#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eal n PHE 2 N 0.00 0.00 -3.73 0.00 3.72 -1.26 -4.95 117.46 111.23 1eal n PHE 2 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1eal n PHE 2 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1eal n PHE 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1eal n THR 3 N -0.26 -4.68 0.00 4.37 -2.24 -1.26 -4.94 114.28 105.27 1eal n THR 3 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1eal n THR 3 Cb 0.00 -3.65 0.00 0.00 -2.10 0.00 0.00 70.33 64.58 1eal n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1eal n GLY 4 N -1.77 -0.28 3.88 3.38 0.00 -0.52 -4.98 105.19 104.90 1eal n GLY 4 Ca -0.18 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1eal n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 5 N -2.00 3.38 -0.05 1.61 1.02 -1.26 -0.92 119.74 121.53 1eal s LYS 5 Ca 0.00 0.61 -0.21 0.00 0.02 0.00 0.00 55.97 56.39 1eal s LYS 5 Cb 0.00 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1eal s LYS 5 CO 0.00 -0.67 0.46 0.71 -0.92 0.00 0.00 175.35 174.93 1eal s TYR 6 N -3.19 -0.39 0.03 3.18 2.02 0.11 -3.43 117.35 115.68 1eal s TYR 6 Ca 0.55 0.69 0.05 0.00 -0.37 0.00 0.00 57.07 57.99 1eal s TYR 6 Cb -0.11 0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.64 1eal s TYR 6 CO 0.53 -0.46 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.73 1eal s GLU 7 N -1.11 2.33 -0.15 -0.62 2.02 -0.34 -0.26 118.70 120.58 1eal s GLU 7 Ca -0.11 -0.85 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1eal s GLU 7 Cb -0.03 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1eal s GLU 7 CO 0.06 0.57 0.25 0.42 0.02 0.00 0.00 175.26 176.58 1eal s ILE 8 N -0.99 5.33 0.00 -1.63 1.01 -0.96 -0.04 121.20 123.92 1eal s ILE 8 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1eal s ILE 8 Cb -0.11 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1eal s ILE 8 CO 0.07 0.45 0.60 -1.84 0.00 0.00 0.00 174.94 174.22 1eal n GLU 9 N 3.19 0.56 -3.59 2.79 -0.00 -1.21 -4.41 120.64 117.98 1eal n GLU 9 Ca -0.14 -0.76 -0.06 0.00 -0.00 0.00 0.00 57.16 56.20 1eal n GLU 9 Cb 0.52 -0.88 -0.03 0.00 -0.00 0.00 0.00 31.44 31.05 1eal n GLU 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1eal s SER 10 N -0.33 -0.20 0.39 -1.84 0.15 -1.25 -5.05 113.70 105.56 1eal s SER 10 Ca 0.00 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.82 1eal s SER 10 Cb 0.00 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1eal s SER 10 CO 0.00 -0.26 0.18 -0.62 1.20 0.00 0.00 173.24 173.74 1eal n GLU 11 N 0.24 0.53 -3.36 5.44 4.71 -1.26 -2.77 120.64 124.17 1eal n GLU 11 Ca -0.04 -3.42 -0.12 0.00 -0.01 0.00 0.00 57.16 53.57 1eal n GLU 11 Cb 0.59 2.11 -0.08 0.00 -1.01 0.00 0.00 31.44 33.05 1eal n GLU 11 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1eal s LYS 12 N -3.50 0.36 0.00 3.49 2.47 -0.88 -4.96 119.74 116.72 1eal s LYS 12 Ca 0.26 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 1eal s LYS 12 Cb 0.01 -0.51 0.00 0.00 -1.46 0.00 0.00 37.83 35.88 1eal s LYS 12 CO 0.18 -0.93 0.00 0.09 0.16 0.00 0.00 175.35 174.85 1eal n ASN 13 N 5.34 0.00 -0.87 1.43 3.02 -1.26 -3.99 115.26 118.93 1eal n ASN 13 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1eal n ASN 13 Cb 0.48 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.93 1eal n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1eal n TYR 14 N 0.00 0.27 -0.13 3.10 4.11 -1.26 -3.13 117.16 120.11 1eal n TYR 14 Ca 0.00 -0.13 -0.27 0.00 -0.00 0.00 0.00 57.90 57.49 1eal n TYR 14 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 1eal n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1eal n ASP 15 N 0.98 1.94 -0.07 9.48 2.03 -1.26 -3.65 116.55 126.00 1eal n ASP 15 Ca 0.17 0.35 -0.15 0.00 0.52 0.00 0.00 54.79 55.68 1eal n ASP 15 Cb 0.50 -0.83 -0.05 0.00 -0.72 0.00 0.00 41.12 40.01 1eal n ASP 15 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1eal h GLU 16 N -1.00 0.83 0.03 -0.67 4.39 -1.99 0.54 114.58 116.71 1eal h GLU 16 Ca -0.61 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 58.54 1eal h GLU 16 Cb 1.53 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1eal h GLU 16 CO -0.37 1.17 -0.02 0.35 -1.16 0.00 0.00 179.01 178.99 1eal h PHE 17 N 0.59 -0.04 -0.34 4.33 3.57 -1.80 -2.88 116.94 120.38 1eal h PHE 17 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1eal h PHE 17 Cb 1.16 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1eal h PHE 17 CO 0.08 0.16 -0.07 0.52 -2.23 0.00 0.00 178.31 176.77 1eal h MET 18 N -0.24 0.55 -0.14 1.11 2.86 -1.61 0.47 114.93 117.93 1eal h MET 18 Ca -0.00 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1eal h MET 18 Cb 0.22 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1eal h MET 18 CO 0.01 0.63 -0.17 -0.22 1.06 0.00 0.00 176.91 178.22 1eal h LYS 19 N 0.52 -0.20 -0.08 1.72 3.11 -0.78 0.13 116.57 120.99 1eal h LYS 19 Ca 0.10 0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.77 1eal h LYS 19 Cb 0.44 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1eal h LYS 19 CO 0.02 -0.13 -0.73 0.00 -2.81 0.00 0.00 179.45 175.80 1eal h ARG 20 N -0.21 0.43 -0.53 1.90 3.08 -1.18 -3.20 114.38 114.68 1eal h ARG 20 Ca 0.10 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1eal h ARG 20 Cb 0.36 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1eal h ARG 20 CO -0.27 0.99 0.26 1.25 -1.07 0.00 0.00 179.97 181.13 1eal h LEU 21 N 0.29 0.68 0.00 3.04 6.46 0.44 -3.48 115.31 122.75 1eal h LEU 21 Ca -0.03 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1eal h LEU 21 Cb 1.31 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1eal h LEU 21 CO 0.13 0.62 0.00 0.00 -0.62 0.00 0.00 178.44 178.57 1eal n ALA 22 N -2.31 0.00 -2.53 1.25 0.00 0.41 -5.06 120.51 112.27 1eal n ALA 22 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 1eal n ALA 22 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 1eal n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1eal s LEU 23 N 0.00 2.82 0.79 0.00 2.01 -1.24 -5.10 118.68 117.96 1eal s LEU 23 Ca 0.00 -0.65 -0.11 0.00 0.01 0.00 0.00 54.13 53.38 1eal s LEU 23 Cb 0.00 -1.52 0.07 0.00 0.01 0.00 0.00 46.19 44.74 1eal s LEU 23 CO 0.00 0.11 1.09 -2.16 1.01 0.00 0.00 176.35 176.40 1eal s PRO 24 N -2.75 2.11 0.17 1.29 0.04 -1.26 -4.74 135.00 129.86 1eal s PRO 24 Ca 0.23 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 1eal s PRO 24 Cb -0.09 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.62 1eal s PRO 24 CO 0.13 -1.66 1.82 0.77 0.04 0.00 0.00 177.00 178.11 1eal h SER 25 N -1.12 0.54 -0.61 6.66 0.02 -2.00 -1.43 113.55 115.60 1eal h SER 25 Ca -0.46 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1eal h SER 25 Cb 1.25 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1eal h SER 25 CO 0.56 0.38 0.36 -0.78 -1.14 0.00 0.00 176.83 176.21 1eal h ASP 26 N 0.64 0.56 -0.81 3.07 3.58 -1.99 0.15 116.42 121.62 1eal h ASP 26 Ca 0.19 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1eal h ASP 26 Cb -0.04 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1eal h ASP 26 CO -0.06 0.38 0.43 0.00 -2.88 0.00 0.00 179.24 177.11 1eal h ALA 27 N 1.29 1.20 0.16 -0.78 0.00 -1.73 -1.69 119.26 117.71 1eal h ALA 27 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1eal h ALA 27 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1eal h ALA 27 CO -0.13 0.63 -0.08 0.82 0.00 0.00 0.00 179.25 180.49 1eal h ILE 28 N 1.16 0.92 -0.45 0.00 2.04 -0.22 -1.66 117.51 119.29 1eal h ILE 28 Ca 0.29 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1eal h ILE 28 Cb 0.06 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1eal h ILE 28 CO -0.04 0.07 0.21 -0.78 0.00 0.00 0.00 178.15 177.62 1eal h ASP 29 N -0.36 0.30 0.40 1.72 3.58 -0.36 -1.99 116.42 119.71 1eal h ASP 29 Ca -0.02 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.32 1eal h ASP 29 Cb 0.28 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1eal h ASP 29 CO 0.04 0.21 -0.59 0.07 -2.88 0.00 0.00 179.24 176.09 1eal h LYS 30 N 0.43 0.20 -0.25 0.28 2.10 -1.31 -3.11 116.57 114.90 1eal h LYS 30 Ca 0.20 -0.13 0.06 0.00 -2.00 0.00 0.00 60.65 58.78 1eal h LYS 30 Cb 0.12 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1eal h LYS 30 CO -0.15 0.73 0.18 0.00 -2.00 0.00 0.00 179.45 178.21 1eal h ALA 31 N 1.24 2.15 -0.13 0.07 0.00 -0.51 -3.21 119.26 118.86 1eal h ALA 31 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1eal h ALA 31 Cb 1.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1eal h ALA 31 CO 0.09 -0.22 -0.03 2.89 0.00 0.00 0.00 179.25 181.98 1eal n ARG 32 N -4.48 -0.01 -2.69 0.00 1.85 -1.14 -2.00 116.66 108.19 1eal n ARG 32 Ca 0.03 0.20 -0.07 0.00 -1.00 0.00 0.00 57.85 57.01 1eal n ARG 32 Cb 0.29 -0.30 0.10 0.00 -1.05 0.00 0.00 32.46 31.49 1eal n ARG 32 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1eal n ASN 33 N -4.19 -1.18 -4.61 2.89 0.23 -1.24 -4.93 115.26 102.24 1eal n ASN 33 Ca 0.02 -2.46 -0.43 0.00 -0.53 0.00 0.00 54.58 51.18 1eal n ASN 33 Cb 0.07 0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 38.41 1eal n ASN 33 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1eal s LEU 34 N -3.31 3.57 0.78 -4.53 1.98 -0.84 -4.90 118.68 111.42 1eal s LEU 34 Ca 0.22 1.57 -0.11 0.00 -2.89 0.00 0.00 54.13 52.91 1eal s LEU 34 Cb 0.41 -3.52 0.06 0.00 0.66 0.00 0.00 46.19 43.80 1eal s LEU 34 CO -0.07 -1.70 1.09 -1.59 -1.89 0.00 0.00 176.35 172.19 1eal s LYS 35 N 5.69 2.24 -0.05 1.98 0.00 -1.26 -5.02 119.74 123.31 1eal s LYS 35 Ca 0.85 0.74 -0.05 0.00 0.00 0.00 0.00 55.97 57.52 1eal s LYS 35 Cb -0.27 -1.93 0.02 0.00 0.00 0.00 0.00 37.83 35.65 1eal s LYS 35 CO 0.34 -1.54 0.14 0.42 0.00 0.00 0.00 175.35 174.71 1eal s ILE 36 N -3.11 -0.00 -0.05 3.79 1.01 -1.26 -4.30 121.20 117.27 1eal s ILE 36 Ca 0.60 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1eal s ILE 36 Cb -0.15 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 1eal s ILE 36 CO 0.55 0.01 0.25 -0.63 0.00 0.00 0.00 174.94 175.11 1eal s ILE 37 N 0.18 5.32 0.29 2.92 1.01 -1.18 -2.27 121.20 127.47 1eal s ILE 37 Ca -0.01 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.11 1eal s ILE 37 Cb -0.02 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1eal s ILE 37 CO -0.00 0.54 -0.15 -0.55 0.00 0.00 0.00 174.94 174.78 1eal s SER 38 N -1.22 3.39 -0.07 3.58 0.15 0.64 -1.90 113.70 118.27 1eal s SER 38 Ca 0.21 -1.09 -0.30 0.00 0.70 0.00 0.00 55.95 55.46 1eal s SER 38 Cb -0.14 -0.28 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 1eal s SER 38 CO 0.10 -0.10 0.78 -0.70 1.20 0.00 0.00 173.24 174.52 1eal s GLU 39 N -3.58 0.92 0.01 5.44 2.12 -0.04 0.06 118.70 123.63 1eal s GLU 39 Ca 0.29 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 1eal s GLU 39 Cb -0.01 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.80 1eal s GLU 39 CO 0.14 -0.30 0.03 0.08 -0.54 0.00 0.00 175.26 174.67 1eal s VAL 40 N -1.35 0.09 0.04 3.70 1.01 -0.09 -1.02 120.40 122.78 1eal s VAL 40 Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1eal s VAL 40 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1eal s VAL 40 CO 0.06 -0.40 -0.06 -0.75 0.00 0.00 0.00 175.10 173.94 1eal s LYS 41 N -1.25 0.51 0.04 2.72 2.20 -0.35 -1.44 119.74 122.17 1eal s LYS 41 Ca -0.14 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1eal s LYS 41 Cb -0.08 -0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1eal s LYS 41 CO -0.00 0.02 -0.12 -1.14 -0.36 0.00 0.00 175.35 173.74 1eal s GLN 42 N -1.85 0.83 0.00 4.03 0.74 -1.26 -0.26 119.66 121.89 1eal s GLN 42 Ca -0.09 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1eal s GLN 42 Cb -0.08 -0.80 0.00 0.00 1.10 0.00 0.00 33.01 33.23 1eal s GLN 42 CO -0.01 0.20 0.00 -3.47 -0.55 0.00 0.00 175.29 171.46 1eal n ASP 43 N 1.92 0.00 0.00 6.67 -0.08 -0.34 -4.98 116.55 119.74 1eal n ASP 43 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1eal n ASP 43 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1eal n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1eal n GLY 44 N 5.00 1.77 0.74 0.27 0.00 -1.26 -4.67 105.19 107.04 1eal n GLY 44 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1eal n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLN 45 N -0.41 1.73 -3.85 1.61 10.64 -1.26 -4.98 117.38 120.85 1eal n GLN 45 Ca 0.00 -3.13 -0.36 0.00 -1.83 0.00 0.00 57.00 51.69 1eal n GLN 45 Cb 0.00 -1.69 -0.13 0.00 -0.86 0.00 0.00 30.24 27.56 1eal n GLN 45 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1eal s ASN 46 N -2.85 4.74 0.28 2.61 3.84 -1.26 -2.23 114.94 120.08 1eal s ASN 46 Ca 0.40 -0.75 -0.03 0.00 0.21 0.00 0.00 52.86 52.69 1eal s ASN 46 Cb 0.37 -1.78 -0.05 0.00 -0.55 0.00 0.00 41.25 39.24 1eal s ASN 46 CO -0.02 -0.15 0.52 -0.36 -2.79 0.00 0.00 177.10 174.30 1eal s PHE 47 N 1.43 3.48 -0.29 0.43 0.40 0.11 -1.20 117.98 122.34 1eal s PHE 47 Ca 0.02 0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 56.85 1eal s PHE 47 Cb -0.17 -2.02 0.10 0.00 0.51 0.00 0.00 43.02 41.44 1eal s PHE 47 CO -0.01 0.20 0.11 0.99 0.70 0.00 0.00 175.22 177.22 1eal s THR 48 N -2.09 0.32 0.11 0.64 2.01 0.65 -1.97 115.64 115.30 1eal s THR 48 Ca 0.42 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1eal s THR 48 Cb -0.11 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1eal s THR 48 CO 0.31 -0.67 0.16 0.86 -0.69 0.00 0.00 174.62 174.59 1eal s TRP 49 N 1.91 3.31 -0.24 4.92 -0.11 0.06 -1.21 118.94 127.58 1eal s TRP 49 Ca 0.09 0.10 -0.05 0.00 1.22 0.00 0.00 56.10 57.46 1eal s TRP 49 Cb -0.17 -1.64 0.12 0.00 -1.50 0.00 0.00 33.47 30.29 1eal s TRP 49 CO -0.30 0.54 0.44 -1.54 -4.62 0.00 0.00 176.95 171.46 1eal s SER 50 N -2.73 -0.24 -0.07 5.86 1.04 -0.19 -1.90 113.70 115.47 1eal s SER 50 Ca 0.32 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.45 1eal s SER 50 Cb -0.12 1.41 -0.03 0.00 0.10 0.00 0.00 66.02 67.39 1eal s SER 50 CO 0.25 -0.26 -0.10 -1.10 0.98 0.00 0.00 173.24 173.00 1eal s GLN 51 N 2.63 2.77 -0.15 4.02 -0.21 -0.71 -0.86 119.66 127.16 1eal s GLN 51 Ca 0.07 -0.62 -0.03 0.00 0.02 0.00 0.00 55.36 54.80 1eal s GLN 51 Cb -0.14 -2.53 0.05 0.00 1.00 0.00 0.00 33.01 31.40 1eal s GLN 51 CO -0.15 0.57 0.04 -0.65 -2.12 0.00 0.00 175.29 172.98 1eal s GLN 52 N -0.58 0.51 0.25 2.91 -0.21 -0.80 -1.21 119.66 120.52 1eal s GLN 52 Ca 0.08 -0.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1eal s GLN 52 Cb -0.12 -1.72 -0.09 0.00 1.00 0.00 0.00 33.01 32.08 1eal s GLN 52 CO 0.02 -0.55 1.28 0.71 -2.12 0.00 0.00 175.29 174.62 1eal s TYR 53 N 1.95 3.24 0.39 0.91 1.51 -1.20 -3.09 117.35 121.06 1eal s TYR 53 Ca 0.01 1.34 0.19 0.00 -1.01 0.00 0.00 57.07 57.61 1eal s TYR 53 Cb -0.15 -3.58 1.15 0.00 -0.11 0.00 0.00 41.96 39.26 1eal s TYR 53 CO -0.07 -1.69 1.72 -1.35 -1.11 0.00 0.00 175.55 173.05 1eal h PRO 54 N 4.59 0.33 -7.08 -1.71 0.11 -1.86 -3.42 132.00 122.97 1eal h PRO 54 Ca -0.46 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.16 1eal h PRO 54 Cb 1.22 -0.07 0.22 0.00 0.11 0.00 0.00 31.00 32.47 1eal h PRO 54 CO 0.72 0.22 -0.13 0.41 -0.21 0.00 0.00 178.00 179.01 1eal n GLY 55 N -1.44 -1.70 0.39 -0.55 0.00 -1.26 -4.85 105.19 95.78 1eal n GLY 55 Ca 0.29 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 45.51 1eal n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1eal h GLY 56 N -2.37 1.32 -1.74 -0.02 0.00 -2.03 -3.42 103.07 94.81 1eal h GLY 56 Ca -0.55 -0.24 -0.52 0.00 0.00 0.00 0.00 47.33 46.02 1eal h GLY 56 CO 0.45 -0.11 0.38 -1.58 0.00 0.00 0.00 176.54 175.69 1eal s HIS 57 N -5.58 2.45 0.07 5.60 5.65 -1.26 -4.97 115.29 117.25 1eal s HIS 57 Ca -0.09 1.57 -0.18 0.00 0.25 0.00 0.00 55.06 56.61 1eal s HIS 57 Cb 0.25 -3.26 0.04 0.00 -1.18 0.00 0.00 32.58 28.42 1eal s HIS 57 CO 0.80 -1.95 0.41 0.45 -0.65 0.00 0.00 174.74 173.80 1eal s SER 58 N -2.37 -0.27 -0.51 9.88 0.15 -1.26 -3.23 113.70 116.08 1eal s SER 58 Ca 0.69 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.30 1eal s SER 58 Cb -0.23 0.44 0.13 0.00 -1.71 0.00 0.00 66.02 64.65 1eal s SER 58 CO 0.42 -0.72 0.26 -0.63 1.20 0.00 0.00 173.24 173.77 1eal s ILE 59 N -2.84 2.54 -0.06 6.45 1.01 -0.35 -4.98 121.20 122.97 1eal s ILE 59 Ca -0.03 -3.29 -0.03 0.00 0.00 0.00 0.00 60.65 57.31 1eal s ILE 59 Cb -0.00 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1eal s ILE 59 CO -0.05 -0.80 0.09 -0.89 0.00 0.00 0.00 174.94 173.29 1eal s THR 60 N -0.26 4.93 0.10 2.92 2.01 -1.26 -1.73 115.64 122.34 1eal s THR 60 Ca 0.17 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1eal s THR 60 Cb -0.26 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1eal s THR 60 CO -0.00 0.49 0.16 0.20 -0.69 0.00 0.00 174.62 174.78 1eal s ASN 61 N -1.34 0.18 -0.11 3.53 -0.87 -0.80 -4.85 114.94 110.68 1eal s ASN 61 Ca 0.19 -0.79 -0.07 0.00 -1.57 0.00 0.00 52.86 50.61 1eal s ASN 61 Cb -0.12 0.33 0.04 0.00 -0.02 0.00 0.00 41.25 41.48 1eal s ASN 61 CO 0.09 -0.74 0.26 -0.89 -2.57 0.00 0.00 177.10 173.25 1eal s THR 62 N -3.90 -0.02 0.15 1.60 2.01 -1.26 -0.76 115.64 113.46 1eal s THR 62 Ca 0.09 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1eal s THR 62 Cb 0.05 -0.39 0.07 0.00 0.01 0.00 0.00 72.50 72.24 1eal s THR 62 CO -0.08 0.03 0.67 0.72 -0.69 0.00 0.00 174.62 175.28 1eal s PHE 63 N 0.80 -0.44 0.15 4.92 -0.12 -0.83 -4.72 117.98 117.74 1eal s PHE 63 Ca -0.05 0.20 0.05 0.00 -0.05 0.00 0.00 56.93 57.08 1eal s PHE 63 Cb -0.07 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1eal s PHE 63 CO -0.05 -0.87 0.09 0.95 -0.05 0.00 0.00 175.22 175.29 1eal s THR 64 N -3.67 4.31 0.28 -4.49 -4.23 -1.26 0.04 115.64 106.62 1eal s THR 64 Ca 0.04 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.16 1eal s THR 64 Cb -0.02 -3.17 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 1eal s THR 64 CO -0.09 -0.06 1.00 -0.63 -0.54 0.00 0.00 174.62 174.30 1eal s ILE 65 N -1.67 3.88 0.00 2.99 -1.09 -0.94 -4.61 121.20 119.75 1eal s ILE 65 Ca 0.30 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 1eal s ILE 65 Cb -0.10 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1eal s ILE 65 CO 0.22 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1eal n GLY 66 N 1.11 0.54 7.00 6.18 0.00 -0.97 -4.83 105.19 114.22 1eal n GLY 66 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1eal n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1eal n LYS 67 N 0.00 0.00 -3.56 1.61 4.81 -1.26 -4.53 118.16 115.23 1eal n LYS 67 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1eal n LYS 67 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1eal n LYS 67 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1eal s GLU 68 N 0.00 0.74 0.29 1.64 2.12 -1.26 -4.76 118.70 117.47 1eal s GLU 68 Ca 0.00 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.56 1eal s GLU 68 Cb 0.00 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.72 1eal s GLU 68 CO 0.00 -0.22 0.31 0.00 -0.54 0.00 0.00 175.26 174.80 1eal s ASP 70 N -3.25 2.44 0.12 0.00 1.01 -1.26 -1.00 116.67 114.72 1eal s ASP 70 Ca 0.36 -0.74 0.07 0.00 0.71 0.00 0.00 52.55 52.96 1eal s ASP 70 Cb 0.03 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 1eal s ASP 70 CO 0.20 0.00 -0.17 -0.63 0.21 0.00 0.00 175.17 174.78 1eal s ILE 71 N -1.49 1.54 -0.40 0.77 -1.09 -0.84 -4.78 121.20 114.91 1eal s ILE 71 Ca 0.08 -1.65 0.03 0.00 -2.23 0.00 0.00 60.65 56.89 1eal s ILE 71 Cb -0.08 -1.55 0.16 0.00 -1.58 0.00 0.00 42.46 39.41 1eal s ILE 71 CO 0.05 -0.25 0.37 -0.70 -1.23 0.00 0.00 174.94 173.17 1eal s GLU 72 N -2.31 0.79 0.00 2.79 2.12 -1.26 0.13 118.70 120.95 1eal s GLU 72 Ca 0.08 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.86 1eal s GLU 72 Cb -0.08 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.24 1eal s GLU 72 CO 0.04 -1.30 0.53 2.41 -0.54 0.00 0.00 175.26 176.40 1eal n THR 73 N 3.42 0.00 -0.10 -1.70 -1.04 -1.26 -4.67 114.28 108.93 1eal n THR 73 Ca 0.21 1.00 -0.16 0.00 -2.04 0.00 0.00 64.05 63.05 1eal n THR 73 Cb 0.46 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 1eal n THR 73 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1eal n ILE 74 N -1.82 1.50 0.00 12.58 2.08 -1.26 -4.74 119.36 127.69 1eal n ILE 74 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1eal n ILE 74 Cb 0.00 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 36.72 1eal n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1eal n GLY 75 N 1.44 2.43 2.46 7.39 0.00 -1.26 -4.99 105.19 112.65 1eal n GLY 75 Ca -0.27 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1eal n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 76 N -0.29 1.01 2.27 -0.02 0.00 -1.26 -4.91 105.19 102.00 1eal n GLY 76 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1eal n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eal n LYS 77 N -1.95 1.20 -2.18 1.61 5.02 -1.26 -5.10 118.16 115.50 1eal n LYS 77 Ca -0.09 -3.57 -0.39 0.00 -2.02 0.00 0.00 58.31 52.24 1eal n LYS 77 Cb 0.39 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1eal n LYS 77 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1eal s LYS 78 N -1.87 4.00 0.25 1.97 2.20 -1.26 -4.18 119.74 120.84 1eal s LYS 78 Ca 0.38 1.98 0.03 0.00 -0.36 0.00 0.00 55.97 58.00 1eal s LYS 78 Cb 0.23 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1eal s LYS 78 CO -0.09 -0.41 0.01 -0.06 -0.36 0.00 0.00 175.35 174.45 1eal s PHE 79 N -1.34 1.63 0.12 4.03 0.08 0.12 -4.98 117.98 117.64 1eal s PHE 79 Ca 0.57 -0.95 0.08 0.00 0.12 0.00 0.00 56.93 56.75 1eal s PHE 79 Cb -0.34 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1eal s PHE 79 CO 0.43 -0.05 -0.10 0.15 -0.10 0.00 0.00 175.22 175.55 1eal s LYS 80 N -3.88 2.09 -0.20 0.44 1.02 -1.26 -1.98 119.74 115.96 1eal s LYS 80 Ca 0.31 -1.09 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 1eal s LYS 80 Cb 0.06 -2.26 0.07 0.00 -0.52 0.00 0.00 37.83 35.18 1eal s LYS 80 CO 0.10 0.49 0.68 0.00 -0.92 0.00 0.00 175.35 175.70 1eal s ALA 81 N -1.33 -1.71 -0.88 5.17 0.00 -0.17 -4.45 121.76 118.39 1eal s ALA 81 Ca 0.22 1.77 -0.09 0.00 0.00 0.00 0.00 51.96 53.85 1eal s ALA 81 Cb -0.10 -0.82 0.23 0.00 0.00 0.00 0.00 23.12 22.42 1eal s ALA 81 CO 0.14 -0.34 0.80 0.95 0.00 0.00 0.00 175.76 177.32 1eal s THR 82 N -0.06 5.22 0.32 0.00 -4.23 -1.26 -1.11 115.64 114.53 1eal s THR 82 Ca -0.03 -3.00 -0.28 0.00 -1.18 0.00 0.00 61.69 57.20 1eal s THR 82 Cb -0.04 -4.22 -0.13 0.00 1.34 0.00 0.00 72.50 69.45 1eal s THR 82 CO 0.03 -1.05 1.14 0.52 -0.54 0.00 0.00 174.62 174.72 1eal n VAL 83 N 3.32 2.04 -4.34 2.29 0.31 -1.26 -4.57 118.33 116.12 1eal n VAL 83 Ca 0.17 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.82 1eal n VAL 83 Cb 0.42 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.98 1eal n VAL 83 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1eal s GLN 84 N -1.74 1.38 -0.02 5.55 -0.21 -0.71 -2.30 119.66 121.61 1eal s GLN 84 Ca 0.58 -1.72 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1eal s GLN 84 Cb -0.63 -0.53 0.02 0.00 1.00 0.00 0.00 33.01 32.86 1eal s GLN 84 CO 0.61 -0.16 -0.01 1.41 -2.12 0.00 0.00 175.29 175.02 1eal s MET 85 N -3.91 0.29 -0.03 2.91 1.75 -1.26 -1.07 119.30 117.97 1eal s MET 85 Ca 0.31 0.00 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 1eal s MET 85 Cb 0.07 -0.39 0.03 0.00 2.84 0.00 0.00 34.83 37.38 1eal s MET 85 CO 0.10 -0.06 0.05 -1.21 -0.65 0.00 0.00 175.02 173.25 1eal s GLU 86 N 0.59 -0.04 3.08 4.11 2.02 -0.90 -4.99 118.70 122.57 1eal s GLU 86 Ca -0.06 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1eal s GLU 86 Cb -0.09 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1eal s GLU 86 CO -0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1eal n GLY 87 N 4.46 0.27 2.65 -1.39 0.00 -1.26 -3.12 105.19 106.80 1eal n GLY 87 Ca -0.22 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1eal n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 88 N 0.00 5.40 3.23 -0.02 0.00 -1.26 -4.89 105.19 107.64 1eal n GLY 88 Ca 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 1eal n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eal s LYS 89 N -3.01 0.31 0.25 1.61 2.20 -1.18 -3.82 119.74 116.10 1eal s LYS 89 Ca 0.50 0.97 -0.17 0.00 -0.36 0.00 0.00 55.97 56.91 1eal s LYS 89 Cb 0.30 0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.78 1eal s LYS 89 CO -0.22 -0.25 0.70 0.54 -0.36 0.00 0.00 175.35 175.77 1eal s VAL 90 N 2.45 4.65 0.15 4.02 0.11 -0.46 -2.11 120.40 129.22 1eal s VAL 90 Ca -0.02 1.08 0.07 0.00 -2.93 0.00 0.00 61.98 60.18 1eal s VAL 90 Cb -0.12 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1eal s VAL 90 CO -0.12 0.06 -0.16 0.68 -3.33 0.00 0.00 175.10 172.23 1eal s VAL 91 N -1.69 1.59 0.06 2.04 -7.23 -0.23 -1.69 120.40 113.25 1eal s VAL 91 Ca 0.46 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1eal s VAL 91 Cb -0.14 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1eal s VAL 91 CO 0.20 -0.39 -0.06 0.68 -0.31 0.00 0.00 175.10 175.22 1eal s VAL 92 N -2.19 0.47 -0.01 1.32 -7.23 0.12 -1.73 120.40 111.15 1eal s VAL 92 Ca 0.13 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1eal s VAL 92 Cb -0.05 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1eal s VAL 92 CO 0.05 -0.62 0.00 0.54 -0.31 0.00 0.00 175.10 174.76 1eal s ASN 93 N -2.14 0.10 0.07 4.85 4.22 -1.26 -2.26 114.94 118.52 1eal s ASN 93 Ca -0.03 -0.00 0.00 0.00 -2.14 0.00 0.00 52.86 50.69 1eal s ASN 93 Cb -0.03 -0.04 -0.04 0.00 1.28 0.00 0.00 41.25 42.42 1eal s ASN 93 CO -0.03 -0.03 -0.04 -0.44 -2.04 0.00 0.00 177.10 174.52 1eal s SER 94 N 0.31 0.73 0.30 3.54 0.01 -1.25 -4.01 113.70 113.33 1eal s SER 94 Ca -0.03 -0.99 0.04 0.00 1.31 0.00 0.00 55.95 56.28 1eal s SER 94 Cb -0.04 0.16 0.77 0.00 0.21 0.00 0.00 66.02 67.12 1eal s SER 94 CO -0.01 -0.54 1.63 -0.65 0.41 0.00 0.00 173.24 174.08 1eal h PRO 95 N 3.11 0.15 -0.90 12.44 0.11 -2.00 -3.25 132.00 141.67 1eal h PRO 95 Ca -0.34 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.41 1eal h PRO 95 Cb 1.15 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 31.90 1eal h PRO 95 CO 0.65 0.10 -0.96 0.09 -0.21 0.00 0.00 178.00 177.67 1eal n ASN 96 N -5.27 0.31 -2.70 -2.05 3.02 -1.26 -4.96 115.26 102.35 1eal n ASN 96 Ca 0.23 -2.79 -0.06 0.00 -0.03 0.00 0.00 54.58 51.93 1eal n ASN 96 Cb 0.75 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.96 1eal n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1eal n TYR 97 N -0.08 -1.54 -2.30 3.10 9.36 -1.23 -4.90 117.16 119.58 1eal n TYR 97 Ca 0.09 -1.04 -0.37 0.00 3.32 0.00 0.00 57.90 59.90 1eal n TYR 97 Cb 0.79 1.25 -0.01 0.00 -0.63 0.00 0.00 39.34 40.74 1eal n TYR 97 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1eal s HIS 98 N 0.38 2.89 -0.01 2.98 5.65 0.18 -3.80 115.29 123.57 1eal s HIS 98 Ca 0.28 1.55 -0.18 0.00 0.25 0.00 0.00 55.06 56.96 1eal s HIS 98 Cb 0.20 -3.32 0.03 0.00 -1.18 0.00 0.00 32.58 28.31 1eal s HIS 98 CO -0.13 -1.39 0.38 -1.58 -0.65 0.00 0.00 174.74 171.37 1eal s HIS 99 N -1.61 -0.26 0.13 3.88 5.04 -0.96 -1.19 115.29 120.32 1eal s HIS 99 Ca 0.64 0.39 -0.11 0.00 -1.54 0.00 0.00 55.06 54.45 1eal s HIS 99 Cb -0.27 0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.52 1eal s HIS 99 CO 0.32 -0.45 0.29 0.95 -2.34 0.00 0.00 174.74 173.51 1eal s THR 100 N -1.48 0.09 0.07 0.89 -4.23 -1.09 0.14 115.64 110.03 1eal s THR 100 Ca -0.12 -1.13 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1eal s THR 100 Cb -0.04 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1eal s THR 100 CO 0.04 -0.42 0.10 0.00 -0.54 0.00 0.00 174.62 173.80 1eal s ALA 101 N -3.89 0.07 -0.01 3.99 0.00 -0.68 -2.10 121.76 119.14 1eal s ALA 101 Ca 0.10 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1eal s ALA 101 Cb 0.03 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1eal s ALA 101 CO -0.06 -0.44 0.40 -2.00 0.00 0.00 0.00 175.76 173.65 1eal s GLU 102 N -3.81 0.79 -0.12 0.00 2.56 0.40 -1.35 118.70 117.16 1eal s GLU 102 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 54.97 54.91 1eal s GLU 102 Cb 0.06 0.35 0.01 0.00 2.00 0.00 0.00 34.13 36.55 1eal s GLU 102 CO -0.10 -0.23 -0.22 0.42 -0.56 0.00 0.00 175.26 174.57 1eal s ILE 103 N -1.53 1.97 0.02 -3.70 -1.09 -1.25 -0.91 121.20 114.72 1eal s ILE 103 Ca -0.11 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 1eal s ILE 103 Cb -0.03 -1.73 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1eal s ILE 103 CO 0.04 0.54 0.28 0.68 -1.23 0.00 0.00 174.94 175.24 1eal s VAL 104 N 0.63 0.08 -1.45 2.92 -7.23 -0.80 -4.94 120.40 109.62 1eal s VAL 104 Ca -0.12 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.27 1eal s VAL 104 Cb -0.16 -0.79 0.11 0.00 0.56 0.00 0.00 36.38 36.10 1eal s VAL 104 CO 0.03 -0.36 0.63 0.47 -0.31 0.00 0.00 175.10 175.57 1eal n ASP 105 N 0.89 -3.48 -3.68 4.85 8.00 -1.26 0.11 116.55 121.97 1eal n ASP 105 Ca -0.20 -0.67 -0.27 0.00 0.71 0.00 0.00 54.79 54.36 1eal n ASP 105 Cb 0.58 -2.87 0.04 0.00 -0.02 0.00 0.00 41.12 38.85 1eal n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1eal n GLY 106 N -1.26 -0.51 3.21 0.44 0.00 -1.26 -4.99 105.19 100.82 1eal n GLY 106 Ca 0.03 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1eal n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 107 N -6.39 1.12 -0.16 1.61 1.02 0.12 -4.58 119.74 112.47 1eal s LYS 107 Ca 0.58 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.00 1eal s LYS 107 Cb -0.28 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1eal s LYS 107 CO 0.72 -0.26 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.60 1eal s LEU 108 N -3.15 2.62 0.09 3.17 0.20 -0.94 -1.91 118.68 118.77 1eal s LEU 108 Ca 0.30 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.76 1eal s LEU 108 Cb 0.07 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 1eal s LEU 108 CO 0.07 0.08 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.43 1eal s VAL 109 N 0.87 3.46 0.10 1.68 1.01 -0.09 -0.90 120.40 126.53 1eal s VAL 109 Ca -0.03 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 1eal s VAL 109 Cb -0.15 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1eal s VAL 109 CO -0.00 0.14 0.48 -0.70 0.00 0.00 0.00 175.10 175.01 1eal s GLU 110 N -2.14 1.08 0.14 2.72 2.12 -0.44 -0.46 118.70 121.73 1eal s GLU 110 Ca 0.21 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1eal s GLU 110 Cb -0.11 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1eal s GLU 110 CO 0.14 -0.42 0.14 0.14 -0.54 0.00 0.00 175.26 174.71 1eal s VAL 111 N -3.24 0.09 -0.01 3.70 -7.23 -0.89 -0.69 120.40 112.13 1eal s VAL 111 Ca -0.01 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1eal s VAL 111 Cb 0.00 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.99 1eal s VAL 111 CO -0.08 -0.42 0.07 -0.44 -0.31 0.00 0.00 175.10 173.92 1eal s SER 112 N -3.01 0.05 0.04 4.85 0.01 -1.14 -2.68 113.70 111.82 1eal s SER 112 Ca 0.21 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.15 1eal s SER 112 Cb 0.06 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.48 1eal s SER 112 CO 0.01 -0.22 0.38 -0.89 0.41 0.00 0.00 173.24 172.93 1eal s THR 113 N -0.86 0.06 -0.39 1.44 2.01 -0.33 -0.16 115.64 117.41 1eal s THR 113 Ca -0.09 -0.51 0.11 0.00 0.31 0.00 0.00 61.69 61.50 1eal s THR 113 Cb -0.06 -0.93 0.34 0.00 0.01 0.00 0.00 72.50 71.86 1eal s THR 113 CO 0.00 -0.28 0.80 0.55 -0.69 0.00 0.00 174.62 175.00 1eal n VAL 114 N 0.56 -0.15 -3.60 3.82 3.14 -0.92 -0.64 118.33 120.54 1eal n VAL 114 Ca -0.19 -4.02 -0.25 0.00 -2.96 0.00 0.00 64.34 56.92 1eal n VAL 114 Cb 0.59 0.04 0.04 0.00 -1.06 0.00 0.00 33.84 33.45 1eal n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1eal n GLY 115 N 0.32 -0.84 0.00 7.55 0.00 -1.26 -4.18 105.19 106.77 1eal n GLY 115 Ca 0.21 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1eal n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 116 N -1.57 2.21 3.80 -0.02 0.00 -1.26 -5.10 105.19 103.25 1eal n GLY 116 Ca -0.14 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1eal n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eal s VAL 117 N 0.00 5.03 0.36 1.61 1.01 -1.26 -5.09 120.40 122.06 1eal s VAL 117 Ca 0.00 0.92 0.08 0.00 0.00 0.00 0.00 61.98 62.98 1eal s VAL 117 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1eal s VAL 117 CO 0.00 0.51 0.18 -0.94 0.00 0.00 0.00 175.10 174.85 1eal s SER 118 N -0.63 4.68 -0.40 3.32 1.04 -1.26 -2.17 113.70 118.29 1eal s SER 118 Ca 0.25 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 55.95 1eal s SER 118 Cb -0.17 -0.67 0.29 0.00 0.10 0.00 0.00 66.02 65.57 1eal s SER 118 CO 0.13 -0.38 0.67 0.00 0.98 0.00 0.00 173.24 174.65 1eal n TYR 119 N -1.21 -0.61 -1.68 5.02 9.36 0.77 -4.79 117.16 124.03 1eal n TYR 119 Ca -0.02 -3.39 -0.39 0.00 3.32 0.00 0.00 57.90 57.41 1eal n TYR 119 Cb 0.62 -0.06 0.03 0.00 -0.63 0.00 0.00 39.34 39.30 1eal n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1eal n GLU 120 N 0.94 1.45 -3.61 2.98 2.13 -1.26 -2.88 120.64 120.39 1eal n GLU 120 Ca 0.20 0.53 -0.11 0.00 0.66 0.00 0.00 57.16 58.45 1eal n GLU 120 Cb 0.60 -2.33 -0.04 0.00 0.27 0.00 0.00 31.44 29.93 1eal n GLU 120 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1eal s ARG 121 N -2.57 1.09 0.10 5.31 1.70 0.14 -2.07 118.95 122.64 1eal s ARG 121 Ca 0.69 -0.68 -0.01 0.00 -0.47 0.00 0.00 55.73 55.27 1eal s ARG 121 Cb -0.46 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1eal s ARG 121 CO 0.51 -0.43 0.01 0.14 -1.08 0.00 0.00 175.30 174.46 1eal s VAL 122 N -3.78 0.24 0.01 4.99 -7.23 -1.12 -1.33 120.40 112.19 1eal s VAL 122 Ca 0.03 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1eal s VAL 122 Cb 0.02 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 35.18 1eal s VAL 122 CO -0.12 -0.70 0.50 -0.44 -0.31 0.00 0.00 175.10 174.03 1eal s SER 123 N -3.01 -0.41 0.39 4.85 0.01 -0.08 -3.34 113.70 112.10 1eal s SER 123 Ca 0.17 0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1eal s SER 123 Cb 0.07 0.45 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 1eal s SER 123 CO -0.03 -0.62 0.55 -0.54 0.41 0.00 0.00 173.24 173.02 1eal s LYS 124 N -1.87 3.05 0.19 12.44 -0.14 0.94 -2.20 119.74 132.14 1eal s LYS 124 Ca -0.09 -0.85 0.09 0.00 -1.36 0.00 0.00 55.97 53.75 1eal s LYS 124 Cb -0.02 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 1eal s LYS 124 CO 0.03 -0.10 -0.06 0.21 -0.76 0.00 0.00 175.35 174.66 1eal s LYS 125 N -4.33 2.17 -0.39 1.68 2.20 -1.26 -1.20 119.74 118.61 1eal s LYS 125 Ca 0.47 -1.25 0.10 0.00 -0.36 0.00 0.00 55.97 54.94 1eal s LYS 125 Cb -0.10 -2.21 0.39 0.00 -1.51 0.00 0.00 37.83 34.41 1eal s LYS 125 CO 0.34 0.43 1.25 1.47 -0.36 0.00 0.00 175.35 178.47 1eal n LEU 126 N -0.11 -1.29 0.00 5.43 -0.00 -1.22 -4.86 117.00 114.94 1eal n LEU 126 Ca -0.10 -3.57 0.00 0.00 -0.00 0.00 0.00 56.01 52.34 1eal n LEU 126 Cb 0.56 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 1eal n LEU 126 CO 0.37 1.87 0.00 0.00 -0.00 0.00 0.00 177.39 179.62