#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru s GLU 2 N 0.00 2.78 0.00 0.00 -1.05 -1.26 -5.09 118.70 114.08 1iru s GLU 2 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1iru s GLU 2 Cb 0.00 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1iru s GLU 2 CO 0.00 0.64 0.00 0.54 0.95 0.00 0.00 175.26 177.39 1iru n ARG 3 N 1.60 0.00 0.00 -4.83 3.00 -1.26 -5.16 116.66 110.00 1iru n ARG 3 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.68 1iru n ARG 3 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1iru n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iru n GLY 4 N 3.21 4.82 3.59 -0.13 0.00 -1.26 -5.09 105.19 110.34 1iru n GLY 4 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1iru n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iru s TYR 5 N -1.09 3.22 -2.18 1.61 4.12 -1.26 -4.94 117.35 116.83 1iru s TYR 5 Ca 0.00 0.46 0.26 0.00 0.02 0.00 0.00 57.07 57.81 1iru s TYR 5 Cb 0.00 -2.85 0.62 0.00 -1.52 0.00 0.00 41.96 38.22 1iru s TYR 5 CO 0.00 -0.41 1.49 0.43 0.02 0.00 0.00 175.55 177.08 1iru n SER 6 N 5.68 1.60 -4.88 2.29 7.64 -1.26 -1.37 113.62 123.32 1iru n SER 6 Ca -0.04 -1.32 -0.33 0.00 1.01 0.00 0.00 58.87 58.19 1iru n SER 6 Cb 0.49 0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.79 1iru n SER 6 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iru s PHE 7 N -2.29 3.50 0.36 1.43 -0.12 -1.26 -4.26 117.98 115.34 1iru s PHE 7 Ca 0.28 0.72 -0.26 0.00 -0.05 0.00 0.00 56.93 57.61 1iru s PHE 7 Cb 0.20 -2.12 -0.09 0.00 -0.63 0.00 0.00 43.02 40.37 1iru s PHE 7 CO 0.45 0.42 1.07 -1.54 -0.05 0.00 0.00 175.22 175.56 1iru s SER 8 N -2.20 6.91 0.00 1.98 1.04 -1.26 -1.06 113.70 119.11 1iru s SER 8 Ca 0.40 2.12 0.25 0.00 0.48 0.00 0.00 55.95 59.20 1iru s SER 8 Cb -0.12 -2.60 0.60 0.00 0.10 0.00 0.00 66.02 64.00 1iru s SER 8 CO 0.22 -0.39 1.49 0.18 0.98 0.00 0.00 173.24 175.72 1iru n LEU 9 N 0.33 2.34 -4.27 2.42 4.77 -1.26 -4.80 117.00 116.53 1iru n LEU 9 Ca 0.03 -0.84 -0.32 0.00 -0.03 0.00 0.00 56.01 54.85 1iru n LEU 9 Cb 0.48 -0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 1iru n LEU 9 CO 0.48 0.42 -0.52 -0.89 -1.33 0.00 0.00 177.39 175.54 1iru s THR 10 N -1.92 2.39 -0.13 -5.08 2.01 -1.26 -4.87 115.64 106.78 1iru s THR 10 Ca 0.33 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1iru s THR 10 Cb 0.20 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.81 1iru s THR 10 CO 0.31 0.55 0.42 0.42 -0.69 0.00 0.00 174.62 175.63 1iru s THR 11 N 0.31 0.01 0.29 -0.82 -4.23 -1.26 -4.89 115.64 105.05 1iru s THR 11 Ca -0.15 -0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 1iru s THR 11 Cb -0.17 -0.62 -0.12 0.00 1.34 0.00 0.00 72.50 72.93 1iru s THR 11 CO 0.08 -0.04 1.49 0.49 -0.54 0.00 0.00 174.62 176.09 1iru n PHE 12 N 2.49 2.60 -2.69 3.99 3.01 -1.26 -4.38 117.46 121.23 1iru n PHE 12 Ca -0.15 0.37 -0.22 0.00 1.01 0.00 0.00 57.45 58.45 1iru n PHE 12 Cb 0.57 -2.53 0.09 0.00 -0.01 0.00 0.00 39.48 37.60 1iru n PHE 12 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1iru s SER 13 N 0.26 4.62 0.46 4.37 1.04 -0.19 -4.93 113.70 119.32 1iru s SER 13 Ca 0.63 -0.42 0.21 0.00 0.48 0.00 0.00 55.95 56.85 1iru s SER 13 Cb -0.55 -0.06 1.14 0.00 0.10 0.00 0.00 66.02 66.65 1iru s SER 13 CO 0.52 -1.66 1.98 -0.65 0.98 0.00 0.00 173.24 174.41 1iru h PRO 14 N -0.31 0.00 0.00 4.02 0.11 -1.95 -0.31 132.00 133.56 1iru h PRO 14 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1iru h PRO 14 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1iru h PRO 14 CO 0.42 0.20 0.00 0.43 -0.21 0.00 0.00 178.00 178.84 1iru n SER 15 N -3.87 0.00 0.00 -2.05 7.64 -1.26 -4.80 113.62 109.27 1iru n SER 15 Ca -0.02 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1iru n SER 15 Cb 0.29 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1iru n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iru n GLY 16 N -0.25 0.78 3.87 0.23 0.00 -0.13 -5.04 105.19 104.66 1iru n GLY 16 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1iru n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iru s LYS 17 N -0.15 3.84 -0.99 1.61 0.00 -1.26 -4.71 119.74 118.07 1iru s LYS 17 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 55.97 56.50 1iru s LYS 17 Cb 0.00 -2.36 0.27 0.00 0.00 0.00 0.00 37.83 35.74 1iru s LYS 17 CO 0.00 -0.05 1.07 1.28 0.00 0.00 0.00 175.35 177.66 1iru n LEU 18 N -1.22 5.17 -0.13 2.77 4.77 -1.26 -1.02 117.00 126.08 1iru n LEU 18 Ca 0.03 -5.16 -0.03 0.00 -0.03 0.00 0.00 56.01 50.82 1iru n LEU 18 Cb 0.54 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1iru n LEU 18 CO 0.46 1.59 0.18 0.52 -1.33 0.00 0.00 177.39 178.81 1iru n VAL 19 N 1.99 -0.21 -0.02 4.08 0.31 -1.26 -0.09 118.33 123.13 1iru n VAL 19 Ca 0.24 0.84 0.19 0.00 -0.01 0.00 0.00 64.34 65.60 1iru n VAL 19 Cb 0.37 -1.05 0.65 0.00 -0.91 0.00 0.00 33.84 32.90 1iru n VAL 19 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1iru h GLN 20 N 0.00 0.08 -0.27 5.55 1.08 -1.89 -1.26 115.11 118.40 1iru h GLN 20 Ca 0.05 -0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 1iru h GLN 20 Cb 0.12 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1iru h GLN 20 CO -0.29 0.05 -0.50 0.82 -0.95 0.00 0.00 178.83 177.97 1iru h ILE 21 N 0.08 1.29 0.14 2.54 2.04 -0.92 -0.44 117.51 122.24 1iru h ILE 21 Ca 0.26 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1iru h ILE 21 Cb 0.94 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1iru h ILE 21 CO -0.02 0.54 -0.07 -0.33 0.00 0.00 0.00 178.15 178.27 1iru h GLU 22 N 0.56 -0.18 -0.47 2.37 4.39 -1.13 -1.39 114.58 118.73 1iru h GLU 22 Ca 0.01 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1iru h GLU 22 Cb 1.10 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1iru h GLU 22 CO 0.11 -0.03 0.32 1.88 -1.16 0.00 0.00 179.01 180.13 1iru h TYR 23 N -0.30 0.41 -0.15 4.33 0.99 -1.28 0.14 116.97 121.11 1iru h TYR 23 Ca -0.02 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1iru h TYR 23 Cb 0.24 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1iru h TYR 23 CO -0.03 0.22 0.03 0.00 -0.00 0.00 0.00 178.16 178.38 1iru h ALA 24 N 1.74 0.20 -0.50 3.88 0.00 -0.55 -2.22 119.26 121.82 1iru h ALA 24 Ca 0.21 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1iru h ALA 24 Cb 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1iru h ALA 24 CO -0.05 -0.16 0.33 -0.07 0.00 0.00 0.00 179.25 179.31 1iru h LEU 25 N 0.05 0.39 -1.28 0.00 3.38 0.01 0.17 115.31 118.02 1iru h LEU 25 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1iru h LEU 25 Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1iru h LEU 25 CO 0.00 0.26 0.03 0.00 0.09 0.00 0.00 178.44 178.81 1iru h ALA 26 N 1.73 1.42 -0.04 1.53 0.00 -0.48 0.31 119.26 123.72 1iru h ALA 26 Ca 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 26 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1iru h ALA 26 CO -0.06 0.41 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 1iru h ALA 27 N 1.54 1.22 0.47 0.00 0.00 -0.12 -2.67 119.26 119.69 1iru h ALA 27 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1iru h ALA 27 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iru h ALA 27 CO 0.01 0.56 -0.23 0.28 0.00 0.00 0.00 179.25 179.87 1iru h VAL 28 N 0.08 0.13 0.00 0.00 2.07 -0.43 -3.05 116.25 115.05 1iru h VAL 28 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1iru h VAL 28 Cb 0.79 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1iru h VAL 28 CO 0.06 0.03 0.37 0.00 0.02 0.00 0.00 177.57 178.05 1iru h ALA 29 N -1.03 1.32 -0.38 1.67 0.00 -0.46 0.67 119.26 121.05 1iru h ALA 29 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iru h ALA 29 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iru h ALA 29 CO 0.11 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1iru n GLY 30 N -1.27 1.74 3.97 0.00 0.00 -1.01 -3.15 105.19 105.47 1iru n GLY 30 Ca -0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 1iru n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iru s GLY 31 N -1.50 1.49 0.17 -0.02 0.00 0.23 -4.81 107.32 102.89 1iru s GLY 31 Ca 0.39 -1.27 -0.33 0.00 0.00 0.00 0.00 44.72 43.51 1iru s GLY 31 CO 0.32 -1.18 1.15 0.00 0.00 0.00 0.00 173.10 173.38 1iru n ALA 32 N -1.72 -0.91 -1.62 3.20 0.00 -1.26 -1.14 120.51 117.05 1iru n ALA 32 Ca -0.02 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 1iru n ALA 32 Cb 0.58 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 18.06 1iru n ALA 32 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iru s PRO 33 N -0.38 2.80 -0.00 0.00 0.04 -1.26 -4.59 135.00 131.60 1iru s PRO 33 Ca 0.73 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1iru s PRO 33 Cb -0.87 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.75 1iru s PRO 33 CO 0.52 -1.32 0.03 -1.12 0.04 0.00 0.00 177.00 175.16 1iru s SER 34 N -1.89 0.05 0.01 6.66 0.01 0.38 -2.36 113.70 116.57 1iru s SER 34 Ca 0.74 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.91 1iru s SER 34 Cb -0.28 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1iru s SER 34 CO 0.37 -0.15 -0.14 0.68 0.41 0.00 0.00 173.24 174.40 1iru s VAL 35 N -0.63 1.09 -0.02 3.43 -7.23 -0.24 -1.27 120.40 115.52 1iru s VAL 35 Ca -0.07 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1iru s VAL 35 Cb -0.04 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.96 1iru s VAL 35 CO -0.00 0.15 -0.03 -0.83 -0.31 0.00 0.00 175.10 174.09 1iru s GLY 36 N -0.73 0.27 -0.06 2.32 0.00 0.06 -2.19 107.32 106.99 1iru s GLY 36 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1iru s GLY 36 CO 0.00 0.29 -0.06 -0.42 0.00 0.00 0.00 173.10 172.91 1iru s ILE 37 N 0.58 0.70 -0.66 0.90 1.01 -0.72 -0.25 121.20 122.77 1iru s ILE 37 Ca -0.06 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 1iru s ILE 37 Cb -0.10 -0.73 0.12 0.00 0.01 0.00 0.00 42.46 41.76 1iru s ILE 37 CO -0.01 0.28 0.76 -0.75 0.00 0.00 0.00 174.94 175.23 1iru s LYS 38 N 1.19 3.17 0.00 2.79 2.20 0.28 -1.62 119.74 127.76 1iru s LYS 38 Ca -0.06 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 1iru s LYS 38 Cb -0.14 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.82 1iru s LYS 38 CO -0.02 -1.55 0.60 0.00 -0.36 0.00 0.00 175.35 174.02 1iru n ALA 39 N 6.13 2.49 -1.38 3.13 0.00 -0.54 -4.87 120.51 125.47 1iru n ALA 39 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1iru n ALA 39 Cb 0.44 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1iru n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru n ALA 40 N -0.10 -0.21 -1.59 0.00 0.00 -1.26 -4.45 120.51 112.89 1iru n ALA 40 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1iru n ALA 40 Cb 0.20 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 1iru n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1iru n ASN 41 N -0.73 -0.26 0.00 0.00 6.94 -1.26 -4.91 115.26 115.03 1iru n ASN 41 Ca -0.14 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.80 1iru n ASN 41 Cb 0.51 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1iru n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iru n GLY 42 N 0.00 4.75 3.61 4.83 0.00 -1.26 -4.55 105.19 112.57 1iru n GLY 42 Ca -0.07 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1iru n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 43 N -1.72 3.26 -0.01 1.61 1.01 0.85 -1.46 120.40 123.93 1iru s VAL 43 Ca 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.02 1iru s VAL 43 Cb 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1iru s VAL 43 CO 0.00 -0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 173.94 1iru s VAL 44 N -2.33 0.85 -0.02 2.92 1.01 -0.64 -0.37 120.40 121.83 1iru s VAL 44 Ca 0.31 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1iru s VAL 44 Cb -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1iru s VAL 44 CO 0.19 0.25 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1iru s LEU 45 N -0.13 2.00 -0.14 3.92 1.43 -0.05 -1.76 118.68 123.96 1iru s LEU 45 Ca 0.02 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 1iru s LEU 45 Cb -0.06 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.26 1iru s LEU 45 CO -0.00 0.20 0.52 0.00 0.23 0.00 0.00 176.35 177.30 1iru s ALA 46 N -0.27 -1.31 0.19 4.21 0.00 -0.93 -0.98 121.76 122.67 1iru s ALA 46 Ca 0.03 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 1iru s ALA 46 Cb -0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1iru s ALA 46 CO 0.00 -0.28 0.28 -0.08 0.00 0.00 0.00 175.76 175.68 1iru s THR 47 N -0.28 0.04 -0.56 0.00 -1.32 -1.07 -1.08 115.64 111.37 1iru s THR 47 Ca -0.05 -1.56 -0.23 0.00 -1.21 0.00 0.00 61.69 58.64 1iru s THR 47 Cb -0.03 -2.07 0.05 0.00 -1.51 0.00 0.00 72.50 68.93 1iru s THR 47 CO 0.03 -0.19 0.91 -0.70 -2.21 0.00 0.00 174.62 172.47 1iru s GLU 48 N -4.02 3.28 -0.31 7.08 2.12 -1.00 -3.14 118.70 122.71 1iru s GLU 48 Ca 0.23 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.10 1iru s GLU 48 Cb 0.03 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1iru s GLU 48 CO 0.05 -1.51 3.01 1.17 -0.54 0.00 0.00 175.26 177.43 1iru n LYS 49 N 7.37 2.26 -1.67 4.30 4.81 0.38 -4.80 118.16 130.81 1iru n LYS 49 Ca 0.00 -1.91 -0.43 0.00 -0.87 0.00 0.00 58.31 55.10 1iru n LYS 49 Cb 0.47 -2.08 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 1iru n LYS 49 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1iru s LYS 50 N -0.90 3.23 -0.12 1.64 -0.14 -1.25 -4.65 119.74 117.55 1iru s LYS 50 Ca 0.60 1.99 -0.03 0.00 -1.36 0.00 0.00 55.97 57.17 1iru s LYS 50 Cb 0.36 -4.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.14 1iru s LYS 50 CO -0.15 -1.99 0.01 1.14 -0.76 0.00 0.00 175.35 173.59 1iru s GLN 51 N 6.12 3.30 0.00 1.68 1.03 -1.26 -5.09 119.66 125.44 1iru s GLN 51 Ca 0.97 -0.41 0.00 0.00 0.04 0.00 0.00 55.36 55.96 1iru s GLN 51 Cb -0.32 -2.90 0.00 0.00 0.03 0.00 0.00 33.01 29.82 1iru s GLN 51 CO 0.35 0.54 0.00 1.63 -2.54 0.00 0.00 175.29 175.28 1iru n LYS 52 N 2.64 0.00 -0.62 9.60 4.76 -1.26 -4.85 118.16 128.43 1iru n LYS 52 Ca -0.18 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.00 1iru n LYS 52 Cb 0.53 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.88 1iru n LYS 52 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1iru n SER 53 N 0.00 -2.75 -0.14 4.39 3.41 -1.26 -4.87 113.62 112.40 1iru n SER 53 Ca 0.00 -0.26 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1iru n SER 53 Cb 0.00 -0.83 0.37 0.00 -0.26 0.00 0.00 64.21 63.49 1iru n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iru n ILE 54 N -4.39 0.00 0.20 -1.33 0.13 -1.26 -3.77 119.36 108.94 1iru n ILE 54 Ca 0.03 -0.07 0.05 0.00 -1.10 0.00 0.00 62.75 61.66 1iru n ILE 54 Cb 0.51 0.25 0.43 0.00 -0.84 0.00 0.00 39.64 39.99 1iru n ILE 54 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1iru h LEU 55 N 0.66 0.00 -9.73 9.51 3.38 -1.98 -3.43 115.31 113.72 1iru h LEU 55 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1iru h LEU 55 Cb 0.49 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.29 1iru h LEU 55 CO 0.00 0.32 0.82 -0.31 0.09 0.00 0.00 178.44 179.36 1iru s TYR 56 N -4.05 2.97 -0.92 1.13 1.51 -1.25 -4.93 117.35 111.81 1iru s TYR 56 Ca -0.02 0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 56.75 1iru s TYR 56 Cb 0.13 -3.90 0.18 0.00 -0.11 0.00 0.00 41.96 38.26 1iru s TYR 56 CO 0.69 -3.07 0.99 0.34 -1.11 0.00 0.00 175.55 173.39 1iru s ASP 57 N 0.58 6.76 0.50 2.29 -1.08 -1.26 -4.90 116.67 119.56 1iru s ASP 57 Ca 0.63 -2.48 0.43 0.00 -0.52 0.00 0.00 52.55 50.61 1iru s ASP 57 Cb -0.44 -2.31 1.58 0.00 -1.46 0.00 0.00 42.92 40.30 1iru s ASP 57 CO 0.41 -0.78 1.48 -0.62 0.52 0.00 0.00 175.17 176.18 1iru n GLU 58 N 5.13 -0.01 0.03 4.34 4.71 -1.26 -2.27 120.64 131.31 1iru n GLU 58 Ca 0.20 1.07 -0.01 0.00 -0.01 0.00 0.00 57.16 58.41 1iru n GLU 58 Cb 0.47 -2.36 -0.01 0.00 -1.01 0.00 0.00 31.44 28.53 1iru n GLU 58 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iru h ARG 59 N 0.00 -0.08 -0.35 3.49 3.08 -1.99 -3.33 114.38 115.20 1iru h ARG 59 Ca 0.88 0.01 0.10 0.00 0.07 0.00 0.00 59.98 61.03 1iru h ARG 59 Cb 3.34 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 33.40 1iru h ARG 59 CO -0.13 -0.05 0.46 -1.13 -1.07 0.00 0.00 179.97 178.05 1iru n SER 60 N -2.22 0.00 -3.89 7.04 3.41 -0.96 -4.37 113.62 112.63 1iru n SER 60 Ca -0.01 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 1iru n SER 60 Cb 0.03 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 1iru n SER 60 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iru s VAL 61 N -2.87 0.05 0.20 -3.33 1.01 -1.25 -5.17 120.40 109.04 1iru s VAL 61 Ca -0.01 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1iru s VAL 61 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 1iru s VAL 61 CO 0.16 -0.22 -0.16 -1.00 0.00 0.00 0.00 175.10 173.88 1iru s HIS 62 N -0.69 1.77 -0.01 5.22 0.09 -1.26 -4.96 115.29 115.45 1iru s HIS 62 Ca -0.08 -0.53 0.07 0.00 -0.00 0.00 0.00 55.06 54.53 1iru s HIS 62 Cb -0.05 -0.83 -0.11 0.00 -0.00 0.00 0.00 32.58 31.59 1iru s HIS 62 CO 0.00 0.38 0.15 1.63 -0.00 0.00 0.00 174.74 176.89 1iru n LYS 63 N -0.22 0.41 -3.44 1.40 5.02 -1.26 -4.84 118.16 115.23 1iru n LYS 63 Ca -0.09 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 1iru n LYS 63 Cb 0.59 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 1iru n LYS 63 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iru s VAL 64 N -2.47 4.91 0.01 -0.18 1.01 -1.25 -4.04 120.40 118.39 1iru s VAL 64 Ca -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1iru s VAL 64 Cb 0.04 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1iru s VAL 64 CO 0.29 -0.63 -0.08 -1.61 0.00 0.00 0.00 175.10 173.08 1iru s GLU 65 N 1.56 2.51 -0.06 2.72 0.41 -0.24 -4.90 118.70 120.70 1iru s GLU 65 Ca 0.04 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 53.63 1iru s GLU 65 Cb -0.25 -2.48 -0.04 0.00 -1.78 0.00 0.00 34.13 29.58 1iru s GLU 65 CO 0.04 0.60 0.67 -1.25 -0.49 0.00 0.00 175.26 174.83 1iru s PRO 66 N -1.43 4.42 -0.20 0.39 0.04 -1.26 -0.22 135.00 136.74 1iru s PRO 66 Ca 0.17 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1iru s PRO 66 Cb -0.11 -3.44 -0.12 0.00 0.04 0.00 0.00 34.50 30.87 1iru s PRO 66 CO 0.07 0.10 -0.05 -0.89 0.04 0.00 0.00 177.00 176.28 1iru n ILE 67 N 3.68 1.50 -4.12 0.56 2.08 -1.07 -4.97 119.36 117.02 1iru n ILE 67 Ca -0.02 -0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.23 1iru n ILE 67 Cb 0.51 -2.15 -0.01 0.00 -0.75 0.00 0.00 39.64 37.24 1iru n ILE 67 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1iru n THR 68 N -4.46 0.00 0.25 1.39 -2.24 -1.24 -4.68 114.28 103.30 1iru n THR 68 Ca -0.27 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1iru n THR 68 Cb 0.58 0.16 0.66 0.00 -2.10 0.00 0.00 70.33 69.63 1iru n THR 68 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1iru h LYS 69 N 0.00 0.00 0.00 -0.78 1.57 -1.96 -3.20 116.57 112.20 1iru h LYS 69 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1iru h LYS 69 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1iru h LYS 69 CO 0.12 0.15 0.00 -2.39 -0.57 0.00 0.00 179.45 176.76 1iru n HIS 70 N -3.64 0.00 -4.40 -1.35 1.44 -1.26 -2.05 115.22 103.96 1iru n HIS 70 Ca -0.02 -0.33 -0.24 0.00 -2.01 0.00 0.00 57.72 55.13 1iru n HIS 70 Cb 0.28 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.26 1iru n HIS 70 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1iru s ILE 71 N -0.65 2.81 0.14 0.61 -1.09 -1.21 -3.51 121.20 118.30 1iru s ILE 71 Ca 0.00 -2.20 -0.16 0.00 -2.23 0.00 0.00 60.65 56.06 1iru s ILE 71 Cb 0.00 -2.48 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 1iru s ILE 71 CO 0.00 -0.36 0.43 -0.83 -1.23 0.00 0.00 174.94 172.94 1iru s GLY 72 N -3.49 -0.23 0.07 6.18 0.00 -0.86 -2.59 107.32 106.41 1iru s GLY 72 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 1iru s GLY 72 CO 0.16 -0.30 0.05 1.08 0.00 0.00 0.00 173.10 174.10 1iru s LEU 73 N -2.82 2.05 0.14 0.66 1.43 0.69 -2.12 118.68 118.71 1iru s LEU 73 Ca 0.05 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 1iru s LEU 73 Cb 0.01 0.50 0.05 0.00 0.03 0.00 0.00 46.19 46.78 1iru s LEU 73 CO -0.10 -0.66 0.50 0.68 0.23 0.00 0.00 176.35 177.00 1iru s VAL 74 N -3.91 0.03 0.34 -1.59 -7.23 -1.15 -1.08 120.40 105.81 1iru s VAL 74 Ca 0.08 -0.28 0.06 0.00 -1.81 0.00 0.00 61.98 60.03 1iru s VAL 74 Cb 0.07 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1iru s VAL 74 CO -0.09 -0.15 0.33 0.00 -0.31 0.00 0.00 175.10 174.88 1iru n TYR 75 N -0.29 -0.95 -3.51 2.82 0.18 -1.26 -1.37 117.16 112.78 1iru n TYR 75 Ca -0.17 -2.72 -0.12 0.00 1.88 0.00 0.00 57.90 56.78 1iru n TYR 75 Cb 0.64 0.35 -0.11 0.00 -0.38 0.00 0.00 39.34 39.85 1iru n TYR 75 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1iru s SER 76 N -3.31 0.42 0.00 9.48 0.01 -0.84 -4.74 113.70 114.72 1iru s SER 76 Ca 0.38 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1iru s SER 76 Cb 0.01 0.90 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1iru s SER 76 CO 0.27 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1iru n GLY 77 N 5.36 0.46 3.62 3.44 0.00 -1.26 -2.63 105.19 114.18 1iru n GLY 77 Ca -0.05 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1iru n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iru s MET 78 N -1.60 3.91 0.15 1.61 -1.94 0.09 -4.81 119.30 116.72 1iru s MET 78 Ca 0.00 0.90 -0.19 0.00 -1.71 0.00 0.00 55.69 54.70 1iru s MET 78 Cb 0.00 -3.82 0.06 0.00 2.01 0.00 0.00 34.83 33.07 1iru s MET 78 CO 0.00 -1.12 1.67 0.78 -0.01 0.00 0.00 175.02 176.34 1iru h GLY 79 N 10.65 0.15 0.91 -0.03 0.00 -1.97 -2.60 103.07 110.17 1iru h GLY 79 Ca -0.22 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1iru h GLY 79 CO 1.07 -0.15 0.59 -2.55 0.00 0.00 0.00 176.54 175.50 1iru h PRO 80 N -0.07 1.04 -0.44 4.80 0.11 -1.98 -1.83 132.00 133.62 1iru h PRO 80 Ca 0.16 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1iru h PRO 80 Cb 0.31 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1iru h PRO 80 CO -0.36 0.69 0.20 -0.44 -0.21 0.00 0.00 178.00 177.87 1iru h ASP 81 N 1.07 0.59 -0.10 -2.05 5.19 -1.86 -2.93 116.42 116.32 1iru h ASP 81 Ca 0.38 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1iru h ASP 81 Cb 0.13 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.43 1iru h ASP 81 CO -0.13 0.56 -0.43 0.22 -3.12 0.00 0.00 179.24 176.34 1iru h TYR 82 N 0.57 -1.29 -0.98 4.55 3.20 -0.98 -1.59 116.97 120.46 1iru h TYR 82 Ca 0.15 0.05 0.33 0.00 3.14 0.00 0.00 58.73 62.39 1iru h TYR 82 Cb 0.14 0.57 -0.17 0.00 1.54 0.00 0.00 36.73 38.81 1iru h TYR 82 CO -0.01 -0.44 0.28 -0.09 -1.64 0.00 0.00 178.16 176.27 1iru h ARG 83 N -0.47 0.05 0.19 1.82 2.43 -1.34 0.59 114.38 117.65 1iru h ARG 83 Ca 0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1iru h ARG 83 Cb 0.54 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1iru h ARG 83 CO -0.34 0.03 -0.09 0.28 -1.51 0.00 0.00 179.97 178.34 1iru h VAL 84 N 0.05 0.81 0.00 0.20 2.07 -1.12 -2.33 116.25 115.93 1iru h VAL 84 Ca 0.70 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.20 1iru h VAL 84 Cb 1.63 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1iru h VAL 84 CO -0.81 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 176.64 1iru h LEU 85 N -0.26 0.00 -0.21 2.57 3.38 0.55 -1.97 115.31 119.37 1iru h LEU 85 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1iru h LEU 85 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1iru h LEU 85 CO 0.04 0.07 -0.71 0.58 0.09 0.00 0.00 178.44 178.52 1iru h VAL 86 N 0.00 1.28 -0.13 1.22 2.07 -0.54 -0.78 116.25 119.37 1iru h VAL 86 Ca -0.00 -1.90 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 1iru h VAL 86 Cb 0.23 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1iru h VAL 86 CO 0.01 0.61 -0.47 -0.74 0.02 0.00 0.00 177.57 177.00 1iru h HIS 87 N 0.57 0.39 0.01 1.57 -0.00 -0.89 -1.58 115.15 115.22 1iru h HIS 87 Ca -0.03 -0.12 -0.19 0.00 -0.00 0.00 0.00 60.37 60.02 1iru h HIS 87 Cb 1.33 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1iru h HIS 87 CO 0.08 0.73 -0.90 -0.09 -0.00 0.00 0.00 177.93 177.75 1iru h ARG 88 N 0.26 0.09 -0.07 5.26 9.65 -1.28 -1.92 114.38 126.37 1iru h ARG 88 Ca 0.02 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 1iru h ARG 88 Cb 0.93 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1iru h ARG 88 CO 0.08 0.93 -0.18 0.00 2.80 0.00 0.00 179.97 183.60 1iru h ALA 89 N 1.03 0.12 -0.99 2.80 0.00 -1.04 0.14 119.26 121.32 1iru h ALA 89 Ca -0.03 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1iru h ALA 89 Cb 1.56 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1iru h ALA 89 CO 0.13 0.05 0.65 0.00 0.00 0.00 0.00 179.25 180.07 1iru h ARG 90 N -0.24 1.18 -0.06 0.00 3.08 -1.32 0.40 114.38 117.42 1iru h ARG 90 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1iru h ARG 90 Cb 0.78 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1iru h ARG 90 CO 0.04 0.78 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.50 1iru h LYS 91 N 1.22 0.12 -0.41 0.04 3.64 -1.23 -2.48 116.57 117.46 1iru h LYS 91 Ca 0.41 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 1iru h LYS 91 Cb 0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1iru h LYS 91 CO -0.14 0.42 0.28 -0.07 -2.27 0.00 0.00 179.45 177.66 1iru h LEU 92 N -0.19 0.36 -1.12 5.20 3.38 0.09 -1.10 115.31 121.92 1iru h LEU 92 Ca 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1iru h LEU 92 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1iru h LEU 92 CO 0.00 0.25 -0.07 0.00 0.09 0.00 0.00 178.44 178.71 1iru h ALA 93 N 1.77 1.27 0.14 1.53 0.00 0.18 -2.86 119.26 121.29 1iru h ALA 93 Ca 0.17 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1iru h ALA 93 Cb 0.16 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1iru h ALA 93 CO -0.04 0.48 -1.11 1.96 0.00 0.00 0.00 179.25 180.55 1iru h GLN 94 N 0.50 0.51 -0.01 0.00 1.08 -0.80 -2.93 115.11 113.46 1iru h GLN 94 Ca 0.10 -0.73 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1iru h GLN 94 Cb 0.43 0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1iru h GLN 94 CO 0.02 1.33 0.01 1.96 -0.95 0.00 0.00 178.83 181.20 1iru h GLN 95 N 0.05 0.00 0.08 1.46 4.20 -1.30 -0.23 115.11 119.36 1iru h GLN 95 Ca -0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1iru h GLN 95 Cb 1.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.61 1iru h GLN 95 CO 0.21 0.00 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.41 1iru h TYR 96 N 0.00 -0.10 -0.95 2.96 3.20 -1.54 -3.25 116.97 117.30 1iru h TYR 96 Ca 0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1iru h TYR 96 Cb 0.02 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1iru h TYR 96 CO 0.00 0.42 0.62 -0.92 -1.64 0.00 0.00 178.16 176.63 1iru h TYR 97 N -0.92 1.11 -0.68 -3.82 3.20 -1.16 0.50 116.97 115.20 1iru h TYR 97 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1iru h TYR 97 Cb 0.56 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1iru h TYR 97 CO 0.13 0.58 0.27 -0.07 -1.64 0.00 0.00 178.16 177.43 1iru h LEU 98 N 1.09 0.93 -0.02 2.82 3.38 -1.20 0.42 115.31 122.74 1iru h LEU 98 Ca 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1iru h LEU 98 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1iru h LEU 98 CO -0.16 0.85 -0.08 0.58 0.09 0.00 0.00 178.44 179.72 1iru h VAL 99 N 0.96 1.50 0.00 1.22 2.07 -1.45 -3.38 116.25 117.17 1iru h VAL 99 Ca 0.23 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1iru h VAL 99 Cb 0.20 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1iru h VAL 99 CO -0.02 0.43 -1.47 -1.22 0.02 0.00 0.00 177.57 175.31 1iru n TYR 100 N -4.69 0.41 -1.06 1.57 4.02 0.12 -4.98 117.16 112.56 1iru n TYR 100 Ca -0.09 0.12 -0.02 0.00 -0.01 0.00 0.00 57.90 57.90 1iru n TYR 100 Cb 0.37 -0.66 -0.01 0.00 -0.02 0.00 0.00 39.34 39.02 1iru n TYR 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iru n GLN 101 N -2.37 -0.97 -4.65 -0.72 1.13 0.15 -4.98 117.38 104.97 1iru n GLN 101 Ca -0.02 0.37 -0.23 0.00 -1.94 0.00 0.00 57.00 55.19 1iru n GLN 101 Cb 0.54 -4.17 -0.15 0.00 0.11 0.00 0.00 30.24 26.56 1iru n GLN 101 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iru s GLU 102 N -1.38 1.27 0.46 -1.09 2.12 -1.26 -5.07 118.70 113.75 1iru s GLU 102 Ca 0.00 -0.50 -0.24 0.00 0.36 0.00 0.00 54.97 54.59 1iru s GLU 102 Cb 0.00 -1.19 -0.09 0.00 0.26 0.00 0.00 34.13 33.12 1iru s GLU 102 CO 0.00 0.26 1.22 -2.30 -0.54 0.00 0.00 175.26 173.90 1iru n PRO 103 N 2.94 1.72 -2.03 4.30 -0.02 -1.26 -4.33 135.00 136.33 1iru n PRO 103 Ca -0.16 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1iru n PRO 103 Cb 0.54 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1iru n PRO 103 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1iru s ILE 104 N -1.25 3.10 0.14 4.25 2.07 -1.26 -4.93 121.20 123.32 1iru s ILE 104 Ca 0.64 0.66 -0.32 0.00 -1.41 0.00 0.00 60.65 60.22 1iru s ILE 104 Cb -0.49 -3.43 -0.12 0.00 0.13 0.00 0.00 42.46 38.55 1iru s ILE 104 CO 0.56 0.02 1.73 -2.65 -1.91 0.00 0.00 174.94 172.69 1iru n PRO 105 N 4.85 2.55 -0.29 3.50 -0.02 -1.26 -4.78 135.00 139.56 1iru n PRO 105 Ca 0.14 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.63 1iru n PRO 105 Cb 0.41 -2.76 0.21 0.00 -0.02 0.00 0.00 33.50 31.34 1iru n PRO 105 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1iru h THR 106 N 4.17 0.26 -0.87 3.45 2.02 -1.92 0.44 112.91 120.45 1iru h THR 106 Ca -0.45 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1iru h THR 106 Cb 1.23 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1iru h THR 106 CO 0.93 0.02 0.56 0.00 0.37 0.00 0.00 175.52 177.40 1iru h ALA 107 N 1.79 1.16 -0.57 6.16 0.00 -1.99 -1.27 119.26 124.54 1iru h ALA 107 Ca 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 1iru h ALA 107 Cb 0.91 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1iru h ALA 107 CO -0.73 0.38 0.14 1.96 0.00 0.00 0.00 179.25 181.00 1iru h GLN 108 N 1.07 0.91 -0.62 0.00 1.08 -0.52 -1.15 115.11 115.89 1iru h GLN 108 Ca 0.36 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1iru h GLN 108 Cb 0.05 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1iru h GLN 108 CO -0.13 0.85 0.24 1.25 -0.95 0.00 0.00 178.83 180.08 1iru h LEU 109 N 0.82 0.83 0.11 1.46 5.85 -0.65 -1.87 115.31 121.86 1iru h LEU 109 Ca 0.18 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1iru h LEU 109 Cb 0.35 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1iru h LEU 109 CO 0.00 0.75 -0.05 0.58 -0.34 0.00 0.00 178.44 179.38 1iru h VAL 110 N 0.89 1.00 -0.62 1.05 2.07 -0.87 -1.83 116.25 117.92 1iru h VAL 110 Ca 0.21 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1iru h VAL 110 Cb 0.19 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1iru h VAL 110 CO -0.02 0.10 0.09 1.56 0.02 0.00 0.00 177.57 179.32 1iru h GLN 111 N -0.33 0.21 -0.11 1.57 4.20 -0.87 0.19 115.11 119.96 1iru h GLN 111 Ca -0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1iru h GLN 111 Cb 0.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1iru h GLN 111 CO 0.02 0.14 0.06 0.00 -0.67 0.00 0.00 178.83 178.38 1iru h ARG 112 N 0.21 0.16 -0.17 1.46 3.08 -1.20 -1.48 114.38 116.44 1iru h ARG 112 Ca 0.33 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.24 1iru h ARG 112 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1iru h ARG 112 CO -0.46 0.17 -0.41 0.28 -1.07 0.00 0.00 179.97 178.49 1iru h VAL 113 N 0.10 1.31 -0.69 2.04 2.07 -0.77 -2.63 116.25 117.68 1iru h VAL 113 Ca 0.04 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1iru h VAL 113 Cb 0.06 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1iru h VAL 113 CO -0.01 0.48 0.33 0.00 0.02 0.00 0.00 177.57 178.39 1iru h ALA 114 N 1.23 1.30 -0.55 1.67 0.00 -0.44 -1.23 119.26 121.25 1iru h ALA 114 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iru h ALA 114 Cb 0.87 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1iru h ALA 114 CO 0.07 0.55 0.26 0.77 0.00 0.00 0.00 179.25 180.90 1iru h SER 115 N 0.97 0.69 0.31 0.00 0.02 -0.90 -0.18 113.55 114.46 1iru h SER 115 Ca 0.24 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1iru h SER 115 Cb 0.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1iru h SER 115 CO -0.03 0.59 -0.15 0.58 -1.14 0.00 0.00 176.83 176.68 1iru h VAL 116 N 0.77 0.70 -0.81 2.27 2.07 -1.07 -1.08 116.25 119.10 1iru h VAL 116 Ca 0.19 -0.51 0.17 0.00 0.82 0.00 0.00 66.70 67.37 1iru h VAL 116 Cb 0.09 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1iru h VAL 116 CO -0.03 0.10 0.54 0.24 0.02 0.00 0.00 177.57 178.45 1iru h MET 117 N -0.71 0.36 -0.16 1.57 2.86 -0.94 0.32 114.93 118.22 1iru h MET 117 Ca -0.04 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 1iru h MET 117 Cb 0.49 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1iru h MET 117 CO 0.07 0.24 -0.56 0.37 1.06 0.00 0.00 176.91 178.09 1iru h GLN 118 N 0.38 0.49 -0.98 1.72 -0.00 -0.78 -3.03 115.11 112.91 1iru h GLN 118 Ca 0.40 -0.32 0.10 0.00 -0.00 0.00 0.00 58.65 58.83 1iru h GLN 118 Cb 1.01 0.04 -0.08 0.00 0.00 0.00 0.00 27.48 28.45 1iru h GLN 118 CO -0.13 0.92 0.62 1.49 0.00 0.00 0.00 178.83 181.73 1iru h GLU 119 N 0.38 1.01 -0.99 1.69 4.81 0.95 -1.22 114.58 121.21 1iru h GLU 119 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1iru h GLU 119 Cb 1.09 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1iru h GLU 119 CO 0.10 0.67 0.00 0.66 -0.73 0.00 0.00 179.01 179.71 1iru n TYR 120 N -4.59 0.00 -0.24 0.92 4.02 -1.00 -1.44 117.16 114.84 1iru n TYR 120 Ca 0.17 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1iru n TYR 120 Cb 0.28 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1iru n TYR 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1iru n THR 121 N 0.10 0.17 0.00 -0.72 -2.24 -0.46 -2.60 114.28 108.52 1iru n THR 121 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1iru n THR 121 Cb 0.29 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1iru n THR 121 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 122 N -0.08 0.30 -1.30 -0.78 7.27 -1.00 -4.55 117.38 117.23 1iru n GLN 122 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1iru n GLN 122 Cb 0.11 -0.58 0.11 0.00 2.41 0.00 0.00 30.24 32.29 1iru n GLN 122 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1iru s SER 123 N -2.33 3.87 0.63 1.69 0.01 -0.52 -4.39 113.70 112.67 1iru s SER 123 Ca 0.00 2.45 -0.14 0.00 1.31 0.00 0.00 55.95 59.57 1iru s SER 123 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1iru s SER 123 CO 0.00 -2.48 1.06 -0.83 0.41 0.00 0.00 173.24 171.40 1iru s GLY 124 N -1.92 1.99 0.00 3.44 0.00 -1.26 -4.00 107.32 105.57 1iru s GLY 124 Ca 0.76 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1iru s GLY 124 CO 0.47 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.83 1iru n GLY 125 N -1.19 0.30 3.44 0.20 0.00 -0.22 -4.81 105.19 102.91 1iru n GLY 125 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1iru n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iru s VAL 126 N -1.85 1.82 0.18 1.61 -7.23 -1.26 -4.93 120.40 108.74 1iru s VAL 126 Ca 0.00 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.08 1iru s VAL 126 Cb 0.00 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1iru s VAL 126 CO 0.00 -0.33 -0.04 0.00 -0.31 0.00 0.00 175.10 174.42 1iru s ARG 127 N -3.68 2.25 0.85 4.82 1.70 -1.26 -4.06 118.95 119.57 1iru s ARG 127 Ca 0.29 -1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 1iru s ARG 127 Cb 0.02 -2.26 0.11 0.00 -0.57 0.00 0.00 34.95 32.24 1iru s ARG 127 CO 0.12 0.44 1.13 -2.14 -1.08 0.00 0.00 175.30 173.78 1iru s PRO 128 N -2.90 1.55 0.13 3.89 0.02 -1.07 -4.85 135.00 131.77 1iru s PRO 128 Ca 0.26 1.42 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 1iru s PRO 128 Cb -0.09 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1iru s PRO 128 CO 0.17 -2.21 1.34 -0.06 -0.33 0.00 0.00 177.00 175.90 1iru s PHE 129 N -2.70 3.28 -1.37 6.54 0.40 -1.26 -4.90 117.98 117.97 1iru s PHE 129 Ca 0.65 1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1iru s PHE 129 Cb -0.21 -3.62 0.09 0.00 0.51 0.00 0.00 43.02 39.79 1iru s PHE 129 CO 0.56 -2.07 2.41 0.41 0.70 0.00 0.00 175.22 177.23 1iru n GLY 130 N 3.14 5.00 3.41 4.36 0.00 -1.26 -4.42 105.19 115.42 1iru n GLY 130 Ca 0.10 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1iru n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 131 N -0.37 0.04 -0.01 1.61 0.11 -1.26 -0.73 120.40 119.78 1iru s VAL 131 Ca 0.55 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1iru s VAL 131 Cb 0.17 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1iru s VAL 131 CO -0.08 -0.17 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.03 1iru s SER 132 N -2.81 0.75 0.23 3.54 0.01 -1.08 -3.07 113.70 111.27 1iru s SER 132 Ca 0.04 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.29 1iru s SER 132 Cb 0.00 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1iru s SER 132 CO -0.10 0.04 -0.10 -0.76 0.41 0.00 0.00 173.24 172.73 1iru s LEU 133 N 0.14 2.91 -0.26 2.44 1.43 -0.38 -1.99 118.68 122.96 1iru s LEU 133 Ca -0.01 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1iru s LEU 133 Cb -0.06 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.73 1iru s LEU 133 CO -0.00 0.06 0.01 -0.76 0.23 0.00 0.00 176.35 175.89 1iru s LEU 134 N -3.20 2.59 -0.14 1.79 1.43 -0.47 -2.47 118.68 118.22 1iru s LEU 134 Ca 0.27 -1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 1iru s LEU 134 Cb -0.07 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1iru s LEU 134 CO 0.16 -0.31 0.19 -0.63 0.23 0.00 0.00 176.35 175.99 1iru s ILE 135 N 1.45 5.40 -0.02 -0.59 1.09 0.18 -2.94 121.20 125.77 1iru s ILE 135 Ca 0.01 0.32 0.04 0.00 -1.10 0.00 0.00 60.65 59.92 1iru s ILE 135 Cb -0.18 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 37.72 1iru s ILE 135 CO -0.11 0.53 -0.14 0.00 -0.10 0.00 0.00 174.94 175.12 1iru s GLY 137 N -0.19 -0.46 -0.60 0.00 0.00 -0.56 -2.03 107.32 103.49 1iru s GLY 137 Ca 0.03 0.25 0.03 0.00 0.00 0.00 0.00 44.72 45.02 1iru s GLY 137 CO 0.00 0.05 0.37 -0.98 0.00 0.00 0.00 173.10 172.54 1iru s TRP 138 N -3.80 3.34 -0.32 1.90 0.51 -1.23 0.86 118.94 120.21 1iru s TRP 138 Ca 0.04 -3.16 -0.01 0.00 -2.12 0.00 0.00 56.10 50.84 1iru s TRP 138 Cb -0.02 -2.86 0.06 0.00 -0.81 0.00 0.00 33.47 29.85 1iru s TRP 138 CO -0.08 -0.70 0.03 -0.80 -0.51 0.00 0.00 176.95 174.88 1iru s ASN 139 N -0.49 4.92 -0.55 2.95 0.01 -1.18 -4.74 114.94 115.85 1iru s ASN 139 Ca 0.20 -1.43 -0.02 0.00 -0.71 0.00 0.00 52.86 50.90 1iru s ASN 139 Cb -0.19 -1.72 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 1iru s ASN 139 CO -0.05 -0.30 0.47 -1.84 -1.51 0.00 0.00 177.10 173.87 1iru n GLU 140 N 4.59 -2.06 0.00 -0.60 0.00 -1.26 -4.21 120.64 117.10 1iru n GLU 140 Ca -0.11 0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1iru n GLU 140 Cb 0.43 -3.88 0.00 0.00 0.00 0.00 0.00 31.44 27.99 1iru n GLU 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iru n GLY 141 N -1.23 1.80 3.77 -1.84 0.00 -1.26 -4.95 105.19 101.47 1iru n GLY 141 Ca -0.08 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1iru n GLY 141 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iru s ARG 142 N 0.00 4.45 0.33 1.61 3.03 -1.26 -4.87 118.95 122.24 1iru s ARG 142 Ca 0.00 2.03 -0.14 0.00 2.03 0.00 0.00 55.73 59.65 1iru s ARG 142 Cb 0.00 -3.09 -0.08 0.00 -1.03 0.00 0.00 34.95 30.74 1iru s ARG 142 CO 0.00 -0.03 0.73 -2.14 -1.13 0.00 0.00 175.30 172.73 1iru s PRO 143 N -1.68 3.94 0.07 3.89 0.02 -1.26 -3.13 135.00 136.84 1iru s PRO 143 Ca 0.48 0.60 0.05 0.00 0.02 0.00 0.00 61.00 62.15 1iru s PRO 143 Cb -0.36 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 31.70 1iru s PRO 143 CO 0.47 0.12 -0.15 0.71 -0.33 0.00 0.00 177.00 177.83 1iru s TYR 144 N -2.06 1.25 -0.06 6.54 1.51 0.25 -4.97 117.35 119.81 1iru s TYR 144 Ca 0.53 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1iru s TYR 144 Cb -0.10 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1iru s TYR 144 CO 0.21 0.07 0.12 -1.17 -1.11 0.00 0.00 175.55 173.67 1iru s LEU 145 N -1.76 0.37 0.15 -1.29 2.96 -1.26 -1.50 118.68 116.35 1iru s LEU 145 Ca -0.01 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1iru s LEU 145 Cb -0.10 0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 1iru s LEU 145 CO 0.02 -0.20 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.45 1iru s PHE 146 N 1.74 1.15 -0.04 5.38 0.40 0.61 -1.22 117.98 125.99 1iru s PHE 146 Ca -0.02 -0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1iru s PHE 146 Cb -0.12 -0.64 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1iru s PHE 146 CO -0.05 -0.10 0.09 -1.14 0.70 0.00 0.00 175.22 174.72 1iru s GLN 147 N -3.84 0.03 -0.02 0.44 0.74 0.22 -0.64 119.66 116.59 1iru s GLN 147 Ca 0.18 0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.91 1iru s GLN 147 Cb 0.05 -0.20 -0.01 0.00 1.10 0.00 0.00 33.01 33.95 1iru s GLN 147 CO 0.00 -0.16 -0.15 -1.54 -0.55 0.00 0.00 175.29 172.90 1iru s SER 148 N 1.06 1.83 0.53 6.67 1.04 -1.03 -0.31 113.70 123.49 1iru s SER 148 Ca -0.08 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1iru s SER 148 Cb -0.11 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.68 1iru s SER 148 CO -0.04 0.16 0.10 1.51 0.98 0.00 0.00 173.24 175.95 1iru s ASP 149 N -0.18 4.27 0.28 7.02 1.47 -0.79 -1.25 116.67 127.49 1iru s ASP 149 Ca 0.02 -1.58 0.04 0.00 1.18 0.00 0.00 52.55 52.21 1iru s ASP 149 Cb -0.08 0.57 0.72 0.00 -0.34 0.00 0.00 42.92 43.80 1iru s ASP 149 CO 0.00 -0.95 1.36 -2.65 0.68 0.00 0.00 175.17 173.61 1iru n PRO 150 N -1.41 -0.07 0.30 2.11 -0.02 -1.17 0.18 135.00 134.92 1iru n PRO 150 Ca -0.16 1.29 0.19 0.00 -2.02 0.00 0.00 63.50 62.80 1iru n PRO 150 Cb 0.66 -2.08 1.02 0.00 -0.02 0.00 0.00 33.50 33.09 1iru n PRO 150 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1iru h SER 151 N 0.00 0.00 0.00 2.55 4.64 -1.89 -3.40 113.55 115.45 1iru h SER 151 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1iru h SER 151 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1iru h SER 151 CO -0.80 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.77 1iru n GLY 152 N -1.22 0.83 3.86 -0.77 0.00 0.13 -4.29 105.19 103.74 1iru n GLY 152 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1iru n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iru s ALA 153 N -2.09 3.69 0.15 4.61 0.00 -1.25 -4.55 121.76 122.32 1iru s ALA 153 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1iru s ALA 153 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1iru s ALA 153 CO 0.00 0.54 -0.10 1.52 0.00 0.00 0.00 175.76 177.73 1iru s TYR 154 N -1.42 1.27 0.06 0.00 -0.85 -1.26 -1.88 117.35 113.26 1iru s TYR 154 Ca 0.34 -0.77 -0.09 0.00 -0.52 0.00 0.00 57.07 56.03 1iru s TYR 154 Cb -0.14 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.55 1iru s TYR 154 CO 0.18 0.07 0.20 -0.06 -1.52 0.00 0.00 175.55 174.42 1iru s PHE 155 N -3.34 0.08 -0.20 -3.49 0.40 0.58 -4.96 117.98 107.05 1iru s PHE 155 Ca 0.17 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 1iru s PHE 155 Cb 0.03 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.48 1iru s PHE 155 CO 0.01 -0.48 0.09 0.00 0.70 0.00 0.00 175.22 175.54 1iru s ALA 156 N -3.07 3.49 0.14 5.36 0.00 -1.26 -0.61 121.76 125.80 1iru s ALA 156 Ca -0.01 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1iru s ALA 156 Cb 0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1iru s ALA 156 CO -0.07 0.07 -0.18 -1.58 0.00 0.00 0.00 175.76 174.01 1iru s TRP 157 N 0.56 2.51 -0.27 0.00 0.52 -0.36 -4.98 118.94 116.91 1iru s TRP 157 Ca 0.05 -0.27 0.20 0.00 0.02 0.00 0.00 56.10 56.10 1iru s TRP 157 Cb -0.12 -1.31 0.12 0.00 -1.15 0.00 0.00 33.47 31.01 1iru s TRP 157 CO 0.01 0.42 1.32 0.87 0.02 0.00 0.00 176.95 179.58 1iru h LYS 158 N 3.55 0.00 0.00 4.98 1.57 -1.91 -3.39 116.57 121.36 1iru h LYS 158 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1iru h LYS 158 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1iru h LYS 158 CO 0.47 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1iru n ALA 159 N -2.19 0.00 -3.49 3.86 0.00 -1.25 0.10 120.51 117.53 1iru n ALA 159 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1iru n ALA 159 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1iru n ALA 159 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1iru n THR 160 N -0.28 0.00 -3.76 0.00 5.66 0.65 -4.97 114.28 111.59 1iru n THR 160 Ca 0.00 -0.15 -0.11 0.00 -3.05 0.00 0.00 64.05 60.74 1iru n THR 160 Cb 0.00 0.33 -0.07 0.00 -1.55 0.00 0.00 70.33 69.04 1iru n THR 160 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iru s ALA 161 N -1.52 -0.63 0.04 1.79 0.00 -1.25 -0.76 121.76 119.42 1iru s ALA 161 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 1iru s ALA 161 Cb -0.01 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1iru s ALA 161 CO 0.01 -0.45 0.23 -1.64 0.00 0.00 0.00 175.76 173.91 1iru s MET 162 N -2.85 0.72 0.00 0.00 1.00 -0.40 -4.85 119.30 112.92 1iru s MET 162 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 55.69 55.10 1iru s MET 162 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 34.83 35.13 1iru s MET 162 CO -0.05 -0.21 0.00 0.41 0.00 0.00 0.00 175.02 175.17 1iru n GLY 163 N 0.71 -0.54 3.76 -0.03 0.00 -1.26 -0.47 105.19 107.36 1iru n GLY 163 Ca -0.19 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1iru n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s LYS 164 N 0.00 4.28 -1.75 1.61 1.02 -0.29 -2.44 119.74 122.17 1iru s LYS 164 Ca 0.00 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.30 1iru s LYS 164 Cb 0.00 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1iru s LYS 164 CO 0.00 -0.33 0.00 0.09 -0.92 0.00 0.00 175.35 174.19 1iru n ASN 165 N 1.27 -5.29 0.25 2.83 3.02 -1.26 -4.57 115.26 111.51 1iru n ASN 165 Ca 0.02 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1iru n ASN 165 Cb 0.41 -4.51 0.63 0.00 -0.61 0.00 0.00 39.78 35.70 1iru n ASN 165 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1iru h TYR 166 N 0.00 0.00 -0.20 3.10 -0.00 -1.78 1.05 116.97 119.14 1iru h TYR 166 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.25 1iru h TYR 166 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.02 1iru h TYR 166 CO 0.57 0.16 -0.08 -0.39 -0.00 0.00 0.00 178.16 178.42 1iru h VAL 167 N 0.00 1.30 0.02 -0.90 -1.51 -1.87 -0.99 116.25 112.31 1iru h VAL 167 Ca -0.00 -1.12 -0.27 0.00 -1.23 0.00 0.00 66.70 64.08 1iru h VAL 167 Cb 0.49 1.63 0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1iru h VAL 167 CO 0.02 0.34 -1.06 0.78 -1.23 0.00 0.00 177.57 176.41 1iru h ASN 168 N 0.10 0.83 0.16 4.19 2.35 -1.77 -2.85 115.58 118.60 1iru h ASN 168 Ca 0.05 -0.68 -0.02 0.00 -0.55 0.00 0.00 56.30 55.09 1iru h ASN 168 Cb 0.56 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1iru h ASN 168 CO 0.03 1.49 -0.09 1.23 -1.65 0.00 0.00 177.43 178.44 1iru h GLY 169 N 0.57 0.00 0.09 2.83 0.00 0.11 -0.38 103.07 106.29 1iru h GLY 169 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1iru h GLY 169 CO 0.20 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.40 1iru h LYS 170 N 0.00 -0.11 -0.89 4.80 3.64 -1.15 -3.07 116.57 119.78 1iru h LYS 170 Ca -0.00 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1iru h LYS 170 Cb 0.19 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.91 1iru h LYS 170 CO 0.01 -0.08 0.37 1.79 -2.27 0.00 0.00 179.45 179.28 1iru h THR 171 N -0.96 0.44 -0.12 1.00 1.35 -1.41 1.29 112.91 114.51 1iru h THR 171 Ca -0.01 -0.12 0.04 0.00 -0.55 0.00 0.00 66.41 65.77 1iru h THR 171 Cb 0.09 0.05 -0.05 0.00 -1.73 0.00 0.00 68.15 66.51 1iru h THR 171 CO 0.02 0.07 -0.21 0.15 -0.25 0.00 0.00 175.52 175.30 1iru h PHE 172 N 0.36 -0.54 0.00 4.73 3.57 -1.17 0.34 116.94 124.23 1iru h PHE 172 Ca 0.56 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 62.01 1iru h PHE 172 Cb 1.09 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1iru h PHE 172 CO -0.15 -0.29 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.21 1iru h LEU 173 N -0.27 0.00 0.00 0.59 3.38 -0.45 1.30 115.31 119.86 1iru h LEU 173 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iru h LEU 173 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iru h LEU 173 CO -0.27 0.37 0.12 1.21 0.09 0.00 0.00 178.44 179.95 1iru n GLU 174 N -3.71 0.00 0.00 1.13 2.13 0.41 -3.51 120.64 117.09 1iru n GLU 174 Ca -0.01 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1iru n GLU 174 Cb 0.46 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1iru n GLU 174 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iru n LYS 175 N -1.22 0.00 0.00 5.31 5.02 -0.97 -4.92 118.16 121.38 1iru n LYS 175 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iru n LYS 175 Cb 0.12 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1iru n LYS 175 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1iru n ARG 176 N -1.90 0.00 0.00 1.97 1.85 0.44 -4.63 116.66 114.39 1iru n ARG 176 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1iru n ARG 176 Cb 0.00 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1iru n ARG 176 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1iru n TYR 177 N -0.09 0.00 -3.91 2.89 -0.00 -1.25 -4.92 117.16 109.88 1iru n TYR 177 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1iru n TYR 177 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 1iru n TYR 177 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1iru s ASN 178 N 0.00 0.15 0.91 9.48 3.84 -1.26 -4.79 114.94 123.26 1iru s ASN 178 Ca 0.00 -1.10 -0.10 0.00 0.21 0.00 0.00 52.86 51.87 1iru s ASN 178 Cb 0.00 0.75 0.16 0.00 -0.55 0.00 0.00 41.25 41.61 1iru s ASN 178 CO 0.00 -1.46 0.36 -0.62 -2.79 0.00 0.00 177.10 172.59 1iru n GLU 179 N -0.50 -1.24 -0.09 0.43 1.02 -1.26 -3.47 120.64 115.52 1iru n GLU 179 Ca -0.04 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 1iru n GLU 179 Cb 0.60 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1iru n GLU 179 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iru n ASP 180 N -1.52 0.00 -4.70 1.62 8.00 -1.26 -4.91 116.55 113.77 1iru n ASP 180 Ca 0.06 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.12 1iru n ASP 180 Cb 0.25 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 1iru n ASP 180 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1iru n LEU 181 N 0.00 3.66 0.00 0.64 4.77 -1.23 -4.97 117.00 119.87 1iru n LEU 181 Ca 0.00 1.07 -0.04 0.00 -0.03 0.00 0.00 56.01 57.00 1iru n LEU 181 Cb 0.00 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 39.60 1iru n LEU 181 CO 0.00 0.00 0.13 1.21 -1.33 0.00 0.00 177.39 177.40 1iru n GLU 182 N 3.81 -0.36 0.00 3.23 2.13 -1.26 -4.57 120.64 123.62 1iru n GLU 182 Ca 0.16 -0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1iru n GLU 182 Cb 0.33 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 31.83 1iru n GLU 182 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1iru n LEU 183 N 0.00 0.00 0.02 4.31 -0.00 -1.26 -2.00 117.00 118.07 1iru n LEU 183 Ca 0.02 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.20 1iru n LEU 183 Cb 0.09 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 43.79 1iru n LEU 183 CO 0.06 0.00 1.15 -0.33 -0.00 0.00 0.00 177.39 178.27 1iru h GLU 184 N 0.00 0.00 0.31 1.47 3.07 -1.99 0.15 114.58 117.59 1iru h GLU 184 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1iru h GLU 184 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1iru h GLU 184 CO 0.00 0.00 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.02 1iru h ASP 185 N 0.00 -0.35 -0.20 1.42 3.32 -1.91 -2.70 116.42 116.00 1iru h ASP 185 Ca 0.28 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1iru h ASP 185 Cb 2.46 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 42.09 1iru h ASP 185 CO -0.00 0.07 0.14 0.00 -1.72 0.00 0.00 179.24 177.73 1iru h ALA 186 N -0.40 2.06 -0.58 3.45 0.00 -0.06 -1.57 119.26 122.15 1iru h ALA 186 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1iru h ALA 186 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1iru h ALA 186 CO 0.07 -0.10 -0.04 0.82 0.00 0.00 0.00 179.25 180.00 1iru h ILE 187 N 0.10 1.27 0.19 0.00 2.04 -1.46 -2.23 117.51 117.41 1iru h ILE 187 Ca 0.09 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1iru h ILE 187 Cb 0.23 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1iru h ILE 187 CO -0.01 0.43 -0.09 -0.74 0.00 0.00 0.00 178.15 177.74 1iru h HIS 188 N 0.94 -0.23 0.00 1.37 2.76 -0.97 -1.89 115.15 117.14 1iru h HIS 188 Ca 0.16 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1iru h HIS 188 Cb 0.60 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1iru h HIS 188 CO 0.04 0.13 0.00 -2.37 -1.30 0.00 0.00 177.93 174.43 1iru n THR 189 N -5.03 1.75 -0.09 6.26 5.66 -0.88 -1.12 114.28 120.83 1iru n THR 189 Ca -0.09 0.49 -0.22 0.00 -3.05 0.00 0.00 64.05 61.18 1iru n THR 189 Cb 0.24 -1.46 -0.12 0.00 -1.55 0.00 0.00 70.33 67.45 1iru n THR 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iru n ALA 190 N -1.53 0.83 0.27 1.79 0.00 -0.84 -2.71 120.51 118.31 1iru n ALA 190 Ca 0.00 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.05 1iru n ALA 190 Cb 0.03 -0.54 0.74 0.00 0.00 0.00 0.00 19.45 19.68 1iru n ALA 190 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1iru h ILE 191 N -0.82 0.34 0.06 0.00 2.04 -0.74 -1.98 117.51 116.41 1iru h ILE 191 Ca -0.39 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1iru h ILE 191 Cb 1.45 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1iru h ILE 191 CO -0.17 0.09 -0.03 -0.07 0.00 0.00 0.00 178.15 177.97 1iru h LEU 192 N 0.00 -0.07 -2.30 1.44 3.38 -1.26 -2.59 115.31 113.92 1iru h LEU 192 Ca -0.00 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.43 1iru h LEU 192 Cb 0.41 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iru h LEU 192 CO 0.01 0.64 0.22 0.00 0.09 0.00 0.00 178.44 179.40 1iru h THR 193 N -0.88 0.26 0.11 0.22 1.03 -1.29 -0.28 112.91 112.08 1iru h THR 193 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1iru h THR 193 Cb 0.63 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 1iru h THR 193 CO 0.01 0.00 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.40 1iru h LEU 194 N 0.00 -0.12 -2.57 0.00 3.38 -1.31 -3.15 115.31 111.54 1iru h LEU 194 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1iru h LEU 194 Cb 0.49 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1iru h LEU 194 CO -0.00 0.45 0.14 0.07 0.09 0.00 0.00 178.44 179.19 1iru h LYS 195 N -0.78 0.00 -0.05 1.13 -0.00 -0.66 -1.92 116.57 114.28 1iru h LYS 195 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1iru h LYS 195 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.79 1iru h LYS 195 CO 0.02 0.00 0.00 -1.91 -0.00 0.00 0.00 179.45 177.56 1iru n GLU 196 N -2.99 0.21 0.00 0.07 4.07 -0.83 -2.85 120.64 118.31 1iru n GLU 196 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1iru n GLU 196 Cb 0.20 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 1iru n GLU 196 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1iru n SER 197 N -0.26 0.00 -4.52 4.31 3.41 -0.93 -4.93 113.62 110.70 1iru n SER 197 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1iru n SER 197 Cb 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 1iru n SER 197 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1iru n PHE 198 N -0.68 0.68 -2.50 7.33 3.01 -0.77 -4.86 117.46 119.68 1iru n PHE 198 Ca 0.00 0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 1iru n PHE 198 Cb 0.00 -1.88 -0.03 0.00 -0.01 0.00 0.00 39.48 37.56 1iru n PHE 198 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1iru s GLU 199 N 8.21 4.42 0.00 -1.08 0.41 -1.26 -4.81 118.70 124.59 1iru s GLU 199 Ca 1.18 1.65 0.00 0.00 -0.41 0.00 0.00 54.97 57.39 1iru s GLU 199 Cb -0.66 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.23 1iru s GLU 199 CO 0.38 -0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 1iru n GLY 200 N 3.22 0.27 3.36 -1.39 0.00 -1.26 -4.88 105.19 104.51 1iru n GLY 200 Ca 0.09 -2.27 -0.46 0.00 0.00 0.00 0.00 46.02 43.39 1iru n GLY 200 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iru s GLN 201 N 0.00 3.90 -0.69 1.61 0.00 -1.26 -5.00 119.66 118.22 1iru s GLN 201 Ca 0.00 -2.70 -0.26 0.00 -0.00 0.00 0.00 55.36 52.40 1iru s GLN 201 Cb 0.00 -4.61 -0.11 0.00 0.00 0.00 0.00 33.01 28.29 1iru s GLN 201 CO 0.00 -1.38 2.41 1.41 0.00 0.00 0.00 175.29 177.74 1iru s MET 202 N 0.03 1.76 0.00 9.60 0.00 -1.26 -4.90 119.30 124.52 1iru s MET 202 Ca 0.27 0.81 0.00 0.00 0.00 0.00 0.00 55.69 56.77 1iru s MET 202 Cb -0.09 -4.72 0.00 0.00 0.00 0.00 0.00 34.83 30.03 1iru s MET 202 CO -0.08 -4.07 0.00 0.25 0.00 0.00 0.00 175.02 171.12 1iru n THR 203 N 8.53 0.00 1.46 10.11 -2.24 -1.26 -4.97 114.28 125.91 1iru n THR 203 Ca 0.43 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.34 1iru n THR 203 Cb 0.47 -1.05 0.50 0.00 -2.10 0.00 0.00 70.33 68.15 1iru n THR 203 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iru n GLU 204 N 0.00 1.58 0.00 -0.78 0.28 -1.26 -3.39 120.64 117.07 1iru n GLU 204 Ca 0.00 -0.86 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 1iru n GLU 204 Cb 0.00 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.44 1iru n GLU 204 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iru n ASP 205 N 0.06 0.69 0.00 -1.84 8.00 -1.26 -4.52 116.55 117.69 1iru n ASP 205 Ca 0.18 -0.92 0.11 0.00 0.71 0.00 0.00 54.79 54.87 1iru n ASP 205 Cb 0.30 0.10 0.08 0.00 -0.02 0.00 0.00 41.12 41.58 1iru n ASP 205 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iru n ASN 206 N -0.10 0.69 -4.27 -2.24 5.03 -1.22 -4.83 115.26 108.33 1iru n ASN 206 Ca 0.00 -0.50 -0.15 0.00 0.87 0.00 0.00 54.58 54.80 1iru n ASN 206 Cb 0.05 0.61 -0.10 0.00 -1.02 0.00 0.00 39.78 39.31 1iru n ASN 206 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1iru s ILE 207 N -3.04 0.46 -0.16 2.41 -4.36 -1.25 -0.47 121.20 114.79 1iru s ILE 207 Ca 0.09 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 1iru s ILE 207 Cb 0.16 -2.45 0.05 0.00 1.25 0.00 0.00 42.46 41.47 1iru s ILE 207 CO 0.78 -0.14 0.41 -0.70 0.24 0.00 0.00 174.94 175.52 1iru s GLU 208 N -4.03 0.42 0.03 0.37 2.12 -1.19 -4.80 118.70 111.62 1iru s GLU 208 Ca 0.34 0.71 0.01 0.00 0.36 0.00 0.00 54.97 56.39 1iru s GLU 208 Cb 0.07 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 1iru s GLU 208 CO 0.10 -0.12 -0.05 0.14 -0.54 0.00 0.00 175.26 174.79 1iru s VAL 209 N 0.98 0.31 0.05 3.70 -7.23 -1.26 -2.60 120.40 114.35 1iru s VAL 209 Ca -0.06 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1iru s VAL 209 Cb -0.06 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1iru s VAL 209 CO -0.08 -0.37 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.43 1iru s GLY 210 N -1.32 0.56 0.08 2.32 0.00 -0.15 -0.41 107.32 108.40 1iru s GLY 210 Ca -0.11 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.79 1iru s GLY 210 CO -0.00 -0.94 -0.16 -0.26 0.00 0.00 0.00 173.10 171.74 1iru s ILE 211 N -1.83 1.26 -0.34 0.90 -4.36 -0.15 -0.87 121.20 115.82 1iru s ILE 211 Ca -0.06 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1iru s ILE 211 Cb -0.07 -1.23 0.11 0.00 1.25 0.00 0.00 42.46 42.52 1iru s ILE 211 CO -0.01 -0.21 0.13 0.00 0.24 0.00 0.00 174.94 175.08 1iru s ASN 213 N 1.31 5.29 0.00 0.00 4.22 -1.07 -0.11 114.94 124.58 1iru s ASN 213 Ca 0.12 -0.69 0.00 0.00 -2.14 0.00 0.00 52.86 50.15 1iru s ASN 213 Cb -0.19 -0.20 0.00 0.00 1.28 0.00 0.00 41.25 42.14 1iru s ASN 213 CO -0.18 -0.99 1.32 -0.62 -2.04 0.00 0.00 177.10 174.59 1iru n GLU 214 N -1.95 0.67 -2.51 3.55 -0.58 -1.26 -2.62 120.64 115.94 1iru n GLU 214 Ca 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.82 1iru n GLU 214 Cb 0.61 -1.16 0.08 0.00 -0.57 0.00 0.00 31.44 30.40 1iru n GLU 214 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iru n ALA 215 N 1.63 2.87 0.00 0.62 0.00 -1.26 -5.06 120.51 119.31 1iru n ALA 215 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1iru n ALA 215 Cb 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1iru n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iru n GLY 216 N -1.04 1.61 3.44 0.00 0.00 -1.08 -5.04 105.19 103.07 1iru n GLY 216 Ca -0.11 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1iru n GLY 216 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iru s PHE 217 N -2.38 2.57 0.22 1.61 5.36 -0.87 -2.61 117.98 121.88 1iru s PHE 217 Ca 0.00 -0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 55.52 1iru s PHE 217 Cb 0.00 -1.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.18 1iru s PHE 217 CO 0.00 0.17 0.59 -0.98 -1.46 0.00 0.00 175.22 173.54 1iru s ARG 218 N -1.01 1.50 -0.10 10.12 1.70 -0.74 -4.85 118.95 125.58 1iru s ARG 218 Ca 0.13 -0.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.46 1iru s ARG 218 Cb -0.10 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1iru s ARG 218 CO 0.02 -0.66 0.13 0.50 -1.08 0.00 0.00 175.30 174.21 1iru s ARG 219 N -3.88 3.39 0.16 3.89 3.52 -1.26 -0.97 118.95 123.79 1iru s ARG 219 Ca 0.09 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.28 1iru s ARG 219 Cb -0.03 -3.13 -0.08 0.00 -1.56 0.00 0.00 34.95 30.16 1iru s ARG 219 CO -0.00 0.76 0.72 -0.51 -0.81 0.00 0.00 175.30 175.45 1iru s LEU 220 N -1.15 4.52 0.74 -0.88 1.43 0.46 -4.96 118.68 118.85 1iru s LEU 220 Ca 0.17 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 1iru s LEU 220 Cb -0.12 -3.28 0.04 0.00 0.03 0.00 0.00 46.19 42.86 1iru s LEU 220 CO 0.06 0.18 1.08 0.42 0.23 0.00 0.00 176.35 178.32 1iru s THR 221 N -1.23 3.61 0.55 5.49 -4.23 -1.26 -4.66 115.64 113.91 1iru s THR 221 Ca 0.36 0.52 0.28 0.00 -1.18 0.00 0.00 61.69 61.67 1iru s THR 221 Cb -0.21 -3.23 0.41 0.00 1.34 0.00 0.00 72.50 70.81 1iru s THR 221 CO 0.23 -0.68 1.95 -0.65 -0.54 0.00 0.00 174.62 174.93 1iru h PRO 222 N -0.91 0.00 0.00 3.99 0.11 -1.97 -1.19 132.00 132.04 1iru h PRO 222 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iru h PRO 222 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1iru h PRO 222 CO 0.57 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.77 1iru n THR 223 N -4.14 0.00 0.30 -1.15 -1.04 -1.26 0.42 114.28 107.41 1iru n THR 223 Ca 0.11 1.13 0.08 0.00 -2.04 0.00 0.00 64.05 63.33 1iru n THR 223 Cb 0.69 -2.06 0.43 0.00 -1.82 0.00 0.00 70.33 67.58 1iru n THR 223 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iru h GLU 224 N 0.00 0.00 0.00 -2.82 5.08 -1.84 0.27 114.58 115.27 1iru h GLU 224 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1iru h GLU 224 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1iru h GLU 224 CO 0.00 0.00 -0.34 -0.39 -1.00 0.00 0.00 179.01 177.28 1iru h VAL 225 N 0.00 0.86 -0.97 3.13 -1.51 -1.02 -3.04 116.25 113.70 1iru h VAL 225 Ca 0.00 -1.75 0.26 0.00 -1.23 0.00 0.00 66.70 63.98 1iru h VAL 225 Cb 1.15 1.73 -0.06 0.00 -2.13 0.00 0.00 31.29 31.99 1iru h VAL 225 CO 0.00 0.29 0.67 0.07 -1.23 0.00 0.00 177.57 177.37 1iru h LYS 226 N -1.00 0.18 0.00 5.19 -0.00 0.35 -1.64 116.57 119.65 1iru h LYS 226 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.57 1iru h LYS 226 Cb 0.72 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.91 1iru h LYS 226 CO -0.04 0.12 0.00 -0.25 -0.00 0.00 0.00 179.45 179.28 1iru n ASP 227 N -4.39 0.00 -0.34 7.07 9.92 -0.42 -3.19 116.55 125.20 1iru n ASP 227 Ca 0.21 0.60 0.35 0.00 -0.53 0.00 0.00 54.79 55.42 1iru n ASP 227 Cb 0.91 -0.26 0.60 0.00 -0.64 0.00 0.00 41.12 41.73 1iru n ASP 227 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1iru h TYR 228 N 0.00 0.00 -0.40 1.24 -1.99 -1.37 0.25 116.97 114.70 1iru h TYR 228 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iru h TYR 228 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1iru h TYR 228 CO 0.08 0.00 0.26 -0.07 -0.00 0.00 0.00 178.16 178.43 1iru h LEU 229 N 0.00 0.47 -2.05 3.88 3.38 -1.26 -2.93 115.31 116.79 1iru h LEU 229 Ca 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1iru h LEU 229 Cb 2.99 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.62 1iru h LEU 229 CO -0.01 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1iru n ALA 230 N -2.21 1.53 -3.05 1.53 0.00 0.87 -4.54 120.51 114.64 1iru n ALA 230 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1iru n ALA 230 Cb 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.50 1iru n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru n ALA 231 N 1.01 -0.98 -2.33 0.00 0.00 -1.15 -4.84 120.51 112.23 1iru n ALA 231 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1iru n ALA 231 Cb 0.01 -3.98 0.00 0.00 0.00 0.00 0.00 19.45 15.49 1iru n ALA 231 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1iru n ILE 232 N -4.54 0.00 -0.95 0.00 -5.35 -1.12 -5.11 119.36 102.29 1iru n ILE 232 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1iru n ILE 232 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1iru n ILE 232 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79