 -1.03 -2.26 120.51 116.63 1a5b n ALA 265 Ca 0.11 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1a5b n ALA 265 Cb 0.24 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 1a5b n ALA 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5b n SER 266 N -1.83 0.26 -4.79 0.00 3.41 -0.41 -3.41 113.62 106.86 1a5b n SER 266 Ca 0.03 -0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 1a5b n SER 266 Cb 0.19 1.69 -0.00 0.00 -0.26 0.00 0.00 64.21 65.83 1a5b n SER 266 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1a5b s ARG 267 N -3.39 3.40 0.00 4.33 3.52 -0.96 0.07 118.95 125.92 1a5b s ARG 267 Ca -0.04 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 1a5b s ARG 267 Cb 0.14 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 1a5b s ARG 267 CO 0.89 -0.77 0.29 0.00 -0.81 0.00 0.00 175.30 174.91