#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mhr s TRP 2 N 0.00 2.75 0.20 1.61 0.51 -1.26 -4.97 118.94 117.78 2mhr s TRP 2 Ca 0.00 1.55 -0.30 0.00 -2.12 0.00 0.00 56.10 55.23 2mhr s TRP 2 Cb 0.00 -3.19 -0.09 0.00 -0.81 0.00 0.00 33.47 29.38 2mhr s TRP 2 CO 0.00 -1.42 1.28 -2.00 -0.51 0.00 0.00 176.95 174.30 2mhr s GLU 3 N -3.55 4.41 -0.24 4.98 2.12 -1.26 -4.95 118.70 120.21 2mhr s GLU 3 Ca 0.69 2.02 -0.19 0.00 0.36 0.00 0.00 54.97 57.85 2mhr s GLU 3 Cb -0.21 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2mhr s GLU 3 CO 0.30 -0.21 0.56 0.42 -0.54 0.00 0.00 175.26 175.79 2mhr s ILE 4 N 0.04 5.05 0.42 -3.70 1.01 -1.26 -5.03 121.20 117.72 2mhr s ILE 4 Ca 0.56 1.00 -0.25 0.00 0.00 0.00 0.00 60.65 61.95 2mhr s ILE 4 Cb -0.36 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 2mhr s ILE 4 CO 0.38 0.09 1.27 -2.16 0.00 0.00 0.00 174.94 174.53 2mhr s PRO 5 N 2.16 3.90 -0.16 2.79 0.05 -1.26 -5.03 135.00 137.45 2mhr s PRO 5 Ca 0.24 2.08 -0.03 0.00 0.05 0.00 0.00 61.00 63.34 2mhr s PRO 5 Cb -0.16 -2.68 0.05 0.00 0.05 0.00 0.00 34.50 31.77 2mhr s PRO 5 CO 0.09 -0.52 0.04 -2.00 0.05 0.00 0.00 177.00 174.66 2mhr s GLU 6 N -2.34 0.52 0.93 4.56 2.56 -1.26 -3.47 118.70 120.20 2mhr s GLU 6 Ca 0.59 -0.24 -0.11 0.00 0.00 0.00 0.00 54.97 55.21 2mhr s GLU 6 Cb -0.36 -1.80 0.15 0.00 2.00 0.00 0.00 34.13 34.12 2mhr s GLU 6 CO 0.46 -0.57 1.11 -1.25 -0.56 0.00 0.00 175.26 174.44 2mhr s PRO 7 N 1.94 0.94 -1.08 4.30 0.04 -1.26 -5.03 135.00 134.86 2mhr s PRO 7 Ca 0.01 1.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 2mhr s PRO 7 Cb -0.16 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.70 2mhr s PRO 7 CO -0.07 -2.58 1.50 -0.47 0.04 0.00 0.00 177.00 175.42 2mhr s TYR 8 N -2.71 2.61 0.02 0.56 5.04 -1.23 -4.91 117.35 116.73 2mhr s TYR 8 Ca 0.65 -1.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 2mhr s TYR 8 Cb -0.21 -4.70 -0.01 0.00 0.35 0.00 0.00 41.96 37.39 2mhr s TYR 8 CO 0.59 -1.90 -0.06 0.14 -1.34 0.00 0.00 175.55 172.99 2mhr s VAL 9 N 4.73 0.39 0.52 3.14 -7.23 -1.26 -4.52 120.40 116.16 2mhr s VAL 9 Ca 0.47 -0.65 -0.22 0.00 -1.81 0.00 0.00 61.98 59.77 2mhr s VAL 9 Cb 0.01 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 2mhr s VAL 9 CO -0.06 -0.19 1.28 0.86 -0.31 0.00 0.00 175.10 176.68 2mhr s TRP 10 N -0.82 2.49 0.16 2.82 -0.00 -1.26 -4.88 118.94 117.45 2mhr s TRP 10 Ca -0.06 1.44 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 2mhr s TRP 10 Cb -0.06 -3.64 -0.04 0.00 -0.00 0.00 0.00 33.47 29.73 2mhr s TRP 10 CO -0.00 -2.38 0.04 0.16 -0.00 0.00 0.00 176.95 174.77 2mhr s ASP 11 N -1.14 0.78 0.63 5.86 1.47 -1.26 -5.03 116.67 117.98 2mhr s ASP 11 Ca 0.69 -1.21 0.37 0.00 1.18 0.00 0.00 52.55 53.58 2mhr s ASP 11 Cb -0.36 0.21 2.04 0.00 -0.34 0.00 0.00 42.92 44.47 2mhr s ASP 11 CO 0.42 -0.66 2.14 -0.33 0.68 0.00 0.00 175.17 177.42 2mhr h GLU 12 N 2.74 0.00 0.00 2.11 5.08 -2.00 0.17 114.58 122.68 2mhr h GLU 12 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2mhr h GLU 12 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2mhr h GLU 12 CO 0.61 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.28 2mhr h SER 13 N 0.00 0.00 0.04 1.42 4.64 -2.01 -2.05 113.55 115.59 2mhr h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2mhr h SER 13 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2mhr h SER 13 CO 0.00 0.00 -0.08 0.49 -0.87 0.00 0.00 176.83 176.37 2mhr n PHE 14 N -3.02 0.00 -1.72 4.77 3.72 0.05 -4.98 117.46 116.27 2mhr n PHE 14 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2mhr n PHE 14 Cb 0.22 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2mhr n PHE 14 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2mhr n ARG 15 N 0.10 2.67 -0.00 -1.08 0.63 -0.77 -4.91 116.66 113.29 2mhr n ARG 15 Ca 0.16 0.96 0.07 0.00 -0.92 0.00 0.00 57.85 58.12 2mhr n ARG 15 Cb 0.39 -2.76 -0.08 0.00 0.45 0.00 0.00 32.46 30.45 2mhr n ARG 15 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2mhr n VAL 16 N 3.09 0.00 -2.08 5.15 0.24 -1.26 -5.01 118.33 118.45 2mhr n VAL 16 Ca 0.13 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 2mhr n VAL 16 Cb 0.35 0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 33.68 2mhr n VAL 16 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2mhr n PHE 17 N -1.36 -0.20 -3.83 6.34 3.01 -1.26 -4.68 117.46 115.49 2mhr n PHE 17 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 2mhr n PHE 17 Cb 0.23 -1.58 -0.15 0.00 -0.01 0.00 0.00 39.48 37.96 2mhr n PHE 17 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2mhr s TYR 18 N -2.21 2.01 0.27 1.38 2.02 -1.26 -4.99 117.35 114.57 2mhr s TYR 18 Ca 0.00 -1.71 0.00 0.00 -0.37 0.00 0.00 57.07 54.99 2mhr s TYR 18 Cb -0.00 -1.68 0.61 0.00 -0.40 0.00 0.00 41.96 40.49 2mhr s TYR 18 CO 0.00 -0.80 1.71 1.49 -1.57 0.00 0.00 175.55 176.38 2mhr h GLU 19 N 8.02 0.43 -0.37 -0.62 4.57 -1.99 -0.38 114.58 124.25 2mhr h GLU 19 Ca -0.14 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 57.88 2mhr h GLU 19 Cb 1.05 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2mhr h GLU 19 CO 0.43 0.28 -0.31 1.96 -1.18 0.00 0.00 179.01 180.20 2mhr h GLN 20 N 0.44 0.80 -0.29 1.92 4.20 -1.99 -1.42 115.11 118.76 2mhr h GLN 20 Ca 0.50 -0.37 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2mhr h GLN 20 Cb 0.86 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2mhr h GLN 20 CO -0.47 1.00 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.15 2mhr h LEU 21 N 0.68 0.82 -0.58 1.46 3.38 -1.78 -1.89 115.31 117.38 2mhr h LEU 21 Ca 0.08 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2mhr h LEU 21 Cb 0.85 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2mhr h LEU 21 CO 0.07 1.16 0.20 0.44 0.09 0.00 0.00 178.44 180.40 2mhr h ASP 22 N 0.60 0.84 -0.59 -0.43 3.45 -0.82 -0.19 116.42 119.27 2mhr h ASP 22 Ca 0.03 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.23 2mhr h ASP 22 Cb 1.03 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.56 2mhr h ASP 22 CO 0.10 0.81 0.10 -0.33 -1.57 0.00 0.00 179.24 178.34 2mhr h GLU 23 N 0.82 1.01 -0.53 3.56 5.08 -1.16 -0.82 114.58 122.54 2mhr h GLU 23 Ca 0.19 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2mhr h GLU 23 Cb 0.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2mhr h GLU 23 CO -0.01 0.93 0.12 0.93 -1.00 0.00 0.00 179.01 179.99 2mhr h GLU 24 N 0.95 0.85 -0.63 2.33 5.08 -0.94 -2.23 114.58 119.99 2mhr h GLU 24 Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2mhr h GLU 24 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2mhr h GLU 24 CO 0.01 0.81 0.39 0.45 -1.00 0.00 0.00 179.01 179.67 2mhr h HIS 25 N 0.74 0.82 -0.99 4.33 3.86 -0.79 -1.78 115.15 121.33 2mhr h HIS 25 Ca 0.16 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2mhr h HIS 25 Cb 0.35 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 2mhr h HIS 25 CO 0.02 0.55 0.65 0.87 0.86 0.00 0.00 177.93 180.88 2mhr h LYS 26 N 0.85 1.21 -0.03 2.45 1.57 -0.97 -1.95 116.57 119.71 2mhr h LYS 26 Ca 0.23 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2mhr h LYS 26 Cb -0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 2mhr h LYS 26 CO -0.04 0.80 -0.45 0.87 -0.57 0.00 0.00 179.45 180.06 2mhr h LYS 27 N 1.25 0.06 -0.21 3.15 1.57 -0.92 -1.19 116.57 120.27 2mhr h LYS 27 Ca 0.40 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.97 2mhr h LYS 27 Cb 0.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2mhr h LYS 27 CO -0.13 0.50 -0.57 0.82 -0.57 0.00 0.00 179.45 179.50 2mhr h ILE 28 N 0.05 1.30 -0.37 1.86 2.04 -0.74 0.87 117.51 122.52 2mhr h ILE 28 Ca 0.00 -1.78 0.04 0.00 1.00 0.00 0.00 64.86 64.12 2mhr h ILE 28 Cb 0.81 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 2mhr h ILE 28 CO 0.06 0.57 0.14 -0.26 0.00 0.00 0.00 178.15 178.66 2mhr h PHE 29 N 0.50 0.25 -0.39 1.37 0.04 -1.21 -1.73 116.94 115.77 2mhr h PHE 29 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 2mhr h PHE 29 Cb 1.19 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2mhr h PHE 29 CO 0.09 0.11 0.09 -0.22 -0.60 0.00 0.00 178.31 177.77 2mhr h LYS 30 N 0.30 0.57 -0.38 1.51 3.64 -1.12 0.37 116.57 121.46 2mhr h LYS 30 Ca 0.16 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2mhr h LYS 30 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2mhr h LYS 30 CO -0.16 0.53 0.23 0.78 -2.27 0.00 0.00 179.45 178.56 2mhr h GLY 31 N 0.79 0.53 0.78 5.01 0.00 -0.21 -0.35 103.07 109.62 2mhr h GLY 31 Ca 0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2mhr h GLY 31 CO -0.00 0.16 -0.21 -2.22 0.00 0.00 0.00 176.54 174.26 2mhr h ILE 32 N 0.47 1.35 -0.87 2.60 2.04 -0.97 -2.56 117.51 119.57 2mhr h ILE 32 Ca 0.15 -1.42 0.09 0.00 1.00 0.00 0.00 64.86 64.69 2mhr h ILE 32 Cb -0.01 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 2mhr h ILE 32 CO -0.06 0.42 0.56 0.15 0.00 0.00 0.00 178.15 179.22 2mhr h PHE 33 N 0.04 0.93 -0.24 1.37 3.57 -0.67 -1.29 116.94 120.65 2mhr h PHE 33 Ca 0.02 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 2mhr h PHE 33 Cb 0.77 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2mhr h PHE 33 CO 0.09 0.43 -0.54 -0.44 -2.23 0.00 0.00 178.31 175.62 2mhr h ASP 34 N 0.86 0.79 0.44 0.41 3.45 -0.99 -2.00 116.42 119.38 2mhr h ASP 34 Ca 0.40 -0.42 -0.06 0.00 0.43 0.00 0.00 57.03 57.38 2mhr h ASP 34 Cb 0.40 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 2mhr h ASP 34 CO -0.17 1.17 -0.31 0.00 -1.57 0.00 0.00 179.24 178.37 2mhr h ILE 36 N 0.00 1.29 -0.31 0.00 2.04 -0.99 -2.81 117.51 116.73 2mhr h ILE 36 Ca -0.00 -0.96 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 2mhr h ILE 36 Cb 0.61 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2mhr h ILE 36 CO 0.04 0.27 -0.41 0.03 0.00 0.00 0.00 178.15 178.08 2mhr h ARG 37 N -0.11 0.78 -1.84 2.37 2.47 -1.14 -3.41 114.38 113.49 2mhr h ARG 37 Ca 0.03 -0.41 -0.29 0.00 -1.26 0.00 0.00 59.98 58.05 2mhr h ARG 37 Cb 0.44 0.02 -0.30 0.00 -1.65 0.00 0.00 29.97 28.48 2mhr h ARG 37 CO 0.01 1.04 -0.62 0.34 0.56 0.00 0.00 179.97 181.31 2mhr s ASP 38 N -6.86 0.82 -1.46 7.04 3.68 -0.08 -5.07 116.67 114.74 2mhr s ASP 38 Ca -0.09 -1.03 -0.13 0.00 2.13 0.00 0.00 52.55 53.43 2mhr s ASP 38 Cb 0.12 0.82 0.01 0.00 -1.45 0.00 0.00 42.92 42.41 2mhr s ASP 38 CO 0.86 -0.30 2.36 -3.20 0.13 0.00 0.00 175.17 175.02 2mhr n ASN 39 N 4.77 4.80 -4.74 -0.34 2.85 -1.06 -4.23 115.26 117.31 2mhr n ASN 39 Ca 0.06 -2.78 -0.23 0.00 -0.11 0.00 0.00 54.58 51.52 2mhr n ASN 39 Cb 0.48 -1.62 -0.06 0.00 1.24 0.00 0.00 39.78 39.82 2mhr n ASN 39 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2mhr s SER 40 N 3.06 4.68 0.15 1.20 1.04 -1.26 -4.22 113.70 118.35 2mhr s SER 40 Ca 0.52 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 2mhr s SER 40 Cb 0.15 -0.70 0.02 0.00 0.10 0.00 0.00 66.02 65.58 2mhr s SER 40 CO -0.08 -0.34 1.76 0.00 0.98 0.00 0.00 173.24 175.56 2mhr h ALA 41 N 1.51 0.56 -0.82 5.32 0.00 -1.90 -2.18 119.26 121.75 2mhr h ALA 41 Ca -0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2mhr h ALA 41 Cb 1.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2mhr h ALA 41 CO 0.64 0.08 0.38 -1.35 0.00 0.00 0.00 179.25 178.99 2mhr h PRO 42 N 0.57 1.18 -0.41 0.00 0.11 -1.96 -1.11 132.00 130.38 2mhr h PRO 42 Ca 0.15 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 2mhr h PRO 42 Cb 0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2mhr h PRO 42 CO -0.02 0.92 -0.31 -0.91 -0.21 0.00 0.00 178.00 177.46 2mhr h ASN 43 N 1.17 0.95 -0.52 -2.05 2.35 -1.81 -1.64 115.58 114.03 2mhr h ASN 43 Ca 0.28 -0.40 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 2mhr h ASN 43 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2mhr h ASN 43 CO -0.03 1.18 0.12 0.25 -1.65 0.00 0.00 177.43 177.29 2mhr h LEU 44 N 0.76 0.80 -0.98 1.61 5.85 -1.18 -1.37 115.31 120.80 2mhr h LEU 44 Ca 0.08 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2mhr h LEU 44 Cb 0.89 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2mhr h LEU 44 CO 0.08 0.83 0.32 0.00 -0.34 0.00 0.00 178.44 179.33 2mhr h ALA 45 N 1.00 1.20 -0.39 1.25 0.00 -0.96 -0.76 119.26 120.61 2mhr h ALA 45 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2mhr h ALA 45 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2mhr h ALA 45 CO 0.00 0.59 0.19 1.15 0.00 0.00 0.00 179.25 181.19 2mhr h THR 46 N 1.03 1.17 -0.28 0.00 2.02 -1.16 -0.55 112.91 115.14 2mhr h THR 46 Ca 0.25 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2mhr h THR 46 Cb 0.15 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2mhr h THR 46 CO -0.03 0.18 0.16 0.25 0.37 0.00 0.00 175.52 176.45 2mhr h LEU 47 N 0.49 0.25 -0.58 2.58 5.85 -0.48 -0.41 115.31 123.01 2mhr h LEU 47 Ca 0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2mhr h LEU 47 Cb 0.11 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2mhr h LEU 47 CO -0.02 0.19 0.33 0.58 -0.34 0.00 0.00 178.44 179.18 2mhr h VAL 48 N 0.33 1.01 0.05 1.05 2.07 -0.89 -1.92 116.25 117.94 2mhr h VAL 48 Ca 0.11 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2mhr h VAL 48 Cb 0.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2mhr h VAL 48 CO -0.06 0.12 -0.02 0.50 0.02 0.00 0.00 177.57 178.13 2mhr h LYS 49 N 0.64 -0.06 -0.31 1.57 3.64 -0.58 -1.44 116.57 120.03 2mhr h LYS 49 Ca 0.25 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 2mhr h LYS 49 Cb 0.10 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2mhr h LYS 49 CO -0.14 0.13 -0.17 -0.39 -2.27 0.00 0.00 179.45 176.61 2mhr h VAL 50 N -0.24 1.25 -0.24 2.00 -1.51 -1.08 -1.81 116.25 114.61 2mhr h VAL 50 Ca -0.01 -1.16 -0.19 0.00 -1.23 0.00 0.00 66.70 64.11 2mhr h VAL 50 Cb 0.22 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 2mhr h VAL 50 CO 0.01 0.38 -0.59 0.74 -1.23 0.00 0.00 177.57 176.88 2mhr h THR 51 N 0.51 1.28 -0.17 7.19 2.02 -1.20 -1.89 112.91 120.65 2mhr h THR 51 Ca 0.08 -1.79 0.01 0.00 0.77 0.00 0.00 66.41 65.48 2mhr h THR 51 Cb 0.59 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2mhr h THR 51 CO 0.04 0.58 0.09 0.74 0.37 0.00 0.00 175.52 177.34 2mhr h THR 52 N 0.60 1.00 -0.50 3.16 2.02 -1.08 -1.19 112.91 116.92 2mhr h THR 52 Ca 0.00 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2mhr h THR 52 Cb 1.19 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2mhr h THR 52 CO 0.13 0.03 0.31 0.78 0.37 0.00 0.00 175.52 177.14 2mhr h ASN 53 N 0.19 0.51 0.08 4.18 2.35 -1.30 -2.12 115.58 119.48 2mhr h ASN 53 Ca 0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2mhr h ASN 53 Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2mhr h ASN 53 CO -0.04 0.37 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.29 2mhr h HIS 54 N 0.62 -0.19 -0.85 1.19 2.76 -1.12 -2.25 115.15 115.31 2mhr h HIS 54 Ca 0.20 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2mhr h HIS 54 Cb -0.01 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 2mhr h HIS 54 CO -0.06 -0.12 0.56 0.74 -1.30 0.00 0.00 177.93 177.76 2mhr h PHE 55 N -0.17 1.06 -0.62 5.26 0.04 -1.03 0.69 116.94 122.16 2mhr h PHE 55 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2mhr h PHE 55 Cb 0.16 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 2mhr h PHE 55 CO -0.10 0.65 0.41 1.15 -0.60 0.00 0.00 178.31 179.82 2mhr h THR 56 N 1.13 1.16 -0.03 -1.55 2.02 -1.29 -1.15 112.91 113.20 2mhr h THR 56 Ca 0.32 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2mhr h THR 56 Cb -0.09 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2mhr h THR 56 CO -0.08 0.15 -0.03 -0.74 0.37 0.00 0.00 175.52 175.20 2mhr h HIS 57 N 0.84 0.08 -0.52 3.16 -0.00 -1.00 -1.89 115.15 115.82 2mhr h HIS 57 Ca 0.23 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 2mhr h HIS 57 Cb -0.09 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2mhr h HIS 57 CO -0.03 0.53 0.15 1.49 -0.00 0.00 0.00 177.93 180.07 2mhr h GLU 58 N -0.39 0.82 -0.42 5.26 4.81 -0.82 -1.35 114.58 122.48 2mhr h GLU 58 Ca 0.00 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 2mhr h GLU 58 Cb 0.52 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2mhr h GLU 58 CO 0.01 0.76 -0.11 0.93 -0.73 0.00 0.00 179.01 179.87 2mhr h GLU 59 N 0.72 0.76 -0.38 1.92 5.08 -1.29 -1.49 114.58 119.89 2mhr h GLU 59 Ca 0.17 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2mhr h GLU 59 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2mhr h GLU 59 CO -0.00 0.84 -0.04 0.00 -1.00 0.00 0.00 179.01 178.80 2mhr h ALA 60 N 1.19 1.21 -0.13 3.43 0.00 -0.94 -1.11 119.26 122.92 2mhr h ALA 60 Ca 0.12 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2mhr h ALA 60 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2mhr h ALA 60 CO 0.04 0.51 -0.77 0.52 0.00 0.00 0.00 179.25 179.56 2mhr h MET 61 N 0.59 0.65 -0.65 0.00 2.86 -0.72 -1.80 114.93 115.86 2mhr h MET 61 Ca 0.12 -0.54 -0.07 0.00 -2.06 0.00 0.00 59.70 57.15 2mhr h MET 61 Cb 0.44 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2mhr h MET 61 CO 0.02 1.15 0.13 0.52 1.06 0.00 0.00 176.91 179.79 2mhr h MET 62 N 0.45 1.07 -0.14 1.72 2.07 -1.02 -2.54 114.93 116.53 2mhr h MET 62 Ca -0.05 -0.28 -0.03 0.00 -2.07 0.00 0.00 59.70 57.28 2mhr h MET 62 Cb 1.38 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 30.97 2mhr h MET 62 CO 0.15 0.97 -0.02 -0.44 1.07 0.00 0.00 176.91 178.64 2mhr h ASP 63 N 0.99 0.27 -0.95 1.22 3.32 -1.19 -0.73 116.42 119.35 2mhr h ASP 63 Ca 0.20 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2mhr h ASP 63 Cb 0.41 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2mhr h ASP 63 CO 0.01 0.55 0.62 0.00 -1.72 0.00 0.00 179.24 178.70 2mhr h ALA 64 N 0.72 1.25 -0.00 3.45 0.00 -1.25 -2.55 119.26 120.88 2mhr h ALA 64 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2mhr h ALA 64 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2mhr h ALA 64 CO 0.01 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.76 2mhr n ALA 65 N -2.36 2.66 -4.03 0.00 0.00 -0.96 -4.91 120.51 110.91 2mhr n ALA 65 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 2mhr n ALA 65 Cb 0.09 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2mhr n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2mhr n LYS 66 N -0.66 -3.50 -1.84 0.00 5.02 -0.96 -4.87 118.16 111.35 2mhr n LYS 66 Ca 0.22 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.51 2mhr n LYS 66 Cb 0.19 -4.80 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 2mhr n LYS 66 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2mhr s TYR 67 N -3.69 2.88 0.19 2.13 6.14 -0.30 -4.91 117.35 119.79 2mhr s TYR 67 Ca 0.29 0.73 0.21 0.00 0.64 0.00 0.00 57.07 58.95 2mhr s TYR 67 Cb -0.16 -4.01 0.86 0.00 0.42 0.00 0.00 41.96 39.07 2mhr s TYR 67 CO 0.89 -3.51 1.81 0.66 0.64 0.00 0.00 175.55 176.04 2mhr h SER 68 N 5.52 0.00 -0.52 4.32 4.64 -1.89 -3.27 113.55 122.35 2mhr h SER 68 Ca -0.45 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.61 2mhr h SER 68 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2mhr h SER 68 CO 0.84 0.29 0.11 -0.62 -0.87 0.00 0.00 176.83 176.58 2mhr n GLU 69 N -3.51 2.05 0.18 4.77 -0.58 -1.26 -4.66 120.64 117.63 2mhr n GLU 69 Ca -0.00 -3.13 0.04 0.00 -0.42 0.00 0.00 57.16 53.64 2mhr n GLU 69 Cb 0.44 -1.92 0.34 0.00 -0.57 0.00 0.00 31.44 29.73 2mhr n GLU 69 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2mhr h VAL 70 N 1.10 1.10 0.11 2.62 3.04 -1.94 -3.20 116.25 119.08 2mhr h VAL 70 Ca 0.31 -1.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.48 2mhr h VAL 70 Cb 1.97 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 2mhr h VAL 70 CO 0.57 0.40 -0.05 -0.37 -1.01 0.00 0.00 177.57 177.11 2mhr h VAL 71 N 0.00 1.08 -0.90 1.51 -1.51 -1.90 -0.51 116.25 114.01 2mhr h VAL 71 Ca -0.00 -0.90 0.10 0.00 -1.23 0.00 0.00 66.70 64.67 2mhr h VAL 71 Cb 0.83 1.63 -0.07 0.00 -2.13 0.00 0.00 31.29 31.56 2mhr h VAL 71 CO 0.05 0.21 0.58 -0.65 -1.23 0.00 0.00 177.57 176.53 2mhr h PRO 72 N -0.58 0.84 0.38 5.19 0.11 -1.95 -2.65 132.00 133.33 2mhr h PRO 72 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2mhr h PRO 72 Cb 0.46 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2mhr h PRO 72 CO 0.03 0.55 -0.18 1.25 -0.21 0.00 0.00 178.00 179.44 2mhr h HIS 73 N 0.86 -0.47 0.00 0.65 2.76 -1.51 -2.63 115.15 114.82 2mhr h HIS 73 Ca 0.42 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 2mhr h HIS 73 Cb 0.46 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 2mhr h HIS 73 CO -0.00 -0.22 -0.00 0.87 -1.30 0.00 0.00 177.93 177.28 2mhr h LYS 74 N -0.63 0.00 -0.10 5.26 1.57 -0.96 -2.03 116.57 119.68 2mhr h LYS 74 Ca -0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2mhr h LYS 74 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2mhr h LYS 74 CO 0.08 0.00 -0.66 0.87 -0.57 0.00 0.00 179.45 179.17 2mhr h LYS 75 N 0.00 0.42 -0.37 3.15 1.79 -1.12 -1.49 116.57 118.95 2mhr h LYS 75 Ca -0.00 -0.31 -0.16 0.00 -2.18 0.00 0.00 60.65 58.00 2mhr h LYS 75 Cb 0.00 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2mhr h LYS 75 CO 0.00 0.94 -0.39 0.52 -1.08 0.00 0.00 179.45 179.44 2mhr h MET 76 N 0.30 0.92 -0.33 3.15 2.86 -1.10 -2.36 114.93 118.36 2mhr h MET 76 Ca -0.02 -0.49 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 2mhr h MET 76 Cb 1.22 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2mhr h MET 76 CO 0.12 1.14 0.03 0.45 1.06 0.00 0.00 176.91 179.71 2mhr h HIS 77 N 0.73 0.61 -0.70 -0.22 3.86 -1.22 -2.39 115.15 115.81 2mhr h HIS 77 Ca 0.06 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2mhr h HIS 77 Cb 0.98 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2mhr h HIS 77 CO 0.07 0.65 0.38 -0.22 0.86 0.00 0.00 177.93 179.67 2mhr h LYS 78 N 0.39 0.98 -0.58 2.45 3.64 -1.25 -1.20 116.57 120.99 2mhr h LYS 78 Ca 0.10 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2mhr h LYS 78 Cb 0.39 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2mhr h LYS 78 CO 0.01 0.73 0.21 -0.44 -2.27 0.00 0.00 179.45 177.69 2mhr h ASP 79 N 0.96 0.83 -0.34 4.20 5.19 -1.39 -1.83 116.42 124.05 2mhr h ASP 79 Ca 0.25 -0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 2mhr h ASP 79 Cb 0.04 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 2mhr h ASP 79 CO -0.04 0.79 -0.15 0.15 -3.12 0.00 0.00 179.24 176.87 2mhr h PHE 80 N 0.81 0.81 -0.51 4.55 3.04 -1.18 -2.33 116.94 122.12 2mhr h PHE 80 Ca 0.19 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2mhr h PHE 80 Cb 0.24 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 2mhr h PHE 80 CO 0.01 0.90 0.22 -0.07 -2.02 0.00 0.00 178.31 177.36 2mhr h LEU 81 N 0.48 0.66 -0.36 0.59 3.38 -1.09 -1.71 115.31 117.26 2mhr h LEU 81 Ca 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2mhr h LEU 81 Cb 0.69 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2mhr h LEU 81 CO 0.05 0.58 0.16 -0.08 0.09 0.00 0.00 178.44 179.24 2mhr h GLU 82 N 0.73 0.54 0.39 1.13 4.81 -1.21 -1.16 114.58 119.81 2mhr h GLU 82 Ca 0.18 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2mhr h GLU 82 Cb 0.12 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2mhr h GLU 82 CO -0.02 0.51 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.36 2mhr h LYS 83 N 0.44 -0.51 0.00 1.92 3.64 -1.03 -2.98 116.57 118.05 2mhr h LYS 83 Ca 0.12 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2mhr h LYS 83 Cb 0.16 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2mhr h LYS 83 CO -0.01 -0.22 -0.45 -0.84 -2.27 0.00 0.00 179.45 175.66 2mhr h ILE 84 N -0.76 1.05 0.00 2.00 3.07 -1.38 -2.94 117.51 118.55 2mhr h ILE 84 Ca -0.05 -1.70 -0.02 0.00 1.55 0.00 0.00 64.86 64.63 2mhr h ILE 84 Cb 0.52 1.99 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2mhr h ILE 84 CO 0.09 0.44 -0.09 1.23 -1.05 0.00 0.00 178.15 178.76 2mhr h GLY 85 N 2.01 0.00 0.65 0.16 0.00 -1.23 -2.74 103.07 101.92 2mhr h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2mhr h GLY 85 CO 0.06 0.00 -0.64 0.61 0.00 0.00 0.00 176.54 176.57 2mhr n GLY 86 N -1.17 -1.14 3.84 4.60 0.00 -1.11 -4.98 105.19 105.23 2mhr n GLY 86 Ca -0.03 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 2mhr n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2mhr s LEU 87 N -2.97 3.13 0.03 0.99 1.43 -1.04 -5.09 118.68 115.15 2mhr s LEU 87 Ca 0.11 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2mhr s LEU 87 Cb 0.17 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 2mhr s LEU 87 CO 0.74 -1.29 -0.06 -0.94 0.23 0.00 0.00 176.35 175.04 2mhr s SER 88 N -3.94 0.61 0.23 2.29 1.04 -1.26 -5.08 113.70 107.59 2mhr s SER 88 Ca 0.57 -0.43 -0.25 0.00 0.48 0.00 0.00 55.95 56.32 2mhr s SER 88 Cb -0.13 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 2mhr s SER 88 CO 0.55 -0.17 0.83 0.00 0.98 0.00 0.00 173.24 175.42 2mhr s ALA 89 N -1.12 3.36 0.15 5.32 0.00 -1.26 -3.16 121.76 125.06 2mhr s ALA 89 Ca -0.09 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2mhr s ALA 89 Cb -0.08 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 2mhr s ALA 89 CO -0.00 0.26 1.07 -1.25 0.00 0.00 0.00 175.76 175.84 2mhr s PRO 90 N -1.60 4.61 0.29 0.00 0.04 -1.26 -4.87 135.00 132.21 2mhr s PRO 90 Ca 0.42 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2mhr s PRO 90 Cb -0.21 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.93 2mhr s PRO 90 CO 0.25 0.09 1.34 0.08 0.04 0.00 0.00 177.00 178.80 2mhr s VAL 91 N -0.10 2.79 0.68 -0.36 1.01 -1.19 -4.98 120.40 118.25 2mhr s VAL 91 Ca 0.49 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 2mhr s VAL 91 Cb -0.28 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2mhr s VAL 91 CO 0.33 0.15 1.09 1.51 0.00 0.00 0.00 175.10 178.18 2mhr s ASP 92 N -0.14 5.13 0.39 3.32 -4.77 -1.26 -4.83 116.67 114.50 2mhr s ASP 92 Ca 0.53 1.89 0.14 0.00 -3.30 0.00 0.00 52.55 51.80 2mhr s ASP 92 Cb -0.40 -2.54 0.97 0.00 -1.09 0.00 0.00 42.92 39.87 2mhr s ASP 92 CO 0.48 -1.61 1.86 0.00 0.70 0.00 0.00 175.17 176.60 2mhr h ALA 93 N -0.22 2.04 -0.34 2.11 0.00 -2.00 -1.83 119.26 119.01 2mhr h ALA 93 Ca -0.46 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2mhr h ALA 93 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2mhr h ALA 93 CO 0.54 -0.30 -0.32 1.57 0.00 0.00 0.00 179.25 180.74 2mhr h LYS 94 N 0.52 0.75 0.00 0.00 2.10 -1.99 -2.00 116.57 115.95 2mhr h LYS 94 Ca 0.46 -0.35 -0.16 0.00 -2.00 0.00 0.00 60.65 58.60 2mhr h LYS 94 Cb 0.96 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 2mhr h LYS 94 CO -0.19 0.97 -0.75 -0.91 -2.00 0.00 0.00 179.45 176.57 2mhr h ASN 95 N 0.64 0.00 -0.36 7.07 2.35 -1.73 -2.03 115.58 121.52 2mhr h ASN 95 Ca 0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 2mhr h ASN 95 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 2mhr h ASN 95 CO 0.07 0.75 -0.15 0.58 -1.65 0.00 0.00 177.43 177.02 2mhr h VAL 96 N 0.00 1.28 -0.56 2.81 2.07 -1.29 -1.84 116.25 118.73 2mhr h VAL 96 Ca -0.01 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 2mhr h VAL 96 Cb 1.43 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2mhr h VAL 96 CO 0.10 0.42 0.14 0.44 0.02 0.00 0.00 177.57 178.68 2mhr h ASP 97 N 0.52 0.80 -0.55 0.57 5.19 -1.25 -0.68 116.42 121.02 2mhr h ASP 97 Ca 0.08 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2mhr h ASP 97 Cb 0.69 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 2mhr h ASP 97 CO 0.05 0.78 0.29 0.22 -3.12 0.00 0.00 179.24 177.47 2mhr h TYR 98 N 0.83 0.76 -0.35 4.55 5.03 -1.27 -1.60 116.97 124.92 2mhr h TYR 98 Ca 0.18 -0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.35 2mhr h TYR 98 Cb 0.30 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2mhr h TYR 98 CO 0.02 0.57 -0.25 0.00 -1.32 0.00 0.00 178.16 177.18 2mhr h LYS 100 N 0.57 0.23 -0.42 0.00 1.57 -0.95 -2.38 116.57 115.18 2mhr h LYS 100 Ca 0.07 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2mhr h LYS 100 Cb 0.81 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2mhr h LYS 100 CO 0.07 0.15 -0.29 1.49 -0.57 0.00 0.00 179.45 180.29 2mhr h GLU 101 N 0.23 0.94 -0.06 3.15 4.81 -1.24 -3.14 114.58 119.28 2mhr h GLU 101 Ca 0.07 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2mhr h GLU 101 Cb -0.01 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2mhr h GLU 101 CO -0.03 1.11 -0.10 2.35 -0.73 0.00 0.00 179.01 181.61 2mhr h TRP 102 N 0.78 -0.26 -0.14 0.92 7.01 -0.95 -1.65 115.95 121.66 2mhr h TRP 102 Ca 0.08 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2mhr h TRP 102 Cb 0.88 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2mhr h TRP 102 CO 0.06 -0.16 0.07 1.25 -2.79 0.00 0.00 178.44 176.87 2mhr h LEU 103 N -0.15 0.18 -0.34 0.65 5.85 -1.49 0.11 115.31 120.11 2mhr h LEU 103 Ca 0.06 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2mhr h LEU 103 Cb 0.23 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2mhr h LEU 103 CO -0.15 0.22 0.03 0.58 -0.34 0.00 0.00 178.44 178.79 2mhr h VAL 104 N 0.12 0.78 -0.04 1.05 2.07 -1.47 -0.90 116.25 117.86 2mhr h VAL 104 Ca 0.05 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 2mhr h VAL 104 Cb 0.09 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2mhr h VAL 104 CO -0.01 0.02 -0.67 0.78 0.02 0.00 0.00 177.57 177.71 2mhr h ASN 105 N 0.14 0.20 -0.34 0.57 2.35 -1.21 -2.44 115.58 114.86 2mhr h ASN 105 Ca 0.17 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 2mhr h ASN 105 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2mhr h ASN 105 CO -0.25 0.82 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.44 2mhr h HIS 106 N 0.12 0.82 0.14 1.19 2.76 -0.45 -0.85 115.15 118.88 2mhr h HIS 106 Ca -0.01 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 2mhr h HIS 106 Cb 1.21 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2mhr h HIS 106 CO 0.02 0.92 -0.07 0.82 -1.30 0.00 0.00 177.93 178.32 2mhr h ILE 107 N 0.48 1.01 0.00 6.26 2.04 -1.15 -0.70 117.51 125.45 2mhr h ILE 107 Ca 0.07 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 2mhr h ILE 107 Cb 0.71 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2mhr h ILE 107 CO 0.05 0.21 -0.65 0.11 0.00 0.00 0.00 178.15 177.87 2mhr h LYS 108 N -0.66 0.00 0.00 2.37 1.57 -1.52 -0.73 116.57 117.60 2mhr h LYS 108 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2mhr h LYS 108 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2mhr h LYS 108 CO 0.03 0.65 -1.62 0.41 -0.57 0.00 0.00 179.45 178.35 2mhr n GLY 109 N 0.53 -1.15 1.16 3.86 0.00 -0.32 -4.45 105.19 104.82 2mhr n GLY 109 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2mhr n GLY 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2mhr n THR 110 N -2.78 0.00 0.09 2.61 -1.04 -0.49 -4.68 114.28 107.99 2mhr n THR 110 Ca -0.12 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 2mhr n THR 110 Cb 0.85 -1.20 0.41 0.00 -1.82 0.00 0.00 70.33 68.57 2mhr n THR 110 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2mhr h ASP 111 N 0.00 0.30 0.10 8.00 3.32 -0.86 -2.19 116.42 125.10 2mhr h ASP 111 Ca 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2mhr h ASP 111 Cb 0.76 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2mhr h ASP 111 CO 0.00 0.36 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.59 2mhr h PHE 112 N 0.32 0.00 0.00 4.55 -1.00 -1.36 -2.21 116.94 117.25 2mhr h PHE 112 Ca 0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2mhr h PHE 112 Cb 0.22 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 2mhr h PHE 112 CO 0.00 0.02 -0.12 0.87 -1.61 0.00 0.00 178.31 177.48 2mhr h LYS 113 N 0.00 0.00 -0.01 1.51 1.57 -1.66 -2.49 116.57 115.49 2mhr h LYS 113 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2mhr h LYS 113 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2mhr h LYS 113 CO 0.00 0.12 -0.08 2.48 -0.57 0.00 0.00 179.45 181.41 2mhr n TYR 114 N -3.42 0.00 -1.68 -1.35 0.18 -0.83 -4.87 117.16 105.19 2mhr n TYR 114 Ca -0.01 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.32 2mhr n TYR 114 Cb 0.29 -0.05 -0.04 0.00 -0.38 0.00 0.00 39.34 39.17 2mhr n TYR 114 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2mhr n LYS 115 N -0.18 2.36 -0.96 -3.48 5.02 -0.94 -1.51 118.16 118.48 2mhr n LYS 115 Ca 0.17 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 2mhr n LYS 115 Cb 0.34 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 2mhr n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mhr n GLY 116 N 3.88 0.85 0.00 0.72 0.00 -1.26 -4.87 105.19 104.51 2mhr n GLY 116 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2mhr n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mhr n LYS 117 N -2.09 2.27 0.00 1.61 4.76 -0.57 -5.26 118.16 118.88 2mhr n LYS 117 Ca 0.00 -0.01 0.14 0.00 -2.87 0.00 0.00 58.31 55.56 2mhr n LYS 117 Cb 0.01 -1.17 0.43 0.00 -1.84 0.00 0.00 35.03 32.46 2mhr n LYS 117 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31