#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3n n GLU 3 N 0.00 0.00 -1.43 0.00 0.00 -1.17 -4.71 120.64 113.33 1i3n n GLU 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1i3n n GLU 3 Cb 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 31.44 31.29 1i3n n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1i3n s LYS 4 N -2.00 2.43 -0.18 3.44 -0.14 -1.16 -4.64 119.74 117.51 1i3n s LYS 4 Ca 0.00 1.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 1i3n s LYS 4 Cb 0.00 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.24 1i3n s LYS 4 CO 0.00 -1.52 -0.16 0.08 -0.76 0.00 0.00 175.35 173.00 1i3n s VAL 5 N -2.70 2.49 0.04 3.17 1.01 -0.12 -0.66 120.40 123.62 1i3n s VAL 5 Ca 0.63 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 1i3n s VAL 5 Cb -0.18 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1i3n s VAL 5 CO 0.51 0.51 0.82 -0.22 0.00 0.00 0.00 175.10 176.72 1i3n s LEU 6 N 1.13 4.43 -0.31 3.92 2.96 -0.37 -0.91 118.68 129.53 1i3n s LEU 6 Ca 0.01 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1i3n s LEU 6 Cb -0.14 -3.32 0.09 0.00 0.50 0.00 0.00 46.19 43.32 1i3n s LEU 6 CO -0.06 -0.05 0.01 -0.69 -1.32 0.00 0.00 176.35 174.24 1i3n s VAL 7 N 0.19 2.00 0.36 1.68 1.01 0.95 -0.08 120.40 126.51 1i3n s VAL 7 Ca 0.42 -1.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.20 1i3n s VAL 7 Cb -0.21 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 1i3n s VAL 7 CO 0.24 -0.43 0.94 0.42 0.00 0.00 0.00 175.10 176.28 1i3n s THR 8 N 1.09 4.28 -1.86 3.92 -4.23 -0.33 -1.94 115.64 116.57 1i3n s THR 8 Ca 0.05 1.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.26 1i3n s THR 8 Cb -0.19 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1i3n s THR 8 CO -0.09 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1i3n n GLY 9 N 0.16 0.17 0.00 3.99 0.00 0.42 -2.03 105.19 107.91 1i3n n GLY 9 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1i3n n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3n n GLY 10 N -0.83 -0.78 0.02 -0.02 0.00 -1.17 -1.82 105.19 100.58 1i3n n GLY 10 Ca -0.23 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1i3n n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n n ALA 11 N -1.45 3.15 -1.22 4.61 0.00 -1.26 -1.80 120.51 122.54 1i3n n ALA 11 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1i3n n ALA 11 Cb 0.11 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 18.46 1i3n n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 12 N 1.46 -2.00 0.40 0.00 0.00 -0.75 -4.60 105.19 99.69 1i3n n GLY 12 Ca 0.05 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1i3n n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3n h TYR 13 N -1.76 -1.01 -0.34 1.61 3.20 -1.89 0.16 116.97 116.95 1i3n h TYR 13 Ca -0.20 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.49 1i3n h TYR 13 Cb 0.59 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1i3n h TYR 13 CO 0.00 -0.56 -0.46 0.82 -1.64 0.00 0.00 178.16 176.32 1i3n h ILE 14 N -0.92 1.27 -0.46 1.81 2.04 -1.94 -3.11 117.51 116.21 1i3n h ILE 14 Ca -0.08 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1i3n h ILE 14 Cb 0.74 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1i3n h ILE 14 CO 0.07 0.54 0.29 1.23 0.00 0.00 0.00 178.15 180.29 1i3n h GLY 15 N 0.74 0.65 1.02 5.37 0.00 -1.77 -1.30 103.07 107.79 1i3n h GLY 15 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1i3n h GLY 15 CO 0.11 0.25 0.49 1.48 0.00 0.00 0.00 176.54 178.87 1i3n h SER 16 N 0.61 1.09 -0.17 0.19 4.64 0.14 0.24 113.55 120.29 1i3n h SER 16 Ca 0.17 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1i3n h SER 16 Cb -0.04 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 1i3n h SER 16 CO -0.03 0.87 -0.11 0.45 -0.87 0.00 0.00 176.83 177.13 1i3n h HIS 17 N 1.22 0.58 -0.29 4.77 -0.00 -1.44 -2.00 115.15 117.99 1i3n h HIS 17 Ca 0.31 -0.09 -0.18 0.00 -0.00 0.00 0.00 60.37 60.41 1i3n h HIS 17 Cb 0.01 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 1i3n h HIS 17 CO 0.01 0.63 -0.52 1.15 -0.00 0.00 0.00 177.93 179.20 1i3n h THR 18 N 0.50 1.28 -0.79 2.45 2.02 -0.33 -1.40 112.91 116.64 1i3n h THR 18 Ca 0.09 -1.71 0.05 0.00 0.77 0.00 0.00 66.41 65.61 1i3n h THR 18 Cb 0.49 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 1i3n h THR 18 CO 0.03 0.56 0.48 0.58 0.37 0.00 0.00 175.52 177.54 1i3n h VAL 19 N 0.66 1.05 -0.19 3.16 2.07 -0.27 0.22 116.25 122.94 1i3n h VAL 19 Ca 0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1i3n h VAL 19 Cb 1.12 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1i3n h VAL 19 CO 0.12 0.16 0.11 0.25 0.02 0.00 0.00 177.57 178.23 1i3n h LEU 20 N 0.90 0.18 -1.02 2.57 6.46 -1.17 -0.39 115.31 122.85 1i3n h LEU 20 Ca 0.34 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1i3n h LEU 20 Cb 0.12 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1i3n h LEU 20 CO -0.16 0.14 0.31 -0.33 -0.62 0.00 0.00 178.44 177.78 1i3n h GLU 21 N 0.23 1.01 -0.09 1.25 4.39 -0.55 -0.94 114.58 119.88 1i3n h GLU 21 Ca 0.07 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1i3n h GLU 21 Cb -0.01 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1i3n h GLU 21 CO -0.03 0.80 0.06 -0.07 -1.16 0.00 0.00 179.01 178.61 1i3n h LEU 22 N 1.00 0.10 -0.66 1.33 3.38 -0.01 -1.24 115.31 119.21 1i3n h LEU 22 Ca 0.24 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1i3n h LEU 22 Cb 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1i3n h LEU 22 CO -0.03 0.08 0.43 -0.07 0.09 0.00 0.00 178.44 178.95 1i3n h LEU 23 N 0.11 0.74 -1.55 1.67 3.38 -0.76 0.17 115.31 119.08 1i3n h LEU 23 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1i3n h LEU 23 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1i3n h LEU 23 CO -0.01 0.53 -0.21 -0.33 0.09 0.00 0.00 178.44 178.51 1i3n h GLU 24 N 0.88 0.00 -0.01 1.13 5.08 -0.87 -2.15 114.58 118.64 1i3n h GLU 24 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1i3n h GLU 24 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1i3n h GLU 24 CO -0.07 0.21 -0.03 0.00 -1.00 0.00 0.00 179.01 178.12 1i3n n ALA 25 N -2.32 2.64 -0.43 3.43 0.00 -0.50 -4.93 120.51 118.41 1i3n n ALA 25 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1i3n n ALA 25 Cb 0.33 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1i3n n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 26 N 1.19 0.75 3.94 0.00 0.00 -0.81 -5.07 105.19 105.20 1i3n n GLY 26 Ca 0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1i3n n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3n s TYR 27 N -2.00 3.36 -0.39 1.61 2.02 -0.01 -5.01 117.35 116.93 1i3n s TYR 27 Ca 0.00 0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 57.06 1i3n s TYR 27 Cb 0.00 -2.22 0.10 0.00 -0.40 0.00 0.00 41.96 39.44 1i3n s TYR 27 CO 0.00 -0.24 0.17 -0.51 -1.57 0.00 0.00 175.55 173.40 1i3n s LEU 28 N -4.55 5.02 0.26 -1.29 1.43 -1.26 -4.25 118.68 114.03 1i3n s LEU 28 Ca 0.46 -1.88 -0.07 0.00 -1.03 0.00 0.00 54.13 51.62 1i3n s LEU 28 Cb -0.10 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1i3n s LEU 28 CO 0.39 -0.49 0.54 -2.16 0.23 0.00 0.00 176.35 174.86 1i3n s PRO 29 N 1.17 3.70 -0.14 1.29 0.04 -1.26 -0.95 135.00 138.85 1i3n s PRO 29 Ca 0.06 0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.21 1i3n s PRO 29 Cb -0.22 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1i3n s PRO 29 CO -0.03 0.27 -0.10 0.08 0.04 0.00 0.00 177.00 177.26 1i3n s VAL 30 N -1.96 1.29 -0.06 -0.36 1.01 -0.09 -4.05 120.40 116.18 1i3n s VAL 30 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1i3n s VAL 30 Cb -0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1i3n s VAL 30 CO 0.26 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 174.99 1i3n s VAL 31 N 1.59 3.98 0.06 2.92 1.01 0.01 -0.04 120.40 129.94 1i3n s VAL 31 Ca 0.04 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1i3n s VAL 31 Cb -0.13 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1i3n s VAL 31 CO -0.09 0.55 -0.18 0.27 0.00 0.00 0.00 175.10 175.65 1i3n s ILE 32 N -0.89 1.42 -0.15 2.22 -4.36 -0.82 -0.97 121.20 117.65 1i3n s ILE 32 Ca 0.14 -1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 59.03 1i3n s ILE 32 Cb -0.11 -1.28 0.11 0.00 1.25 0.00 0.00 42.46 42.44 1i3n s ILE 32 CO 0.04 0.04 0.93 -0.62 0.24 0.00 0.00 174.94 175.57 1i3n s ASP 33 N -1.37 -0.44 0.00 4.36 2.15 -1.20 -0.44 116.67 119.73 1i3n s ASP 33 Ca 0.04 0.53 0.16 0.00 0.43 0.00 0.00 52.55 53.71 1i3n s ASP 33 Cb -0.09 0.43 0.32 0.00 -0.30 0.00 0.00 42.92 43.28 1i3n s ASP 33 CO 0.02 -0.37 1.23 -0.46 -0.17 0.00 0.00 175.17 175.42 1i3n n ASN 34 N 0.96 2.96 -0.25 -0.34 6.94 -1.11 -1.63 115.26 122.79 1i3n n ASN 34 Ca -0.12 -1.87 -0.03 0.00 -0.02 0.00 0.00 54.58 52.54 1i3n n ASN 34 Cb 0.57 -0.20 -0.01 0.00 -2.36 0.00 0.00 39.78 37.78 1i3n n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3n n PHE 35 N 0.97 0.00 -0.22 -2.53 3.01 -1.26 -4.88 117.46 112.55 1i3n n PHE 35 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.67 1i3n n PHE 35 Cb 0.47 -1.52 0.33 0.00 -0.01 0.00 0.00 39.48 38.76 1i3n n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3n h HIS 36 N 0.00 0.82 -0.53 1.38 2.76 -1.99 -3.16 115.15 114.43 1i3n h HIS 36 Ca -0.07 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 57.85 1i3n h HIS 36 Cb 0.68 -0.27 -0.40 0.00 1.55 0.00 0.00 27.41 28.97 1i3n h HIS 36 CO 0.38 0.42 -1.11 -1.71 -1.30 0.00 0.00 177.93 174.61 1i3n n ASN 37 N -4.49 1.78 -3.89 3.26 5.15 -1.26 -5.06 115.26 110.74 1i3n n ASN 37 Ca 0.12 -2.23 -0.11 0.00 -0.60 0.00 0.00 54.58 51.76 1i3n n ASN 37 Cb 0.25 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.91 1i3n n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3n s ALA 38 N -3.70 -0.11 -0.12 5.20 0.00 -1.20 -4.79 121.76 117.03 1i3n s ALA 38 Ca 0.29 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 1i3n s ALA 38 Cb 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1i3n s ALA 38 CO -0.03 -0.11 0.61 0.12 0.00 0.00 0.00 175.76 176.36 1i3n s PHE 39 N -0.70 3.50 0.07 0.00 5.36 -1.26 -4.72 117.98 120.24 1i3n s PHE 39 Ca -0.08 1.05 -0.30 0.00 -0.96 0.00 0.00 56.93 56.64 1i3n s PHE 39 Cb -0.05 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 1i3n s PHE 39 CO 0.00 0.05 1.05 0.50 -1.46 0.00 0.00 175.22 175.36 1i3n s ARG 40 N 1.03 4.57 0.00 10.12 3.52 -1.26 -1.07 118.95 135.85 1i3n s ARG 40 Ca 0.31 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 1i3n s ARG 40 Cb -0.16 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1i3n s ARG 40 CO 0.13 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 1i3n n GLY 41 N 2.66 0.10 0.05 8.12 0.00 -1.15 -4.59 105.19 110.38 1i3n n GLY 41 Ca 0.05 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1i3n n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3n n GLY 42 N 5.00 -1.54 0.00 -0.02 0.00 -1.26 -4.90 105.19 102.46 1i3n n GLY 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1i3n n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3n n GLY 43 N 1.40 4.37 0.20 -0.02 0.00 -1.26 -5.06 105.19 104.82 1i3n n GLY 43 Ca 0.06 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1i3n n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3n h SER 44 N 0.00 -0.35 -4.05 1.61 4.64 -2.02 -3.46 113.55 109.92 1i3n h SER 44 Ca 0.00 -0.19 -0.54 0.00 -0.47 0.00 0.00 61.79 60.59 1i3n h SER 44 Cb 0.00 0.09 0.11 0.00 -0.31 0.00 0.00 62.40 62.29 1i3n h SER 44 CO 0.00 0.09 0.55 -0.76 -0.87 0.00 0.00 176.83 175.84 1i3n s LEU 45 N -9.30 3.85 0.58 5.97 1.43 -1.26 -4.87 118.68 115.09 1i3n s LEU 45 Ca -0.13 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.36 1i3n s LEU 45 Cb 0.01 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 1i3n s LEU 45 CO 0.48 -1.42 1.19 -2.84 0.23 0.00 0.00 176.35 173.99 1i3n s PRO 46 N -2.93 3.07 0.25 1.29 0.02 -1.26 -2.95 135.00 132.48 1i3n s PRO 46 Ca 0.71 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 1i3n s PRO 46 Cb -0.36 -1.96 0.47 0.00 0.02 0.00 0.00 34.50 32.67 1i3n s PRO 46 CO 0.42 -1.12 1.73 1.49 -0.33 0.00 0.00 177.00 179.19 1i3n h GLU 47 N 0.98 0.44 -0.63 5.54 4.57 -1.35 0.37 114.58 124.50 1i3n h GLU 47 Ca -0.50 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 57.75 1i3n h GLU 47 Cb 1.29 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.71 1i3n h GLU 47 CO 0.56 0.29 0.25 0.66 -1.18 0.00 0.00 179.01 179.58 1i3n h SER 48 N 0.46 0.25 0.40 1.04 4.64 -1.87 0.27 113.55 118.74 1i3n h SER 48 Ca 0.42 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.64 1i3n h SER 48 Cb 0.63 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1i3n h SER 48 CO -0.40 0.14 -0.77 -0.07 -0.87 0.00 0.00 176.83 174.86 1i3n h LEU 49 N 0.43 0.36 -0.56 5.97 3.38 -1.56 -0.91 115.31 122.42 1i3n h LEU 49 Ca 0.32 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1i3n h LEU 49 Cb 0.40 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1i3n h LEU 49 CO -0.31 1.00 0.30 -0.09 0.09 0.00 0.00 178.44 179.42 1i3n h ARG 50 N 0.19 0.55 -0.48 1.13 2.43 -0.21 0.62 114.38 118.62 1i3n h ARG 50 Ca -0.03 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1i3n h ARG 50 Cb 1.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1i3n h ARG 50 CO 0.12 0.36 0.05 0.00 -1.51 0.00 0.00 179.97 179.00 1i3n h ARG 51 N 0.57 0.81 -0.98 0.20 3.08 -0.82 -1.59 114.38 115.65 1i3n h ARG 51 Ca 0.25 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1i3n h ARG 51 Cb 0.14 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1i3n h ARG 51 CO -0.16 0.83 0.64 0.28 -1.07 0.00 0.00 179.97 180.49 1i3n h VAL 52 N 0.68 1.15 -0.47 2.04 2.07 -0.48 0.33 116.25 121.58 1i3n h VAL 52 Ca 0.14 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1i3n h VAL 52 Cb 0.43 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1i3n h VAL 52 CO 0.01 0.22 0.22 -0.61 0.02 0.00 0.00 177.57 177.43 1i3n h GLN 53 N 1.22 0.67 -0.29 1.57 4.15 -0.59 0.19 115.11 122.03 1i3n h GLN 53 Ca 0.39 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 1i3n h GLN 53 Cb 0.04 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1i3n h GLN 53 CO -0.13 0.58 0.13 1.49 -1.93 0.00 0.00 178.83 178.97 1i3n h GLU 54 N 0.61 0.42 -0.73 1.69 4.22 -0.38 0.24 114.58 120.65 1i3n h GLU 54 Ca 0.16 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.47 1i3n h GLU 54 Cb 0.13 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1i3n h GLU 54 CO -0.02 0.41 0.21 -0.07 -2.18 0.00 0.00 179.01 177.36 1i3n h LEU 55 N 0.33 1.08 0.00 1.64 3.38 -0.01 -3.13 115.31 118.60 1i3n h LEU 55 Ca 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1i3n h LEU 55 Cb 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1i3n h LEU 55 CO -0.01 1.01 -1.04 0.35 0.09 0.00 0.00 178.44 178.84 1i3n n THR 56 N -4.24 0.57 -1.10 0.22 -2.24 0.62 -4.93 114.28 103.17 1i3n n THR 56 Ca 0.06 -0.53 -0.04 0.00 -2.27 0.00 0.00 64.05 61.27 1i3n n THR 56 Cb 0.24 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1i3n n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3n n GLY 57 N 1.19 0.64 3.49 3.38 0.00 0.85 -5.01 105.19 109.73 1i3n n GLY 57 Ca -0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1i3n n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3n s ARG 58 N -1.69 1.76 0.29 1.61 0.52 -1.19 -5.04 118.95 115.21 1i3n s ARG 58 Ca 0.00 -1.29 -0.26 0.00 -0.52 0.00 0.00 55.73 53.67 1i3n s ARG 58 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 1i3n s ARG 58 CO 0.00 0.45 0.91 0.45 0.02 0.00 0.00 175.30 177.13 1i3n s SER 59 N -2.41 7.36 -0.30 0.23 0.15 -1.26 -4.49 113.70 112.98 1i3n s SER 59 Ca 0.20 1.79 -0.07 0.00 0.70 0.00 0.00 55.95 58.57 1i3n s SER 59 Cb -0.10 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1i3n s SER 59 CO 0.11 0.00 0.09 -0.69 1.20 0.00 0.00 173.24 173.95 1i3n s VAL 60 N -1.50 3.98 -0.15 4.45 1.01 -1.26 -4.94 120.40 121.99 1i3n s VAL 60 Ca 0.47 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 1i3n s VAL 60 Cb -0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1i3n s VAL 60 CO 0.25 0.05 0.90 -1.61 0.00 0.00 0.00 175.10 174.69 1i3n s GLU 61 N 1.50 4.34 0.01 2.72 0.41 -1.26 -5.02 118.70 121.39 1i3n s GLU 61 Ca 0.02 1.17 -0.01 0.00 -0.41 0.00 0.00 54.97 55.74 1i3n s GLU 61 Cb -0.17 -3.56 -0.01 0.00 -1.78 0.00 0.00 34.13 28.60 1i3n s GLU 61 CO 0.03 -0.34 0.01 0.12 -0.49 0.00 0.00 175.26 174.60 1i3n s PHE 62 N 2.15 0.13 -0.06 1.61 5.36 -1.26 -0.81 117.98 125.11 1i3n s PHE 62 Ca 0.42 -0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1i3n s PHE 62 Cb -0.17 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.43 1i3n s PHE 62 CO 0.14 -0.15 -0.01 -1.21 -1.46 0.00 0.00 175.22 172.52 1i3n s GLU 63 N -0.98 0.64 -0.25 10.12 0.41 -0.14 -4.95 118.70 123.55 1i3n s GLU 63 Ca -0.11 0.03 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 1i3n s GLU 63 Cb -0.07 -0.86 0.01 0.00 -1.78 0.00 0.00 34.13 31.44 1i3n s GLU 63 CO -0.00 -0.20 1.06 -2.00 -0.49 0.00 0.00 175.26 173.62 1i3n s GLU 64 N 1.48 4.22 0.05 1.61 2.12 -1.26 -3.24 118.70 123.67 1i3n s GLU 64 Ca -0.03 1.31 -0.28 0.00 0.36 0.00 0.00 54.97 56.33 1i3n s GLU 64 Cb -0.13 -3.67 0.09 0.00 0.26 0.00 0.00 34.13 30.68 1i3n s GLU 64 CO -0.03 -0.69 0.99 0.00 -0.54 0.00 0.00 175.26 174.99 1i3n s MET 65 N 3.31 0.90 -0.15 4.30 0.23 -0.65 -4.94 119.30 122.31 1i3n s MET 65 Ca 0.45 -0.44 -0.04 0.00 -1.03 0.00 0.00 55.69 54.62 1i3n s MET 65 Cb -0.15 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1i3n s MET 65 CO 0.08 -0.41 -0.00 0.34 -2.03 0.00 0.00 175.02 173.01 1i3n s ASP 66 N -2.73 5.13 0.55 -1.18 -1.08 -1.26 -2.77 116.67 113.33 1i3n s ASP 66 Ca 0.10 -0.01 0.37 0.00 -0.52 0.00 0.00 52.55 52.49 1i3n s ASP 66 Cb -0.00 -1.76 1.98 0.00 -1.46 0.00 0.00 42.92 41.68 1i3n s ASP 66 CO -0.03 0.22 2.12 0.16 0.52 0.00 0.00 175.17 178.17 1i3n h ILE 67 N 4.83 0.00 -0.00 4.11 3.07 -1.98 -0.08 117.51 127.46 1i3n h ILE 67 Ca -0.37 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.02 1i3n h ILE 67 Cb 1.18 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1i3n h ILE 67 CO 0.63 0.00 -0.01 0.18 -1.05 0.00 0.00 178.15 177.90 1i3n n LEU 68 N -2.80 0.03 -4.39 0.16 4.77 -1.26 -4.61 117.00 108.90 1i3n n LEU 68 Ca -0.02 0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.80 1i3n n LEU 68 Cb 0.07 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1i3n n LEU 68 CO 0.17 0.01 0.54 -0.62 -1.33 0.00 0.00 177.39 176.15 1i3n s ASP 69 N -2.62 6.35 0.20 -1.43 -1.08 -0.05 -4.91 116.67 113.13 1i3n s ASP 69 Ca 0.27 -1.71 -0.12 0.00 -0.52 0.00 0.00 52.55 50.47 1i3n s ASP 69 Cb 0.20 -2.31 0.24 0.00 -1.46 0.00 0.00 42.92 39.59 1i3n s ASP 69 CO 0.47 -1.04 1.70 1.56 0.52 0.00 0.00 175.17 178.37 1i3n h GLN 70 N 8.93 0.19 -0.39 4.34 4.20 -1.86 -1.00 115.11 129.52 1i3n h GLN 70 Ca -0.15 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.60 1i3n h GLN 70 Cb 1.07 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1i3n h GLN 70 CO 1.06 0.12 0.13 0.78 -0.67 0.00 0.00 178.83 180.25 1i3n h GLY 71 N 0.19 0.50 1.27 3.46 0.00 -1.97 0.48 103.07 107.00 1i3n h GLY 71 Ca 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1i3n h GLY 71 CO -0.41 0.02 0.15 0.00 0.00 0.00 0.00 176.54 176.31 1i3n h ALA 72 N 1.26 1.15 -0.46 3.60 0.00 -1.81 -0.93 119.26 122.07 1i3n h ALA 72 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1i3n h ALA 72 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1i3n h ALA 72 CO -0.19 0.58 0.20 -0.07 0.00 0.00 0.00 179.25 179.77 1i3n h LEU 73 N 0.88 0.62 -0.57 0.00 3.38 -0.43 0.12 115.31 119.31 1i3n h LEU 73 Ca 0.19 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i3n h LEU 73 Cb 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1i3n h LEU 73 CO -0.00 0.60 0.38 1.56 0.09 0.00 0.00 178.44 181.06 1i3n h GLN 74 N 0.60 0.74 -0.74 1.13 4.20 -0.48 -0.52 115.11 120.03 1i3n h GLN 74 Ca 0.15 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1i3n h GLN 74 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1i3n h GLN 74 CO -0.02 0.49 0.24 0.00 -0.67 0.00 0.00 178.83 178.88 1i3n h ARG 75 N 0.77 1.14 -0.62 1.46 3.08 -0.92 -2.08 114.38 117.21 1i3n h ARG 75 Ca 0.21 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1i3n h ARG 75 Cb -0.08 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1i3n h ARG 75 CO -0.05 0.97 0.30 1.25 -1.07 0.00 0.00 179.97 181.36 1i3n h LEU 76 N 1.09 0.81 -0.72 3.04 5.85 -0.01 -1.14 115.31 124.23 1i3n h LEU 76 Ca 0.24 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1i3n h LEU 76 Cb 0.29 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1i3n h LEU 76 CO -0.01 0.71 0.00 -0.26 -0.34 0.00 0.00 178.44 178.54 1i3n h PHE 77 N 0.84 0.00 0.24 1.25 -1.00 -0.93 -2.22 116.94 115.12 1i3n h PHE 77 Ca 0.21 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.65 1i3n h PHE 77 Cb 0.12 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.71 1i3n h PHE 77 CO 0.00 0.00 -1.53 0.87 -1.61 0.00 0.00 178.31 176.04 1i3n h LYS 78 N 0.00 0.51 -0.34 1.51 1.57 -0.99 -3.37 116.57 115.47 1i3n h LYS 78 Ca 0.00 -0.88 -0.07 0.00 -1.87 0.00 0.00 60.65 57.83 1i3n h LYS 78 Cb 0.65 0.33 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1i3n h LYS 78 CO 0.00 1.42 -0.07 -0.22 -0.57 0.00 0.00 179.45 180.01 1i3n h LYS 79 N 0.13 0.64 -6.43 3.15 3.64 -0.99 -3.45 116.57 113.27 1i3n h LYS 79 Ca -0.28 -0.24 -0.63 0.00 -1.27 0.00 0.00 60.65 58.23 1i3n h LYS 79 Cb 2.15 -0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 33.80 1i3n h LYS 79 CO 0.26 0.81 -0.70 0.71 -2.27 0.00 0.00 179.45 178.25 1i3n s TYR 80 N -4.80 2.74 -0.48 1.91 2.02 -0.86 -5.09 117.35 112.79 1i3n s TYR 80 Ca -0.13 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 1i3n s TYR 80 Cb 0.09 -1.36 0.11 0.00 -0.40 0.00 0.00 41.96 40.39 1i3n s TYR 80 CO 0.79 0.49 0.38 -1.12 -1.57 0.00 0.00 175.55 174.52 1i3n s SER 81 N -2.70 5.90 0.16 2.29 0.01 -1.26 -4.65 113.70 113.44 1i3n s SER 81 Ca 0.25 -1.70 -0.05 0.00 1.31 0.00 0.00 55.95 55.76 1i3n s SER 81 Cb -0.10 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 1i3n s SER 81 CO 0.16 -0.70 0.40 -0.36 0.41 0.00 0.00 173.24 173.15 1i3n s PHE 82 N 1.49 3.47 -0.04 2.43 2.99 -1.26 -1.02 117.98 126.03 1i3n s PHE 82 Ca 0.04 0.60 0.16 0.00 0.00 0.00 0.00 56.93 57.73 1i3n s PHE 82 Cb -0.26 -2.04 -0.25 0.00 0.00 0.00 0.00 43.02 40.47 1i3n s PHE 82 CO 0.02 0.41 0.36 0.00 -0.00 0.00 0.00 175.22 176.01 1i3n n MET 83 N 0.04 0.52 -3.58 0.44 0.00 0.17 -3.16 117.12 111.55 1i3n n MET 83 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 57.70 57.45 1i3n n MET 83 Cb 0.52 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.34 1i3n n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3n s ALA 84 N -3.12 -1.62 -0.04 3.17 0.00 -1.24 -4.58 121.76 114.34 1i3n s ALA 84 Ca -0.06 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1i3n s ALA 84 Cb 0.10 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1i3n s ALA 84 CO 0.68 -0.84 -0.08 0.08 0.00 0.00 0.00 175.76 175.60 1i3n s VAL 85 N -3.50 0.75 -0.27 0.00 1.01 -0.51 -1.24 120.40 116.65 1i3n s VAL 85 Ca 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1i3n s VAL 85 Cb -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1i3n s VAL 85 CO -0.06 0.25 0.01 -0.63 0.00 0.00 0.00 175.10 174.68 1i3n s ILE 86 N 0.49 3.49 -0.71 2.22 1.01 0.88 -0.84 121.20 127.74 1i3n s ILE 86 Ca -0.08 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1i3n s ILE 86 Cb -0.12 -2.76 0.18 0.00 0.01 0.00 0.00 42.46 39.78 1i3n s ILE 86 CO 0.01 0.17 0.63 -2.28 0.00 0.00 0.00 174.94 173.48 1i3n s HIS 87 N 1.43 3.58 -0.12 3.97 2.46 -0.07 -1.19 115.29 125.36 1i3n s HIS 87 Ca 0.02 -1.94 0.20 0.00 0.47 0.00 0.00 55.06 53.81 1i3n s HIS 87 Cb -0.17 -3.70 -0.22 0.00 -0.13 0.00 0.00 32.58 28.36 1i3n s HIS 87 CO -0.01 -0.98 0.54 1.19 -2.47 0.00 0.00 174.74 173.01 1i3n n PHE 88 N 4.25 0.37 -1.70 3.88 3.72 -0.86 -3.03 117.46 124.09 1i3n n PHE 88 Ca 0.05 0.12 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 1i3n n PHE 88 Cb 0.44 -0.83 -0.03 0.00 -0.94 0.00 0.00 39.48 38.11 1i3n n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3n n ALA 89 N -2.40 2.38 0.00 4.37 0.00 -1.14 -4.80 120.51 118.92 1i3n n ALA 89 Ca -0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1i3n n ALA 89 Cb 0.78 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1i3n n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3n n GLY 90 N 3.82 0.02 3.81 0.00 0.00 -1.26 -4.93 105.19 106.65 1i3n n GLY 90 Ca 0.16 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1i3n n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3n s LEU 91 N 0.00 4.28 0.33 0.99 1.43 -1.26 -5.05 118.68 119.40 1i3n s LEU 91 Ca 0.00 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1i3n s LEU 91 Cb 0.00 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1i3n s LEU 91 CO 0.00 0.32 0.15 -1.59 0.23 0.00 0.00 176.35 175.46 1i3n s LYS 92 N -0.49 2.42 -0.17 1.70 -2.85 -1.26 -4.98 119.74 114.11 1i3n s LYS 92 Ca 0.12 -1.51 -0.28 0.00 -1.00 0.00 0.00 55.97 53.30 1i3n s LYS 92 Cb -0.12 -2.21 -0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1i3n s LYS 92 CO 0.02 0.13 0.98 0.00 0.10 0.00 0.00 175.35 176.58 1i3n s ALA 93 N -2.40 3.54 -0.36 0.59 0.00 -1.26 -4.75 121.76 117.12 1i3n s ALA 93 Ca 0.38 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 1i3n s ALA 93 Cb -0.03 -3.44 0.31 0.00 0.00 0.00 0.00 23.12 19.96 1i3n s ALA 93 CO 0.23 -0.79 1.87 -1.33 0.00 0.00 0.00 175.76 175.74 1i3n n MET 94 N 5.58 1.92 -0.98 0.00 0.00 -1.26 -4.62 117.12 117.77 1i3n n MET 94 Ca 0.09 -1.90 0.00 0.00 0.00 0.00 0.00 57.70 55.89 1i3n n MET 94 Cb 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 31.95 1i3n n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i3n n GLY 95 N -0.11 0.93 0.22 3.03 0.00 -1.26 -4.94 105.19 103.06 1i3n n GLY 95 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 1i3n n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3n h GLU 96 N 2.76 0.74 -0.83 1.61 5.08 -1.89 -3.40 114.58 118.66 1i3n h GLU 96 Ca 0.00 -0.35 0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1i3n h GLU 96 Cb 0.00 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.11 1i3n h GLU 96 CO 0.00 0.97 -0.34 -1.13 -1.00 0.00 0.00 179.01 177.50 1i3n n SER 97 N -4.28 -0.58 -0.33 1.42 3.41 -1.26 0.07 113.62 112.07 1i3n n SER 97 Ca -0.03 1.46 0.22 0.00 -0.26 0.00 0.00 58.87 60.26 1i3n n SER 97 Cb 0.44 -0.32 0.49 0.00 -0.26 0.00 0.00 64.21 64.56 1i3n n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3n h VAL 98 N 0.00 0.52 0.00 -3.33 2.07 -1.97 -1.98 116.25 111.56 1i3n h VAL 98 Ca 0.27 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.46 1i3n h VAL 98 Cb 0.48 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1i3n h VAL 98 CO -0.82 0.08 -1.15 1.56 0.02 0.00 0.00 177.57 177.25 1i3n h GLN 99 N 0.42 0.00 -2.08 1.57 1.08 -0.65 -3.42 115.11 112.02 1i3n h GLN 99 Ca 0.61 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 57.29 1i3n h GLN 99 Cb 1.49 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.51 1i3n h GLN 99 CO -0.33 0.56 -1.03 0.36 -0.95 0.00 0.00 178.83 177.44 1i3n n LYS 100 N -3.12 1.62 -0.28 1.46 2.85 -0.75 -4.96 118.16 114.97 1i3n n LYS 100 Ca -0.06 -3.81 0.09 0.00 -1.05 0.00 0.00 58.31 53.48 1i3n n LYS 100 Cb 0.89 -1.84 0.22 0.00 -0.65 0.00 0.00 35.03 33.64 1i3n n LYS 100 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1i3n h PRO 101 N 3.06 0.13 -0.73 -1.58 0.11 -1.81 -1.99 132.00 129.19 1i3n h PRO 101 Ca 0.11 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1i3n h PRO 101 Cb 0.83 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 1i3n h PRO 101 CO 0.59 0.08 0.48 -0.07 -0.21 0.00 0.00 178.00 178.88 1i3n h LEU 102 N 0.13 0.80 -0.56 2.35 3.38 -1.92 0.08 115.31 119.56 1i3n h LEU 102 Ca 0.49 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.36 1i3n h LEU 102 Cb 0.92 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1i3n h LEU 102 CO -0.70 0.57 0.02 0.44 0.09 0.00 0.00 178.44 178.87 1i3n h ASP 103 N 0.94 0.96 -0.05 -0.43 3.45 -1.78 0.86 116.42 120.38 1i3n h ASP 103 Ca 0.28 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1i3n h ASP 103 Cb -0.04 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.47 1i3n h ASP 103 CO -0.07 1.02 0.01 1.88 -1.57 0.00 0.00 179.24 180.51 1i3n h TYR 104 N 0.87 0.08 -0.57 4.55 -1.99 -1.39 -0.56 116.97 117.96 1i3n h TYR 104 Ca 0.16 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1i3n h TYR 104 Cb 0.51 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.20 1i3n h TYR 104 CO 0.04 0.31 0.32 1.88 -0.00 0.00 0.00 178.16 180.70 1i3n h TYR 105 N -0.17 0.77 0.94 4.88 0.99 -0.95 0.31 116.97 123.74 1i3n h TYR 105 Ca 0.01 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1i3n h TYR 105 Cb 0.27 -0.25 0.01 0.00 1.00 0.00 0.00 36.73 37.76 1i3n h TYR 105 CO 0.01 0.56 -0.45 -0.09 -0.00 0.00 0.00 178.16 178.19 1i3n h ARG 106 N 0.76 -1.21 -0.27 4.88 2.43 -0.73 0.57 114.38 120.80 1i3n h ARG 106 Ca 0.20 0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1i3n h ARG 106 Cb 0.04 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1i3n h ARG 106 CO -0.03 -0.81 -0.03 0.28 -1.51 0.00 0.00 179.97 177.87 1i3n h VAL 107 N -1.26 1.27 0.07 0.20 2.07 -1.04 -0.92 116.25 116.63 1i3n h VAL 107 Ca -0.13 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 1i3n h VAL 107 Cb 0.97 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1i3n h VAL 107 CO 0.21 0.32 -0.48 0.78 0.02 0.00 0.00 177.57 178.42 1i3n h ASN 108 N 0.26 0.30 0.00 0.57 2.35 -0.47 -2.91 115.58 115.69 1i3n h ASN 108 Ca 0.07 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 1i3n h ASN 108 Cb 0.48 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1i3n h ASN 108 CO 0.02 1.20 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.91 1i3n h LEU 109 N -0.54 0.00 -0.96 1.61 3.38 -0.98 -2.76 115.31 115.06 1i3n h LEU 109 Ca -0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1i3n h LEU 109 Cb 1.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1i3n h LEU 109 CO 0.09 0.47 0.63 0.74 0.09 0.00 0.00 178.44 180.46 1i3n h THR 110 N -0.91 1.21 -0.36 0.22 2.02 -0.76 -0.40 112.91 113.93 1i3n h THR 110 Ca 0.00 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1i3n h THR 110 Cb 0.03 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.26 1i3n h THR 110 CO 0.00 0.23 0.22 1.23 0.37 0.00 0.00 175.52 177.57 1i3n h GLY 111 N 1.26 0.52 1.02 2.16 0.00 -0.97 -0.63 103.07 106.43 1i3n h GLY 111 Ca 0.36 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1i3n h GLY 111 CO -0.10 0.21 0.07 -0.84 0.00 0.00 0.00 176.54 175.88 1i3n h THR 112 N 0.47 1.26 -0.51 4.70 2.02 -1.14 -2.07 112.91 117.64 1i3n h THR 112 Ca 0.13 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1i3n h THR 112 Cb -0.00 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1i3n h THR 112 CO -0.02 0.37 0.33 0.40 0.37 0.00 0.00 175.52 176.96 1i3n h ILE 113 N 0.84 1.14 -0.94 3.11 2.04 -0.84 0.86 117.51 123.72 1i3n h ILE 113 Ca 0.17 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1i3n h ILE 113 Cb 0.45 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1i3n h ILE 113 CO 0.02 0.14 0.62 1.56 0.00 0.00 0.00 178.15 180.48 1i3n h GLN 114 N 0.69 1.18 -0.35 2.37 4.20 -1.01 0.08 115.11 122.27 1i3n h GLN 114 Ca 0.19 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1i3n h GLN 114 Cb -0.06 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.44 1i3n h GLN 114 CO -0.04 0.78 0.01 1.25 -0.67 0.00 0.00 178.83 180.17 1i3n h LEU 115 N 1.22 0.60 -1.13 1.46 5.85 -0.68 -2.22 115.31 120.41 1i3n h LEU 115 Ca 0.36 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1i3n h LEU 115 Cb -0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1i3n h LEU 115 CO -0.10 0.75 0.05 -0.07 -0.34 0.00 0.00 178.44 178.74 1i3n h LEU 116 N 0.44 0.62 -0.59 2.25 3.38 -0.15 -0.03 115.31 121.23 1i3n h LEU 116 Ca 0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1i3n h LEU 116 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1i3n h LEU 116 CO 0.02 0.66 0.15 -0.33 0.09 0.00 0.00 178.44 179.03 1i3n h GLU 117 N 0.64 0.93 -0.34 1.13 5.08 -0.74 -0.08 114.58 121.20 1i3n h GLU 117 Ca 0.14 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1i3n h GLU 117 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1i3n h GLU 117 CO 0.01 0.86 -0.38 0.97 -1.00 0.00 0.00 179.01 179.46 1i3n h ILE 118 N 0.84 1.28 -0.37 3.13 6.09 -1.12 0.21 117.51 127.58 1i3n h ILE 118 Ca 0.19 -1.55 0.02 0.00 -1.37 0.00 0.00 64.86 62.15 1i3n h ILE 118 Cb 0.33 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 1i3n h ILE 118 CO 0.00 0.51 0.20 0.24 -3.07 0.00 0.00 178.15 176.03 1i3n h MET 119 N 0.66 0.39 -0.14 2.19 2.86 -0.70 -1.29 114.93 118.90 1i3n h MET 119 Ca 0.06 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1i3n h MET 119 Cb 0.94 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1i3n h MET 119 CO 0.09 0.26 0.04 -0.22 1.06 0.00 0.00 176.91 178.14 1i3n h LYS 120 N 0.41 0.10 -0.93 1.72 3.64 -0.77 0.36 116.57 121.09 1i3n h LYS 120 Ca 0.15 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 1i3n h LYS 120 Cb 0.03 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 1i3n h LYS 120 CO -0.09 0.07 0.59 0.00 -2.27 0.00 0.00 179.45 177.75 1i3n h ALA 121 N 1.10 1.73 -0.35 5.00 0.00 -0.11 -1.91 119.26 124.72 1i3n h ALA 121 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i3n h ALA 121 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i3n h ALA 121 CO -0.07 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.92 1i3n n HIS 122 N -4.59 0.45 -2.14 0.00 8.25 -0.53 -4.95 115.22 111.71 1i3n n HIS 122 Ca 0.18 -0.23 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 1i3n n HIS 122 Cb 0.44 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 1i3n n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3n n GLY 123 N 1.42 0.01 3.25 -1.41 0.00 -0.35 -4.95 105.19 103.16 1i3n n GLY 123 Ca 0.19 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1i3n n GLY 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i3n n VAL 124 N -3.88 4.05 -1.76 1.61 0.31 0.11 -4.92 118.33 113.85 1i3n n VAL 124 Ca -0.14 -5.30 -0.37 0.00 -0.01 0.00 0.00 64.34 58.51 1i3n n VAL 124 Cb 0.59 -2.51 0.03 0.00 -0.91 0.00 0.00 33.84 31.04 1i3n n VAL 124 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1i3n n LYS 125 N 2.51 2.68 -3.67 5.55 5.02 -1.26 -4.49 118.16 124.50 1i3n n LYS 125 Ca 0.23 -3.30 -0.26 0.00 -2.02 0.00 0.00 58.31 52.96 1i3n n LYS 125 Cb 0.38 -2.24 -0.17 0.00 -0.02 0.00 0.00 35.03 32.98 1i3n n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3n s ASN 126 N -0.97 2.49 0.05 4.39 0.01 -1.25 -1.32 114.94 118.34 1i3n s ASN 126 Ca 0.54 -0.65 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 1i3n s ASN 126 Cb 0.44 -0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.69 1i3n s ASN 126 CO -0.33 -0.32 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.57 1i3n s LEU 127 N 2.02 2.22 -0.15 0.60 2.96 -0.68 -1.42 118.68 124.22 1i3n s LEU 127 Ca 0.01 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1i3n s LEU 127 Cb -0.16 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1i3n s LEU 127 CO -0.08 -0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.05 1i3n s VAL 128 N -1.03 1.97 -0.06 1.68 1.01 -0.02 -0.78 120.40 123.16 1i3n s VAL 128 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1i3n s VAL 128 Cb -0.09 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1i3n s VAL 128 CO 0.02 0.53 -0.16 0.12 0.00 0.00 0.00 175.10 175.60 1i3n s PHE 129 N 1.08 2.66 -0.86 5.22 2.19 -0.06 -0.89 117.98 127.32 1i3n s PHE 129 Ca -0.01 -0.31 -0.25 0.00 0.33 0.00 0.00 56.93 56.69 1i3n s PHE 129 Cb -0.14 -1.65 0.04 0.00 -1.31 0.00 0.00 43.02 39.95 1i3n s PHE 129 CO -0.07 0.07 1.38 -1.12 1.83 0.00 0.00 175.22 177.31 1i3n s SER 130 N -0.50 6.25 0.00 6.13 0.01 -1.17 -1.53 113.70 122.90 1i3n s SER 130 Ca 0.06 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1i3n s SER 130 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1i3n s SER 130 CO 0.01 -1.74 0.00 -0.24 0.41 0.00 0.00 173.24 171.69 1i3n n SER 131 N 9.37 0.07 -3.63 2.44 2.88 0.96 -4.97 113.62 120.74 1i3n n SER 131 Ca 0.17 -0.75 -0.14 0.00 -1.33 0.00 0.00 58.87 56.81 1i3n n SER 131 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1i3n n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3n s SER 132 N -0.98 -0.40 0.17 -3.46 0.15 -1.26 -2.56 113.70 105.36 1i3n s SER 132 Ca 0.00 0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.04 1i3n s SER 132 Cb 0.00 0.45 0.72 0.00 -1.71 0.00 0.00 66.02 65.48 1i3n s SER 132 CO 0.00 -0.62 1.46 0.00 1.20 0.00 0.00 173.24 175.28 1i3n n ALA 133 N 0.74 1.28 0.32 5.45 0.00 -0.16 -1.96 120.51 126.17 1i3n n ALA 133 Ca -0.19 0.08 0.20 0.00 0.00 0.00 0.00 53.44 53.52 1i3n n ALA 133 Cb 0.58 -1.23 1.06 0.00 0.00 0.00 0.00 19.45 19.86 1i3n n ALA 133 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i3n h THR 134 N 0.00 0.17 0.00 0.00 2.02 -1.93 -1.80 112.91 111.37 1i3n h THR 134 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1i3n h THR 134 Cb 0.12 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1i3n h THR 134 CO 0.00 0.01 -0.07 -0.37 0.37 0.00 0.00 175.52 175.46 1i3n h VAL 135 N 0.00 0.50 0.00 3.16 -1.51 -1.67 -1.66 116.25 115.07 1i3n h VAL 135 Ca -0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1i3n h VAL 135 Cb 0.08 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1i3n h VAL 135 CO 0.00 0.07 0.00 1.88 -1.23 0.00 0.00 177.57 178.29 1i3n h TYR 136 N 0.00 0.00 -0.38 5.19 -1.99 -1.55 -1.02 116.97 117.23 1i3n h TYR 136 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i3n h TYR 136 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1i3n h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3n n GLY 137 N 0.48 -0.20 3.64 3.88 0.00 -0.62 -4.60 105.19 107.76 1i3n n GLY 137 Ca 0.03 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1i3n n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3n s ASN 138 N -4.00 6.40 0.16 1.61 3.04 -1.26 -4.89 114.94 116.00 1i3n s ASN 138 Ca 0.00 2.11 -0.34 0.00 0.04 0.00 0.00 52.86 54.67 1i3n s ASN 138 Cb 0.00 -2.53 -0.15 0.00 -1.54 0.00 0.00 41.25 37.03 1i3n s ASN 138 CO 0.00 -1.17 1.44 -2.65 -3.04 0.00 0.00 177.10 171.68 1i3n n PRO 139 N 7.56 1.79 0.05 0.43 -0.02 -1.26 -4.86 135.00 138.68 1i3n n PRO 139 Ca 0.20 0.64 0.03 0.00 -2.02 0.00 0.00 63.50 62.35 1i3n n PRO 139 Cb 0.43 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1i3n n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i3n n GLN 140 N 2.72 0.62 -3.43 -0.52 6.02 -1.26 -4.96 117.38 116.57 1i3n n GLN 140 Ca 0.16 0.17 -0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1i3n n GLN 140 Cb 0.27 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1i3n n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1i3n s TYR 141 N -3.06 -0.54 0.01 1.08 1.13 -1.26 -5.18 117.35 109.53 1i3n s TYR 141 Ca -0.03 0.36 0.02 0.00 -1.41 0.00 0.00 57.07 56.01 1i3n s TYR 141 Cb 0.09 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.49 1i3n s TYR 141 CO 0.81 -0.84 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.45 1i3n s LEU 142 N -2.69 2.09 0.79 -3.49 1.43 -1.26 -4.28 118.68 111.28 1i3n s LEU 142 Ca 0.01 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1i3n s LEU 142 Cb -0.01 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.08 1i3n s LEU 142 CO -0.12 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 1i3n s PRO 143 N -0.61 2.16 -0.24 1.29 0.04 -1.26 -5.11 135.00 131.27 1i3n s PRO 143 Ca -0.03 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.61 1i3n s PRO 143 Cb -0.05 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1i3n s PRO 143 CO -0.00 -1.62 0.88 -0.51 0.04 0.00 0.00 177.00 175.78 1i3n s LEU 144 N -5.84 4.08 0.37 -3.56 1.43 -0.28 -4.68 118.68 110.22 1i3n s LEU 144 Ca 0.61 1.09 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1i3n s LEU 144 Cb -0.16 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1i3n s LEU 144 CO 0.55 -0.56 0.42 1.51 0.23 0.00 0.00 176.35 178.50 1i3n s ASP 145 N 1.33 5.48 0.55 2.29 -4.77 -1.26 -0.65 116.67 119.64 1i3n s ASP 145 Ca 0.37 -0.46 0.26 0.00 -3.30 0.00 0.00 52.55 49.42 1i3n s ASP 145 Cb -0.15 -0.86 1.59 0.00 -1.09 0.00 0.00 42.92 42.41 1i3n s ASP 145 CO 0.07 -0.54 2.17 -0.33 0.70 0.00 0.00 175.17 177.24 1i3n h GLU 146 N 0.97 0.00 0.00 2.11 3.07 -1.94 -1.48 114.58 117.30 1i3n h GLU 146 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1i3n h GLU 146 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1i3n h GLU 146 CO 0.54 0.05 0.00 0.00 -1.40 0.00 0.00 179.01 178.20 1i3n n ALA 147 N -2.35 2.12 -1.75 3.43 0.00 -1.26 -4.84 120.51 115.86 1i3n n ALA 147 Ca -0.03 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1i3n n ALA 147 Cb 0.14 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.25 1i3n n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1i3n s HIS 148 N -2.82 2.36 0.57 0.00 5.04 -0.56 -4.92 115.29 114.96 1i3n s HIS 148 Ca 0.16 1.51 -0.20 0.00 -1.54 0.00 0.00 55.06 54.98 1i3n s HIS 148 Cb 0.15 -3.52 -0.05 0.00 0.04 0.00 0.00 32.58 29.21 1i3n s HIS 148 CO 0.40 -2.31 1.19 -2.30 -2.34 0.00 0.00 174.74 169.38 1i3n n PRO 149 N -1.57 1.30 -4.27 2.88 -0.02 -1.26 -4.99 135.00 127.07 1i3n n PRO 149 Ca 0.14 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 1i3n n PRO 149 Cb 0.49 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 1i3n n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3n s THR 150 N -1.37 1.44 0.00 3.45 -4.23 -1.26 -4.49 115.64 109.18 1i3n s THR 150 Ca 0.74 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1i3n s THR 150 Cb -0.42 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1i3n s THR 150 CO 0.47 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1i3n n GLY 151 N 0.35 1.04 2.84 3.99 0.00 -0.39 -4.97 105.19 108.05 1i3n n GLY 151 Ca -0.14 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 1i3n n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3n n GLY 152 N 0.59 -0.13 3.79 -0.02 0.00 -1.26 -4.55 105.19 103.60 1i3n n GLY 152 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1i3n n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n h THR 154 N -0.40 0.00 -1.57 0.00 2.02 -1.92 -3.45 112.91 107.59 1i3n h THR 154 Ca -0.45 -0.03 -0.62 0.00 0.77 0.00 0.00 66.41 66.08 1i3n h THR 154 Cb 1.23 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.51 1i3n h THR 154 CO 0.55 0.00 -0.58 0.20 0.37 0.00 0.00 175.52 176.05 1i3n s ASN 155 N -3.48 3.75 0.50 4.18 0.01 -1.26 -4.96 114.94 113.68 1i3n s ASN 155 Ca -0.14 -1.43 0.31 0.00 -0.71 0.00 0.00 52.86 50.89 1i3n s ASN 155 Cb 0.01 -0.19 1.42 0.00 0.41 0.00 0.00 41.25 42.90 1i3n s ASN 155 CO 0.41 -0.55 1.82 -0.65 -1.51 0.00 0.00 177.10 176.63 1i3n h PRO 156 N 1.73 0.10 0.09 -0.60 0.11 -1.91 1.18 132.00 132.70 1i3n h PRO 156 Ca -0.43 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i3n h PRO 156 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1i3n h PRO 156 CO 0.78 0.07 -0.04 -0.92 -0.21 0.00 0.00 178.00 177.68 1i3n h TYR 157 N 0.11 -0.11 -0.29 0.65 5.03 -1.95 -1.50 116.97 118.92 1i3n h TYR 157 Ca 0.53 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.78 1i3n h TYR 157 Cb 1.91 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 40.21 1i3n h TYR 157 CO -0.00 0.42 -0.11 0.78 -1.32 0.00 0.00 178.16 177.93 1i3n h GLY 158 N -0.77 0.51 0.91 1.82 0.00 -1.10 -1.99 103.07 102.44 1i3n h GLY 158 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1i3n h GLY 158 CO 0.02 0.32 0.09 0.50 0.00 0.00 0.00 176.54 177.46 1i3n h LYS 159 N 0.44 0.52 -0.77 4.80 1.57 0.12 -1.86 116.57 121.40 1i3n h LYS 159 Ca 0.08 -0.12 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1i3n h LYS 159 Cb 0.46 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 1i3n h LYS 159 CO 0.03 0.57 0.40 0.66 -0.57 0.00 0.00 179.45 180.54 1i3n h SER 160 N 0.37 0.52 -0.49 0.86 4.64 -0.69 0.25 113.55 119.01 1i3n h SER 160 Ca 0.10 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1i3n h SER 160 Cb 0.28 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1i3n h SER 160 CO -0.00 0.28 0.19 0.11 -0.87 0.00 0.00 176.83 176.54 1i3n h LYS 161 N 0.65 0.73 -0.40 4.77 1.79 -0.77 -0.51 116.57 122.83 1i3n h LYS 161 Ca 0.39 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1i3n h LYS 161 Cb 0.43 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1i3n h LYS 161 CO -0.29 0.65 0.06 0.35 -1.08 0.00 0.00 179.45 179.15 1i3n h PHE 162 N 0.65 0.70 -0.48 -1.35 3.57 -0.66 -1.51 116.94 117.85 1i3n h PHE 162 Ca 0.16 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1i3n h PHE 162 Cb 0.20 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1i3n h PHE 162 CO 0.00 0.69 0.27 0.74 -2.23 0.00 0.00 178.31 177.78 1i3n h PHE 163 N 0.50 0.50 -0.71 0.41 0.04 -0.34 -1.24 116.94 116.10 1i3n h PHE 163 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1i3n h PHE 163 Cb 0.37 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1i3n h PHE 163 CO 0.02 0.27 0.39 0.82 -0.60 0.00 0.00 178.31 179.22 1i3n h ILE 164 N 0.54 1.22 -0.69 -0.55 2.04 -0.91 -0.53 117.51 118.62 1i3n h ILE 164 Ca 0.20 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1i3n h ILE 164 Cb 0.06 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1i3n h ILE 164 CO -0.11 0.24 0.43 -0.33 0.00 0.00 0.00 178.15 178.38 1i3n h GLU 165 N 0.98 0.82 -0.60 2.37 5.08 -0.70 -0.88 114.58 121.64 1i3n h GLU 165 Ca 0.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1i3n h GLU 165 Cb 0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1i3n h GLU 165 CO -0.04 0.54 0.30 0.93 -1.00 0.00 0.00 179.01 179.74 1i3n h GLU 166 N 0.84 0.86 -0.77 2.33 4.39 -0.84 0.26 114.58 121.65 1i3n h GLU 166 Ca 0.28 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1i3n h GLU 166 Cb 0.03 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1i3n h GLU 166 CO -0.11 0.68 0.32 0.52 -1.16 0.00 0.00 179.01 179.26 1i3n h MET 167 N 0.82 1.14 -0.67 2.33 2.86 -0.66 -1.25 114.93 119.50 1i3n h MET 167 Ca 0.21 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1i3n h MET 167 Cb 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1i3n h MET 167 CO -0.03 0.92 0.10 0.82 1.06 0.00 0.00 176.91 179.78 1i3n h ILE 168 N 1.10 1.26 -0.59 -1.22 2.04 -0.81 -0.52 117.51 118.78 1i3n h ILE 168 Ca 0.26 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1i3n h ILE 168 Cb 0.19 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1i3n h ILE 168 CO -0.02 0.39 0.37 0.03 0.00 0.00 0.00 178.15 178.91 1i3n h ARG 169 N 1.04 0.70 -0.68 2.37 3.08 -0.52 -0.07 114.38 120.30 1i3n h ARG 169 Ca 0.20 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1i3n h ARG 169 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1i3n h ARG 169 CO 0.01 0.47 0.32 -0.44 -1.07 0.00 0.00 179.97 179.26 1i3n h ASP 170 N 0.73 0.90 -0.43 7.04 3.45 -0.79 -1.06 116.42 126.26 1i3n h ASP 170 Ca 0.23 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.56 1i3n h ASP 170 Cb 0.00 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 1i3n h ASP 170 CO -0.09 0.79 0.28 0.25 -1.57 0.00 0.00 179.24 178.90 1i3n h LEU 171 N 0.95 0.48 -1.24 1.55 5.85 -0.49 -0.71 115.31 121.71 1i3n h LEU 171 Ca 0.23 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1i3n h LEU 171 Cb 0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1i3n h LEU 171 CO -0.03 0.35 -0.22 0.00 -0.34 0.00 0.00 178.44 178.20 1i3n h GLN 173 N 0.23 0.57 -0.08 0.00 1.08 -0.68 -3.21 115.11 113.02 1i3n h GLN 173 Ca 0.04 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 1i3n h GLN 173 Cb 0.52 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1i3n h GLN 173 CO 0.04 0.74 -0.47 0.00 -0.95 0.00 0.00 178.83 178.19 1i3n h ALA 174 N 0.81 1.07 -3.09 3.87 0.00 -0.75 -3.40 119.26 117.76 1i3n h ALA 174 Ca 0.08 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 1i3n h ALA 174 Cb 0.52 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.82 1i3n h ALA 174 CO 0.02 0.62 -0.76 0.34 0.00 0.00 0.00 179.25 179.48 1i3n s ASP 175 N -6.88 3.68 0.06 0.00 3.68 -0.59 -4.99 116.67 111.63 1i3n s ASP 175 Ca -0.04 -1.38 0.08 0.00 2.13 0.00 0.00 52.55 53.33 1i3n s ASP 175 Cb 0.13 -0.68 0.36 0.00 -1.45 0.00 0.00 42.92 41.27 1i3n s ASP 175 CO 0.77 -0.40 1.24 2.29 0.13 0.00 0.00 175.17 179.20 1i3n n LYS 176 N 4.99 0.03 0.20 4.34 0.00 -1.24 -1.85 118.16 124.63 1i3n n LYS 176 Ca -0.04 0.46 0.09 0.00 -0.00 0.00 0.00 58.31 58.81 1i3n n LYS 176 Cb 0.43 -1.58 0.23 0.00 -0.00 0.00 0.00 35.03 34.10 1i3n n LYS 176 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1i3n h THR 177 N 0.00 0.36 -4.05 0.58 1.35 -1.94 -3.46 112.91 105.76 1i3n h THR 177 Ca 0.00 -1.36 -0.49 0.00 -0.55 0.00 0.00 66.41 64.02 1i3n h THR 177 Cb 0.08 2.05 0.04 0.00 -1.73 0.00 0.00 68.15 68.59 1i3n h THR 177 CO 0.00 0.19 0.42 0.26 -0.25 0.00 0.00 175.52 176.14 1i3n s TRP 178 N -3.25 2.93 -0.04 4.73 0.52 -0.77 -4.92 118.94 118.14 1i3n s TRP 178 Ca 0.04 1.57 0.02 0.00 0.02 0.00 0.00 56.10 57.75 1i3n s TRP 178 Cb 0.07 -3.19 0.01 0.00 -1.15 0.00 0.00 33.47 29.21 1i3n s TRP 178 CO 0.68 -1.12 -0.08 -0.80 0.02 0.00 0.00 176.95 175.65 1i3n s ASN 179 N -1.75 1.26 -0.07 2.95 0.01 -0.44 -4.01 114.94 112.89 1i3n s ASN 179 Ca 0.67 -0.20 -0.05 0.00 -0.71 0.00 0.00 52.86 52.57 1i3n s ASN 179 Cb -0.21 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 40.96 1i3n s ASN 179 CO 0.26 0.01 0.17 0.68 -1.51 0.00 0.00 177.10 176.70 1i3n s VAL 180 N 0.59 -0.02 -0.24 1.60 -7.23 0.05 -1.69 120.40 113.46 1i3n s VAL 180 Ca -0.10 0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1i3n s VAL 180 Cb -0.13 -0.25 0.03 0.00 0.56 0.00 0.00 36.38 36.59 1i3n s VAL 180 CO 0.01 0.03 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.07 1i3n s VAL 181 N 0.52 2.80 -0.34 1.32 1.01 0.04 -0.93 120.40 124.82 1i3n s VAL 181 Ca -0.04 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 1i3n s VAL 181 Cb -0.05 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1i3n s VAL 181 CO -0.03 0.21 0.29 -0.76 0.00 0.00 0.00 175.10 174.82 1i3n s LEU 182 N 1.31 4.46 -0.35 3.92 1.43 0.27 -0.88 118.68 128.84 1i3n s LEU 182 Ca 0.00 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1i3n s LEU 182 Cb -0.17 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1i3n s LEU 182 CO -0.05 -0.27 0.20 -0.76 0.23 0.00 0.00 176.35 175.71 1i3n s LEU 183 N 1.85 4.49 -0.72 1.79 1.43 -0.58 -0.95 118.68 126.00 1i3n s LEU 183 Ca 0.09 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1i3n s LEU 183 Cb -0.17 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.09 1i3n s LEU 183 CO 0.11 -0.29 0.93 -0.13 0.23 0.00 0.00 176.35 177.20 1i3n s ARG 184 N 1.63 3.23 0.46 1.70 0.52 0.29 -0.03 118.95 126.75 1i3n s ARG 184 Ca 0.04 -1.25 -0.22 0.00 -0.52 0.00 0.00 55.73 53.78 1i3n s ARG 184 Cb -0.18 -4.42 -0.08 0.00 0.52 0.00 0.00 34.95 30.79 1i3n s ARG 184 CO 0.08 -1.72 1.10 0.71 0.02 0.00 0.00 175.30 175.49 1i3n s TYR 185 N 3.23 2.98 0.00 -0.53 2.02 -1.06 -1.13 117.35 122.86 1i3n s TYR 185 Ca 0.22 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 1i3n s TYR 185 Cb -0.16 -3.22 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 1i3n s TYR 185 CO 0.03 -1.11 0.00 1.19 -1.57 0.00 0.00 175.55 174.10 1i3n n PHE 186 N -0.61 0.00 -3.74 2.71 3.72 -0.82 -0.99 117.46 117.72 1i3n n PHE 186 Ca 0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 1i3n n PHE 186 Cb 0.50 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.94 1i3n n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3n s ASN 187 N -1.00 5.19 0.24 4.37 -0.87 -0.53 -4.76 114.94 117.58 1i3n s ASN 187 Ca 0.00 -2.71 -0.31 0.00 -1.57 0.00 0.00 52.86 48.27 1i3n s ASN 187 Cb 0.00 -1.84 -0.11 0.00 -0.02 0.00 0.00 41.25 39.28 1i3n s ASN 187 CO 0.00 -0.39 1.64 -2.84 -2.57 0.00 0.00 177.10 172.93 1i3n s PRO 188 N 0.14 4.14 0.33 -0.60 0.02 -1.26 -0.48 135.00 137.29 1i3n s PRO 188 Ca 0.15 2.56 -0.07 0.00 0.02 0.00 0.00 61.00 63.66 1i3n s PRO 188 Cb -0.21 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.26 1i3n s PRO 188 CO -0.03 -0.67 0.52 -0.08 -0.33 0.00 0.00 177.00 176.40 1i3n s THR 189 N 0.58 0.00 0.00 0.99 -1.32 0.57 -4.84 115.64 111.62 1i3n s THR 189 Ca 0.68 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1i3n s THR 189 Cb -0.48 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1i3n s THR 189 CO 0.40 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1i3n n GLY 190 N -0.52 -1.90 3.59 6.08 0.00 -1.26 0.12 105.19 111.30 1i3n n GLY 190 Ca -0.01 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 1i3n n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ALA 191 N -1.40 -1.80 0.38 4.61 0.00 -1.26 -4.58 121.76 117.70 1i3n s ALA 191 Ca 0.00 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1i3n s ALA 191 Cb 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 23.12 23.46 1i3n s ALA 191 CO 0.00 -0.81 1.17 1.58 0.00 0.00 0.00 175.76 177.70 1i3n n HIS 192 N -0.32 1.79 0.23 0.00 -0.00 -1.25 -4.78 115.22 110.89 1i3n n HIS 192 Ca -0.07 0.56 0.18 0.00 0.46 0.00 0.00 57.72 58.85 1i3n n HIS 192 Cb 0.61 -2.33 0.84 0.00 -0.12 0.00 0.00 29.99 29.00 1i3n n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3n h ALA 193 N 2.06 1.68 -0.06 1.57 0.00 -1.93 -1.46 119.26 121.11 1i3n h ALA 193 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1i3n h ALA 193 Cb 1.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1i3n h ALA 193 CO 0.60 -0.37 -0.22 0.66 0.00 0.00 0.00 179.25 179.91 1i3n h SER 194 N 0.00 0.10 0.00 0.00 4.64 -1.94 -3.46 113.55 112.88 1i3n h SER 194 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1i3n h SER 194 Cb 0.65 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1i3n h SER 194 CO -0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1i3n n GLY 195 N -0.78 0.86 0.16 -0.77 0.00 -0.55 -4.92 105.19 99.19 1i3n n GLY 195 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1i3n n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ILE 197 N -3.04 0.82 -1.06 0.00 -4.36 -1.26 -5.02 121.20 107.28 1i3n s ILE 197 Ca 0.04 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1i3n s ILE 197 Cb 0.07 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 42.19 1i3n s ILE 197 CO 0.73 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1i3n n GLY 198 N 0.13 -1.37 3.73 6.27 0.00 -1.26 -3.88 105.19 108.81 1i3n n GLY 198 Ca -0.13 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1i3n n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3n s GLU 199 N -1.16 4.29 -0.59 1.61 2.12 -1.26 -4.87 118.70 118.84 1i3n s GLU 199 Ca 0.00 2.20 0.06 0.00 0.36 0.00 0.00 54.97 57.60 1i3n s GLU 199 Cb 0.00 -3.18 0.27 0.00 0.26 0.00 0.00 34.13 31.48 1i3n s GLU 199 CO 0.00 -0.44 0.76 -3.47 -0.54 0.00 0.00 175.26 171.57 1i3n n ASP 200 N 3.31 3.38 -4.76 -1.70 2.03 -1.26 -4.99 116.55 112.57 1i3n n ASP 200 Ca 0.10 -3.39 -0.38 0.00 0.52 0.00 0.00 54.79 51.64 1i3n n ASP 200 Cb 0.41 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1i3n n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3n s PRO 201 N -2.54 3.39 -0.16 -0.67 0.04 -1.26 -4.98 135.00 128.82 1i3n s PRO 201 Ca 0.41 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 1i3n s PRO 201 Cb 0.19 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1i3n s PRO 201 CO -0.05 -0.94 0.07 -0.65 0.04 0.00 0.00 177.00 175.47 1i3n s GLN 202 N -2.82 3.78 1.77 4.56 -1.52 -1.26 -4.99 119.66 119.18 1i3n s GLN 202 Ca 0.68 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.79 1i3n s GLN 202 Cb -0.36 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1i3n s GLN 202 CO 0.43 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.29 1i3n n GLY 203 N 3.10 -1.42 3.67 3.09 0.00 -1.26 -4.71 105.19 107.65 1i3n n GLY 203 Ca -0.17 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1i3n n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3n s ILE 204 N 0.00 3.52 0.34 -0.61 1.01 -1.26 -4.95 121.20 119.25 1i3n s ILE 204 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 60.65 61.10 1i3n s ILE 204 Cb 0.00 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 1i3n s ILE 204 CO 0.00 -0.05 1.23 -2.84 0.00 0.00 0.00 174.94 173.28 1i3n s PRO 205 N 3.62 4.34 0.06 2.79 0.02 -1.26 -4.94 135.00 139.62 1i3n s PRO 205 Ca 0.72 2.04 0.12 0.00 0.02 0.00 0.00 61.00 63.89 1i3n s PRO 205 Cb -0.34 -3.00 -0.18 0.00 0.02 0.00 0.00 34.50 31.00 1i3n s PRO 205 CO 0.29 -0.13 0.98 -0.91 -0.33 0.00 0.00 177.00 176.90 1i3n h ASN 206 N 3.30 0.00 -3.77 2.53 2.35 -1.92 -3.45 115.58 114.62 1i3n h ASN 206 Ca -0.48 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 54.78 1i3n h ASN 206 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1i3n h ASN 206 CO 0.65 0.89 0.13 0.54 -1.65 0.00 0.00 177.43 177.99 1i3n s ASN 207 N -6.29 6.75 0.06 5.81 4.22 -1.26 -5.04 114.94 119.19 1i3n s ASN 207 Ca -0.02 1.31 -0.37 0.00 -2.14 0.00 0.00 52.86 51.64 1i3n s ASN 207 Cb 0.09 -2.39 -0.21 0.00 1.28 0.00 0.00 41.25 40.02 1i3n s ASN 207 CO 0.81 -0.25 1.56 0.25 -2.04 0.00 0.00 177.10 177.43 1i3n h LEU 208 N 2.06 -1.12 -0.43 3.54 5.85 -2.00 -3.11 115.31 120.11 1i3n h LEU 208 Ca -0.48 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1i3n h LEU 208 Cb 1.18 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 1i3n h LEU 208 CO 0.65 -0.80 -0.22 0.24 -0.34 0.00 0.00 178.44 177.97 1i3n h MET 209 N -1.33 -0.13 -0.37 1.25 2.86 -1.96 0.13 114.93 115.38 1i3n h MET 209 Ca -0.13 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1i3n h MET 209 Cb 1.01 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1i3n h MET 209 CO 0.22 -0.09 0.05 -1.35 1.06 0.00 0.00 176.91 176.80 1i3n h PRO 210 N -0.14 0.55 -0.26 -0.22 0.10 -1.98 0.79 132.00 130.84 1i3n h PRO 210 Ca 0.20 -0.10 -0.03 0.00 0.10 0.00 0.00 66.00 66.18 1i3n h PRO 210 Cb 0.46 -0.09 -0.01 0.00 0.10 0.00 0.00 31.00 31.46 1i3n h PRO 210 CO -0.52 0.54 0.06 -0.92 0.10 0.00 0.00 178.00 177.27 1i3n h TYR 211 N 0.54 0.44 -0.04 0.65 3.20 -1.07 -0.55 116.97 120.13 1i3n h TYR 211 Ca 0.12 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1i3n h TYR 211 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1i3n h TYR 211 CO 0.01 0.50 -0.09 0.28 -1.64 0.00 0.00 178.16 177.22 1i3n h VAL 212 N 0.25 0.77 -0.59 1.81 2.07 -0.21 -0.99 116.25 119.36 1i3n h VAL 212 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1i3n h VAL 212 Cb 0.28 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1i3n h VAL 212 CO 0.00 0.00 0.39 0.77 0.02 0.00 0.00 177.57 178.75 1i3n h SER 213 N -0.13 0.68 0.41 0.57 4.64 -0.70 -1.15 113.55 117.87 1i3n h SER 213 Ca 0.05 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1i3n h SER 213 Cb 0.20 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1i3n h SER 213 CO -0.12 0.49 -0.41 1.56 -0.87 0.00 0.00 176.83 177.48 1i3n h GLN 214 N 0.80 0.00 -0.12 4.77 4.20 -0.42 -1.00 115.11 123.34 1i3n h GLN 214 Ca 0.22 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 1i3n h GLN 214 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1i3n h GLN 214 CO -0.05 0.41 -0.45 0.28 -0.67 0.00 0.00 178.83 178.36 1i3n h VAL 215 N 0.00 1.36 -0.80 -0.54 2.07 -0.06 0.26 116.25 118.55 1i3n h VAL 215 Ca -0.00 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.78 1i3n h VAL 215 Cb 0.73 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 1i3n h VAL 215 CO 0.05 0.53 0.52 0.00 0.02 0.00 0.00 177.57 178.69 1i3n h ALA 216 N 0.50 1.02 0.00 1.67 0.00 -0.93 -1.71 119.26 119.82 1i3n h ALA 216 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i3n h ALA 216 Cb 1.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i3n h ALA 216 CO 0.09 0.39 0.00 0.97 0.00 0.00 0.00 179.25 180.70 1i3n h ILE 217 N 1.05 0.00 0.00 0.00 2.10 -1.20 -3.46 117.51 116.00 1i3n h ILE 217 Ca 0.30 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1i3n h ILE 217 Cb -0.08 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1i3n h ILE 217 CO -0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.60 1i3n n GLY 218 N 0.34 0.84 0.13 8.18 0.00 -0.64 -4.98 105.19 109.06 1i3n n GLY 218 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 1i3n n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3n h ARG 219 N 4.05 0.00 -6.48 1.61 2.43 -0.70 -3.44 114.38 111.84 1i3n h ARG 219 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 1i3n h ARG 219 Cb 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.28 1i3n h ARG 219 CO 0.00 0.63 -0.87 1.03 -1.51 0.00 0.00 179.97 179.25 1i3n s ARG 220 N -3.33 1.71 0.05 0.20 1.81 -0.77 -4.96 118.95 113.65 1i3n s ARG 220 Ca 0.00 -1.01 -0.26 0.00 -1.72 0.00 0.00 55.73 52.74 1i3n s ARG 220 Cb 0.11 -1.82 -0.17 0.00 -0.45 0.00 0.00 34.95 32.62 1i3n s ARG 220 CO 0.75 0.48 1.51 0.93 -0.68 0.00 0.00 175.30 178.29 1i3n h GLU 221 N 4.95 -0.23 -2.63 3.54 4.39 -1.90 -3.39 114.58 119.32 1i3n h GLU 221 Ca -0.44 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.22 1i3n h GLU 221 Cb 1.14 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 29.69 1i3n h GLU 221 CO 0.44 -0.01 0.13 0.00 -1.16 0.00 0.00 179.01 178.41 1i3n s ALA 222 N -5.45 -1.52 0.12 3.43 0.00 -1.26 -4.60 121.76 112.48 1i3n s ALA 222 Ca -0.15 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 1i3n s ALA 222 Cb 0.04 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 1i3n s ALA 222 CO 0.63 -0.54 0.96 -1.17 0.00 0.00 0.00 175.76 175.63 1i3n s LEU 223 N -1.98 4.51 -0.27 0.00 2.96 -0.43 -4.89 118.68 118.58 1i3n s LEU 223 Ca -0.05 1.80 -0.16 0.00 -0.22 0.00 0.00 54.13 55.50 1i3n s LEU 223 Cb -0.01 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1i3n s LEU 223 CO -0.02 -0.04 0.43 0.20 -1.32 0.00 0.00 176.35 175.60 1i3n s ASN 224 N -0.12 6.32 -0.36 3.68 0.02 -1.26 -0.30 114.94 122.92 1i3n s ASN 224 Ca 0.46 0.38 -0.19 0.00 -1.02 0.00 0.00 52.86 52.49 1i3n s ASN 224 Cb -0.24 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 38.80 1i3n s ASN 224 CO 0.30 -0.23 0.57 -0.69 0.02 0.00 0.00 177.10 177.07 1i3n s VAL 225 N 2.17 4.95 -1.25 1.60 1.01 0.11 -4.93 120.40 124.06 1i3n s VAL 225 Ca 0.17 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1i3n s VAL 225 Cb -0.16 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1i3n s VAL 225 CO 0.10 -0.29 1.85 0.49 0.00 0.00 0.00 175.10 177.24 1i3n n PHE 226 N 5.90 3.83 0.00 5.22 0.99 -1.26 0.09 117.46 132.23 1i3n n PHE 226 Ca -0.03 -2.36 0.00 0.00 -0.00 0.00 0.00 57.45 55.06 1i3n n PHE 226 Cb 0.49 -2.59 0.00 0.00 -1.00 0.00 0.00 39.48 36.38 1i3n n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3n n GLY 227 N 5.39 -1.73 0.57 1.37 0.00 0.01 -4.31 105.19 106.49 1i3n n GLY 227 Ca 0.48 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 45.15 1i3n n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3n n ASN 228 N -1.11 0.59 -0.72 1.61 6.94 -1.24 -4.44 115.26 116.89 1i3n n ASN 228 Ca 0.00 -2.25 0.04 0.00 -0.02 0.00 0.00 54.58 52.35 1i3n n ASN 228 Cb 0.00 -0.26 0.20 0.00 -2.36 0.00 0.00 39.78 37.36 1i3n n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3n n ASP 229 N -0.21 2.47 -4.90 0.53 3.85 -0.81 -4.33 116.55 113.16 1i3n n ASP 229 Ca 0.04 -3.53 -0.28 0.00 -0.71 0.00 0.00 54.79 50.31 1i3n n ASP 229 Cb 0.75 -0.55 0.05 0.00 -1.35 0.00 0.00 41.12 40.03 1i3n n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3n s TYR 230 N -3.09 3.17 -1.28 2.11 2.02 0.29 -4.92 117.35 115.64 1i3n s TYR 230 Ca 0.40 0.79 -0.08 0.00 -0.37 0.00 0.00 57.07 57.81 1i3n s TYR 230 Cb 0.36 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1i3n s TYR 230 CO 0.00 -1.24 2.87 -0.25 -1.57 0.00 0.00 175.55 175.36 1i3n n ASP 231 N -2.95 8.03 -4.53 2.29 8.00 -1.26 -4.01 116.55 122.12 1i3n n ASP 231 Ca 0.07 -2.76 -0.26 0.00 0.71 0.00 0.00 54.79 52.55 1i3n n ASP 231 Cb 0.59 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.11 1i3n n ASP 231 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1i3n s THR 232 N 0.83 2.19 0.27 -3.53 -4.23 -1.26 -4.99 115.64 104.92 1i3n s THR 232 Ca 0.64 -2.20 -0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1i3n s THR 232 Cb 0.21 -2.62 0.25 0.00 1.34 0.00 0.00 72.50 71.68 1i3n s THR 232 CO -0.07 -0.21 1.73 1.05 -0.54 0.00 0.00 174.62 176.58 1i3n h GLU 233 N 2.05 0.49 -0.26 3.99 -0.00 -1.88 -2.11 114.58 116.86 1i3n h GLU 233 Ca -0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1i3n h GLU 233 Cb 1.25 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1i3n h GLU 233 CO 0.70 0.32 0.00 -0.40 -0.00 0.00 0.00 179.01 179.63 1i3n n ASP 234 N -4.96 2.72 0.00 3.06 3.85 -1.26 -4.97 116.55 114.99 1i3n n ASP 234 Ca 0.18 -1.83 0.00 0.00 -0.71 0.00 0.00 54.79 52.43 1i3n n ASP 234 Cb 0.50 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 1i3n n ASP 234 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i3n n GLY 235 N 0.72 2.74 3.95 6.12 0.00 -0.80 -4.89 105.19 113.03 1i3n n GLY 235 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1i3n n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3n s THR 236 N -2.11 5.24 0.39 2.61 -4.23 -1.26 -0.55 115.64 115.73 1i3n s THR 236 Ca 0.00 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.50 1i3n s THR 236 Cb 0.00 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.91 1i3n s THR 236 CO 0.00 -0.30 1.32 0.61 -0.54 0.00 0.00 174.62 175.70 1i3n n GLY 237 N -1.20 0.67 3.36 3.99 0.00 -1.26 -4.64 105.19 106.11 1i3n n GLY 237 Ca -0.07 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1i3n n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3n s VAL 238 N -1.16 2.71 0.05 1.61 1.01 -0.40 -1.87 120.40 122.35 1i3n s VAL 238 Ca 0.58 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1i3n s VAL 238 Cb -0.52 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1i3n s VAL 238 CO 0.60 0.56 -0.03 -0.13 0.00 0.00 0.00 175.10 176.10 1i3n s ARG 239 N -0.07 0.60 -0.78 2.72 1.81 -0.51 -1.29 118.95 121.44 1i3n s ARG 239 Ca -0.04 -1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 52.59 1i3n s ARG 239 Cb -0.14 0.19 0.14 0.00 -0.45 0.00 0.00 34.95 34.69 1i3n s ARG 239 CO 0.04 -0.10 0.90 0.34 -0.68 0.00 0.00 175.30 175.79 1i3n s ASP 240 N -2.86 6.48 -0.02 0.23 3.68 -0.87 -0.50 116.67 122.80 1i3n s ASP 240 Ca 0.06 -1.91 -0.30 0.00 2.13 0.00 0.00 52.55 52.54 1i3n s ASP 240 Cb 0.07 -2.33 -0.03 0.00 -1.45 0.00 0.00 42.92 39.19 1i3n s ASP 240 CO -0.09 -1.00 1.03 -0.31 0.13 0.00 0.00 175.17 174.93 1i3n s TYR 241 N 2.24 3.56 -0.06 -5.34 1.51 -1.26 -1.45 117.35 116.54 1i3n s TYR 241 Ca 0.22 1.58 0.04 0.00 -1.01 0.00 0.00 57.07 57.89 1i3n s TYR 241 Cb -0.13 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 1i3n s TYR 241 CO -0.03 -0.34 -0.18 -1.50 -1.11 0.00 0.00 175.55 172.39 1i3n s ILE 242 N 1.36 1.53 0.14 2.71 2.07 0.36 -4.62 121.20 124.74 1i3n s ILE 242 Ca 0.52 -0.74 -0.31 0.00 -1.41 0.00 0.00 60.65 58.71 1i3n s ILE 242 Cb -0.22 -1.33 -0.09 0.00 0.13 0.00 0.00 42.46 40.95 1i3n s ILE 242 CO 0.25 0.44 1.54 -2.28 -1.91 0.00 0.00 174.94 172.98 1i3n s HIS 243 N 0.29 2.99 0.56 3.50 5.65 -1.26 -0.31 115.29 126.71 1i3n s HIS 243 Ca -0.11 0.65 0.26 0.00 0.25 0.00 0.00 55.06 56.11 1i3n s HIS 243 Cb -0.15 -3.88 1.51 0.00 -1.18 0.00 0.00 32.58 28.88 1i3n s HIS 243 CO 0.04 -3.26 2.05 -0.24 -0.65 0.00 0.00 174.74 172.69 1i3n h VAL 244 N 4.21 0.62 -0.37 0.89 3.04 -0.61 -0.79 116.25 123.23 1i3n h VAL 244 Ca -0.42 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.14 1i3n h VAL 244 Cb 1.20 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1i3n h VAL 244 CO 0.91 0.00 -0.25 0.58 -1.01 0.00 0.00 177.57 177.80 1i3n h VAL 245 N 0.00 1.28 -0.34 1.51 2.07 -1.88 -0.68 116.25 118.22 1i3n h VAL 245 Ca 0.14 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1i3n h VAL 245 Cb 0.67 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1i3n h VAL 245 CO -0.00 0.46 0.03 0.44 0.02 0.00 0.00 177.57 178.52 1i3n h ASP 246 N 0.61 0.55 -0.42 0.57 3.32 -1.57 -1.65 116.42 117.84 1i3n h ASP 246 Ca 0.07 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 56.92 1i3n h ASP 246 Cb 0.81 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1i3n h ASP 246 CO 0.07 0.69 0.02 0.25 -1.72 0.00 0.00 179.24 178.55 1i3n h LEU 247 N 0.39 -0.12 -0.52 1.55 5.85 -1.20 0.16 115.31 121.41 1i3n h LEU 247 Ca 0.10 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1i3n h LEU 247 Cb 0.39 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1i3n h LEU 247 CO 0.01 -0.03 0.30 0.00 -0.34 0.00 0.00 178.44 178.38 1i3n h ALA 248 N 1.35 0.67 -0.09 1.25 0.00 -0.93 -0.70 119.26 120.81 1i3n h ALA 248 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1i3n h ALA 248 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1i3n h ALA 248 CO -0.32 -0.01 -0.01 0.87 0.00 0.00 0.00 179.25 179.78 1i3n h LYS 249 N 0.59 0.12 0.00 0.00 1.57 -0.59 -0.85 116.57 117.41 1i3n h LYS 249 Ca 0.22 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1i3n h LYS 249 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1i3n h LYS 249 CO -0.11 0.14 -0.06 0.78 -0.57 0.00 0.00 179.45 179.63 1i3n h GLY 250 N 0.29 0.00 1.94 3.86 0.00 0.59 -1.71 103.07 108.04 1i3n h GLY 250 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 1i3n h GLY 250 CO 0.00 0.00 -0.64 0.45 0.00 0.00 0.00 176.54 176.35 1i3n h HIS 251 N 0.00 0.08 -0.22 5.60 3.86 -0.98 -0.44 115.15 123.05 1i3n h HIS 251 Ca -0.00 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 1i3n h HIS 251 Cb 0.12 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1i3n h HIS 251 CO 0.00 0.69 -0.45 0.82 0.86 0.00 0.00 177.93 179.85 1i3n h ILE 252 N 0.04 1.31 -0.52 2.45 1.08 -1.32 -1.37 117.51 119.18 1i3n h ILE 252 Ca -0.01 -1.66 -0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1i3n h ILE 252 Cb 1.14 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 1i3n h ILE 252 CO 0.09 0.52 0.22 0.00 -0.69 0.00 0.00 178.15 178.29 1i3n h ALA 253 N 0.62 1.42 -0.81 1.87 0.00 -1.18 -1.96 119.26 119.23 1i3n h ALA 253 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1i3n h ALA 253 Cb 1.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1i3n h ALA 253 CO 0.10 0.45 0.35 0.00 0.00 0.00 0.00 179.25 180.15 1i3n h ALA 254 N 1.51 1.09 -0.54 0.00 0.00 -0.65 -1.51 119.26 119.17 1i3n h ALA 254 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i3n h ALA 254 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1i3n h ALA 254 CO -0.02 0.66 0.32 -0.07 0.00 0.00 0.00 179.25 180.14 1i3n h LEU 255 N 1.16 0.65 -1.08 0.00 3.38 -0.57 -1.20 115.31 117.65 1i3n h LEU 255 Ca 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1i3n h LEU 255 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1i3n h LEU 255 CO -0.03 0.53 0.14 0.03 0.09 0.00 0.00 178.44 179.20 1i3n h ARG 256 N 0.73 0.80 -0.61 1.13 3.08 -1.08 -2.52 114.38 115.91 1i3n h ARG 256 Ca 0.19 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1i3n h ARG 256 Cb -0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1i3n h ARG 256 CO -0.04 0.71 0.36 -0.22 -1.07 0.00 0.00 179.97 179.72 1i3n h LYS 257 N 0.77 0.83 -0.85 0.04 1.63 -0.38 -2.25 116.57 116.36 1i3n h LYS 257 Ca 0.17 -0.08 0.10 0.00 -0.85 0.00 0.00 60.65 59.99 1i3n h LYS 257 Cb 0.27 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1i3n h LYS 257 CO -0.00 0.60 0.55 -0.07 -3.45 0.00 0.00 179.45 177.08 1i3n h LEU 258 N 0.82 0.74 -2.39 5.20 3.38 -0.82 -0.57 115.31 121.67 1i3n h LEU 258 Ca 0.22 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1i3n h LEU 258 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1i3n h LEU 258 CO -0.04 0.43 0.07 0.11 0.09 0.00 0.00 178.44 179.10 1i3n h LYS 259 N 0.81 0.00 0.00 1.13 1.79 -1.18 -0.51 116.57 118.62 1i3n h LYS 259 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1i3n h LYS 259 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1i3n h LYS 259 CO -0.16 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.60 1i3n n GLU 260 N -3.83 0.69 -3.37 3.15 1.02 -0.22 -4.87 120.64 113.20 1i3n n GLU 260 Ca -0.02 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1i3n n GLU 260 Cb 0.16 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.16 1i3n n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3n n GLN 261 N -1.10 -6.50 0.00 3.49 1.13 -0.20 -4.92 117.38 109.29 1i3n n GLN 261 Ca 0.18 0.76 0.08 0.00 -1.94 0.00 0.00 57.00 56.08 1i3n n GLN 261 Cb 0.13 -5.55 0.39 0.00 0.11 0.00 0.00 30.24 25.32 1i3n n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3n n GLY 263 N 0.22 0.54 3.62 0.00 0.00 -1.26 -4.54 105.19 103.78 1i3n n GLY 263 Ca 0.06 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1i3n n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3n s ARG 265 N 2.59 1.35 -0.06 0.00 1.81 -0.11 -4.96 118.95 119.56 1i3n s ARG 265 Ca 0.27 -0.91 0.03 0.00 -1.72 0.00 0.00 55.73 53.39 1i3n s ARG 265 Cb -0.15 -1.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.91 1i3n s ARG 265 CO 0.09 0.37 -0.15 0.42 -0.68 0.00 0.00 175.30 175.35 1i3n s ILE 266 N -0.80 1.31 -0.02 1.52 1.01 -1.26 -0.56 121.20 122.40 1i3n s ILE 266 Ca 0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 1i3n s ILE 266 Cb -0.09 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1i3n s ILE 266 CO 0.02 0.39 0.07 -0.31 0.00 0.00 0.00 174.94 175.11 1i3n s TYR 267 N 0.48 -0.04 0.31 3.97 1.51 -0.12 -4.97 117.35 118.49 1i3n s TYR 267 Ca -0.13 0.10 -0.27 0.00 -1.01 0.00 0.00 57.07 55.76 1i3n s TYR 267 Cb -0.15 -0.00 -0.09 0.00 -0.11 0.00 0.00 41.96 41.60 1i3n s TYR 267 CO 0.04 -0.08 0.98 -0.80 -1.11 0.00 0.00 175.55 174.59 1i3n s ASN 268 N -0.23 7.30 -0.50 2.29 0.01 -1.26 -0.55 114.94 121.99 1i3n s ASN 268 Ca -0.03 1.96 0.04 0.00 -0.71 0.00 0.00 52.86 54.12 1i3n s ASN 268 Cb -0.02 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.17 1i3n s ASN 268 CO 0.00 -0.10 0.24 -0.76 -1.51 0.00 0.00 177.10 174.97 1i3n s LEU 269 N -1.87 4.31 0.28 0.60 1.43 -0.28 -4.68 118.68 118.47 1i3n s LEU 269 Ca 0.49 -2.94 -0.05 0.00 -1.03 0.00 0.00 54.13 50.59 1i3n s LEU 269 Cb -0.23 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1i3n s LEU 269 CO 0.29 -0.24 0.40 -0.83 0.23 0.00 0.00 176.35 176.19 1i3n s GLY 270 N -0.19 1.18 0.04 -3.19 0.00 -1.26 -1.95 107.32 101.95 1i3n s GLY 270 Ca 0.17 -1.35 0.17 0.00 0.00 0.00 0.00 44.72 43.70 1i3n s GLY 270 CO -0.01 -0.97 0.77 -1.30 0.00 0.00 0.00 173.10 171.60 1i3n n THR 271 N -0.44 1.19 -0.36 0.90 -2.24 -1.26 -4.58 114.28 107.49 1i3n n THR 271 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1i3n n THR 271 Cb 0.63 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1i3n n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3n n GLY 272 N 1.42 0.76 3.26 3.38 0.00 -1.25 -4.85 105.19 107.89 1i3n n GLY 272 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1i3n n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3n s THR 273 N -2.76 2.72 0.01 2.61 2.01 -1.26 -4.77 115.64 114.20 1i3n s THR 273 Ca 0.00 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1i3n s THR 273 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1i3n s THR 273 CO 0.00 0.50 0.19 -0.83 -0.69 0.00 0.00 174.62 173.79 1i3n s GLY 274 N 0.98 2.18 0.04 4.40 0.00 -1.26 -4.15 107.32 109.51 1i3n s GLY 274 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1i3n s GLY 274 CO -0.02 -0.69 -0.13 -0.19 0.00 0.00 0.00 173.10 172.06 1i3n s TYR 275 N -1.37 1.16 0.70 1.90 2.02 0.35 -4.85 117.35 117.26 1i3n s TYR 275 Ca 0.29 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1i3n s TYR 275 Cb -0.13 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1i3n s TYR 275 CO 0.21 0.03 1.03 -1.54 -1.57 0.00 0.00 175.55 173.70 1i3n s SER 276 N -1.14 4.94 0.15 2.29 1.04 -1.26 -1.42 113.70 118.30 1i3n s SER 276 Ca 0.01 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.87 1i3n s SER 276 Cb -0.08 -1.29 0.05 0.00 0.10 0.00 0.00 66.02 64.80 1i3n s SER 276 CO 0.01 -1.54 1.74 0.58 0.98 0.00 0.00 173.24 175.01 1i3n h VAL 277 N -0.61 0.86 -0.71 5.02 2.07 -1.63 -1.27 116.25 119.99 1i3n h VAL 277 Ca -0.45 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1i3n h VAL 277 Cb 1.30 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1i3n h VAL 277 CO 0.62 0.04 0.27 -0.07 0.02 0.00 0.00 177.57 178.45 1i3n h LEU 278 N 0.21 0.97 -1.06 2.57 3.38 -1.93 -1.28 115.31 118.17 1i3n h LEU 278 Ca 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1i3n h LEU 278 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1i3n h LEU 278 CO -0.18 0.87 0.13 1.56 0.09 0.00 0.00 178.44 180.91 1i3n h GLN 279 N 1.03 0.81 -0.44 1.13 4.20 -1.79 -0.85 115.11 119.21 1i3n h GLN 279 Ca 0.24 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1i3n h GLN 279 Cb 0.21 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1i3n h GLN 279 CO -0.02 0.72 -0.22 0.52 -0.67 0.00 0.00 178.83 179.17 1i3n h MET 280 N 0.78 0.89 -0.29 1.46 2.86 -0.61 -0.59 114.93 119.42 1i3n h MET 280 Ca 0.17 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1i3n h MET 280 Cb 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1i3n h MET 280 CO -0.00 1.02 0.15 0.28 1.06 0.00 0.00 176.91 179.41 1i3n h VAL 281 N 0.77 1.14 -0.36 -2.22 2.07 -0.85 -0.62 116.25 116.18 1i3n h VAL 281 Ca 0.10 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1i3n h VAL 281 Cb 0.77 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1i3n h VAL 281 CO 0.06 0.14 0.16 -0.61 0.02 0.00 0.00 177.57 177.35 1i3n h GLN 282 N 0.35 0.53 -0.38 1.57 4.15 -1.03 -0.30 115.11 119.99 1i3n h GLN 282 Ca 0.10 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1i3n h GLN 282 Cb 0.09 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1i3n h GLN 282 CO -0.01 0.50 0.22 0.00 -1.93 0.00 0.00 178.83 177.60 1i3n h ALA 283 N 1.01 1.66 -0.03 3.38 0.00 -0.91 -1.41 119.26 122.96 1i3n h ALA 283 Ca 0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1i3n h ALA 283 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i3n h ALA 283 CO -0.01 0.29 -0.70 0.52 0.00 0.00 0.00 179.25 179.34 1i3n h MET 284 N 0.52 0.15 -0.53 0.00 2.86 -0.52 -0.66 114.93 116.75 1i3n h MET 284 Ca 0.14 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1i3n h MET 284 Cb 0.00 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1i3n h MET 284 CO -0.02 0.79 -0.07 0.93 1.06 0.00 0.00 176.91 179.60 1i3n h GLU 285 N 0.10 0.96 -0.11 1.72 5.08 -0.31 0.11 114.58 122.13 1i3n h GLU 285 Ca -0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1i3n h GLU 285 Cb 1.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1i3n h GLU 285 CO 0.10 0.99 0.02 0.87 -1.00 0.00 0.00 179.01 179.99 1i3n h LYS 286 N 0.87 0.19 -0.41 2.33 1.57 -1.10 0.03 116.57 120.05 1i3n h LYS 286 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1i3n h LYS 286 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1i3n h LYS 286 CO 0.04 0.39 0.19 0.00 -0.57 0.00 0.00 179.45 179.50 1i3n h ALA 287 N 0.79 0.53 0.00 3.86 0.00 -0.87 -3.26 119.26 120.31 1i3n h ALA 287 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1i3n h ALA 287 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1i3n h ALA 287 CO 0.00 0.10 -0.65 0.66 0.00 0.00 0.00 179.25 179.36 1i3n h SER 288 N 0.52 0.00 -0.04 0.00 4.64 -0.79 -3.47 113.55 114.41 1i3n h SER 288 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1i3n h SER 288 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1i3n h SER 288 CO -0.02 0.37 -0.02 0.61 -0.87 0.00 0.00 176.83 176.91 1i3n n GLY 289 N 1.23 0.44 3.60 -0.77 0.00 -0.01 -5.01 105.19 104.68 1i3n n GLY 289 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1i3n n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3n s LYS 290 N -0.82 2.09 0.15 1.61 -0.14 -1.24 -5.06 119.74 116.33 1i3n s LYS 290 Ca 0.00 -1.60 -0.13 0.00 -1.36 0.00 0.00 55.97 52.87 1i3n s LYS 290 Cb 0.00 -2.00 -0.07 0.00 -1.68 0.00 0.00 37.83 34.08 1i3n s LYS 290 CO 0.00 0.28 0.54 0.15 -0.76 0.00 0.00 175.35 175.56 1i3n s LYS 291 N -3.65 3.95 -0.49 1.68 1.02 -1.26 -4.47 119.74 116.51 1i3n s LYS 291 Ca 0.32 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.79 1i3n s LYS 291 Cb -0.04 -2.90 0.14 0.00 -0.52 0.00 0.00 37.83 34.51 1i3n s LYS 291 CO 0.19 0.46 0.30 0.42 -0.92 0.00 0.00 175.35 175.80 1i3n s ILE 292 N -1.50 1.68 0.61 2.17 1.01 -1.26 -4.61 121.20 119.30 1i3n s ILE 292 Ca 0.39 -2.96 -0.19 0.00 0.00 0.00 0.00 60.65 57.89 1i3n s ILE 292 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1i3n s ILE 292 CO 0.19 -0.94 1.29 -2.84 0.00 0.00 0.00 174.94 172.64 1i3n s PRO 293 N -0.07 2.76 0.06 2.79 0.02 -1.26 -4.85 135.00 134.44 1i3n s PRO 293 Ca 0.21 2.05 -0.08 0.00 0.02 0.00 0.00 61.00 63.20 1i3n s PRO 293 Cb -0.18 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.39 1i3n s PRO 293 CO -0.05 -1.43 0.16 1.52 -0.33 0.00 0.00 177.00 176.87 1i3n s TYR 294 N -1.41 0.14 -0.03 6.54 1.13 -1.26 -1.31 117.35 121.15 1i3n s TYR 294 Ca 0.79 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.99 1i3n s TYR 294 Cb -0.37 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.43 1i3n s TYR 294 CO 0.40 -0.46 -0.03 0.15 -2.51 0.00 0.00 175.55 173.10 1i3n s LYS 295 N -3.11 0.57 -0.19 -3.49 1.02 0.59 -4.90 119.74 110.22 1i3n s LYS 295 Ca -0.01 -0.07 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 1i3n s LYS 295 Cb 0.02 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1i3n s LYS 295 CO -0.07 -0.05 0.83 0.08 -0.92 0.00 0.00 175.35 175.22 1i3n s VAL 296 N 0.68 4.87 0.08 3.17 1.01 -1.26 0.05 120.40 128.99 1i3n s VAL 296 Ca -0.08 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1i3n s VAL 296 Cb -0.11 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 1i3n s VAL 296 CO -0.00 -0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.42 1i3n n VAL 297 N 4.91 0.00 -1.02 2.92 0.24 0.11 -4.90 118.33 120.59 1i3n n VAL 297 Ca 0.05 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.34 61.66 1i3n n VAL 297 Cb 0.48 0.07 0.12 0.00 -1.47 0.00 0.00 33.84 33.05 1i3n n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3n s ALA 298 N -2.14 1.89 0.58 2.33 0.00 -1.26 -0.81 121.76 122.34 1i3n s ALA 298 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1i3n s ALA 298 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1i3n s ALA 298 CO 0.00 -2.21 1.26 1.03 0.00 0.00 0.00 175.76 175.84 1i3n s ARG 299 N -4.80 3.02 0.06 0.00 0.52 -1.26 -3.00 118.95 113.49 1i3n s ARG 299 Ca 0.64 1.97 -0.23 0.00 -0.52 0.00 0.00 55.73 57.59 1i3n s ARG 299 Cb -0.19 -2.05 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 1i3n s ARG 299 CO 0.57 -1.21 0.68 0.50 0.02 0.00 0.00 175.30 175.86 1i3n s ARG 300 N -3.16 4.40 0.13 3.54 3.52 -1.26 -4.88 118.95 121.24 1i3n s ARG 300 Ca 0.76 0.92 -0.35 0.00 -0.13 0.00 0.00 55.73 56.93 1i3n s ARG 300 Cb -0.34 -3.32 -0.16 0.00 -1.56 0.00 0.00 34.95 29.58 1i3n s ARG 300 CO 0.38 0.42 1.36 -1.91 -0.81 0.00 0.00 175.30 174.74 1i3n n GLU 301 N 2.38 1.45 -1.05 5.12 2.13 -1.26 -1.53 120.64 127.89 1i3n n GLU 301 Ca -0.06 0.52 -0.02 0.00 0.66 0.00 0.00 57.16 58.27 1i3n n GLU 301 Cb 0.50 -2.16 -0.01 0.00 0.27 0.00 0.00 31.44 30.04 1i3n n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i3n n GLY 302 N 2.58 0.42 3.77 8.31 0.00 -1.26 -5.00 105.19 114.00 1i3n n GLY 302 Ca 0.17 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1i3n n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3n s ASP 303 N -2.15 6.87 0.11 1.61 1.01 -0.58 -5.04 116.67 118.49 1i3n s ASP 303 Ca 0.00 2.14 -0.09 0.00 0.71 0.00 0.00 52.55 55.31 1i3n s ASP 303 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 1i3n s ASP 303 CO 0.00 -0.42 0.42 -0.69 0.21 0.00 0.00 175.17 174.69 1i3n s VAL 304 N -1.48 5.08 0.07 -1.27 1.01 -1.26 -5.00 120.40 117.54 1i3n s VAL 304 Ca 0.54 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 1i3n s VAL 304 Cb -0.26 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 1i3n s VAL 304 CO 0.33 0.19 1.55 0.00 0.00 0.00 0.00 175.10 177.17 1i3n h ALA 305 N 3.39 0.21 -2.98 5.51 0.00 -1.96 -3.44 119.26 119.99 1i3n h ALA 305 Ca -0.48 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 1i3n h ALA 305 Cb 1.18 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.67 1i3n h ALA 305 CO 0.68 -0.14 -0.36 0.00 0.00 0.00 0.00 179.25 179.43 1i3n s ALA 306 N -5.24 -0.75 -0.13 0.00 0.00 -1.26 -1.28 121.76 113.11 1i3n s ALA 306 Ca -0.14 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1i3n s ALA 306 Cb 0.06 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1i3n s ALA 306 CO 0.71 -0.15 0.28 0.00 0.00 0.00 0.00 175.76 176.60 1i3n s TYR 308 N 1.92 -0.39 0.30 0.00 -0.85 -1.26 -2.05 117.35 115.01 1i3n s TYR 308 Ca -0.04 0.35 -0.06 0.00 -0.52 0.00 0.00 57.07 56.81 1i3n s TYR 308 Cb -0.11 0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 1i3n s TYR 308 CO -0.09 -0.67 0.58 0.00 -1.52 0.00 0.00 175.55 173.84 1i3n s ALA 309 N -2.81 3.59 -0.46 9.51 0.00 -1.26 -1.12 121.76 129.21 1i3n s ALA 309 Ca -0.03 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1i3n s ALA 309 Cb -0.00 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.82 1i3n s ALA 309 CO -0.05 0.24 0.37 1.21 0.00 0.00 0.00 175.76 177.53 1i3n s ASN 310 N -3.10 6.12 0.00 0.00 3.04 0.18 -3.90 114.94 117.28 1i3n s ASN 310 Ca 0.45 -1.22 0.14 0.00 0.04 0.00 0.00 52.86 52.26 1i3n s ASN 310 Cb -0.11 -2.17 0.54 0.00 -1.54 0.00 0.00 41.25 37.97 1i3n s ASN 310 CO 0.29 -0.59 1.39 -0.81 -3.04 0.00 0.00 177.10 174.34 1i3n n PRO 311 N 5.18 1.52 -0.02 0.43 -0.04 -1.26 -4.51 135.00 136.30 1i3n n PRO 311 Ca -0.12 -0.79 -0.11 0.00 -0.04 0.00 0.00 63.50 62.44 1i3n n PRO 311 Cb 0.44 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1i3n n PRO 311 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1i3n h SER 312 N 1.43 0.17 -0.47 3.54 0.02 -1.96 -2.46 113.55 113.82 1i3n h SER 312 Ca 0.00 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1i3n h SER 312 Cb 0.32 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1i3n h SER 312 CO 0.00 0.19 0.31 0.25 -1.14 0.00 0.00 176.83 176.43 1i3n h LEU 313 N 0.14 0.52 -0.70 5.07 5.85 -1.97 -0.45 115.31 123.77 1i3n h LEU 313 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1i3n h LEU 313 Cb 0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1i3n h LEU 313 CO -0.01 0.38 0.45 0.00 -0.34 0.00 0.00 178.44 178.92 1i3n h ALA 314 N 1.18 0.91 -0.29 1.25 0.00 -1.82 0.31 119.26 120.79 1i3n h ALA 314 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1i3n h ALA 314 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1i3n h ALA 314 CO -0.05 0.25 0.12 0.37 0.00 0.00 0.00 179.25 179.94 1i3n h GLN 315 N 0.89 0.43 0.23 0.00 4.15 -1.01 -1.00 115.11 118.80 1i3n h GLN 315 Ca 0.27 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1i3n h GLN 315 Cb -0.02 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1i3n h GLN 315 CO -0.09 0.43 -0.11 1.49 -1.93 0.00 0.00 178.83 178.62 1i3n h GLU 316 N 0.32 -0.30 0.05 1.69 4.57 -0.64 -2.39 114.58 117.88 1i3n h GLU 316 Ca 0.10 0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.08 1i3n h GLU 316 Cb 0.16 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1i3n h GLU 316 CO -0.01 -0.00 -1.14 0.93 -1.18 0.00 0.00 179.01 177.61 1i3n h GLU 317 N -0.61 0.10 0.00 1.92 5.08 -0.49 -3.36 114.58 117.23 1i3n h GLU 317 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1i3n h GLU 317 Cb 0.44 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1i3n h GLU 317 CO 0.05 1.08 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.81 1i3n h LEU 318 N -0.69 0.00 0.80 1.33 3.38 -1.33 -3.47 115.31 115.33 1i3n h LEU 318 Ca -0.28 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.47 1i3n h LEU 318 Cb 1.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1i3n h LEU 318 CO -0.06 0.03 -0.18 0.61 0.09 0.00 0.00 178.44 178.92 1i3n n GLY 319 N 1.26 0.48 3.23 0.83 0.00 -0.56 -4.90 105.19 105.54 1i3n n GLY 319 Ca 0.04 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1i3n n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3n s TRP 320 N -2.36 1.77 -0.01 1.61 -0.00 -0.94 -4.96 118.94 114.06 1i3n s TRP 320 Ca 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 56.10 55.68 1i3n s TRP 320 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 33.47 32.39 1i3n s TRP 320 CO 0.00 0.05 0.11 0.95 -0.00 0.00 0.00 176.95 178.06 1i3n s THR 321 N -0.69 0.07 -0.02 5.86 -4.23 -1.26 -2.57 115.64 112.79 1i3n s THR 321 Ca 0.07 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.71 1i3n s THR 321 Cb -0.08 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1i3n s THR 321 CO 0.01 -0.32 1.18 0.00 -0.54 0.00 0.00 174.62 174.96 1i3n s ALA 322 N -1.09 3.44 -0.37 3.99 0.00 -1.26 -4.94 121.76 121.54 1i3n s ALA 322 Ca -0.12 0.68 0.22 0.00 0.00 0.00 0.00 51.96 52.74 1i3n s ALA 322 Cb -0.07 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 1i3n s ALA 322 CO 0.01 -0.63 0.77 0.00 0.00 0.00 0.00 175.76 175.91 1i3n n ALA 323 N 4.75 3.24 -2.74 0.00 0.00 -1.26 -4.95 120.51 119.54 1i3n n ALA 323 Ca 0.10 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 1i3n n ALA 323 Cb 0.47 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1i3n n ALA 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3n s LEU 324 N -4.23 4.18 0.00 0.00 1.43 -1.26 -5.08 118.68 113.72 1i3n s LEU 324 Ca -0.01 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1i3n s LEU 324 Cb 0.14 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1i3n s LEU 324 CO 0.86 0.19 0.25 0.61 0.23 0.00 0.00 176.35 178.49 1i3n n GLY 325 N 3.44 0.88 0.21 -3.19 0.00 -1.26 -4.66 105.19 100.61 1i3n n GLY 325 Ca -0.16 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 1i3n n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3n h LEU 326 N 0.00 -0.51 -0.71 0.99 5.85 -1.98 -0.67 115.31 118.28 1i3n h LEU 326 Ca -0.08 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1i3n h LEU 326 Cb 0.32 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1i3n h LEU 326 CO 0.09 -0.18 0.44 0.44 -0.34 0.00 0.00 178.44 178.89 1i3n h ASP 327 N -0.09 0.72 -0.55 1.25 3.32 -1.95 -0.56 116.42 118.56 1i3n h ASP 327 Ca 0.17 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1i3n h ASP 327 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1i3n h ASP 327 CO -0.40 0.49 0.16 -0.09 -1.72 0.00 0.00 179.24 177.68 1i3n h ARG 328 N 0.86 0.86 -0.30 3.56 9.65 -1.82 0.34 114.38 127.53 1i3n h ARG 328 Ca 0.29 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1i3n h ARG 328 Cb 0.04 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1i3n h ARG 328 CO -0.12 0.79 0.13 0.52 2.80 0.00 0.00 179.97 184.10 1i3n h MET 329 N 0.76 0.28 -0.38 0.20 2.86 -0.70 0.42 114.93 118.37 1i3n h MET 329 Ca 0.17 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 1i3n h MET 329 Cb 0.30 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1i3n h MET 329 CO -0.00 0.18 -0.38 0.00 1.06 0.00 0.00 176.91 177.77 1i3n h GLU 331 N 0.75 0.58 -0.55 0.00 4.81 -0.09 -0.22 114.58 119.86 1i3n h GLU 331 Ca 0.06 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1i3n h GLU 331 Cb 0.97 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1i3n h GLU 331 CO 0.09 0.49 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.35 1i3n h ASP 332 N 0.52 1.01 -0.28 1.04 3.32 -0.84 -1.21 116.42 119.97 1i3n h ASP 332 Ca 0.14 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1i3n h ASP 332 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1i3n h ASP 332 CO -0.02 1.11 0.06 0.25 -1.72 0.00 0.00 179.24 178.92 1i3n h LEU 333 N 0.92 0.43 -0.44 1.55 5.85 -0.98 -2.42 115.31 120.22 1i3n h LEU 333 Ca 0.15 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1i3n h LEU 333 Cb 0.64 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1i3n h LEU 333 CO 0.04 0.57 0.23 -0.25 -0.34 0.00 0.00 178.44 178.69 1i3n h TRP 334 N 0.28 0.42 -0.37 1.25 2.91 -0.87 -1.36 115.95 118.21 1i3n h TRP 334 Ca 0.09 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.19 1i3n h TRP 334 Cb 0.31 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.78 1i3n h TRP 334 CO 0.02 0.21 0.04 -0.09 -1.03 0.00 0.00 178.44 177.59 1i3n h ARG 335 N 0.45 0.15 0.05 2.65 2.43 -1.12 0.23 114.38 119.22 1i3n h ARG 335 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1i3n h ARG 335 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1i3n h ARG 335 CO -0.13 0.10 -0.05 2.35 -1.51 0.00 0.00 179.97 180.73 1i3n h TRP 336 N 0.15 -0.13 -0.57 2.20 2.91 -1.12 -0.55 115.95 118.84 1i3n h TRP 336 Ca 0.18 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1i3n h TRP 336 Cb 0.23 0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1i3n h TRP 336 CO -0.22 -0.08 0.33 0.37 -1.03 0.00 0.00 178.44 177.81 1i3n h GLN 337 N -0.12 0.78 -0.24 2.65 5.75 -0.72 -1.49 115.11 121.73 1i3n h GLN 337 Ca 0.00 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1i3n h GLN 337 Cb 0.12 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1i3n h GLN 337 CO -0.02 0.57 -0.10 -0.22 -2.65 0.00 0.00 178.83 176.41 1i3n h LYS 338 N 0.77 0.48 0.00 1.69 3.64 -0.48 -2.73 116.57 119.94 1i3n h LYS 338 Ca 0.20 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i3n h LYS 338 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1i3n h LYS 338 CO -0.04 0.75 0.00 1.96 -2.27 0.00 0.00 179.45 179.85 1i3n h GLN 339 N 0.20 0.00 -2.14 1.90 4.20 -1.08 -3.35 115.11 114.85 1i3n h GLN 339 Ca 0.05 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.19 1i3n h GLN 339 Cb 0.59 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.98 1i3n h GLN 339 CO 0.03 0.00 -1.03 0.09 -0.67 0.00 0.00 178.83 177.25 1i3n n ASN 340 N -2.62 0.27 0.27 1.46 3.02 -0.56 -4.98 115.26 112.11 1i3n n ASN 340 Ca 0.03 -2.66 0.18 0.00 -0.03 0.00 0.00 54.58 52.10 1i3n n ASN 340 Cb 0.35 -0.62 0.91 0.00 -0.61 0.00 0.00 39.78 39.81 1i3n n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1i3n h PRO 341 N 4.49 0.00 -0.17 3.52 0.11 -1.63 -1.01 132.00 137.30 1i3n h PRO 341 Ca 0.13 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1i3n h PRO 341 Cb 0.87 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.85 1i3n h PRO 341 CO 0.46 0.00 -0.63 -1.13 -0.21 0.00 0.00 178.00 176.50 1i3n n SER 342 N -3.34 2.35 0.00 -2.05 3.41 -1.26 -5.06 113.62 107.67 1i3n n SER 342 Ca -0.00 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1i3n n SER 342 Cb 0.31 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1i3n n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3n n GLY 343 N -0.89 1.43 0.19 5.00 0.00 -0.38 -2.97 105.19 107.57 1i3n n GLY 343 Ca 0.23 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1i3n n GLY 343 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i3n h PHE 344 N 0.00 0.00 0.00 1.61 0.04 -1.93 -3.46 116.94 113.20 1i3n h PHE 344 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1i3n h PHE 344 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1i3n h PHE 344 CO 0.00 0.31 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 1i3n n GLY 345 N 0.69 -1.31 0.00 -1.45 0.00 -1.16 -5.06 105.19 96.90 1i3n n GLY 345 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1i3n n GLY 345 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95