#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi5 s GLN 2 N 0.00 4.22 -0.08 -0.67 0.74 -1.26 -5.02 119.66 117.58 1qi5 s GLN 2 Ca 0.00 1.88 0.12 0.00 0.05 0.00 0.00 55.36 57.41 1qi5 s GLN 2 Cb 0.00 -2.83 0.18 0.00 1.10 0.00 0.00 33.01 31.46 1qi5 s GLN 2 CO 0.00 -0.19 1.08 0.00 -0.55 0.00 0.00 175.29 175.63 1qi5 n ALA 3 N 0.39 2.13 -1.54 1.58 0.00 -1.26 -3.61 120.51 118.20 1qi5 n ALA 3 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.47 1qi5 n ALA 3 Cb 0.45 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1qi5 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qi5 n GLY 4 N -0.93 -0.16 3.89 0.00 0.00 -1.26 -4.18 105.19 102.56 1qi5 n GLY 4 Ca 0.10 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1qi5 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi5 s LYS 5 N -2.01 3.68 1.15 1.61 1.02 -1.26 -1.34 119.74 122.60 1qi5 s LYS 5 Ca 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 1qi5 s LYS 5 Cb 0.00 -2.69 0.26 0.00 -0.52 0.00 0.00 37.83 34.88 1qi5 s LYS 5 CO 0.00 0.30 1.09 -1.54 -0.92 0.00 0.00 175.35 174.28 1qi5 s SER 6 N -2.77 1.31 0.54 2.83 1.04 0.12 -4.83 113.70 111.95 1qi5 s SER 6 Ca 0.44 0.86 0.36 0.00 0.48 0.00 0.00 55.95 58.09 1qi5 s SER 6 Cb -0.11 -1.28 1.82 0.00 0.10 0.00 0.00 66.02 66.55 1qi5 s SER 6 CO 0.26 -3.91 2.09 -0.65 0.98 0.00 0.00 173.24 172.01 1qi5 h PRO 7 N -2.43 0.00 -0.53 4.02 0.11 -1.99 0.81 132.00 132.00 1qi5 h PRO 7 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qi5 h PRO 7 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1qi5 h PRO 7 CO 0.43 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 1qi5 n ASN 8 N -2.84 3.56 -0.80 -2.05 3.02 -1.26 -4.95 115.26 109.94 1qi5 n ASN 8 Ca -0.01 -2.09 -0.08 0.00 -0.03 0.00 0.00 54.58 52.36 1qi5 n ASN 8 Cb 0.13 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1qi5 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qi5 n ALA 9 N 0.97 -0.19 -2.31 5.41 0.00 0.28 -5.01 120.51 119.66 1qi5 n ALA 9 Ca 0.19 0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 1qi5 n ALA 9 Cb 0.57 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1qi5 n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qi5 s VAL 10 N -2.37 4.64 -0.99 0.00 1.01 -1.26 -4.69 120.40 116.75 1qi5 s VAL 10 Ca 0.00 1.71 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 1qi5 s VAL 10 Cb 0.00 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1qi5 s VAL 10 CO 0.00 0.38 2.09 0.54 0.00 0.00 0.00 175.10 178.11 1qi5 n ARG 11 N 2.61 2.03 -0.04 2.72 1.74 -0.67 -0.70 116.66 124.34 1qi5 n ARG 11 Ca -0.02 -1.93 0.12 0.00 -0.77 0.00 0.00 57.85 55.25 1qi5 n ARG 11 Cb 0.50 -2.88 0.24 0.00 -1.02 0.00 0.00 32.46 29.30 1qi5 n ARG 11 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1qi5 n TYR 12 N 6.25 0.11 -3.75 -1.55 4.11 -1.26 -3.01 117.16 118.05 1qi5 n TYR 12 Ca 0.51 -0.05 -0.30 0.00 -0.00 0.00 0.00 57.90 58.05 1qi5 n TYR 12 Cb 0.33 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.69 1qi5 n TYR 12 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1qi5 n HIS 13 N 1.01 -1.94 0.00 -3.48 -0.00 -1.02 -1.32 115.22 108.48 1qi5 n HIS 13 Ca 0.16 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.43 1qi5 n HIS 13 Cb 0.52 -3.13 0.00 0.00 -0.00 0.00 0.00 29.99 27.38 1qi5 n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qi5 n GLY 14 N -1.79 2.97 2.23 1.57 0.00 -0.45 -3.90 105.19 105.83 1qi5 n GLY 14 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1qi5 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi5 n GLY 15 N -2.00 -0.00 0.27 -0.02 0.00 -0.43 -4.86 105.19 98.14 1qi5 n GLY 15 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1qi5 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qi5 n ASP 16 N -0.23 1.68 -4.85 1.61 5.75 -1.25 -1.40 116.55 117.86 1qi5 n ASP 16 Ca -0.14 -2.86 -0.32 0.00 -0.01 0.00 0.00 54.79 51.46 1qi5 n ASP 16 Cb 0.59 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 1qi5 n ASP 16 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1qi5 s GLU 17 N -2.12 3.97 -0.22 0.11 0.41 -1.26 -4.98 118.70 114.61 1qi5 s GLU 17 Ca 0.25 0.73 -0.03 0.00 -0.41 0.00 0.00 54.97 55.52 1qi5 s GLU 17 Cb 0.22 -2.33 0.07 0.00 -1.78 0.00 0.00 34.13 30.32 1qi5 s GLU 17 CO 0.01 0.00 0.06 0.42 -0.49 0.00 0.00 175.26 175.26 1qi5 s ILE 18 N -2.23 0.48 -0.12 -1.63 1.01 -1.26 -4.33 121.20 113.12 1qi5 s ILE 18 Ca 0.55 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 1qi5 s ILE 18 Cb -0.10 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1qi5 s ILE 18 CO 0.23 -0.34 0.11 -0.63 0.00 0.00 0.00 174.94 174.31 1qi5 s ILE 19 N 1.86 5.27 -0.19 2.92 1.01 -0.83 -0.30 121.20 130.94 1qi5 s ILE 19 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1qi5 s ILE 19 Cb -0.17 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1qi5 s ILE 19 CO -0.14 0.61 0.06 -0.22 0.00 0.00 0.00 174.94 175.25 1qi5 s LEU 20 N -0.93 3.80 -0.48 2.97 2.96 -0.44 -0.60 118.68 125.95 1qi5 s LEU 20 Ca 0.14 0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 53.85 1qi5 s LEU 20 Cb -0.12 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.64 1qi5 s LEU 20 CO 0.03 0.17 1.03 -1.58 -1.32 0.00 0.00 176.35 174.68 1qi5 s GLN 21 N 0.42 3.58 0.00 1.98 0.74 0.60 -0.67 119.66 126.32 1qi5 s GLN 21 Ca 0.03 0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1qi5 s GLN 21 Cb -0.12 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.05 1qi5 s GLN 21 CO 0.00 -1.34 0.41 0.41 -0.55 0.00 0.00 175.29 174.22 1qi5 n GLY 22 N 4.93 1.01 3.73 2.59 0.00 0.26 -2.41 105.19 115.30 1qi5 n GLY 22 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1qi5 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qi5 s PHE 23 N -0.48 -0.05 0.33 1.61 -0.71 -1.26 -4.77 117.98 112.64 1qi5 s PHE 23 Ca 0.00 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 1qi5 s PHE 23 Cb 0.00 0.60 -0.06 0.00 -1.21 0.00 0.00 43.02 42.36 1qi5 s PHE 23 CO 0.00 -0.56 0.07 -3.38 -1.34 0.00 0.00 175.22 170.02 1qi5 s HIS 24 N -2.66 1.87 0.36 3.49 -3.43 -1.26 -4.40 115.29 109.26 1qi5 s HIS 24 Ca 0.16 -1.04 0.06 0.00 -0.80 0.00 0.00 55.06 53.44 1qi5 s HIS 24 Cb 0.01 -1.21 0.69 0.00 -1.43 0.00 0.00 32.58 30.64 1qi5 s HIS 24 CO -0.00 -0.09 1.91 2.35 -2.00 0.00 0.00 174.74 176.90 1qi5 h TRP 25 N 2.10 0.46 -0.56 0.38 2.91 -1.90 -3.24 115.95 116.11 1qi5 h TRP 25 Ca -0.40 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.50 1qi5 h TRP 25 Cb 1.25 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.72 1qi5 h TRP 25 CO 0.70 0.46 0.10 0.09 -1.03 0.00 0.00 178.44 178.77 1qi5 n ASN 26 N -4.30 4.81 -0.17 2.65 5.03 -1.26 -4.57 115.26 117.45 1qi5 n ASN 26 Ca 0.01 -2.90 -0.05 0.00 0.87 0.00 0.00 54.58 52.50 1qi5 n ASN 26 Cb 0.23 -0.68 0.04 0.00 -1.02 0.00 0.00 39.78 38.35 1qi5 n ASN 26 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1qi5 h VAL 27 N 2.96 1.02 0.00 2.41 2.07 -1.91 0.85 116.25 123.65 1qi5 h VAL 27 Ca 0.10 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1qi5 h VAL 27 Cb 1.93 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1qi5 h VAL 27 CO 0.52 0.10 0.00 -0.37 0.02 0.00 0.00 177.57 177.84 1qi5 h VAL 28 N 0.57 0.00 0.00 2.57 -1.51 -1.83 0.30 116.25 116.35 1qi5 h VAL 28 Ca 0.21 -0.12 -0.35 0.00 -1.23 0.00 0.00 66.70 65.21 1qi5 h VAL 28 Cb 0.06 0.81 -0.06 0.00 -2.13 0.00 0.00 31.29 29.97 1qi5 h VAL 28 CO -0.11 0.00 -2.32 0.54 -1.23 0.00 0.00 177.57 174.44 1qi5 n ARG 29 N -2.49 0.78 0.08 5.19 1.74 -0.50 -3.98 116.66 117.48 1qi5 n ARG 29 Ca -0.01 0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.91 1qi5 n ARG 29 Cb 0.12 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 1qi5 n ARG 29 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qi5 h GLU 30 N 0.00 0.40 -2.06 5.56 4.39 -0.56 -3.40 114.58 118.91 1qi5 h GLU 30 Ca -0.52 -0.69 -0.52 0.00 0.34 0.00 0.00 59.36 57.97 1qi5 h GLU 30 Cb 2.00 0.26 -0.41 0.00 -0.10 0.00 0.00 28.75 30.50 1qi5 h GLU 30 CO -0.03 1.32 -0.97 0.00 -1.16 0.00 0.00 179.01 178.17 1qi5 n ALA 31 N -2.82 3.19 -1.67 3.43 0.00 0.10 -5.07 120.51 117.67 1qi5 n ALA 31 Ca -0.23 -3.93 -0.50 0.00 0.00 0.00 0.00 53.44 48.79 1qi5 n ALA 31 Cb 1.08 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1qi5 n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qi5 n PRO 32 N 0.04 1.92 -1.29 0.00 -0.04 -1.23 -0.97 135.00 133.43 1qi5 n PRO 32 Ca 0.27 0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 64.33 1qi5 n PRO 32 Cb 0.56 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 1qi5 n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qi5 n ASN 33 N 6.72 -5.28 0.00 3.54 3.02 0.21 -4.79 115.26 118.68 1qi5 n ASN 33 Ca 0.25 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1qi5 n ASN 33 Cb 0.26 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 1qi5 n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1qi5 n ASP 34 N -0.83 0.24 -0.22 6.41 2.03 -0.14 -4.28 116.55 119.76 1qi5 n ASP 34 Ca -0.10 -0.59 0.01 0.00 0.52 0.00 0.00 54.79 54.63 1qi5 n ASP 34 Cb 0.51 0.61 0.12 0.00 -0.72 0.00 0.00 41.12 41.64 1qi5 n ASP 34 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1qi5 h TRP 35 N 0.00 0.46 -0.32 -0.67 2.91 -1.37 -1.12 115.95 115.84 1qi5 h TRP 35 Ca 0.00 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1qi5 h TRP 35 Cb 0.02 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1qi5 h TRP 35 CO 0.00 0.12 0.00 1.88 -1.03 0.00 0.00 178.44 179.42 1qi5 h TYR 36 N 0.45 0.51 -0.30 2.65 0.05 -1.67 -1.36 116.97 117.30 1qi5 h TYR 36 Ca 0.33 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 59.03 1qi5 h TYR 36 Cb 0.41 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1qi5 h TYR 36 CO -0.15 0.50 0.07 -0.91 -1.05 0.00 0.00 178.16 176.62 1qi5 h ASN 37 N 0.48 0.46 -0.20 3.88 2.35 -1.55 -1.15 115.58 119.83 1qi5 h ASN 37 Ca 0.10 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1qi5 h ASN 37 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1qi5 h ASN 37 CO 0.01 0.57 0.11 0.40 -1.65 0.00 0.00 177.43 176.88 1qi5 h ILE 38 N 0.32 1.02 -0.66 2.81 2.04 -0.66 -1.94 117.51 120.44 1qi5 h ILE 38 Ca 0.09 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1qi5 h ILE 38 Cb 0.29 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1qi5 h ILE 38 CO 0.00 0.04 0.30 -0.07 0.00 0.00 0.00 178.15 178.43 1qi5 h LEU 39 N 0.24 0.86 -0.89 1.44 3.38 -1.19 -0.99 115.31 118.18 1qi5 h LEU 39 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1qi5 h LEU 39 Cb -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1qi5 h LEU 39 CO -0.04 0.75 0.14 -0.09 0.09 0.00 0.00 178.44 179.29 1qi5 h ARG 40 N 0.95 0.96 0.00 1.13 2.43 -0.79 -1.28 114.38 117.77 1qi5 h ARG 40 Ca 0.23 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1qi5 h ARG 40 Cb 0.13 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1qi5 h ARG 40 CO -0.03 0.86 -0.62 1.96 -1.51 0.00 0.00 179.97 180.64 1qi5 h GLN 41 N 0.92 0.00 0.00 0.20 4.20 -0.86 -3.25 115.11 116.32 1qi5 h GLN 41 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1qi5 h GLN 41 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1qi5 h GLN 41 CO 0.00 0.62 -0.68 1.96 -0.67 0.00 0.00 178.83 180.07 1qi5 h GLN 42 N 0.00 0.00 -0.91 1.46 7.50 -1.04 -3.41 115.11 118.72 1qi5 h GLN 42 Ca -0.01 0.00 0.24 0.00 0.50 0.00 0.00 58.65 59.38 1qi5 h GLN 42 Cb 1.33 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.70 1qi5 h GLN 42 CO 0.08 0.00 0.07 0.00 -1.50 0.00 0.00 178.83 177.48 1qi5 h ALA 43 N 2.48 1.10 -0.30 3.87 0.00 -1.27 0.18 119.26 125.32 1qi5 h ALA 43 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1qi5 h ALA 43 Cb 0.76 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1qi5 h ALA 43 CO 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 179.25 178.32 1qi5 h ALA 44 N 1.87 0.72 0.20 0.00 0.00 -1.84 -1.88 119.26 118.34 1qi5 h ALA 44 Ca 0.54 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qi5 h ALA 44 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qi5 h ALA 44 CO -0.80 0.66 -0.10 1.15 0.00 0.00 0.00 179.25 180.17 1qi5 h THR 45 N 0.59 0.87 -0.76 0.00 2.02 -1.16 -1.02 112.91 113.45 1qi5 h THR 45 Ca 0.05 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 66.92 1qi5 h THR 45 Cb 0.95 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 1qi5 h THR 45 CO 0.09 0.09 0.42 0.40 0.37 0.00 0.00 175.52 176.89 1qi5 h ILE 46 N -0.47 0.91 -0.56 3.11 2.04 -0.77 -0.68 117.51 121.09 1qi5 h ILE 46 Ca -0.03 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1qi5 h ILE 46 Cb 0.35 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1qi5 h ILE 46 CO 0.05 0.13 0.09 0.00 0.00 0.00 0.00 178.15 178.42 1qi5 h ALA 47 N 1.42 0.74 0.00 1.87 0.00 -1.23 -2.90 119.26 119.17 1qi5 h ALA 47 Ca 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qi5 h ALA 47 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1qi5 h ALA 47 CO -0.24 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.32 1qi5 h ALA 48 N 1.00 1.13 0.00 0.00 0.00 -0.49 -2.76 119.26 118.13 1qi5 h ALA 48 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qi5 h ALA 48 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qi5 h ALA 48 CO 0.01 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.03 1qi5 h ASP 49 N 0.00 0.00 0.00 0.00 3.32 -0.94 -3.47 116.42 115.33 1qi5 h ASP 49 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qi5 h ASP 49 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1qi5 h ASP 49 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1qi5 n GLY 50 N 0.74 1.13 3.77 2.75 0.00 -1.04 -4.83 105.19 107.72 1qi5 n GLY 50 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1qi5 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qi5 s PHE 51 N -2.00 3.37 -0.55 1.61 0.08 -1.19 -4.84 117.98 114.45 1qi5 s PHE 51 Ca 0.00 1.66 0.14 0.00 0.12 0.00 0.00 56.93 58.85 1qi5 s PHE 51 Cb 0.00 -3.23 -0.17 0.00 -0.57 0.00 0.00 43.02 39.05 1qi5 s PHE 51 CO 0.00 -0.69 0.56 -1.13 -0.10 0.00 0.00 175.22 173.86 1qi5 n SER 52 N 0.46 0.86 -3.56 1.36 3.41 0.59 -4.72 113.62 112.03 1qi5 n SER 52 Ca 0.02 -0.68 -0.14 0.00 -0.26 0.00 0.00 58.87 57.82 1qi5 n SER 52 Cb 0.47 1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 65.51 1qi5 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qi5 s ALA 53 N -2.50 -1.37 -0.03 7.33 0.00 -1.11 -1.51 121.76 122.57 1qi5 s ALA 53 Ca 0.03 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1qi5 s ALA 53 Cb 0.11 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1qi5 s ALA 53 CO 0.60 -0.52 -0.14 -1.50 0.00 0.00 0.00 175.76 174.19 1qi5 s ILE 54 N -2.51 1.19 -0.50 0.00 2.07 -0.39 -1.33 121.20 119.72 1qi5 s ILE 54 Ca -0.05 -0.60 -0.18 0.00 -1.41 0.00 0.00 60.65 58.41 1qi5 s ILE 54 Cb -0.01 -1.02 0.07 0.00 0.13 0.00 0.00 42.46 41.63 1qi5 s ILE 54 CO -0.02 0.35 0.54 0.86 -1.91 0.00 0.00 174.94 174.76 1qi5 s TRP 55 N -0.02 3.12 0.53 3.50 -0.00 0.16 -0.21 118.94 126.02 1qi5 s TRP 55 Ca -0.01 -0.73 -0.15 0.00 -0.00 0.00 0.00 56.10 55.21 1qi5 s TRP 55 Cb -0.09 -3.44 -0.07 0.00 -0.00 0.00 0.00 33.47 29.87 1qi5 s TRP 55 CO 0.01 -0.96 0.99 -1.64 -0.00 0.00 0.00 176.95 175.34 1qi5 s MET 56 N 2.24 3.89 1.11 5.86 -1.94 0.67 -0.57 119.30 130.55 1qi5 s MET 56 Ca 0.10 0.90 -0.13 0.00 -1.71 0.00 0.00 55.69 54.86 1qi5 s MET 56 Cb -0.22 -2.14 0.25 0.00 2.01 0.00 0.00 34.83 34.74 1qi5 s MET 56 CO 0.09 -0.31 1.06 -2.14 -0.01 0.00 0.00 175.02 173.71 1qi5 s PRO 57 N -4.25 -0.47 0.03 2.03 0.02 -1.26 -2.99 135.00 128.11 1qi5 s PRO 57 Ca 0.58 0.59 -0.30 0.00 0.02 0.00 0.00 61.00 61.89 1qi5 s PRO 57 Cb -0.10 -1.63 -0.08 0.00 0.02 0.00 0.00 34.50 32.71 1qi5 s PRO 57 CO 0.35 -3.36 1.80 0.08 -0.33 0.00 0.00 177.00 175.55 1qi5 s VAL 58 N -2.72 3.13 0.15 3.83 1.01 -1.26 -4.15 120.40 120.40 1qi5 s VAL 58 Ca 0.67 0.31 0.21 0.00 0.00 0.00 0.00 61.98 63.17 1qi5 s VAL 58 Cb -0.21 -3.20 0.17 0.00 0.00 0.00 0.00 36.38 33.14 1qi5 s VAL 58 CO 0.61 -0.02 1.77 1.55 0.00 0.00 0.00 175.10 179.01 1qi5 h PRO 59 N 9.62 0.00 -6.23 2.72 0.13 -1.91 -3.44 132.00 132.89 1qi5 h PRO 59 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1qi5 h PRO 59 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1qi5 h PRO 59 CO 0.94 0.31 1.02 -1.58 -0.23 0.00 0.00 178.00 178.46 1qi5 s TRP 60 N -3.63 2.30 0.25 1.56 0.51 -1.26 -4.18 118.94 114.49 1qi5 s TRP 60 Ca 0.00 0.49 -0.31 0.00 -2.12 0.00 0.00 56.10 54.17 1qi5 s TRP 60 Cb 0.11 -3.77 -0.13 0.00 -0.81 0.00 0.00 33.47 28.87 1qi5 s TRP 60 CO 0.67 -3.06 1.36 2.89 -0.51 0.00 0.00 176.95 178.29 1qi5 n ARG 61 N 6.90 1.96 -3.80 4.98 1.85 -0.39 -4.76 116.66 123.41 1qi5 n ARG 61 Ca 0.16 0.70 -0.29 0.00 -1.00 0.00 0.00 57.85 57.42 1qi5 n ARG 61 Cb 0.43 -2.32 -0.16 0.00 -1.05 0.00 0.00 32.46 29.36 1qi5 n ARG 61 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1qi5 s ASP 62 N 0.16 3.39 -0.25 2.89 -1.08 -1.26 -2.82 116.67 117.70 1qi5 s ASP 62 Ca 0.66 -1.07 0.12 0.00 -0.52 0.00 0.00 52.55 51.75 1qi5 s ASP 62 Cb -0.65 -0.83 0.53 0.00 -1.46 0.00 0.00 42.92 40.51 1qi5 s ASP 62 CO 0.52 -0.30 1.48 0.49 0.52 0.00 0.00 175.17 177.88 1qi5 n PHE 63 N 4.89 1.16 -1.21 -5.34 3.72 -1.26 -3.89 117.46 115.53 1qi5 n PHE 63 Ca -0.09 -1.26 -0.29 0.00 -0.05 0.00 0.00 57.45 55.76 1qi5 n PHE 63 Cb 0.45 -0.44 0.18 0.00 -0.94 0.00 0.00 39.48 38.74 1qi5 n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1qi5 s SER 64 N -2.15 2.48 -0.18 4.37 1.04 -1.26 -4.84 113.70 113.16 1qi5 s SER 64 Ca 0.44 1.06 -0.28 0.00 0.48 0.00 0.00 55.95 57.65 1qi5 s SER 64 Cb 0.38 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.94 1qi5 s SER 64 CO 0.05 -3.21 0.84 -0.55 0.98 0.00 0.00 173.24 171.36 1qi5 s SER 65 N -3.60 -0.56 0.19 7.02 0.15 -1.26 -3.11 113.70 112.53 1qi5 s SER 65 Ca 0.66 0.84 -0.23 0.00 0.70 0.00 0.00 55.95 57.92 1qi5 s SER 65 Cb -0.17 0.76 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1qi5 s SER 65 CO 0.57 -0.37 0.64 -1.66 1.20 0.00 0.00 173.24 173.62 1qi5 s TRP 66 N -0.52 -0.44 -0.27 3.44 1.48 -0.92 -4.95 118.94 116.76 1qi5 s TRP 66 Ca -0.03 0.15 -0.23 0.00 -1.06 0.00 0.00 56.10 54.93 1qi5 s TRP 66 Cb -0.02 0.60 0.07 0.00 -1.16 0.00 0.00 33.47 32.96 1qi5 s TRP 66 CO 0.02 -0.96 0.73 0.45 -4.06 0.00 0.00 176.95 173.13 1qi5 s SER 67 N -2.80 -0.78 -0.39 -2.66 0.15 -1.26 -2.17 113.70 103.79 1qi5 s SER 67 Ca 0.04 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.16 1qi5 s SER 67 Cb -0.02 1.43 0.16 0.00 -1.71 0.00 0.00 66.02 65.88 1qi5 s SER 67 CO -0.07 -0.24 0.38 1.51 1.20 0.00 0.00 173.24 176.02 1qi5 s ASP 68 N 0.64 1.20 0.41 5.45 1.47 0.08 -5.00 116.67 120.92 1qi5 s ASP 68 Ca -0.02 -2.01 0.00 0.00 1.18 0.00 0.00 52.55 51.70 1qi5 s ASP 68 Cb -0.05 0.35 0.00 0.00 -0.34 0.00 0.00 42.92 42.88 1qi5 s ASP 68 CO -0.04 -0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.20 1qi5 n GLY 69 N 3.77 1.31 0.01 2.12 0.00 -1.26 -3.28 105.19 107.86 1qi5 n GLY 69 Ca 0.16 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1qi5 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qi5 n SER 70 N 4.57 0.40 -4.72 1.61 7.64 -1.26 -4.93 113.62 116.93 1qi5 n SER 70 Ca 0.00 -0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 1qi5 n SER 70 Cb 0.00 1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 64.70 1qi5 n SER 70 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qi5 s LYS 71 N -3.31 4.61 0.04 1.43 3.01 -1.20 -5.01 119.74 119.29 1qi5 s LYS 71 Ca -0.02 1.45 -0.06 0.00 -1.01 0.00 0.00 55.97 56.34 1qi5 s LYS 71 Cb 0.15 -3.42 -0.01 0.00 -1.01 0.00 0.00 37.83 33.53 1qi5 s LYS 71 CO 0.89 0.04 0.10 -1.54 0.51 0.00 0.00 175.35 175.34 1qi5 s SER 72 N 0.63 0.18 0.13 2.83 1.04 -1.26 -0.74 113.70 116.51 1qi5 s SER 72 Ca 0.50 -0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.25 1qi5 s SER 72 Cb -0.22 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1qi5 s SER 72 CO 0.29 -0.51 0.70 0.61 0.98 0.00 0.00 173.24 175.30 1qi5 n GLY 73 N 0.74 0.84 0.00 7.32 0.00 -0.92 -4.99 105.19 108.18 1qi5 n GLY 73 Ca -0.19 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1qi5 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi5 n GLY 74 N -0.49 3.87 2.15 -0.02 0.00 -1.26 -2.17 105.19 107.26 1qi5 n GLY 74 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1qi5 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi5 n GLY 75 N -1.36 0.76 0.12 -0.02 0.00 -1.18 -4.87 105.19 98.64 1qi5 n GLY 75 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1qi5 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qi5 n GLU 76 N -2.39 0.24 0.00 1.61 4.71 -1.26 -4.60 120.64 118.95 1qi5 n GLU 76 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1qi5 n GLU 76 Cb 0.00 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.59 1qi5 n GLU 76 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qi5 n GLY 77 N 0.74 1.84 0.02 0.62 0.00 -1.26 -4.50 105.19 102.64 1qi5 n GLY 77 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1qi5 n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qi5 n TYR 78 N -0.44 0.00 -2.98 1.61 4.01 -1.26 -3.72 117.16 114.39 1qi5 n TYR 78 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1qi5 n TYR 78 Cb 0.00 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1qi5 n TYR 78 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1qi5 n PHE 79 N -0.96 -0.23 -1.58 -0.72 7.35 -1.26 -4.91 117.46 115.14 1qi5 n PHE 79 Ca 0.24 -3.24 -0.32 0.00 -0.76 0.00 0.00 57.45 53.37 1qi5 n PHE 79 Cb 0.12 0.02 0.06 0.00 0.35 0.00 0.00 39.48 40.03 1qi5 n PHE 79 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1qi5 s TRP 80 N -2.02 2.57 -0.00 -5.13 1.48 -1.24 -4.29 118.94 110.30 1qi5 s TRP 80 Ca 0.33 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.93 1qi5 s TRP 80 Cb 0.37 -3.15 -0.00 0.00 -1.16 0.00 0.00 33.47 29.53 1qi5 s TRP 80 CO -0.05 -1.78 0.01 -2.39 -4.06 0.00 0.00 176.95 168.68 1qi5 n HIS 81 N -2.79 0.00 -4.01 1.66 1.44 -1.13 0.86 115.22 111.26 1qi5 n HIS 81 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1qi5 n HIS 81 Cb 0.52 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 1qi5 n HIS 81 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1qi5 s ASP 82 N -1.56 0.03 0.00 4.39 1.01 -1.26 -4.29 116.67 114.99 1qi5 s ASP 82 Ca -0.00 -0.97 0.21 0.00 0.71 0.00 0.00 52.55 52.50 1qi5 s ASP 82 Cb 0.00 0.46 0.57 0.00 1.01 0.00 0.00 42.92 44.96 1qi5 s ASP 82 CO 0.01 -0.94 1.46 0.49 0.21 0.00 0.00 175.17 176.40 1qi5 n PHE 83 N -0.26 0.38 -2.02 4.23 3.72 -1.26 -3.76 117.46 118.50 1qi5 n PHE 83 Ca -0.05 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 56.74 1qi5 n PHE 83 Cb 0.63 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1qi5 n PHE 83 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1qi5 s ASN 84 N -1.45 6.68 0.00 4.37 3.84 -1.26 -4.73 114.94 122.39 1qi5 s ASN 84 Ca 0.34 2.46 0.31 0.00 0.21 0.00 0.00 52.86 56.19 1qi5 s ASN 84 Cb 0.19 -2.58 1.62 0.00 -0.55 0.00 0.00 41.25 39.93 1qi5 s ASN 84 CO 0.27 -0.78 2.07 0.29 -2.79 0.00 0.00 177.10 176.16 1qi5 n LYS 85 N 4.44 1.07 -2.99 0.43 4.76 -1.26 -1.26 118.16 123.36 1qi5 n LYS 85 Ca 0.14 -0.24 -0.44 0.00 -2.87 0.00 0.00 58.31 54.90 1qi5 n LYS 85 Cb 0.40 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1qi5 n LYS 85 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1qi5 s ASN 86 N -2.09 7.04 0.00 4.39 -0.87 -1.26 -3.75 114.94 118.40 1qi5 s ASN 86 Ca 0.42 -2.95 0.00 0.00 -1.57 0.00 0.00 52.86 48.77 1qi5 s ASN 86 Cb 0.21 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1qi5 s ASN 86 CO 0.38 -0.74 0.00 0.61 -2.57 0.00 0.00 177.10 174.78 1qi5 n GLY 87 N 4.13 5.96 0.01 0.66 0.00 -1.20 -4.85 105.19 109.91 1qi5 n GLY 87 Ca 0.34 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1qi5 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi5 n ARG 88 N 0.00 0.32 0.06 1.61 5.12 -1.26 -3.28 116.66 119.23 1qi5 n ARG 88 Ca 0.00 -0.02 0.11 0.00 -1.93 0.00 0.00 57.85 56.01 1qi5 n ARG 88 Cb 0.00 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.84 1qi5 n ARG 88 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1qi5 n TYR 89 N -1.32 0.55 0.00 -1.55 4.01 -1.26 0.63 117.16 118.22 1qi5 n TYR 89 Ca 0.12 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1qi5 n TYR 89 Cb 0.27 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 1qi5 n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qi5 n GLY 90 N 1.29 1.56 3.90 2.72 0.00 -1.21 -1.81 105.19 111.64 1qi5 n GLY 90 Ca 0.01 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1qi5 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qi5 s SER 91 N 0.00 4.86 0.15 1.61 1.04 -1.26 -3.21 113.70 116.89 1qi5 s SER 91 Ca 0.00 0.90 -0.17 0.00 0.48 0.00 0.00 55.95 57.16 1qi5 s SER 91 Cb 0.00 -1.51 0.06 0.00 0.10 0.00 0.00 66.02 64.67 1qi5 s SER 91 CO 0.00 -1.69 1.74 -0.78 0.98 0.00 0.00 173.24 173.49 1qi5 h ASP 92 N -0.89 0.05 -0.94 7.02 1.82 -1.95 -0.43 116.42 121.10 1qi5 h ASP 92 Ca -0.46 0.05 0.02 0.00 -0.39 0.00 0.00 57.03 56.25 1qi5 h ASP 92 Cb 1.30 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 41.32 1qi5 h ASP 92 CO 0.65 0.06 0.62 0.00 -1.61 0.00 0.00 179.24 178.96 1qi5 h ALA 93 N 1.24 1.35 -0.09 -0.78 0.00 -1.93 -0.61 119.26 118.43 1qi5 h ALA 93 Ca 0.16 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1qi5 h ALA 93 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1qi5 h ALA 93 CO -0.19 0.60 -0.52 1.96 0.00 0.00 0.00 179.25 181.09 1qi5 h GLN 94 N 1.25 0.26 0.16 0.00 4.20 -1.68 -2.41 115.11 116.89 1qi5 h GLN 94 Ca 0.35 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1qi5 h GLN 94 Cb -0.11 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1qi5 h GLN 94 CO -0.08 0.72 -0.08 1.25 -0.67 0.00 0.00 178.83 179.97 1qi5 h LEU 95 N 0.21 -0.18 -0.91 1.46 5.85 -0.36 0.13 115.31 121.50 1qi5 h LEU 95 Ca 0.01 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1qi5 h LEU 95 Cb 0.99 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1qi5 h LEU 95 CO 0.08 0.06 0.57 0.03 -0.34 0.00 0.00 178.44 178.85 1qi5 h ARG 96 N -0.43 1.00 -0.54 1.25 3.08 -1.08 0.24 114.38 117.89 1qi5 h ARG 96 Ca -0.02 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1qi5 h ARG 96 Cb 0.34 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1qi5 h ARG 96 CO 0.04 0.66 0.15 1.96 -1.07 0.00 0.00 179.97 181.71 1qi5 h GLN 97 N 1.03 0.86 -0.14 0.04 4.20 -1.16 -0.64 115.11 119.30 1qi5 h GLN 97 Ca 0.40 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1qi5 h GLN 97 Cb 0.19 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1qi5 h GLN 97 CO -0.18 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1qi5 h ALA 98 N 1.02 0.18 -0.16 3.87 0.00 -0.09 -0.75 119.26 123.34 1qi5 h ALA 98 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1qi5 h ALA 98 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1qi5 h ALA 98 CO -0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 179.25 178.95 1qi5 h ALA 99 N 0.77 1.40 -0.21 0.00 0.00 -0.35 -0.62 119.26 120.25 1qi5 h ALA 99 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1qi5 h ALA 99 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1qi5 h ALA 99 CO 0.01 0.41 -0.05 1.03 0.00 0.00 0.00 179.25 180.65 1qi5 h SER 100 N 0.25 0.40 -0.60 0.00 0.87 -1.00 -1.35 113.55 112.13 1qi5 h SER 100 Ca 0.05 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1qi5 h SER 100 Cb 0.47 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1qi5 h SER 100 CO 0.03 0.68 0.16 0.00 -0.53 0.00 0.00 176.83 177.17 1qi5 h ALA 101 N 0.74 0.79 0.26 6.23 0.00 -0.86 -0.71 119.26 125.70 1qi5 h ALA 101 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qi5 h ALA 101 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qi5 h ALA 101 CO 0.02 0.48 -0.12 -0.07 0.00 0.00 0.00 179.25 179.56 1qi5 h LEU 102 N 0.86 -0.30 -1.55 0.00 3.38 -1.08 -2.57 115.31 114.05 1qi5 h LEU 102 Ca 0.19 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1qi5 h LEU 102 Cb 0.33 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1qi5 h LEU 102 CO -0.00 0.07 0.37 1.23 0.09 0.00 0.00 178.44 180.20 1qi5 h GLY 103 N -0.70 0.68 2.00 0.83 0.00 -1.17 -1.23 103.07 103.48 1qi5 h GLY 103 Ca -0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1qi5 h GLY 103 CO 0.06 0.18 -0.54 -1.33 0.00 0.00 0.00 176.54 174.90 1qi5 h GLY 104 N 0.56 0.00 1.16 4.60 0.00 -1.09 -2.66 103.07 105.63 1qi5 h GLY 104 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1qi5 h GLY 104 CO -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.41 1qi5 n ALA 105 N -2.39 2.66 -0.44 3.60 0.00 -0.79 -4.92 120.51 118.24 1qi5 n ALA 105 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1qi5 n ALA 105 Cb 0.58 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1qi5 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qi5 n GLY 106 N 1.27 0.78 3.63 0.00 0.00 -1.00 -4.83 105.19 105.04 1qi5 n GLY 106 Ca 0.15 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1qi5 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qi5 s VAL 107 N -2.00 5.24 0.45 1.61 1.01 -0.53 -4.83 120.40 121.34 1qi5 s VAL 107 Ca 0.00 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 1qi5 s VAL 107 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1qi5 s VAL 107 CO 0.00 0.23 1.19 -0.54 0.00 0.00 0.00 175.10 175.99 1qi5 s LYS 108 N 1.65 3.80 -0.32 2.72 1.02 -0.57 -3.08 119.74 124.96 1qi5 s LYS 108 Ca 0.13 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 57.87 1qi5 s LYS 108 Cb -0.15 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1qi5 s LYS 108 CO 0.09 -0.54 0.21 0.08 -0.92 0.00 0.00 175.35 174.26 1qi5 s VAL 109 N -1.47 5.11 -0.21 3.17 1.01 -1.26 -1.27 120.40 125.48 1qi5 s VAL 109 Ca 0.62 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 1qi5 s VAL 109 Cb -0.31 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1qi5 s VAL 109 CO 0.38 0.06 0.03 -0.76 0.00 0.00 0.00 175.10 174.81 1qi5 s LEU 110 N 1.70 3.40 0.05 3.92 1.43 0.71 0.46 118.68 130.35 1qi5 s LEU 110 Ca 0.06 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1qi5 s LEU 110 Cb -0.17 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1qi5 s LEU 110 CO 0.09 0.05 0.29 -0.31 0.23 0.00 0.00 176.35 176.71 1qi5 s TYR 111 N 1.07 3.55 -0.13 0.29 2.02 -0.46 -0.24 117.35 123.45 1qi5 s TYR 111 Ca 0.03 0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 57.00 1qi5 s TYR 111 Cb -0.14 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1qi5 s TYR 111 CO 0.02 0.57 0.86 0.34 -1.57 0.00 0.00 175.55 175.77 1qi5 s ASP 112 N -1.99 7.05 -0.04 2.29 -1.08 -1.16 -0.52 116.67 121.23 1qi5 s ASP 112 Ca 0.32 1.29 0.05 0.00 -0.52 0.00 0.00 52.55 53.69 1qi5 s ASP 112 Cb -0.13 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 1qi5 s ASP 112 CO 0.20 -0.36 -0.19 0.68 0.52 0.00 0.00 175.17 176.01 1qi5 s VAL 113 N 1.87 1.58 -0.70 1.11 -7.23 0.16 -4.19 120.40 113.00 1qi5 s VAL 113 Ca 0.41 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.81 1qi5 s VAL 113 Cb -0.17 -1.34 0.17 0.00 0.56 0.00 0.00 36.38 35.60 1qi5 s VAL 113 CO 0.15 0.45 0.49 -0.69 -0.31 0.00 0.00 175.10 175.19 1qi5 s VAL 114 N -0.16 3.02 -0.63 1.32 1.01 -1.26 -0.82 120.40 122.89 1qi5 s VAL 114 Ca -0.00 -4.08 0.25 0.00 0.00 0.00 0.00 61.98 58.15 1qi5 s VAL 114 Cb -0.11 -2.98 0.25 0.00 0.00 0.00 0.00 36.38 33.54 1qi5 s VAL 114 CO 0.01 -0.98 1.63 -0.65 0.00 0.00 0.00 175.10 175.11 1qi5 h PRO 115 N 5.65 0.00 -0.52 2.72 0.11 -1.97 -3.37 132.00 134.62 1qi5 h PRO 115 Ca 0.11 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1qi5 h PRO 115 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1qi5 h PRO 115 CO 0.73 0.00 -0.07 -0.97 -0.21 0.00 0.00 178.00 177.47 1qi5 h ASN 116 N 0.00 0.96 -5.32 -2.05 -1.24 -1.90 -3.44 115.58 102.59 1qi5 h ASN 116 Ca 0.00 -0.34 -0.15 0.00 0.71 0.00 0.00 56.30 56.52 1qi5 h ASN 116 Cb 0.81 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 39.53 1qi5 h ASN 116 CO 0.00 1.07 -0.08 -1.38 -1.29 0.00 0.00 177.43 175.75 1qi5 s HIS 117 N -4.89 0.63 0.17 0.67 -3.43 -1.26 -1.57 115.29 105.62 1qi5 s HIS 117 Ca -0.12 -0.99 -0.16 0.00 -0.80 0.00 0.00 55.06 52.99 1qi5 s HIS 117 Cb 0.12 0.18 0.03 0.00 -1.43 0.00 0.00 32.58 31.48 1qi5 s HIS 117 CO 0.85 -1.16 0.45 0.00 -2.00 0.00 0.00 174.74 172.88 1qi5 s MET 118 N -3.28 1.25 -1.23 -0.38 0.23 -1.01 -4.83 119.30 110.04 1qi5 s MET 118 Ca 0.25 -0.85 -0.19 0.00 -1.03 0.00 0.00 55.69 53.87 1qi5 s MET 118 Cb -0.01 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.83 1qi5 s MET 118 CO 0.14 -0.51 1.70 1.21 -2.03 0.00 0.00 175.02 175.53 1qi5 s ASN 119 N -2.86 6.62 0.23 -1.18 3.04 0.25 -4.75 114.94 116.29 1qi5 s ASN 119 Ca 0.08 -2.17 -0.07 0.00 0.04 0.00 0.00 52.86 50.75 1qi5 s ASN 119 Cb 0.00 -2.58 0.35 0.00 -1.54 0.00 0.00 41.25 37.49 1qi5 s ASN 119 CO -0.06 -1.39 1.76 -0.09 -3.04 0.00 0.00 177.10 174.29 1qi5 h ARG 120 N 8.23 0.52 -0.00 0.43 2.43 -1.90 -2.93 114.38 121.16 1qi5 h ARG 120 Ca 0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1qi5 h ARG 120 Cb 0.91 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1qi5 h ARG 120 CO 1.43 0.35 -0.04 0.41 -1.51 0.00 0.00 179.97 180.61 1qi5 n GLY 121 N -1.31 -1.37 3.68 2.80 0.00 -1.26 -4.87 105.19 102.85 1qi5 n GLY 121 Ca 0.11 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1qi5 n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qi5 s TYR 122 N -2.82 1.98 0.06 1.61 5.04 -1.11 -4.90 117.35 117.21 1qi5 s TYR 122 Ca 0.20 -0.01 -0.26 0.00 -2.44 0.00 0.00 57.07 54.56 1qi5 s TYR 122 Cb 0.19 -4.10 -0.17 0.00 0.35 0.00 0.00 41.96 38.23 1qi5 s TYR 122 CO 0.51 -4.64 1.56 -1.00 -1.34 0.00 0.00 175.55 170.65 1qi5 h PRO 123 N 9.14 -0.25 -4.17 4.97 0.13 -1.91 -3.39 132.00 136.52 1qi5 h PRO 123 Ca -0.45 0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 63.94 1qi5 h PRO 123 Cb 1.21 0.06 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 1qi5 h PRO 123 CO 0.94 -0.07 -0.00 0.34 -0.23 0.00 0.00 178.00 178.98 1qi5 s ASP 124 N -5.07 6.39 0.05 1.44 2.15 -1.26 -5.03 116.67 115.34 1qi5 s ASP 124 Ca -0.15 -2.02 -0.10 0.00 0.43 0.00 0.00 52.55 50.71 1qi5 s ASP 124 Cb 0.04 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 1qi5 s ASP 124 CO 0.63 -0.83 0.22 -1.59 -0.17 0.00 0.00 175.17 173.44 1qi5 s LYS 125 N 1.41 0.74 0.10 4.34 -2.85 -1.26 -5.01 119.74 117.20 1qi5 s LYS 125 Ca 0.11 -0.64 0.25 0.00 -1.00 0.00 0.00 55.97 54.69 1qi5 s LYS 125 Cb -0.21 0.31 0.45 0.00 -2.06 0.00 0.00 37.83 36.31 1qi5 s LYS 125 CO -0.01 -0.22 1.40 0.39 0.10 0.00 0.00 175.35 177.01 1qi5 n GLU 126 N 0.58 0.23 -3.94 1.78 1.02 -1.26 -4.74 120.64 114.30 1qi5 n GLU 126 Ca -0.18 0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1qi5 n GLU 126 Cb 0.59 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 1qi5 n GLU 126 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qi5 s ILE 127 N -3.13 2.86 -0.19 -3.67 1.01 -1.26 -5.06 121.20 111.77 1qi5 s ILE 127 Ca 0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1qi5 s ILE 127 Cb 0.14 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 40.04 1qi5 s ILE 127 CO 0.70 -0.06 -0.00 0.20 0.00 0.00 0.00 174.94 175.78 1qi5 s ASN 128 N 1.24 3.02 -0.26 3.58 -0.87 -1.26 -4.92 114.94 115.47 1qi5 s ASN 128 Ca -0.05 -0.82 -0.04 0.00 -1.57 0.00 0.00 52.86 50.37 1qi5 s ASN 128 Cb -0.19 -0.78 0.01 0.00 -0.02 0.00 0.00 41.25 40.26 1qi5 s ASN 128 CO -0.02 -0.26 0.00 -0.76 -2.57 0.00 0.00 177.10 173.50 1qi5 s LEU 129 N 1.71 3.36 0.85 0.60 1.43 -1.26 -5.11 118.68 120.26 1qi5 s LEU 129 Ca -0.01 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 1qi5 s LEU 129 Cb -0.17 -1.78 0.10 0.00 0.03 0.00 0.00 46.19 44.37 1qi5 s LEU 129 CO -0.07 -0.11 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 1qi5 s PRO 130 N 1.45 1.64 0.43 1.29 0.04 -1.26 -5.02 135.00 133.57 1qi5 s PRO 130 Ca 0.03 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 1qi5 s PRO 130 Cb -0.16 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1qi5 s PRO 130 CO -0.01 -1.91 0.79 0.00 0.04 0.00 0.00 177.00 175.91 1qi5 s ALA 131 N -3.16 3.34 0.00 8.56 0.00 -1.26 -4.22 121.76 125.02 1qi5 s ALA 131 Ca 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1qi5 s ALA 131 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1qi5 s ALA 131 CO 0.54 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1qi5 n GLY 132 N -1.56 0.56 0.17 0.00 0.00 -1.26 -4.89 105.19 98.20 1qi5 n GLY 132 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1qi5 n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qi5 n GLN 133 N -2.88 2.27 -1.00 1.61 1.13 -1.26 -4.98 117.38 112.26 1qi5 n GLN 133 Ca 0.00 -0.52 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 1qi5 n GLN 133 Cb 0.00 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1qi5 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qi5 n GLY 134 N 0.79 0.59 0.19 1.08 0.00 -1.26 -4.98 105.19 101.60 1qi5 n GLY 134 Ca 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.33 1qi5 n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qi5 h PHE 135 N 0.00 0.00 -2.74 1.61 0.04 -1.92 -3.43 116.94 110.50 1qi5 h PHE 135 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1qi5 h PHE 135 Cb 0.23 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.25 1qi5 h PHE 135 CO 0.00 0.23 -0.72 -1.58 -0.60 0.00 0.00 178.31 175.64 1qi5 s TRP 136 N -3.14 2.59 0.13 -0.55 0.52 -1.26 -1.10 118.94 116.14 1qi5 s TRP 136 Ca 0.05 -0.24 -0.17 0.00 0.02 0.00 0.00 56.10 55.76 1qi5 s TRP 136 Cb 0.06 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1qi5 s TRP 136 CO 0.70 0.56 1.76 -0.09 0.02 0.00 0.00 176.95 179.89 1qi5 h ARG 137 N 2.62 0.46 0.00 4.98 2.43 -1.20 -2.29 114.38 121.37 1qi5 h ARG 137 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1qi5 h ARG 137 Cb 1.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1qi5 h ARG 137 CO 0.56 0.36 0.00 0.27 -1.51 0.00 0.00 179.97 179.65 1qi5 n ASN 138 N -4.81 0.00 0.26 -3.80 0.23 -1.26 -1.35 115.26 104.53 1qi5 n ASN 138 Ca -0.01 -0.78 0.16 0.00 -0.53 0.00 0.00 54.58 53.42 1qi5 n ASN 138 Cb 0.06 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.30 1qi5 n ASN 138 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qi5 h ASP 139 N 0.00 0.00 -0.72 0.53 3.32 -1.79 -3.44 116.42 114.32 1qi5 h ASP 139 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1qi5 h ASP 139 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1qi5 h ASP 139 CO 0.00 0.01 -0.34 0.00 -1.72 0.00 0.00 179.24 177.19 1qi5 s ALA 141 N -2.74 3.49 -0.84 0.00 0.00 -1.26 -4.98 121.76 115.42 1qi5 s ALA 141 Ca 0.34 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1qi5 s ALA 141 Cb -0.01 -3.49 0.21 0.00 0.00 0.00 0.00 23.12 19.82 1qi5 s ALA 141 CO 0.20 -0.75 0.71 0.34 0.00 0.00 0.00 175.76 176.26 1qi5 s ASP 142 N 1.32 5.77 0.01 0.00 2.15 -1.26 -4.62 116.67 120.03 1qi5 s ASP 142 Ca 0.51 -3.65 -0.02 0.00 0.43 0.00 0.00 52.55 49.83 1qi5 s ASP 142 Cb -0.21 -1.87 -0.01 0.00 -0.30 0.00 0.00 42.92 40.54 1qi5 s ASP 142 CO 0.18 -0.19 1.03 1.55 -0.17 0.00 0.00 175.17 177.57 1qi5 h PRO 143 N 6.04 -0.03 0.00 4.34 0.13 -1.93 -3.48 132.00 137.07 1qi5 h PRO 143 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1qi5 h PRO 143 Cb 0.82 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1qi5 h PRO 143 CO 0.82 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 1qi5 n GLY 144 N -1.02 3.53 3.57 1.56 0.00 -1.26 -5.06 105.19 106.50 1qi5 n GLY 144 Ca -0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1qi5 n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qi5 s ASN 145 N 1.79 6.16 -0.09 1.61 3.04 -1.26 -4.77 114.94 121.41 1qi5 s ASN 145 Ca 0.00 -1.70 -0.30 0.00 0.04 0.00 0.00 52.86 50.90 1qi5 s ASN 145 Cb 0.00 -2.57 0.11 0.00 -1.54 0.00 0.00 41.25 37.25 1qi5 s ASN 145 CO 0.00 -1.85 0.93 -0.47 -3.04 0.00 0.00 177.10 172.67 1qi5 s TYR 146 N 6.53 -0.38 0.29 0.43 6.14 -1.26 -4.91 117.35 124.18 1qi5 s TYR 146 Ca 0.56 0.51 -0.30 0.00 0.64 0.00 0.00 57.07 58.48 1qi5 s TYR 146 Cb 0.00 0.48 -0.13 0.00 0.42 0.00 0.00 41.96 42.74 1qi5 s TYR 146 CO 0.01 -0.44 1.41 -2.30 0.64 0.00 0.00 175.55 174.87 1qi5 n PRO 147 N 0.36 2.21 -1.37 4.97 -0.02 -1.22 -4.80 135.00 135.14 1qi5 n PRO 147 Ca -0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1qi5 n PRO 147 Cb 0.59 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1qi5 n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qi5 n ASN 148 N 1.66 1.96 0.03 2.55 6.94 0.04 -4.98 115.26 123.47 1qi5 n ASN 148 Ca 0.08 -0.68 0.13 0.00 -0.02 0.00 0.00 54.58 54.09 1qi5 n ASN 148 Cb 0.34 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.24 1qi5 n ASN 148 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1qi5 n ASP 149 N -0.71 0.33 -0.87 0.53 8.00 -1.26 -3.51 116.55 119.06 1qi5 n ASP 149 Ca 0.00 0.40 0.08 0.00 0.71 0.00 0.00 54.79 55.97 1qi5 n ASP 149 Cb 0.00 -0.43 0.21 0.00 -0.02 0.00 0.00 41.12 40.87 1qi5 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qi5 s ASP 151 N -1.00 -0.51 -0.22 0.00 2.15 -1.23 -3.69 116.67 112.16 1qi5 s ASP 151 Ca 0.32 0.48 0.02 0.00 0.43 0.00 0.00 52.55 53.80 1qi5 s ASP 151 Cb 0.16 1.49 0.34 0.00 -0.30 0.00 0.00 42.92 44.62 1qi5 s ASP 151 CO 0.21 -0.10 1.45 -0.90 -0.17 0.00 0.00 175.17 175.67 1qi5 n ASP 152 N 5.21 3.38 -1.73 -0.34 5.68 -1.26 -0.78 116.55 126.70 1qi5 n ASP 152 Ca -0.07 -2.80 -0.06 0.00 -0.50 0.00 0.00 54.79 51.36 1qi5 n ASP 152 Cb 0.53 -0.67 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 1qi5 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qi5 n GLY 153 N -0.31 3.10 3.62 6.12 0.00 -1.24 -4.07 105.19 112.40 1qi5 n GLY 153 Ca 0.30 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1qi5 n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qi5 s ASP 154 N -1.78 1.38 0.34 1.61 1.01 -0.17 -3.39 116.67 115.67 1qi5 s ASP 154 Ca 0.12 0.76 0.09 0.00 0.71 0.00 0.00 52.55 54.22 1qi5 s ASP 154 Cb 0.00 -1.11 -0.05 0.00 1.01 0.00 0.00 42.92 42.77 1qi5 s ASP 154 CO 0.08 -3.85 0.06 0.00 0.21 0.00 0.00 175.17 171.67 1qi5 s ARG 155 N -5.30 2.19 -0.44 8.23 1.70 -1.26 -4.36 118.95 119.70 1qi5 s ARG 155 Ca 0.70 -1.68 -0.15 0.00 -0.47 0.00 0.00 55.73 54.13 1qi5 s ARG 155 Cb -0.12 -2.02 0.05 0.00 -0.57 0.00 0.00 34.95 32.29 1qi5 s ARG 155 CO 0.56 0.12 0.35 0.12 -1.08 0.00 0.00 175.30 175.37 1qi5 s PHE 156 N -2.49 3.25 0.00 5.89 5.36 -1.26 -4.87 117.98 123.86 1qi5 s PHE 156 Ca 0.36 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1qi5 s PHE 156 Cb -0.01 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1qi5 s PHE 156 CO 0.21 -0.71 0.00 -0.89 -1.46 0.00 0.00 175.22 172.37 1qi5 n ILE 157 N 5.17 0.00 0.13 3.12 5.41 -1.26 -1.51 119.36 130.43 1qi5 n ILE 157 Ca -0.12 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.62 1qi5 n ILE 157 Cb 0.45 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.60 1qi5 n ILE 157 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1qi5 h GLY 158 N 0.00 0.09 0.00 7.39 0.00 -2.05 -3.48 103.07 105.03 1qi5 h GLY 158 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1qi5 h GLY 158 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1qi5 n GLY 159 N -0.03 0.70 0.04 4.60 0.00 -0.57 -4.95 105.19 104.98 1qi5 n GLY 159 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1qi5 n GLY 159 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qi5 n ASP 160 N 0.05 0.50 -0.50 1.61 5.75 -1.26 -3.40 116.55 119.31 1qi5 n ASP 160 Ca 0.00 0.24 0.07 0.00 -0.01 0.00 0.00 54.79 55.08 1qi5 n ASP 160 Cb 0.00 -0.21 0.05 0.00 -1.03 0.00 0.00 41.12 39.93 1qi5 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qi5 n ALA 161 N -1.66 2.55 -2.13 2.12 0.00 -1.26 -4.91 120.51 115.23 1qi5 n ALA 161 Ca 0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1qi5 n ALA 161 Cb 0.39 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1qi5 n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qi5 s ASP 162 N -1.18 6.79 0.21 0.00 1.11 -1.22 -2.41 116.67 119.98 1qi5 s ASP 162 Ca 0.15 2.37 -0.05 0.00 0.18 0.00 0.00 52.55 55.20 1qi5 s ASP 162 Cb 0.11 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.46 1qi5 s ASP 162 CO 0.19 -0.67 0.46 -0.76 1.18 0.00 0.00 175.17 175.57 1qi5 s LEU 163 N 1.02 4.18 -1.17 1.23 1.43 -0.61 -1.05 118.68 123.71 1qi5 s LEU 163 Ca 0.65 0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 1qi5 s LEU 163 Cb -0.38 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 42.58 1qi5 s LEU 163 CO 0.31 -0.06 1.43 0.21 0.23 0.00 0.00 176.35 178.47 1qi5 s ASN 164 N -2.76 6.96 0.21 2.29 2.47 -0.26 -4.60 114.94 119.25 1qi5 s ASN 164 Ca 0.42 -2.73 0.17 0.00 0.42 0.00 0.00 52.86 51.14 1qi5 s ASN 164 Cb -0.11 -2.43 0.83 0.00 -1.45 0.00 0.00 41.25 38.09 1qi5 s ASN 164 CO 0.26 -0.87 1.51 0.35 -3.72 0.00 0.00 177.10 174.63 1qi5 n THR 165 N 5.05 1.20 1.20 -5.21 -2.24 -1.26 -1.00 114.28 112.03 1qi5 n THR 165 Ca 0.36 0.54 0.13 0.00 -2.27 0.00 0.00 64.05 62.81 1qi5 n THR 165 Cb 0.44 -1.50 0.38 0.00 -2.10 0.00 0.00 70.33 67.55 1qi5 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qi5 n GLY 166 N -0.96 -0.83 3.71 3.38 0.00 -1.26 -3.16 105.19 106.06 1qi5 n GLY 166 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1qi5 n GLY 166 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qi5 s HIS 167 N -2.63 3.11 0.35 1.61 2.46 -0.17 -4.83 115.29 115.18 1qi5 s HIS 167 Ca 0.21 0.87 0.15 0.00 0.47 0.00 0.00 55.06 56.76 1qi5 s HIS 167 Cb 0.19 -3.71 1.14 0.00 -0.13 0.00 0.00 32.58 30.07 1qi5 s HIS 167 CO 0.56 -2.55 1.59 -1.35 -2.47 0.00 0.00 174.74 170.52 1qi5 h PRO 168 N 7.10 0.06 0.00 2.88 0.11 -1.88 0.63 132.00 140.89 1qi5 h PRO 168 Ca -0.41 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 1qi5 h PRO 168 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1qi5 h PRO 168 CO 0.88 0.04 -0.76 0.37 -0.21 0.00 0.00 178.00 178.31 1qi5 h GLN 169 N 0.06 0.00 0.24 1.05 4.15 -1.94 -2.43 115.11 116.23 1qi5 h GLN 169 Ca 0.76 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.84 1qi5 h GLN 169 Cb 1.87 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.59 1qi5 h GLN 169 CO -0.78 0.76 -1.54 0.28 -1.93 0.00 0.00 178.83 175.63 1qi5 h VAL 170 N 0.00 1.21 -0.53 2.39 2.07 -0.16 -2.52 116.25 118.71 1qi5 h VAL 170 Ca -0.01 -2.67 0.06 0.00 0.82 0.00 0.00 66.70 64.90 1qi5 h VAL 170 Cb 1.44 2.98 -0.06 0.00 -1.52 0.00 0.00 31.29 34.14 1qi5 h VAL 170 CO 0.10 0.82 0.23 0.22 0.02 0.00 0.00 177.57 178.96 1qi5 h TYR 171 N 0.14 0.40 -0.45 1.57 3.20 -0.68 -1.72 116.97 119.42 1qi5 h TYR 171 Ca -0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 1qi5 h TYR 171 Cb 2.15 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 40.30 1qi5 h TYR 171 CO 0.12 0.16 0.26 0.78 -1.64 0.00 0.00 178.16 177.84 1qi5 h GLY 172 N 0.43 0.67 1.00 1.82 0.00 -1.52 -0.95 103.07 104.52 1qi5 h GLY 172 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1qi5 h GLY 172 CO -0.22 0.28 0.39 1.98 0.00 0.00 0.00 176.54 178.97 1qi5 h MET 173 N 0.60 0.89 -0.20 4.80 1.85 -0.98 -1.42 114.93 120.47 1qi5 h MET 173 Ca 0.16 -0.08 -0.08 0.00 -0.61 0.00 0.00 59.70 59.09 1qi5 h MET 173 Cb 0.03 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 31.87 1qi5 h MET 173 CO -0.03 0.64 -0.19 0.74 -0.40 0.00 0.00 176.91 177.67 1qi5 h PHE 174 N 0.89 0.57 -0.57 1.39 0.04 -1.04 -2.63 116.94 115.59 1qi5 h PHE 174 Ca 0.24 -0.17 0.11 0.00 2.80 0.00 0.00 57.97 60.95 1qi5 h PHE 174 Cb -0.02 -0.12 -0.09 0.00 2.20 0.00 0.00 35.95 37.92 1qi5 h PHE 174 CO -0.02 0.84 0.04 -0.09 -0.60 0.00 0.00 178.31 178.49 1qi5 h ARG 175 N 0.15 0.16 -0.32 1.51 2.43 -1.00 0.07 114.38 117.38 1qi5 h ARG 175 Ca 0.03 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1qi5 h ARG 175 Cb 0.74 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1qi5 h ARG 175 CO 0.05 0.11 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.84 1qi5 h ASP 176 N 0.16 0.73 -0.07 -3.80 3.32 -1.25 -2.38 116.42 113.13 1qi5 h ASP 176 Ca 0.30 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1qi5 h ASP 176 Cb 0.46 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1qi5 h ASP 176 CO -0.45 1.00 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.62 1qi5 h GLU 177 N 0.59 0.57 -0.82 3.56 4.57 -0.81 -1.37 114.58 120.88 1qi5 h GLU 177 Ca 0.06 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1qi5 h GLU 177 Cb 0.85 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.39 1qi5 h GLU 177 CO 0.07 0.85 0.46 0.74 -1.18 0.00 0.00 179.01 179.95 1qi5 h PHE 178 N 0.48 1.12 -0.40 0.92 0.04 -0.82 -0.28 116.94 117.99 1qi5 h PHE 178 Ca 0.05 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.64 1qi5 h PHE 178 Cb 0.85 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1qi5 h PHE 178 CO 0.03 0.77 -0.37 1.15 -0.60 0.00 0.00 178.31 179.30 1qi5 h THR 179 N 1.14 1.27 -0.24 -1.55 2.02 -1.33 -2.06 112.91 112.16 1qi5 h THR 179 Ca 0.29 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1qi5 h THR 179 Cb 0.02 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1qi5 h THR 179 CO -0.05 0.52 0.15 -1.13 0.37 0.00 0.00 175.52 175.38 1qi5 h ASN 180 N 0.78 0.26 -0.86 4.18 -0.00 -0.76 0.11 115.58 119.29 1qi5 h ASN 180 Ca 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1qi5 h ASN 180 Cb 0.96 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 39.18 1qi5 h ASN 180 CO 0.09 0.19 0.52 0.25 -0.00 0.00 0.00 177.43 178.49 1qi5 h LEU 181 N 0.31 1.03 -0.19 0.34 5.85 -0.92 0.23 115.31 121.96 1qi5 h LEU 181 Ca 0.09 -0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.54 1qi5 h LEU 181 Cb -0.03 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.75 1qi5 h LEU 181 CO -0.03 0.79 -0.72 0.03 -0.34 0.00 0.00 178.44 178.18 1qi5 h ARG 182 N 1.19 0.83 0.00 1.25 2.47 -1.15 -1.13 114.38 117.83 1qi5 h ARG 182 Ca 0.31 -0.63 -0.18 0.00 -1.26 0.00 0.00 59.98 58.22 1qi5 h ARG 182 Cb -0.06 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 1qi5 h ARG 182 CO -0.06 1.24 -1.20 0.66 0.56 0.00 0.00 179.97 181.17 1qi5 h SER 183 N 0.58 0.00 0.00 7.04 4.64 -0.14 -3.35 113.55 122.31 1qi5 h SER 183 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1qi5 h SER 183 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1qi5 h SER 183 CO 0.15 0.69 -0.35 0.00 -0.87 0.00 0.00 176.83 176.45 1qi5 n GLN 184 N -3.05 4.63 -0.12 4.77 6.02 0.75 -4.77 117.38 125.61 1qi5 n GLN 184 Ca -0.07 -0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1qi5 n GLN 184 Cb 0.87 -0.68 0.10 0.00 1.02 0.00 0.00 30.24 31.54 1qi5 n GLN 184 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qi5 n TYR 185 N -1.18 0.00 -3.95 1.08 4.01 -0.91 -4.95 117.16 111.27 1qi5 n TYR 185 Ca 0.00 -0.77 -0.31 0.00 -0.16 0.00 0.00 57.90 56.66 1qi5 n TYR 185 Cb 0.01 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1qi5 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qi5 n GLY 186 N -1.07 -0.49 3.75 2.72 0.00 -1.03 -4.85 105.19 104.21 1qi5 n GLY 186 Ca 0.11 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1qi5 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qi5 s ALA 187 N -3.28 3.65 -1.31 4.61 0.00 -0.48 -4.30 121.76 120.66 1qi5 s ALA 187 Ca 0.68 1.37 0.14 0.00 0.00 0.00 0.00 51.96 54.14 1qi5 s ALA 187 Cb -0.34 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.21 1qi5 s ALA 187 CO 0.83 -0.78 0.79 0.41 0.00 0.00 0.00 175.76 177.01 1qi5 n GLY 188 N 2.20 -0.08 0.00 0.00 0.00 0.17 -4.65 105.19 102.83 1qi5 n GLY 188 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1qi5 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi5 n GLY 189 N 1.03 -2.25 3.01 -0.02 0.00 -1.18 -2.32 105.19 103.47 1qi5 n GLY 189 Ca 0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1qi5 n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qi5 s PHE 190 N -2.38 0.45 -0.31 1.61 0.08 -0.87 -1.36 117.98 115.20 1qi5 s PHE 190 Ca 0.00 -0.50 -0.06 0.00 0.12 0.00 0.00 56.93 56.50 1qi5 s PHE 190 Cb 0.00 -0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.19 1qi5 s PHE 190 CO 0.00 -0.13 0.07 0.50 -0.10 0.00 0.00 175.22 175.55 1qi5 s ARG 191 N -1.46 2.84 -0.20 0.44 3.00 0.33 -1.94 118.95 121.96 1qi5 s ARG 191 Ca -0.13 -1.02 -0.20 0.00 -1.00 0.00 0.00 55.73 53.38 1qi5 s ARG 191 Cb -0.10 -3.35 -0.03 0.00 0.00 0.00 0.00 34.95 31.48 1qi5 s ARG 191 CO -0.00 -0.53 0.61 -0.06 0.00 0.00 0.00 175.30 175.32 1qi5 s PHE 192 N 1.43 3.38 0.24 5.12 0.40 0.07 -0.66 117.98 127.95 1qi5 s PHE 192 Ca 0.00 0.91 -0.19 0.00 -0.60 0.00 0.00 56.93 57.05 1qi5 s PHE 192 Cb -0.18 -2.78 -0.08 0.00 0.51 0.00 0.00 43.02 40.49 1qi5 s PHE 192 CO 0.02 -0.16 0.73 0.34 0.70 0.00 0.00 175.22 176.84 1qi5 s ASP 193 N 1.19 7.02 -1.27 1.36 2.15 0.00 -1.80 116.67 125.32 1qi5 s ASP 193 Ca 0.28 1.40 -0.26 0.00 0.43 0.00 0.00 52.55 54.40 1qi5 s ASP 193 Cb -0.16 -2.41 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1qi5 s ASP 193 CO 0.10 -0.00 0.58 0.33 -0.17 0.00 0.00 175.17 176.01 1qi5 n PHE 194 N 0.57 -1.44 0.21 -5.34 7.35 -1.25 -4.66 117.46 112.90 1qi5 n PHE 194 Ca -0.01 0.23 0.14 0.00 -0.76 0.00 0.00 57.45 57.04 1qi5 n PHE 194 Cb 0.51 -2.91 0.72 0.00 0.35 0.00 0.00 39.48 38.15 1qi5 n PHE 194 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1qi5 h VAL 195 N -2.39 0.00 0.00 -2.13 -1.51 -1.69 -0.28 116.25 108.25 1qi5 h VAL 195 Ca -0.70 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 64.75 1qi5 h VAL 195 Cb 1.40 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1qi5 h VAL 195 CO 0.55 0.00 -0.05 0.08 -1.23 0.00 0.00 177.57 176.91 1qi5 h ARG 196 N 0.00 0.00 -0.00 5.19 0.11 -1.88 -3.18 114.38 114.62 1qi5 h ARG 196 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qi5 h ARG 196 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1qi5 h ARG 196 CO 0.00 0.05 -0.01 0.41 0.10 0.00 0.00 179.97 180.52 1qi5 n GLY 197 N -0.13 -1.00 3.79 0.08 0.00 -0.12 -1.00 105.19 106.81 1qi5 n GLY 197 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1qi5 n GLY 197 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qi5 s TYR 198 N -2.19 -0.23 0.27 1.61 -0.85 -1.20 -3.66 117.35 111.10 1qi5 s TYR 198 Ca 0.41 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.48 1qi5 s TYR 198 Cb 0.21 0.68 -0.10 0.00 0.38 0.00 0.00 41.96 43.14 1qi5 s TYR 198 CO 0.40 -1.14 1.36 0.00 -1.52 0.00 0.00 175.55 174.65 1qi5 s ALA 199 N -3.82 3.55 0.33 9.51 0.00 -1.26 -4.74 121.76 125.33 1qi5 s ALA 199 Ca 0.10 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1qi5 s ALA 199 Cb -0.05 -3.51 0.55 0.00 0.00 0.00 0.00 23.12 20.12 1qi5 s ALA 199 CO 0.04 -0.65 1.99 -1.35 0.00 0.00 0.00 175.76 175.78 1qi5 h PRO 200 N 4.39 0.94 -0.06 0.00 0.11 -1.92 -1.43 132.00 134.04 1qi5 h PRO 200 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1qi5 h PRO 200 Cb 1.22 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1qi5 h PRO 200 CO 0.72 0.62 0.02 0.93 -0.21 0.00 0.00 178.00 180.09 1qi5 h GLU 201 N 0.97 0.08 -0.01 1.05 3.07 -1.92 -0.77 114.58 117.05 1qi5 h GLU 201 Ca 0.27 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.05 1qi5 h GLU 201 Cb -0.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1qi5 h GLU 201 CO -0.06 0.07 -0.37 -0.09 -1.40 0.00 0.00 179.01 177.15 1qi5 h ARG 202 N 0.08 0.01 -0.22 2.33 2.43 -1.60 -1.94 114.38 115.47 1qi5 h ARG 202 Ca 0.02 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1qi5 h ARG 202 Cb 0.02 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1qi5 h ARG 202 CO -0.00 0.38 -0.28 0.28 -1.51 0.00 0.00 179.97 178.84 1qi5 h VAL 203 N 0.01 1.32 -0.89 0.20 2.07 -1.18 0.22 116.25 118.00 1qi5 h VAL 203 Ca -0.00 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1qi5 h VAL 203 Cb 0.67 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1qi5 h VAL 203 CO 0.05 0.46 0.53 -1.13 0.02 0.00 0.00 177.57 177.50 1qi5 h ASN 204 N 0.27 1.07 0.01 0.57 -0.00 -1.23 -1.36 115.58 114.91 1qi5 h ASN 204 Ca 0.03 -0.07 0.01 0.00 -0.00 0.00 0.00 56.30 56.26 1qi5 h ASN 204 Cb 0.85 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 1qi5 h ASN 204 CO 0.07 0.83 -0.04 0.28 -0.00 0.00 0.00 177.43 178.57 1qi5 h SER 205 N 1.22 -0.11 -0.73 1.15 0.02 -1.06 0.18 113.55 114.22 1qi5 h SER 205 Ca 0.32 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1qi5 h SER 205 Cb -0.04 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1qi5 h SER 205 CO -0.06 -0.06 0.28 -0.50 -1.14 0.00 0.00 176.83 175.35 1qi5 h TRP 206 N -0.07 1.13 -0.03 3.45 6.55 -0.80 -1.93 115.95 124.25 1qi5 h TRP 206 Ca 0.01 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.76 1qi5 h TRP 206 Cb 0.09 -0.34 -0.00 0.00 -0.86 0.00 0.00 29.16 28.05 1qi5 h TRP 206 CO -0.11 0.87 -0.02 0.52 -1.05 0.00 0.00 178.44 178.65 1qi5 h MET 207 N 1.08 0.07 -0.65 0.49 2.86 -1.04 -1.22 114.93 116.52 1qi5 h MET 207 Ca 0.25 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.96 1qi5 h MET 207 Cb 0.22 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.80 1qi5 h MET 207 CO -0.02 0.50 0.23 1.15 1.06 0.00 0.00 176.91 179.84 1qi5 h THR 208 N -0.37 0.72 -0.17 2.22 2.02 -0.53 0.22 112.91 117.03 1qi5 h THR 208 Ca 0.01 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1qi5 h THR 208 Cb 0.49 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1qi5 h THR 208 CO 0.01 0.07 -0.25 0.44 0.37 0.00 0.00 175.52 176.16 1qi5 h ASP 209 N 0.40 0.51 0.00 4.18 3.32 -1.34 -3.38 116.42 120.11 1qi5 h ASP 209 Ca 0.34 -0.52 -0.31 0.00 0.02 0.00 0.00 57.03 56.56 1qi5 h ASP 209 Cb 0.45 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1qi5 h ASP 209 CO -0.34 0.93 -2.17 -1.20 -1.72 0.00 0.00 179.24 174.73 1qi5 n SER 210 N -4.42 1.33 -2.74 6.45 7.64 -0.46 -4.88 113.62 116.53 1qi5 n SER 210 Ca -0.06 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 1qi5 n SER 210 Cb 0.44 0.52 0.09 0.00 -1.01 0.00 0.00 64.21 64.24 1qi5 n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qi5 n ALA 211 N -2.78 -0.55 -0.29 -0.43 0.00 0.28 -4.75 120.51 111.99 1qi5 n ALA 211 Ca -0.31 -1.52 0.16 0.00 0.00 0.00 0.00 53.44 51.77 1qi5 n ALA 211 Cb 1.00 -1.14 0.41 0.00 0.00 0.00 0.00 19.45 19.73 1qi5 n ALA 211 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qi5 h ASP 212 N 2.93 0.60 -0.34 0.00 3.58 -0.87 -0.74 116.42 121.58 1qi5 h ASP 212 Ca -0.11 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1qi5 h ASP 212 Cb 1.11 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1qi5 h ASP 212 CO 0.13 0.24 0.00 0.59 -2.88 0.00 0.00 179.24 177.32 1qi5 n ASN 213 N -4.61 3.01 -4.09 2.28 3.02 -1.26 -4.86 115.26 108.75 1qi5 n ASN 213 Ca 0.21 -1.93 -0.30 0.00 -0.03 0.00 0.00 54.58 52.53 1qi5 n ASN 213 Cb 0.62 -0.22 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 1qi5 n ASN 213 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qi5 s SER 214 N -1.49 2.90 0.07 6.41 0.01 -0.29 -4.88 113.70 116.44 1qi5 s SER 214 Ca 0.37 0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.82 1qi5 s SER 214 Cb 0.21 -0.34 -0.06 0.00 0.21 0.00 0.00 66.02 66.05 1qi5 s SER 214 CO 0.30 -2.87 0.39 0.12 0.41 0.00 0.00 173.24 171.60 1qi5 s PHE 215 N -3.82 3.59 0.04 2.43 5.36 -0.98 -4.68 117.98 119.91 1qi5 s PHE 215 Ca 0.74 0.78 -0.09 0.00 -0.96 0.00 0.00 56.93 57.40 1qi5 s PHE 215 Cb -0.04 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1qi5 s PHE 215 CO 0.53 0.53 0.19 0.00 -1.46 0.00 0.00 175.22 175.01 1qi5 s VAL 217 N -2.55 0.01 0.06 0.00 0.11 -0.82 -3.42 120.40 113.80 1qi5 s VAL 217 Ca -0.05 -0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.00 1qi5 s VAL 217 Cb -0.01 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1qi5 s VAL 217 CO -0.04 -0.05 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.62 1qi5 s GLY 218 N -0.10 1.50 -0.46 6.54 0.00 -0.73 -0.75 107.32 113.32 1qi5 s GLY 218 Ca -0.03 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 1qi5 s GLY 218 CO 0.01 -1.20 0.35 1.85 0.00 0.00 0.00 173.10 174.11 1qi5 s GLU 219 N -1.51 2.79 -0.39 2.90 2.12 -0.75 -1.90 118.70 121.98 1qi5 s GLU 219 Ca 0.13 -1.47 -0.04 0.00 0.36 0.00 0.00 54.97 53.95 1qi5 s GLU 219 Cb -0.10 -4.00 0.09 0.00 0.26 0.00 0.00 34.13 30.38 1qi5 s GLU 219 CO 0.04 -1.05 0.17 -1.17 -0.54 0.00 0.00 175.26 172.71 1qi5 s LEU 220 N 1.53 4.93 -0.60 2.70 2.96 -1.26 -2.33 118.68 126.61 1qi5 s LEU 220 Ca 0.04 -1.76 -0.01 0.00 -0.22 0.00 0.00 54.13 52.17 1qi5 s LEU 220 Cb -0.25 -1.83 0.15 0.00 0.50 0.00 0.00 46.19 44.76 1qi5 s LEU 220 CO 0.04 -0.48 0.40 0.86 -1.32 0.00 0.00 176.35 175.84 1qi5 s TRP 221 N 1.22 3.36 -0.30 5.38 -0.11 -1.26 -4.81 118.94 122.43 1qi5 s TRP 221 Ca 0.04 -2.83 -0.06 0.00 1.22 0.00 0.00 56.10 54.48 1qi5 s TRP 221 Cb -0.22 -3.11 0.16 0.00 -1.50 0.00 0.00 33.47 28.80 1qi5 s TRP 221 CO -0.02 -0.82 0.64 0.21 -4.62 0.00 0.00 176.95 172.34 1qi5 s LYS 222 N -0.11 0.56 0.62 5.86 2.20 -1.26 -5.02 119.74 122.60 1qi5 s LYS 222 Ca 0.17 1.20 -0.09 0.00 -0.36 0.00 0.00 55.97 56.90 1qi5 s LYS 222 Cb -0.21 0.70 -0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1qi5 s LYS 222 CO -0.03 -0.40 0.98 0.20 -0.36 0.00 0.00 175.35 175.74 1qi5 s GLY 223 N 2.87 1.61 0.25 5.54 0.00 -1.26 -4.96 107.32 111.36 1qi5 s GLY 223 Ca 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1qi5 s GLY 223 CO -0.20 -0.15 1.65 -2.55 0.00 0.00 0.00 173.10 171.85 1qi5 h PRO 224 N -0.32 0.15 0.00 2.90 0.11 -1.86 -0.46 132.00 132.53 1qi5 h PRO 224 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qi5 h PRO 224 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qi5 h PRO 224 CO 0.62 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1qi5 n SER 225 N -5.27 0.00 0.01 -2.05 3.41 -1.26 -1.89 113.62 106.56 1qi5 n SER 225 Ca 0.14 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1qi5 n SER 225 Cb 0.48 -0.24 0.18 0.00 -0.26 0.00 0.00 64.21 64.36 1qi5 n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qi5 n GLU 226 N -1.24 0.07 -3.17 4.33 1.02 -0.18 -4.88 120.64 116.59 1qi5 n GLU 226 Ca 0.04 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 1qi5 n GLU 226 Cb 0.05 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1qi5 n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qi5 s TYR 227 N -3.05 3.52 0.59 -0.32 1.51 -0.79 -5.05 117.35 113.76 1qi5 s TYR 227 Ca 0.09 0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 56.46 1qi5 s TYR 227 Cb 0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1qi5 s TYR 227 CO 0.73 0.01 1.22 -2.14 -1.11 0.00 0.00 175.55 174.27 1qi5 s PRO 228 N -4.38 2.99 0.52 -1.71 0.02 -1.26 -4.76 135.00 126.42 1qi5 s PRO 228 Ca 0.42 1.87 0.20 0.00 0.02 0.00 0.00 61.00 63.52 1qi5 s PRO 228 Cb -0.10 -1.97 1.31 0.00 0.02 0.00 0.00 34.50 33.77 1qi5 s PRO 228 CO 0.38 -1.20 2.06 -0.91 -0.33 0.00 0.00 177.00 177.00 1qi5 h ASN 229 N 0.96 0.03 0.83 2.53 4.21 -1.96 -0.01 115.58 122.18 1qi5 h ASN 229 Ca -0.50 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.01 1qi5 h ASN 229 Cb 1.30 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1qi5 h ASN 229 CO 0.55 0.02 -0.33 -2.67 -1.29 0.00 0.00 177.43 173.72 1qi5 n TRP 230 N -4.45 0.22 -2.70 1.19 4.27 -1.26 -4.88 117.44 109.83 1qi5 n TRP 230 Ca 0.04 0.06 -0.39 0.00 -3.89 0.00 0.00 57.50 53.33 1qi5 n TRP 230 Cb 0.37 -0.49 -0.06 0.00 -1.36 0.00 0.00 31.31 29.78 1qi5 n TRP 230 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qi5 s ASP 231 N -3.43 7.47 0.43 -0.67 -1.08 -0.02 -4.92 116.67 114.45 1qi5 s ASP 231 Ca 0.11 1.99 0.30 0.00 -0.52 0.00 0.00 52.55 54.42 1qi5 s ASP 231 Cb 0.16 -2.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.48 1qi5 s ASP 231 CO 0.64 0.03 1.90 4.11 0.52 0.00 0.00 175.17 182.37 1qi5 h TRP 232 N 3.80 0.00 0.00 -5.34 5.08 -1.90 -2.54 115.95 115.05 1qi5 h TRP 232 Ca -0.46 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.45 1qi5 h TRP 232 Cb 1.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1qi5 h TRP 232 CO 0.61 0.00 -0.48 0.00 -1.28 0.00 0.00 178.44 177.28 1qi5 h ARG 233 N 0.00 0.00 0.00 0.12 3.08 -1.91 -2.99 114.38 112.68 1qi5 h ARG 233 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qi5 h ARG 233 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1qi5 h ARG 233 CO 0.00 0.22 -0.00 -0.97 -1.07 0.00 0.00 179.97 178.15 1qi5 h ASN 234 N 0.00 0.00 -0.12 7.04 -0.73 -1.56 -2.35 115.58 117.86 1qi5 h ASN 234 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1qi5 h ASN 234 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1qi5 h ASN 234 CO 0.03 0.00 0.00 0.35 -0.37 0.00 0.00 177.43 177.44 1qi5 n THR 235 N -3.92 0.78 -2.29 -3.57 -2.24 -1.20 -4.34 114.28 97.50 1qi5 n THR 235 Ca -0.03 -0.89 -0.25 0.00 -2.27 0.00 0.00 64.05 60.61 1qi5 n THR 235 Cb 0.08 0.63 0.07 0.00 -2.10 0.00 0.00 70.33 69.02 1qi5 n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qi5 s ALA 236 N -0.87 3.29 0.59 6.98 0.00 -0.88 -5.09 121.76 125.78 1qi5 s ALA 236 Ca 0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1qi5 s ALA 236 Cb 0.05 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1qi5 s ALA 236 CO 0.07 -1.27 0.93 -1.54 0.00 0.00 0.00 175.76 173.94 1qi5 s SER 237 N -4.54 5.78 0.43 0.00 1.04 -1.26 -4.75 113.70 110.40 1qi5 s SER 237 Ca 0.61 0.91 0.09 0.00 0.48 0.00 0.00 55.95 58.04 1qi5 s SER 237 Cb -0.10 -1.94 0.94 0.00 0.10 0.00 0.00 66.02 65.01 1qi5 s SER 237 CO 0.44 -0.99 2.05 -0.50 0.98 0.00 0.00 173.24 175.22 1qi5 h TRP 238 N -0.19 0.36 -0.36 5.02 4.06 -1.96 -2.60 115.95 120.28 1qi5 h TRP 238 Ca -0.45 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.49 1qi5 h TRP 238 Cb 1.24 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 29.26 1qi5 h TRP 238 CO 0.52 0.26 0.20 1.96 -3.56 0.00 0.00 178.44 177.82 1qi5 h GLN 239 N 0.38 0.49 -0.30 0.49 4.20 -1.92 -2.64 115.11 115.80 1qi5 h GLN 239 Ca 0.10 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1qi5 h GLN 239 Cb 0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1qi5 h GLN 239 CO -0.02 0.40 -0.36 1.96 -0.67 0.00 0.00 178.83 180.15 1qi5 h GLN 240 N 0.45 0.68 0.48 1.46 4.20 -1.88 -1.94 115.11 118.56 1qi5 h GLN 240 Ca 0.13 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1qi5 h GLN 240 Cb 0.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1qi5 h GLN 240 CO -0.02 0.94 -0.23 0.82 -0.67 0.00 0.00 178.83 179.67 1qi5 h ILE 241 N 0.57 0.51 -0.51 2.54 2.04 -1.36 -1.75 117.51 119.54 1qi5 h ILE 241 Ca 0.06 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1qi5 h ILE 241 Cb 0.88 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1qi5 h ILE 241 CO 0.08 0.04 0.11 0.16 0.00 0.00 0.00 178.15 178.54 1qi5 h ILE 242 N -0.77 1.22 -0.64 -0.67 3.07 -1.51 -2.95 117.51 115.27 1qi5 h ILE 242 Ca -0.07 -0.80 -0.04 0.00 1.55 0.00 0.00 64.86 65.50 1qi5 h ILE 242 Cb 0.55 0.71 -0.03 0.00 -0.27 0.00 0.00 36.82 37.78 1qi5 h ILE 242 CO 0.11 0.30 0.24 0.50 -1.05 0.00 0.00 178.15 178.25 1qi5 h LYS 243 N 0.76 0.96 -0.32 0.16 1.63 -1.33 -2.25 116.57 116.18 1qi5 h LYS 243 Ca 0.17 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1qi5 h LYS 243 Cb 0.29 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1qi5 h LYS 243 CO -0.00 0.82 0.18 0.22 -3.45 0.00 0.00 179.45 177.22 1qi5 h ASP 244 N 0.90 0.40 -0.45 4.20 3.58 -1.17 -1.13 116.42 122.75 1qi5 h ASP 244 Ca 0.21 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.63 1qi5 h ASP 244 Cb 0.23 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1qi5 h ASP 244 CO -0.01 0.36 0.19 -0.25 -2.88 0.00 0.00 179.24 176.65 1qi5 h TRP 245 N 0.40 0.35 -0.32 0.28 7.01 -1.35 -2.68 115.95 119.64 1qi5 h TRP 245 Ca 0.11 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.08 1qi5 h TRP 245 Cb 0.05 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1qi5 h TRP 245 CO -0.03 0.15 -0.04 1.03 -2.79 0.00 0.00 178.44 176.76 1qi5 h SER 246 N 0.39 0.48 -0.12 2.65 0.87 -1.03 -0.65 113.55 116.13 1qi5 h SER 246 Ca 0.20 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1qi5 h SER 246 Cb 0.16 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1qi5 h SER 246 CO -0.17 0.58 -0.09 0.44 -0.53 0.00 0.00 176.83 177.05 1qi5 h ASP 247 N 0.48 0.42 0.12 6.23 3.32 -0.88 -1.55 116.42 124.57 1qi5 h ASP 247 Ca 0.10 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.77 1qi5 h ASP 247 Cb 0.38 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qi5 h ASP 247 CO 0.02 0.56 -1.46 0.03 -1.72 0.00 0.00 179.24 176.67 1qi5 h ARG 248 N 0.42 0.26 0.00 3.56 3.08 -1.28 -3.37 114.38 117.06 1qi5 h ARG 248 Ca 0.08 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1qi5 h ARG 248 Cb 0.42 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1qi5 h ARG 248 CO 0.02 1.21 0.00 0.00 -1.07 0.00 0.00 179.97 180.14 1qi5 h ALA 249 N -0.03 1.00 -4.87 0.04 0.00 -1.19 -3.38 119.26 110.84 1qi5 h ALA 249 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.21 1qi5 h ALA 249 Cb 1.80 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.68 1qi5 h ALA 249 CO 0.07 0.00 -0.62 1.63 0.00 0.00 0.00 179.25 180.33 1qi5 n LYS 250 N -2.96 -5.93 -4.33 0.00 4.76 -0.58 -3.06 118.16 106.05 1qi5 n LYS 250 Ca 0.04 0.86 -0.18 0.00 -2.87 0.00 0.00 58.31 56.16 1qi5 n LYS 250 Cb 0.49 -5.75 -0.14 0.00 -1.84 0.00 0.00 35.03 27.80 1qi5 n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qi5 n PRO 252 N 2.54 -0.23 -4.18 0.00 -0.02 -1.22 -4.53 135.00 127.36 1qi5 n PRO 252 Ca -0.15 -0.03 -0.16 0.00 -2.02 0.00 0.00 63.50 61.14 1qi5 n PRO 252 Cb 0.56 -1.73 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1qi5 n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qi5 s VAL 253 N -2.32 0.57 0.24 -1.45 0.11 -0.41 -1.78 120.40 115.36 1qi5 s VAL 253 Ca 0.55 -0.59 -0.31 0.00 -2.93 0.00 0.00 61.98 58.70 1qi5 s VAL 253 Cb -0.21 -0.53 -0.11 0.00 -1.53 0.00 0.00 36.38 33.99 1qi5 s VAL 253 CO 0.69 -0.03 1.62 -0.36 -3.33 0.00 0.00 175.10 173.69 1qi5 s PHE 254 N -0.59 2.89 -1.22 1.54 0.08 -0.80 -1.15 117.98 118.73 1qi5 s PHE 254 Ca -0.01 0.63 -0.20 0.00 0.12 0.00 0.00 56.93 57.46 1qi5 s PHE 254 Cb -0.05 -4.04 0.02 0.00 -0.57 0.00 0.00 43.02 38.37 1qi5 s PHE 254 CO 0.00 -3.72 1.78 0.34 -0.10 0.00 0.00 175.22 173.51 1qi5 s ASP 255 N 0.83 6.22 0.15 1.36 -1.08 0.07 -4.74 116.67 119.47 1qi5 s ASP 255 Ca 0.68 -2.05 0.26 0.00 -0.52 0.00 0.00 52.55 50.92 1qi5 s ASP 255 Cb -0.47 -2.58 0.83 0.00 -1.46 0.00 0.00 42.92 39.24 1qi5 s ASP 255 CO 0.39 -1.82 1.74 0.49 0.52 0.00 0.00 175.17 176.49 1qi5 n PHE 256 N 10.40 0.67 -0.03 -5.34 3.01 -1.26 -2.47 117.46 122.44 1qi5 n PHE 256 Ca 0.46 0.19 -0.13 0.00 1.01 0.00 0.00 57.45 58.98 1qi5 n PHE 256 Cb 0.47 -0.80 -0.09 0.00 -0.01 0.00 0.00 39.48 39.05 1qi5 n PHE 256 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qi5 h ALA 257 N 2.63 0.09 -0.46 4.37 0.00 -1.85 -0.85 119.26 123.20 1qi5 h ALA 257 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1qi5 h ALA 257 Cb 0.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1qi5 h ALA 257 CO 0.00 -0.07 0.05 1.25 0.00 0.00 0.00 179.25 180.48 1qi5 h LEU 258 N -0.30 0.75 -0.23 0.00 5.85 -1.81 -2.69 115.31 116.88 1qi5 h LEU 258 Ca 0.01 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1qi5 h LEU 258 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1qi5 h LEU 258 CO 0.02 0.83 0.11 0.50 -0.34 0.00 0.00 178.44 179.56 1qi5 h LYS 259 N 0.63 0.22 -0.41 1.25 1.63 -1.49 -0.62 116.57 117.79 1qi5 h LYS 259 Ca 0.14 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1qi5 h LYS 259 Cb 0.42 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1qi5 h LYS 259 CO 0.01 0.15 0.09 1.49 -3.45 0.00 0.00 179.45 177.74 1qi5 h GLU 260 N 0.23 0.61 -0.22 1.90 4.22 -1.09 -2.05 114.58 118.19 1qi5 h GLU 260 Ca 0.10 -0.11 -0.14 0.00 0.08 0.00 0.00 59.36 59.29 1qi5 h GLU 260 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qi5 h GLU 260 CO -0.08 0.57 -0.44 0.00 -2.18 0.00 0.00 179.01 176.89 1qi5 h ARG 261 N 0.60 0.55 -0.60 1.92 2.47 -1.12 0.34 114.38 118.53 1qi5 h ARG 261 Ca 0.14 -0.29 -0.06 0.00 -1.26 0.00 0.00 59.98 58.51 1qi5 h ARG 261 Cb 0.25 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1qi5 h ARG 261 CO -0.00 0.88 0.14 0.52 0.56 0.00 0.00 179.97 182.07 1qi5 h MET 262 N 0.44 0.94 0.18 0.04 2.86 -0.65 0.16 114.93 118.90 1qi5 h MET 262 Ca 0.03 -0.20 -0.34 0.00 -2.06 0.00 0.00 59.70 57.13 1qi5 h MET 262 Cb 0.95 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.48 1qi5 h MET 262 CO 0.08 0.84 -1.69 1.96 1.06 0.00 0.00 176.91 179.16 1qi5 h GLN 263 N 0.90 0.38 0.00 1.72 1.08 -1.30 -3.42 115.11 114.47 1qi5 h GLN 263 Ca 0.19 -0.66 -0.10 0.00 -1.45 0.00 0.00 58.65 56.63 1qi5 h GLN 263 Cb 0.32 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1qi5 h GLN 263 CO -0.00 1.29 -1.61 0.09 -0.95 0.00 0.00 178.83 177.65 1qi5 n ASN 264 N -3.58 2.47 -1.47 1.46 5.03 0.12 -5.05 115.26 114.24 1qi5 n ASN 264 Ca -0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1qi5 n ASN 264 Cb 1.07 1.10 0.00 0.00 -1.02 0.00 0.00 39.78 40.93 1qi5 n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qi5 n GLY 265 N 2.14 1.76 4.00 7.41 0.00 0.55 -5.02 105.19 116.02 1qi5 n GLY 265 Ca -0.10 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.67 1qi5 n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qi5 s SER 266 N -1.00 5.60 0.44 1.61 1.04 -1.26 -4.80 113.70 115.33 1qi5 s SER 266 Ca 0.00 -0.36 0.15 0.00 0.48 0.00 0.00 55.95 56.22 1qi5 s SER 266 Cb 0.00 -0.69 1.07 0.00 0.10 0.00 0.00 66.02 66.50 1qi5 s SER 266 CO 0.00 -0.82 1.98 -0.29 0.98 0.00 0.00 173.24 175.09 1qi5 h ILE 267 N 0.56 0.88 -0.01 -1.02 2.10 -1.93 0.12 117.51 118.20 1qi5 h ILE 267 Ca -0.40 -0.13 -0.05 0.00 1.08 0.00 0.00 64.86 65.36 1qi5 h ILE 267 Cb 1.28 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1qi5 h ILE 267 CO 0.46 0.07 -0.25 0.00 -1.08 0.00 0.00 178.15 177.35 1qi5 h ALA 268 N 1.70 1.58 0.00 0.18 0.00 -1.94 -1.35 119.26 119.43 1qi5 h ALA 268 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qi5 h ALA 268 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qi5 h ALA 268 CO -0.07 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 1qi5 n ASP 269 N -4.24 0.00 0.32 0.00 8.00 0.41 -3.43 116.55 117.61 1qi5 n ASP 269 Ca -0.02 -0.36 0.21 0.00 0.71 0.00 0.00 54.79 55.33 1qi5 n ASP 269 Cb 0.30 -0.16 1.04 0.00 -0.02 0.00 0.00 41.12 42.28 1qi5 n ASP 269 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1qi5 h TRP 270 N 0.00 0.00 0.00 1.24 4.06 -1.23 -1.68 115.95 118.34 1qi5 h TRP 270 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1qi5 h TRP 270 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1qi5 h TRP 270 CO 0.00 0.01 0.00 0.36 -3.56 0.00 0.00 178.44 175.25 1qi5 n LYS 271 N -3.15 0.11 -0.35 0.49 2.85 -1.22 -2.22 118.16 114.66 1qi5 n LYS 271 Ca -0.02 0.22 0.10 0.00 -1.05 0.00 0.00 58.31 57.56 1qi5 n LYS 271 Cb 0.14 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.30 1qi5 n LYS 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qi5 n HIS 272 N -1.33 0.91 -1.77 5.58 8.25 -0.63 -4.53 115.22 121.70 1qi5 n HIS 272 Ca 0.04 -0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 1qi5 n HIS 272 Cb 0.08 -0.03 0.17 0.00 1.12 0.00 0.00 29.99 31.33 1qi5 n HIS 272 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qi5 s GLY 273 N -0.97 1.69 0.34 -1.41 0.00 -0.94 -4.65 107.32 101.37 1qi5 s GLY 273 Ca 0.42 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1qi5 s GLY 273 CO 0.27 -0.28 1.95 -2.00 0.00 0.00 0.00 173.10 173.05 1qi5 h LEU 274 N -1.62 0.66 -0.10 0.66 5.85 -1.91 -2.90 115.31 115.94 1qi5 h LEU 274 Ca -0.45 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1qi5 h LEU 274 Cb 1.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1qi5 h LEU 274 CO 0.46 0.56 0.00 -0.46 -0.34 0.00 0.00 178.44 178.66 1qi5 n ASN 275 N -4.38 0.10 -0.93 1.25 6.94 -1.26 -2.23 115.26 114.75 1qi5 n ASN 275 Ca 0.05 0.52 0.12 0.00 -0.02 0.00 0.00 54.58 55.25 1qi5 n ASN 275 Cb 0.12 -0.54 0.10 0.00 -2.36 0.00 0.00 39.78 37.10 1qi5 n ASN 275 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qi5 n GLY 276 N -0.02 0.93 3.70 4.83 0.00 -1.10 -4.41 105.19 109.12 1qi5 n GLY 276 Ca 0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1qi5 n GLY 276 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qi5 n ASN 277 N 1.26 4.07 0.32 1.61 5.15 -0.95 -4.89 115.26 121.83 1qi5 n ASN 277 Ca 0.14 1.01 0.20 0.00 -0.60 0.00 0.00 54.58 55.33 1qi5 n ASN 277 Cb 0.59 -1.57 1.09 0.00 -0.53 0.00 0.00 39.78 39.36 1qi5 n ASN 277 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1qi5 h PRO 278 N 7.89 0.00 -5.51 1.20 0.13 -1.91 -3.39 132.00 130.42 1qi5 h PRO 278 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1qi5 h PRO 278 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1qi5 h PRO 278 CO 0.95 0.00 -0.12 0.34 -0.23 0.00 0.00 178.00 178.95 1qi5 s ASP 279 N -5.38 6.52 0.48 1.44 -1.08 -1.26 -4.96 116.67 112.43 1qi5 s ASP 279 Ca -0.05 0.62 0.25 0.00 -0.52 0.00 0.00 52.55 52.85 1qi5 s ASP 279 Cb 0.13 -2.27 1.22 0.00 -1.46 0.00 0.00 42.92 40.55 1qi5 s ASP 279 CO 0.44 -0.12 1.97 1.55 0.52 0.00 0.00 175.17 179.54 1qi5 h PRO 280 N 7.35 0.00 0.00 4.34 0.13 -1.91 -1.35 132.00 140.57 1qi5 h PRO 280 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1qi5 h PRO 280 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qi5 h PRO 280 CO 0.73 0.18 -0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1qi5 h ARG 281 N 0.00 0.00 0.00 0.86 2.47 -1.93 -2.05 114.38 113.73 1qi5 h ARG 281 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 1qi5 h ARG 281 Cb 0.49 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 1qi5 h ARG 281 CO 0.02 0.00 -1.02 -1.49 0.56 0.00 0.00 179.97 178.05 1qi5 h TRP 282 N 0.00 0.00 -0.18 3.04 4.06 -1.61 -3.41 115.95 117.85 1qi5 h TRP 282 Ca -0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 1qi5 h TRP 282 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1qi5 h TRP 282 CO 0.00 1.24 -0.46 0.07 -3.56 0.00 0.00 178.44 175.73 1qi5 h ARG 283 N -1.00 0.45 0.00 0.49 0.11 -1.36 -3.24 114.38 109.83 1qi5 h ARG 283 Ca -0.27 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 1qi5 h ARG 283 Cb 1.16 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 1qi5 h ARG 283 CO -0.16 0.82 -0.00 1.05 0.10 0.00 0.00 179.97 181.78 1qi5 h GLU 284 N 0.36 0.00 -0.02 0.08 4.11 -1.44 -1.88 114.58 115.79 1qi5 h GLU 284 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1qi5 h GLU 284 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1qi5 h GLU 284 CO 0.08 0.00 -0.07 1.33 0.07 0.00 0.00 179.01 180.43 1qi5 n VAL 285 N -3.14 0.00 -2.58 -1.06 0.24 -1.22 -4.75 118.33 105.82 1qi5 n VAL 285 Ca -0.02 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 1qi5 n VAL 285 Cb 0.11 0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 1qi5 n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qi5 s ALA 286 N -2.09 3.34 -0.37 2.33 0.00 -0.71 -1.28 121.76 122.98 1qi5 s ALA 286 Ca 0.31 0.77 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1qi5 s ALA 286 Cb 0.20 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1qi5 s ALA 286 CO 0.36 -0.04 0.11 0.08 0.00 0.00 0.00 175.76 176.27 1qi5 s VAL 287 N -1.25 1.97 0.32 0.00 1.01 -0.30 -1.28 120.40 120.87 1qi5 s VAL 287 Ca 0.45 -2.31 -0.21 0.00 0.00 0.00 0.00 61.98 59.91 1qi5 s VAL 287 Cb -0.28 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1qi5 s VAL 287 CO 0.36 -0.67 0.86 0.42 0.00 0.00 0.00 175.10 176.07 1qi5 s THR 288 N 0.83 4.42 0.21 3.92 -4.23 -0.30 -0.75 115.64 119.73 1qi5 s THR 288 Ca 0.12 1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 61.96 1qi5 s THR 288 Cb -0.20 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.84 1qi5 s THR 288 CO -0.10 -0.01 0.47 0.72 -0.54 0.00 0.00 174.62 175.17 1qi5 s PHE 289 N -1.79 0.14 -0.15 3.99 -0.71 -1.26 -0.80 117.98 117.40 1qi5 s PHE 289 Ca 0.52 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1qi5 s PHE 289 Cb -0.14 0.25 -0.09 0.00 -1.21 0.00 0.00 43.02 41.83 1qi5 s PHE 289 CO 0.19 -0.93 -0.14 1.33 -1.34 0.00 0.00 175.22 174.34 1qi5 n VAL 290 N -0.34 0.84 -3.67 -2.49 0.24 -1.26 -4.82 118.33 106.82 1qi5 n VAL 290 Ca -0.06 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 1qi5 n VAL 290 Cb 0.62 -1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 1qi5 n VAL 290 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1qi5 s ASP 291 N -5.53 -0.21 0.06 -1.34 1.01 -1.26 -4.61 116.67 104.78 1qi5 s ASP 291 Ca -0.20 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.68 1qi5 s ASP 291 Cb 0.05 0.48 -0.00 0.00 1.01 0.00 0.00 42.92 44.46 1qi5 s ASP 291 CO 0.33 -0.88 0.02 -0.46 0.21 0.00 0.00 175.17 174.39 1qi5 n ASN 292 N -0.24 0.91 0.29 0.27 2.04 -1.26 -4.63 115.26 112.65 1qi5 n ASN 292 Ca -0.15 -1.31 0.16 0.00 -0.44 0.00 0.00 54.58 52.84 1qi5 n ASN 292 Cb 0.63 0.15 0.91 0.00 -2.53 0.00 0.00 39.78 38.95 1qi5 n ASN 292 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1qi5 h HIS 293 N 1.10 0.00 0.00 -2.53 2.07 -1.88 0.13 115.15 114.04 1qi5 h HIS 293 Ca -0.05 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.13 1qi5 h HIS 293 Cb 0.18 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.10 1qi5 h HIS 293 CO 0.00 0.03 -2.03 0.09 -3.07 0.00 0.00 177.93 172.95 1qi5 n ASN 294 N -3.65 1.93 -0.05 3.10 5.03 -1.26 -4.32 115.26 116.03 1qi5 n ASN 294 Ca -0.03 0.37 -0.16 0.00 0.87 0.00 0.00 54.58 55.63 1qi5 n ASN 294 Cb 0.13 -0.84 -0.05 0.00 -1.02 0.00 0.00 39.78 37.99 1qi5 n ASN 294 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1qi5 h THR 295 N -1.00 1.27 -4.12 3.41 1.35 -1.87 -0.66 112.91 111.30 1qi5 h THR 295 Ca -0.53 -1.84 -0.14 0.00 -0.55 0.00 0.00 66.41 63.35 1qi5 h THR 295 Cb 1.44 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 69.66 1qi5 h THR 295 CO -0.32 0.59 0.02 0.61 -0.25 0.00 0.00 175.52 176.18 1qi5 n GLY 296 N 0.51 0.98 3.94 5.82 0.00 0.45 -1.35 105.19 115.55 1qi5 n GLY 296 Ca -0.06 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 1qi5 n GLY 296 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qi5 s TYR 297 N -0.63 2.64 -0.04 1.61 1.51 -1.26 -0.73 117.35 120.45 1qi5 s TYR 297 Ca 0.20 0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.50 1qi5 s TYR 297 Cb -0.01 -3.26 0.02 0.00 -0.11 0.00 0.00 41.96 38.59 1qi5 s TYR 297 CO 0.13 -1.56 0.23 -1.12 -1.11 0.00 0.00 175.55 172.12 1qi5 s SER 298 N -4.58 -0.14 0.87 2.29 0.01 -0.59 -4.87 113.70 106.70 1qi5 s SER 298 Ca 0.62 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.90 1qi5 s SER 298 Cb -0.09 0.34 0.12 0.00 0.21 0.00 0.00 66.02 66.60 1qi5 s SER 298 CO 0.45 -0.29 1.16 -2.84 0.41 0.00 0.00 173.24 172.13 1qi5 s PRO 299 N -0.83 1.28 1.23 12.44 0.02 -1.26 -3.41 135.00 144.47 1qi5 s PRO 299 Ca -0.09 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.50 1qi5 s PRO 299 Cb -0.05 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1qi5 s PRO 299 CO 0.02 -2.44 0.00 0.41 -0.33 0.00 0.00 177.00 174.66 1qi5 n GLY 300 N 0.15 -1.22 3.66 0.52 0.00 -1.26 -4.54 105.19 102.49 1qi5 n GLY 300 Ca 0.12 -1.58 -0.52 0.00 0.00 0.00 0.00 46.02 44.04 1qi5 n GLY 300 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qi5 n GLN 301 N 0.00 1.46 -1.08 1.61 7.27 -1.26 -2.44 117.38 122.94 1qi5 n GLN 301 Ca 0.00 0.53 -0.03 0.00 0.07 0.00 0.00 57.00 57.57 1qi5 n GLN 301 Cb 0.00 -2.24 -0.01 0.00 2.41 0.00 0.00 30.24 30.40 1qi5 n GLN 301 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qi5 n ASN 302 N 4.24 -5.75 -1.05 1.69 5.03 -1.26 -0.44 115.26 117.71 1qi5 n ASN 302 Ca 0.21 0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.60 1qi5 n ASN 302 Cb 0.20 -3.50 -0.06 0.00 -1.02 0.00 0.00 39.78 35.41 1qi5 n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qi5 n GLY 303 N 0.57 1.37 7.00 7.41 0.00 -1.02 -4.67 105.19 115.85 1qi5 n GLY 303 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1qi5 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi5 n GLY 304 N -1.32 0.75 0.13 -0.02 0.00 0.41 -1.55 105.19 103.60 1qi5 n GLY 304 Ca -0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1qi5 n GLY 304 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qi5 h GLN 305 N 0.00 0.17 -7.00 1.61 4.20 -1.75 -3.47 115.11 108.87 1qi5 h GLN 305 Ca 0.00 -0.29 -0.57 0.00 0.06 0.00 0.00 58.65 57.85 1qi5 h GLN 305 Cb 0.00 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 1qi5 h GLN 305 CO 0.00 1.14 -0.93 -2.39 -0.67 0.00 0.00 178.83 175.98 1qi5 n HIS 306 N -3.88 -1.24 0.13 2.96 1.44 0.09 -4.89 115.22 109.84 1qi5 n HIS 306 Ca -0.31 0.15 0.01 0.00 -2.01 0.00 0.00 57.72 55.56 1qi5 n HIS 306 Cb 0.90 -2.55 0.11 0.00 0.12 0.00 0.00 29.99 28.57 1qi5 n HIS 306 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1qi5 h HIS 307 N -2.10 0.00 0.00 -1.40 3.86 -0.78 -3.39 115.15 111.33 1qi5 h HIS 307 Ca -0.65 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.33 1qi5 h HIS 307 Cb 1.30 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.62 1qi5 h HIS 307 CO 0.37 0.60 -0.43 1.87 0.86 0.00 0.00 177.93 181.20 1qi5 n TRP 308 N -3.44 -2.89 -2.73 2.45 -0.00 -0.60 -4.99 117.44 105.24 1qi5 n TRP 308 Ca 0.00 -1.99 -0.41 0.00 -0.00 0.00 0.00 57.50 55.10 1qi5 n TRP 308 Cb 0.70 1.61 -0.05 0.00 -0.00 0.00 0.00 31.31 33.57 1qi5 n TRP 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1qi5 s ALA 309 N 0.35 3.25 0.08 5.87 0.00 -0.45 -4.59 121.76 126.27 1qi5 s ALA 309 Ca 0.24 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1qi5 s ALA 309 Cb 0.28 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1qi5 s ALA 309 CO -0.10 -0.01 0.99 -1.17 0.00 0.00 0.00 175.76 175.47 1qi5 s LEU 310 N -0.11 4.46 0.37 0.00 2.96 -1.26 -5.00 118.68 120.10 1qi5 s LEU 310 Ca 0.46 1.79 -0.28 0.00 -0.22 0.00 0.00 54.13 55.88 1qi5 s LEU 310 Cb -0.24 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.77 1qi5 s LEU 310 CO 0.30 -0.15 1.42 0.00 -1.32 0.00 0.00 176.35 176.61 1qi5 s GLN 311 N 0.29 4.14 0.55 1.98 -2.07 -1.26 -4.88 119.66 118.41 1qi5 s GLN 311 Ca 0.49 2.44 0.29 0.00 -1.82 0.00 0.00 55.36 56.76 1qi5 s GLN 311 Cb -0.23 -2.96 1.46 0.00 -1.09 0.00 0.00 33.01 30.18 1qi5 s GLN 311 CO 0.30 -0.45 1.92 0.38 -1.32 0.00 0.00 175.29 176.12 1qi5 h ASP 312 N 3.04 0.00 0.42 12.60 2.03 -2.02 -0.35 116.42 132.15 1qi5 h ASP 312 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1qi5 h ASP 312 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1qi5 h ASP 312 CO 0.64 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 1qi5 n GLY 313 N -1.62 -0.93 0.06 7.15 0.00 -1.26 -2.85 105.19 105.74 1qi5 n GLY 313 Ca 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1qi5 n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qi5 n LEU 314 N -1.40 1.35 0.06 0.99 4.77 -0.15 -4.79 117.00 117.84 1qi5 n LEU 314 Ca 0.06 -1.24 -0.12 0.00 -0.03 0.00 0.00 56.01 54.68 1qi5 n LEU 314 Cb 0.16 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1qi5 n LEU 314 CO 0.13 0.33 0.83 0.40 -1.33 0.00 0.00 177.39 177.75 1qi5 h ILE 315 N 0.27 0.85 -0.40 -0.08 2.04 -1.51 0.78 117.51 119.46 1qi5 h ILE 315 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1qi5 h ILE 315 Cb 0.17 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1qi5 h ILE 315 CO 0.00 0.00 0.26 0.03 0.00 0.00 0.00 178.15 178.44 1qi5 h ARG 316 N -0.12 0.52 -0.75 2.37 3.08 -1.87 -1.21 114.38 116.41 1qi5 h ARG 316 Ca 0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1qi5 h ARG 316 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1qi5 h ARG 316 CO -0.05 0.34 0.23 1.96 -1.07 0.00 0.00 179.97 181.39 1qi5 h GLN 317 N 0.53 1.17 -0.01 0.04 7.50 -1.85 -1.03 115.11 121.46 1qi5 h GLN 317 Ca 0.15 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 59.05 1qi5 h GLN 317 Cb -0.06 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.31 1qi5 h GLN 317 CO -0.04 0.99 0.01 0.00 -1.50 0.00 0.00 178.83 178.29 1qi5 h ALA 318 N 1.13 0.01 -0.61 3.87 0.00 -0.61 -0.54 119.26 122.52 1qi5 h ALA 318 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1qi5 h ALA 318 Cb 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1qi5 h ALA 318 CO -0.01 -0.44 0.09 1.88 0.00 0.00 0.00 179.25 180.77 1qi5 h TYR 319 N -0.07 1.06 -1.00 0.00 0.05 -1.15 -1.19 116.97 114.66 1qi5 h TYR 319 Ca 0.00 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.65 1qi5 h TYR 319 Cb 0.09 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.49 1qi5 h TYR 319 CO -0.05 0.90 0.66 0.00 -1.05 0.00 0.00 178.16 178.62 1qi5 h ALA 320 N 1.15 1.29 0.15 3.88 0.00 -0.97 -0.37 119.26 124.38 1qi5 h ALA 320 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qi5 h ALA 320 Cb 0.42 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qi5 h ALA 320 CO 0.01 0.66 -0.07 -0.92 0.00 0.00 0.00 179.25 178.93 1qi5 h TYR 321 N 1.35 -0.18 -0.05 0.00 3.20 -0.79 -2.83 116.97 117.67 1qi5 h TYR 321 Ca 0.36 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 1qi5 h TYR 321 Cb -0.15 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1qi5 h TYR 321 CO 0.00 0.23 -0.37 -0.84 -1.64 0.00 0.00 178.16 175.54 1qi5 h ILE 322 N -0.67 1.28 0.00 1.81 3.07 -1.03 -2.44 117.51 119.53 1qi5 h ILE 322 Ca -0.02 -1.35 -0.05 0.00 1.55 0.00 0.00 64.86 64.99 1qi5 h ILE 322 Cb 0.50 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 1qi5 h ILE 322 CO 0.03 0.39 -0.26 -0.07 -1.05 0.00 0.00 178.15 177.20 1qi5 h LEU 323 N 0.08 0.00 -1.04 0.16 3.38 -1.15 -3.26 115.31 113.48 1qi5 h LEU 323 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qi5 h LEU 323 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qi5 h LEU 323 CO 0.05 0.26 -0.44 0.35 0.09 0.00 0.00 178.44 178.75 1qi5 n THR 324 N -3.25 0.00 -4.30 0.22 -2.24 -1.07 -4.57 114.28 99.08 1qi5 n THR 324 Ca 0.02 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1qi5 n THR 324 Cb 0.55 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 1qi5 n THR 324 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qi5 s SER 325 N -2.41 4.36 1.17 3.42 1.04 -0.94 -4.90 113.70 115.44 1qi5 s SER 325 Ca 0.19 -1.36 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 1qi5 s SER 325 Cb 0.18 0.20 0.25 0.00 0.10 0.00 0.00 66.02 66.75 1qi5 s SER 325 CO 0.55 -0.85 0.77 -2.65 0.98 0.00 0.00 173.24 172.04 1qi5 n PRO 326 N -1.42 -2.33 0.00 4.02 -0.02 -1.26 -4.84 135.00 129.15 1qi5 n PRO 326 Ca -0.08 -0.65 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1qi5 n PRO 326 Cb 0.65 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1qi5 n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qi5 n GLY 327 N 1.28 -2.09 3.24 -1.23 0.00 -0.21 -4.86 105.19 101.32 1qi5 n GLY 327 Ca 0.02 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1qi5 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qi5 s THR 328 N -0.12 3.05 0.37 2.61 2.01 -0.41 -3.87 115.64 119.29 1qi5 s THR 328 Ca 0.00 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 1qi5 s THR 328 Cb 0.00 -2.49 -0.10 0.00 0.01 0.00 0.00 72.50 69.92 1qi5 s THR 328 CO 0.00 0.27 0.85 -2.16 -0.69 0.00 0.00 174.62 172.89 1qi5 s PRO 329 N 1.38 4.14 -0.07 4.92 0.04 -1.26 -1.15 135.00 142.99 1qi5 s PRO 329 Ca 0.02 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1qi5 s PRO 329 Cb -0.16 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1qi5 s PRO 329 CO -0.04 0.07 -0.17 0.08 0.04 0.00 0.00 177.00 176.98 1qi5 s VAL 330 N -2.06 1.47 -0.14 -0.36 1.01 0.02 -1.97 120.40 118.37 1qi5 s VAL 330 Ca 0.58 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1qi5 s VAL 330 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1qi5 s VAL 330 CO 0.15 0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 174.96 1qi5 s VAL 331 N 0.40 3.94 -0.04 2.92 1.01 0.23 -4.41 120.40 124.44 1qi5 s VAL 331 Ca -0.13 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1qi5 s VAL 331 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1qi5 s VAL 331 CO 0.05 0.52 1.13 -0.47 0.00 0.00 0.00 175.10 176.33 1qi5 s TYR 332 N 0.09 3.35 0.17 5.22 5.04 -1.26 -0.29 117.35 129.68 1qi5 s TYR 332 Ca -0.00 1.37 -0.18 0.00 -2.44 0.00 0.00 57.07 55.82 1qi5 s TYR 332 Cb -0.13 -3.34 0.13 0.00 0.35 0.00 0.00 41.96 38.97 1qi5 s TYR 332 CO 0.03 -0.92 1.29 1.87 -1.34 0.00 0.00 175.55 176.48 1qi5 n TRP 333 N 4.81 -0.09 -0.17 4.97 -0.00 -1.01 -1.82 117.44 124.13 1qi5 n TRP 333 Ca 0.10 1.03 -0.04 0.00 -0.00 0.00 0.00 57.50 58.59 1qi5 n TRP 333 Cb 0.47 -0.74 0.06 0.00 -0.00 0.00 0.00 31.31 31.10 1qi5 n TRP 333 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1qi5 h ASP 334 N 0.00 0.33 -0.66 5.87 5.19 -1.88 0.82 116.42 126.10 1qi5 h ASP 334 Ca 0.24 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.62 1qi5 h ASP 334 Cb 0.45 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 1qi5 h ASP 334 CO -0.81 0.23 0.14 0.45 -3.12 0.00 0.00 179.24 176.12 1qi5 h HIS 335 N 0.47 1.14 0.14 4.55 3.86 -1.76 0.12 115.15 123.67 1qi5 h HIS 335 Ca 0.23 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1qi5 h HIS 335 Cb 0.17 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1qi5 h HIS 335 CO -0.11 0.95 -0.07 1.98 0.86 0.00 0.00 177.93 181.53 1qi5 h MET 336 N 1.00 -0.19 0.00 2.45 1.85 -0.73 -2.39 114.93 116.92 1qi5 h MET 336 Ca 0.21 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1qi5 h MET 336 Cb 0.40 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.47 1qi5 h MET 336 CO 0.01 0.25 -0.52 0.66 -0.40 0.00 0.00 176.91 176.91 1qi5 n TYR 337 N -4.95 0.00 -0.08 1.39 4.01 0.28 -3.51 117.16 114.31 1qi5 n TYR 337 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 1qi5 n TYR 337 Cb 0.26 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 1qi5 n TYR 337 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1qi5 n ASP 338 N -1.26 1.88 -0.56 7.72 8.00 -0.24 -4.79 116.55 127.30 1qi5 n ASP 338 Ca 0.02 0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.72 1qi5 n ASP 338 Cb 0.17 -0.36 0.44 0.00 -0.02 0.00 0.00 41.12 41.34 1qi5 n ASP 338 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1qi5 n TRP 339 N -3.36 0.09 -1.69 1.24 8.01 0.25 -4.99 117.44 116.98 1qi5 n TRP 339 Ca -0.29 -0.04 -0.01 0.00 -1.31 0.00 0.00 57.50 55.85 1qi5 n TRP 339 Cb 0.74 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.04 1qi5 n TRP 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qi5 n GLY 340 N 1.19 0.37 0.43 6.99 0.00 -1.26 -4.93 105.19 107.98 1qi5 n GLY 340 Ca 0.18 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1qi5 n GLY 340 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qi5 n TYR 341 N -3.65 0.00 -0.24 1.61 4.01 -0.90 -4.58 117.16 113.42 1qi5 n TYR 341 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 1qi5 n TYR 341 Cb 0.35 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1qi5 n TYR 341 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qi5 h GLY 342 N 4.87 -0.39 1.01 2.72 0.00 -1.59 0.14 103.07 109.82 1qi5 h GLY 342 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1qi5 h GLY 342 CO 0.00 -0.16 0.46 -0.55 0.00 0.00 0.00 176.54 176.29 1qi5 h ASP 343 N -0.18 0.93 -0.09 0.19 3.32 -1.88 0.16 116.42 118.87 1qi5 h ASP 343 Ca 0.20 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qi5 h ASP 343 Cb 0.56 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1qi5 h ASP 343 CO -0.74 0.73 0.04 0.15 -1.72 0.00 0.00 179.24 177.70 1qi5 h PHE 344 N 1.06 0.14 -0.65 4.55 3.57 -1.66 -1.96 116.94 121.99 1qi5 h PHE 344 Ca 0.28 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1qi5 h PHE 344 Cb -0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1qi5 h PHE 344 CO -0.01 0.26 0.25 0.82 -2.23 0.00 0.00 178.31 177.40 1qi5 h ILE 345 N -0.01 1.23 -0.52 1.41 2.04 -0.34 -2.26 117.51 119.05 1qi5 h ILE 345 Ca 0.03 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1qi5 h ILE 345 Cb 0.17 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1qi5 h ILE 345 CO -0.00 0.29 0.30 0.03 0.00 0.00 0.00 178.15 178.77 1qi5 h ARG 346 N 0.94 0.72 -0.39 2.37 3.08 -0.42 -1.07 114.38 119.61 1qi5 h ARG 346 Ca 0.22 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1qi5 h ARG 346 Cb 0.19 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1qi5 h ARG 346 CO -0.02 0.54 0.11 1.96 -1.07 0.00 0.00 179.97 181.49 1qi5 h GLN 347 N 0.70 0.24 -0.41 0.04 4.20 -0.79 -2.05 115.11 117.03 1qi5 h GLN 347 Ca 0.19 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1qi5 h GLN 347 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1qi5 h GLN 347 CO -0.03 0.16 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.18 1qi5 h LEU 348 N 0.25 0.66 -0.77 1.46 3.38 -1.07 -0.03 115.31 119.19 1qi5 h LEU 348 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1qi5 h LEU 348 Cb 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1qi5 h LEU 348 CO -0.21 0.76 0.48 0.40 0.09 0.00 0.00 178.44 179.95 1qi5 h ILE 349 N 0.64 1.21 -0.56 1.22 2.04 -0.72 0.12 117.51 121.46 1qi5 h ILE 349 Ca 0.12 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1qi5 h ILE 349 Cb 0.46 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1qi5 h ILE 349 CO 0.02 0.22 -0.08 1.56 0.00 0.00 0.00 178.15 179.87 1qi5 h GLN 350 N 1.05 1.04 -0.29 2.37 4.20 -0.87 -1.01 115.11 121.59 1qi5 h GLN 350 Ca 0.28 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1qi5 h GLN 350 Cb -0.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1qi5 h GLN 350 CO -0.05 1.06 0.14 0.28 -0.67 0.00 0.00 178.83 179.59 1qi5 h VAL 351 N 0.92 1.15 -0.51 -0.54 2.07 -0.23 -0.58 116.25 118.52 1qi5 h VAL 351 Ca 0.15 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1qi5 h VAL 351 Cb 0.64 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1qi5 h VAL 351 CO 0.04 0.15 0.33 -0.09 0.02 0.00 0.00 177.57 178.02 1qi5 h ARG 352 N 0.33 0.68 -0.52 1.57 2.43 -0.56 -0.72 114.38 117.61 1qi5 h ARG 352 Ca 0.10 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1qi5 h ARG 352 Cb 0.11 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1qi5 h ARG 352 CO -0.01 0.47 -0.09 0.00 -1.51 0.00 0.00 179.97 178.83 1qi5 h ARG 353 N 0.69 0.97 -0.67 0.20 3.08 -1.08 -2.10 114.38 115.47 1qi5 h ARG 353 Ca 0.19 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1qi5 h ARG 353 Cb -0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1qi5 h ARG 353 CO -0.04 1.02 0.10 0.00 -1.07 0.00 0.00 179.97 179.99 1qi5 h ALA 354 N 0.91 0.91 0.00 0.04 0.00 -0.82 -2.53 119.26 117.78 1qi5 h ALA 354 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qi5 h ALA 354 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qi5 h ALA 354 CO 0.04 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1qi5 h ALA 355 N 1.06 1.00 -1.83 0.00 0.00 -1.06 -3.40 119.26 115.03 1qi5 h ALA 355 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1qi5 h ALA 355 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1qi5 h ALA 355 CO 0.01 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.51 1qi5 n GLY 356 N 0.48 0.46 3.74 0.00 0.00 -0.84 -0.18 105.19 108.85 1qi5 n GLY 356 Ca 0.02 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1qi5 n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qi5 s VAL 357 N -2.86 3.95 0.27 1.61 1.01 -0.88 -0.20 120.40 123.31 1qi5 s VAL 357 Ca 0.11 1.76 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1qi5 s VAL 357 Cb -0.05 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1qi5 s VAL 357 CO 0.13 0.34 0.14 0.00 0.00 0.00 0.00 175.10 175.71 1qi5 s ARG 358 N -0.62 1.47 0.31 2.72 1.70 -1.26 -4.89 118.95 118.38 1qi5 s ARG 358 Ca 0.47 -1.82 0.07 0.00 -0.47 0.00 0.00 55.73 53.98 1qi5 s ARG 358 Cb -0.28 -0.06 0.86 0.00 -0.57 0.00 0.00 34.95 34.90 1qi5 s ARG 358 CO 0.34 -0.40 1.67 0.00 -1.08 0.00 0.00 175.30 175.83 1qi5 h ALA 359 N 2.34 1.59 -0.27 7.88 0.00 -1.34 0.40 119.26 129.86 1qi5 h ALA 359 Ca -0.35 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1qi5 h ALA 359 Cb 1.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1qi5 h ALA 359 CO 0.54 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 178.93 1qi5 n ASP 360 N -5.10 2.74 -4.61 0.00 5.75 -1.26 -1.05 116.55 113.02 1qi5 n ASP 360 Ca 0.26 -1.88 -0.38 0.00 -0.01 0.00 0.00 54.79 52.77 1qi5 n ASP 360 Cb 0.79 -0.17 0.05 0.00 -1.03 0.00 0.00 41.12 40.76 1qi5 n ASP 360 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1qi5 n SER 361 N 1.03 0.66 -4.78 -1.12 7.64 0.13 -4.90 113.62 112.28 1qi5 n SER 361 Ca 0.18 0.80 -0.38 0.00 1.01 0.00 0.00 58.87 60.47 1qi5 n SER 361 Cb 0.50 -1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.26 1qi5 n SER 361 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qi5 s ALA 362 N -1.53 3.30 -0.02 -0.43 0.00 -1.26 -4.62 121.76 117.21 1qi5 s ALA 362 Ca 0.76 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1qi5 s ALA 362 Cb -0.42 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1qi5 s ALA 362 CO 0.47 0.22 -0.00 -1.50 0.00 0.00 0.00 175.76 174.95 1qi5 s ILE 363 N -1.42 0.15 -0.02 0.00 2.07 -1.26 -0.61 121.20 120.11 1qi5 s ILE 363 Ca 0.45 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.78 1qi5 s ILE 363 Cb -0.21 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 1qi5 s ILE 363 CO 0.26 0.10 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.74 1qi5 s SER 364 N 0.61 2.50 -0.09 4.50 0.01 -0.53 -4.92 113.70 115.78 1qi5 s SER 364 Ca -0.06 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 1qi5 s SER 364 Cb -0.09 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1qi5 s SER 364 CO -0.01 0.25 -0.01 -0.36 0.41 0.00 0.00 173.24 173.52 1qi5 s PHE 365 N -0.40 3.13 -0.33 2.43 0.08 -1.26 -0.68 117.98 120.96 1qi5 s PHE 365 Ca 0.06 0.16 -0.07 0.00 0.12 0.00 0.00 56.93 57.19 1qi5 s PHE 365 Cb -0.09 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1qi5 s PHE 365 CO -0.00 0.44 0.11 -1.01 -0.10 0.00 0.00 175.22 174.66 1qi5 s HIS 366 N -0.83 3.21 0.47 0.36 3.76 -0.09 -4.99 115.29 117.18 1qi5 s HIS 366 Ca 0.13 -1.17 0.15 0.00 -0.15 0.00 0.00 55.06 54.02 1qi5 s HIS 366 Cb -0.11 -2.29 1.10 0.00 1.11 0.00 0.00 32.58 32.38 1qi5 s HIS 366 CO 0.02 -0.65 2.05 0.77 -0.85 0.00 0.00 174.74 176.08 1qi5 h SER 367 N 8.26 0.00 0.00 1.40 0.02 -1.98 -3.36 113.55 117.89 1qi5 h SER 367 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1qi5 h SER 367 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1qi5 h SER 367 CO 0.61 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 1qi5 n GLY 368 N -1.20 -0.98 3.63 -3.77 0.00 -1.26 -4.90 105.19 96.71 1qi5 n GLY 368 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1qi5 n GLY 368 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qi5 s TYR 369 N -2.00 2.38 0.55 1.61 2.02 -1.26 -5.06 117.35 115.59 1qi5 s TYR 369 Ca 0.46 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1qi5 s TYR 369 Cb 0.21 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1qi5 s TYR 369 CO 0.35 0.38 0.84 -1.54 -1.57 0.00 0.00 175.55 174.01 1qi5 s SER 370 N -3.72 5.72 0.30 2.29 1.04 -1.26 -4.91 113.70 113.17 1qi5 s SER 370 Ca 0.31 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1qi5 s SER 370 Cb 0.09 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1qi5 s SER 370 CO 0.16 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1qi5 n GLY 371 N -2.44 0.06 3.34 7.32 0.00 -1.20 -3.82 105.19 108.44 1qi5 n GLY 371 Ca 0.03 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1qi5 n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qi5 s LEU 372 N 0.00 2.77 -0.11 0.99 1.98 -0.32 -4.28 118.68 119.70 1qi5 s LEU 372 Ca 0.00 -0.35 0.02 0.00 -2.89 0.00 0.00 54.13 50.90 1qi5 s LEU 372 Cb 0.00 -1.65 0.01 0.00 0.66 0.00 0.00 46.19 45.21 1qi5 s LEU 372 CO 0.00 0.10 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.71 1qi5 s VAL 373 N 0.75 1.57 0.05 1.68 1.01 -1.26 -1.23 120.40 122.98 1qi5 s VAL 373 Ca -0.04 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1qi5 s VAL 373 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1qi5 s VAL 373 CO 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1qi5 s ALA 374 N 0.97 0.52 -0.19 5.51 0.00 -0.49 -0.92 121.76 127.16 1qi5 s ALA 374 Ca -0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1qi5 s ALA 374 Cb -0.15 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1qi5 s ALA 374 CO -0.02 -0.18 -0.12 0.99 0.00 0.00 0.00 175.76 176.43 1qi5 s THR 375 N -2.43 2.78 -0.15 0.00 2.01 0.14 -1.53 115.64 116.46 1qi5 s THR 375 Ca -0.03 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1qi5 s THR 375 Cb -0.03 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1qi5 s THR 375 CO -0.03 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 1qi5 s VAL 376 N 1.26 3.08 -1.06 3.82 1.01 -0.04 -1.45 120.40 127.02 1qi5 s VAL 376 Ca 0.03 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1qi5 s VAL 376 Cb -0.14 -2.32 0.17 0.00 0.00 0.00 0.00 36.38 34.09 1qi5 s VAL 376 CO -0.06 0.50 1.22 -0.44 0.00 0.00 0.00 175.10 176.33 1qi5 s SER 377 N 0.63 6.90 0.83 3.32 0.01 0.22 -1.09 113.70 124.51 1qi5 s SER 377 Ca -0.06 -2.66 -0.11 0.00 1.31 0.00 0.00 55.95 54.42 1qi5 s SER 377 Cb -0.15 -2.36 0.09 0.00 0.21 0.00 0.00 66.02 63.80 1qi5 s SER 377 CO 0.03 -0.81 1.09 -0.83 0.41 0.00 0.00 173.24 173.13 1qi5 s GLY 378 N 2.93 1.63 0.51 3.44 0.00 0.15 -4.08 107.32 111.90 1qi5 s GLY 378 Ca 0.35 -0.05 0.31 0.00 0.00 0.00 0.00 44.72 45.33 1qi5 s GLY 378 CO -0.05 0.38 1.88 1.48 0.00 0.00 0.00 173.10 176.79 1qi5 h SER 379 N -1.25 0.00 0.00 1.64 4.64 -0.16 -3.30 113.55 115.11 1qi5 h SER 379 Ca -0.47 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.63 1qi5 h SER 379 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1qi5 h SER 379 CO 0.56 0.00 -1.84 0.00 -0.87 0.00 0.00 176.83 174.68 1qi5 n GLN 380 N -3.07 0.42 -4.04 4.77 1.13 0.75 -4.97 117.38 112.37 1qi5 n GLN 380 Ca 0.02 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.07 1qi5 n GLN 380 Cb 0.36 -1.30 -0.09 0.00 0.11 0.00 0.00 30.24 29.33 1qi5 n GLN 380 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qi5 s GLN 381 N -2.29 0.85 -0.11 -1.09 -0.21 0.06 -4.97 119.66 111.89 1qi5 s GLN 381 Ca -0.19 -1.23 -0.05 0.00 0.02 0.00 0.00 55.36 53.90 1qi5 s GLN 381 Cb 0.05 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.30 1qi5 s GLN 381 CO 0.34 -0.24 0.08 0.99 -2.12 0.00 0.00 175.29 174.34 1qi5 s THR 382 N -3.96 5.00 0.03 -0.19 2.01 -1.26 -0.68 115.64 116.60 1qi5 s THR 382 Ca 0.14 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1qi5 s THR 382 Cb 0.06 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1qi5 s THR 382 CO -0.05 0.60 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.55 1qi5 s LEU 383 N -0.85 2.61 -0.15 4.42 1.43 -0.25 -1.48 118.68 124.40 1qi5 s LEU 383 Ca 0.13 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1qi5 s LEU 383 Cb -0.12 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1qi5 s LEU 383 CO 0.03 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 1qi5 s VAL 384 N -0.90 2.95 -0.15 -1.59 1.01 -0.21 -0.86 120.40 120.65 1qi5 s VAL 384 Ca 0.14 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1qi5 s VAL 384 Cb -0.10 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1qi5 s VAL 384 CO 0.05 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 1qi5 s VAL 385 N 0.71 2.28 -0.14 2.92 1.01 -0.58 -1.53 120.40 125.06 1qi5 s VAL 385 Ca -0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1qi5 s VAL 385 Cb -0.15 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1qi5 s VAL 385 CO 0.02 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 1qi5 s ALA 386 N 0.85 1.35 -0.15 5.51 0.00 -0.65 -1.40 121.76 127.26 1qi5 s ALA 386 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1qi5 s ALA 386 Cb -0.15 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1qi5 s ALA 386 CO -0.02 -0.66 -0.21 -0.51 0.00 0.00 0.00 175.76 174.36 1qi5 s LEU 387 N 1.69 2.11 -1.63 0.00 1.43 -0.37 -1.87 118.68 120.05 1qi5 s LEU 387 Ca 0.02 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 1qi5 s LEU 387 Cb -0.14 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.75 1qi5 s LEU 387 CO -0.08 0.05 0.82 0.59 0.23 0.00 0.00 176.35 177.97 1qi5 n ASN 388 N 4.25 -3.54 -4.57 2.29 5.03 0.40 -1.18 115.26 117.94 1qi5 n ASN 388 Ca -0.20 -0.94 -0.26 0.00 0.87 0.00 0.00 54.58 54.05 1qi5 n ASN 388 Cb 0.51 -3.15 -0.09 0.00 -1.02 0.00 0.00 39.78 36.03 1qi5 n ASN 388 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qi5 s SER 389 N -3.39 4.19 0.00 6.41 0.15 -1.25 -3.27 113.70 116.54 1qi5 s SER 389 Ca 0.66 -0.66 0.27 0.00 0.70 0.00 0.00 55.95 56.92 1qi5 s SER 389 Cb -0.35 -0.67 0.95 0.00 -1.71 0.00 0.00 66.02 64.23 1qi5 s SER 389 CO 0.89 0.08 1.68 -0.90 1.20 0.00 0.00 173.24 176.19 1qi5 n ASP 390 N -0.20 1.09 -4.49 5.45 5.68 -1.25 -4.94 116.55 117.88 1qi5 n ASP 390 Ca -0.09 -1.06 -0.44 0.00 -0.50 0.00 0.00 54.79 52.70 1qi5 n ASP 390 Cb 0.57 0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 1qi5 n ASP 390 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1qi5 n LEU 391 N -0.42 0.27 -0.14 -2.12 7.94 -1.26 -4.91 117.00 116.36 1qi5 n LEU 391 Ca 0.15 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.82 1qi5 n LEU 391 Cb 0.33 -1.13 -0.10 0.00 0.53 0.00 0.00 43.42 43.05 1qi5 n LEU 391 CO 0.22 -2.39 -1.42 0.61 -1.11 0.00 0.00 177.39 173.31 1qi5 n GLY 392 N 1.64 -0.46 3.07 -3.96 0.00 -1.26 -5.04 105.19 99.19 1qi5 n GLY 392 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1qi5 n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi5 s ASN 393 N -7.43 0.19 0.49 1.61 4.22 -1.26 -5.04 114.94 107.72 1qi5 s ASN 393 Ca -0.38 -0.50 0.15 0.00 -2.14 0.00 0.00 52.86 49.99 1qi5 s ASN 393 Cb 0.14 0.19 1.16 0.00 1.28 0.00 0.00 41.25 44.02 1qi5 s ASN 393 CO 0.50 -0.43 2.09 1.55 -2.04 0.00 0.00 177.10 178.77 1qi5 h PRO 394 N 4.01 0.17 0.00 3.55 0.13 -1.96 -1.76 132.00 136.14 1qi5 h PRO 394 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qi5 h PRO 394 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qi5 h PRO 394 CO 0.47 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1qi5 n GLY 395 N -1.53 -1.08 0.17 1.56 0.00 -1.26 -1.11 105.19 101.93 1qi5 n GLY 395 Ca 0.01 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1qi5 n GLY 395 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qi5 h GLN 396 N 0.00 0.00 0.00 1.61 4.20 -1.74 -3.30 115.11 115.88 1qi5 h GLN 396 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qi5 h GLN 396 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1qi5 h GLN 396 CO 0.00 0.44 -0.40 1.33 -0.67 0.00 0.00 178.83 179.53 1qi5 n VAL 397 N -3.93 0.00 -3.87 -0.54 0.24 -0.97 -5.06 118.33 104.20 1qi5 n VAL 397 Ca -0.01 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1qi5 n VAL 397 Cb 0.48 0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 33.60 1qi5 n VAL 397 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qi5 s ALA 398 N -1.53 -0.33 0.14 2.33 0.00 -0.27 -5.04 121.76 117.08 1qi5 s ALA 398 Ca 0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 1qi5 s ALA 398 Cb 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 1qi5 s ALA 398 CO 0.13 -0.20 0.73 0.45 0.00 0.00 0.00 175.76 176.86 1qi5 s SER 399 N -1.32 7.31 0.00 0.00 0.15 -1.26 -4.12 113.70 114.46 1qi5 s SER 399 Ca -0.14 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1qi5 s SER 399 Cb -0.07 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1qi5 s SER 399 CO 0.02 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1qi5 n GLY 400 N 1.64 1.54 3.52 9.45 0.00 -1.26 -5.03 105.19 115.05 1qi5 n GLY 400 Ca -0.07 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1qi5 n GLY 400 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qi5 s SER 401 N 0.00 6.14 -0.03 1.61 0.15 -1.26 -4.89 113.70 115.42 1qi5 s SER 401 Ca 0.00 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1qi5 s SER 401 Cb 0.00 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1qi5 s SER 401 CO 0.00 -0.35 -0.10 -0.36 1.20 0.00 0.00 173.24 173.63 1qi5 s PHE 402 N 1.91 2.83 0.16 3.44 0.08 -1.26 -4.16 117.98 120.98 1qi5 s PHE 402 Ca 0.09 -0.07 0.10 0.00 0.12 0.00 0.00 56.93 57.18 1qi5 s PHE 402 Cb -0.17 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1qi5 s PHE 402 CO 0.11 0.30 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.23 1qi5 s SER 403 N -1.01 3.79 0.05 1.36 0.01 -0.06 -4.91 113.70 112.93 1qi5 s SER 403 Ca 0.14 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.42 1qi5 s SER 403 Cb -0.11 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.59 1qi5 s SER 403 CO 0.03 0.14 1.24 -0.70 0.41 0.00 0.00 173.24 174.36 1qi5 s GLU 404 N -2.47 4.40 -0.15 12.44 2.12 -1.26 -0.69 118.70 133.08 1qi5 s GLU 404 Ca 0.20 1.81 0.01 0.00 0.36 0.00 0.00 54.97 57.36 1qi5 s GLU 404 Cb -0.09 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 1qi5 s GLU 404 CO 0.11 -0.33 -0.14 0.00 -0.54 0.00 0.00 175.26 174.37 1qi5 n ALA 405 N 4.18 1.67 -3.25 6.30 0.00 0.21 -4.87 120.51 124.74 1qi5 n ALA 405 Ca 0.10 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 1qi5 n ALA 405 Cb 0.46 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 1qi5 n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qi5 s VAL 406 N -2.31 -0.01 -0.30 0.00 1.01 -0.57 -4.97 120.40 113.26 1qi5 s VAL 406 Ca -0.21 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1qi5 s VAL 406 Cb 0.05 -0.28 0.13 0.00 0.00 0.00 0.00 36.38 36.29 1qi5 s VAL 406 CO 0.36 0.02 0.28 0.21 0.00 0.00 0.00 175.10 175.96 1qi5 s ASN 407 N 0.41 1.95 0.23 3.32 3.04 -1.25 -0.93 114.94 121.71 1qi5 s ASN 407 Ca -0.03 -0.95 0.01 0.00 0.04 0.00 0.00 52.86 51.93 1qi5 s ASN 407 Cb -0.04 0.36 -0.05 0.00 -1.54 0.00 0.00 41.25 39.98 1qi5 s ASN 407 CO -0.02 -0.38 0.08 0.00 -3.04 0.00 0.00 177.10 173.73 1qi5 s ALA 408 N 2.20 1.55 -1.39 1.71 0.00 0.08 -4.86 121.76 121.06 1qi5 s ALA 408 Ca 0.10 -1.77 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 1qi5 s ALA 408 Cb -0.15 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1qi5 s ALA 408 CO -0.30 -0.44 0.50 0.43 0.00 0.00 0.00 175.76 175.95 1qi5 n SER 409 N -0.38 -0.62 -3.67 0.00 7.64 -1.26 -1.85 113.62 113.48 1qi5 n SER 409 Ca -0.02 -0.96 -0.23 0.00 1.01 0.00 0.00 58.87 58.67 1qi5 n SER 409 Cb 0.65 -3.30 0.06 0.00 -1.01 0.00 0.00 64.21 60.61 1qi5 n SER 409 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qi5 n ASN 410 N -3.00 -3.56 0.00 6.43 3.02 -1.26 -2.08 115.26 114.82 1qi5 n ASN 410 Ca -0.30 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1qi5 n ASN 410 Cb 0.68 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1qi5 n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qi5 n GLY 411 N -1.61 0.76 0.19 7.41 0.00 -0.98 -4.88 105.19 106.08 1qi5 n GLY 411 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1qi5 n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qi5 h GLN 412 N 2.10 0.00 -4.03 1.61 4.20 -1.15 -3.38 115.11 114.45 1qi5 h GLN 412 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1qi5 h GLN 412 Cb 0.03 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.42 1qi5 h GLN 412 CO 0.00 0.00 -0.77 0.08 -0.67 0.00 0.00 178.83 177.47 1qi5 s VAL 413 N -3.40 1.20 -0.02 -0.54 1.01 -0.77 -0.46 120.40 117.41 1qi5 s VAL 413 Ca 0.04 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1qi5 s VAL 413 Cb 0.09 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1qi5 s VAL 413 CO 0.51 -0.25 -0.08 -0.13 0.00 0.00 0.00 175.10 175.15 1qi5 s ARG 414 N 1.53 0.86 -0.02 2.72 0.52 -0.78 -0.74 118.95 123.04 1qi5 s ARG 414 Ca -0.01 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 1qi5 s ARG 414 Cb -0.18 -0.82 0.02 0.00 0.52 0.00 0.00 34.95 34.50 1qi5 s ARG 414 CO -0.10 0.11 0.01 0.08 0.02 0.00 0.00 175.30 175.42 1qi5 s VAL 415 N 0.17 0.09 0.10 3.52 1.01 -0.10 -1.63 120.40 123.55 1qi5 s VAL 415 Ca -0.03 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1qi5 s VAL 415 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1qi5 s VAL 415 CO 0.00 0.11 -0.23 0.26 0.00 0.00 0.00 175.10 175.24 1qi5 s TRP 416 N 0.85 1.99 0.10 5.22 0.51 -0.58 0.63 118.94 127.67 1qi5 s TRP 416 Ca -0.08 -0.40 0.07 0.00 -2.12 0.00 0.00 56.10 53.57 1qi5 s TRP 416 Cb -0.11 -1.11 -0.03 0.00 -0.81 0.00 0.00 33.47 31.40 1qi5 s TRP 416 CO -0.02 0.22 -0.18 -0.98 -0.51 0.00 0.00 176.95 175.48 1qi5 s ARG 417 N -1.79 1.05 0.00 4.98 1.70 0.14 -1.05 118.95 123.98 1qi5 s ARG 417 Ca 0.09 -1.15 0.25 0.00 -0.47 0.00 0.00 55.73 54.45 1qi5 s ARG 417 Cb -0.10 -1.19 1.46 0.00 -0.57 0.00 0.00 34.95 34.56 1qi5 s ARG 417 CO 0.04 0.27 1.83 -1.13 -1.08 0.00 0.00 175.30 175.22