#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1daj n ASN 2 N 0.00 -0.41 -3.69 7.83 4.05 -1.26 -4.83 115.26 116.95 1daj n ASN 2 Ca 0.00 0.12 -0.27 0.00 0.45 0.00 0.00 54.58 54.88 1daj n ASN 2 Cb 0.00 0.66 -0.17 0.00 1.23 0.00 0.00 39.78 41.50 1daj n ASN 2 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1daj s GLN 3 N -2.00 0.40 0.12 1.20 1.11 -1.26 -4.51 119.66 114.72 1daj s GLN 3 Ca 0.00 -0.24 0.00 0.00 0.01 0.00 0.00 55.36 55.13 1daj s GLN 3 Cb 0.00 -1.90 0.00 0.00 -1.01 0.00 0.00 33.01 30.10 1daj s GLN 3 CO 0.00 -0.63 0.00 1.04 0.01 0.00 0.00 175.29 175.71 1daj n GLN 4 N 5.15 0.00 -1.79 2.91 1.13 -1.26 -5.08 117.38 118.44 1daj n GLN 4 Ca -0.08 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.69 1daj n GLN 4 Cb 0.48 -0.43 0.16 0.00 0.11 0.00 0.00 30.24 30.56 1daj n GLN 4 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1daj s LYS 5 N -2.00 0.92 0.76 -1.09 3.01 -1.26 -5.08 119.74 115.00 1daj s LYS 5 Ca 0.00 -0.13 -0.08 0.00 -1.01 0.00 0.00 55.97 54.76 1daj s LYS 5 Cb 0.00 -1.85 0.10 0.00 -1.01 0.00 0.00 37.83 35.07 1daj s LYS 5 CO 0.00 -2.27 1.08 -1.12 0.51 0.00 0.00 175.35 173.55 1daj s SER 6 N -4.59 4.36 -0.06 2.83 0.01 -1.26 -4.97 113.70 110.02 1daj s SER 6 Ca 0.69 0.27 0.06 0.00 1.31 0.00 0.00 55.95 58.27 1daj s SER 6 Cb -0.08 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 1daj s SER 6 CO 0.52 -1.89 -0.24 -0.76 0.41 0.00 0.00 173.24 171.28 1daj s LEU 7 N -5.37 2.05 0.06 2.44 1.43 0.27 -4.60 118.68 114.97 1daj s LEU 7 Ca 0.64 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1daj s LEU 7 Cb -0.08 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1daj s LEU 7 CO 0.46 0.22 -0.19 -0.89 0.23 0.00 0.00 176.35 176.19 1daj s THR 8 N -0.05 2.76 0.11 5.49 2.01 -1.10 -3.06 115.64 121.81 1daj s THR 8 Ca -0.06 -1.29 0.10 0.00 0.31 0.00 0.00 61.69 60.75 1daj s THR 8 Cb -0.14 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1daj s THR 8 CO 0.04 0.27 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.81 1daj s LEU 9 N -1.62 2.52 -0.05 4.42 0.20 -0.60 -1.18 118.68 122.37 1daj s LEU 9 Ca 0.15 -0.63 -0.02 0.00 0.69 0.00 0.00 54.13 54.33 1daj s LEU 9 Cb -0.10 -1.40 0.04 0.00 -0.43 0.00 0.00 46.19 44.29 1daj s LEU 9 CO 0.06 0.19 0.10 -0.51 -0.29 0.00 0.00 176.35 175.90 1daj s ILE 10 N -1.08 -0.10 0.14 6.68 2.07 -0.59 -0.78 121.20 127.54 1daj s ILE 10 Ca 0.16 0.26 -0.12 0.00 -1.41 0.00 0.00 60.65 59.55 1daj s ILE 10 Cb -0.10 -0.19 0.01 0.00 0.13 0.00 0.00 42.46 42.30 1daj s ILE 10 CO 0.08 0.11 0.32 0.54 -1.91 0.00 0.00 174.94 174.08 1daj s VAL 11 N 1.51 0.08 -0.19 4.00 0.11 -0.68 -4.56 120.40 120.67 1daj s VAL 11 Ca -0.05 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1daj s VAL 11 Cb -0.12 -1.54 0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1daj s VAL 11 CO -0.05 -0.36 -0.09 0.00 -3.33 0.00 0.00 175.10 171.27 1daj s ALA 12 N -3.89 1.88 0.02 1.54 0.00 -1.26 0.12 121.76 120.18 1daj s ALA 12 Ca 0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1daj s ALA 12 Cb 0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1daj s ALA 12 CO -0.06 -0.84 0.00 -0.48 0.00 0.00 0.00 175.76 174.39 1daj s LEU 13 N 1.45 2.14 0.78 0.00 2.34 -0.43 -4.57 118.68 120.38 1daj s LEU 13 Ca -0.01 -0.51 -0.11 0.00 0.06 0.00 0.00 54.13 53.57 1daj s LEU 13 Cb -0.16 0.22 0.07 0.00 -0.56 0.00 0.00 46.19 45.76 1daj s LEU 13 CO -0.08 -0.35 1.14 0.42 -1.06 0.00 0.00 176.35 176.42 1daj s THR 14 N -1.74 2.18 0.58 5.48 -4.23 -0.42 -2.08 115.64 115.42 1daj s THR 14 Ca -0.13 -0.02 0.30 0.00 -1.18 0.00 0.00 61.69 60.65 1daj s THR 14 Cb -0.08 -3.04 0.41 0.00 1.34 0.00 0.00 72.50 71.13 1daj s THR 14 CO -0.02 -0.05 1.80 0.00 -0.54 0.00 0.00 174.62 175.81 1daj h THR 15 N -0.93 0.32 -0.63 3.99 1.03 -1.74 -0.58 112.91 114.37 1daj h THR 15 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1daj h THR 15 Cb 1.32 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1daj h THR 15 CO 0.65 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.96 1daj n SER 16 N -3.72 4.60 -0.62 0.00 7.64 -1.26 -4.94 113.62 115.32 1daj n SER 16 Ca 0.13 -2.42 -0.08 0.00 1.01 0.00 0.00 58.87 57.51 1daj n SER 16 Cb 0.87 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1daj n SER 16 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1daj n TYR 17 N 1.11 0.00 -2.69 1.43 4.02 -0.22 -4.93 117.16 115.87 1daj n TYR 17 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.72 1daj n TYR 17 Cb 0.86 -1.69 -0.03 0.00 -0.02 0.00 0.00 39.34 38.45 1daj n TYR 17 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1daj s GLY 18 N -2.79 2.87 0.00 2.72 0.00 -1.26 -0.01 107.32 108.85 1daj s GLY 18 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1daj s GLY 18 CO 0.00 1.70 0.22 0.29 0.00 0.00 0.00 173.10 175.32 1daj n ILE 19 N 3.83 0.00 -3.81 0.90 -5.35 -0.49 -1.30 119.36 113.14 1daj n ILE 19 Ca 0.06 -0.43 -0.01 0.00 -0.27 0.00 0.00 62.75 62.10 1daj n ILE 19 Cb 0.50 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1daj n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1daj s GLY 20 N -0.41 -0.13 -0.30 3.28 0.00 -1.17 -4.88 107.32 103.71 1daj s GLY 20 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.70 1daj s GLY 20 CO 0.00 1.69 0.65 -1.60 0.00 0.00 0.00 173.10 173.84 1daj s ARG 21 N -2.51 0.57 -1.11 2.90 6.06 0.10 -0.55 118.95 124.42 1daj s ARG 21 Ca 0.19 1.35 -0.04 0.00 -2.50 0.00 0.00 55.73 54.72 1daj s ARG 21 Cb -0.00 0.80 -0.04 0.00 0.06 0.00 0.00 34.95 35.77 1daj s ARG 21 CO 0.02 -0.28 0.94 0.43 -2.50 0.00 0.00 175.30 173.90 1daj n SER 22 N 5.44 -4.87 -3.43 -2.12 7.64 -1.26 -2.21 113.62 112.81 1daj n SER 22 Ca -0.10 -0.69 -0.23 0.00 1.01 0.00 0.00 58.87 58.86 1daj n SER 22 Cb 0.49 -5.12 -0.02 0.00 -1.01 0.00 0.00 64.21 58.56 1daj n SER 22 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1daj n ASN 23 N -3.18 -3.06 -3.61 6.43 3.02 -1.26 -4.89 115.26 108.72 1daj n ASN 23 Ca -0.15 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 53.88 1daj n ASN 23 Cb 0.64 -2.57 -0.03 0.00 -0.61 0.00 0.00 39.78 37.21 1daj n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1daj s SER 24 N -2.71 -0.38 -0.54 6.41 0.01 -0.94 -4.90 113.70 110.66 1daj s SER 24 Ca 0.41 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.14 1daj s SER 24 Cb -0.23 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1daj s SER 24 CO 0.51 -1.03 1.03 -0.76 0.41 0.00 0.00 173.24 173.40 1daj s LEU 25 N -2.82 3.84 0.00 2.44 1.43 -1.26 0.02 118.68 122.34 1daj s LEU 25 Ca 0.05 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1daj s LEU 25 Cb -0.01 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1daj s LEU 25 CO -0.07 -1.28 2.17 -0.81 0.23 0.00 0.00 176.35 176.59 1daj n PRO 26 N 7.75 1.11 -3.64 1.29 -0.04 -1.26 -4.74 135.00 135.47 1daj n PRO 26 Ca 0.05 -0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.29 1daj n PRO 26 Cb 0.48 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1daj n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1daj s TRP 27 N 0.27 -0.30 -0.59 0.54 -2.14 -1.26 -5.03 118.94 110.43 1daj s TRP 27 Ca 0.11 0.72 -0.14 0.00 2.66 0.00 0.00 56.10 59.46 1daj s TRP 27 Cb 0.05 0.41 0.15 0.00 -3.10 0.00 0.00 33.47 30.98 1daj s TRP 27 CO 0.00 -0.14 0.53 -1.59 -2.66 0.00 0.00 176.95 173.09 1daj s LYS 28 N 0.15 3.01 -0.65 3.25 -2.85 -1.26 -4.95 119.74 116.45 1daj s LYS 28 Ca 0.05 -1.92 0.06 0.00 -1.00 0.00 0.00 55.97 53.16 1daj s LYS 28 Cb -0.05 -4.24 0.24 0.00 -2.06 0.00 0.00 37.83 31.72 1daj s LYS 28 CO -0.10 -1.29 0.70 1.28 0.10 0.00 0.00 175.35 176.04 1daj n LEU 29 N 4.83 3.60 0.11 2.77 4.32 -1.26 -4.85 117.00 126.52 1daj n LEU 29 Ca -0.06 -5.40 0.09 0.00 -0.02 0.00 0.00 56.01 50.63 1daj n LEU 29 Cb 0.42 -0.67 0.58 0.00 -1.62 0.00 0.00 43.42 42.12 1daj n LEU 29 CO 0.46 2.01 1.12 0.50 -1.22 0.00 0.00 177.39 180.27 1daj h LYS 30 N 4.38 0.19 0.00 3.23 3.64 -1.94 0.54 116.57 126.61 1daj h LYS 30 Ca 0.19 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1daj h LYS 30 Cb 0.68 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1daj h LYS 30 CO 0.81 0.12 -0.99 0.87 -2.27 0.00 0.00 179.45 177.99 1daj h LYS 31 N 0.19 0.00 -0.22 1.90 1.57 -1.99 -3.04 116.57 114.98 1daj h LYS 31 Ca 0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1daj h LYS 31 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1daj h LYS 31 CO -0.02 0.01 -0.24 1.49 -0.57 0.00 0.00 179.45 180.11 1daj h GLU 32 N 0.00 0.56 0.00 3.15 4.22 -1.07 -2.26 114.58 119.18 1daj h GLU 32 Ca -0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1daj h GLU 32 Cb 1.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1daj h GLU 32 CO 0.00 0.89 0.00 -0.89 -2.18 0.00 0.00 179.01 176.84 1daj n ILE 33 N -4.38 1.00 0.01 2.32 2.08 0.16 -1.49 119.36 119.06 1daj n ILE 33 Ca -0.05 0.33 -0.03 0.00 0.56 0.00 0.00 62.75 63.56 1daj n ILE 33 Cb 0.44 -1.24 -0.11 0.00 -0.75 0.00 0.00 39.64 37.98 1daj n ILE 33 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1daj n SER 34 N -2.00 0.84 0.16 4.38 7.64 -1.04 -2.29 113.62 121.32 1daj n SER 34 Ca 0.02 0.38 -0.14 0.00 1.01 0.00 0.00 58.87 60.14 1daj n SER 34 Cb 0.17 0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.39 1daj n SER 34 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1daj h TYR 35 N 0.00 -0.36 -0.10 1.43 3.20 -0.68 -0.70 116.97 119.76 1daj h TYR 35 Ca -0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.66 1daj h TYR 35 Cb 1.75 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 40.13 1daj h TYR 35 CO 0.00 -0.07 -0.11 0.35 -1.64 0.00 0.00 178.16 176.69 1daj h PHE 36 N -0.65 -0.34 -0.70 -3.82 3.57 -1.47 1.31 116.94 114.83 1daj h PHE 36 Ca -0.04 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.61 1daj h PHE 36 Cb 0.46 0.16 -0.13 0.00 2.79 0.00 0.00 35.95 39.23 1daj h PHE 36 CO 0.01 -0.09 -0.23 -0.22 -2.23 0.00 0.00 178.31 175.55 1daj h LYS 37 N -0.07 -0.04 0.15 1.11 3.64 -1.50 0.24 116.57 120.11 1daj h LYS 37 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1daj h LYS 37 Cb 0.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1daj h LYS 37 CO -0.13 -0.03 -0.23 -0.09 -2.27 0.00 0.00 179.45 176.71 1daj h ARG 38 N -0.04 -0.38 -0.11 1.90 2.43 -0.10 -1.72 114.38 116.35 1daj h ARG 38 Ca 0.32 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1daj h ARG 38 Cb 0.54 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1daj h ARG 38 CO -0.74 -0.26 -0.33 0.28 -1.51 0.00 0.00 179.97 177.42 1daj h VAL 39 N -0.40 0.28 0.00 0.20 2.07 0.26 -1.85 116.25 116.81 1daj h VAL 39 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1daj h VAL 39 Cb 0.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1daj h VAL 39 CO -0.07 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.87 1daj n THR 40 N -5.41 0.63 -0.04 2.57 -2.24 0.77 -3.00 114.28 107.55 1daj n THR 40 Ca -0.03 0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1daj n THR 40 Cb 0.33 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1daj n THR 40 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1daj n SER 41 N -1.28 2.44 -4.52 3.42 7.64 -0.66 -4.74 113.62 115.93 1daj n SER 41 Ca 0.06 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.42 1daj n SER 41 Cb 0.10 0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 64.13 1daj n SER 41 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1daj n PHE 42 N -2.29 1.76 -4.65 1.43 7.35 -0.75 -4.78 117.46 115.52 1daj n PHE 42 Ca -0.14 0.33 -0.24 0.00 -0.76 0.00 0.00 57.45 56.63 1daj n PHE 42 Cb 0.74 -2.52 -0.16 0.00 0.35 0.00 0.00 39.48 37.89 1daj n PHE 42 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1daj s VAL 43 N 6.09 1.18 0.21 -2.13 1.01 -1.26 -4.96 120.40 120.54 1daj s VAL 43 Ca 1.06 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 62.15 1daj s VAL 43 Cb -0.92 -1.04 -0.13 0.00 0.00 0.00 0.00 36.38 34.29 1daj s VAL 43 CO 0.54 0.35 1.61 -2.65 0.00 0.00 0.00 175.10 174.95 1daj n PRO 44 N 3.35 2.44 -0.30 2.72 -0.02 -1.26 -4.53 135.00 137.41 1daj n PRO 44 Ca -0.19 0.88 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 1daj n PRO 44 Cb 0.53 -2.66 0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1daj n PRO 44 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1daj h THR 45 N 3.57 0.11 -0.46 3.45 1.35 -1.99 0.97 112.91 119.91 1daj h THR 45 Ca -0.45 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.54 1daj h THR 45 Cb 1.23 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1daj h THR 45 CO 0.88 0.00 0.33 0.15 -0.25 0.00 0.00 175.52 176.63 1daj h PHE 46 N -0.04 0.09 0.00 4.73 3.57 -2.05 0.28 116.94 123.52 1daj h PHE 46 Ca 0.36 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1daj h PHE 46 Cb 0.60 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1daj h PHE 46 CO -0.71 0.04 -1.25 -0.25 -2.23 0.00 0.00 178.31 173.91 1daj n ASP 47 N -4.42 0.66 0.00 0.41 8.00 0.77 -4.20 116.55 117.77 1daj n ASP 47 Ca 0.08 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1daj n ASP 47 Cb 0.49 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 1daj n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1daj n SER 48 N -2.59 0.00 -0.06 -2.24 7.64 0.30 -2.14 113.62 114.53 1daj n SER 48 Ca -0.01 0.18 -0.19 0.00 1.01 0.00 0.00 58.87 59.85 1daj n SER 48 Cb 0.57 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 1daj n SER 48 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1daj h PHE 49 N 0.00 0.11 0.00 1.43 0.04 -1.73 -3.43 116.94 113.36 1daj h PHE 49 Ca 0.00 -0.08 -0.25 0.00 2.80 0.00 0.00 57.97 60.43 1daj h PHE 49 Cb 0.38 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.48 1daj h PHE 49 CO 0.00 1.34 -1.96 -0.85 -0.60 0.00 0.00 178.31 176.24 1daj n GLU 50 N -4.37 1.72 -2.69 1.51 0.00 -0.91 -5.05 120.64 110.85 1daj n GLU 50 Ca -0.23 -0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.53 1daj n GLU 50 Cb 0.67 -1.36 -0.06 0.00 0.00 0.00 0.00 31.44 30.69 1daj n GLU 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1daj s SER 51 N -4.72 7.55 0.05 -1.84 0.01 -0.96 -2.14 113.70 111.66 1daj s SER 51 Ca -0.07 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.21 1daj s SER 51 Cb 0.04 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1daj s SER 51 CO 0.57 0.08 -0.05 -0.04 0.41 0.00 0.00 173.24 174.20 1daj s MET 52 N -1.15 0.58 0.39 12.44 -1.94 -0.42 -4.75 119.30 124.45 1daj s MET 52 Ca 0.42 -0.98 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1daj s MET 52 Cb -0.27 -0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.49 1daj s MET 52 CO 0.34 -0.03 0.59 -0.80 -0.01 0.00 0.00 175.02 175.11 1daj s ASN 53 N -2.25 6.05 -0.08 3.03 0.01 -1.26 -0.04 114.94 120.40 1daj s ASN 53 Ca -0.02 0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1daj s ASN 53 Cb -0.02 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1daj s ASN 53 CO -0.04 -0.49 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.16 1daj s VAL 54 N -2.40 1.82 -0.25 1.60 1.01 0.74 -1.17 120.40 121.75 1daj s VAL 54 Ca 0.44 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1daj s VAL 54 Cb -0.10 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1daj s VAL 54 CO 0.36 0.51 -0.04 0.68 0.00 0.00 0.00 175.10 176.61 1daj s VAL 55 N 0.31 3.02 -0.17 2.92 -7.23 0.09 0.28 120.40 119.61 1daj s VAL 55 Ca -0.15 -0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.96 1daj s VAL 55 Cb -0.16 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1daj s VAL 55 CO 0.07 0.19 0.14 -0.76 -0.31 0.00 0.00 175.10 174.42 1daj s LEU 56 N 1.35 4.29 0.01 1.32 1.43 0.92 -2.17 118.68 125.83 1daj s LEU 56 Ca 0.01 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 1daj s LEU 56 Cb -0.17 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1daj s LEU 56 CO -0.04 0.28 0.21 0.00 0.23 0.00 0.00 176.35 177.03 1daj s MET 57 N -0.22 0.62 0.68 1.70 0.23 -1.07 0.72 119.30 121.95 1daj s MET 57 Ca 0.11 -0.42 -0.11 0.00 -1.03 0.00 0.00 55.69 54.24 1daj s MET 57 Cb -0.11 0.26 -0.00 0.00 -1.53 0.00 0.00 34.83 33.44 1daj s MET 57 CO 0.01 -0.17 1.07 0.20 -2.03 0.00 0.00 175.02 174.10 1daj s GLY 58 N -1.62 1.64 0.28 3.16 0.00 0.24 -0.47 107.32 110.55 1daj s GLY 58 Ca -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.39 1daj s GLY 58 CO 0.00 0.09 1.78 -0.09 0.00 0.00 0.00 173.10 174.88 1daj h ARG 59 N -0.54 0.70 -0.21 2.90 2.43 -1.90 -2.46 114.38 115.30 1daj h ARG 59 Ca -0.45 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 1daj h ARG 59 Cb 1.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1daj h ARG 59 CO 0.63 0.46 -0.29 0.87 -1.51 0.00 0.00 179.97 180.13 1daj h LYS 60 N 0.72 0.41 -0.30 0.20 1.57 -1.93 -2.39 116.57 114.85 1daj h LYS 60 Ca 0.52 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 59.01 1daj h LYS 60 Cb 0.74 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1daj h LYS 60 CO -0.36 0.67 -0.29 1.15 -0.57 0.00 0.00 179.45 180.04 1daj h THR 61 N 0.36 1.30 -0.30 -0.16 2.02 -1.79 -2.74 112.91 111.60 1daj h THR 61 Ca 0.05 -1.46 0.06 0.00 0.77 0.00 0.00 66.41 65.83 1daj h THR 61 Cb 0.70 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 1daj h THR 61 CO 0.05 0.47 -0.08 -0.25 0.37 0.00 0.00 175.52 176.08 1daj h TRP 62 N 0.49 -0.17 0.00 3.16 2.91 -1.21 0.12 115.95 121.26 1daj h TRP 62 Ca 0.05 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 1daj h TRP 62 Cb 0.87 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1daj h TRP 62 CO 0.07 -0.14 -0.01 0.93 -1.03 0.00 0.00 178.44 178.27 1daj h GLU 63 N -0.01 0.00 -0.00 2.65 5.08 -1.28 -1.38 114.58 119.64 1daj h GLU 63 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1daj h GLU 63 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1daj h GLU 63 CO -0.32 0.01 -0.10 0.43 -1.00 0.00 0.00 179.01 178.03 1daj n SER 64 N -3.32 0.42 -4.56 1.42 7.64 0.38 -4.74 113.62 110.87 1daj n SER 64 Ca -0.03 -0.54 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 1daj n SER 64 Cb 0.10 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 1daj n SER 64 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1daj s ILE 65 N -2.47 5.03 0.17 0.44 1.01 -0.52 -5.01 121.20 119.85 1daj s ILE 65 Ca 0.29 0.33 -0.33 0.00 0.00 0.00 0.00 60.65 60.94 1daj s ILE 65 Cb 0.20 -3.95 -0.15 0.00 0.01 0.00 0.00 42.46 38.57 1daj s ILE 65 CO 0.47 -0.20 1.27 -2.65 0.00 0.00 0.00 174.94 173.84 1daj n PRO 66 N 5.70 1.42 -0.49 2.79 -0.02 -1.26 -4.70 135.00 138.45 1daj n PRO 66 Ca -0.05 0.51 0.40 0.00 -2.02 0.00 0.00 63.50 62.34 1daj n PRO 66 Cb 0.49 -2.08 0.69 0.00 -0.02 0.00 0.00 33.50 32.58 1daj n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1daj h LEU 67 N 3.91 0.18 -0.47 2.45 3.38 -1.93 1.87 115.31 124.70 1daj h LEU 67 Ca -0.44 0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1daj h LEU 67 Cb 1.32 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1daj h LEU 67 CO 0.74 -0.14 0.31 1.56 0.09 0.00 0.00 178.44 181.00 1daj h GLN 68 N 0.06 0.61 -0.81 1.13 7.50 -2.01 -3.14 115.11 118.46 1daj h GLN 68 Ca 0.83 -0.04 -0.34 0.00 0.50 0.00 0.00 58.65 59.60 1daj h GLN 68 Cb 2.78 -0.14 -0.20 0.00 0.05 0.00 0.00 27.48 29.97 1daj h GLN 68 CO -0.32 0.40 0.40 1.19 -1.50 0.00 0.00 178.83 179.01 1daj n PHE 69 N -4.77 2.59 -5.06 2.96 3.72 0.63 -4.95 117.46 112.59 1daj n PHE 69 Ca 0.02 -1.50 -0.30 0.00 -0.05 0.00 0.00 57.45 55.62 1daj n PHE 69 Cb 0.03 -0.78 -0.17 0.00 -0.94 0.00 0.00 39.48 37.62 1daj n PHE 69 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1daj s ARG 70 N -3.14 2.56 0.90 -1.08 0.52 -1.03 -3.54 118.95 114.14 1daj s ARG 70 Ca 0.55 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 1daj s ARG 70 Cb 0.45 -2.02 0.13 0.00 0.52 0.00 0.00 34.95 34.04 1daj s ARG 70 CO 0.11 0.19 1.16 -1.25 0.02 0.00 0.00 175.30 175.53 1daj s PRO 71 N 0.29 1.26 0.24 3.54 0.04 -1.26 -4.97 135.00 134.15 1daj s PRO 71 Ca -0.14 0.19 -0.31 0.00 0.04 0.00 0.00 61.00 60.79 1daj s PRO 71 Cb -0.16 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1daj s PRO 71 CO 0.06 -2.09 1.55 -0.51 0.04 0.00 0.00 177.00 176.05 1daj s LEU 72 N -5.93 4.37 -0.05 -3.56 1.43 -1.23 -4.94 118.68 108.76 1daj s LEU 72 Ca 0.64 2.79 -0.24 0.00 -1.03 0.00 0.00 54.13 56.28 1daj s LEU 72 Cb -0.13 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1daj s LEU 72 CO 0.52 -0.84 0.73 -0.54 0.23 0.00 0.00 176.35 176.46 1daj s LYS 73 N 0.05 4.45 0.00 1.70 1.02 -1.26 -3.70 119.74 122.00 1daj s LYS 73 Ca 0.65 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1daj s LYS 73 Cb -0.45 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1daj s LYS 73 CO 0.41 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1daj n GLY 74 N 3.03 0.76 3.04 -3.33 0.00 -1.26 -5.01 105.19 102.42 1daj n GLY 74 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1daj n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1daj s ARG 75 N -0.63 0.47 -0.13 1.61 0.52 -1.24 -4.47 118.95 115.08 1daj s ARG 75 Ca 0.00 -0.70 -0.26 0.00 -0.52 0.00 0.00 55.73 54.25 1daj s ARG 75 Cb 0.00 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.25 1daj s ARG 75 CO 0.00 0.03 0.86 0.42 0.02 0.00 0.00 175.30 176.63 1daj s ILE 76 N -1.35 4.88 0.01 1.52 1.01 -0.32 -4.73 121.20 122.22 1daj s ILE 76 Ca -0.11 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.28 1daj s ILE 76 Cb -0.10 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1daj s ILE 76 CO 0.00 0.06 0.01 0.20 0.00 0.00 0.00 174.94 175.21 1daj s ASN 77 N 1.09 5.15 -0.16 3.58 0.02 -1.26 -0.74 114.94 122.61 1daj s ASN 77 Ca 0.41 -0.01 -0.04 0.00 -1.02 0.00 0.00 52.86 52.20 1daj s ASN 77 Cb -0.17 -1.34 0.07 0.00 0.02 0.00 0.00 41.25 39.82 1daj s ASN 77 CO 0.15 0.27 0.15 -0.69 0.02 0.00 0.00 177.10 177.00 1daj s VAL 78 N -1.11 -0.21 -0.18 1.60 1.01 -0.92 -3.45 120.40 117.15 1daj s VAL 78 Ca 0.20 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1daj s VAL 78 Cb -0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1daj s VAL 78 CO 0.11 -0.16 0.64 -0.69 0.00 0.00 0.00 175.10 175.00 1daj s VAL 79 N 2.23 5.02 -0.31 2.92 1.01 -0.75 -2.60 120.40 127.93 1daj s VAL 79 Ca 0.04 1.23 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 1daj s VAL 79 Cb -0.15 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1daj s VAL 79 CO -0.09 0.14 0.76 -0.63 0.00 0.00 0.00 175.10 175.27 1daj s ILE 80 N 1.71 4.82 -0.21 2.22 -1.09 0.38 -2.30 121.20 126.73 1daj s ILE 80 Ca 0.30 1.12 -0.09 0.00 -2.23 0.00 0.00 60.65 59.75 1daj s ILE 80 Cb -0.16 -4.12 0.09 0.00 -1.58 0.00 0.00 42.46 36.69 1daj s ILE 80 CO 0.11 -0.23 0.47 0.28 -1.23 0.00 0.00 174.94 174.34 1daj s THR 81 N 2.89 -0.46 -0.06 2.92 -1.32 0.38 -3.14 115.64 116.86 1daj s THR 81 Ca 0.31 0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.69 1daj s THR 81 Cb -0.14 -0.73 -0.30 0.00 -1.51 0.00 0.00 72.50 69.82 1daj s THR 81 CO 0.12 0.05 0.82 0.03 -2.21 0.00 0.00 174.62 173.43 1daj h ARG 82 N 7.74 0.28 -2.23 7.08 3.08 -1.81 -3.34 114.38 125.18 1daj h ARG 82 Ca -0.23 -0.47 -0.30 0.00 0.07 0.00 0.00 59.98 59.04 1daj h ARG 82 Cb 1.14 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 1daj h ARG 82 CO 0.17 1.23 0.61 0.09 -1.07 0.00 0.00 179.97 180.99 1daj n ASN 83 N -4.11 6.07 -4.64 7.04 4.13 -1.26 -4.79 115.26 117.70 1daj n ASN 83 Ca -0.16 -2.50 -0.41 0.00 1.68 0.00 0.00 54.58 53.19 1daj n ASN 83 Cb 0.83 -1.45 -0.06 0.00 -1.54 0.00 0.00 39.78 37.55 1daj n ASN 83 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1daj s GLU 84 N 1.27 4.15 -0.12 3.52 4.04 -1.25 -4.82 118.70 125.49 1daj s GLU 84 Ca 0.68 0.63 -0.08 0.00 0.04 0.00 0.00 54.97 56.23 1daj s GLU 84 Cb 0.29 -3.63 -0.06 0.00 0.02 0.00 0.00 34.13 30.75 1daj s GLU 84 CO -0.01 -0.38 -0.19 0.43 -1.84 0.00 0.00 175.26 173.26 1daj n SER 85 N 5.58 1.22 -3.23 0.83 7.64 -1.26 -4.99 113.62 119.42 1daj n SER 85 Ca 0.00 0.20 0.04 0.00 1.01 0.00 0.00 58.87 60.12 1daj n SER 85 Cb 0.49 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1daj n SER 85 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1daj s LEU 86 N -7.03 -0.67 0.76 -3.43 -0.00 -1.26 -5.16 118.68 101.89 1daj s LEU 86 Ca -0.19 0.56 -0.12 0.00 -0.00 0.00 0.00 54.13 54.38 1daj s LEU 86 Cb 0.06 1.62 0.05 0.00 -0.00 0.00 0.00 46.19 47.92 1daj s LEU 86 CO 0.26 -0.13 1.12 -0.62 -0.00 0.00 0.00 176.35 176.98 1daj s ASP 87 N 2.79 4.94 -0.24 1.48 2.15 -1.26 -5.05 116.67 121.48 1daj s ASP 87 Ca 0.03 1.08 -0.02 0.00 0.43 0.00 0.00 52.55 54.06 1daj s ASP 87 Cb -0.10 -1.78 0.07 0.00 -0.30 0.00 0.00 42.92 40.81 1daj s ASP 87 CO -0.15 -1.66 0.06 -0.22 -0.17 0.00 0.00 175.17 173.03 1daj s LEU 88 N -5.53 1.44 -0.30 -1.34 2.96 -1.26 -5.09 118.68 109.57 1daj s LEU 88 Ca 0.60 -1.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.14 1daj s LEU 88 Cb -0.12 -0.66 0.20 0.00 0.50 0.00 0.00 46.19 46.11 1daj s LEU 88 CO 0.52 -0.35 1.43 -0.83 -1.32 0.00 0.00 176.35 175.80 1daj s GLY 89 N 1.80 0.26 -1.33 7.98 0.00 -1.26 -5.02 107.32 109.75 1daj s GLY 89 Ca 0.03 3.26 -0.07 0.00 0.00 0.00 0.00 44.72 47.93 1daj s GLY 89 CO -0.15 1.55 2.24 0.70 0.00 0.00 0.00 173.10 177.44 1daj n ASN 90 N 1.05 6.92 0.00 1.64 4.13 -1.26 -3.96 115.26 123.78 1daj n ASN 90 Ca -0.05 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.13 1daj n ASN 90 Cb 0.58 -1.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.39 1daj n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1daj n GLY 91 N 2.31 1.49 2.88 7.41 0.00 -1.26 -5.07 105.19 112.95 1daj n GLY 91 Ca 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1daj n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1daj s ILE 92 N -2.00 1.89 0.74 -0.61 1.09 -1.25 -4.76 121.20 116.29 1daj s ILE 92 Ca 0.00 -2.44 -0.15 0.00 -1.10 0.00 0.00 60.65 56.97 1daj s ILE 92 Cb 0.00 -2.36 0.04 0.00 -1.06 0.00 0.00 42.46 39.08 1daj s ILE 92 CO 0.00 -0.73 1.19 -1.00 -0.10 0.00 0.00 174.94 174.31 1daj s HIS 93 N 0.64 2.08 -0.14 3.97 3.76 -1.22 -4.66 115.29 119.71 1daj s HIS 93 Ca 0.14 1.61 -0.01 0.00 -0.15 0.00 0.00 55.06 56.64 1daj s HIS 93 Cb -0.22 -3.43 0.04 0.00 1.11 0.00 0.00 32.58 30.09 1daj s HIS 93 CO -0.08 -2.53 -0.01 0.45 -0.85 0.00 0.00 174.74 171.72 1daj s SER 94 N -2.15 2.45 0.12 1.40 0.15 -1.26 -1.81 113.70 112.60 1daj s SER 94 Ca 0.73 -0.52 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1daj s SER 94 Cb -0.28 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 1daj s SER 94 CO 0.46 -0.22 -0.08 0.00 1.20 0.00 0.00 173.24 174.60 1daj s ALA 95 N 1.81 3.01 -0.66 5.45 0.00 -0.97 -4.98 121.76 125.41 1daj s ALA 95 Ca 0.02 -1.29 0.25 0.00 0.00 0.00 0.00 51.96 50.94 1daj s ALA 95 Cb -0.15 -0.90 0.62 0.00 0.00 0.00 0.00 23.12 22.69 1daj s ALA 95 CO -0.07 0.60 1.63 1.57 0.00 0.00 0.00 175.76 179.49 1daj h LYS 96 N 3.37 0.00 -2.50 0.00 2.10 -1.88 0.11 116.57 117.77 1daj h LYS 96 Ca -0.48 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.32 1daj h LYS 96 Cb 1.18 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.44 1daj h LYS 96 CO 0.54 0.00 0.43 -1.54 -2.00 0.00 0.00 179.45 176.88 1daj s SER 97 N -4.70 -0.17 0.43 7.07 1.04 -1.26 -4.03 113.70 112.08 1daj s SER 97 Ca 0.09 -0.49 0.14 0.00 0.48 0.00 0.00 55.95 56.17 1daj s SER 97 Cb 0.12 0.55 1.03 0.00 0.10 0.00 0.00 66.02 67.81 1daj s SER 97 CO 0.64 -1.02 1.97 0.25 0.98 0.00 0.00 173.24 176.05 1daj h LEU 98 N 2.00 0.38 0.00 2.42 5.85 -1.97 0.44 115.31 124.43 1daj h LEU 98 Ca -0.24 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1daj h LEU 98 Cb 1.23 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1daj h LEU 98 CO 0.26 0.22 -1.30 0.44 -0.34 0.00 0.00 178.44 177.73 1daj h ASP 99 N 0.42 0.00 -0.13 1.25 3.32 -1.97 -2.99 116.42 116.32 1daj h ASP 99 Ca 0.29 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 1daj h ASP 99 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1daj h ASP 99 CO -0.08 0.51 -0.36 0.45 -1.72 0.00 0.00 179.24 178.04 1daj h HIS 100 N 0.00 0.61 -0.34 4.55 3.86 -1.83 -2.44 115.15 119.56 1daj h HIS 100 Ca -0.13 -0.24 0.06 0.00 -1.16 0.00 0.00 60.37 58.89 1daj h HIS 100 Cb 1.51 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.82 1daj h HIS 100 CO 0.00 0.98 0.02 0.00 0.86 0.00 0.00 177.93 179.79 1daj h ALA 101 N 0.52 0.32 0.00 2.45 0.00 -0.22 -1.64 119.26 120.69 1daj h ALA 101 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1daj h ALA 101 Cb 0.98 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1daj h ALA 101 CO 0.08 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1daj n LEU 102 N -5.15 0.57 -0.21 0.00 4.77 -1.13 -2.21 117.00 113.64 1daj n LEU 102 Ca 0.01 0.70 0.06 0.00 -0.03 0.00 0.00 56.01 56.75 1daj n LEU 102 Cb 0.17 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1daj n LEU 102 CO 0.23 -0.74 0.17 -1.84 -1.33 0.00 0.00 177.39 173.88 1daj n GLU 103 N -2.20 2.23 0.00 3.23 0.28 -0.69 -3.55 120.64 119.95 1daj n GLU 103 Ca 0.00 -0.53 -0.18 0.00 -0.16 0.00 0.00 57.16 56.30 1daj n GLU 103 Cb 0.13 -1.12 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1daj n GLU 103 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1daj h LEU 104 N 1.04 0.29 -0.12 -1.84 5.85 -0.87 -0.72 115.31 118.94 1daj h LEU 104 Ca 0.00 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 57.75 1daj h LEU 104 Cb 0.38 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1daj h LEU 104 CO 0.00 1.29 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.27 1daj h LEU 105 N -0.59 0.25 -1.17 2.25 3.38 -1.66 2.39 115.31 120.16 1daj h LEU 105 Ca -0.12 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1daj h LEU 105 Cb 1.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1daj h LEU 105 CO 0.08 0.60 0.16 1.88 0.09 0.00 0.00 178.44 181.25 1daj h TYR 106 N -0.10 0.75 0.06 1.13 0.05 -1.68 1.64 116.97 118.82 1daj h TYR 106 Ca 0.03 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1daj h TYR 106 Cb 0.50 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1daj h TYR 106 CO 0.06 0.61 -0.03 -0.09 -1.05 0.00 0.00 178.16 177.67 1daj h ARG 107 N 0.73 -0.08 0.00 4.88 2.43 -0.84 -3.35 114.38 118.15 1daj h ARG 107 Ca 0.17 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1daj h ARG 107 Cb 0.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1daj h ARG 107 CO -0.01 0.25 0.00 1.15 -1.51 0.00 0.00 179.97 179.85 1daj h THR 108 N -0.99 0.00 -2.10 0.20 2.02 0.41 -3.37 112.91 109.08 1daj h THR 108 Ca -0.01 -0.44 -0.54 0.00 0.77 0.00 0.00 66.41 66.19 1daj h THR 108 Cb 0.37 1.34 -0.41 0.00 -1.74 0.00 0.00 68.15 67.71 1daj h THR 108 CO 0.01 0.00 -0.95 -1.22 0.37 0.00 0.00 175.52 173.73 1daj n TYR 109 N -2.74 1.58 -4.46 3.16 4.01 0.56 -4.91 117.16 114.35 1daj n TYR 109 Ca 0.02 -3.86 -0.30 0.00 -0.16 0.00 0.00 57.90 53.59 1daj n TYR 109 Cb 0.30 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 38.84 1daj n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1daj n GLY 110 N 0.41 3.29 0.11 2.72 0.00 -1.26 -4.69 105.19 105.77 1daj n GLY 110 Ca 0.27 -2.35 0.08 0.00 0.00 0.00 0.00 46.02 44.02 1daj n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1daj n SER 111 N -1.48 0.00 -0.28 1.61 3.41 -1.26 0.26 113.62 115.88 1daj n SER 111 Ca -0.15 0.16 0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1daj n SER 111 Cb 0.64 -0.08 0.60 0.00 -0.26 0.00 0.00 64.21 65.11 1daj n SER 111 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1daj n GLU 112 N -2.36 1.22 -3.96 4.33 0.00 -1.26 -4.84 120.64 113.77 1daj n GLU 112 Ca 0.07 -0.56 -0.36 0.00 0.00 0.00 0.00 57.16 56.31 1daj n GLU 112 Cb 0.30 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 1daj n GLU 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1daj s SER 113 N -2.17 6.20 0.00 4.31 0.01 0.73 -4.95 113.70 117.83 1daj s SER 113 Ca 0.36 0.39 0.19 0.00 1.31 0.00 0.00 55.95 58.21 1daj s SER 113 Cb 0.21 -1.96 0.99 0.00 0.21 0.00 0.00 66.02 65.46 1daj s SER 113 CO 0.40 0.38 1.66 -1.20 0.41 0.00 0.00 173.24 174.88 1daj n SER 114 N 1.82 0.52 -3.86 2.44 7.64 -1.26 -4.58 113.62 116.35 1daj n SER 114 Ca -0.18 -1.51 -0.25 0.00 1.01 0.00 0.00 58.87 57.93 1daj n SER 114 Cb 0.54 -0.03 -0.17 0.00 -1.01 0.00 0.00 64.21 63.54 1daj n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1daj s VAL 115 N -1.93 0.81 0.42 0.44 1.01 -1.26 -4.78 120.40 115.10 1daj s VAL 115 Ca 0.29 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1daj s VAL 115 Cb 0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1daj s VAL 115 CO 0.23 0.33 0.28 -1.10 0.00 0.00 0.00 175.10 174.84 1daj s GLN 116 N 1.78 2.38 0.01 2.72 -1.52 -0.91 -4.58 119.66 119.54 1daj s GLN 116 Ca 0.05 -1.69 0.06 0.00 -1.95 0.00 0.00 55.36 51.83 1daj s GLN 116 Cb -0.12 -2.18 -0.02 0.00 -0.22 0.00 0.00 33.01 30.46 1daj s GLN 116 CO -0.07 -0.16 -0.18 0.42 -0.25 0.00 0.00 175.29 175.05 1daj s ILE 117 N -2.54 1.43 0.00 1.08 1.01 -1.25 -1.30 121.20 119.63 1daj s ILE 117 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1daj s ILE 117 Cb 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1daj s ILE 117 CO 0.25 0.30 0.00 -3.20 0.00 0.00 0.00 174.94 172.29 1daj n ASN 118 N 2.34 0.00 -4.44 3.58 4.05 0.94 -4.81 115.26 116.93 1daj n ASN 118 Ca -0.16 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.57 1daj n ASN 118 Cb 0.54 -0.38 -0.13 0.00 1.23 0.00 0.00 39.78 41.03 1daj n ASN 118 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1daj s ARG 119 N -0.91 2.01 -0.12 1.20 0.52 -1.26 -4.99 118.95 115.40 1daj s ARG 119 Ca 0.00 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1daj s ARG 119 Cb 0.00 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1daj s ARG 119 CO 0.00 0.53 -0.15 0.42 0.02 0.00 0.00 175.30 176.12 1daj s ILE 120 N -0.91 2.86 0.03 1.52 -1.09 -1.26 0.26 121.20 122.62 1daj s ILE 120 Ca 0.14 -0.74 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 1daj s ILE 120 Cb -0.10 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 1daj s ILE 120 CO 0.05 0.54 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.78 1daj s PHE 121 N 0.26 1.37 -0.40 3.97 0.40 0.78 -2.70 117.98 121.67 1daj s PHE 121 Ca -0.11 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 1daj s PHE 121 Cb -0.16 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1daj s PHE 121 CO 0.06 0.04 0.27 0.08 0.70 0.00 0.00 175.22 176.36 1daj s VAL 122 N -0.73 4.95 -1.23 -0.44 1.01 -0.33 0.31 120.40 123.95 1daj s VAL 122 Ca 0.04 -0.79 0.17 0.00 0.00 0.00 0.00 61.98 61.39 1daj s VAL 122 Cb -0.08 -3.78 0.54 0.00 0.00 0.00 0.00 36.38 33.06 1daj s VAL 122 CO 0.01 -0.30 1.45 2.30 0.00 0.00 0.00 175.10 178.56 1daj n ILE 123 N 5.09 1.33 0.00 2.22 -5.35 0.22 -1.54 119.36 121.32 1daj n ILE 123 Ca -0.11 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 1daj n ILE 123 Cb 0.46 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 1daj n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1daj n GLY 124 N 0.93 0.72 0.00 3.28 0.00 -1.23 -4.93 105.19 103.96 1daj n GLY 124 Ca 0.20 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1daj n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1daj n GLY 125 N -0.77 1.94 0.07 -0.02 0.00 -1.26 -0.59 105.19 104.56 1daj n GLY 125 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 1daj n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1daj h ALA 126 N -0.93 -0.36 -0.56 4.61 0.00 -1.97 0.34 119.26 120.39 1daj h ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1daj h ALA 126 Cb 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1daj h ALA 126 CO 0.00 -0.40 0.35 1.96 0.00 0.00 0.00 179.25 181.16 1daj h GLN 127 N -0.06 0.74 0.00 0.00 4.20 -1.94 -1.57 115.11 116.48 1daj h GLN 127 Ca 0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1daj h GLN 127 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1daj h GLN 127 CO -0.10 0.51 -0.32 1.25 -0.67 0.00 0.00 178.83 179.49 1daj h LEU 128 N 0.76 0.00 -0.23 1.46 7.12 -1.79 -2.65 115.31 119.98 1daj h LEU 128 Ca 0.20 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 58.00 1daj h LEU 128 Cb -0.06 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1daj h LEU 128 CO -0.04 0.32 -0.72 1.88 -0.13 0.00 0.00 178.44 179.75 1daj h TYR 129 N 0.00 1.00 -0.11 1.25 0.05 -0.03 -2.86 116.97 116.27 1daj h TYR 129 Ca -0.00 -0.42 0.01 0.00 0.05 0.00 0.00 58.73 58.37 1daj h TYR 129 Cb 0.92 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1daj h TYR 129 CO 0.00 1.24 0.03 0.87 -1.05 0.00 0.00 178.16 179.25 1daj h LYS 130 N 0.53 0.08 0.00 4.88 1.57 -0.96 -1.17 116.57 121.49 1daj h LYS 130 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1daj h LYS 130 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1daj h LYS 130 CO 0.15 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1daj h ALA 131 N 1.07 1.00 0.17 3.86 0.00 -1.60 -2.80 119.26 120.97 1daj h ALA 131 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1daj h ALA 131 Cb 0.03 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1daj h ALA 131 CO -0.06 0.00 -1.03 0.00 0.00 0.00 0.00 179.25 178.16 1daj h ALA 132 N 2.00 -0.11 -0.10 0.00 0.00 -1.29 -2.85 119.26 116.91 1daj h ALA 132 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 1daj h ALA 132 Cb 0.67 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1daj h ALA 132 CO 0.00 0.48 -0.17 0.52 0.00 0.00 0.00 179.25 180.08 1daj h MET 133 N -0.18 0.16 0.00 0.00 2.07 -1.06 -2.77 114.93 113.15 1daj h MET 133 Ca -0.18 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.41 1daj h MET 133 Cb 1.81 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.52 1daj h MET 133 CO 0.19 0.34 -0.97 -0.44 1.07 0.00 0.00 176.91 177.11 1daj h ASP 134 N 0.15 0.00 -2.76 1.22 3.32 -1.56 -3.47 116.42 113.32 1daj h ASP 134 Ca 0.03 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1daj h ASP 134 Cb 0.40 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.99 1daj h ASP 134 CO 0.03 0.02 0.93 -2.28 -1.72 0.00 0.00 179.24 176.21 1daj s HIS 135 N -3.34 2.82 -1.80 4.55 2.46 -1.05 -4.89 115.29 114.03 1daj s HIS 135 Ca 0.00 0.49 0.04 0.00 0.47 0.00 0.00 55.06 56.06 1daj s HIS 135 Cb 0.10 -3.96 0.25 0.00 -0.13 0.00 0.00 32.58 28.83 1daj s HIS 135 CO 0.78 -3.67 0.81 -2.30 -2.47 0.00 0.00 174.74 167.90 1daj n PRO 136 N 4.55 0.11 -0.13 2.88 -0.02 -1.26 -2.58 135.00 138.55 1daj n PRO 136 Ca 0.15 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 1daj n PRO 136 Cb 0.39 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.49 1daj n PRO 136 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1daj n LYS 137 N -1.10 2.30 -3.24 -0.52 4.76 -1.26 -4.92 118.16 114.18 1daj n LYS 137 Ca 0.03 -1.82 -0.40 0.00 -2.87 0.00 0.00 58.31 53.25 1daj n LYS 137 Cb 0.02 -1.25 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 1daj n LYS 137 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1daj s LEU 138 N -0.98 4.16 0.00 -0.35 1.98 -1.06 -0.56 118.68 121.86 1daj s LEU 138 Ca 0.20 0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.74 1daj s LEU 138 Cb 0.11 -2.63 0.00 0.00 0.66 0.00 0.00 46.19 44.33 1daj s LEU 138 CO 0.15 -0.37 0.35 -0.90 -1.89 0.00 0.00 176.35 173.70 1daj n ASP 139 N 5.63 0.22 -3.72 3.68 5.75 -1.17 -4.91 116.55 122.04 1daj n ASP 139 Ca -0.04 -1.08 -0.12 0.00 -0.01 0.00 0.00 54.79 53.53 1daj n ASP 139 Cb 0.49 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.46 1daj n ASP 139 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1daj s ARG 140 N -0.08 0.22 -0.25 0.11 3.52 -1.25 -1.52 118.95 119.70 1daj s ARG 140 Ca 0.00 0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1daj s ARG 140 Cb 0.00 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1daj s ARG 140 CO 0.00 -0.18 -0.10 0.42 -0.81 0.00 0.00 175.30 174.63 1daj s ILE 141 N 1.40 2.38 -0.96 4.11 1.01 0.50 -1.56 121.20 128.07 1daj s ILE 141 Ca -0.08 -1.40 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 1daj s ILE 141 Cb -0.10 -2.31 0.16 0.00 0.01 0.00 0.00 42.46 40.23 1daj s ILE 141 CO -0.09 0.08 1.10 -0.04 0.00 0.00 0.00 174.94 175.99 1daj s MET 142 N 1.19 3.72 -0.02 2.79 -1.94 0.04 -0.91 119.30 124.16 1daj s MET 142 Ca -0.05 -2.13 0.05 0.00 -1.71 0.00 0.00 55.69 51.85 1daj s MET 142 Cb -0.18 -4.82 -0.03 0.00 2.01 0.00 0.00 34.83 31.81 1daj s MET 142 CO -0.06 -1.64 -0.15 0.00 -0.01 0.00 0.00 175.02 173.17 1daj s ALA 143 N 1.75 2.67 -0.21 3.03 0.00 -0.49 -1.68 121.76 126.83 1daj s ALA 143 Ca 0.31 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1daj s ALA 143 Cb -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1daj s ALA 143 CO -0.08 0.57 0.07 0.99 0.00 0.00 0.00 175.76 177.31 1daj s THR 144 N -0.81 4.59 -0.22 0.00 2.01 0.12 -0.43 115.64 120.90 1daj s THR 144 Ca 0.13 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1daj s THR 144 Cb -0.11 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 1daj s THR 144 CO 0.02 0.40 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 1daj s ILE 145 N 0.95 3.14 -0.30 1.82 -1.09 0.36 -1.32 121.20 124.76 1daj s ILE 145 Ca 0.04 -0.60 -0.16 0.00 -2.23 0.00 0.00 60.65 57.69 1daj s ILE 145 Cb -0.14 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1daj s ILE 145 CO 0.03 0.42 0.43 -0.63 -1.23 0.00 0.00 174.94 173.96 1daj s ILE 146 N 1.44 5.12 -0.07 2.92 1.01 -0.88 -1.19 121.20 129.55 1daj s ILE 146 Ca 0.05 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 1daj s ILE 146 Cb -0.14 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.37 1daj s ILE 146 CO -0.05 0.00 3.11 -1.22 0.00 0.00 0.00 174.94 176.79 1daj n TYR 147 N 5.48 0.26 -3.75 3.97 4.01 0.22 -2.61 117.16 124.75 1daj n TYR 147 Ca -0.07 -1.47 -0.13 0.00 -0.16 0.00 0.00 57.90 56.07 1daj n TYR 147 Cb 0.50 -1.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.08 1daj n TYR 147 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1daj s LYS 148 N 0.34 0.19 -1.25 -0.72 2.20 -1.26 -4.60 119.74 114.64 1daj s LYS 148 Ca 0.50 0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 56.38 1daj s LYS 148 Cb 0.26 -0.07 0.09 0.00 -1.51 0.00 0.00 37.83 36.60 1daj s LYS 148 CO -0.03 -0.13 1.64 0.34 -0.36 0.00 0.00 175.35 176.81 1daj s ASP 149 N 0.94 6.86 -0.19 1.43 -1.08 -1.26 -4.55 116.67 118.81 1daj s ASP 149 Ca -0.07 -2.48 -0.19 0.00 -0.52 0.00 0.00 52.55 49.29 1daj s ASP 149 Cb -0.08 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.81 1daj s ASP 149 CO -0.06 -1.10 0.56 -0.63 0.52 0.00 0.00 175.17 174.46 1daj s ILE 150 N 3.67 5.08 -0.15 4.11 1.01 -1.26 -4.98 121.20 128.68 1daj s ILE 150 Ca 0.50 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 1daj s ILE 150 Cb 0.02 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1daj s ILE 150 CO 0.04 0.16 2.13 1.57 0.00 0.00 0.00 174.94 178.85 1daj n HIS 151 N 4.80 2.11 -4.61 3.97 -0.00 -1.26 -4.90 115.22 115.32 1daj n HIS 151 Ca -0.04 -0.15 -0.30 0.00 -0.00 0.00 0.00 57.72 57.23 1daj n HIS 151 Cb 0.50 -2.73 -0.13 0.00 -0.00 0.00 0.00 29.99 27.63 1daj n HIS 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1daj n ASP 153 N 1.35 0.21 -4.37 0.00 5.68 0.29 -4.92 116.55 114.79 1daj n ASP 153 Ca -0.17 0.09 -0.32 0.00 -0.50 0.00 0.00 54.79 53.89 1daj n ASP 153 Cb 0.52 1.11 -0.15 0.00 -1.14 0.00 0.00 41.12 41.46 1daj n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1daj s VAL 154 N -2.91 2.71 0.21 2.12 0.11 -1.18 -5.00 120.40 116.46 1daj s VAL 154 Ca -0.08 -0.82 0.10 0.00 -2.93 0.00 0.00 61.98 58.25 1daj s VAL 154 Cb 0.09 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1daj s VAL 154 CO 0.85 0.56 -0.15 -0.36 -3.33 0.00 0.00 175.10 172.68 1daj s PHE 155 N -0.20 2.48 -0.00 1.54 0.40 -1.26 -1.40 117.98 119.53 1daj s PHE 155 Ca -0.01 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.74 1daj s PHE 155 Cb -0.13 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1daj s PHE 155 CO 0.03 0.55 1.19 0.12 0.70 0.00 0.00 175.22 177.82 1daj s PHE 156 N -1.88 3.31 0.51 0.36 2.19 0.98 -4.83 117.98 118.61 1daj s PHE 156 Ca 0.25 1.27 0.28 0.00 0.33 0.00 0.00 56.93 59.06 1daj s PHE 156 Cb -0.08 -3.41 1.39 0.00 -1.31 0.00 0.00 43.02 39.61 1daj s PHE 156 CO 0.14 -1.25 1.87 -1.00 1.83 0.00 0.00 175.22 176.81 1daj h PRO 157 N 7.17 0.10 -4.33 10.12 0.13 -1.90 -3.42 132.00 139.88 1daj h PRO 157 Ca -0.38 -0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.28 1daj h PRO 157 Cb 1.19 -0.02 -0.34 0.00 0.13 0.00 0.00 31.00 31.96 1daj h PRO 157 CO 0.84 0.07 -0.80 -1.17 -0.23 0.00 0.00 178.00 176.72 1daj s LEU 158 N -8.77 1.52 -1.33 1.56 0.20 -1.26 -5.05 118.68 105.56 1daj s LEU 158 Ca -0.06 -0.22 -0.10 0.00 0.69 0.00 0.00 54.13 54.44 1daj s LEU 158 Cb 0.22 -0.66 0.13 0.00 -0.43 0.00 0.00 46.19 45.45 1daj s LEU 158 CO 0.78 -0.00 2.06 0.29 -0.29 0.00 0.00 176.35 179.18 1daj n LYS 159 N 3.88 3.63 0.26 1.98 5.02 -1.26 -4.78 118.16 126.90 1daj n LYS 159 Ca -0.24 -3.30 0.10 0.00 -2.02 0.00 0.00 58.31 52.85 1daj n LYS 159 Cb 0.51 -2.94 0.70 0.00 -0.02 0.00 0.00 35.03 33.28 1daj n LYS 159 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1daj h PHE 160 N 5.59 0.00 0.00 2.13 -0.00 -1.96 -2.87 116.94 119.83 1daj h PHE 160 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.46 1daj h PHE 160 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.52 1daj h PHE 160 CO 1.36 0.07 -0.64 0.00 -0.00 0.00 0.00 178.31 179.10 1daj h ARG 161 N 0.00 0.00 -7.20 6.09 3.08 -1.93 -3.43 114.38 110.99 1daj h ARG 161 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1daj h ARG 161 Cb 0.15 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.27 1daj h ARG 161 CO 0.01 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.78 1daj s ASP 162 N -5.60 5.62 0.37 7.04 1.11 -1.08 -4.89 116.67 119.24 1daj s ASP 162 Ca 0.02 1.86 0.15 0.00 0.18 0.00 0.00 52.55 54.76 1daj s ASP 162 Cb 0.08 -2.54 1.01 0.00 1.07 0.00 0.00 42.92 42.55 1daj s ASP 162 CO 0.75 -1.28 1.78 0.50 1.18 0.00 0.00 175.17 178.09 1daj h LYS 163 N 0.33 0.47 0.00 8.23 3.64 -1.91 -0.87 116.57 126.46 1daj h LYS 163 Ca -0.47 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1daj h LYS 163 Cb 1.23 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1daj h LYS 163 CO 0.57 0.31 -0.06 1.05 -2.27 0.00 0.00 179.45 179.05 1daj h GLU 164 N 0.48 0.00 -0.34 1.90 4.11 -1.92 -2.29 114.58 116.52 1daj h GLU 164 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1daj h GLU 164 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1daj h GLU 164 CO -0.32 0.06 0.00 0.91 0.07 0.00 0.00 179.01 179.73 1daj n TRP 165 N -3.81 0.45 1.03 2.06 7.02 -0.35 -4.73 117.44 119.11 1daj n TRP 165 Ca -0.03 -0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.02 1daj n TRP 165 Cb 0.15 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1daj n TRP 165 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1daj n SER 166 N 0.64 0.17 -0.00 -0.99 3.41 -0.86 -2.30 113.62 113.68 1daj n SER 166 Ca 0.12 -1.20 0.04 0.00 -0.26 0.00 0.00 58.87 57.57 1daj n SER 166 Cb 0.43 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1daj n SER 166 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1daj n SER 167 N -0.30 2.40 0.00 4.04 3.41 -1.26 -4.78 113.62 117.13 1daj n SER 167 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1daj n SER 167 Cb 0.04 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1daj n SER 167 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1daj n VAL 168 N -1.56 0.00 -2.18 -3.33 0.31 -0.97 -4.96 118.33 105.64 1daj n VAL 168 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1daj n VAL 168 Cb 0.16 -0.69 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 1daj n VAL 168 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1daj s TRP 169 N 0.00 2.28 0.01 3.52 0.52 -1.00 -4.43 118.94 119.83 1daj s TRP 169 Ca 0.00 0.57 0.07 0.00 0.02 0.00 0.00 56.10 56.76 1daj s TRP 169 Cb 0.00 -3.85 -0.02 0.00 -1.15 0.00 0.00 33.47 28.45 1daj s TRP 169 CO 0.00 -2.82 -0.21 0.15 0.02 0.00 0.00 176.95 174.09 1daj s LYS 170 N 4.20 1.57 -0.19 4.98 -0.14 -0.41 -4.52 119.74 125.23 1daj s LYS 170 Ca 0.67 -0.82 -0.21 0.00 -1.36 0.00 0.00 55.97 54.25 1daj s LYS 170 Cb -0.26 -1.58 -0.03 0.00 -1.68 0.00 0.00 37.83 34.28 1daj s LYS 170 CO 0.26 0.42 0.62 0.21 -0.76 0.00 0.00 175.35 176.10 1daj s LYS 171 N -0.75 4.22 0.53 1.68 2.20 -1.26 0.62 119.74 126.97 1daj s LYS 171 Ca 0.08 0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 56.17 1daj s LYS 171 Cb -0.08 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1daj s LYS 171 CO 0.00 -0.22 0.95 -1.21 -0.36 0.00 0.00 175.35 174.52 1daj s GLU 172 N 1.83 3.78 0.63 4.03 0.41 0.45 -4.99 118.70 124.84 1daj s GLU 172 Ca 0.29 0.76 -0.18 0.00 -0.41 0.00 0.00 54.97 55.43 1daj s GLU 172 Cb -0.16 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.97 1daj s GLU 172 CO 0.11 -0.33 0.83 1.63 -0.49 0.00 0.00 175.26 177.01 1daj n LYS 173 N -1.97 0.69 -0.05 1.61 5.02 -1.26 -4.71 118.16 117.50 1daj n LYS 173 Ca 0.05 0.28 0.07 0.00 -2.02 0.00 0.00 58.31 56.69 1daj n LYS 173 Cb 0.54 -2.05 0.45 0.00 -0.02 0.00 0.00 35.03 33.95 1daj n LYS 173 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1daj h HIS 174 N 0.23 0.51 0.40 2.13 -0.00 -1.99 -1.35 115.15 115.09 1daj h HIS 174 Ca -0.48 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.90 1daj h HIS 174 Cb 1.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 1daj h HIS 174 CO 0.36 0.29 -0.46 0.77 -0.00 0.00 0.00 177.93 178.89 1daj h SER 175 N 0.52 -1.27 -0.68 3.26 0.02 -2.00 -1.82 113.55 111.57 1daj h SER 175 Ca 0.22 0.11 0.14 0.00 -0.84 0.00 0.00 61.79 61.41 1daj h SER 175 Cb 0.20 0.43 -0.10 0.00 0.14 0.00 0.00 62.40 63.08 1daj h SER 175 CO -0.06 -0.60 0.17 0.44 -1.14 0.00 0.00 176.83 175.65 1daj h ASP 176 N -0.88 0.05 0.57 3.07 3.32 -1.59 -1.40 116.42 119.56 1daj h ASP 176 Ca -0.04 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1daj h ASP 176 Cb 0.80 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1daj h ASP 176 CO -0.10 0.01 -0.50 0.25 -1.72 0.00 0.00 179.24 177.18 1daj h LEU 177 N 0.29 -1.35 -0.57 1.55 6.46 -1.02 -1.38 115.31 119.29 1daj h LEU 177 Ca 0.37 0.10 0.12 0.00 -0.12 0.00 0.00 57.88 58.35 1daj h LEU 177 Cb 0.59 0.43 -0.10 0.00 -0.73 0.00 0.00 40.66 40.85 1daj h LEU 177 CO -0.45 -0.69 -0.08 -0.33 -0.62 0.00 0.00 178.44 176.27 1daj h GLU 178 N -1.05 0.04 -0.04 1.25 5.08 -0.89 -0.64 114.58 118.34 1daj h GLU 178 Ca -0.07 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1daj h GLU 178 Cb 0.89 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1daj h GLU 178 CO -0.02 0.03 -0.08 0.66 -1.00 0.00 0.00 179.01 178.60 1daj h SER 179 N 0.04 -0.24 -0.47 1.42 4.64 -1.11 0.40 113.55 118.23 1daj h SER 179 Ca 0.28 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.72 1daj h SER 179 Cb 0.44 0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.58 1daj h SER 179 CO -0.55 -0.12 0.09 -0.25 -0.87 0.00 0.00 176.83 175.14 1daj h TRP 180 N -0.12 0.15 0.00 4.77 7.01 -0.34 0.85 115.95 128.26 1daj h TRP 180 Ca 0.04 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1daj h TRP 180 Cb 0.18 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1daj h TRP 180 CO -0.16 -0.00 0.00 0.28 -2.79 0.00 0.00 178.44 175.76 1daj n VAL 181 N -5.11 0.03 0.00 2.65 0.31 -0.33 -4.90 118.33 110.97 1daj n VAL 181 Ca 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1daj n VAL 181 Cb 0.23 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1daj n VAL 181 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1daj n GLY 182 N 0.94 0.15 3.60 2.92 0.00 0.14 -4.87 105.19 108.07 1daj n GLY 182 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1daj n GLY 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1daj s THR 183 N -0.03 3.34 0.40 2.61 -4.23 -1.12 -4.82 115.64 111.78 1daj s THR 183 Ca 0.00 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 58.67 1daj s THR 183 Cb 0.00 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 1daj s THR 183 CO 0.00 -0.11 1.21 -0.75 -0.54 0.00 0.00 174.62 174.43 1daj s LYS 184 N -2.85 4.01 0.08 3.99 2.20 -1.26 -4.61 119.74 121.30 1daj s LYS 184 Ca 0.26 1.93 0.05 0.00 -0.36 0.00 0.00 55.97 57.84 1daj s LYS 184 Cb -0.09 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 1daj s LYS 184 CO 0.16 -0.38 -0.14 0.08 -0.36 0.00 0.00 175.35 174.71 1daj s VAL 185 N -1.37 1.12 0.25 4.02 1.01 -1.26 -5.09 120.40 119.08 1daj s VAL 185 Ca 0.57 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1daj s VAL 185 Cb -0.33 -1.17 -0.13 0.00 0.00 0.00 0.00 36.38 34.75 1daj s VAL 185 CO 0.41 -0.29 1.55 -2.65 0.00 0.00 0.00 175.10 174.11 1daj n PRO 186 N 1.08 2.41 -3.95 2.72 -0.02 -1.26 -4.99 135.00 130.98 1daj n PRO 186 Ca -0.20 0.86 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1daj n PRO 186 Cb 0.55 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1daj n PRO 186 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1daj s HIS 187 N 0.25 3.47 0.12 6.00 2.46 -1.26 -4.79 115.29 121.54 1daj s HIS 187 Ca 0.69 0.07 0.00 0.00 0.47 0.00 0.00 55.06 56.29 1daj s HIS 187 Cb -0.57 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.24 1daj s HIS 187 CO 0.45 0.49 0.00 0.41 -2.47 0.00 0.00 174.74 173.63 1daj n GLY 188 N -0.82 -1.84 3.78 1.59 0.00 -1.26 -4.87 105.19 101.77 1daj n GLY 188 Ca -0.08 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1daj n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1daj s LYS 189 N -1.09 4.28 -0.21 1.61 -2.85 -1.26 -4.75 119.74 115.47 1daj s LYS 189 Ca 0.00 1.51 0.02 0.00 -1.00 0.00 0.00 55.97 56.49 1daj s LYS 189 Cb 0.00 -2.64 0.04 0.00 -2.06 0.00 0.00 37.83 33.16 1daj s LYS 189 CO 0.00 -0.03 -0.16 0.42 0.10 0.00 0.00 175.35 175.68 1daj s ILE 190 N -1.61 2.06 -0.16 3.79 1.09 -0.65 -4.96 121.20 120.78 1daj s ILE 190 Ca 0.55 -1.22 -0.13 0.00 -1.10 0.00 0.00 60.65 58.75 1daj s ILE 190 Cb -0.22 -2.01 -0.05 0.00 -1.06 0.00 0.00 42.46 39.12 1daj s ILE 190 CO 0.28 0.28 0.27 0.21 -0.10 0.00 0.00 174.94 175.88 1daj s ASN 191 N 1.23 6.42 -0.36 3.58 2.47 -1.26 -1.95 114.94 125.06 1daj s ASN 191 Ca -0.01 0.49 0.03 0.00 0.42 0.00 0.00 52.86 53.78 1daj s ASN 191 Cb -0.16 -2.17 0.15 0.00 -1.45 0.00 0.00 41.25 37.63 1daj s ASN 191 CO -0.09 0.14 0.38 -0.70 -3.72 0.00 0.00 177.10 173.11 1daj s GLU 192 N 0.30 0.60 -1.09 0.43 2.12 -0.99 -4.96 118.70 115.11 1daj s GLU 192 Ca 0.15 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1daj s GLU 192 Cb -0.13 -0.64 -0.05 0.00 0.26 0.00 0.00 34.13 33.57 1daj s GLU 192 CO 0.03 -1.16 0.89 -0.25 -0.54 0.00 0.00 175.26 174.23 1daj n ASP 193 N 4.46 -5.89 0.00 -1.70 8.00 -1.26 -3.80 116.55 116.36 1daj n ASP 193 Ca 0.09 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1daj n ASP 193 Cb 0.46 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 1daj n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1daj n GLY 194 N -1.34 3.09 3.89 0.44 0.00 -1.26 -5.00 105.19 105.00 1daj n GLY 194 Ca -0.10 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1daj n GLY 194 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1daj s PHE 195 N -0.83 3.45 -0.18 1.61 0.08 -1.25 -5.03 117.98 115.83 1daj s PHE 195 Ca 0.00 0.71 -0.07 0.00 0.12 0.00 0.00 56.93 57.69 1daj s PHE 195 Cb 0.00 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1daj s PHE 195 CO 0.00 0.35 0.05 -0.51 -0.10 0.00 0.00 175.22 175.00 1daj s ASP 196 N -2.43 5.49 0.34 1.36 1.01 -1.26 -2.36 116.67 118.82 1daj s ASP 196 Ca 0.44 0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1daj s ASP 196 Cb -0.12 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1daj s ASP 196 CO 0.23 0.17 0.39 0.00 0.21 0.00 0.00 175.17 176.17 1daj n TYR 197 N 3.57 -1.15 -3.60 4.23 0.18 -0.82 0.72 117.16 120.29 1daj n TYR 197 Ca -0.17 -2.50 -0.06 0.00 1.88 0.00 0.00 57.90 57.05 1daj n TYR 197 Cb 0.52 0.43 -0.04 0.00 -0.38 0.00 0.00 39.34 39.88 1daj n TYR 197 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1daj s GLU 198 N -3.02 0.35 -0.12 -3.48 2.12 -0.33 -1.63 118.70 112.59 1daj s GLU 198 Ca 0.33 0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 1daj s GLU 198 Cb 0.00 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1daj s GLU 198 CO 0.24 -0.13 0.17 -0.06 -0.54 0.00 0.00 175.26 174.94 1daj s PHE 199 N -1.55 3.59 0.03 5.30 0.08 -1.26 0.13 117.98 124.29 1daj s PHE 199 Ca 0.05 0.55 -0.05 0.00 0.12 0.00 0.00 56.93 57.60 1daj s PHE 199 Cb -0.01 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1daj s PHE 199 CO -0.04 0.66 0.09 -1.21 -0.10 0.00 0.00 175.22 174.63 1daj s GLU 200 N -0.83 0.53 -0.12 0.44 2.02 0.43 -4.96 118.70 116.21 1daj s GLU 200 Ca 0.15 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1daj s GLU 200 Cb -0.12 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.34 1daj s GLU 200 CO 0.04 -0.13 -0.10 1.41 0.02 0.00 0.00 175.26 176.50 1daj s MET 201 N -2.11 1.78 -0.03 1.61 1.75 -1.26 -1.39 119.30 119.65 1daj s MET 201 Ca -0.09 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1daj s MET 201 Cb -0.04 -1.72 -0.03 0.00 2.84 0.00 0.00 34.83 35.88 1daj s MET 201 CO -0.02 -0.22 -0.04 -1.58 -0.65 0.00 0.00 175.02 172.51 1daj s TRP 202 N 1.51 2.98 0.04 4.11 0.52 -0.09 -0.41 118.94 127.59 1daj s TRP 202 Ca 0.02 0.04 -0.02 0.00 0.02 0.00 0.00 56.10 56.16 1daj s TRP 202 Cb -0.13 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1daj s TRP 202 CO -0.07 0.40 0.00 0.95 0.02 0.00 0.00 176.95 178.25 1daj s THR 203 N -0.96 0.16 0.05 2.01 -4.23 0.20 -0.37 115.64 112.50 1daj s THR 203 Ca 0.16 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1daj s THR 203 Cb -0.11 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 1daj s THR 203 CO 0.06 -0.73 -0.04 0.00 -0.54 0.00 0.00 174.62 173.38 1daj s ARG 204 N -2.75 0.57 -0.20 3.99 1.70 -0.58 -1.29 118.95 120.39 1daj s ARG 204 Ca -0.04 -1.07 -0.16 0.00 -0.47 0.00 0.00 55.73 53.99 1daj s ARG 204 Cb -0.00 0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1daj s ARG 204 CO -0.06 -0.07 0.41 -0.51 -1.08 0.00 0.00 175.30 174.00 1daj s ASP 205 N -2.52 6.45 0.00 -2.89 1.01 -1.26 -4.79 116.67 112.67 1daj s ASP 205 Ca 0.01 0.53 0.20 0.00 0.71 0.00 0.00 52.55 54.00 1daj s ASP 205 Cb 0.02 -2.24 1.19 0.00 1.01 0.00 0.00 42.92 42.90 1daj s ASP 205 CO -0.07 -0.09 1.58 0.18 0.21 0.00 0.00 175.17 176.98