#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3k s GLU 3 N 0.00 4.25 0.70 0.00 2.02 -1.26 -5.01 118.70 119.40 1i3k s GLU 3 Ca 0.00 1.01 -0.04 0.00 0.02 0.00 0.00 54.97 55.96 1i3k s GLU 3 Cb 0.00 -2.49 0.08 0.00 0.10 0.00 0.00 34.13 31.83 1i3k s GLU 3 CO 0.00 0.15 0.98 0.15 0.02 0.00 0.00 175.26 176.57 1i3k s LYS 4 N -2.69 2.00 -0.14 1.61 -0.14 -0.77 -4.69 119.74 114.92 1i3k s LYS 4 Ca 0.54 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1i3k s LYS 4 Cb -0.13 -2.25 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1i3k s LYS 4 CO 0.18 -1.29 -0.13 0.08 -0.76 0.00 0.00 175.35 173.43 1i3k s VAL 5 N -3.17 1.48 -0.03 3.17 1.01 -0.75 0.35 120.40 122.46 1i3k s VAL 5 Ca 0.62 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1i3k s VAL 5 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1i3k s VAL 5 CO 0.44 0.44 0.74 -0.22 0.00 0.00 0.00 175.10 176.50 1i3k s LEU 6 N 1.44 4.35 -0.30 3.92 2.96 -0.56 -1.23 118.68 129.27 1i3k s LEU 6 Ca 0.03 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1i3k s LEU 6 Cb -0.13 -3.16 0.07 0.00 0.50 0.00 0.00 46.19 43.47 1i3k s LEU 6 CO -0.09 -0.10 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.12 1i3k s VAL 7 N 0.60 2.41 0.29 1.68 1.01 0.31 -0.49 120.40 126.21 1i3k s VAL 7 Ca 0.39 -1.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 1i3k s VAL 7 Cb -0.19 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1i3k s VAL 7 CO 0.20 -0.23 0.76 0.42 0.00 0.00 0.00 175.10 176.25 1i3k s THR 8 N 1.08 4.58 -1.68 3.92 -4.23 -0.28 -1.80 115.64 117.23 1i3k s THR 8 Ca -0.02 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1i3k s THR 8 Cb -0.20 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1i3k s THR 8 CO -0.05 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1i3k n GLY 9 N 0.13 0.57 0.09 3.99 0.00 0.13 -1.94 105.19 108.17 1i3k n GLY 9 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1i3k n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3k n GLY 10 N -0.92 -0.94 0.04 -0.02 0.00 -1.13 -2.70 105.19 99.53 1i3k n GLY 10 Ca -0.20 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1i3k n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k n ALA 11 N -1.68 3.39 -1.10 4.61 0.00 -1.26 -1.74 120.51 122.73 1i3k n ALA 11 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1i3k n ALA 11 Cb 0.11 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1i3k n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 12 N 1.47 -1.86 0.23 0.00 0.00 -1.10 -4.58 105.19 99.36 1i3k n GLY 12 Ca 0.07 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1i3k n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3k h TYR 13 N -1.46 -0.64 -0.35 1.61 3.20 -1.88 0.56 116.97 118.01 1i3k h TYR 13 Ca -0.09 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.64 1i3k h TYR 13 Cb 0.25 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1i3k h TYR 13 CO 0.00 -0.32 -0.36 0.82 -1.64 0.00 0.00 178.16 176.66 1i3k h ILE 14 N -0.50 1.28 -0.39 1.81 2.04 -1.94 -3.11 117.51 116.70 1i3k h ILE 14 Ca -0.04 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.31 1i3k h ILE 14 Cb 0.42 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1i3k h ILE 14 CO -0.00 0.51 0.22 1.23 0.00 0.00 0.00 178.15 180.10 1i3k h GLY 15 N 0.67 0.54 1.16 5.37 0.00 -1.77 0.38 103.07 109.42 1i3k h GLY 15 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1i3k h GLY 15 CO 0.09 0.13 0.28 1.48 0.00 0.00 0.00 176.54 178.52 1i3k h SER 16 N 0.44 0.99 -0.30 0.19 4.64 -0.02 0.16 113.55 119.64 1i3k h SER 16 Ca 0.16 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1i3k h SER 16 Cb 0.03 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1i3k h SER 16 CO -0.09 0.88 -0.15 0.45 -0.87 0.00 0.00 176.83 177.05 1i3k h HIS 17 N 1.05 0.83 -0.36 4.77 -0.00 -1.41 -2.04 115.15 117.99 1i3k h HIS 17 Ca 0.24 -0.16 -0.15 0.00 -0.00 0.00 0.00 60.37 60.29 1i3k h HIS 17 Cb 0.21 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1i3k h HIS 17 CO 0.02 0.85 -0.37 1.15 -0.00 0.00 0.00 177.93 179.58 1i3k h THR 18 N 0.67 1.28 -0.80 2.45 2.02 -0.21 -1.84 112.91 116.49 1i3k h THR 18 Ca 0.11 -1.55 0.06 0.00 0.77 0.00 0.00 66.41 65.80 1i3k h THR 18 Cb 0.64 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 1i3k h THR 18 CO 0.04 0.51 0.48 0.58 0.37 0.00 0.00 175.52 177.51 1i3k h VAL 19 N 0.70 1.02 -0.11 3.16 2.07 -0.49 0.12 116.25 122.71 1i3k h VAL 19 Ca 0.06 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1i3k h VAL 19 Cb 0.97 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1i3k h VAL 19 CO 0.09 0.16 0.00 0.25 0.02 0.00 0.00 177.57 178.09 1i3k h LEU 20 N 0.88 -0.04 -0.74 2.57 6.46 -1.17 -0.20 115.31 123.07 1i3k h LEU 20 Ca 0.35 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.15 1i3k h LEU 20 Cb 0.18 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1i3k h LEU 20 CO -0.18 -0.00 0.48 -0.33 -0.62 0.00 0.00 178.44 177.79 1i3k h GLU 21 N 0.04 0.94 -0.10 1.25 4.39 -0.46 -1.75 114.58 118.90 1i3k h GLU 21 Ca 0.05 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1i3k h GLU 21 Cb 0.06 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1i3k h GLU 21 CO -0.09 0.62 0.02 -0.07 -1.16 0.00 0.00 179.01 178.33 1i3k h LEU 22 N 0.96 0.01 -0.74 1.33 3.38 -0.41 -0.38 115.31 119.46 1i3k h LEU 22 Ca 0.28 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1i3k h LEU 22 Cb -0.05 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1i3k h LEU 22 CO -0.08 0.02 0.44 -0.07 0.09 0.00 0.00 178.44 178.84 1i3k h LEU 23 N 0.07 0.68 -1.24 1.67 3.38 -0.66 -0.86 115.31 118.35 1i3k h LEU 23 Ca 0.04 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1i3k h LEU 23 Cb 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i3k h LEU 23 CO -0.05 0.45 -0.33 -0.33 0.09 0.00 0.00 178.44 178.26 1i3k h GLU 24 N 0.82 0.08 -0.14 1.13 5.08 -1.02 -2.59 114.58 117.93 1i3k h GLU 24 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1i3k h GLU 24 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1i3k h GLU 24 CO -0.16 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1i3k n ALA 25 N -2.48 2.52 -0.35 3.43 0.00 -0.18 -4.91 120.51 118.55 1i3k n ALA 25 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1i3k n ALA 25 Cb 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1i3k n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 26 N 0.96 0.75 3.92 0.00 0.00 -0.98 -5.05 105.19 104.80 1i3k n GLY 26 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1i3k n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3k s TYR 27 N -2.33 3.14 -0.42 1.61 2.02 -0.41 -5.02 117.35 115.94 1i3k s TYR 27 Ca 0.00 0.55 0.03 0.00 -0.37 0.00 0.00 57.07 57.28 1i3k s TYR 27 Cb 0.00 -2.85 0.12 0.00 -0.40 0.00 0.00 41.96 38.83 1i3k s TYR 27 CO 0.00 -0.97 0.16 -0.51 -1.57 0.00 0.00 175.55 172.66 1i3k s LEU 28 N -5.04 4.13 0.47 -1.29 1.43 -1.26 -4.45 118.68 112.67 1i3k s LEU 28 Ca 0.56 -2.52 -0.08 0.00 -1.03 0.00 0.00 54.13 51.06 1i3k s LEU 28 Cb -0.11 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1i3k s LEU 28 CO 0.45 -0.31 0.81 -2.16 0.23 0.00 0.00 176.35 175.36 1i3k s PRO 29 N 0.41 3.65 -0.12 1.29 0.04 -1.26 -1.80 135.00 137.20 1i3k s PRO 29 Ca 0.14 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 1i3k s PRO 29 Cb -0.22 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 31.99 1i3k s PRO 29 CO -0.05 -0.18 -0.08 0.08 0.04 0.00 0.00 177.00 176.81 1i3k s VAL 30 N -2.64 1.12 -0.05 -0.36 1.01 -0.36 -4.03 120.40 115.09 1i3k s VAL 30 Ca 0.50 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1i3k s VAL 30 Cb -0.10 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1i3k s VAL 30 CO 0.40 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 175.04 1i3k s VAL 31 N 1.67 3.15 0.08 2.92 1.01 1.00 -0.53 120.40 129.69 1i3k s VAL 31 Ca 0.05 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1i3k s VAL 31 Cb -0.13 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1i3k s VAL 31 CO -0.09 0.59 -0.19 0.27 0.00 0.00 0.00 175.10 175.68 1i3k s ILE 32 N -0.73 1.58 -0.10 2.22 -4.36 -0.75 -1.20 121.20 117.85 1i3k s ILE 32 Ca 0.11 -1.38 -0.30 0.00 -0.26 0.00 0.00 60.65 58.82 1i3k s ILE 32 Cb -0.11 -1.42 0.10 0.00 1.25 0.00 0.00 42.46 42.28 1i3k s ILE 32 CO 0.01 -0.00 0.86 -0.62 0.24 0.00 0.00 174.94 175.42 1i3k s ASP 33 N -1.63 -0.49 0.00 4.36 2.15 -1.18 -0.69 116.67 119.20 1i3k s ASP 33 Ca 0.05 0.50 0.13 0.00 0.43 0.00 0.00 52.55 53.66 1i3k s ASP 33 Cb -0.09 0.40 0.28 0.00 -0.30 0.00 0.00 42.92 43.21 1i3k s ASP 33 CO 0.03 -0.47 1.18 -0.46 -0.17 0.00 0.00 175.17 175.28 1i3k n ASN 34 N 0.73 2.80 -0.85 -0.34 6.94 -1.12 -1.24 115.26 122.18 1i3k n ASN 34 Ca -0.14 -1.85 -0.11 0.00 -0.02 0.00 0.00 54.58 52.46 1i3k n ASN 34 Cb 0.58 -0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 37.76 1i3k n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3k n PHE 35 N 0.75 0.00 -0.25 -2.53 3.01 -1.26 -4.87 117.46 112.31 1i3k n PHE 35 Ca 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.58 1i3k n PHE 35 Cb 0.42 -2.21 0.20 0.00 -0.01 0.00 0.00 39.48 37.89 1i3k n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3k h HIS 36 N 0.00 1.02 -0.55 1.38 2.76 -1.99 -3.27 115.15 114.49 1i3k h HIS 36 Ca -0.23 0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 57.69 1i3k h HIS 36 Cb 0.83 -0.34 -0.40 0.00 1.55 0.00 0.00 27.41 29.05 1i3k h HIS 36 CO 0.38 0.66 -1.13 -1.71 -1.30 0.00 0.00 177.93 174.83 1i3k n ASN 37 N -4.40 1.51 -3.85 3.26 5.15 -1.26 -5.07 115.26 110.61 1i3k n ASN 37 Ca 0.09 -2.18 -0.12 0.00 -0.60 0.00 0.00 54.58 51.77 1i3k n ASN 37 Cb 0.05 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.70 1i3k n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3k s ALA 38 N -3.61 -0.32 0.00 5.20 0.00 -1.24 -4.79 121.76 117.01 1i3k s ALA 38 Ca 0.27 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 1i3k s ALA 38 Cb 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1i3k s ALA 38 CO -0.02 -0.12 0.79 0.12 0.00 0.00 0.00 175.76 176.52 1i3k s PHE 39 N -0.49 3.67 0.20 0.00 5.36 -1.26 -4.70 117.98 120.77 1i3k s PHE 39 Ca -0.06 1.45 -0.30 0.00 -0.96 0.00 0.00 56.93 57.06 1i3k s PHE 39 Cb -0.04 -2.87 -0.08 0.00 -0.34 0.00 0.00 43.02 39.69 1i3k s PHE 39 CO 0.01 0.16 0.98 1.03 -1.46 0.00 0.00 175.22 175.94 1i3k s ARG 40 N 0.40 4.75 0.68 10.12 0.52 -1.26 -2.11 118.95 132.05 1i3k s ARG 40 Ca 0.41 1.54 -0.07 0.00 -0.52 0.00 0.00 55.73 57.09 1i3k s ARG 40 Cb -0.20 -3.30 0.15 0.00 0.52 0.00 0.00 34.95 32.12 1i3k s ARG 40 CO 0.22 0.34 0.92 0.41 0.02 0.00 0.00 175.30 177.21 1i3k n GLY 41 N 1.76 -0.47 0.20 -3.53 0.00 -1.14 -4.58 105.19 97.43 1i3k n GLY 41 Ca -0.00 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1i3k n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3k h GLY 42 N -0.95 0.00 0.00 -0.02 0.00 -1.91 -3.45 103.07 96.74 1i3k h GLY 42 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1i3k h GLY 42 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1i3k n GLY 43 N -0.48 2.73 0.25 4.60 0.00 -1.26 -5.03 105.19 106.01 1i3k n GLY 43 Ca -0.02 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1i3k n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3k h SER 44 N 0.00 0.95 -4.02 1.61 4.64 -2.02 -3.45 113.55 111.26 1i3k h SER 44 Ca 0.00 -0.51 -0.50 0.00 -0.47 0.00 0.00 61.79 60.32 1i3k h SER 44 Cb 0.00 -0.27 0.05 0.00 -0.31 0.00 0.00 62.40 61.87 1i3k h SER 44 CO 0.00 1.30 0.45 -0.76 -0.87 0.00 0.00 176.83 176.95 1i3k s LEU 45 N -8.66 3.96 0.64 5.97 1.43 -1.26 -4.84 118.68 115.92 1i3k s LEU 45 Ca -0.10 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 1i3k s LEU 45 Cb 0.10 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 41.97 1i3k s LEU 45 CO 0.89 -0.89 1.25 -2.84 0.23 0.00 0.00 176.35 174.99 1i3k s PRO 46 N -2.84 2.66 0.22 1.29 0.02 -1.26 -2.87 135.00 132.23 1i3k s PRO 46 Ca 0.65 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 63.52 1i3k s PRO 46 Cb -0.25 -1.88 0.27 0.00 0.02 0.00 0.00 34.50 32.66 1i3k s PRO 46 CO 0.30 -1.47 1.84 1.49 -0.33 0.00 0.00 177.00 178.82 1i3k h GLU 47 N 0.56 0.83 -0.77 5.54 4.57 -1.67 -0.97 114.58 122.67 1i3k h GLU 47 Ca -0.50 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 57.73 1i3k h GLU 47 Cb 1.32 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1i3k h GLU 47 CO 0.53 0.55 0.41 0.66 -1.18 0.00 0.00 179.01 179.98 1i3k h SER 48 N 0.85 0.55 1.04 1.04 4.64 -1.86 -1.67 113.55 118.14 1i3k h SER 48 Ca 0.33 0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.57 1i3k h SER 48 Cb 0.15 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1i3k h SER 48 CO -0.16 0.30 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.36 1i3k h LEU 49 N 0.68 0.00 -0.64 5.97 3.38 -1.69 -1.23 115.31 121.78 1i3k h LEU 49 Ca 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1i3k h LEU 49 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1i3k h LEU 49 CO -0.27 0.67 0.26 -0.09 0.09 0.00 0.00 178.44 179.10 1i3k h ARG 50 N 0.00 0.96 -0.53 1.13 2.43 -0.58 -0.04 114.38 117.75 1i3k h ARG 50 Ca -0.01 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1i3k h ARG 50 Cb 1.37 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1i3k h ARG 50 CO 0.09 0.80 -0.14 0.00 -1.51 0.00 0.00 179.97 179.21 1i3k h ARG 51 N 0.90 1.04 -0.67 0.20 3.08 -1.18 -2.03 114.38 115.71 1i3k h ARG 51 Ca 0.21 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1i3k h ARG 51 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1i3k h ARG 51 CO -0.02 1.09 0.36 0.28 -1.07 0.00 0.00 179.97 180.61 1i3k h VAL 52 N 0.91 1.20 -0.59 2.04 2.07 -0.74 0.10 116.25 121.25 1i3k h VAL 52 Ca 0.13 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1i3k h VAL 52 Cb 0.72 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1i3k h VAL 52 CO 0.05 0.23 0.34 -0.61 0.02 0.00 0.00 177.57 177.61 1i3k h GLN 53 N 0.93 0.81 -0.15 1.57 4.15 -0.63 -1.05 115.11 120.75 1i3k h GLN 53 Ca 0.24 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1i3k h GLN 53 Cb 0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1i3k h GLN 53 CO -0.04 0.60 0.04 0.93 -1.93 0.00 0.00 178.83 178.43 1i3k h GLU 54 N 0.80 0.24 -0.71 1.69 5.08 -0.60 0.12 114.58 121.20 1i3k h GLU 54 Ca 0.21 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1i3k h GLU 54 Cb 0.01 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1i3k h GLU 54 CO -0.04 0.38 0.43 -0.07 -1.00 0.00 0.00 179.01 178.72 1i3k h LEU 55 N 0.05 0.69 0.00 1.33 3.38 -0.63 -3.09 115.31 117.04 1i3k h LEU 55 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1i3k h LEU 55 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1i3k h LEU 55 CO -0.00 0.47 -1.19 0.35 0.09 0.00 0.00 178.44 178.16 1i3k n THR 56 N -4.69 0.70 -1.15 0.22 -2.24 -0.42 -4.95 114.28 101.75 1i3k n THR 56 Ca 0.08 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.23 1i3k n THR 56 Cb 0.12 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 1i3k n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3k n GLY 57 N 1.24 0.77 3.31 3.38 0.00 0.41 -5.01 105.19 109.30 1i3k n GLY 57 Ca -0.03 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1i3k n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3k s ARG 58 N -2.16 1.62 0.34 1.61 0.52 -1.19 -5.05 118.95 114.65 1i3k s ARG 58 Ca 0.00 -1.05 -0.27 0.00 -0.52 0.00 0.00 55.73 53.90 1i3k s ARG 58 Cb 0.00 -1.78 -0.09 0.00 0.52 0.00 0.00 34.95 33.59 1i3k s ARG 58 CO 0.00 0.46 1.05 -1.54 0.02 0.00 0.00 175.30 175.28 1i3k s SER 59 N -1.24 7.07 -0.21 0.23 1.04 -1.26 -4.38 113.70 114.95 1i3k s SER 59 Ca 0.10 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.57 1i3k s SER 59 Cb -0.10 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 1i3k s SER 59 CO 0.02 -0.27 0.00 -0.69 0.98 0.00 0.00 173.24 173.28 1i3k s VAL 60 N -1.44 3.87 -0.28 5.02 1.01 -1.26 -4.95 120.40 122.37 1i3k s VAL 60 Ca 0.51 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 1i3k s VAL 60 Cb -0.25 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1i3k s VAL 60 CO 0.32 0.41 0.71 -1.61 0.00 0.00 0.00 175.10 174.93 1i3k s GLU 61 N 1.24 4.05 0.03 2.72 0.41 -1.26 -5.03 118.70 120.87 1i3k s GLU 61 Ca 0.03 0.59 0.02 0.00 -0.41 0.00 0.00 54.97 55.21 1i3k s GLU 61 Cb -0.15 -3.68 -0.02 0.00 -1.78 0.00 0.00 34.13 28.50 1i3k s GLU 61 CO 0.01 -0.53 -0.08 0.12 -0.49 0.00 0.00 175.26 174.29 1i3k s PHE 62 N 2.71 0.67 -0.03 1.61 5.36 -1.26 -0.00 117.98 127.03 1i3k s PHE 62 Ca 0.29 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1i3k s PHE 62 Cb -0.15 -0.40 0.03 0.00 -0.34 0.00 0.00 43.02 42.16 1i3k s PHE 62 CO 0.10 -0.06 0.05 -1.21 -1.46 0.00 0.00 175.22 172.64 1i3k s GLU 63 N -1.27 -0.04 -0.06 10.12 0.41 -0.34 -4.95 118.70 122.56 1i3k s GLU 63 Ca -0.07 0.26 -0.30 0.00 -0.41 0.00 0.00 54.97 54.45 1i3k s GLU 63 Cb -0.08 -0.31 -0.03 0.00 -1.78 0.00 0.00 34.13 31.93 1i3k s GLU 63 CO 0.00 -0.21 1.21 -2.00 -0.49 0.00 0.00 175.26 173.77 1i3k s GLU 64 N 1.39 4.34 -0.14 1.61 2.12 -1.26 -3.10 118.70 123.67 1i3k s GLU 64 Ca -0.05 1.68 -0.30 0.00 0.36 0.00 0.00 54.97 56.66 1i3k s GLU 64 Cb -0.13 -3.57 0.12 0.00 0.26 0.00 0.00 34.13 30.81 1i3k s GLU 64 CO -0.03 -0.47 0.95 1.41 -0.54 0.00 0.00 175.26 176.57 1i3k s MET 65 N 2.32 0.67 -0.14 4.30 1.75 -0.37 -4.91 119.30 122.91 1i3k s MET 65 Ca 0.56 0.14 -0.07 0.00 -1.25 0.00 0.00 55.69 55.06 1i3k s MET 65 Cb -0.25 0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 1i3k s MET 65 CO 0.21 -0.21 0.12 0.34 -0.65 0.00 0.00 175.02 174.83 1i3k s ASP 66 N -1.20 6.18 0.53 1.11 -1.08 -1.26 -2.81 116.67 118.13 1i3k s ASP 66 Ca -0.03 0.34 0.35 0.00 -0.52 0.00 0.00 52.55 52.70 1i3k s ASP 66 Cb -0.00 -2.02 1.74 0.00 -1.46 0.00 0.00 42.92 41.18 1i3k s ASP 66 CO 0.02 0.32 2.06 0.16 0.52 0.00 0.00 175.17 178.26 1i3k h ILE 67 N 4.26 0.00 0.00 4.11 3.07 -1.97 -0.85 117.51 126.13 1i3k h ILE 67 Ca -0.49 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1i3k h ILE 67 Cb 1.20 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1i3k h ILE 67 CO 0.64 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.92 1i3k n LEU 68 N -2.84 0.24 -4.49 0.16 4.77 -1.26 -4.60 117.00 108.99 1i3k n LEU 68 Ca -0.01 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 1i3k n LEU 68 Cb 0.15 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1i3k n LEU 68 CO 0.20 -0.11 1.09 -0.62 -1.33 0.00 0.00 177.39 176.62 1i3k s ASP 69 N -3.46 6.45 0.14 -1.43 -1.08 -0.33 -4.90 116.67 112.06 1i3k s ASP 69 Ca 0.12 -1.51 -0.22 0.00 -0.52 0.00 0.00 52.55 50.42 1i3k s ASP 69 Cb 0.15 -2.47 -0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1i3k s ASP 69 CO 0.50 -1.34 1.66 -0.61 0.52 0.00 0.00 175.17 175.90 1i3k h GLN 70 N 9.37 -0.17 -0.83 4.34 4.15 -1.85 -1.72 115.11 128.40 1i3k h GLN 70 Ca 0.03 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1i3k h GLN 70 Cb 1.03 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 1i3k h GLN 70 CO 1.23 -0.11 0.54 0.78 -1.93 0.00 0.00 178.83 179.33 1i3k h GLY 71 N -0.18 1.18 1.11 2.39 0.00 -1.98 -0.13 103.07 105.47 1i3k h GLY 71 Ca 0.11 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1i3k h GLY 71 CO -0.28 0.38 -0.04 0.00 0.00 0.00 0.00 176.54 176.59 1i3k h ALA 72 N 1.33 0.82 -0.36 3.60 0.00 -1.87 -1.08 119.26 121.69 1i3k h ALA 72 Ca 0.32 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1i3k h ALA 72 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1i3k h ALA 72 CO -0.09 0.67 -0.05 1.25 0.00 0.00 0.00 179.25 181.03 1i3k h LEU 73 N 0.95 0.67 -0.33 0.00 5.85 -1.09 -0.93 115.31 120.43 1i3k h LEU 73 Ca 0.16 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1i3k h LEU 73 Cb 0.61 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1i3k h LEU 73 CO 0.04 0.85 0.20 1.56 -0.34 0.00 0.00 178.44 180.75 1i3k h GLN 74 N 0.48 0.46 -0.96 1.25 4.20 -0.89 -1.15 115.11 118.49 1i3k h GLN 74 Ca 0.10 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1i3k h GLN 74 Cb 0.54 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1i3k h GLN 74 CO 0.03 0.36 0.63 0.00 -0.67 0.00 0.00 178.83 179.17 1i3k h ARG 75 N 0.43 1.12 -0.30 1.46 3.08 -1.04 -0.93 114.38 118.20 1i3k h ARG 75 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1i3k h ARG 75 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1i3k h ARG 75 CO -0.02 0.74 0.17 1.25 -1.07 0.00 0.00 179.97 181.04 1i3k h LEU 76 N 1.16 0.38 -1.54 3.04 5.85 -0.58 0.15 115.31 123.77 1i3k h LEU 76 Ca 0.40 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 1i3k h LEU 76 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1i3k h LEU 76 CO -0.14 0.36 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.83 1i3k h PHE 77 N 0.37 0.00 0.01 1.25 -1.00 -0.88 -1.94 116.94 114.75 1i3k h PHE 77 Ca 0.11 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.62 1i3k h PHE 77 Cb 0.06 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.64 1i3k h PHE 77 CO -0.03 0.22 -1.06 -0.22 -1.61 0.00 0.00 178.31 175.61 1i3k h LYS 78 N 0.00 0.70 -0.42 1.51 3.64 -0.53 -3.33 116.57 118.14 1i3k h LYS 78 Ca -0.00 -0.77 -0.10 0.00 -1.27 0.00 0.00 60.65 58.50 1i3k h LYS 78 Cb 0.52 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1i3k h LYS 78 CO 0.03 1.34 -0.14 -0.22 -2.27 0.00 0.00 179.45 178.18 1i3k h LYS 79 N 0.39 0.84 -6.09 1.90 3.64 -0.35 -3.45 116.57 113.45 1i3k h LYS 79 Ca -0.13 -0.34 -0.53 0.00 -1.27 0.00 0.00 60.65 58.37 1i3k h LYS 79 Cb 1.71 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.43 1i3k h LYS 79 CO 0.21 0.98 -0.49 0.71 -2.27 0.00 0.00 179.45 178.59 1i3k s TYR 80 N -4.73 2.72 -0.55 1.91 2.02 -0.76 -5.07 117.35 112.89 1i3k s TYR 80 Ca -0.12 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1i3k s TYR 80 Cb 0.11 -1.81 0.14 0.00 -0.40 0.00 0.00 41.96 40.00 1i3k s TYR 80 CO 0.84 0.21 0.36 -1.12 -1.57 0.00 0.00 175.55 174.27 1i3k s SER 81 N -3.93 5.28 0.13 2.29 0.01 -1.26 -4.75 113.70 111.47 1i3k s SER 81 Ca 0.41 -2.55 -0.22 0.00 1.31 0.00 0.00 55.95 54.90 1i3k s SER 81 Cb -0.02 -1.86 -0.07 0.00 0.21 0.00 0.00 66.02 64.28 1i3k s SER 81 CO 0.24 -0.44 0.68 -0.36 0.41 0.00 0.00 173.24 173.77 1i3k s PHE 82 N 0.38 3.83 -0.46 2.43 2.99 -1.26 -1.85 117.98 124.04 1i3k s PHE 82 Ca 0.14 1.44 0.22 0.00 0.00 0.00 0.00 56.93 58.72 1i3k s PHE 82 Cb -0.21 -2.62 -0.18 0.00 0.00 0.00 0.00 43.02 40.01 1i3k s PHE 82 CO -0.04 0.52 0.78 0.00 -0.00 0.00 0.00 175.22 176.49 1i3k n MET 83 N 1.52 0.38 -3.54 0.44 0.00 0.16 -4.83 117.12 111.25 1i3k n MET 83 Ca -0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 57.70 57.47 1i3k n MET 83 Cb 0.50 -1.55 -0.02 0.00 0.00 0.00 0.00 33.22 32.15 1i3k n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3k s ALA 84 N -3.28 -1.76 -0.05 3.17 0.00 -1.23 -4.55 121.76 114.06 1i3k s ALA 84 Ca -0.00 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1i3k s ALA 84 Cb 0.14 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1i3k s ALA 84 CO 0.86 -0.76 -0.13 0.08 0.00 0.00 0.00 175.76 175.81 1i3k s VAL 85 N -3.24 1.14 -0.31 0.00 1.01 -0.79 -1.50 120.40 116.72 1i3k s VAL 85 Ca 0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1i3k s VAL 85 Cb -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1i3k s VAL 85 CO -0.08 0.35 0.05 -0.63 0.00 0.00 0.00 175.10 174.79 1i3k s ILE 86 N 0.39 3.53 -0.71 2.22 1.01 0.36 -0.81 121.20 127.19 1i3k s ILE 86 Ca -0.09 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 1i3k s ILE 86 Cb -0.13 -2.93 0.18 0.00 0.01 0.00 0.00 42.46 39.59 1i3k s ILE 86 CO 0.03 -0.05 0.67 -2.28 0.00 0.00 0.00 174.94 173.31 1i3k s HIS 87 N 1.38 3.53 -0.07 3.97 2.46 -0.07 -1.12 115.29 125.37 1i3k s HIS 87 Ca -0.01 -1.68 0.21 0.00 0.47 0.00 0.00 55.06 54.05 1i3k s HIS 87 Cb -0.19 -3.83 -0.29 0.00 -0.13 0.00 0.00 32.58 28.14 1i3k s HIS 87 CO 0.01 -1.02 0.49 1.19 -2.47 0.00 0.00 174.74 172.94 1i3k n PHE 88 N 4.58 0.11 -1.70 3.88 3.72 -0.82 -2.74 117.46 124.50 1i3k n PHE 88 Ca 0.02 0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 1i3k n PHE 88 Cb 0.44 -0.62 -0.03 0.00 -0.94 0.00 0.00 39.48 38.33 1i3k n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3k n ALA 89 N -2.32 2.33 0.00 4.37 0.00 -1.09 -4.78 120.51 119.03 1i3k n ALA 89 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1i3k n ALA 89 Cb 0.65 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1i3k n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3k n GLY 90 N 3.69 -0.30 3.86 0.00 0.00 -1.26 -4.93 105.19 106.25 1i3k n GLY 90 Ca 0.16 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 1i3k n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3k s LEU 91 N 0.00 4.41 0.52 0.99 1.43 -1.26 -5.03 118.68 119.74 1i3k s LEU 91 Ca 0.00 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1i3k s LEU 91 Cb 0.00 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1i3k s LEU 91 CO 0.00 0.31 0.06 -1.59 0.23 0.00 0.00 176.35 175.36 1i3k s LYS 92 N -1.34 2.21 -0.04 1.70 -2.85 -1.26 -4.96 119.74 113.20 1i3k s LYS 92 Ca 0.23 -2.36 0.04 0.00 -1.00 0.00 0.00 55.97 52.88 1i3k s LYS 92 Cb -0.14 -1.61 -0.03 0.00 -2.06 0.00 0.00 37.83 34.00 1i3k s LYS 92 CO 0.12 -0.41 -0.14 0.00 0.10 0.00 0.00 175.35 175.02 1i3k s ALA 93 N -2.87 2.69 -0.36 0.59 0.00 -1.26 -4.83 121.76 115.72 1i3k s ALA 93 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1i3k s ALA 93 Cb 0.01 -0.97 0.50 0.00 0.00 0.00 0.00 23.12 22.66 1i3k s ALA 93 CO 0.05 0.56 1.73 -0.12 0.00 0.00 0.00 175.76 177.98 1i3k n MET 94 N 2.21 1.99 -1.21 0.00 1.56 -1.26 -4.69 117.12 115.71 1i3k n MET 94 Ca -0.17 -2.33 -0.07 0.00 -0.27 0.00 0.00 57.70 54.85 1i3k n MET 94 Cb 0.52 -1.91 -0.03 0.00 2.15 0.00 0.00 33.22 33.95 1i3k n MET 94 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i3k n GLY 95 N -0.74 0.94 0.15 -5.12 0.00 -1.26 -4.93 105.19 94.23 1i3k n GLY 95 Ca 0.46 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1i3k n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3k h GLU 96 N 0.07 0.46 -0.79 1.61 5.08 -1.90 -3.41 114.58 115.71 1i3k h GLU 96 Ca -0.15 -0.79 0.12 0.00 -1.00 0.00 0.00 59.36 57.54 1i3k h GLU 96 Cb 0.53 0.30 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 1i3k h GLU 96 CO 0.22 1.38 -0.31 -1.13 -1.00 0.00 0.00 179.01 178.17 1i3k n SER 97 N -3.65 -0.51 -0.14 1.42 3.41 -1.26 -0.02 113.62 112.87 1i3k n SER 97 Ca -0.21 1.38 0.21 0.00 -0.26 0.00 0.00 58.87 59.98 1i3k n SER 97 Cb 1.09 -0.32 0.61 0.00 -0.26 0.00 0.00 64.21 65.33 1i3k n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3k h VAL 98 N 0.00 0.69 0.00 -3.33 2.07 -1.96 -1.73 116.25 112.00 1i3k h VAL 98 Ca 0.27 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.61 1i3k h VAL 98 Cb 0.47 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1i3k h VAL 98 CO -0.78 0.04 -1.19 1.56 0.02 0.00 0.00 177.57 177.21 1i3k h GLN 99 N 0.21 0.00 -2.17 1.57 1.08 -0.74 -3.40 115.11 111.66 1i3k h GLN 99 Ca 0.38 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.02 1i3k h GLN 99 Cb 1.17 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.19 1i3k h GLN 99 CO -0.08 0.21 -0.83 1.63 -0.95 0.00 0.00 178.83 178.81 1i3k n LYS 100 N -2.86 2.32 -0.23 1.46 5.02 -0.67 -4.94 118.16 118.26 1i3k n LYS 100 Ca -0.06 -4.29 0.03 0.00 -2.02 0.00 0.00 58.31 51.97 1i3k n LYS 100 Cb 0.74 -2.02 0.15 0.00 -0.02 0.00 0.00 35.03 33.88 1i3k n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1i3k h PRO 101 N 3.17 0.39 0.00 1.97 0.13 -1.72 -1.80 132.00 134.14 1i3k h PRO 101 Ca 0.12 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1i3k h PRO 101 Cb 0.68 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1i3k h PRO 101 CO 0.70 0.26 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.61 1i3k h LEU 102 N 0.40 0.00 -0.50 1.56 3.38 -1.92 0.10 115.31 118.33 1i3k h LEU 102 Ca 0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.19 1i3k h LEU 102 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1i3k h LEU 102 CO -0.38 0.04 -0.33 0.44 0.09 0.00 0.00 178.44 178.30 1i3k h ASP 103 N 0.00 0.91 -0.19 -0.43 3.45 -1.72 0.23 116.42 118.67 1i3k h ASP 103 Ca -0.00 -0.39 -0.06 0.00 0.43 0.00 0.00 57.03 57.01 1i3k h ASP 103 Cb 0.08 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1i3k h ASP 103 CO 0.01 1.16 -0.13 1.88 -1.57 0.00 0.00 179.24 180.59 1i3k h TYR 104 N 0.72 0.50 -0.85 4.55 -1.99 -1.24 -0.70 116.97 117.97 1i3k h TYR 104 Ca 0.07 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1i3k h TYR 104 Cb 0.90 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.48 1i3k h TYR 104 CO 0.05 0.75 0.40 1.88 -0.00 0.00 0.00 178.16 181.24 1i3k h TYR 105 N 0.11 1.22 0.44 4.88 0.99 -0.96 0.40 116.97 124.06 1i3k h TYR 105 Ca 0.04 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1i3k h TYR 105 Cb 0.63 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.99 1i3k h TYR 105 CO 0.07 0.89 -0.21 -0.09 -0.00 0.00 0.00 178.16 178.81 1i3k h ARG 106 N 1.21 -0.57 0.16 4.88 2.43 -0.89 -0.38 114.38 121.22 1i3k h ARG 106 Ca 0.29 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1i3k h ARG 106 Cb 0.13 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1i3k h ARG 106 CO -0.04 -0.33 -0.08 0.28 -1.51 0.00 0.00 179.97 178.30 1i3k h VAL 107 N -1.11 0.91 0.11 0.20 2.07 -1.15 -1.28 116.25 116.01 1i3k h VAL 107 Ca -0.06 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1i3k h VAL 107 Cb 0.51 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1i3k h VAL 107 CO 0.10 0.07 -0.05 0.78 0.02 0.00 0.00 177.57 178.49 1i3k h ASN 108 N -0.36 -0.12 0.26 0.57 2.35 -1.07 -3.00 115.58 114.20 1i3k h ASN 108 Ca -0.02 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 1i3k h ASN 108 Cb 0.29 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1i3k h ASN 108 CO 0.04 0.50 -0.12 0.25 -1.65 0.00 0.00 177.43 176.44 1i3k h LEU 109 N -0.93 -0.29 -1.38 1.61 5.85 -1.39 -2.10 115.31 116.67 1i3k h LEU 109 Ca -0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1i3k h LEU 109 Cb 0.50 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1i3k h LEU 109 CO 0.02 -0.07 0.06 0.71 -0.34 0.00 0.00 178.44 178.83 1i3k h THR 110 N -0.63 1.16 -0.72 1.05 1.35 -0.73 -0.33 112.91 114.07 1i3k h THR 110 Ca -0.04 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1i3k h THR 110 Cb 0.27 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1i3k h THR 110 CO 0.06 0.21 0.36 1.23 -0.25 0.00 0.00 175.52 177.13 1i3k h GLY 111 N 0.72 1.09 1.52 5.82 0.00 -1.09 -1.03 103.07 110.10 1i3k h GLY 111 Ca 0.11 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 1i3k h GLY 111 CO -0.00 0.50 -0.67 -0.84 0.00 0.00 0.00 176.54 175.53 1i3k h THR 112 N 1.00 1.35 -0.50 4.70 2.02 -0.73 -1.65 112.91 119.09 1i3k h THR 112 Ca 0.25 -2.01 0.01 0.00 0.77 0.00 0.00 66.41 65.43 1i3k h THR 112 Cb 0.09 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1i3k h THR 112 CO -0.03 0.61 0.32 0.40 0.37 0.00 0.00 175.52 177.19 1i3k h ILE 113 N 0.35 1.11 -0.55 3.11 2.04 -0.73 0.11 117.51 122.94 1i3k h ILE 113 Ca -0.02 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1i3k h ILE 113 Cb 1.24 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1i3k h ILE 113 CO 0.12 0.12 0.34 -0.61 0.00 0.00 0.00 178.15 178.12 1i3k h GLN 114 N 0.66 0.74 -0.31 2.37 4.15 -1.12 -0.26 115.11 121.34 1i3k h GLN 114 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1i3k h GLN 114 Cb -0.05 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1i3k h GLN 114 CO -0.06 0.53 0.20 1.25 -1.93 0.00 0.00 178.83 178.83 1i3k h LEU 115 N 0.74 0.36 -0.75 -2.39 5.85 -0.85 -0.38 115.31 117.90 1i3k h LEU 115 Ca 0.20 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1i3k h LEU 115 Cb -0.03 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1i3k h LEU 115 CO -0.04 0.27 0.48 -0.07 -0.34 0.00 0.00 178.44 178.75 1i3k h LEU 116 N 0.42 0.87 -0.41 2.25 3.38 -0.57 0.14 115.31 121.38 1i3k h LEU 116 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i3k h LEU 116 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1i3k h LEU 116 CO -0.02 0.64 0.23 -0.33 0.09 0.00 0.00 178.44 179.05 1i3k h GLU 117 N 1.01 0.57 -0.58 1.13 5.08 -0.77 0.33 114.58 121.36 1i3k h GLU 117 Ca 0.27 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1i3k h GLU 117 Cb -0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1i3k h GLU 117 CO -0.06 0.46 0.07 0.82 -1.00 0.00 0.00 179.01 179.30 1i3k h ILE 118 N 0.53 1.25 0.59 3.13 2.04 -0.73 -0.77 117.51 123.56 1i3k h ILE 118 Ca 0.15 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1i3k h ILE 118 Cb 0.05 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1i3k h ILE 118 CO -0.02 0.36 -0.28 0.24 0.00 0.00 0.00 178.15 178.45 1i3k h MET 119 N 0.89 -0.76 -0.39 2.37 2.86 -0.52 -1.65 114.93 117.74 1i3k h MET 119 Ca 0.18 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.95 1i3k h MET 119 Cb 0.42 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 1i3k h MET 119 CO 0.01 -0.49 -0.11 -0.22 1.06 0.00 0.00 176.91 177.16 1i3k h LYS 120 N -0.83 -0.02 -0.05 1.72 3.64 -0.73 0.26 116.57 120.56 1i3k h LYS 120 Ca -0.08 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1i3k h LYS 120 Cb 0.62 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1i3k h LYS 120 CO 0.13 -0.01 0.04 0.00 -2.27 0.00 0.00 179.45 177.34 1i3k h ALA 121 N 1.35 1.99 -0.57 5.00 0.00 -1.06 -0.85 119.26 125.12 1i3k h ALA 121 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i3k h ALA 121 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i3k h ALA 121 CO -0.41 -0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.50 1i3k n HIS 122 N -4.43 0.76 -1.99 0.00 8.25 -0.54 -4.94 115.22 112.33 1i3k n HIS 122 Ca -0.02 -0.38 -0.10 0.00 -0.26 0.00 0.00 57.72 56.96 1i3k n HIS 122 Cb 0.14 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 1i3k n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3k n GLY 123 N 1.47 0.23 3.27 -1.41 0.00 -0.32 -5.00 105.19 103.43 1i3k n GLY 123 Ca 0.20 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1i3k n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3k s VAL 124 N -2.49 3.83 -0.25 1.61 1.01 -0.03 -4.97 120.40 119.12 1i3k s VAL 124 Ca 0.00 -1.17 0.12 0.00 0.00 0.00 0.00 61.98 60.93 1i3k s VAL 124 Cb 0.00 -3.20 0.46 0.00 0.00 0.00 0.00 36.38 33.64 1i3k s VAL 124 CO 0.00 -0.22 1.18 0.29 0.00 0.00 0.00 175.10 176.35 1i3k n LYS 125 N 4.82 2.59 -3.99 2.72 5.02 -1.26 -3.86 118.16 124.21 1i3k n LYS 125 Ca -0.12 -3.72 -0.30 0.00 -2.02 0.00 0.00 58.31 52.16 1i3k n LYS 125 Cb 0.44 -1.86 -0.16 0.00 -0.02 0.00 0.00 35.03 33.43 1i3k n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3k s ASN 126 N -3.45 2.88 0.04 4.39 0.01 -1.25 -1.07 114.94 116.48 1i3k s ASN 126 Ca 0.43 -0.62 0.02 0.00 -0.71 0.00 0.00 52.86 51.98 1i3k s ASN 126 Cb 0.38 -1.13 -0.02 0.00 0.41 0.00 0.00 41.25 40.89 1i3k s ASN 126 CO -0.01 -0.10 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.17 1i3k s LEU 127 N 1.50 2.22 -0.17 0.60 2.96 -0.39 -1.88 118.68 123.51 1i3k s LEU 127 Ca 0.03 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1i3k s LEU 127 Cb -0.14 -0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.36 1i3k s LEU 127 CO -0.09 -0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.95 1i3k s VAL 128 N -1.17 1.74 -0.11 1.68 1.01 0.01 -0.47 120.40 123.10 1i3k s VAL 128 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1i3k s VAL 128 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1i3k s VAL 128 CO 0.00 0.40 -0.10 0.12 0.00 0.00 0.00 175.10 175.52 1i3k s PHE 129 N 1.40 2.86 -0.71 5.22 2.19 -0.22 -0.89 117.98 127.83 1i3k s PHE 129 Ca 0.03 -0.33 -0.27 0.00 0.33 0.00 0.00 56.93 56.69 1i3k s PHE 129 Cb -0.14 -1.80 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 1i3k s PHE 129 CO -0.11 0.02 1.38 -1.12 1.83 0.00 0.00 175.22 177.23 1i3k s SER 130 N -0.12 6.02 0.04 6.13 0.01 -1.11 -1.79 113.70 122.88 1i3k s SER 130 Ca -0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1i3k s SER 130 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1i3k s SER 130 CO 0.03 -1.91 0.04 -0.24 0.41 0.00 0.00 173.24 171.57 1i3k n SER 131 N 9.92 0.47 -3.69 2.44 2.88 0.17 -4.96 113.62 120.85 1i3k n SER 131 Ca 0.06 -1.10 -0.12 0.00 -1.33 0.00 0.00 58.87 56.38 1i3k n SER 131 Cb 0.50 -0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 1i3k n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3k s SER 132 N -1.21 -0.24 0.28 -3.46 0.15 -1.26 -2.22 113.70 105.73 1i3k s SER 132 Ca 0.03 -0.04 0.20 0.00 0.70 0.00 0.00 55.95 56.84 1i3k s SER 132 Cb -0.00 0.40 1.04 0.00 -1.71 0.00 0.00 66.02 65.75 1i3k s SER 132 CO 0.02 -0.64 1.62 0.00 1.20 0.00 0.00 173.24 175.44 1i3k n ALA 133 N 0.56 1.17 0.28 5.45 0.00 -0.26 -1.86 120.51 125.84 1i3k n ALA 133 Ca -0.19 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1i3k n ALA 133 Cb 0.59 -1.31 0.82 0.00 0.00 0.00 0.00 19.45 19.56 1i3k n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i3k h THR 134 N 0.00 0.41 0.00 0.00 1.35 -1.93 -2.17 112.91 110.57 1i3k h THR 134 Ca 0.00 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1i3k h THR 134 Cb 0.08 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1i3k h THR 134 CO 0.00 0.07 -0.00 -0.37 -0.25 0.00 0.00 175.52 174.97 1i3k h VAL 135 N 0.00 0.02 0.00 6.82 -1.51 -1.64 -1.00 116.25 118.94 1i3k h VAL 135 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1i3k h VAL 135 Cb 0.27 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1i3k h VAL 135 CO 0.01 0.00 0.00 1.88 -1.23 0.00 0.00 177.57 178.23 1i3k h TYR 136 N 0.00 0.00 -0.41 5.19 -1.99 -1.60 0.25 116.97 118.40 1i3k h TYR 136 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i3k h TYR 136 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 1i3k h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3k n GLY 137 N 0.68 -0.37 3.64 3.88 0.00 -0.38 -4.59 105.19 108.05 1i3k n GLY 137 Ca 0.03 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1i3k n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3k s ASN 138 N -4.00 6.42 0.15 1.61 3.04 -1.26 -4.89 114.94 116.01 1i3k s ASN 138 Ca 0.00 2.05 -0.34 0.00 0.04 0.00 0.00 52.86 54.61 1i3k s ASN 138 Cb 0.00 -2.53 -0.16 0.00 -1.54 0.00 0.00 41.25 37.02 1i3k s ASN 138 CO 0.00 -1.16 1.29 -2.65 -3.04 0.00 0.00 177.10 171.54 1i3k n PRO 139 N 7.53 1.34 0.03 0.43 -0.02 -1.26 -4.86 135.00 138.19 1i3k n PRO 139 Ca 0.19 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1i3k n PRO 139 Cb 0.44 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1i3k n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i3k n GLN 140 N 2.20 0.36 -3.65 -0.52 6.02 -1.26 -4.95 117.38 115.57 1i3k n GLN 140 Ca 0.16 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1i3k n GLN 140 Cb 0.24 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1i3k n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1i3k s TYR 141 N -3.25 -0.29 0.02 1.08 1.13 -1.26 -5.18 117.35 109.60 1i3k s TYR 141 Ca 0.02 -0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1i3k s TYR 141 Cb 0.14 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.59 1i3k s TYR 141 CO 0.82 -0.89 -0.03 -0.51 -2.51 0.00 0.00 175.55 172.43 1i3k s LEU 142 N -2.80 2.27 0.90 -3.49 1.43 -1.26 -4.34 118.68 111.40 1i3k s LEU 142 Ca 0.08 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1i3k s LEU 142 Cb -0.02 0.10 0.13 0.00 0.03 0.00 0.00 46.19 46.43 1i3k s LEU 142 CO -0.02 -0.33 1.11 -2.16 0.23 0.00 0.00 176.35 175.17 1i3k s PRO 143 N -1.76 1.21 -0.40 1.29 0.04 -1.26 -5.08 135.00 129.03 1i3k s PRO 143 Ca -0.13 0.54 -0.25 0.00 0.04 0.00 0.00 61.00 61.20 1i3k s PRO 143 Cb -0.08 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1i3k s PRO 143 CO -0.02 -2.20 0.90 -0.51 0.04 0.00 0.00 177.00 175.20 1i3k s LEU 144 N -6.12 4.03 0.39 -3.56 1.43 -0.36 -4.74 118.68 109.74 1i3k s LEU 144 Ca 0.63 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 1i3k s LEU 144 Cb -0.16 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 1i3k s LEU 144 CO 0.55 -0.90 0.51 1.51 0.23 0.00 0.00 176.35 178.26 1i3k s ASP 145 N 2.00 5.69 0.60 2.29 -4.77 -1.26 -1.11 116.67 120.11 1i3k s ASP 145 Ca 0.36 -0.38 0.31 0.00 -3.30 0.00 0.00 52.55 49.55 1i3k s ASP 145 Cb -0.12 -0.85 1.88 0.00 -1.09 0.00 0.00 42.92 42.74 1i3k s ASP 145 CO 0.21 -0.63 2.26 -0.33 0.70 0.00 0.00 175.17 177.38 1i3k h GLU 146 N 0.78 0.00 0.00 2.11 3.07 -1.94 -0.85 114.58 117.76 1i3k h GLU 146 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1i3k h GLU 146 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1i3k h GLU 146 CO 0.49 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.10 1i3k n ALA 147 N -2.29 2.06 -1.76 3.43 0.00 -1.26 -4.84 120.51 115.84 1i3k n ALA 147 Ca -0.03 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1i3k n ALA 147 Cb 0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1i3k n ALA 147 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1i3k n HIS 148 N -2.09 2.91 -1.58 0.00 -0.00 -0.33 -4.88 115.22 109.25 1i3k n HIS 148 Ca 0.05 0.40 -0.41 0.00 -0.00 0.00 0.00 57.72 57.75 1i3k n HIS 148 Cb 0.34 -2.54 0.01 0.00 -0.00 0.00 0.00 29.99 27.80 1i3k n HIS 148 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1i3k n PRO 149 N 0.94 1.20 -4.42 1.57 -0.02 -1.26 -4.96 135.00 128.05 1i3k n PRO 149 Ca 0.04 0.43 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 1i3k n PRO 149 Cb 0.38 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 1i3k n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3k s THR 150 N -1.31 2.31 0.00 3.45 -4.23 -1.26 -4.45 115.64 110.15 1i3k s THR 150 Ca 0.64 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1i3k s THR 150 Cb -0.56 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1i3k s THR 150 CO 0.56 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1i3k n GLY 151 N 0.22 1.72 2.05 3.99 0.00 0.87 -4.97 105.19 109.08 1i3k n GLY 151 Ca -0.12 -1.95 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1i3k n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3k n GLY 152 N 1.95 0.51 3.74 -0.02 0.00 -1.26 -4.52 105.19 105.59 1i3k n GLY 152 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1i3k n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k h THR 154 N -0.24 1.58 -2.66 0.00 2.02 -1.94 -3.46 112.91 108.20 1i3k h THR 154 Ca -0.47 -3.05 -0.51 0.00 0.77 0.00 0.00 66.41 63.15 1i3k h THR 154 Cb 1.28 2.76 -0.14 0.00 -1.74 0.00 0.00 68.15 70.31 1i3k h THR 154 CO 0.51 0.88 -0.58 0.54 0.37 0.00 0.00 175.52 177.25 1i3k s ASN 155 N -6.92 2.57 0.44 4.18 2.20 -1.26 -5.02 114.94 111.14 1i3k s ASN 155 Ca -0.02 -1.48 0.11 0.00 -0.94 0.00 0.00 52.86 50.54 1i3k s ASN 155 Cb 0.09 0.11 0.99 0.00 -2.00 0.00 0.00 41.25 40.45 1i3k s ASN 155 CO 0.84 -0.71 2.05 -0.65 -2.94 0.00 0.00 177.10 175.69 1i3k h PRO 156 N 1.98 0.23 -0.07 3.55 0.11 -1.92 -0.01 132.00 135.87 1i3k h PRO 156 Ca -0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1i3k h PRO 156 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i3k h PRO 156 CO 0.66 0.23 0.02 -0.92 -0.21 0.00 0.00 178.00 177.77 1i3k h TYR 157 N 0.23 0.11 -0.52 0.65 5.03 -1.95 -0.49 116.97 120.02 1i3k h TYR 157 Ca 0.06 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.27 1i3k h TYR 157 Cb 0.11 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1i3k h TYR 157 CO 0.00 0.30 -0.01 0.78 -1.32 0.00 0.00 178.16 177.91 1i3k h GLY 158 N -0.11 0.96 1.30 1.82 0.00 -1.81 -2.30 103.07 102.94 1i3k h GLY 158 Ca 0.02 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1i3k h GLY 158 CO 0.00 0.62 -0.03 0.50 0.00 0.00 0.00 176.54 177.63 1i3k h LYS 159 N 0.82 0.84 -0.95 4.80 1.57 -0.94 -1.34 116.57 121.38 1i3k h LYS 159 Ca 0.15 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1i3k h LYS 159 Cb 0.51 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1i3k h LYS 159 CO 0.03 0.86 0.62 0.66 -0.57 0.00 0.00 179.45 181.05 1i3k h SER 160 N 0.77 1.04 -0.47 0.86 4.64 -0.64 0.22 113.55 119.98 1i3k h SER 160 Ca 0.14 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1i3k h SER 160 Cb 0.51 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1i3k h SER 160 CO 0.03 0.72 0.08 0.11 -0.87 0.00 0.00 176.83 176.90 1i3k h LYS 161 N 1.21 0.78 -0.19 4.77 1.79 -0.93 -1.94 116.57 122.07 1i3k h LYS 161 Ca 0.37 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1i3k h LYS 161 Cb -0.03 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1i3k h LYS 161 CO -0.11 0.79 0.07 0.35 -1.08 0.00 0.00 179.45 179.47 1i3k h PHE 162 N 0.65 0.30 -0.94 -1.35 3.57 -0.53 -0.96 116.94 117.68 1i3k h PHE 162 Ca 0.14 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1i3k h PHE 162 Cb 0.38 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1i3k h PHE 162 CO 0.03 0.35 0.62 0.74 -2.23 0.00 0.00 178.31 177.83 1i3k h PHE 163 N 0.15 1.18 -0.40 0.41 0.04 -0.51 -0.52 116.94 117.30 1i3k h PHE 163 Ca 0.06 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1i3k h PHE 163 Cb 0.19 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1i3k h PHE 163 CO -0.01 0.74 0.16 0.82 -0.60 0.00 0.00 178.31 179.42 1i3k h ILE 164 N 1.27 1.20 -0.29 -0.55 2.04 -1.09 -0.00 117.51 120.08 1i3k h ILE 164 Ca 0.35 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1i3k h ILE 164 Cb -0.13 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1i3k h ILE 164 CO -0.08 0.22 0.04 -0.33 0.00 0.00 0.00 178.15 178.00 1i3k h GLU 165 N 0.50 0.14 -0.60 2.37 5.08 -0.48 -1.21 114.58 120.37 1i3k h GLU 165 Ca 0.13 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1i3k h GLU 165 Cb 0.19 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1i3k h GLU 165 CO -0.01 0.09 0.34 0.93 -1.00 0.00 0.00 179.01 179.36 1i3k h GLU 166 N 0.14 0.63 -0.55 2.33 4.39 -0.81 0.31 114.58 121.02 1i3k h GLU 166 Ca 0.14 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1i3k h GLU 166 Cb 0.16 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1i3k h GLU 166 CO -0.20 0.42 0.35 0.52 -1.16 0.00 0.00 179.01 178.94 1i3k h MET 167 N 0.65 0.74 -0.68 2.33 2.86 -0.39 -2.11 114.93 118.33 1i3k h MET 167 Ca 0.26 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1i3k h MET 167 Cb 0.12 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1i3k h MET 167 CO -0.15 0.52 0.16 0.82 1.06 0.00 0.00 176.91 179.32 1i3k h ILE 168 N 0.75 1.26 -0.67 -1.22 2.04 -0.69 -1.31 117.51 117.67 1i3k h ILE 168 Ca 0.20 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1i3k h ILE 168 Cb -0.05 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1i3k h ILE 168 CO -0.04 0.37 0.42 0.03 0.00 0.00 0.00 178.15 178.93 1i3k h ARG 169 N 1.02 0.81 -0.60 2.37 3.08 -0.65 -0.61 114.38 119.81 1i3k h ARG 169 Ca 0.21 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1i3k h ARG 169 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1i3k h ARG 169 CO 0.00 0.54 0.00 -0.44 -1.07 0.00 0.00 179.97 179.01 1i3k h ASP 170 N 0.84 1.03 -0.54 7.04 3.45 -1.15 -1.04 116.42 126.04 1i3k h ASP 170 Ca 0.26 -0.30 0.02 0.00 0.43 0.00 0.00 57.03 57.44 1i3k h ASP 170 Cb -0.01 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.45 1i3k h ASP 170 CO -0.09 1.08 0.33 0.25 -1.57 0.00 0.00 179.24 179.24 1i3k h LEU 171 N 0.95 0.54 -1.00 1.55 5.85 -0.89 0.34 115.31 122.64 1i3k h LEU 171 Ca 0.17 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1i3k h LEU 171 Cb 0.55 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1i3k h LEU 171 CO 0.03 0.38 -0.36 0.00 -0.34 0.00 0.00 178.44 178.15 1i3k h GLN 173 N 0.23 0.72 -0.10 0.00 5.75 -0.64 -3.18 115.11 117.90 1i3k h GLN 173 Ca 0.03 -0.18 -0.20 0.00 -0.15 0.00 0.00 58.65 58.15 1i3k h GLN 173 Cb 0.74 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1i3k h GLN 173 CO 0.06 0.73 -0.76 0.00 -2.65 0.00 0.00 178.83 176.21 1i3k h ALA 174 N 0.96 0.49 -3.53 3.38 0.00 -0.66 -3.41 119.26 116.49 1i3k h ALA 174 Ca 0.14 -0.61 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 1i3k h ALA 174 Cb 0.35 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.71 1i3k h ALA 174 CO 0.00 0.74 -0.77 0.34 0.00 0.00 0.00 179.25 179.57 1i3k s ASP 175 N -7.03 3.99 0.00 0.00 3.68 -0.49 -4.98 116.67 111.85 1i3k s ASP 175 Ca -0.07 -1.42 0.12 0.00 2.13 0.00 0.00 52.55 53.31 1i3k s ASP 175 Cb 0.10 -1.16 0.57 0.00 -1.45 0.00 0.00 42.92 40.98 1i3k s ASP 175 CO 0.86 -0.30 1.35 0.29 0.13 0.00 0.00 175.17 177.50 1i3k n LYS 176 N 4.66 0.09 0.06 4.34 4.76 -1.24 -2.38 118.16 128.45 1i3k n LYS 176 Ca -0.07 0.23 0.13 0.00 -2.87 0.00 0.00 58.31 55.74 1i3k n LYS 176 Cb 0.43 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.60 1i3k n LYS 176 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1i3k n THR 177 N -1.40 0.37 -2.79 -0.18 -2.24 -1.26 -4.82 114.28 101.96 1i3k n THR 177 Ca 0.04 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 1i3k n THR 177 Cb 0.12 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1i3k n THR 177 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1i3k s TRP 178 N -3.06 3.66 -0.07 4.78 0.52 -1.00 -4.91 118.94 118.85 1i3k s TRP 178 Ca 0.12 1.76 0.02 0.00 0.02 0.00 0.00 56.10 58.02 1i3k s TRP 178 Cb 0.15 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.57 1i3k s TRP 178 CO 0.58 0.19 -0.13 -0.80 0.02 0.00 0.00 176.95 176.80 1i3k s ASN 179 N -1.67 1.92 -0.13 2.95 0.01 -0.24 -4.02 114.94 113.77 1i3k s ASN 179 Ca 0.51 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 52.27 1i3k s ASN 179 Cb -0.18 -0.88 0.05 0.00 0.41 0.00 0.00 41.25 40.65 1i3k s ASN 179 CO 0.23 0.03 0.30 0.68 -1.51 0.00 0.00 177.10 176.82 1i3k s VAL 180 N 0.73 -0.04 -0.25 1.60 -7.23 0.14 -1.27 120.40 114.07 1i3k s VAL 180 Ca -0.13 0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1i3k s VAL 180 Cb -0.16 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.34 1i3k s VAL 180 CO 0.03 0.05 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.17 1i3k s VAL 181 N 1.33 3.30 -0.29 1.32 1.01 0.38 -0.77 120.40 126.69 1i3k s VAL 181 Ca -0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1i3k s VAL 181 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1i3k s VAL 181 CO -0.10 0.22 0.34 -0.76 0.00 0.00 0.00 175.10 174.81 1i3k s LEU 182 N 1.41 4.13 -0.29 3.92 1.43 0.09 -1.05 118.68 128.31 1i3k s LEU 182 Ca 0.02 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1i3k s LEU 182 Cb -0.16 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1i3k s LEU 182 CO -0.02 -0.20 0.07 -0.76 0.23 0.00 0.00 176.35 175.66 1i3k s LEU 183 N 2.02 3.75 -0.73 1.79 1.43 -0.74 -0.83 118.68 125.37 1i3k s LEU 183 Ca 0.13 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 1i3k s LEU 183 Cb -0.16 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.29 1i3k s LEU 183 CO 0.11 -0.17 0.95 -0.13 0.23 0.00 0.00 176.35 177.33 1i3k s ARG 184 N 1.49 3.24 0.53 1.70 0.52 0.26 0.43 118.95 127.13 1i3k s ARG 184 Ca 0.03 -1.24 -0.19 0.00 -0.52 0.00 0.00 55.73 53.81 1i3k s ARG 184 Cb -0.17 -4.44 -0.07 0.00 0.52 0.00 0.00 34.95 30.80 1i3k s ARG 184 CO 0.02 -1.73 1.05 0.71 0.02 0.00 0.00 175.30 175.37 1i3k s TYR 185 N 3.29 2.97 0.00 -0.53 2.02 -0.94 -1.12 117.35 123.04 1i3k s TYR 185 Ca 0.23 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 1i3k s TYR 185 Cb -0.15 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1i3k s TYR 185 CO 0.03 -0.98 0.00 1.19 -1.57 0.00 0.00 175.55 174.23 1i3k n PHE 186 N -1.35 0.00 -3.65 2.71 3.72 -0.84 -1.11 117.46 116.94 1i3k n PHE 186 Ca 0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 1i3k n PHE 186 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 1i3k n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3k s ASN 187 N -1.00 5.51 0.32 4.37 -0.87 -0.54 -4.80 114.94 117.93 1i3k s ASN 187 Ca 0.00 -2.62 -0.29 0.00 -1.57 0.00 0.00 52.86 48.38 1i3k s ASN 187 Cb 0.00 -1.92 -0.11 0.00 -0.02 0.00 0.00 41.25 39.20 1i3k s ASN 187 CO 0.00 -0.46 1.41 -2.84 -2.57 0.00 0.00 177.10 172.65 1i3k s PRO 188 N 0.28 4.24 0.31 -0.60 0.02 -1.26 -0.91 135.00 137.09 1i3k s PRO 188 Ca 0.15 2.37 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 1i3k s PRO 188 Cb -0.20 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1i3k s PRO 188 CO -0.04 -0.38 0.52 -0.08 -0.33 0.00 0.00 177.00 176.69 1i3k s THR 189 N -0.80 0.00 0.00 0.99 -1.32 0.20 -4.84 115.64 109.87 1i3k s THR 189 Ca 0.53 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1i3k s THR 189 Cb -0.43 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1i3k s THR 189 CO 0.54 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1i3k n GLY 190 N -0.48 -1.93 3.71 6.08 0.00 -1.26 0.26 105.19 111.58 1i3k n GLY 190 Ca -0.01 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 1i3k n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ALA 191 N -1.33 -1.37 0.45 4.61 0.00 -1.26 -4.58 121.76 118.28 1i3k s ALA 191 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 1i3k s ALA 191 Cb 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.87 1i3k s ALA 191 CO 0.00 -0.95 1.14 1.58 0.00 0.00 0.00 175.76 177.53 1i3k n HIS 192 N -0.43 1.62 0.29 0.00 -0.00 -1.25 -4.77 115.22 110.68 1i3k n HIS 192 Ca -0.08 0.51 0.19 0.00 0.46 0.00 0.00 57.72 58.80 1i3k n HIS 192 Cb 0.61 -2.29 0.99 0.00 -0.12 0.00 0.00 29.99 29.18 1i3k n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3k h ALA 193 N 1.65 1.00 0.00 1.57 0.00 -1.93 -2.30 119.26 119.25 1i3k h ALA 193 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1i3k h ALA 193 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1i3k h ALA 193 CO 0.57 0.00 -0.29 0.66 0.00 0.00 0.00 179.25 180.20 1i3k h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.47 113.55 112.78 1i3k h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3k h SER 194 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1i3k h SER 194 CO 0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1i3k n GLY 195 N -0.34 0.85 0.12 -0.77 0.00 -0.86 -4.93 105.19 99.25 1i3k n GLY 195 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1i3k n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ILE 197 N -3.07 0.91 -0.02 0.00 -4.36 -1.26 -5.03 121.20 108.37 1i3k s ILE 197 Ca 0.01 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1i3k s ILE 197 Cb 0.10 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 42.09 1i3k s ILE 197 CO 0.77 -0.79 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1i3k n GLY 198 N -0.04 -0.99 3.69 6.27 0.00 -1.26 -3.80 105.19 109.05 1i3k n GLY 198 Ca -0.12 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1i3k n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3k s GLU 199 N -0.01 4.35 -0.63 1.61 2.12 -1.26 -4.83 118.70 120.04 1i3k s GLU 199 Ca 0.00 1.72 0.06 0.00 0.36 0.00 0.00 54.97 57.11 1i3k s GLU 199 Cb 0.00 -3.55 0.22 0.00 0.26 0.00 0.00 34.13 31.07 1i3k s GLU 199 CO 0.00 -0.45 0.64 -3.47 -0.54 0.00 0.00 175.26 171.44 1i3k n ASP 200 N 5.14 3.14 -4.77 -1.70 2.03 -1.26 -4.99 116.55 114.15 1i3k n ASP 200 Ca 0.11 -3.28 -0.38 0.00 0.52 0.00 0.00 54.79 51.76 1i3k n ASP 200 Cb 0.46 -0.69 -0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1i3k n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3k s PRO 201 N -2.00 3.76 -0.29 -0.67 0.04 -1.26 -4.95 135.00 129.63 1i3k s PRO 201 Ca 0.35 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 1i3k s PRO 201 Cb 0.09 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1i3k s PRO 201 CO -0.07 -0.58 0.29 -0.65 0.04 0.00 0.00 177.00 176.03 1i3k s GLN 202 N -2.59 3.90 2.94 4.56 -0.21 -1.26 -4.96 119.66 122.04 1i3k s GLN 202 Ca 0.62 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1i3k s GLN 202 Cb -0.32 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.01 1i3k s GLN 202 CO 0.39 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 1i3k n GLY 203 N 4.89 -0.42 3.63 3.09 0.00 -1.26 -4.71 105.19 110.41 1i3k n GLY 203 Ca -0.11 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1i3k n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3k s ILE 204 N 0.00 4.07 0.26 -0.61 1.01 -1.26 -4.96 121.20 119.71 1i3k s ILE 204 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 60.65 61.56 1i3k s ILE 204 Cb 0.00 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 1i3k s ILE 204 CO 0.00 -0.39 1.40 -2.65 0.00 0.00 0.00 174.94 173.30 1i3k n PRO 205 N 7.28 2.09 0.09 2.79 -0.02 -1.26 -4.89 135.00 141.08 1i3k n PRO 205 Ca 0.15 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.48 1i3k n PRO 205 Cb 0.46 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1i3k n PRO 205 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i3k n ASN 206 N 1.91 0.81 -4.95 2.55 4.13 -1.26 -4.85 115.26 113.59 1i3k n ASN 206 Ca 0.10 0.31 -0.24 0.00 1.68 0.00 0.00 54.58 56.43 1i3k n ASN 206 Cb 0.33 0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 39.05 1i3k n ASN 206 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1i3k s ASN 207 N -5.34 6.34 0.07 6.41 4.22 -1.26 -5.02 114.94 120.35 1i3k s ASN 207 Ca -0.01 0.16 -0.28 0.00 -2.14 0.00 0.00 52.86 50.59 1i3k s ASN 207 Cb 0.10 -1.90 -0.13 0.00 1.28 0.00 0.00 41.25 40.59 1i3k s ASN 207 CO 0.80 -0.01 1.43 0.25 -2.04 0.00 0.00 177.10 177.53 1i3k h LEU 208 N 1.76 -1.10 -0.30 3.54 5.85 -2.00 -3.25 115.31 119.81 1i3k h LEU 208 Ca -0.50 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1i3k h LEU 208 Cb 1.21 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.54 1i3k h LEU 208 CO 0.66 -0.51 -0.11 0.24 -0.34 0.00 0.00 178.44 178.38 1i3k h MET 209 N -0.76 -0.05 -0.39 1.25 2.86 -1.97 0.51 114.93 116.38 1i3k h MET 209 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1i3k h MET 209 Cb 0.67 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1i3k h MET 209 CO -0.07 -0.03 0.17 -1.35 1.06 0.00 0.00 176.91 176.68 1i3k h PRO 210 N -0.05 0.54 -0.10 -0.22 0.11 -1.99 0.75 132.00 131.05 1i3k h PRO 210 Ca 0.15 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1i3k h PRO 210 Cb 0.28 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1i3k h PRO 210 CO -0.33 0.44 -0.00 -0.92 -0.21 0.00 0.00 178.00 176.98 1i3k h TYR 211 N 0.54 0.19 -0.45 0.65 5.03 -1.35 -0.16 116.97 121.42 1i3k h TYR 211 Ca 0.14 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.46 1i3k h TYR 211 Cb 0.09 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 1i3k h TYR 211 CO 0.00 0.43 0.21 0.28 -1.32 0.00 0.00 178.16 177.76 1i3k h VAL 212 N -0.11 0.94 -0.27 1.81 2.07 -0.19 -1.22 116.25 119.29 1i3k h VAL 212 Ca 0.03 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1i3k h VAL 212 Cb 0.35 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1i3k h VAL 212 CO 0.01 0.08 -0.02 0.77 0.02 0.00 0.00 177.57 178.42 1i3k h SER 213 N 0.42 0.39 0.36 0.57 4.64 -0.75 -0.71 113.55 118.48 1i3k h SER 213 Ca 0.20 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1i3k h SER 213 Cb 0.13 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1i3k h SER 213 CO -0.15 0.47 -0.36 1.56 -0.87 0.00 0.00 176.83 177.47 1i3k h GLN 214 N 0.40 0.00 -0.02 4.77 4.20 0.10 0.64 115.11 125.20 1i3k h GLN 214 Ca 0.09 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1i3k h GLN 214 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1i3k h GLN 214 CO 0.01 0.36 -0.14 0.28 -0.67 0.00 0.00 178.83 178.67 1i3k h VAL 215 N 0.00 1.50 -0.81 -0.54 2.07 -0.57 0.10 116.25 118.00 1i3k h VAL 215 Ca -0.00 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 65.91 1i3k h VAL 215 Cb 0.64 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 1i3k h VAL 215 CO 0.05 0.46 0.53 0.00 0.02 0.00 0.00 177.57 178.62 1i3k h ALA 216 N 0.35 1.64 0.00 1.67 0.00 -0.82 -0.83 119.26 121.28 1i3k h ALA 216 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i3k h ALA 216 Cb 0.82 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1i3k h ALA 216 CO 0.03 0.22 0.00 1.51 0.00 0.00 0.00 179.25 181.01 1i3k n ILE 217 N -4.49 0.38 0.00 0.00 0.13 0.19 -4.92 119.36 110.64 1i3k n ILE 217 Ca 0.12 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.69 1i3k n ILE 217 Cb 0.24 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 38.42 1i3k n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1i3k n GLY 218 N 1.21 0.79 0.10 4.50 0.00 -0.32 -4.99 105.19 106.49 1i3k n GLY 218 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1i3k n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3k h ARG 219 N 4.41 0.12 -6.49 1.61 2.43 -1.19 -3.45 114.38 111.82 1i3k h ARG 219 Ca 0.00 -0.15 -0.64 0.00 -0.81 0.00 0.00 59.98 58.38 1i3k h ARG 219 Cb 0.00 0.05 -0.25 0.00 -0.42 0.00 0.00 29.97 29.35 1i3k h ARG 219 CO 0.00 0.97 -0.86 1.03 -1.51 0.00 0.00 179.97 179.60 1i3k s ARG 220 N -2.99 1.52 -0.03 0.20 0.52 -1.03 -4.99 118.95 112.15 1i3k s ARG 220 Ca -0.01 -1.10 -0.23 0.00 -0.52 0.00 0.00 55.73 53.86 1i3k s ARG 220 Cb 0.10 -1.75 -0.24 0.00 0.52 0.00 0.00 34.95 33.59 1i3k s ARG 220 CO 0.83 0.44 1.04 1.05 0.02 0.00 0.00 175.30 178.68 1i3k h GLU 221 N 4.58 0.25 -3.16 3.54 4.11 -1.90 -3.39 114.58 118.62 1i3k h GLU 221 Ca -0.46 -0.28 -0.11 0.00 0.07 0.00 0.00 59.36 58.58 1i3k h GLU 221 Cb 1.16 0.08 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 1i3k h GLU 221 CO 0.42 0.99 -0.29 0.00 0.07 0.00 0.00 179.01 180.21 1i3k s ALA 222 N -3.11 -0.70 0.18 1.06 0.00 -1.26 -4.54 121.76 113.38 1i3k s ALA 222 Ca -0.15 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1i3k s ALA 222 Cb 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 1i3k s ALA 222 CO 0.77 -0.30 0.89 -1.17 0.00 0.00 0.00 175.76 175.95 1i3k s LEU 223 N -1.57 4.59 -0.32 0.00 2.96 0.55 -4.87 118.68 120.02 1i3k s LEU 223 Ca -0.11 1.81 -0.16 0.00 -0.22 0.00 0.00 54.13 55.45 1i3k s LEU 223 Cb -0.04 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1i3k s LEU 223 CO 0.02 0.11 0.42 0.20 -1.32 0.00 0.00 176.35 175.78 1i3k s ASN 224 N -0.84 6.25 -0.27 3.68 0.02 -1.26 -0.08 114.94 122.44 1i3k s ASN 224 Ca 0.41 0.01 -0.18 0.00 -1.02 0.00 0.00 52.86 52.08 1i3k s ASN 224 Cb -0.24 -2.23 -0.02 0.00 0.02 0.00 0.00 41.25 38.78 1i3k s ASN 224 CO 0.29 -0.34 0.53 -0.69 0.02 0.00 0.00 177.10 176.92 1i3k s VAL 225 N 2.17 5.05 -1.28 1.60 1.01 0.18 -4.92 120.40 124.20 1i3k s VAL 225 Ca 0.15 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 1i3k s VAL 225 Cb -0.16 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1i3k s VAL 225 CO 0.12 0.03 1.80 0.49 0.00 0.00 0.00 175.10 177.54 1i3k n PHE 226 N 5.60 4.21 0.00 5.22 0.99 -1.26 -0.07 117.46 132.16 1i3k n PHE 226 Ca -0.04 -2.55 0.00 0.00 -0.00 0.00 0.00 57.45 54.86 1i3k n PHE 226 Cb 0.50 -2.63 0.00 0.00 -1.00 0.00 0.00 39.48 36.35 1i3k n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3k n GLY 227 N 5.43 -1.58 0.60 1.37 0.00 -0.07 -4.34 105.19 106.61 1i3k n GLY 227 Ca 0.48 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 45.20 1i3k n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3k n ASN 228 N -0.81 0.25 -1.00 1.61 6.94 -1.25 -4.53 115.26 116.46 1i3k n ASN 228 Ca 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 1i3k n ASN 228 Cb 0.00 -0.23 0.21 0.00 -2.36 0.00 0.00 39.78 37.41 1i3k n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3k n ASP 229 N -0.02 2.79 -4.89 0.53 3.85 -0.97 -4.26 116.55 113.58 1i3k n ASP 229 Ca 0.02 -3.55 -0.29 0.00 -0.71 0.00 0.00 54.79 50.26 1i3k n ASP 229 Cb 0.75 -0.60 0.03 0.00 -1.35 0.00 0.00 41.12 39.95 1i3k n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3k s TYR 230 N -3.12 3.41 -1.34 2.11 2.02 0.10 -4.93 117.35 115.60 1i3k s TYR 230 Ca 0.43 0.99 -0.14 0.00 -0.37 0.00 0.00 57.07 57.98 1i3k s TYR 230 Cb 0.38 -2.82 0.10 0.00 -0.40 0.00 0.00 41.96 39.22 1i3k s TYR 230 CO 0.02 -0.87 1.91 -3.47 -1.57 0.00 0.00 175.55 171.57 1i3k n ASP 231 N -2.76 4.62 -4.16 2.29 2.03 -1.26 -4.13 116.55 113.17 1i3k n ASP 231 Ca 0.05 -2.94 -0.10 0.00 0.52 0.00 0.00 54.79 52.32 1i3k n ASP 231 Cb 0.56 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 1i3k n ASP 231 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1i3k s THR 232 N 2.53 0.30 0.21 5.18 -4.23 -1.26 -4.92 115.64 113.46 1i3k s THR 232 Ca 0.46 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1i3k s THR 232 Cb 0.08 -1.95 0.23 0.00 1.34 0.00 0.00 72.50 72.20 1i3k s THR 232 CO -0.01 -0.58 1.64 -0.08 -0.54 0.00 0.00 174.62 175.04 1i3k h GLU 233 N 2.88 0.04 -0.30 3.99 4.57 -1.89 -2.23 114.58 121.63 1i3k h GLU 233 Ca -0.35 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1i3k h GLU 233 Cb 1.19 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1i3k h GLU 233 CO 0.62 0.03 0.00 -0.40 -1.18 0.00 0.00 179.01 178.07 1i3k n ASP 234 N -5.38 3.04 0.00 1.04 5.68 -1.26 -4.96 116.55 114.71 1i3k n ASP 234 Ca 0.09 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1i3k n ASP 234 Cb 0.35 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1i3k n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i3k n GLY 235 N 1.11 2.06 3.94 6.12 0.00 -0.84 -4.89 105.19 112.69 1i3k n GLY 235 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1i3k n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3k s THR 236 N -2.70 5.18 0.49 2.61 -4.23 -1.26 0.02 115.64 115.76 1i3k s THR 236 Ca 0.00 -0.54 -0.23 0.00 -1.18 0.00 0.00 61.69 59.73 1i3k s THR 236 Cb 0.00 -3.81 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 1i3k s THR 236 CO 0.00 -0.34 1.32 0.61 -0.54 0.00 0.00 174.62 175.67 1i3k n GLY 237 N -1.21 0.67 3.37 3.99 0.00 -1.26 -4.61 105.19 106.14 1i3k n GLY 237 Ca -0.06 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1i3k n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3k s VAL 238 N -1.26 2.78 0.05 1.61 1.01 -0.38 -1.82 120.40 122.40 1i3k s VAL 238 Ca 0.66 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1i3k s VAL 238 Cb -0.45 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1i3k s VAL 238 CO 0.54 0.55 0.05 -0.13 0.00 0.00 0.00 175.10 176.11 1i3k s ARG 239 N -0.04 0.62 -0.69 2.72 1.81 -0.61 -1.51 118.95 121.24 1i3k s ARG 239 Ca -0.04 -0.98 -0.19 0.00 -1.72 0.00 0.00 55.73 52.80 1i3k s ARG 239 Cb -0.14 0.23 0.12 0.00 -0.45 0.00 0.00 34.95 34.70 1i3k s ARG 239 CO 0.04 -0.14 0.83 0.34 -0.68 0.00 0.00 175.30 175.69 1i3k s ASP 240 N -2.54 6.33 0.02 0.23 3.68 -0.94 -1.07 116.67 122.38 1i3k s ASP 240 Ca 0.01 -1.64 -0.28 0.00 2.13 0.00 0.00 52.55 52.76 1i3k s ASP 240 Cb 0.03 -2.32 -0.04 0.00 -1.45 0.00 0.00 42.92 39.14 1i3k s ASP 240 CO -0.08 -1.09 0.91 -0.31 0.13 0.00 0.00 175.17 174.74 1i3k s TYR 241 N 2.57 3.70 -0.03 -5.34 2.02 -1.26 -1.47 117.35 117.53 1i3k s TYR 241 Ca 0.18 1.63 0.03 0.00 -0.37 0.00 0.00 57.07 58.54 1i3k s TYR 241 Cb -0.18 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1i3k s TYR 241 CO 0.02 0.10 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.47 1i3k s ILE 242 N 0.59 1.04 0.14 2.71 2.07 -0.08 -4.60 121.20 123.07 1i3k s ILE 242 Ca 0.47 -0.50 -0.31 0.00 -1.41 0.00 0.00 60.65 58.90 1i3k s ILE 242 Cb -0.21 -0.91 -0.11 0.00 0.13 0.00 0.00 42.46 41.36 1i3k s ILE 242 CO 0.26 0.31 1.83 1.57 -1.91 0.00 0.00 174.94 177.00 1i3k n HIS 243 N 3.24 2.67 -0.04 3.50 -0.00 -1.26 -0.63 115.22 122.70 1i3k n HIS 243 Ca -0.18 -0.13 0.19 0.00 -0.00 0.00 0.00 57.72 57.60 1i3k n HIS 243 Cb 0.54 -2.73 0.64 0.00 -0.00 0.00 0.00 29.99 28.44 1i3k n HIS 243 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1i3k h VAL 244 N 4.53 0.75 -0.51 3.57 3.04 -0.48 0.14 116.25 127.29 1i3k h VAL 244 Ca -0.46 -0.04 -0.13 0.00 -1.01 0.00 0.00 66.70 65.07 1i3k h VAL 244 Cb 1.22 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1i3k h VAL 244 CO 0.95 0.02 -0.18 0.58 -1.01 0.00 0.00 177.57 177.93 1i3k h VAL 245 N 0.11 1.27 -0.46 1.51 2.07 -1.88 0.63 116.25 119.49 1i3k h VAL 245 Ca 0.28 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1i3k h VAL 245 Cb 0.97 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1i3k h VAL 245 CO -0.03 0.47 0.04 0.44 0.02 0.00 0.00 177.57 178.50 1i3k h ASP 246 N 0.89 0.77 -0.43 0.57 3.32 -1.40 -1.31 116.42 118.83 1i3k h ASP 246 Ca 0.12 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1i3k h ASP 246 Cb 0.76 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1i3k h ASP 246 CO 0.06 0.86 0.25 0.25 -1.72 0.00 0.00 179.24 178.94 1i3k h LEU 247 N 0.65 0.39 -0.47 1.55 5.85 -0.98 -1.06 115.31 121.24 1i3k h LEU 247 Ca 0.14 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1i3k h LEU 247 Cb 0.45 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1i3k h LEU 247 CO 0.02 0.28 0.28 0.00 -0.34 0.00 0.00 178.44 178.67 1i3k h ALA 248 N 1.20 0.60 -0.02 1.25 0.00 -0.69 -1.93 119.26 119.66 1i3k h ALA 248 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1i3k h ALA 248 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1i3k h ALA 248 CO -0.09 -0.03 -0.11 0.87 0.00 0.00 0.00 179.25 179.89 1i3k h LYS 249 N 0.56 0.04 0.00 0.00 1.57 -0.80 -0.98 116.57 116.95 1i3k h LYS 249 Ca 0.19 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1i3k h LYS 249 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1i3k h LYS 249 CO -0.09 0.15 -0.05 0.78 -0.57 0.00 0.00 179.45 179.67 1i3k h GLY 250 N 0.40 0.00 1.76 3.86 0.00 -0.38 -1.62 103.07 107.10 1i3k h GLY 250 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 1i3k h GLY 250 CO 0.01 0.00 -0.71 0.45 0.00 0.00 0.00 176.54 176.29 1i3k h HIS 251 N 0.00 0.32 -0.23 5.60 3.86 -1.12 -1.02 115.15 122.55 1i3k h HIS 251 Ca -0.00 -0.14 -0.14 0.00 -1.16 0.00 0.00 60.37 58.93 1i3k h HIS 251 Cb 0.16 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1i3k h HIS 251 CO 0.00 0.87 -0.42 0.82 0.86 0.00 0.00 177.93 180.06 1i3k h ILE 252 N 0.16 1.30 -0.62 2.45 5.03 -1.34 -1.04 117.51 123.46 1i3k h ILE 252 Ca -0.02 -1.60 -0.09 0.00 -0.12 0.00 0.00 64.86 63.03 1i3k h ILE 252 Cb 1.27 1.58 -0.02 0.00 -3.03 0.00 0.00 36.82 36.61 1i3k h ILE 252 CO 0.11 0.50 0.04 0.00 -0.68 0.00 0.00 178.15 178.12 1i3k h ALA 253 N 1.08 0.89 -0.63 1.87 0.00 -1.25 -2.02 119.26 119.19 1i3k h ALA 253 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1i3k h ALA 253 Cb 0.93 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1i3k h ALA 253 CO 0.08 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.29 1i3k h ALA 254 N 1.04 0.82 -0.84 0.00 0.00 -0.60 -1.04 119.26 118.65 1i3k h ALA 254 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i3k h ALA 254 Cb 0.51 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1i3k h ALA 254 CO 0.02 0.39 0.53 -0.07 0.00 0.00 0.00 179.25 180.13 1i3k h LEU 255 N 0.87 0.98 -1.07 0.00 3.38 -0.85 -1.59 115.31 117.03 1i3k h LEU 255 Ca 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1i3k h LEU 255 Cb 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1i3k h LEU 255 CO -0.03 0.73 0.47 0.03 0.09 0.00 0.00 178.44 179.74 1i3k h ARG 256 N 1.14 1.12 -0.78 1.13 3.08 -0.84 -2.38 114.38 116.85 1i3k h ARG 256 Ca 0.30 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1i3k h ARG 256 Cb -0.09 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.69 1i3k h ARG 256 CO -0.06 0.80 0.36 -0.22 -1.07 0.00 0.00 179.97 179.78 1i3k h LYS 257 N 1.13 1.13 -0.84 0.04 1.63 -0.34 -2.66 116.57 116.66 1i3k h LYS 257 Ca 0.29 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1i3k h LYS 257 Cb -0.02 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 31.36 1i3k h LYS 257 CO -0.05 0.88 0.54 -0.07 -3.45 0.00 0.00 179.45 177.30 1i3k h LEU 258 N 1.10 0.91 -1.44 5.20 3.38 -0.81 -0.98 115.31 122.68 1i3k h LEU 258 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1i3k h LEU 258 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1i3k h LEU 258 CO -0.03 0.64 0.05 0.11 0.09 0.00 0.00 178.44 179.29 1i3k h LYS 259 N 1.07 0.00 -0.18 1.13 1.57 -1.17 0.29 116.57 119.28 1i3k h LYS 259 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1i3k h LYS 259 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1i3k h LYS 259 CO -0.10 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.17 1i3k n GLU 260 N -2.27 1.73 -3.50 3.15 1.02 -0.37 -4.91 120.64 115.49 1i3k n GLU 260 Ca -0.01 -1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 55.83 1i3k n GLU 260 Cb 0.08 -1.38 0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1i3k n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3k n GLN 261 N 0.33 -4.37 0.00 3.49 1.13 0.10 -4.90 117.38 113.16 1i3k n GLN 261 Ca 0.16 0.74 0.12 0.00 -1.94 0.00 0.00 57.00 56.07 1i3k n GLN 261 Cb 0.32 -5.44 0.52 0.00 0.11 0.00 0.00 30.24 25.76 1i3k n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3k n GLY 263 N 1.03 0.22 3.67 0.00 0.00 -1.26 -4.61 105.19 104.26 1i3k n GLY 263 Ca 0.06 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1i3k n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3k s ARG 265 N 1.54 0.72 -0.08 0.00 1.81 0.05 -4.95 118.95 118.04 1i3k s ARG 265 Ca 0.27 -0.63 0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1i3k s ARG 265 Cb -0.16 -0.66 0.02 0.00 -0.45 0.00 0.00 34.95 33.70 1i3k s ARG 265 CO 0.11 0.16 -0.10 0.42 -0.68 0.00 0.00 175.30 175.20 1i3k s ILE 266 N -0.83 1.07 -0.01 1.52 1.01 -1.26 -0.73 121.20 121.97 1i3k s ILE 266 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1i3k s ILE 266 Cb -0.07 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 1i3k s ILE 266 CO 0.01 0.36 -0.05 -0.31 0.00 0.00 0.00 174.94 174.94 1i3k s TYR 267 N 1.06 0.45 0.30 3.97 1.51 -0.01 -4.97 117.35 119.66 1i3k s TYR 267 Ca -0.07 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.63 1i3k s TYR 267 Cb -0.15 -0.30 -0.09 0.00 -0.11 0.00 0.00 41.96 41.31 1i3k s TYR 267 CO -0.01 -0.01 0.97 -0.80 -1.11 0.00 0.00 175.55 174.58 1i3k s ASN 268 N -0.07 7.38 -0.41 2.29 0.01 -1.26 -0.57 114.94 122.30 1i3k s ASN 268 Ca 0.01 1.93 0.03 0.00 -0.71 0.00 0.00 52.86 54.12 1i3k s ASN 268 Cb -0.02 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.16 1i3k s ASN 268 CO -0.00 -0.04 0.15 -0.76 -1.51 0.00 0.00 177.10 174.94 1i3k s LEU 269 N -1.78 4.14 0.36 0.60 1.43 -0.28 -4.67 118.68 118.48 1i3k s LEU 269 Ca 0.47 -2.46 -0.07 0.00 -1.03 0.00 0.00 54.13 51.04 1i3k s LEU 269 Cb -0.22 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1i3k s LEU 269 CO 0.28 -0.32 0.58 -0.83 0.23 0.00 0.00 176.35 176.29 1i3k s GLY 270 N 0.49 1.12 0.03 -3.19 0.00 -1.26 -1.98 107.32 102.52 1i3k s GLY 270 Ca 0.14 -1.26 0.21 0.00 0.00 0.00 0.00 44.72 43.80 1i3k s GLY 270 CO -0.06 -0.77 0.65 -1.30 0.00 0.00 0.00 173.10 171.62 1i3k n THR 271 N -0.55 0.57 -0.19 0.90 -2.24 -1.26 -4.61 114.28 106.90 1i3k n THR 271 Ca -0.02 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1i3k n THR 271 Cb 0.61 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1i3k n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3k n GLY 272 N 1.32 0.75 3.28 3.38 0.00 -1.26 -4.85 105.19 107.82 1i3k n GLY 272 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1i3k n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3k s THR 273 N -2.49 2.77 -0.05 2.61 2.01 -1.26 -4.76 115.64 114.47 1i3k s THR 273 Ca 0.00 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1i3k s THR 273 Cb 0.00 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1i3k s THR 273 CO 0.00 0.51 0.24 -0.83 -0.69 0.00 0.00 174.62 173.85 1i3k s GLY 274 N 0.81 2.26 -0.00 4.40 0.00 -1.26 -4.11 107.32 109.41 1i3k s GLY 274 Ca -0.05 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1i3k s GLY 274 CO 0.00 -0.26 -0.11 -0.19 0.00 0.00 0.00 173.10 172.54 1i3k s TYR 275 N -1.13 0.96 0.80 1.90 2.02 -0.24 -4.88 117.35 116.79 1i3k s TYR 275 Ca 0.21 -0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 56.61 1i3k s TYR 275 Cb -0.13 -0.61 0.10 0.00 -0.40 0.00 0.00 41.96 40.91 1i3k s TYR 275 CO 0.10 -0.01 1.14 -1.54 -1.57 0.00 0.00 175.55 173.67 1i3k s SER 276 N -0.33 4.35 0.11 2.29 1.04 -1.26 -1.57 113.70 118.33 1i3k s SER 276 Ca 0.04 0.53 -0.22 0.00 0.48 0.00 0.00 55.95 56.78 1i3k s SER 276 Cb -0.04 -0.99 -0.09 0.00 0.10 0.00 0.00 66.02 64.99 1i3k s SER 276 CO -0.00 -1.95 1.71 0.58 0.98 0.00 0.00 173.24 174.56 1i3k h VAL 277 N -0.99 0.83 -0.83 5.02 2.07 -1.61 -1.11 116.25 119.62 1i3k h VAL 277 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1i3k h VAL 277 Cb 1.31 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1i3k h VAL 277 CO 0.58 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 178.62 1i3k h LEU 278 N -0.09 0.98 -1.02 2.57 3.38 -1.94 -0.52 115.31 118.68 1i3k h LEU 278 Ca 0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1i3k h LEU 278 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1i3k h LEU 278 CO -0.10 0.74 0.10 1.56 0.09 0.00 0.00 178.44 180.83 1i3k h GLN 279 N 1.14 0.81 -0.49 1.13 4.20 -1.80 -0.27 115.11 119.83 1i3k h GLN 279 Ca 0.30 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1i3k h GLN 279 Cb -0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1i3k h GLN 279 CO -0.06 0.75 -0.16 0.52 -0.67 0.00 0.00 178.83 179.21 1i3k h MET 280 N 0.78 0.94 -0.27 1.46 2.86 -0.09 -0.85 114.93 119.77 1i3k h MET 280 Ca 0.17 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1i3k h MET 280 Cb 0.32 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1i3k h MET 280 CO 0.00 1.02 0.17 0.28 1.06 0.00 0.00 176.91 179.45 1i3k h VAL 281 N 0.83 1.06 -0.73 -2.22 2.07 -0.71 -0.72 116.25 115.84 1i3k h VAL 281 Ca 0.12 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1i3k h VAL 281 Cb 0.70 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1i3k h VAL 281 CO 0.05 0.06 0.48 -0.61 0.02 0.00 0.00 177.57 177.58 1i3k h GLN 282 N 0.35 0.95 -0.22 1.57 4.15 -0.88 -0.45 115.11 120.59 1i3k h GLN 282 Ca 0.10 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1i3k h GLN 282 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 1i3k h GLN 282 CO -0.03 0.63 -0.06 0.00 -1.93 0.00 0.00 178.83 177.44 1i3k h ALA 283 N 1.28 1.50 -0.02 3.38 0.00 -0.71 -1.43 119.26 123.26 1i3k h ALA 283 Ca 0.27 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1i3k h ALA 283 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i3k h ALA 283 CO -0.07 0.35 -0.75 0.52 0.00 0.00 0.00 179.25 179.31 1i3k h MET 284 N 0.32 0.12 -0.30 0.00 2.86 -0.27 -0.22 114.93 117.44 1i3k h MET 284 Ca 0.07 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1i3k h MET 284 Cb 0.31 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1i3k h MET 284 CO 0.01 0.81 -0.01 0.93 1.06 0.00 0.00 176.91 179.71 1i3k h GLU 285 N 0.08 0.54 -0.71 1.72 5.08 -0.68 -0.07 114.58 120.53 1i3k h GLU 285 Ca -0.02 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1i3k h GLU 285 Cb 1.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1i3k h GLU 285 CO 0.11 0.69 0.38 -0.22 -1.00 0.00 0.00 179.01 178.97 1i3k h LYS 286 N 0.32 0.99 -0.26 2.33 3.64 -1.12 0.74 116.57 123.21 1i3k h LYS 286 Ca 0.08 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1i3k h LYS 286 Cb 0.46 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1i3k h LYS 286 CO 0.02 0.74 -0.59 0.00 -2.27 0.00 0.00 179.45 177.35 1i3k h ALA 287 N 1.19 0.46 0.00 5.00 0.00 -0.81 -3.30 119.26 121.81 1i3k h ALA 287 Ca 0.25 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1i3k h ALA 287 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1i3k h ALA 287 CO -0.04 0.68 -0.65 0.66 0.00 0.00 0.00 179.25 179.90 1i3k h SER 288 N 0.63 0.00 -0.17 0.00 4.64 -0.96 -3.47 113.55 114.22 1i3k h SER 288 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1i3k h SER 288 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1i3k h SER 288 CO 0.13 0.27 -0.07 0.61 -0.87 0.00 0.00 176.83 176.90 1i3k n GLY 289 N 1.21 0.66 3.26 -0.77 0.00 0.24 -5.02 105.19 104.78 1i3k n GLY 289 Ca -0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1i3k n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3k s LYS 290 N -2.06 1.07 0.26 1.61 -0.14 -1.21 -5.06 119.74 114.21 1i3k s LYS 290 Ca 0.00 -1.16 -0.29 0.00 -1.36 0.00 0.00 55.97 53.16 1i3k s LYS 290 Cb 0.00 -1.22 -0.09 0.00 -1.68 0.00 0.00 37.83 34.84 1i3k s LYS 290 CO 0.00 0.27 0.94 0.15 -0.76 0.00 0.00 175.35 175.96 1i3k s LYS 291 N -2.07 4.79 -0.39 1.68 1.02 -1.26 -4.34 119.74 119.17 1i3k s LYS 291 Ca 0.06 1.46 0.03 0.00 0.02 0.00 0.00 55.97 57.54 1i3k s LYS 291 Cb -0.09 -3.17 0.11 0.00 -0.52 0.00 0.00 37.83 34.16 1i3k s LYS 291 CO 0.04 0.46 0.12 0.42 -0.92 0.00 0.00 175.35 175.47 1i3k s ILE 292 N -1.28 2.45 0.75 2.17 1.01 -1.26 -4.85 121.20 120.19 1i3k s ILE 292 Ca 0.43 -2.58 -0.11 0.00 0.00 0.00 0.00 60.65 58.39 1i3k s ILE 292 Cb -0.24 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1i3k s ILE 292 CO 0.30 -0.66 1.09 -2.84 0.00 0.00 0.00 174.94 172.83 1i3k s PRO 293 N 0.60 2.39 0.18 2.79 0.02 -1.26 -4.88 135.00 134.84 1i3k s PRO 293 Ca 0.12 1.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.10 1i3k s PRO 293 Cb -0.21 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.46 1i3k s PRO 293 CO -0.06 -1.54 0.62 1.52 -0.33 0.00 0.00 177.00 177.21 1i3k s TYR 294 N -2.84 -0.49 -0.00 6.54 1.13 -1.26 -0.33 117.35 120.10 1i3k s TYR 294 Ca 0.62 0.25 0.01 0.00 -1.41 0.00 0.00 57.07 56.53 1i3k s TYR 294 Cb -0.17 0.58 -0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1i3k s TYR 294 CO 0.54 -0.90 -0.04 -1.59 -2.51 0.00 0.00 175.55 171.05 1i3k s LYS 295 N -3.77 0.34 -0.11 -3.49 -2.85 0.88 -4.85 119.74 105.89 1i3k s LYS 295 Ca 0.02 -0.14 -0.26 0.00 -1.00 0.00 0.00 55.97 54.60 1i3k s LYS 295 Cb -0.02 -0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 35.39 1i3k s LYS 295 CO -0.10 0.08 0.84 0.08 0.10 0.00 0.00 175.35 176.34 1i3k s VAL 296 N -0.04 4.91 0.21 1.79 1.01 -1.26 0.48 120.40 127.50 1i3k s VAL 296 Ca 0.01 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1i3k s VAL 296 Cb -0.02 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1i3k s VAL 296 CO -0.00 0.10 0.03 1.33 0.00 0.00 0.00 175.10 176.56 1i3k n VAL 297 N 4.34 0.00 -1.38 2.92 0.24 0.90 -4.88 118.33 120.48 1i3k n VAL 297 Ca 0.04 -1.09 -0.35 0.00 -2.04 0.00 0.00 64.34 60.90 1i3k n VAL 297 Cb 0.50 0.29 0.10 0.00 -1.47 0.00 0.00 33.84 33.26 1i3k n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3k s ALA 298 N -2.45 2.06 0.82 2.33 0.00 -1.26 -0.89 121.76 122.37 1i3k s ALA 298 Ca 0.04 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1i3k s ALA 298 Cb 0.00 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.70 1i3k s ALA 298 CO 0.03 -1.99 1.16 0.54 0.00 0.00 0.00 175.76 175.50 1i3k n ARG 299 N -2.75 0.12 -3.71 0.00 1.74 -1.26 -3.62 116.66 107.16 1i3k n ARG 299 Ca 0.14 0.12 -0.36 0.00 -0.77 0.00 0.00 57.85 56.98 1i3k n ARG 299 Cb 0.50 -2.41 -0.09 0.00 -1.02 0.00 0.00 32.46 29.44 1i3k n ARG 299 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i3k s ARG 300 N -4.11 4.09 -0.01 5.56 3.52 -1.26 -4.90 118.95 121.84 1i3k s ARG 300 Ca 0.72 -0.26 -0.39 0.00 -0.13 0.00 0.00 55.73 55.67 1i3k s ARG 300 Cb -0.29 -3.47 -0.18 0.00 -1.56 0.00 0.00 34.95 29.46 1i3k s ARG 300 CO 0.52 0.16 1.34 -1.91 -0.81 0.00 0.00 175.30 174.59 1i3k n GLU 301 N 3.98 0.80 -0.93 5.12 2.13 -1.26 -1.80 120.64 128.68 1i3k n GLU 301 Ca -0.15 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1i3k n GLU 301 Cb 0.52 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1i3k n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i3k n GLY 302 N 2.56 1.12 3.76 8.31 0.00 -1.26 -5.02 105.19 114.65 1i3k n GLY 302 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1i3k n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3k s ASP 303 N -3.05 6.86 0.36 1.61 1.11 -0.74 -5.02 116.67 117.79 1i3k s ASP 303 Ca 0.00 2.57 -0.00 0.00 0.18 0.00 0.00 52.55 55.30 1i3k s ASP 303 Cb 0.00 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1i3k s ASP 303 CO 0.00 -0.49 0.57 0.68 1.18 0.00 0.00 175.17 177.11 1i3k s VAL 304 N -0.82 5.09 0.02 -1.27 -7.23 -1.26 -5.01 120.40 109.92 1i3k s VAL 304 Ca 0.50 -0.40 -0.26 0.00 -1.81 0.00 0.00 61.98 60.02 1i3k s VAL 304 Cb -0.38 -3.86 -0.17 0.00 0.56 0.00 0.00 36.38 32.53 1i3k s VAL 304 CO 0.48 -0.58 1.29 0.00 -0.31 0.00 0.00 175.10 175.98 1i3k h ALA 305 N 0.72 -0.52 -2.79 1.32 0.00 -1.95 -3.44 119.26 112.60 1i3k h ALA 305 Ca -0.49 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 1i3k h ALA 305 Cb 1.22 0.20 -0.22 0.00 0.00 0.00 0.00 17.79 18.98 1i3k h ALA 305 CO 0.61 -0.65 -0.37 0.00 0.00 0.00 0.00 179.25 178.85 1i3k s ALA 306 N -5.05 -0.65 -0.18 0.00 0.00 -1.26 -1.25 121.76 113.36 1i3k s ALA 306 Ca -0.15 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1i3k s ALA 306 Cb 0.02 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1i3k s ALA 306 CO 0.54 -0.19 0.44 0.00 0.00 0.00 0.00 175.76 176.55 1i3k s TYR 308 N 1.23 -0.56 0.52 0.00 -0.85 -1.26 -2.22 117.35 114.20 1i3k s TYR 308 Ca -0.08 0.85 -0.02 0.00 -0.52 0.00 0.00 57.07 57.30 1i3k s TYR 308 Cb -0.07 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.66 1i3k s TYR 308 CO -0.11 -0.62 0.77 0.00 -1.52 0.00 0.00 175.55 174.07 1i3k s ALA 309 N -1.70 3.60 -0.40 9.51 0.00 -1.26 -1.22 121.76 130.30 1i3k s ALA 309 Ca -0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1i3k s ALA 309 Cb -0.01 -2.30 0.08 0.00 0.00 0.00 0.00 23.12 20.89 1i3k s ALA 309 CO 0.05 -0.60 0.20 1.21 0.00 0.00 0.00 175.76 176.63 1i3k s ASN 310 N -4.28 5.42 0.00 0.00 3.84 -0.27 -4.02 114.94 115.63 1i3k s ASN 310 Ca 0.52 -1.59 0.13 0.00 0.21 0.00 0.00 52.86 52.13 1i3k s ASN 310 Cb -0.10 -1.90 0.39 0.00 -0.55 0.00 0.00 41.25 39.09 1i3k s ASN 310 CO 0.41 -0.49 1.32 -0.81 -2.79 0.00 0.00 177.10 174.73 1i3k n PRO 311 N 4.79 1.84 -0.25 0.43 -0.04 -1.26 -4.51 135.00 136.00 1i3k n PRO 311 Ca -0.09 -1.31 -0.07 0.00 -0.04 0.00 0.00 63.50 62.00 1i3k n PRO 311 Cb 0.43 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1i3k n PRO 311 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i3k h SER 312 N 2.19 0.93 -0.62 3.54 4.64 -1.95 -2.68 113.55 119.60 1i3k h SER 312 Ca 0.00 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1i3k h SER 312 Cb 0.50 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 1i3k h SER 312 CO 0.00 0.84 0.35 0.25 -0.87 0.00 0.00 176.83 177.40 1i3k h LEU 313 N 0.96 0.53 -0.59 5.97 5.85 -1.95 -0.34 115.31 125.73 1i3k h LEU 313 Ca 0.23 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1i3k h LEU 313 Cb 0.20 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1i3k h LEU 313 CO -0.02 0.35 0.13 0.00 -0.34 0.00 0.00 178.44 178.56 1i3k h ALA 314 N 1.31 0.78 -0.76 1.25 0.00 -1.82 0.42 119.26 120.45 1i3k h ALA 314 Ca 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i3k h ALA 314 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1i3k h ALA 314 CO -0.16 0.51 0.47 -0.56 0.00 0.00 0.00 179.25 179.51 1i3k h GLN 315 N 0.87 1.03 0.37 0.00 3.07 -1.06 0.98 115.11 120.36 1i3k h GLN 315 Ca 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 1i3k h GLN 315 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1i3k h GLN 315 CO 0.01 0.71 -0.18 0.93 0.09 0.00 0.00 178.83 180.39 1i3k h GLU 316 N 1.04 -0.48 0.20 0.06 5.08 -0.70 -2.62 114.58 117.16 1i3k h GLU 316 Ca 0.28 0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.33 1i3k h GLU 316 Cb -0.06 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1i3k h GLU 316 CO -0.05 -0.18 -1.61 0.93 -1.00 0.00 0.00 179.01 177.10 1i3k h GLU 317 N -1.00 0.42 0.00 2.33 5.08 -0.21 -3.35 114.58 117.86 1i3k h GLU 317 Ca -0.05 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.57 1i3k h GLU 317 Cb 0.52 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1i3k h GLU 317 CO 0.08 1.33 -0.56 -0.07 -1.00 0.00 0.00 179.01 178.79 1i3k h LEU 318 N 0.12 0.00 -0.28 1.33 3.38 -0.94 -3.47 115.31 115.45 1i3k h LEU 318 Ca -0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1i3k h LEU 318 Cb 2.11 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.89 1i3k h LEU 318 CO 0.21 0.05 -0.22 0.61 0.09 0.00 0.00 178.44 179.18 1i3k n GLY 319 N 1.16 0.31 3.07 0.83 0.00 -0.83 -4.89 105.19 104.85 1i3k n GLY 319 Ca 0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1i3k n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3k s TRP 320 N -2.86 0.82 -0.00 1.61 -0.00 -1.12 -5.01 118.94 112.38 1i3k s TRP 320 Ca 0.14 -0.38 -0.10 0.00 -0.00 0.00 0.00 56.10 55.76 1i3k s TRP 320 Cb -0.06 -0.49 0.01 0.00 -0.00 0.00 0.00 33.47 32.93 1i3k s TRP 320 CO 0.17 -0.02 0.20 -0.08 -0.00 0.00 0.00 176.95 177.21 1i3k s THR 321 N -0.98 0.07 -0.77 5.86 -1.32 -1.26 -2.83 115.64 114.41 1i3k s THR 321 Ca -0.04 -0.60 -0.25 0.00 -1.21 0.00 0.00 61.69 59.58 1i3k s THR 321 Cb -0.08 -0.49 0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1i3k s THR 321 CO 0.01 -0.33 1.24 0.00 -2.21 0.00 0.00 174.62 173.32 1i3k s ALA 322 N -1.34 2.83 -0.71 11.08 0.00 -1.26 -4.87 121.76 127.49 1i3k s ALA 322 Ca -0.14 -1.61 0.23 0.00 0.00 0.00 0.00 51.96 50.44 1i3k s ALA 322 Cb -0.07 -4.21 0.90 0.00 0.00 0.00 0.00 23.12 19.74 1i3k s ALA 322 CO 0.02 -3.23 1.71 0.00 0.00 0.00 0.00 175.76 174.26 1i3k n ALA 323 N 8.92 1.90 -2.81 0.00 0.00 -1.26 -4.82 120.51 122.44 1i3k n ALA 323 Ca 0.06 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1i3k n ALA 323 Cb 0.49 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1i3k n ALA 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3k s LEU 324 N -4.03 3.66 0.79 0.00 1.43 -1.26 -5.08 118.68 114.19 1i3k s LEU 324 Ca 0.08 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1i3k s LEU 324 Cb 0.11 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.59 1i3k s LEU 324 CO 0.44 0.26 1.09 -0.83 0.23 0.00 0.00 176.35 177.54 1i3k s GLY 325 N -0.16 1.76 0.20 -3.19 0.00 -1.26 -4.63 107.32 100.04 1i3k s GLY 325 Ca 0.06 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1i3k s GLY 325 CO 0.02 -0.90 1.73 -2.00 0.00 0.00 0.00 173.10 171.94 1i3k h LEU 326 N -0.86 0.09 -0.76 0.66 5.85 -1.98 -1.03 115.31 117.28 1i3k h LEU 326 Ca -0.39 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1i3k h LEU 326 Cb 1.26 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1i3k h LEU 326 CO 0.41 0.07 0.27 0.44 -0.34 0.00 0.00 178.44 179.29 1i3k h ASP 327 N 0.31 1.07 -0.58 1.25 3.32 -1.95 -1.44 116.42 118.39 1i3k h ASP 327 Ca 0.28 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1i3k h ASP 327 Cb 0.36 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1i3k h ASP 327 CO -0.32 0.97 0.38 0.03 -1.72 0.00 0.00 179.24 178.58 1i3k h ARG 328 N 1.11 0.75 -0.28 3.56 2.47 -1.76 0.21 114.38 120.44 1i3k h ARG 328 Ca 0.25 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1i3k h ARG 328 Cb 0.26 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1i3k h ARG 328 CO -0.01 0.50 0.17 0.52 0.56 0.00 0.00 179.97 181.70 1i3k h MET 329 N 0.78 0.33 -0.26 0.04 2.86 -0.84 -0.23 114.93 117.62 1i3k h MET 329 Ca 0.22 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1i3k h MET 329 Cb -0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1i3k h MET 329 CO -0.05 0.22 -0.18 0.00 1.06 0.00 0.00 176.91 177.96 1i3k h GLU 331 N 0.30 1.22 -0.26 0.00 5.08 -0.46 0.45 114.58 120.92 1i3k h GLU 331 Ca 0.05 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1i3k h GLU 331 Cb 0.71 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1i3k h GLU 331 CO 0.05 0.90 -0.49 -0.44 -1.00 0.00 0.00 179.01 178.04 1i3k h ASP 332 N 1.23 0.78 -0.38 1.42 3.32 -0.97 -0.77 116.42 121.05 1i3k h ASP 332 Ca 0.31 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1i3k h ASP 332 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1i3k h ASP 332 CO -0.05 1.13 -0.06 0.25 -1.72 0.00 0.00 179.24 178.80 1i3k h LEU 333 N 0.56 0.71 -0.54 1.55 5.85 -1.12 -2.47 115.31 119.84 1i3k h LEU 333 Ca 0.03 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1i3k h LEU 333 Cb 1.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1i3k h LEU 333 CO 0.10 0.89 0.30 -0.25 -0.34 0.00 0.00 178.44 179.14 1i3k h TRP 334 N 0.52 0.74 -0.68 1.25 2.91 -0.70 -0.57 115.95 119.42 1i3k h TRP 334 Ca 0.10 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.14 1i3k h TRP 334 Cb 0.56 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.92 1i3k h TRP 334 CO 0.05 0.54 0.41 -0.09 -1.03 0.00 0.00 178.44 178.31 1i3k h ARG 335 N 0.73 0.76 -0.46 2.65 2.43 -1.01 0.18 114.38 119.65 1i3k h ARG 335 Ca 0.19 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1i3k h ARG 335 Cb 0.04 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1i3k h ARG 335 CO -0.03 0.50 0.14 2.35 -1.51 0.00 0.00 179.97 181.42 1i3k h TRP 336 N 0.78 0.75 -0.41 2.20 2.91 -1.08 -0.34 115.95 120.76 1i3k h TRP 336 Ca 0.28 -0.08 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 1i3k h TRP 336 Cb 0.08 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1i3k h TRP 336 CO -0.05 0.67 0.05 0.37 -1.03 0.00 0.00 178.44 178.45 1i3k h GLN 337 N 0.62 0.69 -0.11 2.65 5.75 -0.60 -1.07 115.11 123.03 1i3k h GLN 337 Ca 0.15 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1i3k h GLN 337 Cb 0.28 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 1i3k h GLN 337 CO -0.00 0.74 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.66 1i3k h LYS 338 N 0.54 0.22 0.00 1.69 3.64 -0.56 -2.41 116.57 119.69 1i3k h LYS 338 Ca 0.12 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1i3k h LYS 338 Cb 0.39 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1i3k h LYS 338 CO 0.01 0.54 -0.09 1.96 -2.27 0.00 0.00 179.45 179.60 1i3k h GLN 339 N -0.11 0.00 -2.17 1.90 4.20 -1.04 -3.33 115.11 114.56 1i3k h GLN 339 Ca 0.03 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.16 1i3k h GLN 339 Cb 0.47 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.85 1i3k h GLN 339 CO 0.01 0.09 -0.99 0.09 -0.67 0.00 0.00 178.83 177.36 1i3k n ASN 340 N -3.32 0.56 -0.26 1.46 3.02 -0.41 -4.97 115.26 111.35 1i3k n ASN 340 Ca -0.01 -2.72 0.32 0.00 -0.03 0.00 0.00 54.58 52.15 1i3k n ASN 340 Cb 0.29 -0.63 0.74 0.00 -0.61 0.00 0.00 39.78 39.57 1i3k n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1i3k h PRO 341 N 4.50 0.00 -0.26 3.52 0.11 -1.55 -0.91 132.00 137.41 1i3k h PRO 341 Ca 0.14 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.04 1i3k h PRO 341 Cb 0.86 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.77 1i3k h PRO 341 CO 0.49 0.00 -0.69 -1.13 -0.21 0.00 0.00 178.00 176.47 1i3k n SER 342 N -4.20 2.67 0.00 -2.05 3.41 -1.26 -5.05 113.62 107.14 1i3k n SER 342 Ca 0.23 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1i3k n SER 342 Cb 1.13 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1i3k n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3k n GLY 343 N -0.81 0.21 3.81 5.00 0.00 -0.35 -4.77 105.19 108.28 1i3k n GLY 343 Ca 0.25 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1i3k n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3k s PHE 344 N 0.00 3.14 0.10 1.61 0.08 -1.26 -4.85 117.98 116.80 1i3k s PHE 344 Ca 0.00 1.56 -0.10 0.00 0.12 0.00 0.00 56.93 58.51 1i3k s PHE 344 Cb 0.00 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1i3k s PHE 344 CO 0.00 -0.62 0.23 0.20 -0.10 0.00 0.00 175.22 174.93 1i3k s GLY 345 N -2.31 0.05 0.63 4.36 0.00 -1.26 -5.09 107.32 103.68 1i3k s GLY 345 Ca 0.64 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.69 1i3k s GLY 345 CO 0.22 -0.72 1.05 -0.51 0.00 0.00 0.00 173.10 173.14 1i3k s THR 346 N -3.86 3.98 0.53 0.90 -4.23 -1.26 -4.91 115.64 106.79 1i3k s THR 346 Ca 0.05 0.82 -0.22 0.00 -1.18 0.00 0.00 61.69 61.15 1i3k s THR 346 Cb 0.04 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 1i3k s THR 346 CO -0.11 -0.67 1.31 0.00 -0.54 0.00 0.00 174.62 174.61 1i3k n GLN 347 N -2.42 1.69 0.00 3.99 6.02 -1.26 -4.96 117.38 120.44 1i3k n GLN 347 Ca 0.08 0.62 0.16 0.00 -0.01 0.00 0.00 57.00 57.84 1i3k n GLN 347 Cb 0.53 -2.51 0.84 0.00 1.02 0.00 0.00 30.24 30.13 1i3k n GLN 347 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05