#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dex s THR 2 N 0.00 1.71 -0.22 12.58 2.01 -1.26 -2.28 115.64 128.18 1dex s THR 2 Ca 0.00 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.81 1dex s THR 2 Cb 0.00 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1dex s THR 2 CO 0.00 0.25 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.38 1dex s VAL 3 N -0.77 2.59 -0.12 3.82 1.01 0.63 -1.32 120.40 126.23 1dex s VAL 3 Ca 0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1dex s VAL 3 Cb -0.09 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1dex s VAL 3 CO 0.02 0.33 0.19 -0.31 0.00 0.00 0.00 175.10 175.32 1dex s TYR 4 N 1.31 3.57 -0.14 5.22 1.51 0.44 -0.66 117.35 128.60 1dex s TYR 4 Ca 0.02 0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 56.63 1dex s TYR 4 Cb -0.15 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1dex s TYR 4 CO -0.07 0.59 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.33 1dex s LEU 5 N -0.62 2.79 -0.14 -1.29 1.43 -0.20 -0.35 118.68 120.29 1dex s LEU 5 Ca 0.15 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1dex s LEU 5 Cb -0.12 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1dex s LEU 5 CO 0.04 0.16 -0.15 0.00 0.23 0.00 0.00 176.35 176.63 1dex s ALA 6 N 0.41 1.87 0.00 4.21 0.00 -0.18 -0.77 121.76 127.29 1dex s ALA 6 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1dex s ALA 6 Cb -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1dex s ALA 6 CO 0.05 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1dex n GLY 7 N 4.63 1.40 0.00 0.00 0.00 -1.26 -1.28 105.19 108.68 1dex n GLY 7 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1dex n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dex n ASP 8 N -0.05 0.77 0.31 1.61 5.68 -1.26 -1.89 116.55 121.72 1dex n ASP 8 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.48 1dex n ASP 8 Cb 0.00 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 40.99 1dex n ASP 8 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1dex h SER 9 N 0.00 0.00 1.03 -1.12 4.64 -1.84 0.17 113.55 116.43 1dex h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dex h SER 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1dex h SER 9 CO 0.00 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 1dex n THR 10 N -3.32 0.47 -0.01 2.95 -2.24 -1.26 -3.82 114.28 107.05 1dex n THR 10 Ca -0.02 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1dex n THR 10 Cb 0.14 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1dex n THR 10 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1dex n MET 11 N -1.84 3.16 -1.73 -0.78 0.00 -0.44 -1.51 117.12 113.97 1dex n MET 11 Ca 0.05 -0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.41 1dex n MET 11 Cb 0.32 -1.07 0.05 0.00 0.00 0.00 0.00 33.22 32.53 1dex n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1dex s ALA 12 N -2.08 2.40 0.21 -5.12 0.00 0.47 -1.79 121.76 115.85 1dex s ALA 12 Ca -0.01 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1dex s ALA 12 Cb 0.01 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 1dex s ALA 12 CO 0.11 -1.38 1.63 0.21 0.00 0.00 0.00 175.76 176.34 1dex s LYS 13 N -3.92 4.17 0.00 0.00 2.20 -1.26 -1.21 119.74 119.71 1dex s LYS 13 Ca 0.70 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.80 1dex s LYS 13 Cb -0.24 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1dex s LYS 13 CO 0.41 -0.66 0.00 0.09 -0.36 0.00 0.00 175.35 174.82 1dex n ASN 14 N 3.64 -1.36 0.00 1.43 3.02 -1.26 -4.87 115.26 115.86 1dex n ASN 14 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1dex n ASN 14 Cb 0.37 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1dex n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dex n GLY 15 N -2.42 2.55 1.43 7.41 0.00 -0.35 -1.18 105.19 112.62 1dex n GLY 15 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1dex n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dex n GLY 16 N 0.00 3.49 0.84 -0.02 0.00 -1.26 -4.70 105.19 103.55 1dex n GLY 16 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1dex n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dex n GLY 17 N 0.10 -2.85 4.12 -0.02 0.00 -0.32 -4.95 105.19 101.26 1dex n GLY 17 Ca 0.25 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 1dex n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dex n SER 18 N -0.39 -1.21 0.00 1.61 3.41 -1.26 -1.83 113.62 113.95 1dex n SER 18 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1dex n SER 18 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1dex n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dex n GLY 19 N -2.26 1.14 3.93 5.00 0.00 -1.26 -4.96 105.19 106.78 1dex n GLY 19 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1dex n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dex s THR 20 N -3.50 4.01 0.13 2.61 -4.23 -0.76 -4.30 115.64 109.61 1dex s THR 20 Ca 0.00 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1dex s THR 20 Cb 0.00 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 1dex s THR 20 CO 0.00 -0.50 0.25 0.21 -0.54 0.00 0.00 174.62 174.04 1dex s ASN 21 N -4.24 0.06 0.11 3.99 2.47 -0.19 -3.58 114.94 113.56 1dex s ASN 21 Ca 0.51 -0.74 0.00 0.00 0.42 0.00 0.00 52.86 53.06 1dex s ASN 21 Cb -0.10 0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 40.05 1dex s ASN 21 CO 0.43 -0.82 0.26 -0.83 -3.72 0.00 0.00 177.10 172.42 1dex s GLY 22 N -2.91 2.01 0.60 1.21 0.00 -0.48 -4.33 107.32 103.42 1dex s GLY 22 Ca 0.11 -0.87 0.36 0.00 0.00 0.00 0.00 44.72 44.32 1dex s GLY 22 CO -0.06 -0.85 2.19 0.11 0.00 0.00 0.00 173.10 174.49 1dex h TRP 23 N 2.68 0.00 0.00 1.90 5.08 -1.33 -2.15 115.95 122.12 1dex h TRP 23 Ca -0.46 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 1dex h TRP 23 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1dex h TRP 23 CO 0.58 0.03 -0.10 0.78 -1.28 0.00 0.00 178.44 178.45 1dex h GLY 24 N 0.73 0.00 2.00 11.11 0.00 -1.61 -2.16 103.07 113.14 1dex h GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dex h GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 1dex h GLU 25 N 0.00 0.00 -0.32 4.80 4.39 -1.52 -3.14 114.58 118.79 1dex h GLU 25 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dex h GLU 25 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1dex h GLU 25 CO 0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 1dex n TYR 26 N -2.31 0.59 0.02 4.33 4.02 -0.81 -4.61 117.16 118.39 1dex n TYR 26 Ca 0.02 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.90 57.09 1dex n TYR 26 Cb 0.24 -0.11 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 1dex n TYR 26 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1dex h LEU 27 N 1.93 0.42 -1.44 7.72 3.38 -1.63 -3.39 115.31 122.31 1dex h LEU 27 Ca 0.00 -0.87 0.24 0.00 0.09 0.00 0.00 57.88 57.34 1dex h LEU 27 Cb 0.93 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1dex h LEU 27 CO 0.06 1.65 0.65 0.00 0.09 0.00 0.00 178.44 180.89 1dex h ALA 28 N -0.01 2.24 -0.21 1.53 0.00 -1.82 -0.48 119.26 120.51 1dex h ALA 28 Ca -0.31 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1dex h ALA 28 Cb 1.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1dex h ALA 28 CO 0.08 -0.59 0.15 0.77 0.00 0.00 0.00 179.25 179.66 1dex h SER 29 N 0.40 0.08 -0.43 0.00 0.02 -1.90 -2.81 113.55 108.90 1dex h SER 29 Ca 0.54 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1dex h SER 29 Cb 1.38 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1dex h SER 29 CO -0.24 0.06 0.00 -1.22 -1.14 0.00 0.00 176.83 174.29 1dex n TYR 30 N -4.49 0.56 -4.54 3.45 4.02 -0.19 -4.95 117.16 111.02 1dex n TYR 30 Ca 0.02 -0.29 -0.25 0.00 -0.01 0.00 0.00 57.90 57.37 1dex n TYR 30 Cb 0.22 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.41 1dex n TYR 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1dex s LEU 31 N -1.40 2.21 -0.07 7.72 1.43 -1.06 -0.75 118.68 126.75 1dex s LEU 31 Ca 0.40 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1dex s LEU 31 Cb 0.23 -0.95 0.39 0.00 0.03 0.00 0.00 46.19 45.89 1dex s LEU 31 CO 0.32 0.13 1.22 -1.54 0.23 0.00 0.00 176.35 176.71 1dex n SER 32 N 1.63 2.83 -4.60 2.29 3.41 -0.00 -4.88 113.62 114.30 1dex n SER 32 Ca -0.18 -2.26 -0.24 0.00 -0.26 0.00 0.00 58.87 55.93 1dex n SER 32 Cb 0.53 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1dex n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dex s ALA 33 N -1.71 3.04 0.22 7.33 0.00 -1.26 -4.94 121.76 124.43 1dex s ALA 33 Ca 0.27 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 1dex s ALA 33 Cb 0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1dex s ALA 33 CO 0.13 0.32 1.21 0.99 0.00 0.00 0.00 175.76 178.41 1dex s THR 34 N -2.18 3.41 -0.15 0.00 2.01 -0.96 -4.88 115.64 112.88 1dex s THR 34 Ca 0.29 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 1dex s THR 34 Cb -0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1dex s THR 34 CO 0.18 0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 1dex s VAL 35 N -0.35 3.42 -0.25 3.82 1.01 -1.26 -0.27 120.40 126.52 1dex s VAL 35 Ca 0.51 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1dex s VAL 35 Cb -0.34 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.62 1dex s VAL 35 CO 0.39 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 175.19 1dex s VAL 36 N 0.45 2.19 -0.63 2.92 1.01 0.17 -4.95 120.40 121.56 1dex s VAL 36 Ca -0.07 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 1dex s VAL 36 Cb -0.15 -2.25 0.09 0.00 0.00 0.00 0.00 36.38 34.06 1dex s VAL 36 CO 0.04 0.03 0.83 0.21 0.00 0.00 0.00 175.10 176.21 1dex s ASN 37 N 1.12 6.18 -0.27 3.32 3.84 -1.26 -1.03 114.94 126.84 1dex s ASN 37 Ca -0.07 -1.23 0.13 0.00 0.21 0.00 0.00 52.86 51.89 1dex s ASN 37 Cb -0.19 -2.36 0.80 0.00 -0.55 0.00 0.00 41.25 38.95 1dex s ASN 37 CO -0.06 -1.27 1.78 0.47 -2.79 0.00 0.00 177.10 175.23 1dex n ASP 38 N 6.99 5.47 -4.81 -4.21 8.00 0.05 -4.88 116.55 123.17 1dex n ASP 38 Ca -0.07 -3.03 -0.34 0.00 0.71 0.00 0.00 54.79 52.07 1dex n ASP 38 Cb 0.44 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 1dex n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dex s ALA 39 N -2.84 2.97 -0.02 2.24 0.00 -1.15 -4.48 121.76 118.49 1dex s ALA 39 Ca 0.55 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1dex s ALA 39 Cb 0.43 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1dex s ALA 39 CO 0.15 -0.07 0.04 0.08 0.00 0.00 0.00 175.76 175.96 1dex s VAL 40 N -2.07 -0.03 0.39 0.00 1.01 -0.80 -4.63 120.40 114.27 1dex s VAL 40 Ca 0.64 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 1dex s VAL 40 Cb -0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 36.38 36.07 1dex s VAL 40 CO 0.17 0.05 1.45 0.00 0.00 0.00 0.00 175.10 176.76 1dex n ALA 41 N 3.68 2.15 -0.45 5.51 0.00 -1.26 -3.13 120.51 127.01 1dex n ALA 41 Ca -0.21 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1dex n ALA 41 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1dex n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dex n GLY 42 N 0.52 1.55 3.83 0.00 0.00 -1.26 -4.84 105.19 105.01 1dex n GLY 42 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1dex n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dex s ARG 43 N -0.20 4.10 0.52 1.61 3.00 -1.18 -4.98 118.95 121.82 1dex s ARG 43 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 55.73 56.47 1dex s ARG 43 Cb 0.00 -2.73 -0.00 0.00 0.00 0.00 0.00 34.95 32.22 1dex s ARG 43 CO 0.00 0.32 0.10 -1.54 0.00 0.00 0.00 175.30 174.18 1dex s SER 44 N -1.91 4.25 0.31 0.23 1.04 -1.26 -4.55 113.70 111.82 1dex s SER 44 Ca 0.46 -1.55 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 1dex s SER 44 Cb -0.14 0.49 0.50 0.00 0.10 0.00 0.00 66.02 66.96 1dex s SER 44 CO 0.20 -0.91 1.95 0.00 0.98 0.00 0.00 173.24 175.46 1dex h ALA 45 N 1.21 1.41 0.61 5.32 0.00 -1.92 -1.89 119.26 124.01 1dex h ALA 45 Ca -0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1dex h ALA 45 Cb 1.31 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1dex h ALA 45 CO 0.70 0.50 -0.30 -0.09 0.00 0.00 0.00 179.25 180.07 1dex h ARG 46 N 0.97 -0.79 -0.04 0.00 2.43 -1.93 -2.54 114.38 112.47 1dex h ARG 46 Ca 0.25 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1dex h ARG 46 Cb -0.03 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1dex h ARG 46 CO -0.05 -0.53 -0.18 0.66 -1.51 0.00 0.00 179.97 178.36 1dex h SER 47 N -0.96 0.06 -0.22 -3.80 4.64 -1.71 0.11 113.55 111.66 1dex h SER 47 Ca -0.08 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 1dex h SER 47 Cb 0.63 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1dex h SER 47 CO 0.14 0.25 -0.17 0.22 -0.87 0.00 0.00 176.83 176.40 1dex h TYR 48 N 0.06 0.72 0.10 4.77 3.20 -1.40 0.62 116.97 125.03 1dex h TYR 48 Ca 0.01 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 1dex h TYR 48 Cb 0.36 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1dex h TYR 48 CO 0.00 0.78 -0.05 1.15 -1.64 0.00 0.00 178.16 178.40 1dex h THR 49 N 0.58 1.14 -0.96 1.81 2.02 -0.88 -1.46 112.91 115.16 1dex h THR 49 Ca 0.09 -1.20 0.11 0.00 0.77 0.00 0.00 66.41 66.18 1dex h THR 49 Cb 0.61 1.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.81 1dex h THR 49 CO 0.04 0.28 0.61 -0.09 0.37 0.00 0.00 175.52 176.73 1dex h ARG 50 N -0.72 0.93 0.00 6.66 2.43 -0.71 -0.13 114.38 122.84 1dex h ARG 50 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1dex h ARG 50 Cb 0.55 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1dex h ARG 50 CO 0.02 0.61 0.00 0.39 -1.51 0.00 0.00 179.97 179.49 1dex n GLU 51 N -4.57 0.92 -1.58 0.20 1.02 0.20 -4.86 120.64 111.97 1dex n GLU 51 Ca 0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 1dex n GLU 51 Cb 0.33 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1dex n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dex n GLY 52 N 0.56 0.73 0.12 0.62 0.00 -0.06 -4.95 105.19 102.21 1dex n GLY 52 Ca 0.07 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1dex n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dex h ARG 53 N 0.00 0.36 -0.32 1.61 3.08 -1.43 -2.28 114.38 115.40 1dex h ARG 53 Ca -0.20 -0.59 -0.11 0.00 0.07 0.00 0.00 59.98 59.15 1dex h ARG 53 Cb 0.80 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1dex h ARG 53 CO 0.28 1.27 -0.26 0.74 -1.07 0.00 0.00 179.97 180.93 1dex h PHE 54 N 0.11 0.72 -0.67 3.04 0.05 -1.85 -2.84 116.94 115.50 1dex h PHE 54 Ca -0.16 -0.16 -0.07 0.00 3.82 0.00 0.00 57.97 61.39 1dex h PHE 54 Cb 2.00 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 39.75 1dex h PHE 54 CO 0.08 0.83 0.14 1.49 -0.18 0.00 0.00 178.31 180.67 1dex h GLU 55 N 0.55 1.08 -0.43 1.51 4.81 -1.88 -1.92 114.58 118.30 1dex h GLU 55 Ca 0.08 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1dex h GLU 55 Cb 0.73 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1dex h GLU 55 CO 0.06 0.98 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.38 1dex h ASN 56 N 1.01 0.69 -0.41 1.04 -0.26 -1.34 -0.77 115.58 115.53 1dex h ASN 56 Ca 0.21 -0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1dex h ASN 56 Cb 0.39 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 1dex h ASN 56 CO 0.01 0.77 -0.01 0.40 -1.06 0.00 0.00 177.43 177.54 1dex h ILE 57 N 0.67 1.26 -0.96 2.81 2.04 -1.24 -2.65 117.51 119.44 1dex h ILE 57 Ca 0.13 -1.04 0.12 0.00 1.00 0.00 0.00 64.86 65.08 1dex h ILE 57 Cb 0.45 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 1dex h ILE 57 CO 0.02 0.35 0.61 0.00 0.00 0.00 0.00 178.15 179.13 1dex h ALA 58 N 0.89 1.61 -0.57 1.87 0.00 -0.78 0.33 119.26 122.61 1dex h ALA 58 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dex h ALA 58 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1dex h ALA 58 CO 0.02 0.15 0.35 -0.44 0.00 0.00 0.00 179.25 179.33 1dex h ASP 59 N 0.91 0.68 0.46 0.00 3.32 -0.79 -3.30 116.42 117.70 1dex h ASP 59 Ca 0.48 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.39 1dex h ASP 59 Cb 0.53 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1dex h ASP 59 CO -0.24 0.53 -1.62 1.33 -1.72 0.00 0.00 179.24 177.52 1dex n VAL 60 N -4.65 0.64 -1.91 -1.35 0.24 -0.81 -4.96 118.33 105.52 1dex n VAL 60 Ca 0.04 -0.60 -0.40 0.00 -2.04 0.00 0.00 64.34 61.33 1dex n VAL 60 Cb 0.05 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1dex n VAL 60 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1dex s VAL 61 N -3.21 2.30 0.34 3.34 0.11 0.04 -5.03 120.40 118.30 1dex s VAL 61 Ca -0.05 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1dex s VAL 61 Cb 0.10 -3.17 -0.07 0.00 -1.53 0.00 0.00 36.38 31.72 1dex s VAL 61 CO 0.84 0.05 0.03 0.42 -3.33 0.00 0.00 175.10 173.10 1dex s THR 62 N -1.20 1.47 0.20 5.04 -4.23 -1.26 -4.98 115.64 110.68 1dex s THR 62 Ca 0.57 -2.02 -0.33 0.00 -1.18 0.00 0.00 61.69 58.73 1dex s THR 62 Cb -0.42 -2.79 -0.14 0.00 1.34 0.00 0.00 72.50 70.50 1dex s THR 62 CO 0.55 -0.05 1.50 0.00 -0.54 0.00 0.00 174.62 176.08 1dex n ALA 63 N -0.74 1.27 0.00 3.99 0.00 -1.22 -1.77 120.51 122.04 1dex n ALA 63 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1dex n ALA 63 Cb 0.66 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1dex n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dex n GLY 64 N 2.83 2.48 3.83 0.00 0.00 -0.54 -4.93 105.19 108.87 1dex n GLY 64 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1dex n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dex s ASP 65 N -1.36 4.51 0.13 1.61 -0.00 -0.73 -4.76 116.67 116.07 1dex s ASP 65 Ca 0.00 1.12 0.09 0.00 -0.00 0.00 0.00 52.55 53.76 1dex s ASP 65 Cb 0.00 -1.80 -0.04 0.00 -0.00 0.00 0.00 42.92 41.08 1dex s ASP 65 CO 0.00 -1.94 -0.19 -0.31 -0.00 0.00 0.00 175.17 172.73 1dex s TYR 66 N -3.29 2.49 -0.06 4.23 1.51 -0.44 -0.00 117.35 121.79 1dex s TYR 66 Ca 0.61 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 1dex s TYR 66 Cb -0.13 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1dex s TYR 66 CO 0.53 0.40 -0.01 0.08 -1.11 0.00 0.00 175.55 175.43 1dex s VAL 67 N -1.21 0.38 -0.21 0.71 1.01 -0.58 -0.42 120.40 120.07 1dex s VAL 67 Ca 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1dex s VAL 67 Cb -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1dex s VAL 67 CO 0.10 0.23 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 1dex s ILE 68 N 1.59 3.47 -0.14 2.22 1.01 0.52 -1.00 121.20 128.87 1dex s ILE 68 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1dex s ILE 68 Cb -0.13 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1dex s ILE 68 CO -0.03 0.43 -0.16 -0.69 0.00 0.00 0.00 174.94 174.48 1dex s VAL 69 N 1.28 2.61 -0.23 2.92 1.01 -0.38 -1.01 120.40 126.59 1dex s VAL 69 Ca 0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1dex s VAL 69 Cb -0.14 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.25 1dex s VAL 69 CO -0.01 0.52 0.22 -0.70 0.00 0.00 0.00 175.10 175.13 1dex s GLU 70 N 0.68 0.21 0.28 2.72 2.12 -0.40 -0.39 118.70 123.93 1dex s GLU 70 Ca -0.08 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1dex s GLU 70 Cb -0.16 -1.13 -0.05 0.00 0.26 0.00 0.00 34.13 33.05 1dex s GLU 70 CO 0.02 -0.79 0.09 -0.06 -0.54 0.00 0.00 175.26 173.98 1dex s PHE 71 N 2.29 1.66 0.00 5.30 0.40 -1.26 -4.06 117.98 122.31 1dex s PHE 71 Ca 0.07 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 1dex s PHE 71 Cb -0.15 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1dex s PHE 71 CO -0.20 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 175.87 1dex n GLY 72 N -0.55 3.43 0.33 4.36 0.00 -1.26 -3.92 105.19 107.59 1dex n GLY 72 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1dex n GLY 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1dex h HIS 73 N 0.00 1.02 -0.58 1.61 3.86 -1.93 -2.76 115.15 116.37 1dex h HIS 73 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1dex h HIS 73 Cb 0.00 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1dex h HIS 73 CO 0.00 0.46 0.00 0.09 0.86 0.00 0.00 177.93 179.34 1dex n ASN 74 N -4.64 3.65 0.11 2.45 3.02 -1.26 -4.61 115.26 113.98 1dex n ASN 74 Ca 0.15 -1.99 0.12 0.00 -0.03 0.00 0.00 54.58 52.84 1dex n ASN 74 Cb 0.26 -0.38 0.22 0.00 -0.61 0.00 0.00 39.78 39.26 1dex n ASN 74 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1dex h ASP 75 N 3.98 0.00 -0.48 6.41 3.32 -1.76 -3.38 116.42 124.51 1dex h ASP 75 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1dex h ASP 75 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1dex h ASP 75 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 1dex n GLY 76 N 1.27 0.24 0.00 2.75 0.00 -1.26 -2.62 105.19 105.56 1dex n GLY 76 Ca 0.04 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1dex n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dex n GLY 77 N 5.00 -1.61 3.38 -0.02 0.00 -1.26 -4.22 105.19 106.46 1dex n GLY 77 Ca 0.00 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1dex n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dex s SER 78 N -3.54 3.73 0.06 1.61 0.15 -1.26 -4.99 113.70 109.45 1dex s SER 78 Ca 0.00 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.56 1dex s SER 78 Cb 0.00 -1.10 1.01 0.00 -1.71 0.00 0.00 66.02 64.22 1dex s SER 78 CO 0.00 0.25 1.79 -0.11 1.20 0.00 0.00 173.24 176.37 1dex n LEU 79 N 2.91 0.20 0.13 3.45 7.94 -1.26 -3.03 117.00 127.34 1dex n LEU 79 Ca -0.18 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1dex n LEU 79 Cb 0.52 -0.47 0.30 0.00 0.53 0.00 0.00 43.42 44.30 1dex n LEU 79 CO 0.27 -0.13 0.72 0.28 -1.11 0.00 0.00 177.39 177.42 1dex h SER 80 N 0.00 0.15 -2.19 1.96 0.02 -2.01 -2.98 113.55 108.51 1dex h SER 80 Ca 0.00 -0.05 -0.58 0.00 -0.84 0.00 0.00 61.79 60.32 1dex h SER 80 Cb 0.48 -0.04 -0.41 0.00 0.14 0.00 0.00 62.40 62.56 1dex h SER 80 CO 0.00 0.49 -0.73 0.35 -1.14 0.00 0.00 176.83 175.80 1dex n THR 81 N -4.10 2.02 -1.57 -2.27 -2.24 -1.17 -5.08 114.28 99.87 1dex n THR 81 Ca -0.01 -5.15 -0.49 0.00 -2.27 0.00 0.00 64.05 56.12 1dex n THR 81 Cb 0.41 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 66.94 1dex n THR 81 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dex n ASP 82 N 0.45 2.83 -0.84 3.42 2.03 -1.13 -4.82 116.55 118.50 1dex n ASP 82 Ca 0.29 0.60 0.11 0.00 0.52 0.00 0.00 54.79 56.30 1dex n ASP 82 Cb 0.44 -1.35 0.29 0.00 -0.72 0.00 0.00 41.12 39.78 1dex n ASP 82 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1dex n ASN 83 N 8.90 2.49 0.00 1.67 0.23 -1.26 -4.93 115.26 122.36 1dex n ASN 83 Ca 0.32 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 1dex n ASN 83 Cb 0.29 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1dex n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dex n GLY 84 N 1.29 1.46 0.05 4.83 0.00 -1.26 -4.84 105.19 106.72 1dex n GLY 84 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1dex n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dex n ARG 85 N -2.00 0.41 -1.65 1.61 3.00 -1.26 -4.14 116.66 112.62 1dex n ARG 85 Ca 0.00 0.06 -0.48 0.00 -0.01 0.00 0.00 57.85 57.42 1dex n ARG 85 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 32.46 31.21 1dex n ARG 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1dex n THR 86 N -2.77 0.01 -2.31 0.55 -1.04 -1.26 -4.45 114.28 103.01 1dex n THR 86 Ca -0.18 -0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 1dex n THR 86 Cb 0.70 -1.37 0.05 0.00 -1.82 0.00 0.00 70.33 67.89 1dex n THR 86 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1dex s ASP 87 N 0.89 5.14 0.38 8.00 1.11 -1.08 -4.96 116.67 126.15 1dex s ASP 87 Ca 0.80 0.50 -0.25 0.00 0.18 0.00 0.00 52.55 53.78 1dex s ASP 87 Cb -0.75 -1.30 -0.09 0.00 1.07 0.00 0.00 42.92 41.86 1dex s ASP 87 CO 0.40 -1.36 1.10 0.00 1.18 0.00 0.00 175.17 176.50 1dex s SER 89 N -1.27 5.46 0.00 0.00 0.01 -1.26 -4.11 113.70 112.52 1dex s SER 89 Ca 0.55 2.21 0.00 0.00 1.31 0.00 0.00 55.95 60.02 1dex s SER 89 Cb -0.27 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1dex s SER 89 CO 0.34 -1.40 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1dex n GLY 90 N 0.15 2.50 0.00 3.44 0.00 -1.26 -4.84 105.19 105.18 1dex n GLY 90 Ca 0.12 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 44.04 1dex n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dex n THR 91 N -1.11 0.00 0.00 2.61 -2.24 -1.26 -4.51 114.28 107.77 1dex n THR 91 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1dex n THR 91 Cb 0.00 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1dex n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dex n GLY 92 N 1.37 2.82 0.14 3.38 0.00 -1.26 -4.65 105.19 106.98 1dex n GLY 92 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1dex n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dex n ALA 93 N -3.00 2.46 -1.75 4.61 0.00 -1.26 -4.48 120.51 117.10 1dex n ALA 93 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1dex n ALA 93 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.50 1dex n ALA 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1dex s GLU 94 N -1.73 3.06 0.01 0.00 8.01 -1.26 -4.99 118.70 121.81 1dex s GLU 94 Ca 0.00 2.25 0.05 0.00 0.01 0.00 0.00 54.97 57.28 1dex s GLU 94 Cb 0.00 -2.22 -0.02 0.00 -4.31 0.00 0.00 34.13 27.59 1dex s GLU 94 CO 0.00 -1.26 -0.15 0.08 0.01 0.00 0.00 175.26 173.94 1dex s VAL 95 N -1.30 1.21 0.16 2.63 1.01 -1.26 -3.95 120.40 118.89 1dex s VAL 95 Ca 0.73 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1dex s VAL 95 Cb -0.41 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1dex s VAL 95 CO 0.48 0.21 -0.16 0.00 0.00 0.00 0.00 175.10 175.63 1dex s TYR 97 N -2.32 1.14 -0.17 0.00 1.51 -1.26 -0.15 117.35 116.10 1dex s TYR 97 Ca 0.14 -0.23 -0.22 0.00 -1.01 0.00 0.00 57.07 55.75 1dex s TYR 97 Cb -0.04 -0.74 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1dex s TYR 97 CO 0.05 -0.04 0.59 0.45 -1.11 0.00 0.00 175.55 175.49 1dex s SER 98 N -0.22 -0.59 -0.34 2.29 0.15 -0.98 -4.98 113.70 109.03 1dex s SER 98 Ca 0.04 1.00 -0.23 0.00 0.70 0.00 0.00 55.95 57.45 1dex s SER 98 Cb -0.06 0.99 0.01 0.00 -1.71 0.00 0.00 66.02 65.25 1dex s SER 98 CO -0.00 -0.31 0.79 -0.69 1.20 0.00 0.00 173.24 174.22 1dex s VAL 99 N -0.15 4.76 -0.03 4.45 1.01 -1.26 -0.73 120.40 128.45 1dex s VAL 99 Ca -0.04 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.97 1dex s VAL 99 Cb -0.03 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1dex s VAL 99 CO 0.03 -0.35 0.03 -0.47 0.00 0.00 0.00 175.10 174.34 1dex s TYR 100 N 3.05 0.14 -1.41 5.22 5.04 -0.54 -4.88 117.35 123.96 1dex s TYR 100 Ca 0.32 0.12 -0.09 0.00 -2.44 0.00 0.00 57.07 54.97 1dex s TYR 100 Cb -0.14 -0.37 0.04 0.00 0.35 0.00 0.00 41.96 41.84 1dex s TYR 100 CO 0.15 -0.14 1.04 -3.47 -1.34 0.00 0.00 175.55 171.79 1dex n ASP 101 N 4.51 -4.81 -0.14 4.32 4.64 -1.26 -2.45 116.55 121.36 1dex n ASP 101 Ca -0.20 -0.68 -0.02 0.00 -1.38 0.00 0.00 54.79 52.51 1dex n ASP 101 Cb 0.50 -4.46 -0.01 0.00 -1.04 0.00 0.00 41.12 36.12 1dex n ASP 101 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1dex n GLY 102 N -1.76 0.51 3.07 0.27 0.00 -1.26 -5.02 105.19 100.99 1dex n GLY 102 Ca -0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1dex n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dex s VAL 103 N -1.88 1.04 -0.90 1.61 1.01 -1.03 -5.06 120.40 115.19 1dex s VAL 103 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1dex s VAL 103 Cb 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.56 1dex s VAL 103 CO 0.00 0.30 1.29 0.21 0.00 0.00 0.00 175.10 176.91 1dex s ASN 104 N -0.05 6.42 0.10 3.32 2.47 -1.26 -1.47 114.94 124.46 1dex s ASN 104 Ca 0.00 -1.31 -0.29 0.00 0.42 0.00 0.00 52.86 51.68 1dex s ASN 104 Cb -0.08 -2.52 -0.06 0.00 -1.45 0.00 0.00 41.25 37.15 1dex s ASN 104 CO 0.00 -1.48 0.93 -0.70 -3.72 0.00 0.00 177.10 172.14 1dex s GLU 105 N 4.57 4.67 -0.26 0.43 2.12 0.09 -4.85 118.70 125.46 1dex s GLU 105 Ca 0.38 1.40 -0.25 0.00 0.36 0.00 0.00 54.97 56.86 1dex s GLU 105 Cb -0.05 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 1dex s GLU 105 CO -0.02 0.22 0.83 0.99 -0.54 0.00 0.00 175.26 176.74 1dex s THR 106 N 0.01 4.80 -0.17 -1.70 2.01 -1.26 -2.31 115.64 117.02 1dex s THR 106 Ca 0.46 1.47 -0.02 0.00 0.31 0.00 0.00 61.69 63.91 1dex s THR 106 Cb -0.23 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1dex s THR 106 CO 0.29 -0.15 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.36 1dex s ILE 107 N 2.92 3.30 0.60 1.82 1.01 0.79 -4.98 121.20 126.67 1dex s ILE 107 Ca 0.35 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1dex s ILE 107 Cb -0.15 -2.45 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1dex s ILE 107 CO 0.09 0.48 0.83 -0.76 0.00 0.00 0.00 174.94 175.58 1dex s LEU 108 N 0.85 3.18 0.67 2.97 1.43 -1.26 -0.73 118.68 125.77 1dex s LEU 108 Ca -0.02 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1dex s LEU 108 Cb -0.15 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 1dex s LEU 108 CO 0.01 -1.40 1.05 0.42 0.23 0.00 0.00 176.35 176.67 1dex s THR 109 N -2.84 3.88 0.17 5.49 -4.23 -1.25 -1.15 115.64 115.71 1dex s THR 109 Ca 0.61 0.55 -0.15 0.00 -1.18 0.00 0.00 61.69 61.52 1dex s THR 109 Cb -0.08 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.22 1dex s THR 109 CO 0.40 -0.77 1.77 0.15 -0.54 0.00 0.00 174.62 175.63 1dex h PHE 110 N -0.50 0.37 -0.56 3.99 3.57 -1.79 -2.14 116.94 119.88 1dex h PHE 110 Ca -0.45 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1dex h PHE 110 Cb 1.23 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1dex h PHE 110 CO 0.55 0.18 0.11 -1.35 -2.23 0.00 0.00 178.31 175.57 1dex h PRO 111 N 0.41 0.88 -0.37 6.41 0.11 -1.84 -2.72 132.00 134.87 1dex h PRO 111 Ca 0.19 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1dex h PRO 111 Cb 0.12 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1dex h PRO 111 CO -0.15 0.80 0.25 0.00 -0.21 0.00 0.00 178.00 178.68 1dex h ALA 112 N 1.28 0.47 -0.44 -0.75 0.00 -1.67 0.32 119.26 118.47 1dex h ALA 112 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1dex h ALA 112 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dex h ALA 112 CO 0.00 -0.07 0.26 1.88 0.00 0.00 0.00 179.25 181.32 1dex h TYR 113 N 0.50 0.49 -0.56 0.00 -1.99 -1.23 -0.25 116.97 113.93 1dex h TYR 113 Ca 0.14 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.78 1dex h TYR 113 Cb -0.06 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 1dex h TYR 113 CO -0.05 0.28 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.27 1dex h LEU 114 N 0.53 0.99 -0.45 3.88 3.38 -1.24 -2.06 115.31 120.34 1dex h LEU 114 Ca 0.17 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1dex h LEU 114 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1dex h LEU 114 CO -0.08 1.07 0.04 -0.33 0.09 0.00 0.00 178.44 179.23 1dex h GLU 115 N 0.91 0.76 -0.48 1.13 5.08 -0.66 -0.79 114.58 120.54 1dex h GLU 115 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dex h GLU 115 Cb 0.60 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1dex h GLU 115 CO 0.04 0.81 0.26 -0.91 -1.00 0.00 0.00 179.01 178.20 1dex h ASN 116 N 0.62 0.61 -0.55 1.42 2.35 -0.96 -0.98 115.58 118.08 1dex h ASN 116 Ca 0.13 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1dex h ASN 116 Cb 0.44 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1dex h ASN 116 CO 0.02 0.53 0.30 0.00 -1.65 0.00 0.00 177.43 176.63 1dex h ALA 117 N 1.10 0.70 -0.95 -0.83 0.00 -1.21 -2.32 119.26 115.75 1dex h ALA 117 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dex h ALA 117 Cb 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1dex h ALA 117 CO -0.03 0.22 0.63 0.00 0.00 0.00 0.00 179.25 180.07 1dex h ALA 118 N 1.14 1.20 -0.67 0.00 0.00 -0.73 -2.28 119.26 117.92 1dex h ALA 118 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dex h ALA 118 Cb 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1dex h ALA 118 CO -0.03 0.59 0.23 0.87 0.00 0.00 0.00 179.25 180.91 1dex h LYS 119 N 1.28 1.02 -0.29 0.00 1.57 -0.85 0.22 116.57 119.53 1dex h LYS 119 Ca 0.35 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1dex h LYS 119 Cb -0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1dex h LYS 119 CO -0.08 0.88 0.17 -0.07 -0.57 0.00 0.00 179.45 179.78 1dex h LEU 120 N 0.96 0.35 -0.22 2.94 3.38 -1.05 -2.17 115.31 119.50 1dex h LEU 120 Ca 0.22 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1dex h LEU 120 Cb 0.27 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dex h LEU 120 CO -0.01 0.32 -0.28 -0.26 0.09 0.00 0.00 178.44 178.30 1dex h PHE 121 N 0.36 0.70 -0.85 1.13 0.05 -1.18 -3.24 116.94 113.91 1dex h PHE 121 Ca 0.10 -0.23 -0.02 0.00 3.82 0.00 0.00 57.97 61.65 1dex h PHE 121 Cb 0.03 -0.14 -0.04 0.00 2.00 0.00 0.00 35.95 37.80 1dex h PHE 121 CO -0.04 0.94 0.46 1.15 -0.18 0.00 0.00 178.31 180.64 1dex h THR 122 N 0.27 1.25 0.00 -1.55 2.02 -0.55 -2.30 112.91 112.05 1dex h THR 122 Ca 0.03 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1dex h THR 122 Cb 0.85 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1dex h THR 122 CO 0.07 0.28 -0.04 0.00 0.37 0.00 0.00 175.52 176.20 1dex h ALA 123 N 1.31 1.51 -0.00 6.16 0.00 -1.41 -0.27 119.26 126.55 1dex h ALA 123 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dex h ALA 123 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dex h ALA 123 CO -0.05 0.05 -0.30 1.63 0.00 0.00 0.00 179.25 180.58 1dex n LYS 124 N -3.87 0.54 -0.11 0.00 5.02 -0.91 -4.95 118.16 113.87 1dex n LYS 124 Ca -0.03 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1dex n LYS 124 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1dex n LYS 124 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dex n GLY 125 N 1.39 0.94 3.86 0.72 0.00 -0.11 -3.42 105.19 108.56 1dex n GLY 125 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1dex n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dex s ALA 126 N -2.00 3.32 -0.30 4.61 0.00 -0.93 -1.46 121.76 125.01 1dex s ALA 126 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.72 1dex s ALA 126 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1dex s ALA 126 CO 0.00 0.10 0.35 0.15 0.00 0.00 0.00 175.76 176.36 1dex s LYS 127 N -3.55 3.86 -0.14 0.00 1.02 1.00 -4.23 119.74 117.70 1dex s LYS 127 Ca 0.53 -0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.29 1dex s LYS 127 Cb -0.10 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1dex s LYS 127 CO 0.26 -0.35 0.12 0.08 -0.92 0.00 0.00 175.35 174.55 1dex s VAL 128 N 2.02 5.38 -0.20 3.17 1.01 -1.26 -1.53 120.40 128.99 1dex s VAL 128 Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1dex s VAL 128 Cb -0.16 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1dex s VAL 128 CO 0.11 0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 175.13 1dex s ILE 129 N -0.66 1.03 0.07 2.22 1.01 -0.17 -2.32 121.20 122.38 1dex s ILE 129 Ca 0.13 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1dex s ILE 129 Cb -0.12 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 1dex s ILE 129 CO 0.02 -0.06 0.65 -0.76 0.00 0.00 0.00 174.94 174.80 1dex s LEU 130 N 1.64 4.50 -0.03 2.97 1.43 -0.23 -1.24 118.68 127.72 1dex s LEU 130 Ca -0.02 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.46 1dex s LEU 130 Cb -0.17 -3.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 1dex s LEU 130 CO -0.07 0.17 -0.12 -0.55 0.23 0.00 0.00 176.35 176.01 1dex s SER 131 N -0.70 1.56 0.54 2.29 0.15 0.48 -1.52 113.70 116.49 1dex s SER 131 Ca 0.32 -0.25 -0.20 0.00 0.70 0.00 0.00 55.95 56.53 1dex s SER 131 Cb -0.20 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.69 1dex s SER 131 CO 0.21 0.11 1.13 -0.94 1.20 0.00 0.00 173.24 174.95 1dex s SER 132 N 0.03 5.77 0.78 5.45 1.04 -1.14 -4.16 113.70 121.47 1dex s SER 132 Ca -0.01 2.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.45 1dex s SER 132 Cb -0.09 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.52 1dex s SER 132 CO 0.01 -1.18 1.21 0.00 0.98 0.00 0.00 173.24 174.25 1dex s GLN 133 N -3.26 1.82 0.61 4.02 -2.07 -1.25 -3.81 119.66 115.71 1dex s GLN 133 Ca 0.72 1.77 -0.14 0.00 -1.82 0.00 0.00 55.36 55.89 1dex s GLN 133 Cb -0.24 -1.79 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 1dex s GLN 133 CO 0.27 -2.08 1.04 0.95 -1.32 0.00 0.00 175.29 174.15 1dex s THR 134 N -2.07 4.05 0.41 3.63 -4.23 -1.26 -3.60 115.64 112.57 1dex s THR 134 Ca 0.74 0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 61.93 1dex s THR 134 Cb -0.29 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 1dex s THR 134 CO 0.49 -0.67 0.89 -2.16 -0.54 0.00 0.00 174.62 172.63 1dex s PRO 135 N -4.40 4.13 0.56 3.99 0.04 -1.26 -4.97 135.00 133.08 1dex s PRO 135 Ca 0.61 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 1dex s PRO 135 Cb -0.14 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1dex s PRO 135 CO 0.42 -0.01 1.03 -0.80 0.04 0.00 0.00 177.00 177.68 1dex s ASN 136 N -2.33 6.14 -0.68 6.66 0.02 -1.26 -4.88 114.94 118.61 1dex s ASN 136 Ca 0.59 1.73 -0.35 0.00 -1.02 0.00 0.00 52.86 53.82 1dex s ASN 136 Cb -0.09 -2.53 -0.19 0.00 0.02 0.00 0.00 41.25 38.46 1dex s ASN 136 CO 0.17 -0.92 2.21 -3.20 0.02 0.00 0.00 177.10 175.38 1dex n ASN 137 N -1.79 0.49 0.00 -1.22 5.15 0.07 -4.79 115.26 113.16 1dex n ASN 137 Ca 0.08 0.40 0.14 0.00 -0.60 0.00 0.00 54.58 54.60 1dex n ASN 137 Cb 0.53 -0.84 0.67 0.00 -0.53 0.00 0.00 39.78 39.61 1dex n ASN 137 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1dex n PRO 138 N 7.34 0.24 -0.15 1.20 -0.04 -1.26 -2.96 135.00 139.36 1dex n PRO 138 Ca 0.55 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 1dex n PRO 138 Cb -0.01 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1dex n PRO 138 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1dex n TRP 139 N -1.37 0.41 -0.34 0.54 7.02 -1.26 -0.96 117.44 121.48 1dex n TRP 139 Ca 0.11 -0.29 0.23 0.00 -1.02 0.00 0.00 57.50 56.53 1dex n TRP 139 Cb 0.27 -0.01 0.47 0.00 -2.42 0.00 0.00 31.31 29.61 1dex n TRP 139 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1dex h GLU 140 N 3.19 0.35 -0.08 -0.99 4.81 -1.78 0.17 114.58 120.24 1dex h GLU 140 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1dex h GLU 140 Cb 0.79 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1dex h GLU 140 CO 0.00 0.23 0.00 0.25 -0.73 0.00 0.00 179.01 178.76 1dex n THR 141 N -5.03 0.10 0.00 0.32 -2.24 -1.26 -4.91 114.28 101.25 1dex n THR 141 Ca 0.31 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1dex n THR 141 Cb 0.96 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1dex n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dex n GLY 142 N 1.16 3.43 3.32 3.38 0.00 0.59 -5.03 105.19 112.03 1dex n GLY 142 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1dex n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dex s THR 143 N -2.95 1.74 -0.04 2.61 -4.23 -1.26 -4.91 115.64 106.60 1dex s THR 143 Ca 0.00 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 1dex s THR 143 Cb 0.00 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 1dex s THR 143 CO 0.00 -0.34 1.14 0.12 -0.54 0.00 0.00 174.62 175.01 1dex s PHE 144 N -2.08 3.34 -0.18 3.99 5.36 -1.26 -4.36 117.98 122.79 1dex s PHE 144 Ca 0.15 1.34 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1dex s PHE 144 Cb -0.05 -3.35 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1dex s PHE 144 CO 0.06 -0.99 -0.18 0.08 -1.46 0.00 0.00 175.22 172.73 1dex s VAL 145 N 1.84 1.92 -0.53 3.12 1.01 -0.13 -5.03 120.40 122.59 1dex s VAL 145 Ca 0.55 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1dex s VAL 145 Cb -0.24 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.49 1dex s VAL 145 CO 0.23 0.47 0.49 0.21 0.00 0.00 0.00 175.10 176.51 1dex s ASN 146 N 1.34 6.17 -0.37 3.32 2.47 -1.26 -4.70 114.94 121.91 1dex s ASN 146 Ca 0.04 -1.77 0.00 0.00 0.42 0.00 0.00 52.86 51.55 1dex s ASN 146 Cb -0.13 -2.20 0.14 0.00 -1.45 0.00 0.00 41.25 37.60 1dex s ASN 146 CO -0.12 -0.85 0.21 -0.94 -3.72 0.00 0.00 177.10 171.69 1dex s SER 147 N 3.53 3.18 0.67 -4.21 1.04 -1.26 -5.13 113.70 111.51 1dex s SER 147 Ca 0.03 -2.28 -0.15 0.00 0.48 0.00 0.00 55.95 54.03 1dex s SER 147 Cb -0.30 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1dex s SER 147 CO 0.03 -0.30 1.12 -2.16 0.98 0.00 0.00 173.24 172.91 1dex s PRO 148 N 0.91 2.73 0.59 4.02 0.04 -1.26 -5.03 135.00 137.00 1dex s PRO 148 Ca 0.18 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1dex s PRO 148 Cb -0.23 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1dex s PRO 148 CO -0.00 -1.31 0.84 0.95 0.04 0.00 0.00 177.00 177.52 1dex s THR 149 N -2.30 2.57 0.39 1.26 -4.23 -1.26 -4.97 115.64 107.10 1dex s THR 149 Ca 0.68 -0.54 0.26 0.00 -1.18 0.00 0.00 61.69 60.90 1dex s THR 149 Cb -0.21 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 70.89 1dex s THR 149 CO 0.42 -0.01 2.03 0.08 -0.54 0.00 0.00 174.62 176.61 1dex h ARG 150 N -0.12 0.00 0.00 3.99 0.11 -1.99 -2.50 114.38 113.87 1dex h ARG 150 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1dex h ARG 150 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1dex h ARG 150 CO 0.55 0.14 0.00 0.74 0.10 0.00 0.00 179.97 181.50 1dex h PHE 151 N 0.00 0.00 -0.01 4.08 -1.00 -1.93 -1.21 116.94 116.87 1dex h PHE 151 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1dex h PHE 151 Cb 0.38 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1dex h PHE 151 CO 0.00 0.00 -0.01 0.28 -1.61 0.00 0.00 178.31 176.97 1dex h VAL 152 N 0.00 1.36 -0.15 -0.55 2.07 -1.81 -2.31 116.25 114.86 1dex h VAL 152 Ca 0.00 -1.08 -0.16 0.00 0.82 0.00 0.00 66.70 66.27 1dex h VAL 152 Cb 0.31 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1dex h VAL 152 CO 0.00 0.28 -0.60 -0.08 0.02 0.00 0.00 177.57 177.20 1dex h GLU 153 N -0.42 0.49 -0.81 1.57 4.81 -1.63 -3.05 114.58 115.54 1dex h GLU 153 Ca 0.00 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1dex h GLU 153 Cb 0.47 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1dex h GLU 153 CO 0.00 0.94 0.53 1.88 -0.73 0.00 0.00 179.01 181.63 1dex h TYR 154 N 0.37 0.91 -0.30 0.92 -1.99 -1.22 -0.24 116.97 115.42 1dex h TYR 154 Ca -0.00 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.62 1dex h TYR 154 Cb 1.14 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 1dex h TYR 154 CO 0.04 0.49 -0.36 0.00 -0.00 0.00 0.00 178.16 178.34 1dex h ALA 155 N 1.55 0.82 -0.33 3.88 0.00 -1.32 -0.43 119.26 123.43 1dex h ALA 155 Ca 0.34 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1dex h ALA 155 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dex h ALA 155 CO -0.12 0.64 -0.03 1.49 0.00 0.00 0.00 179.25 181.24 1dex h GLU 156 N 0.56 0.60 -0.42 0.00 4.81 -1.18 -2.25 114.58 116.70 1dex h GLU 156 Ca 0.06 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1dex h GLU 156 Cb 0.87 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1dex h GLU 156 CO 0.08 0.74 0.28 1.25 -0.73 0.00 0.00 179.01 180.63 1dex h LEU 157 N 0.39 0.49 -1.03 1.64 7.12 -0.94 -2.01 115.31 120.97 1dex h LEU 157 Ca 0.09 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.12 1dex h LEU 157 Cb 0.49 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.44 1dex h LEU 157 CO 0.02 0.36 0.65 0.00 -0.13 0.00 0.00 178.44 179.34 1dex h ALA 158 N 1.15 1.35 -0.36 1.25 0.00 -0.96 -0.92 119.26 120.78 1dex h ALA 158 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1dex h ALA 158 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1dex h ALA 158 CO -0.03 0.56 -0.25 0.00 0.00 0.00 0.00 179.25 179.52 1dex h ALA 159 N 1.42 0.87 0.17 0.00 0.00 -1.05 -1.13 119.26 119.53 1dex h ALA 159 Ca 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dex h ALA 159 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dex h ALA 159 CO -0.12 0.63 -0.08 1.49 0.00 0.00 0.00 179.25 181.17 1dex h GLU 160 N 0.64 -0.22 -0.44 0.00 4.81 -0.56 -1.15 114.58 117.66 1dex h GLU 160 Ca 0.08 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1dex h GLU 160 Cb 0.76 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1dex h GLU 160 CO 0.06 -0.01 0.17 0.28 -0.73 0.00 0.00 179.01 178.79 1dex h VAL 161 N -0.40 1.20 0.00 0.32 2.07 -1.17 -2.97 116.25 115.31 1dex h VAL 161 Ca -0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1dex h VAL 161 Cb 0.31 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1dex h VAL 161 CO 0.04 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1dex n ALA 162 N -2.32 2.04 -2.39 1.67 0.00 -0.43 -4.93 120.51 114.14 1dex n ALA 162 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1dex n ALA 162 Cb 0.15 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.18 1dex n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dex n GLY 163 N 0.80 0.16 2.19 0.00 0.00 -0.51 -4.94 105.19 102.90 1dex n GLY 163 Ca 0.04 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 1dex n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dex n VAL 164 N -3.82 0.00 -3.14 1.61 0.24 -0.75 -5.05 118.33 107.41 1dex n VAL 164 Ca -0.06 -1.38 -0.32 0.00 -2.04 0.00 0.00 64.34 60.53 1dex n VAL 164 Cb 0.55 0.12 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 1dex n VAL 164 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1dex s GLU 165 N -3.17 3.96 -0.05 7.34 2.02 -0.98 -4.65 118.70 123.18 1dex s GLU 165 Ca 0.06 0.61 0.05 0.00 0.02 0.00 0.00 54.97 55.71 1dex s GLU 165 Cb -0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 1dex s GLU 165 CO 0.04 0.16 -0.20 -0.47 0.02 0.00 0.00 175.26 174.81 1dex s TYR 166 N -2.00 1.94 -0.16 1.61 5.04 -1.26 -1.07 117.35 121.44 1dex s TYR 166 Ca 0.53 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1dex s TYR 166 Cb -0.10 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 40.95 1dex s TYR 166 CO 0.19 -0.18 -0.11 0.08 -1.34 0.00 0.00 175.55 174.19 1dex s VAL 167 N -0.02 1.47 -1.36 3.14 1.01 -0.58 -4.97 120.40 119.10 1dex s VAL 167 Ca -0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1dex s VAL 167 Cb -0.12 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1dex s VAL 167 CO 0.03 0.31 1.98 -0.67 0.00 0.00 0.00 175.10 176.74 1dex n ASP 168 N 4.78 4.32 -0.26 3.32 -0.08 -1.26 -2.87 116.55 124.49 1dex n ASP 168 Ca -0.15 -2.87 -0.02 0.00 -1.51 0.00 0.00 54.79 50.24 1dex n ASP 168 Cb 0.49 -1.69 0.17 0.00 2.34 0.00 0.00 41.12 42.42 1dex n ASP 168 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1dex h HIS 169 N 6.91 1.07 -0.11 -0.67 -0.00 -1.90 -2.97 115.15 117.48 1dex h HIS 169 Ca 0.50 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.90 1dex h HIS 169 Cb 0.76 -0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 1dex h HIS 169 CO 1.43 0.73 -0.23 2.35 -0.00 0.00 0.00 177.93 182.22 1dex h TRP 170 N 1.10 -0.60 -0.66 5.26 2.91 -1.66 -1.63 115.95 120.67 1dex h TRP 170 Ca 0.28 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.28 1dex h TRP 170 Cb 0.01 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1dex h TRP 170 CO 0.01 -0.31 0.23 0.77 -1.03 0.00 0.00 178.44 178.11 1dex h SER 171 N -0.30 0.94 -0.10 2.65 0.02 -1.86 -1.36 113.55 113.54 1dex h SER 171 Ca 0.09 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 1dex h SER 171 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1dex h SER 171 CO -0.28 0.87 -0.25 1.88 -1.14 0.00 0.00 176.83 177.92 1dex h TYR 172 N 0.94 0.60 -0.10 3.45 -1.99 -1.39 -0.58 116.97 117.90 1dex h TYR 172 Ca 0.22 -0.13 -0.17 0.00 2.00 0.00 0.00 58.73 60.65 1dex h TYR 172 Cb 0.25 -0.15 0.01 0.00 2.00 0.00 0.00 36.73 38.85 1dex h TYR 172 CO 0.02 0.74 -0.61 0.28 -0.00 0.00 0.00 178.16 178.58 1dex h VAL 173 N 0.47 1.34 -0.20 -2.88 2.07 -1.20 -2.75 116.25 113.11 1dex h VAL 173 Ca 0.07 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 1dex h VAL 173 Cb 0.68 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1dex h VAL 173 CO 0.05 0.58 -0.15 0.44 0.02 0.00 0.00 177.57 178.51 1dex h ASP 174 N 0.22 0.32 -0.10 0.57 5.19 -1.14 0.11 116.42 121.58 1dex h ASP 174 Ca -0.05 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1dex h ASP 174 Cb 1.26 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1dex h ASP 174 CO 0.13 0.50 -0.01 -1.28 -3.12 0.00 0.00 179.24 175.45 1dex h SER 175 N 0.31 0.19 -0.05 6.45 0.87 -1.14 -1.25 113.55 118.94 1dex h SER 175 Ca 0.06 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.14 1dex h SER 175 Cb 0.46 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1dex h SER 175 CO 0.03 0.48 -0.44 -0.29 -0.53 0.00 0.00 176.83 176.09 1dex h ILE 176 N -0.11 1.30 -0.59 2.23 6.09 -1.29 -2.71 117.51 122.44 1dex h ILE 176 Ca 0.03 -1.62 -0.06 0.00 -1.37 0.00 0.00 64.86 61.84 1dex h ILE 176 Cb 0.39 1.59 -0.03 0.00 0.47 0.00 0.00 36.82 39.25 1dex h ILE 176 CO 0.01 0.51 0.14 1.88 -3.07 0.00 0.00 178.15 177.62 1dex h TYR 177 N 0.47 0.96 -0.73 2.19 0.05 -0.94 0.20 116.97 119.16 1dex h TYR 177 Ca 0.03 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 1dex h TYR 177 Cb 0.95 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1dex h TYR 177 CO 0.04 0.80 0.35 1.49 -1.05 0.00 0.00 178.16 179.78 1dex h GLU 178 N 0.88 1.06 0.00 4.88 4.81 -0.96 -2.77 114.58 122.47 1dex h GLU 178 Ca 0.19 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1dex h GLU 178 Cb 0.32 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1dex h GLU 178 CO 0.00 0.83 -0.28 1.79 -0.73 0.00 0.00 179.01 180.62 1dex h THR 179 N 1.03 0.56 -0.13 0.32 1.35 -1.07 -3.25 112.91 111.71 1dex h THR 179 Ca 0.25 -1.50 -0.14 0.00 -0.55 0.00 0.00 66.41 64.47 1dex h THR 179 Cb 0.13 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1dex h THR 179 CO -0.03 0.28 -0.52 -0.07 -0.25 0.00 0.00 175.52 174.93 1dex h LEU 180 N 0.00 0.41 0.00 3.87 3.38 -0.71 -3.50 115.31 118.77 1dex h LEU 180 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1dex h LEU 180 Cb 1.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1dex h LEU 180 CO 0.04 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1dex n GLY 181 N 0.12 1.34 0.47 0.83 0.00 -1.13 -4.59 105.19 102.23 1dex n GLY 181 Ca -0.02 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 1dex n GLY 181 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1dex h ASN 182 N 0.00 -1.26 -0.48 1.61 -1.24 -1.90 -2.19 115.58 110.11 1dex h ASN 182 Ca 0.00 0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.18 1dex h ASN 182 Cb 0.00 0.42 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 1dex h ASN 182 CO 0.00 -0.63 0.17 0.00 -1.29 0.00 0.00 177.43 175.69 1dex h ALA 183 N -0.71 0.59 -0.06 1.57 0.00 -1.97 -1.73 119.26 116.95 1dex h ALA 183 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dex h ALA 183 Cb 0.82 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1dex h ALA 183 CO -0.06 -0.22 -0.00 1.15 0.00 0.00 0.00 179.25 180.12 1dex h THR 184 N 0.35 1.25 -0.38 0.00 2.02 -1.80 -2.75 112.91 111.60 1dex h THR 184 Ca 0.23 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 1dex h THR 184 Cb 0.23 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1dex h THR 184 CO -0.23 0.22 -0.11 0.58 0.37 0.00 0.00 175.52 176.35 1dex h VAL 185 N -0.19 1.25 -0.13 3.16 2.07 -1.30 -2.34 116.25 118.77 1dex h VAL 185 Ca 0.02 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1dex h VAL 185 Cb 0.34 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1dex h VAL 185 CO 0.00 0.37 -0.10 0.78 0.02 0.00 0.00 177.57 178.64 1dex h ASN 186 N 0.61 0.19 0.90 0.57 2.35 -1.33 -0.70 115.58 118.17 1dex h ASN 186 Ca 0.11 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1dex h ASN 186 Cb 0.55 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1dex h ASN 186 CO 0.03 0.32 0.00 0.77 -1.65 0.00 0.00 177.43 176.90 1dex h SER 187 N 0.19 0.00 1.47 5.81 4.64 -1.10 -2.34 113.55 122.22 1dex h SER 187 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1dex h SER 187 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1dex h SER 187 CO 0.02 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.86 1dex h TYR 188 N 0.00 0.00 -3.28 4.77 0.99 -1.06 -3.39 116.97 115.00 1dex h TYR 188 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 1dex h TYR 188 Cb 0.45 0.00 -0.37 0.00 1.00 0.00 0.00 36.73 37.81 1dex h TYR 188 CO 0.00 0.00 -0.27 -0.06 -0.00 0.00 0.00 178.16 177.83 1dex s PHE 189 N -3.18 3.74 0.33 4.88 0.40 -0.88 -0.77 117.98 122.50 1dex s PHE 189 Ca 0.09 -3.09 0.04 0.00 -0.60 0.00 0.00 56.93 53.37 1dex s PHE 189 Cb 0.10 -3.08 0.58 0.00 0.51 0.00 0.00 43.02 41.13 1dex s PHE 189 CO 0.58 -0.70 1.85 -1.00 0.70 0.00 0.00 175.22 176.65 1dex h PRO 190 N 5.96 0.49 0.00 0.24 0.13 -1.77 -3.38 132.00 133.67 1dex h PRO 190 Ca 0.13 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1dex h PRO 190 Cb 0.81 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1dex h PRO 190 CO 0.80 0.57 -0.30 0.44 -0.23 0.00 0.00 178.00 179.27 1dex n ILE 191 N -4.25 0.00 -3.22 -3.56 -5.35 -1.26 -5.11 119.36 96.61 1dex n ILE 191 Ca 0.01 -0.19 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1dex n ILE 191 Cb 0.28 0.70 0.01 0.00 -1.74 0.00 0.00 39.64 38.89 1dex n ILE 191 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1dex n ASP 192 N -0.83 -0.61 -1.46 7.28 5.68 -1.26 -5.05 116.55 120.31 1dex n ASP 192 Ca 0.00 -1.43 0.08 0.00 -0.50 0.00 0.00 54.79 52.94 1dex n ASP 192 Cb 0.00 1.02 0.32 0.00 -1.14 0.00 0.00 41.12 41.32 1dex n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dex n HIS 193 N -0.14 1.37 -0.02 2.11 1.44 -1.26 -4.53 115.22 114.19 1dex n HIS 193 Ca -0.02 -0.53 -0.03 0.00 -2.01 0.00 0.00 57.72 55.12 1dex n HIS 193 Cb 0.16 -0.25 -0.01 0.00 0.12 0.00 0.00 29.99 30.01 1dex n HIS 193 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1dex n THR 194 N 0.90 0.17 -2.84 0.61 -1.04 -1.26 -0.75 114.28 110.07 1dex n THR 194 Ca 0.23 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.78 1dex n THR 194 Cb 0.83 -1.54 -0.04 0.00 -1.82 0.00 0.00 70.33 67.76 1dex n THR 194 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1dex s HIS 195 N -2.06 3.57 0.16 -1.42 3.76 -1.26 -4.90 115.29 113.14 1dex s HIS 195 Ca -0.04 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.22 1dex s HIS 195 Cb 0.02 -3.02 -0.07 0.00 1.11 0.00 0.00 32.58 30.62 1dex s HIS 195 CO 0.05 -0.06 0.52 0.95 -0.85 0.00 0.00 174.74 175.36 1dex s THR 196 N 1.31 4.92 0.93 1.30 -4.23 -1.26 -4.30 115.64 114.31 1dex s THR 196 Ca 0.45 0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 1dex s THR 196 Cb -0.19 -3.68 0.15 0.00 1.34 0.00 0.00 72.50 70.12 1dex s THR 196 CO 0.21 0.15 1.14 -0.94 -0.54 0.00 0.00 174.62 174.64 1dex s SER 197 N -1.93 3.31 0.37 3.99 1.04 0.05 -1.02 113.70 119.52 1dex s SER 197 Ca 0.40 0.95 0.10 0.00 0.48 0.00 0.00 55.95 57.88 1dex s SER 197 Cb -0.14 -1.50 0.86 0.00 0.10 0.00 0.00 66.02 65.34 1dex s SER 197 CO 0.20 -2.67 1.87 -0.65 0.98 0.00 0.00 173.24 172.97 1dex h PRO 198 N -1.58 0.62 -0.41 4.02 0.11 -1.89 -0.02 132.00 132.86 1dex h PRO 198 Ca -0.51 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1dex h PRO 198 Cb 1.33 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1dex h PRO 198 CO 0.60 0.41 -0.02 0.00 -0.21 0.00 0.00 178.00 178.78 1dex h ALA 199 N 1.61 0.55 -0.31 -0.75 0.00 -1.94 -2.11 119.26 116.30 1dex h ALA 199 Ca 0.44 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dex h ALA 199 Cb 0.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1dex h ALA 199 CO -0.19 0.35 -0.17 0.78 0.00 0.00 0.00 179.25 180.02 1dex h GLY 200 N 0.56 0.61 1.09 0.00 0.00 -1.61 -2.27 103.07 101.43 1dex h GLY 200 Ca 0.11 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1dex h GLY 200 CO 0.03 0.42 0.06 0.00 0.00 0.00 0.00 176.54 177.05 1dex h ALA 201 N 1.31 0.88 -0.40 3.60 0.00 -0.88 -0.85 119.26 122.93 1dex h ALA 201 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1dex h ALA 201 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1dex h ALA 201 CO 0.04 0.67 0.21 1.49 0.00 0.00 0.00 179.25 181.66 1dex h GLU 202 N 1.02 0.57 -0.49 0.00 4.57 -1.17 -0.37 114.58 118.71 1dex h GLU 202 Ca 0.19 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1dex h GLU 202 Cb 0.50 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1dex h GLU 202 CO 0.02 0.48 0.30 0.28 -1.18 0.00 0.00 179.01 178.91 1dex h VAL 203 N 0.51 1.14 -0.70 0.32 2.07 -1.20 -0.62 116.25 117.78 1dex h VAL 203 Ca 0.14 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1dex h VAL 203 Cb 0.09 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1dex h VAL 203 CO -0.02 0.14 0.39 0.58 0.02 0.00 0.00 177.57 178.69 1dex h VAL 204 N 0.65 1.21 -0.40 2.57 2.07 -0.94 -1.14 116.25 120.27 1dex h VAL 204 Ca 0.18 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1dex h VAL 204 Cb -0.03 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1dex h VAL 204 CO -0.03 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.85 1dex h ALA 205 N 1.20 0.53 -0.66 1.67 0.00 -0.80 -2.23 119.26 118.97 1dex h ALA 205 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1dex h ALA 205 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dex h ALA 205 CO -0.04 0.24 0.31 0.93 0.00 0.00 0.00 179.25 180.68 1dex h GLU 206 N 0.51 0.93 -0.24 0.00 5.08 -0.89 -2.18 114.58 117.79 1dex h GLU 206 Ca 0.12 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1dex h GLU 206 Cb 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1dex h GLU 206 CO 0.01 0.73 -0.20 0.00 -1.00 0.00 0.00 179.01 178.55 1dex h ALA 207 N 1.41 1.22 -0.12 3.43 0.00 -0.88 0.11 119.26 124.43 1dex h ALA 207 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dex h ALA 207 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dex h ALA 207 CO -0.03 0.51 0.03 0.35 0.00 0.00 0.00 179.25 180.11 1dex h PHE 208 N 0.39 0.20 -0.34 0.00 3.57 -1.00 -1.63 116.94 118.14 1dex h PHE 208 Ca 0.07 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1dex h PHE 208 Cb 0.57 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1dex h PHE 208 CO 0.02 0.35 0.01 -0.07 -2.23 0.00 0.00 178.31 176.38 1dex h LEU 209 N -0.00 0.49 -0.39 0.59 3.38 -1.00 -0.96 115.31 117.41 1dex h LEU 209 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1dex h LEU 209 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1dex h LEU 209 CO 0.00 0.55 0.19 0.50 0.09 0.00 0.00 178.44 179.78 1dex h LYS 210 N 0.50 0.56 -0.74 1.13 1.63 -0.58 -1.96 116.57 117.11 1dex h LYS 210 Ca 0.11 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1dex h LYS 210 Cb 0.32 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 1dex h LYS 210 CO 0.01 0.49 0.46 0.00 -3.45 0.00 0.00 179.45 176.96 1dex h ALA 211 N 1.04 0.97 -0.13 5.00 0.00 -0.69 -1.41 119.26 124.04 1dex h ALA 211 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dex h ALA 211 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dex h ALA 211 CO -0.02 0.25 0.09 0.28 0.00 0.00 0.00 179.25 179.84 1dex h VAL 212 N 0.90 1.05 -0.33 0.00 2.07 -0.80 -1.14 116.25 118.00 1dex h VAL 212 Ca 0.30 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1dex h VAL 212 Cb 0.03 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1dex h VAL 212 CO -0.12 0.05 -0.03 0.58 0.02 0.00 0.00 177.57 178.07 1dex h VAL 213 N 0.17 1.27 -0.76 2.57 2.07 -1.23 -0.76 116.25 119.57 1dex h VAL 213 Ca 0.05 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1dex h VAL 213 Cb 0.00 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1dex h VAL 213 CO -0.01 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.19 1dex h THR 215 N 1.13 0.00 0.00 0.00 1.35 -1.20 -3.49 112.91 110.70 1dex h THR 215 Ca 0.25 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1dex h THR 215 Cb 0.27 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1dex h THR 215 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1dex n GLY 216 N 1.28 0.52 3.65 5.82 0.00 -0.34 -5.03 105.19 111.10 1dex n GLY 216 Ca 0.02 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1dex n GLY 216 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dex n THR 217 N -2.95 2.68 -0.19 2.61 -1.04 -0.88 -4.86 114.28 109.66 1dex n THR 217 Ca 0.00 -0.50 0.28 0.00 -2.04 0.00 0.00 64.05 61.79 1dex n THR 217 Cb 0.08 -1.34 0.71 0.00 -1.82 0.00 0.00 70.33 67.95 1dex n THR 217 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1dex h SER 218 N 1.65 0.04 -0.05 8.00 4.64 -1.95 -0.94 113.55 124.94 1dex h SER 218 Ca -0.46 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1dex h SER 218 Cb 1.32 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1dex h SER 218 CO 0.57 0.01 0.15 0.25 -0.87 0.00 0.00 176.83 176.95 1dex h LEU 219 N 0.04 0.00 -1.41 5.97 5.85 -1.94 -2.51 115.31 121.31 1dex h LEU 219 Ca 0.43 0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.49 1dex h LEU 219 Cb 1.67 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.59 1dex h LEU 219 CO -0.02 0.00 0.75 0.50 -0.34 0.00 0.00 178.44 179.32 1dex h LYS 220 N 0.00 0.25 0.00 1.25 3.11 -1.48 -0.84 116.57 118.85 1dex h LYS 220 Ca 0.02 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1dex h LYS 220 Cb 0.32 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1dex h LYS 220 CO -0.00 0.16 0.00 0.66 -2.81 0.00 0.00 179.45 177.46 1dex h SER 221 N 0.25 0.00 -0.13 4.20 4.64 -1.69 -2.60 113.55 118.22 1dex h SER 221 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1dex h SER 221 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1dex h SER 221 CO -0.33 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.96 1dex n VAL 222 N -2.57 1.61 -2.88 0.95 0.24 -0.33 -5.00 118.33 110.36 1dex n VAL 222 Ca 0.00 -1.63 -0.41 0.00 -2.04 0.00 0.00 64.34 60.26 1dex n VAL 222 Cb 0.18 0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.58 1dex n VAL 222 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1dex s LEU 223 N -2.07 4.29 0.33 1.34 2.96 -0.98 -0.82 118.68 123.73 1dex s LEU 223 Ca 0.25 1.36 0.23 0.00 -0.22 0.00 0.00 54.13 55.75 1dex s LEU 223 Cb 0.20 -3.31 0.29 0.00 0.50 0.00 0.00 46.19 43.88 1dex s LEU 223 CO 0.06 -0.26 1.45 0.71 -1.32 0.00 0.00 176.35 176.99 1dex h THR 224 N 4.91 0.00 -2.92 3.68 1.35 -1.27 -3.47 112.91 115.19 1dex h THR 224 Ca -0.37 -0.91 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 1dex h THR 224 Cb 1.18 1.73 -0.15 0.00 -1.73 0.00 0.00 68.15 69.18 1dex h THR 224 CO 0.78 0.00 0.02 0.28 -0.25 0.00 0.00 175.52 176.35 1dex s THR 225 N -3.24 0.04 -0.03 6.82 -1.32 -1.26 -5.05 115.64 111.59 1dex s THR 225 Ca 0.05 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.28 1dex s THR 225 Cb 0.08 -1.01 0.07 0.00 -1.51 0.00 0.00 72.50 70.13 1dex s THR 225 CO 0.70 -0.16 0.97 0.35 -2.21 0.00 0.00 174.62 174.26 1dex n THR 226 N 0.24 1.01 -2.65 5.08 -2.24 -1.26 -4.97 114.28 109.49 1dex n THR 226 Ca -0.18 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.08 1dex n THR 226 Cb 0.61 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1dex n THR 226 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dex s SER 227 N -1.31 6.54 0.00 3.42 0.15 -1.26 -4.95 113.70 116.30 1dex s SER 227 Ca 0.08 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1dex s SER 227 Cb 0.07 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1dex s SER 227 CO 0.01 -1.39 -0.01 -0.36 1.20 0.00 0.00 173.24 172.69 1dex s PHE 228 N 4.37 0.09 0.98 3.44 0.40 -1.26 -5.15 117.98 120.86 1dex s PHE 228 Ca 0.43 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.53 1dex s PHE 228 Cb -0.01 -0.06 0.18 0.00 0.51 0.00 0.00 43.02 43.63 1dex s PHE 228 CO -0.09 -0.04 1.09 -1.83 0.70 0.00 0.00 175.22 175.04 1dex s GLU 229 N -0.30 0.54 0.04 0.44 -1.05 -1.26 -4.91 118.70 112.20 1dex s GLU 229 Ca -0.03 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.48 1dex s GLU 229 Cb -0.02 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 31.93 1dex s GLU 229 CO -0.00 -2.70 0.00 0.41 0.95 0.00 0.00 175.26 173.92 1dex n GLY 230 N -0.82 -2.87 3.35 -3.83 0.00 -1.26 -4.99 105.19 94.76 1dex n GLY 230 Ca 0.06 -2.04 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 1dex n GLY 230 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dex s THR 231 N -0.46 0.88 -0.01 2.61 -1.32 -1.26 -5.12 115.64 110.96 1dex s THR 231 Ca 0.00 -2.01 -0.30 0.00 -1.21 0.00 0.00 61.69 58.17 1dex s THR 231 Cb 0.00 -2.56 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 1dex s THR 231 CO 0.00 -0.13 1.04 0.00 -2.21 0.00 0.00 174.62 173.32