#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1din s LEU 2 N 0.00 2.48 -0.26 3.17 1.43 -1.26 -4.56 118.68 119.68 1din s LEU 2 Ca 0.00 -0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 51.93 1din s LEU 2 Cb 0.00 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1din s LEU 2 CO 0.00 -0.08 0.89 -0.89 0.23 0.00 0.00 176.35 176.51 1din s THR 3 N -2.33 4.76 0.40 5.49 2.01 0.00 -4.91 115.64 121.05 1din s THR 3 Ca 0.18 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.51 1din s THR 3 Cb -0.04 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.17 1din s THR 3 CO 0.07 -0.18 1.40 1.21 -0.69 0.00 0.00 174.62 176.43 1din n GLU 4 N 6.21 2.35 0.00 4.92 2.13 -1.26 -2.74 120.64 132.25 1din n GLU 4 Ca 0.07 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1din n GLU 4 Cb 0.47 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1din n GLU 4 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1din n GLY 5 N 0.60 2.70 3.71 8.31 0.00 -1.26 -5.02 105.19 114.23 1din n GLY 5 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1din n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1din s ILE 6 N -2.18 4.64 -0.08 -0.61 -1.09 -1.11 -5.01 121.20 115.77 1din s ILE 6 Ca 0.00 1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 60.33 1din s ILE 6 Cb 0.00 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1din s ILE 6 CO 0.00 0.17 0.16 -0.55 -1.23 0.00 0.00 174.94 173.49 1din s SER 7 N 0.86 0.60 -0.10 3.58 0.15 -1.26 -4.23 113.70 113.30 1din s SER 7 Ca 0.52 0.32 0.01 0.00 0.70 0.00 0.00 55.95 57.51 1din s SER 7 Cb -0.23 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1din s SER 7 CO 0.29 -0.23 -0.12 -0.63 1.20 0.00 0.00 173.24 173.75 1din s ILE 8 N 2.09 3.19 -0.19 6.45 1.01 0.11 -4.90 121.20 128.96 1din s ILE 8 Ca 0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1din s ILE 8 Cb -0.12 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1din s ILE 8 CO -0.06 0.55 0.32 -1.58 0.00 0.00 0.00 174.94 174.17 1din s GLN 9 N -0.05 4.21 0.62 2.79 0.74 -1.26 -0.36 119.66 126.35 1din s GLN 9 Ca -0.02 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.50 1din s GLN 9 Cb -0.14 -3.48 0.08 0.00 1.10 0.00 0.00 33.01 30.57 1din s GLN 9 CO 0.04 0.11 0.87 0.45 -0.55 0.00 0.00 175.29 176.20 1din s SER 10 N 0.77 4.87 0.55 6.67 0.15 0.17 -4.87 113.70 122.01 1din s SER 10 Ca 0.17 -0.23 0.32 0.00 0.70 0.00 0.00 55.95 56.90 1din s SER 10 Cb -0.14 -0.41 1.48 0.00 -1.71 0.00 0.00 66.02 65.24 1din s SER 10 CO 0.06 -1.46 1.86 0.10 1.20 0.00 0.00 173.24 175.00 1din h TYR 11 N -0.17 0.00 -0.35 3.44 -0.00 -1.85 0.37 116.97 118.41 1din h TYR 11 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.34 1din h TYR 11 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 1din h TYR 11 CO 0.14 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.90 1din n ASP 12 N -4.11 4.03 0.00 0.10 5.75 -1.26 -4.93 116.55 116.12 1din n ASP 12 Ca 0.18 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1din n ASP 12 Cb 0.97 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1din n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1din n GLY 13 N -0.06 2.25 3.77 6.12 0.00 0.13 -5.02 105.19 112.38 1din n GLY 13 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1din n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1din s HIS 14 N -2.29 2.77 0.13 1.61 5.04 -1.26 -4.65 115.29 116.64 1din s HIS 14 Ca 0.00 1.30 0.10 0.00 -1.54 0.00 0.00 55.06 54.92 1din s HIS 14 Cb 0.00 -3.84 -0.04 0.00 0.04 0.00 0.00 32.58 28.74 1din s HIS 14 CO 0.00 -2.46 -0.22 0.95 -2.34 0.00 0.00 174.74 170.67 1din s THR 15 N -1.16 2.57 0.06 0.89 -4.23 -1.26 0.42 115.64 112.94 1din s THR 15 Ca 0.53 -1.64 -0.07 0.00 -1.18 0.00 0.00 61.69 59.33 1din s THR 15 Cb -0.43 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1din s THR 15 CO 0.57 0.08 0.14 0.72 -0.54 0.00 0.00 174.62 175.60 1din s PHE 16 N -1.13 0.19 0.37 3.99 -0.12 0.52 -4.90 117.98 116.89 1din s PHE 16 Ca 0.16 -0.57 -0.00 0.00 -0.05 0.00 0.00 56.93 56.47 1din s PHE 16 Cb -0.10 -0.11 0.07 0.00 -0.63 0.00 0.00 43.02 42.25 1din s PHE 16 CO 0.08 -0.47 0.50 0.41 -0.05 0.00 0.00 175.22 175.70 1din n GLY 17 N 0.26 0.69 3.47 1.99 0.00 -1.26 0.04 105.19 110.39 1din n GLY 17 Ca -0.16 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1din n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1din s ALA 18 N -2.98 -1.74 -0.22 4.61 0.00 -1.26 -1.33 121.76 118.85 1din s ALA 18 Ca 0.33 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1din s ALA 18 Cb -0.02 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1din s ALA 18 CO 0.22 -0.69 0.21 -1.17 0.00 0.00 0.00 175.76 174.34 1din s LEU 19 N -2.45 4.14 -0.01 0.00 2.96 -0.16 -0.82 118.68 122.34 1din s LEU 19 Ca 0.02 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1din s LEU 19 Cb -0.01 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1din s LEU 19 CO -0.09 0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.07 1din s VAL 20 N 0.99 1.84 -0.21 1.68 1.01 -1.26 0.28 120.40 124.72 1din s VAL 20 Ca 0.10 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1din s VAL 20 Cb -0.13 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.75 1din s VAL 20 CO 0.04 0.48 -0.11 -0.83 0.00 0.00 0.00 175.10 174.68 1din s GLY 21 N -0.66 1.37 0.43 4.51 0.00 0.12 -4.97 107.32 108.13 1din s GLY 21 Ca 0.09 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.27 1din s GLY 21 CO -0.00 0.66 0.93 -1.35 0.00 0.00 0.00 173.10 173.34 1din s SER 22 N 1.32 6.85 0.57 1.64 1.04 -1.26 -0.71 113.70 123.14 1din s SER 22 Ca -0.03 1.61 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 1din s SER 22 Cb -0.17 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 1din s SER 22 CO -0.08 -0.39 1.07 -2.16 0.98 0.00 0.00 173.24 172.66 1din s PRO 23 N -3.35 3.38 0.21 4.02 0.04 -1.26 -4.90 135.00 133.15 1din s PRO 23 Ca 0.60 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 1din s PRO 23 Cb -0.09 -2.03 0.21 0.00 0.04 0.00 0.00 34.50 32.62 1din s PRO 23 CO 0.17 -0.78 1.85 0.00 0.04 0.00 0.00 177.00 178.29 1din h ALA 24 N 0.77 0.96 -3.20 8.56 0.00 -1.83 -3.40 119.26 121.12 1din h ALA 24 Ca -0.48 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 1din h ALA 24 Cb 1.23 -0.23 -0.36 0.00 0.00 0.00 0.00 17.79 18.44 1din h ALA 24 CO 0.57 0.23 -0.82 0.21 0.00 0.00 0.00 179.25 179.44 1din s LYS 25 N -6.11 1.94 0.28 0.00 2.47 -1.26 -5.15 119.74 111.90 1din s LYS 25 Ca -0.13 -0.43 0.06 0.00 -1.56 0.00 0.00 55.97 53.91 1din s LYS 25 Cb 0.16 -1.80 -0.03 0.00 -1.46 0.00 0.00 37.83 34.70 1din s LYS 25 CO 0.77 -0.18 0.31 0.00 0.16 0.00 0.00 175.35 176.41 1din s ALA 26 N 1.38 3.86 0.49 3.13 0.00 -1.26 -4.31 121.76 125.05 1din s ALA 26 Ca 0.01 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1din s ALA 26 Cb -0.13 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1din s ALA 26 CO -0.06 0.15 0.84 -1.25 0.00 0.00 0.00 175.76 175.44 1din s PRO 27 N -3.97 3.63 0.15 0.00 0.04 -1.26 -5.12 135.00 128.47 1din s PRO 27 Ca 0.37 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1din s PRO 27 Cb -0.08 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1din s PRO 27 CO 0.28 -0.24 0.07 0.00 0.04 0.00 0.00 177.00 177.14 1din s ALA 28 N -2.74 0.98 0.54 8.56 0.00 0.80 -4.72 121.76 125.18 1din s ALA 28 Ca 0.50 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 1din s ALA 28 Cb -0.10 0.97 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 1din s ALA 28 CO 0.43 -0.50 1.04 -1.25 0.00 0.00 0.00 175.76 175.48 1din s PRO 29 N -4.07 3.60 -0.13 0.00 0.04 -1.26 -0.16 135.00 133.03 1din s PRO 29 Ca 0.28 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1din s PRO 29 Cb 0.07 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1din s PRO 29 CO 0.04 -0.58 -0.03 0.08 0.04 0.00 0.00 177.00 176.55 1din s VAL 30 N -2.25 3.97 -0.20 -0.36 1.01 -0.62 -1.88 120.40 120.07 1din s VAL 30 Ca 0.65 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1din s VAL 30 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1din s VAL 30 CO 0.28 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.34 1din s ILE 31 N -0.11 4.51 -0.12 2.22 -1.09 0.40 -1.73 121.20 125.28 1din s ILE 31 Ca 0.03 -0.12 -0.15 0.00 -2.23 0.00 0.00 60.65 58.17 1din s ILE 31 Cb -0.13 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 1din s ILE 31 CO 0.02 0.42 0.37 -0.69 -1.23 0.00 0.00 174.94 173.83 1din s VAL 32 N 0.82 5.23 -0.19 2.92 1.01 -0.08 -1.68 120.40 128.42 1din s VAL 32 Ca 0.03 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 1din s VAL 32 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1din s VAL 32 CO 0.02 0.41 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 1din s ILE 33 N 0.17 3.81 -0.28 2.22 1.01 0.47 -1.13 121.20 127.48 1din s ILE 33 Ca 0.21 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1din s ILE 33 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1din s ILE 33 CO 0.08 0.45 0.41 0.00 0.00 0.00 0.00 174.94 175.87 1din s ALA 34 N 0.87 3.56 0.94 9.38 0.00 0.30 -4.00 121.76 132.80 1din s ALA 34 Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1din s ALA 34 Cb -0.14 -2.77 0.16 0.00 0.00 0.00 0.00 23.12 20.37 1din s ALA 34 CO 0.02 -0.73 1.12 1.14 0.00 0.00 0.00 175.76 177.31 1din s GLN 35 N 2.13 0.81 0.00 0.00 -2.07 -1.26 -2.45 119.66 116.82 1din s GLN 35 Ca 0.16 1.36 0.00 0.00 -1.82 0.00 0.00 55.36 55.06 1din s GLN 35 Cb -0.16 -1.72 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 1din s GLN 35 CO 0.10 -2.71 0.00 0.39 -1.32 0.00 0.00 175.29 171.75 1din n GLU 36 N -4.27 0.35 0.00 9.60 1.02 -1.22 -1.12 120.64 125.01 1din n GLU 36 Ca 0.10 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 1din n GLU 36 Cb 0.53 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.62 1din n GLU 36 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1din n ILE 37 N -1.30 0.00 0.79 -3.67 -5.35 -1.26 -3.74 119.36 104.83 1din n ILE 37 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1din n ILE 37 Cb 0.00 -0.37 0.26 0.00 -1.74 0.00 0.00 39.64 37.79 1din n ILE 37 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1din n PHE 38 N -0.86 0.28 -2.83 4.28 3.72 -1.26 -4.67 117.46 116.13 1din n PHE 38 Ca 0.17 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1din n PHE 38 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1din n PHE 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1din n GLY 39 N 1.35 -1.89 3.52 1.37 0.00 -1.25 -0.43 105.19 107.87 1din n GLY 39 Ca 0.17 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1din n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1din s VAL 40 N 0.00 4.49 0.00 1.61 1.01 -1.15 -4.61 120.40 121.76 1din s VAL 40 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1din s VAL 40 Cb 0.00 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1din s VAL 40 CO 0.00 -1.80 0.00 -0.46 0.00 0.00 0.00 175.10 172.84 1din n ASN 41 N 7.26 0.91 -0.19 3.32 6.94 -1.26 -4.69 115.26 127.55 1din n ASN 41 Ca 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.92 1din n ASN 41 Cb 0.46 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.97 1din n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1din h ALA 42 N 0.43 0.74 -0.31 -2.53 0.00 -1.91 0.24 119.26 115.91 1din h ALA 42 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1din h ALA 42 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1din h ALA 42 CO 0.00 -0.13 0.06 0.35 0.00 0.00 0.00 179.25 179.53 1din h PHE 43 N 0.48 0.46 -0.49 0.00 3.57 -1.95 -0.14 116.94 118.87 1din h PHE 43 Ca 0.27 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 1din h PHE 43 Cb 0.26 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1din h PHE 43 CO -0.13 0.42 -0.16 0.52 -2.23 0.00 0.00 178.31 176.74 1din h MET 44 N 0.45 0.95 -0.52 1.11 2.86 -1.33 -1.35 114.93 117.10 1din h MET 44 Ca 0.11 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1din h MET 44 Cb 0.21 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1din h MET 44 CO -0.00 1.03 -0.03 -0.09 1.06 0.00 0.00 176.91 178.88 1din h ARG 45 N 0.83 0.91 -0.44 1.72 9.65 -0.39 -0.21 114.38 126.46 1din h ARG 45 Ca 0.12 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.65 1din h ARG 45 Cb 0.71 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 1din h ARG 45 CO 0.05 0.92 -0.02 0.93 2.80 0.00 0.00 179.97 184.66 1din h GLU 46 N 0.83 0.72 -0.39 0.20 5.08 -0.88 -0.29 114.58 119.86 1din h GLU 46 Ca 0.15 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1din h GLU 46 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1din h GLU 46 CO 0.03 0.75 -0.20 1.15 -1.00 0.00 0.00 179.01 179.74 1din h THR 47 N 0.67 1.28 0.02 1.13 2.02 -0.50 -1.66 112.91 115.88 1din h THR 47 Ca 0.13 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 66.00 1din h THR 47 Cb 0.45 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1din h THR 47 CO 0.02 0.44 -0.12 0.58 0.37 0.00 0.00 175.52 176.82 1din h VAL 48 N 0.63 0.71 -0.25 3.16 2.07 -0.83 -1.28 116.25 120.45 1din h VAL 48 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1din h VAL 48 Cb 0.75 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1din h VAL 48 CO 0.06 0.00 -0.09 0.28 0.02 0.00 0.00 177.57 177.84 1din h SER 49 N -0.21 -0.31 -0.14 0.57 0.02 -0.87 -1.73 113.55 110.87 1din h SER 49 Ca 0.04 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1din h SER 49 Cb 0.26 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1din h SER 49 CO -0.10 -0.12 -0.07 -0.25 -1.14 0.00 0.00 176.83 175.15 1din h TRP 50 N -0.04 -0.15 -0.47 3.45 7.01 -1.17 0.16 115.95 124.74 1din h TRP 50 Ca 0.13 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 1din h TRP 50 Cb 0.23 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1din h TRP 50 CO -0.28 -0.11 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.19 1din h LEU 51 N -0.05 0.76 -0.75 0.65 3.38 -0.90 -1.70 115.31 116.70 1din h LEU 51 Ca 0.08 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1din h LEU 51 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1din h LEU 51 CO -0.17 0.84 0.15 0.58 0.09 0.00 0.00 178.44 179.92 1din h VAL 52 N 0.74 1.26 -0.06 1.22 2.07 -1.01 -1.12 116.25 119.35 1din h VAL 52 Ca 0.14 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1din h VAL 52 Cb 0.46 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1din h VAL 52 CO 0.02 0.37 -0.06 0.44 0.02 0.00 0.00 177.57 178.37 1din h ASP 53 N 1.04 0.07 -0.14 0.57 3.32 0.17 -1.93 116.42 119.52 1din h ASP 53 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1din h ASP 53 Cb 0.39 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1din h ASP 53 CO 0.01 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 1din n GLN 54 N -4.42 1.50 -0.14 3.56 1.13 -0.73 -4.92 117.38 113.35 1din n GLN 54 Ca -0.02 -0.75 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 1din n GLN 54 Cb 0.16 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1din n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1din n GLY 55 N 0.98 0.93 3.83 1.08 0.00 -0.73 -5.06 105.19 106.22 1din n GLY 55 Ca 0.14 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1din n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1din s TYR 56 N -2.00 2.22 0.25 1.61 2.02 -0.50 -4.66 117.35 116.29 1din s TYR 56 Ca 0.00 -0.68 0.07 0.00 -0.37 0.00 0.00 57.07 56.08 1din s TYR 56 Cb 0.00 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1din s TYR 56 CO 0.00 -0.13 0.24 0.00 -1.57 0.00 0.00 175.55 174.08 1din s ALA 57 N -2.65 3.67 -0.05 3.71 0.00 -0.79 -3.98 121.76 121.68 1din s ALA 57 Ca 0.38 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1din s ALA 57 Cb -0.00 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1din s ALA 57 CO 0.22 0.25 0.32 0.00 0.00 0.00 0.00 175.76 176.55 1din s ALA 58 N -2.10 -0.81 -0.06 0.00 0.00 0.11 -0.45 121.76 118.45 1din s ALA 58 Ca 0.33 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1din s ALA 58 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1din s ALA 58 CO 0.26 -0.23 -0.06 0.08 0.00 0.00 0.00 175.76 175.81 1din s VAL 59 N -0.92 0.71 -0.34 0.00 1.01 -0.68 0.13 120.40 120.31 1din s VAL 59 Ca -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1din s VAL 59 Cb -0.04 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1din s VAL 59 CO 0.03 0.28 0.06 0.00 0.00 0.00 0.00 175.10 175.47 1din s PRO 61 N 0.90 3.63 -1.01 0.00 0.04 -1.26 -0.99 135.00 136.31 1din s PRO 61 Ca 0.11 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 1din s PRO 61 Cb -0.19 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1din s PRO 61 CO -0.08 -0.58 1.42 0.34 0.04 0.00 0.00 177.00 178.13 1din s ASP 62 N -2.03 6.52 0.53 6.66 2.15 -0.44 -4.79 116.67 125.27 1din s ASP 62 Ca 0.68 -1.52 0.32 0.00 0.43 0.00 0.00 52.55 52.47 1din s ASP 62 Cb -0.18 -2.55 1.27 0.00 -0.30 0.00 0.00 42.92 41.15 1din s ASP 62 CO 0.24 -1.46 1.95 -0.07 -0.17 0.00 0.00 175.17 175.65 1din h LEU 63 N 12.57 0.00 -0.62 -1.34 3.38 -1.93 -2.72 115.31 124.66 1din h LEU 63 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1din h LEU 63 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1din h LEU 63 CO 1.40 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 178.74 1din n TYR 64 N -3.14 0.06 0.31 1.13 4.01 -1.26 -4.23 117.16 114.04 1din n TYR 64 Ca 0.01 -0.03 0.18 0.00 -0.16 0.00 0.00 57.90 57.89 1din n TYR 64 Cb 0.33 0.00 1.01 0.00 -0.31 0.00 0.00 39.34 40.37 1din n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1din h ALA 65 N 4.04 1.34 0.00 -0.72 0.00 -1.68 0.90 119.26 123.14 1din h ALA 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1din h ALA 65 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1din h ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1din h ARG 66 N 0.00 0.00 0.00 0.00 3.08 -1.84 -3.34 114.38 112.28 1din h ARG 66 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1din h ARG 66 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1din h ARG 66 CO 0.00 0.00 -1.55 1.04 -1.07 0.00 0.00 179.97 178.39 1din n GLN 67 N -3.08 0.24 -3.09 0.04 6.02 0.37 -4.98 117.38 112.91 1din n GLN 67 Ca 0.01 0.06 0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1din n GLN 67 Cb 0.35 -1.19 -0.00 0.00 1.02 0.00 0.00 30.24 30.42 1din n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1din s ALA 68 N -2.19 -3.08 0.50 -1.58 0.00 0.29 -5.14 121.76 110.54 1din s ALA 68 Ca -0.13 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1din s ALA 68 Cb 0.03 -2.77 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 1din s ALA 68 CO 0.22 -2.18 1.17 -2.30 0.00 0.00 0.00 175.76 172.67 1din n PRO 69 N 4.56 1.52 -1.21 0.00 -0.02 -1.25 -2.69 135.00 135.89 1din n PRO 69 Ca 0.08 0.55 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 1din n PRO 69 Cb 0.58 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1din n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1din n GLY 70 N 0.98 0.92 3.75 -1.23 0.00 -1.26 -4.99 105.19 103.36 1din n GLY 70 Ca 0.10 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1din n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1din s THR 71 N -2.16 3.32 -0.30 2.61 -4.23 -1.10 -4.95 115.64 108.82 1din s THR 71 Ca 0.00 1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 1din s THR 71 Cb 0.00 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.20 1din s THR 71 CO 0.00 0.23 0.23 0.00 -0.54 0.00 0.00 174.62 174.54 1din s ALA 72 N -0.52 0.13 -0.02 3.99 0.00 -1.26 -2.92 121.76 121.15 1din s ALA 72 Ca 0.51 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1din s ALA 72 Cb -0.35 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1din s ALA 72 CO 0.41 -1.77 0.14 -0.51 0.00 0.00 0.00 175.76 174.03 1din s LEU 73 N 2.03 4.19 -0.37 0.00 1.43 0.43 -4.95 118.68 121.44 1din s LEU 73 Ca 0.11 0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 53.30 1din s LEU 73 Cb -0.16 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1din s LEU 73 CO -0.28 0.29 0.60 -0.62 0.23 0.00 0.00 176.35 176.56 1din s ASP 74 N -1.74 6.37 0.00 2.29 -1.08 -1.26 -4.83 116.67 116.43 1din s ASP 74 Ca 0.24 0.01 0.08 0.00 -0.52 0.00 0.00 52.55 52.35 1din s ASP 74 Cb -0.12 -2.31 0.33 0.00 -1.46 0.00 0.00 42.92 39.36 1din s ASP 74 CO 0.15 -0.59 1.23 -0.81 0.52 0.00 0.00 175.17 175.67 1din n PRO 75 N 5.98 0.01 0.05 4.34 -0.04 -1.26 -1.55 135.00 142.54 1din n PRO 75 Ca -0.02 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1din n PRO 75 Cb 0.49 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.59 1din n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1din n GLN 76 N -1.47 0.29 -3.19 0.54 6.02 -1.26 -4.82 117.38 113.49 1din n GLN 76 Ca 0.02 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.68 1din n GLN 76 Cb 0.09 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 1din n GLN 76 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1din s ASP 77 N -4.16 6.48 0.25 1.08 -1.08 -0.60 -4.97 116.67 113.68 1din s ASP 77 Ca 0.06 0.57 -0.03 0.00 -0.52 0.00 0.00 52.55 52.63 1din s ASP 77 Cb 0.14 -2.30 0.49 0.00 -1.46 0.00 0.00 42.92 39.79 1din s ASP 77 CO 0.73 -0.33 1.73 -0.08 0.52 0.00 0.00 175.17 177.74 1din h GLU 78 N 7.99 0.43 -0.39 4.34 4.57 -1.87 0.26 114.58 129.92 1din h GLU 78 Ca -0.28 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.77 1din h GLU 78 Cb 1.13 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1din h GLU 78 CO 0.74 0.29 -0.18 0.00 -1.18 0.00 0.00 179.01 178.68 1din h ARG 79 N 0.44 0.81 -0.62 1.92 2.47 -1.93 -2.02 114.38 115.45 1din h ARG 79 Ca 0.43 -0.35 -0.06 0.00 -1.26 0.00 0.00 59.98 58.74 1din h ARG 79 Cb 0.68 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 1din h ARG 79 CO -0.42 0.97 0.14 1.96 0.56 0.00 0.00 179.97 183.19 1din h GLN 80 N 0.61 0.98 -0.81 0.04 4.20 -1.60 -2.35 115.11 116.18 1din h GLN 80 Ca 0.09 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1din h GLN 80 Cb 0.73 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1din h GLN 80 CO 0.06 0.88 0.42 0.00 -0.67 0.00 0.00 178.83 179.51 1din h ARG 81 N 0.94 1.15 -0.66 1.46 3.08 -0.80 -1.09 114.38 118.45 1din h ARG 81 Ca 0.20 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1din h ARG 81 Cb 0.35 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1din h ARG 81 CO 0.00 0.87 0.41 0.93 -1.07 0.00 0.00 179.97 181.11 1din h GLU 82 N 1.14 0.77 -0.69 0.04 5.08 -1.01 -1.50 114.58 118.41 1din h GLU 82 Ca 0.28 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1din h GLU 82 Cb 0.08 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1din h GLU 82 CO -0.04 0.51 0.33 0.37 -1.00 0.00 0.00 179.01 179.17 1din h GLN 83 N 0.79 0.99 -0.61 2.33 5.75 -0.96 -1.46 115.11 121.94 1din h GLN 83 Ca 0.27 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1din h GLN 83 Cb 0.05 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 1din h GLN 83 CO -0.12 0.78 0.37 0.00 -2.65 0.00 0.00 178.83 177.22 1din h ALA 84 N 1.15 0.79 -0.62 3.38 0.00 -0.51 -1.27 119.26 122.18 1din h ALA 84 Ca 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1din h ALA 84 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1din h ALA 84 CO -0.03 0.11 0.16 1.88 0.00 0.00 0.00 179.25 181.37 1din h TYR 85 N 0.73 0.99 -0.57 0.00 0.05 -0.88 -0.46 116.97 116.84 1din h TYR 85 Ca 0.25 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1din h TYR 85 Cb 0.02 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1din h TYR 85 CO -0.05 0.81 0.02 0.87 -1.05 0.00 0.00 178.16 178.76 1din h LYS 86 N 0.92 1.00 -0.50 4.88 1.57 -0.59 -0.09 116.57 123.76 1din h LYS 86 Ca 0.20 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1din h LYS 86 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1din h LYS 86 CO -0.00 0.98 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.67 1din h LEU 87 N 0.88 0.94 -0.63 2.94 3.38 -0.94 -2.65 115.31 119.24 1din h LEU 87 Ca 0.16 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1din h LEU 87 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1din h LEU 87 CO 0.03 1.06 0.26 -0.25 0.09 0.00 0.00 178.44 179.63 1din h TRP 88 N 0.83 0.95 -0.96 1.13 7.01 -0.81 -2.27 115.95 121.84 1din h TRP 88 Ca 0.13 -0.07 0.09 0.00 2.11 0.00 0.00 58.89 61.15 1din h TRP 88 Cb 0.67 -0.28 -0.07 0.00 -2.10 0.00 0.00 29.16 27.37 1din h TRP 88 CO 0.04 0.74 0.61 0.37 -2.79 0.00 0.00 178.44 177.42 1din h GLN 89 N 0.87 0.98 -0.21 2.65 -0.00 -0.72 -2.07 115.11 116.60 1din h GLN 89 Ca 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1din h GLN 89 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1din h GLN 89 CO -0.02 0.65 0.00 0.00 0.00 0.00 0.00 178.83 179.46 1din n ALA 90 N -2.38 2.48 -1.83 3.38 0.00 -1.02 -4.95 120.51 116.19 1din n ALA 90 Ca 0.16 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 1din n ALA 90 Cb 0.28 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1din n ALA 90 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1din s PHE 91 N -1.73 3.29 -0.45 0.00 5.36 -0.78 -4.97 117.98 118.69 1din s PHE 91 Ca 0.34 1.47 -0.17 0.00 -0.96 0.00 0.00 56.93 57.61 1din s PHE 91 Cb 0.20 -3.52 0.04 0.00 -0.34 0.00 0.00 43.02 39.39 1din s PHE 91 CO 0.29 -1.40 0.47 0.34 -1.46 0.00 0.00 175.22 173.45 1din s ASP 92 N -0.40 6.19 0.23 6.13 -1.08 -1.26 -4.93 116.67 121.55 1din s ASP 92 Ca 0.49 -0.85 -0.08 0.00 -0.52 0.00 0.00 52.55 51.60 1din s ASP 92 Cb -0.36 -2.23 0.20 0.00 -1.46 0.00 0.00 42.92 39.07 1din s ASP 92 CO 0.45 -0.66 1.87 0.24 0.52 0.00 0.00 175.17 177.59 1din h MET 93 N 8.79 1.21 -0.35 4.34 2.86 -1.98 0.56 114.93 130.35 1din h MET 93 Ca -0.27 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 1din h MET 93 Cb 1.11 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1din h MET 93 CO 0.84 0.86 0.14 0.93 1.06 0.00 0.00 176.91 180.74 1din h GLU 94 N 1.22 0.53 -0.10 1.72 3.07 -2.00 -0.92 114.58 118.09 1din h GLU 94 Ca 0.31 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1din h GLU 94 Cb -0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1din h GLU 94 CO -0.06 0.52 -0.23 0.00 -1.40 0.00 0.00 179.01 177.84 1din h ALA 95 N 0.98 1.42 -0.51 3.43 0.00 -1.89 -2.53 119.26 120.18 1din h ALA 95 Ca 0.12 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1din h ALA 95 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1din h ALA 95 CO -0.01 0.41 0.02 0.78 0.00 0.00 0.00 179.25 180.45 1din h GLY 96 N 0.89 0.90 1.00 0.00 0.00 0.27 0.23 103.07 106.35 1din h GLY 96 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1din h GLY 96 CO 0.04 0.55 0.07 -2.08 0.00 0.00 0.00 176.54 175.12 1din h VAL 97 N 0.78 1.25 -0.50 4.60 2.07 -0.93 -0.92 116.25 122.61 1din h VAL 97 Ca 0.15 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1din h VAL 97 Cb 0.44 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1din h VAL 97 CO 0.02 0.34 0.32 1.23 0.02 0.00 0.00 177.57 179.50 1din h GLY 98 N 0.74 0.71 1.12 2.17 0.00 -1.04 0.42 103.07 107.19 1din h GLY 98 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1din h GLY 98 CO 0.01 0.27 0.15 -0.55 0.00 0.00 0.00 176.54 176.42 1din h ASP 99 N 0.67 1.02 -0.55 0.19 3.32 -0.80 -2.29 116.42 117.99 1din h ASP 99 Ca 0.18 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1din h ASP 99 Cb -0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1din h ASP 99 CO -0.04 0.99 0.06 -0.07 -1.72 0.00 0.00 179.24 178.47 1din h LEU 100 N 1.02 0.92 -1.04 1.55 3.38 -0.47 -1.75 115.31 118.94 1din h LEU 100 Ca 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1din h LEU 100 Cb 0.38 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1din h LEU 100 CO 0.00 0.95 0.48 -0.08 0.09 0.00 0.00 178.44 179.88 1din h GLU 101 N 0.90 1.15 -0.62 1.13 4.81 -0.43 0.81 114.58 122.33 1din h GLU 101 Ca 0.18 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1din h GLU 101 Cb 0.44 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1din h GLU 101 CO 0.02 0.82 0.09 0.00 -0.73 0.00 0.00 179.01 179.21 1din h ALA 102 N 1.37 0.98 -0.11 2.92 0.00 -0.98 -1.51 119.26 121.93 1din h ALA 102 Ca 0.30 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1din h ALA 102 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1din h ALA 102 CO -0.05 0.64 -0.61 0.00 0.00 0.00 0.00 179.25 179.23 1din h ALA 103 N 1.13 0.76 -0.10 0.00 0.00 -0.61 -1.32 119.26 119.12 1din h ALA 103 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1din h ALA 103 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1din h ALA 103 CO 0.01 0.72 0.02 0.82 0.00 0.00 0.00 179.25 180.83 1din h ILE 104 N 0.27 1.20 -0.34 0.00 2.04 -0.49 0.31 117.51 120.50 1din h ILE 104 Ca -0.01 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1din h ILE 104 Cb 1.13 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 1din h ILE 104 CO 0.10 0.17 0.15 0.03 0.00 0.00 0.00 178.15 178.61 1din h ARG 105 N -0.04 0.31 -0.75 2.37 3.08 -1.25 -0.20 114.38 117.91 1din h ARG 105 Ca 0.03 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1din h ARG 105 Cb 0.25 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 1din h ARG 105 CO 0.00 0.21 0.38 -0.92 -1.07 0.00 0.00 179.97 178.56 1din h TYR 106 N 0.32 0.67 -0.69 3.04 3.20 -0.96 -1.97 116.97 120.58 1din h TYR 106 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1din h TYR 106 Cb 0.08 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1din h TYR 106 CO -0.11 0.22 0.25 0.00 -1.64 0.00 0.00 178.16 176.88 1din h ALA 107 N 1.46 0.89 0.00 1.82 0.00 0.02 -2.95 119.26 120.50 1din h ALA 107 Ca 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1din h ALA 107 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1din h ALA 107 CO -0.29 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 1din h ARG 108 N 0.98 0.00 -0.44 0.00 3.08 -0.27 -3.13 114.38 114.60 1din h ARG 108 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1din h ARG 108 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1din h ARG 108 CO -0.01 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 179.63 1din n HIS 109 N -4.10 0.58 -1.74 3.04 8.25 -1.12 -4.36 115.22 115.77 1din n HIS 109 Ca -0.03 -0.38 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 1din n HIS 109 Cb 0.11 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.25 1din n HIS 109 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1din s GLN 110 N -1.14 2.85 0.49 -0.41 -1.52 -1.19 -4.91 119.66 113.83 1din s GLN 110 Ca 0.34 1.28 0.14 0.00 -1.95 0.00 0.00 55.36 55.17 1din s GLN 110 Cb 0.19 -1.96 1.14 0.00 -0.22 0.00 0.00 33.01 32.15 1din s GLN 110 CO 0.26 -1.19 2.11 -1.00 -0.25 0.00 0.00 175.29 175.21 1din h PRO 111 N -0.10 0.12 -0.01 2.91 0.13 -1.95 -2.15 132.00 130.96 1din h PRO 111 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1din h PRO 111 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1din h PRO 111 CO 0.55 0.11 0.00 2.48 -0.23 0.00 0.00 178.00 180.90 1din n TYR 112 N -4.50 0.00 -2.77 1.56 0.18 -1.26 -4.87 117.16 105.50 1din n TYR 112 Ca -0.02 -0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.36 1din n TYR 112 Cb 0.10 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.01 1din n TYR 112 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1din s SER 113 N -1.99 7.53 0.00 9.48 0.15 -0.81 -0.14 113.70 127.92 1din s SER 113 Ca 0.42 1.82 0.17 0.00 0.70 0.00 0.00 55.95 59.06 1din s SER 113 Cb 0.21 -2.58 0.64 0.00 -1.71 0.00 0.00 66.02 62.58 1din s SER 113 CO 0.35 0.05 1.46 -0.46 1.20 0.00 0.00 173.24 175.83 1din n ASN 114 N 2.19 1.38 0.00 5.45 6.94 0.78 -4.66 115.26 127.34 1din n ASN 114 Ca -0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1din n ASN 114 Cb 0.48 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1din n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1din n GLY 115 N 1.02 2.25 3.85 4.83 0.00 -1.26 -4.95 105.19 110.93 1din n GLY 115 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1din n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1din s LYS 116 N -0.42 3.45 -0.03 1.61 -0.14 -1.26 -4.94 119.74 118.01 1din s LYS 116 Ca 0.00 -0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.46 1din s LYS 116 Cb 0.00 -3.17 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1din s LYS 116 CO 0.00 0.73 -0.07 0.08 -0.76 0.00 0.00 175.35 175.33 1din s VAL 117 N -0.90 0.65 0.41 3.17 1.01 -1.26 -1.59 120.40 121.89 1din s VAL 117 Ca 0.14 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1din s VAL 117 Cb -0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 1din s VAL 117 CO 0.03 0.22 0.04 -0.83 0.00 0.00 0.00 175.10 174.57 1din s GLY 118 N 0.41 2.48 -0.02 4.51 0.00 -0.71 -1.09 107.32 112.91 1din s GLY 118 Ca -0.06 -2.26 0.01 0.00 0.00 0.00 0.00 44.72 42.41 1din s GLY 118 CO 0.00 -2.07 -0.01 -2.27 0.00 0.00 0.00 173.10 168.75 1din s LEU 119 N -3.75 1.56 -0.12 0.66 1.98 -0.43 -0.91 118.68 117.68 1din s LEU 119 Ca 0.36 -0.04 0.02 0.00 -2.89 0.00 0.00 54.13 51.58 1din s LEU 119 Cb 0.09 -0.19 0.01 0.00 0.66 0.00 0.00 46.19 46.76 1din s LEU 119 CO 0.19 -0.04 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.73 1din s VAL 120 N 0.51 1.82 0.09 1.68 1.01 -0.28 -0.68 120.40 124.54 1din s VAL 120 Ca -0.05 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1din s VAL 120 Cb -0.08 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1din s VAL 120 CO -0.01 0.50 -0.13 -0.83 0.00 0.00 0.00 175.10 174.64 1din s GLY 121 N 0.80 0.87 -0.05 4.51 0.00 -0.13 -0.54 107.32 112.79 1din s GLY 121 Ca -0.09 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1din s GLY 121 CO -0.00 -1.13 -0.10 -0.19 0.00 0.00 0.00 173.10 171.68 1din s TYR 122 N -1.75 1.17 0.00 1.90 1.51 -1.03 -0.79 117.35 118.36 1din s TYR 122 Ca 0.01 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1din s TYR 122 Cb -0.07 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1din s TYR 122 CO 0.02 -0.21 0.00 0.00 -1.11 0.00 0.00 175.55 174.25 1din h LEU 124 N 0.00 0.96 -1.86 0.00 5.85 -1.86 0.35 115.31 118.75 1din h LEU 124 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1din h LEU 124 Cb 0.00 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1din h LEU 124 CO 0.00 0.61 -0.13 1.23 -0.34 0.00 0.00 178.44 179.81 1din h GLY 125 N 1.09 0.00 1.87 3.75 0.00 0.58 -2.15 103.07 108.22 1din h GLY 125 Ca 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.58 1din h GLY 125 CO -0.18 0.00 -0.73 -1.33 0.00 0.00 0.00 176.54 174.31 1din h GLY 126 N 0.65 0.13 0.95 4.60 0.00 -0.36 0.24 103.07 109.28 1din h GLY 126 Ca -0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1din h GLY 126 CO 0.02 0.18 -0.44 0.00 0.00 0.00 0.00 176.54 176.29 1din h ALA 127 N 1.17 0.30 -0.64 3.60 0.00 -1.00 -2.94 119.26 119.76 1din h ALA 127 Ca -0.02 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1din h ALA 127 Cb 1.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1din h ALA 127 CO 0.10 0.44 0.42 -0.07 0.00 0.00 0.00 179.25 180.14 1din h LEU 128 N 0.30 0.73 -0.89 0.00 3.38 -1.28 -1.80 115.31 115.75 1din h LEU 128 Ca -0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1din h LEU 128 Cb 1.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1din h LEU 128 CO 0.10 0.53 0.58 0.00 0.09 0.00 0.00 178.44 179.74 1din h ALA 129 N 1.60 1.14 -0.32 1.53 0.00 -0.77 0.03 119.26 122.47 1din h ALA 129 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1din h ALA 129 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1din h ALA 129 CO -0.05 0.49 -0.03 0.35 0.00 0.00 0.00 179.25 180.01 1din h PHE 130 N 1.17 0.65 -0.80 0.00 3.57 -1.23 -0.06 116.94 120.24 1din h PHE 130 Ca 0.34 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1din h PHE 130 Cb -0.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1din h PHE 130 CO -0.01 0.73 0.32 -0.07 -2.23 0.00 0.00 178.31 177.05 1din h LEU 131 N 0.38 1.10 -0.80 0.59 3.38 -0.77 -0.64 115.31 118.55 1din h LEU 131 Ca 0.09 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1din h LEU 131 Cb 0.49 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1din h LEU 131 CO 0.02 0.97 -0.35 0.58 0.09 0.00 0.00 178.44 179.75 1din h VAL 132 N 1.16 1.29 -0.68 1.22 2.07 -0.93 -2.60 116.25 117.79 1din h VAL 132 Ca 0.27 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1din h VAL 132 Cb 0.21 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1din h VAL 132 CO -0.02 0.46 0.37 0.00 0.02 0.00 0.00 177.57 178.39 1din h ALA 133 N 1.21 0.88 0.00 1.67 0.00 -0.17 -1.51 119.26 121.34 1din h ALA 133 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1din h ALA 133 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1din h ALA 133 CO 0.07 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 1din h ALA 134 N 1.18 1.14 0.00 0.00 0.00 -0.82 -2.28 119.26 118.48 1din h ALA 134 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1din h ALA 134 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1din h ALA 134 CO -0.04 0.21 -0.40 0.87 0.00 0.00 0.00 179.25 179.89 1din h LYS 135 N 0.00 0.00 -0.12 0.00 1.79 -1.01 -3.41 116.57 113.82 1din h LYS 135 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1din h LYS 135 Cb 0.54 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1din h LYS 135 CO 0.02 0.36 -0.05 0.41 -1.08 0.00 0.00 179.45 179.12 1din n GLY 136 N 1.20 0.59 0.00 3.86 0.00 -0.64 -4.97 105.19 105.23 1din n GLY 136 Ca 0.02 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.33 1din n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1din n TYR 137 N -2.90 0.00 -4.38 1.61 4.01 -1.21 -4.85 117.16 109.44 1din n TYR 137 Ca -0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1din n TYR 137 Cb 0.10 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.53 1din n TYR 137 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1din s VAL 138 N -2.99 1.84 0.15 -0.72 -7.23 -1.26 -4.98 120.40 105.20 1din s VAL 138 Ca 0.10 -2.23 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 1din s VAL 138 Cb 0.13 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 1din s VAL 138 CO 0.36 -0.52 1.41 0.44 -0.31 0.00 0.00 175.10 176.48 1din h ASP 139 N 2.47 0.78 -4.29 4.85 3.32 -1.44 -3.46 116.42 118.65 1din h ASP 139 Ca -0.39 -0.46 -0.13 0.00 0.02 0.00 0.00 57.03 56.08 1din h ASP 139 Cb 1.23 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 1din h ASP 139 CO 0.63 1.23 -0.27 -0.13 -1.72 0.00 0.00 179.24 178.98 1din s ARG 140 N -3.89 0.53 0.03 3.56 0.52 -1.24 -4.21 118.95 114.24 1din s ARG 140 Ca -0.09 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.43 1din s ARG 140 Cb 0.10 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 1din s ARG 140 CO 0.87 -0.11 -0.14 0.00 0.02 0.00 0.00 175.30 175.95 1din s ALA 141 N -0.38 1.16 -0.06 2.13 0.00 -0.93 -1.31 121.76 122.38 1din s ALA 141 Ca -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1din s ALA 141 Cb -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1din s ALA 141 CO 0.02 0.23 -0.13 0.08 0.00 0.00 0.00 175.76 175.96 1din s VAL 142 N -0.76 1.20 -0.05 0.00 1.01 0.14 -0.59 120.40 121.36 1din s VAL 142 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1din s VAL 142 Cb -0.07 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1din s VAL 142 CO 0.01 0.37 -0.18 -0.83 0.00 0.00 0.00 175.10 174.46 1din s GLY 143 N 0.50 0.98 -0.22 4.51 0.00 0.72 -0.95 107.32 112.87 1din s GLY 143 Ca -0.12 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 1din s GLY 143 CO 0.03 -0.37 0.05 -0.19 0.00 0.00 0.00 173.10 172.62 1din s TYR 144 N 0.05 3.11 -1.23 1.90 1.51 0.03 -1.16 117.35 121.56 1din s TYR 144 Ca -0.05 -0.29 -0.32 0.00 -1.01 0.00 0.00 57.07 55.40 1din s TYR 144 Cb -0.12 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1din s TYR 144 CO 0.03 -0.19 0.61 2.48 -1.11 0.00 0.00 175.55 177.37 1din n TYR 145 N 4.36 -1.33 -2.44 2.71 0.18 0.18 -1.59 117.16 119.24 1din n TYR 145 Ca -0.16 0.09 -0.34 0.00 1.88 0.00 0.00 57.90 59.36 1din n TYR 145 Cb 0.52 -2.71 -0.02 0.00 -0.38 0.00 0.00 39.34 36.75 1din n TYR 145 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1din s GLY 146 N -3.63 2.55 -0.10 -7.48 0.00 -1.26 -3.72 107.32 93.68 1din s GLY 146 Ca 0.45 0.68 -0.09 0.00 0.00 0.00 0.00 44.72 45.76 1din s GLY 146 CO 0.97 1.02 0.20 0.14 0.00 0.00 0.00 173.10 175.42 1din s VAL 147 N -1.91 5.41 -0.00 1.40 1.01 -1.26 -4.51 120.40 120.54 1din s VAL 147 Ca 0.69 0.35 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1din s VAL 147 Cb -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1din s VAL 147 CO 0.23 0.61 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1din n GLY 148 N 1.96 0.48 0.29 4.51 0.00 -1.26 -4.74 105.19 106.43 1din n GLY 148 Ca -0.19 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1din n GLY 148 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1din h LEU 149 N 0.00 0.23 -2.80 0.99 3.38 -1.97 -1.25 115.31 113.88 1din h LEU 149 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1din h LEU 149 Cb 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1din h LEU 149 CO 0.00 0.16 0.01 1.05 0.09 0.00 0.00 178.44 179.75 1din h GLU 150 N 0.27 0.00 -0.24 1.13 9.09 -1.91 0.13 114.58 123.05 1din h GLU 150 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1din h GLU 150 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1din h GLU 150 CO -0.02 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.67 1din n LYS 151 N -3.35 1.92 -0.13 1.06 5.02 -0.47 -3.96 118.16 118.24 1din n LYS 151 Ca -0.03 -1.39 0.09 0.00 -2.02 0.00 0.00 58.31 54.96 1din n LYS 151 Cb 0.08 -1.41 0.14 0.00 -0.02 0.00 0.00 35.03 33.82 1din n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1din n GLN 152 N 0.62 1.24 0.13 1.97 1.13 0.46 -4.74 117.38 118.18 1din n GLN 152 Ca 0.16 -2.55 0.18 0.00 -1.94 0.00 0.00 57.00 52.85 1din n GLN 152 Cb 0.39 -1.45 0.76 0.00 0.11 0.00 0.00 30.24 30.04 1din n GLN 152 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1din h LEU 153 N 0.07 0.00 -1.66 1.08 4.07 -1.68 -0.86 115.31 116.33 1din h LEU 153 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1din h LEU 153 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1din h LEU 153 CO 0.00 0.00 0.00 -0.55 -1.08 0.00 0.00 178.44 176.81 1din h ASN 154 N 0.00 0.00 0.27 -0.43 7.08 -1.92 -1.68 115.58 118.89 1din h ASN 154 Ca 0.14 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.36 1din h ASN 154 Cb 0.68 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.92 1din h ASN 154 CO -0.00 0.00 -0.28 0.29 -2.08 0.00 0.00 177.43 175.36 1din n LYS 155 N -2.60 0.75 -0.19 4.14 5.02 -0.33 -4.46 118.16 120.49 1din n LYS 155 Ca -0.01 -0.44 -0.05 0.00 -2.02 0.00 0.00 58.31 55.80 1din n LYS 155 Cb 0.14 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1din n LYS 155 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1din h VAL 156 N 1.07 0.20 0.00 -0.18 2.07 -1.42 0.33 116.25 118.32 1din h VAL 156 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1din h VAL 156 Cb 0.50 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1din h VAL 156 CO 0.00 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.14 1din h PRO 157 N -0.15 0.00 0.00 1.57 0.13 -1.82 -1.65 132.00 130.07 1din h PRO 157 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1din h PRO 157 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1din h PRO 157 CO -0.66 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 177.92 1din h GLU 158 N 0.00 0.00 -6.30 0.86 5.08 -1.21 -3.44 114.58 109.57 1din h GLU 158 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1din h GLU 158 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1din h GLU 158 CO 0.00 0.00 0.84 0.08 -1.00 0.00 0.00 179.01 178.93 1din s VAL 159 N -3.12 3.96 -0.34 3.13 1.01 -0.62 -4.77 120.40 119.65 1din s VAL 159 Ca 0.09 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.38 1din s VAL 159 Cb 0.12 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1din s VAL 159 CO 0.63 -0.04 0.88 0.29 0.00 0.00 0.00 175.10 176.86 1din n LYS 160 N 5.76 1.52 -4.18 2.72 4.76 -1.26 -4.92 118.16 122.56 1din n LYS 160 Ca 0.13 -1.27 -0.16 0.00 -2.87 0.00 0.00 58.31 54.14 1din n LYS 160 Cb 0.44 -1.07 -0.11 0.00 -1.84 0.00 0.00 35.03 32.45 1din n LYS 160 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1din s HIS 161 N -0.70 1.15 0.41 2.13 3.76 -1.26 -5.10 115.29 115.67 1din s HIS 161 Ca 0.06 -0.55 -0.26 0.00 -0.15 0.00 0.00 55.06 54.16 1din s HIS 161 Cb 0.03 -0.63 -0.10 0.00 1.11 0.00 0.00 32.58 32.99 1din s HIS 161 CO 0.05 0.04 1.37 -2.30 -0.85 0.00 0.00 174.74 173.04 1din n PRO 162 N 0.91 2.22 -3.81 8.40 -0.02 -1.26 -4.85 135.00 136.59 1din n PRO 162 Ca -0.19 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1din n PRO 162 Cb 0.56 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1din n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1din s ALA 163 N -1.16 -0.11 -0.05 3.55 0.00 -0.66 -2.19 121.76 121.14 1din s ALA 163 Ca 0.58 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1din s ALA 163 Cb -0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1din s ALA 163 CO 0.60 -0.08 -0.23 -1.17 0.00 0.00 0.00 175.76 174.89 1din s LEU 164 N 0.55 2.02 -0.05 0.00 2.96 0.24 -1.59 118.68 122.81 1din s LEU 164 Ca -0.04 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1din s LEU 164 Cb -0.06 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.38 1din s LEU 164 CO -0.02 0.22 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.66 1din s PHE 165 N -0.11 2.01 -0.21 5.38 0.08 0.45 -0.20 117.98 125.38 1din s PHE 165 Ca -0.03 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.41 1din s PHE 165 Cb -0.13 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 1din s PHE 165 CO 0.03 -0.18 -0.06 -1.01 -0.10 0.00 0.00 175.22 173.91 1din s HIS 166 N -0.08 2.94 -0.02 0.36 3.76 -0.31 -1.25 115.29 120.70 1din s HIS 166 Ca -0.03 -0.90 0.05 0.00 -0.15 0.00 0.00 55.06 54.03 1din s HIS 166 Cb -0.12 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 1din s HIS 166 CO 0.03 -0.50 -0.17 -1.64 -0.85 0.00 0.00 174.74 171.61 1din s MET 167 N 1.32 1.42 0.21 1.40 -1.94 0.55 0.51 119.30 122.77 1din s MET 167 Ca 0.04 -0.59 -0.28 0.00 -1.71 0.00 0.00 55.69 53.15 1din s MET 167 Cb -0.14 -1.34 -0.09 0.00 2.01 0.00 0.00 34.83 35.27 1din s MET 167 CO -0.03 0.33 0.88 0.20 -0.01 0.00 0.00 175.02 176.39 1din s GLY 168 N -0.29 3.05 0.00 -0.03 0.00 -1.26 -0.55 107.32 108.23 1din s GLY 168 Ca 0.04 0.52 0.29 0.00 0.00 0.00 0.00 44.72 45.57 1din s GLY 168 CO -0.00 1.07 1.88 0.61 0.00 0.00 0.00 173.10 176.66 1din n GLY 169 N 1.53 -1.25 0.44 0.20 0.00 -0.12 -3.27 105.19 102.72 1din n GLY 169 Ca -0.03 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1din n GLY 169 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1din n GLN 170 N -1.29 1.75 -2.73 1.61 6.02 0.52 -4.94 117.38 118.33 1din n GLN 170 Ca 0.11 -2.81 -0.43 0.00 -0.01 0.00 0.00 57.00 53.87 1din n GLN 170 Cb 0.29 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 1din n GLN 170 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1din s ASP 171 N -2.69 6.93 0.66 1.08 -1.08 -1.20 -4.45 116.67 115.92 1din s ASP 171 Ca 0.36 1.09 0.40 0.00 -0.52 0.00 0.00 52.55 53.88 1din s ASP 171 Cb 0.32 -2.51 2.19 0.00 -1.46 0.00 0.00 42.92 41.46 1din s ASP 171 CO 0.03 -0.72 2.26 -0.74 0.52 0.00 0.00 175.17 176.51 1din h HIS 172 N 7.83 0.00 0.00 -5.34 -0.00 -1.94 0.10 115.15 115.80 1din h HIS 172 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1din h HIS 172 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1din h HIS 172 CO 0.79 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.91 1din n PHE 173 N -3.13 0.83 -3.52 5.26 3.72 -1.26 -4.10 117.46 115.26 1din n PHE 173 Ca -0.03 0.29 -0.27 0.00 -0.05 0.00 0.00 57.45 57.40 1din n PHE 173 Cb 0.15 -0.97 -0.10 0.00 -0.94 0.00 0.00 39.48 37.63 1din n PHE 173 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1din n VAL 174 N -2.22 0.68 -0.86 -4.37 0.31 0.36 -4.77 118.33 107.46 1din n VAL 174 Ca 0.04 -4.44 -0.30 0.00 -0.01 0.00 0.00 64.34 59.62 1din n VAL 174 Cb 0.31 -1.99 0.16 0.00 -0.91 0.00 0.00 33.84 31.42 1din n VAL 174 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1din s PRO 175 N -1.31 0.92 0.24 5.55 0.04 -1.26 -4.57 135.00 134.62 1din s PRO 175 Ca 0.33 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1din s PRO 175 Cb 0.07 -1.74 0.47 0.00 0.04 0.00 0.00 34.50 33.34 1din s PRO 175 CO -0.13 -2.60 1.29 0.00 0.04 0.00 0.00 177.00 175.61 1din n ALA 176 N -4.18 0.27 -0.13 8.56 0.00 -1.26 -0.89 120.51 122.89 1din n ALA 176 Ca 0.09 0.90 -0.06 0.00 0.00 0.00 0.00 53.44 54.37 1din n ALA 176 Cb 0.53 -0.58 0.11 0.00 0.00 0.00 0.00 19.45 19.51 1din n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1din h PRO 177 N 0.00 0.86 -0.33 0.00 0.13 -2.00 -1.59 132.00 129.08 1din h PRO 177 Ca 0.43 -0.26 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1din h PRO 177 Cb 0.75 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1din h PRO 177 CO -0.83 0.89 -0.14 0.77 -0.23 0.00 0.00 178.00 178.46 1din h SER 178 N 0.79 0.56 -0.56 1.44 0.02 -1.34 -1.99 113.55 112.47 1din h SER 178 Ca 0.14 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1din h SER 178 Cb 0.53 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1din h SER 178 CO 0.03 0.72 0.21 -0.09 -1.14 0.00 0.00 176.83 176.56 1din h ARG 179 N 0.52 0.85 -0.30 3.45 2.43 -0.89 -1.49 114.38 118.95 1din h ARG 179 Ca 0.09 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1din h ARG 179 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1din h ARG 179 CO 0.03 0.75 0.02 0.37 -1.51 0.00 0.00 179.97 179.63 1din h GLN 180 N 0.77 0.52 -0.80 0.20 4.15 -0.86 -0.81 115.11 118.29 1din h GLN 180 Ca 0.19 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1din h GLN 180 Cb 0.23 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1din h GLN 180 CO -0.01 0.65 0.44 -0.07 -1.93 0.00 0.00 178.83 177.91 1din h LEU 181 N 0.32 0.99 -0.24 -2.39 3.38 -1.22 -1.39 115.31 114.77 1din h LEU 181 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1din h LEU 181 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1din h LEU 181 CO 0.01 0.80 0.06 0.40 0.09 0.00 0.00 178.44 179.80 1din h ILE 182 N 1.11 1.21 0.03 1.22 2.04 -1.11 0.13 117.51 122.14 1din h ILE 182 Ca 0.28 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1din h ILE 182 Cb 0.03 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1din h ILE 182 CO -0.05 0.22 -0.14 0.74 0.00 0.00 0.00 178.15 178.93 1din h THR 183 N 0.22 0.66 -0.41 -0.27 2.02 -0.89 0.41 112.91 114.64 1din h THR 183 Ca 0.08 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1din h THR 183 Cb 0.29 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1din h THR 183 CO 0.00 0.00 -0.10 -0.33 0.37 0.00 0.00 175.52 175.46 1din h GLU 184 N -0.25 0.79 0.02 6.66 5.08 -1.25 -1.15 114.58 124.48 1din h GLU 184 Ca 0.04 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1din h GLU 184 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1din h GLU 184 CO -0.12 0.92 -0.01 0.78 -1.00 0.00 0.00 179.01 179.58 1din h GLY 185 N 0.61 -0.02 2.00 -3.84 0.00 -0.49 -2.85 103.07 98.48 1din h GLY 185 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1din h GLY 185 CO 0.04 -0.01 -0.12 0.74 0.00 0.00 0.00 176.54 177.19 1din h PHE 186 N -0.42 0.00 0.00 5.60 -1.00 -0.22 -2.91 116.94 117.99 1din h PHE 186 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1din h PHE 186 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1din h PHE 186 CO 0.06 0.12 -0.00 0.78 -1.61 0.00 0.00 178.31 177.66 1din h GLY 187 N 1.38 0.00 2.00 -1.45 0.00 -0.96 -2.45 103.07 101.60 1din h GLY 187 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1din h GLY 187 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1din n ALA 188 N -2.16 2.24 -4.01 3.60 0.00 -1.10 -4.60 120.51 114.49 1din n ALA 188 Ca -0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1din n ALA 188 Cb 0.08 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 1din n ALA 188 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1din s ASN 189 N -4.20 4.46 0.39 0.00 3.84 -0.92 -4.99 114.94 113.51 1din s ASN 189 Ca 0.11 -1.69 0.25 0.00 0.21 0.00 0.00 52.86 51.73 1din s ASN 189 Cb 0.13 -1.48 1.34 0.00 -0.55 0.00 0.00 41.25 40.70 1din s ASN 189 CO 0.56 -0.29 1.74 1.55 -2.79 0.00 0.00 177.10 177.88 1din h PRO 190 N 7.76 0.00 0.00 0.43 0.13 -1.83 0.34 132.00 138.82 1din h PRO 190 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1din h PRO 190 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1din h PRO 190 CO 0.48 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.53 1din n LEU 191 N -2.39 0.76 -4.74 1.56 4.77 -1.26 -4.69 117.00 111.02 1din n LEU 191 Ca -0.02 0.62 -0.36 0.00 -0.03 0.00 0.00 56.01 56.22 1din n LEU 191 Cb 0.09 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1din n LEU 191 CO 0.11 -0.35 -0.10 -0.76 -1.33 0.00 0.00 177.39 174.96 1din s LEU 192 N -4.53 4.24 -0.10 2.23 1.43 0.11 -1.65 118.68 120.40 1din s LEU 192 Ca 0.08 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1din s LEU 192 Cb 0.11 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1din s LEU 192 CO 0.51 0.16 -0.18 -1.10 0.23 0.00 0.00 176.35 175.97 1din s GLN 193 N 0.31 2.44 -0.04 1.70 -0.21 -0.62 -4.89 119.66 118.35 1din s GLN 193 Ca 0.12 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 54.89 1din s GLN 193 Cb -0.12 -1.96 -0.00 0.00 1.00 0.00 0.00 33.01 31.92 1din s GLN 193 CO 0.01 0.04 -0.18 0.08 -2.12 0.00 0.00 175.29 173.12 1din s VAL 194 N 0.69 1.48 -0.04 1.09 1.01 -1.26 -0.41 120.40 122.95 1din s VAL 194 Ca -0.12 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1din s VAL 194 Cb -0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1din s VAL 194 CO 0.03 0.42 -0.23 -1.00 0.00 0.00 0.00 175.10 174.33 1din s HIS 195 N 0.01 2.16 -0.09 5.22 3.76 -0.38 -4.97 115.29 121.00 1din s HIS 195 Ca -0.04 -0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 54.28 1din s HIS 195 Cb -0.12 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 1din s HIS 195 CO 0.02 -0.15 0.01 -1.58 -0.85 0.00 0.00 174.74 172.20 1din s TRP 196 N -0.24 3.20 -0.39 1.40 0.52 -1.26 -0.33 118.94 121.85 1din s TRP 196 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.33 1din s TRP 196 Cb -0.12 -1.82 0.11 0.00 -1.15 0.00 0.00 33.47 30.49 1din s TRP 196 CO 0.02 0.46 0.14 0.71 0.02 0.00 0.00 176.95 178.31 1din s TYR 197 N -0.81 3.66 0.25 -1.98 1.51 0.29 -4.91 117.35 115.35 1din s TYR 197 Ca 0.12 -2.70 -0.10 0.00 -1.01 0.00 0.00 57.07 53.38 1din s TYR 197 Cb -0.12 -3.09 0.37 0.00 -0.11 0.00 0.00 41.96 39.02 1din s TYR 197 CO 0.02 -0.96 1.60 0.93 -1.11 0.00 0.00 175.55 176.04 1din h GLU 198 N 7.80 0.01 -0.86 -0.62 4.39 -1.94 -0.10 114.58 123.25 1din h GLU 198 Ca -0.09 -0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.16 1din h GLU 198 Cb 1.03 -0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.41 1din h GLU 198 CO 0.62 0.01 0.50 -1.91 -1.16 0.00 0.00 179.01 177.07 1din n GLU 199 N -5.51 2.18 -4.46 2.33 4.07 -1.26 -3.93 120.64 114.06 1din n GLU 199 Ca 0.12 -3.07 -0.28 0.00 -0.06 0.00 0.00 57.16 53.87 1din n GLU 199 Cb 0.43 -2.11 -0.13 0.00 -0.06 0.00 0.00 31.44 29.57 1din n GLU 199 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1din s ALA 200 N -3.31 2.28 0.00 4.31 0.00 -0.79 -4.92 121.76 119.33 1din s ALA 200 Ca 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1din s ALA 200 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1din s ALA 200 CO 0.08 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1din n GLY 201 N 1.08 3.71 3.79 0.00 0.00 -1.26 -0.36 105.19 112.15 1din n GLY 201 Ca -0.18 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1din n GLY 201 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1din s HIS 202 N 3.06 2.90 -1.87 1.61 2.46 -1.26 -3.80 115.29 118.39 1din s HIS 202 Ca 0.00 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.07 1din s HIS 202 Cb 0.00 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.36 1din s HIS 202 CO 0.00 -1.17 0.00 0.43 -2.47 0.00 0.00 174.74 171.53 1din n SER 203 N -1.65 -5.33 0.08 9.88 7.64 -1.26 -4.68 113.62 118.29 1din n SER 203 Ca 0.10 0.30 0.08 0.00 1.01 0.00 0.00 58.87 60.35 1din n SER 203 Cb 0.52 -4.46 0.36 0.00 -1.01 0.00 0.00 64.21 59.62 1din n SER 203 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1din n PHE 204 N -2.99 0.41 0.90 1.43 1.16 -1.25 -1.80 117.46 115.32 1din n PHE 204 Ca -0.20 0.18 0.12 0.00 -1.87 0.00 0.00 57.45 55.68 1din n PHE 204 Cb 0.64 -0.79 0.12 0.00 -1.61 0.00 0.00 39.48 37.83 1din n PHE 204 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1din n ALA 205 N -1.64 2.45 -2.63 1.98 0.00 -1.26 -1.86 120.51 117.55 1din n ALA 205 Ca 0.01 -0.73 -0.39 0.00 0.00 0.00 0.00 53.44 52.32 1din n ALA 205 Cb 0.11 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 1din n ALA 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1din s ARG 206 N -1.92 3.59 0.31 0.00 3.52 -0.74 -4.97 118.95 118.74 1din s ARG 206 Ca 0.30 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 1din s ARG 206 Cb 0.20 -3.71 0.72 0.00 -1.56 0.00 0.00 34.95 30.61 1din s ARG 206 CO 0.30 -0.36 1.80 1.79 -0.81 0.00 0.00 175.30 178.02 1din h THR 207 N 5.49 0.76 0.00 4.11 1.35 -1.89 -0.35 112.91 122.37 1din h THR 207 Ca -0.33 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1din h THR 207 Cb 1.16 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1din h THR 207 CO 0.61 0.15 0.00 -1.54 -0.25 0.00 0.00 175.52 174.48 1din n SER 208 N -4.71 0.00 -4.91 5.36 3.41 -1.26 -4.81 113.62 106.70 1din n SER 208 Ca 0.22 -0.72 -0.29 0.00 -0.26 0.00 0.00 58.87 57.82 1din n SER 208 Cb 0.53 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1din n SER 208 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1din s SER 209 N -2.04 6.43 0.26 4.04 0.15 -0.14 -4.92 113.70 117.48 1din s SER 209 Ca 0.36 0.53 0.25 0.00 0.70 0.00 0.00 55.95 57.79 1din s SER 209 Cb 0.17 -2.06 0.96 0.00 -1.71 0.00 0.00 66.02 63.37 1din s SER 209 CO 0.29 -0.06 1.74 -1.54 1.20 0.00 0.00 173.24 174.87 1din n SER 210 N -0.55 0.74 -0.15 5.45 3.41 -1.26 -1.97 113.62 119.29 1din n SER 210 Ca -0.03 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 1din n SER 210 Cb 0.53 -0.82 0.82 0.00 -0.26 0.00 0.00 64.21 64.48 1din n SER 210 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1din n GLY 211 N 0.30 -0.70 3.68 5.00 0.00 -1.26 -4.94 105.19 107.27 1din n GLY 211 Ca 0.03 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 1din n GLY 211 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1din n TYR 212 N -0.65 2.40 -3.77 1.61 9.36 -0.83 -4.08 117.16 121.20 1din n TYR 212 Ca 0.22 0.17 -0.29 0.00 3.32 0.00 0.00 57.90 61.32 1din n TYR 212 Cb 0.19 -2.59 -0.15 0.00 -0.63 0.00 0.00 39.34 36.15 1din n TYR 212 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1din s VAL 213 N 1.30 0.93 0.23 2.97 1.01 -0.78 -5.01 120.40 121.06 1din s VAL 213 Ca 0.79 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1din s VAL 213 Cb -0.63 -1.59 0.19 0.00 0.00 0.00 0.00 36.38 34.36 1din s VAL 213 CO 0.38 -0.50 1.83 0.00 0.00 0.00 0.00 175.10 176.80 1din h ALA 214 N 8.09 1.10 -0.26 5.51 0.00 -1.94 -0.44 119.26 131.32 1din h ALA 214 Ca -0.14 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1din h ALA 214 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1din h ALA 214 CO 0.44 0.16 -0.38 0.66 0.00 0.00 0.00 179.25 180.13 1din h SER 215 N 0.84 0.62 -0.13 0.00 4.64 -1.96 -1.49 113.55 116.07 1din h SER 215 Ca 0.36 -0.27 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 1din h SER 215 Cb 0.23 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1din h SER 215 CO -0.20 0.94 -0.64 0.00 -0.87 0.00 0.00 176.83 176.05 1din h ALA 216 N 1.10 0.25 -0.69 5.18 0.00 -1.82 -2.37 119.26 120.91 1din h ALA 216 Ca 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1din h ALA 216 Cb 0.88 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1din h ALA 216 CO 0.08 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.17 1din h ALA 217 N 0.51 0.90 -0.35 0.00 0.00 -1.02 -0.12 119.26 119.18 1din h ALA 217 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1din h ALA 217 Cb 1.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1din h ALA 217 CO 0.13 0.48 0.19 0.00 0.00 0.00 0.00 179.25 180.06 1din h ALA 218 N 1.14 0.45 -0.27 0.00 0.00 -1.26 0.35 119.26 119.67 1din h ALA 218 Ca 0.23 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1din h ALA 218 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1din h ALA 218 CO -0.03 -0.03 -0.48 1.25 0.00 0.00 0.00 179.25 179.97 1din h LEU 219 N 0.44 0.79 -0.51 0.00 5.85 -1.06 -1.47 115.31 119.35 1din h LEU 219 Ca 0.12 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1din h LEU 219 Cb 0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1din h LEU 219 CO -0.02 1.14 0.17 0.00 -0.34 0.00 0.00 178.44 179.39 1din h ALA 220 N 0.88 0.66 -0.87 1.25 0.00 -0.76 -1.60 119.26 118.82 1din h ALA 220 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1din h ALA 220 Cb 1.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1din h ALA 220 CO 0.10 0.30 0.47 -0.91 0.00 0.00 0.00 179.25 179.21 1din h ASN 221 N 0.68 1.10 -0.16 0.00 -0.26 -0.16 -0.11 115.58 116.68 1din h ASN 221 Ca 0.17 -0.10 -0.14 0.00 -0.56 0.00 0.00 56.30 55.66 1din h ASN 221 Cb 0.25 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1din h ASN 221 CO -0.01 0.89 -0.39 1.05 -1.06 0.00 0.00 177.43 177.92 1din h GLU 222 N 1.23 0.69 -0.45 0.81 4.11 -1.07 -1.01 114.58 118.89 1din h GLU 222 Ca 0.31 -0.35 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 1din h GLU 222 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1din h GLU 222 CO -0.05 0.96 0.03 0.00 0.07 0.00 0.00 179.01 180.02 1din h ARG 223 N 0.57 0.71 -0.09 1.06 3.08 -0.76 -1.65 114.38 117.30 1din h ARG 223 Ca 0.05 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1din h ARG 223 Cb 0.92 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1din h ARG 223 CO 0.08 0.71 0.06 1.15 -1.07 0.00 0.00 179.97 180.90 1din h THR 224 N 0.67 1.05 -0.92 2.04 2.02 -0.59 -0.88 112.91 116.31 1din h THR 224 Ca 0.14 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1din h THR 224 Cb 0.38 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1din h THR 224 CO 0.01 0.05 0.58 -0.07 0.37 0.00 0.00 175.52 176.46 1din h LEU 225 N 0.10 1.08 -0.87 2.58 3.38 -0.84 0.33 115.31 121.07 1din h LEU 225 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1din h LEU 225 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1din h LEU 225 CO -0.01 0.81 0.35 0.44 0.09 0.00 0.00 178.44 180.12 1din h ASP 226 N 1.26 1.07 0.71 -0.43 3.32 -1.15 -1.01 116.42 120.18 1din h ASP 226 Ca 0.33 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1din h ASP 226 Cb -0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1din h ASP 226 CO -0.07 0.92 -0.55 0.15 -1.72 0.00 0.00 179.24 177.98 1din h PHE 227 N 1.14 0.00 0.00 4.55 3.57 -0.29 -3.19 116.94 122.73 1din h PHE 227 Ca 0.27 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1din h PHE 227 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1din h PHE 227 CO 0.02 0.55 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.78 1din h LEU 228 N 0.00 0.00 -0.93 0.59 3.38 -0.13 -3.39 115.31 114.82 1din h LEU 228 Ca -0.01 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1din h LEU 228 Cb 1.05 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 1din h LEU 228 CO 0.07 0.04 0.21 0.00 0.09 0.00 0.00 178.44 178.86 1din h ALA 229 N 1.96 1.38 -0.01 1.53 0.00 -1.20 0.18 119.26 123.10 1din h ALA 229 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1din h ALA 229 Cb 1.04 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1din h ALA 229 CO 0.00 -0.57 0.17 -1.35 0.00 0.00 0.00 179.25 177.50 1din h PRO 230 N 0.11 0.00 0.00 0.00 0.11 -1.78 0.62 132.00 131.07 1din h PRO 230 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1din h PRO 230 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1din h PRO 230 CO -0.76 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 176.96 1din h LEU 231 N 0.00 0.00 -9.71 2.35 3.38 -0.93 -3.43 115.31 106.97 1din h LEU 231 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 1din h LEU 231 Cb 0.34 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.15 1din h LEU 231 CO -0.00 0.00 0.87 -1.10 0.09 0.00 0.00 178.44 178.30 1din s GLN 232 N -3.35 4.19 0.00 1.13 -0.21 0.22 -4.58 119.66 117.05 1din s GLN 232 Ca 0.05 2.45 0.24 0.00 0.02 0.00 0.00 55.36 58.12 1din s GLN 232 Cb 0.09 -3.09 0.19 0.00 1.00 0.00 0.00 33.01 31.19 1din s GLN 232 CO 0.56 -0.59 1.25 -1.13 -2.12 0.00 0.00 175.29 173.26