#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4j n ASP 25 N 0.00 -1.70 -4.68 0.00 8.00 -1.26 -4.93 116.55 111.97 1f4j n ASP 25 Ca 0.00 0.58 -0.40 0.00 0.71 0.00 0.00 54.79 55.68 1f4j n ASP 25 Cb 0.00 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 39.89 1f4j n ASP 25 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1f4j s VAL 26 N -1.92 5.03 0.23 2.53 1.01 -1.26 -5.02 120.40 121.00 1f4j s VAL 26 Ca 0.63 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 1f4j s VAL 26 Cb -0.36 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1f4j s VAL 26 CO 0.60 0.16 1.45 -0.22 0.00 0.00 0.00 175.10 177.10 1f4j s LEU 27 N 1.52 4.38 0.29 3.92 2.96 -1.26 -4.97 118.68 125.52 1f4j s LEU 27 Ca 0.31 2.64 0.03 0.00 -0.22 0.00 0.00 54.13 56.89 1f4j s LEU 27 Cb -0.16 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1f4j s LEU 27 CO 0.12 -0.71 0.15 0.42 -1.32 0.00 0.00 176.35 175.00 1f4j s THR 28 N 0.20 0.35 0.73 3.68 -4.23 -1.26 -1.43 115.64 113.67 1f4j s THR 28 Ca 0.61 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1f4j s THR 28 Cb -0.42 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.00 1f4j s THR 28 CO 0.41 0.00 1.02 0.42 -0.54 0.00 0.00 174.62 175.93 1f4j s THR 29 N -3.67 2.22 0.53 3.99 -4.23 -0.57 -4.89 115.64 109.02 1f4j s THR 29 Ca 0.36 -0.45 0.19 0.00 -1.18 0.00 0.00 61.69 60.62 1f4j s THR 29 Cb 0.06 -2.78 0.30 0.00 1.34 0.00 0.00 72.50 71.42 1f4j s THR 29 CO 0.16 0.00 2.12 1.23 -0.54 0.00 0.00 174.62 177.59 1f4j h GLY 30 N -0.63 0.00 -0.87 3.99 0.00 -1.92 -0.21 103.07 103.43 1f4j h GLY 30 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1f4j h GLY 30 CO 0.46 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.00 1f4j n ALA 31 N -2.55 2.47 -1.03 3.60 0.00 -1.26 -4.90 120.51 116.84 1f4j n ALA 31 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 1f4j n ALA 31 Cb 0.21 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 1f4j n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f4j n GLY 32 N 0.92 0.47 3.75 0.00 0.00 -0.09 -5.03 105.19 105.21 1f4j n GLY 32 Ca 0.09 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1f4j n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4j s ASN 33 N -2.74 7.09 0.44 1.61 0.02 -1.26 -4.77 114.94 115.33 1f4j s ASN 33 Ca 0.00 1.30 -0.25 0.00 -1.02 0.00 0.00 52.86 52.89 1f4j s ASN 33 Cb 0.00 -2.42 -0.08 0.00 0.02 0.00 0.00 41.25 38.77 1f4j s ASN 33 CO 0.00 0.04 1.39 -2.84 0.02 0.00 0.00 177.10 175.71 1f4j s PRO 34 N -0.03 3.74 -0.33 -0.60 0.02 -1.26 -1.51 135.00 135.02 1f4j s PRO 34 Ca 0.35 2.33 -0.10 0.00 0.02 0.00 0.00 61.00 63.60 1f4j s PRO 34 Cb -0.19 -2.66 -0.00 0.00 0.02 0.00 0.00 34.50 31.67 1f4j s PRO 34 CO 0.20 -0.75 0.17 0.08 -0.33 0.00 0.00 177.00 176.38 1f4j s VAL 35 N -1.23 4.66 0.13 3.83 1.01 -0.52 -4.86 120.40 123.43 1f4j s VAL 35 Ca 0.60 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1f4j s VAL 35 Cb -0.42 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1f4j s VAL 35 CO 0.54 -0.01 1.61 1.23 0.00 0.00 0.00 175.10 178.47 1f4j h GLY 36 N 8.38 0.75 -6.35 4.51 0.00 -1.94 -3.43 103.07 104.99 1f4j h GLY 36 Ca -0.31 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.36 1f4j h GLY 36 CO 0.63 0.46 -0.48 -0.35 0.00 0.00 0.00 176.54 176.81 1f4j s ASP 37 N -6.11 0.25 -0.28 0.19 3.68 -1.26 -5.03 116.67 108.12 1f4j s ASP 37 Ca -0.13 0.46 0.10 0.00 2.13 0.00 0.00 52.55 55.11 1f4j s ASP 37 Cb 0.10 1.02 0.55 0.00 -1.45 0.00 0.00 42.92 43.14 1f4j s ASP 37 CO 0.78 -0.27 1.53 1.17 0.13 0.00 0.00 175.17 178.51 1f4j n LYS 38 N 5.36 2.30 -0.00 4.34 4.81 -1.26 -4.42 118.16 129.29 1f4j n LYS 38 Ca -0.06 -3.07 0.02 0.00 -0.87 0.00 0.00 58.31 54.33 1f4j n LYS 38 Cb 0.50 -1.90 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 1f4j n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f4j n LEU 39 N -0.90 0.07 -4.11 3.14 4.77 -1.26 -5.01 117.00 113.71 1f4j n LEU 39 Ca 0.34 -0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1f4j n LEU 39 Cb 1.10 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.06 1f4j n LEU 39 CO 0.25 0.02 -0.45 0.20 -1.33 0.00 0.00 177.39 176.08 1f4j s ASN 40 N -2.01 1.39 0.22 -1.43 0.01 -1.26 -5.15 114.94 106.71 1f4j s ASN 40 Ca -0.00 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1f4j s ASN 40 Cb 0.03 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 1f4j s ASN 40 CO 0.16 0.00 0.35 0.54 -1.51 0.00 0.00 177.10 176.65 1f4j s VAL 41 N -0.83 5.27 -0.26 1.60 0.11 -1.26 -4.95 120.40 120.07 1f4j s VAL 41 Ca -0.00 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 1f4j s VAL 41 Cb -0.07 -3.83 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1f4j s VAL 41 CO 0.01 -0.28 1.03 -0.63 -3.33 0.00 0.00 175.10 171.89 1f4j s ILE 42 N -1.94 4.65 0.32 7.04 1.01 -1.26 -5.03 121.20 125.98 1f4j s ILE 42 Ca 0.35 1.90 0.05 0.00 0.00 0.00 0.00 60.65 62.95 1f4j s ILE 42 Cb -0.10 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1f4j s ILE 42 CO 0.29 -0.26 0.02 0.42 0.00 0.00 0.00 174.94 175.42 1f4j s THR 43 N 3.29 1.40 -0.65 2.92 -4.23 -1.26 -1.72 115.64 115.39 1f4j s THR 43 Ca 0.43 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.74 1f4j s THR 43 Cb -0.14 -2.71 0.13 0.00 1.34 0.00 0.00 72.50 71.11 1f4j s THR 43 CO 0.09 -0.09 0.72 0.54 -0.54 0.00 0.00 174.62 175.34 1f4j s VAL 44 N -3.16 4.99 0.00 2.29 0.11 -0.59 -4.85 120.40 119.20 1f4j s VAL 44 Ca 0.34 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1f4j s VAL 44 Cb 0.08 -4.49 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 1f4j s VAL 44 CO 0.15 -1.11 0.00 0.61 -3.33 0.00 0.00 175.10 171.42 1f4j n GLY 45 N 5.10 -0.67 0.19 6.54 0.00 -1.26 -2.91 105.19 112.18 1f4j n GLY 45 Ca -0.04 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.32 1f4j n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f4j h PRO 46 N 0.00 0.01 -0.97 1.61 0.13 -2.01 -3.21 132.00 127.57 1f4j h PRO 46 Ca 0.00 -0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 1f4j h PRO 46 Cb 0.00 -0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.71 1f4j h PRO 46 CO 0.00 0.37 -0.64 0.54 -0.23 0.00 0.00 178.00 178.04 1f4j n ARG 47 N -4.11 3.50 -4.32 0.86 1.74 -1.26 -5.03 116.66 108.03 1f4j n ARG 47 Ca -0.02 -4.17 -0.27 0.00 -0.77 0.00 0.00 57.85 52.62 1f4j n ARG 47 Cb 0.40 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.49 1f4j n ARG 47 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1f4j s GLY 48 N -3.41 2.47 1.01 -0.13 0.00 -1.15 -5.03 107.32 101.09 1f4j s GLY 48 Ca 0.51 -1.90 -0.12 0.00 0.00 0.00 0.00 44.72 43.21 1f4j s GLY 48 CO -0.03 -2.00 0.92 -1.05 0.00 0.00 0.00 173.10 170.95 1f4j n PRO 49 N -1.20 -1.07 -2.85 2.90 -0.02 -1.26 -4.05 135.00 127.45 1f4j n PRO 49 Ca -0.04 -0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 60.78 1f4j n PRO 49 Cb 0.66 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1f4j n PRO 49 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1f4j s LEU 50 N -5.60 4.62 -0.09 2.45 2.96 -1.26 -1.54 118.68 120.22 1f4j s LEU 50 Ca 0.65 1.82 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 1f4j s LEU 50 Cb -0.23 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1f4j s LEU 50 CO 0.62 0.18 0.20 -0.76 -1.32 0.00 0.00 176.35 175.27 1f4j s LEU 51 N -1.19 4.41 0.32 -0.68 1.02 -0.70 -4.97 118.68 116.89 1f4j s LEU 51 Ca 0.39 0.58 0.01 0.00 0.02 0.00 0.00 54.13 55.13 1f4j s LEU 51 Cb -0.25 -2.19 0.52 0.00 0.02 0.00 0.00 46.19 44.29 1f4j s LEU 51 CO 0.29 0.39 1.92 0.58 0.02 0.00 0.00 176.35 179.55 1f4j h VAL 52 N 3.91 1.20 0.00 -1.59 2.07 -1.97 -1.87 116.25 118.00 1f4j h VAL 52 Ca -0.54 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1f4j h VAL 52 Cb 1.23 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1f4j h VAL 52 CO 0.59 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.41 1f4j n GLN 53 N -4.35 0.14 -1.86 1.57 10.64 -1.26 -3.79 117.38 118.46 1f4j n GLN 53 Ca 0.05 0.18 -0.41 0.00 -1.83 0.00 0.00 57.00 54.99 1f4j n GLN 53 Cb 0.14 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.00 1f4j n GLN 53 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1f4j n ASP 54 N -1.25 3.82 0.23 2.61 -0.08 -0.70 -4.62 116.55 116.56 1f4j n ASP 54 Ca 0.04 -2.82 0.08 0.00 -1.51 0.00 0.00 54.79 50.58 1f4j n ASP 54 Cb 0.06 -1.59 0.55 0.00 2.34 0.00 0.00 41.12 42.49 1f4j n ASP 54 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1f4j h VAL 55 N 4.66 0.93 -0.15 5.18 2.07 -1.86 -2.92 116.25 124.17 1f4j h VAL 55 Ca 0.48 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1f4j h VAL 55 Cb 0.73 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1f4j h VAL 55 CO 1.74 0.20 0.09 0.58 0.02 0.00 0.00 177.57 180.20 1f4j h VAL 56 N 0.00 1.06 0.23 2.57 2.07 -1.93 -0.55 116.25 119.69 1f4j h VAL 56 Ca -0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1f4j h VAL 56 Cb 0.42 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1f4j h VAL 56 CO 0.03 0.05 -0.16 0.15 0.02 0.00 0.00 177.57 177.66 1f4j h PHE 57 N 0.18 -0.42 -0.43 1.57 3.57 -1.91 -2.53 116.94 116.97 1f4j h PHE 57 Ca 0.05 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1f4j h PHE 57 Cb 0.01 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1f4j h PHE 57 CO -0.06 -0.25 0.15 1.15 -2.23 0.00 0.00 178.31 177.07 1f4j h THR 58 N -0.39 0.87 -0.09 4.41 2.02 -1.45 0.21 112.91 118.48 1f4j h THR 58 Ca -0.02 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1f4j h THR 58 Cb 0.34 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1f4j h THR 58 CO 0.00 0.06 -0.22 -0.78 0.37 0.00 0.00 175.52 174.95 1f4j h ASP 59 N 0.32 -0.67 -0.45 4.18 3.58 -0.99 0.59 116.42 122.97 1f4j h ASP 59 Ca 0.20 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 1f4j h ASP 59 Cb 0.19 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1f4j h ASP 59 CO -0.20 -0.28 0.04 -0.08 -2.88 0.00 0.00 179.24 175.84 1f4j h GLU 60 N -0.30 0.76 -0.46 0.28 4.81 -1.21 -2.96 114.58 115.50 1f4j h GLU 60 Ca 0.09 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1f4j h GLU 60 Cb 0.43 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1f4j h GLU 60 CO -0.26 0.81 -0.16 1.98 -0.73 0.00 0.00 179.01 180.64 1f4j h MET 61 N 0.61 0.93 0.00 1.92 4.05 -0.17 -2.21 114.93 120.06 1f4j h MET 61 Ca 0.13 -0.38 -0.03 0.00 -0.28 0.00 0.00 59.70 59.14 1f4j h MET 61 Cb 0.44 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1f4j h MET 61 CO 0.02 1.04 -0.16 0.00 0.23 0.00 0.00 176.91 178.03 1f4j h ALA 62 N 0.86 1.57 0.05 0.39 0.00 0.16 -0.57 119.26 121.72 1f4j h ALA 62 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1f4j h ALA 62 Cb 0.72 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1f4j h ALA 62 CO 0.06 0.20 -0.35 1.25 0.00 0.00 0.00 179.25 180.41 1f4j h HIS 63 N 0.00 0.26 -0.83 0.00 6.17 -1.34 -3.08 115.15 116.33 1f4j h HIS 63 Ca -0.00 -0.17 0.14 0.00 0.71 0.00 0.00 60.37 61.04 1f4j h HIS 63 Cb 0.31 -0.02 -0.09 0.00 2.52 0.00 0.00 27.41 30.14 1f4j h HIS 63 CO 0.00 1.09 0.43 0.35 0.71 0.00 0.00 177.93 180.51 1f4j h PHE 64 N -0.65 0.75 -0.05 5.26 3.57 -1.21 0.28 116.94 124.90 1f4j h PHE 64 Ca -0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1f4j h PHE 64 Cb 1.22 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1f4j h PHE 64 CO 0.22 0.20 0.13 -0.44 -2.23 0.00 0.00 178.31 176.19 1f4j h ASP 65 N 0.63 0.00 -0.07 0.41 3.32 -1.10 -2.24 116.42 117.36 1f4j h ASP 65 Ca 0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1f4j h ASP 65 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1f4j h ASP 65 CO -0.35 0.00 -0.06 0.54 -1.72 0.00 0.00 179.24 177.66 1f4j n ARG 66 N -3.27 1.69 0.28 3.56 1.74 0.95 -4.78 116.66 116.83 1f4j n ARG 66 Ca -0.02 -2.74 0.16 0.00 -0.77 0.00 0.00 57.85 54.48 1f4j n ARG 66 Cb 0.21 -1.60 0.79 0.00 -1.02 0.00 0.00 32.46 30.84 1f4j n ARG 66 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1f4j h GLU 67 N 0.54 0.00 -5.73 5.56 5.08 -0.87 -3.45 114.58 115.72 1f4j h GLU 67 Ca 0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.71 1f4j h GLU 67 Cb 1.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 1f4j h GLU 67 CO 0.07 0.06 -0.50 1.03 -1.00 0.00 0.00 179.01 178.67 1f4j s ARG 68 N -3.92 3.40 0.38 2.33 1.81 -1.26 -5.11 118.95 116.58 1f4j s ARG 68 Ca -0.01 -0.22 0.08 0.00 -1.72 0.00 0.00 55.73 53.86 1f4j s ARG 68 Cb 0.11 -3.12 -0.06 0.00 -0.45 0.00 0.00 34.95 31.42 1f4j s ARG 68 CO 0.54 0.74 0.03 0.96 -0.68 0.00 0.00 175.30 176.89 1f4j s ILE 69 N -1.12 2.26 0.28 1.52 -4.36 -1.26 -5.10 121.20 113.42 1f4j s ILE 69 Ca 0.19 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 1f4j s ILE 69 Cb -0.12 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 1f4j s ILE 69 CO 0.09 -0.08 1.06 -2.16 0.24 0.00 0.00 174.94 174.08 1f4j s PRO 70 N -3.74 4.65 1.04 0.37 0.04 -1.26 -5.01 135.00 131.10 1f4j s PRO 70 Ca 0.36 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1f4j s PRO 70 Cb 0.05 -3.15 0.22 0.00 0.04 0.00 0.00 34.50 31.65 1f4j s PRO 70 CO 0.19 0.26 1.07 -1.83 0.04 0.00 0.00 177.00 176.73 1f4j s GLU 71 N -1.48 0.05 0.30 4.56 -1.05 -1.26 -4.91 118.70 114.91 1f4j s GLU 71 Ca 0.45 0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 55.64 1f4j s GLU 71 Cb -0.30 -1.68 -0.11 0.00 -0.44 0.00 0.00 34.13 31.61 1f4j s GLU 71 CO 0.38 -3.03 1.48 1.03 0.95 0.00 0.00 175.26 176.07 1f4j s ARG 72 N -4.79 4.20 0.49 -4.83 0.52 -1.26 -4.86 118.95 108.42 1f4j s ARG 72 Ca 0.66 2.43 0.23 0.00 -0.52 0.00 0.00 55.73 58.53 1f4j s ARG 72 Cb -0.21 -3.05 1.27 0.00 0.52 0.00 0.00 34.95 33.49 1f4j s ARG 72 CO 0.60 -0.48 1.94 -0.24 0.02 0.00 0.00 175.30 177.14 1f4j h VAL 73 N 3.33 0.71 -3.94 3.52 3.04 -1.98 -3.37 116.25 117.56 1f4j h VAL 73 Ca -0.48 -0.06 -0.13 0.00 -1.01 0.00 0.00 66.70 65.03 1f4j h VAL 73 Cb 1.22 0.53 -0.17 0.00 -2.01 0.00 0.00 31.29 30.86 1f4j h VAL 73 CO 0.74 0.03 -0.59 0.68 -1.01 0.00 0.00 177.57 177.43 1f4j s VAL 74 N -5.17 0.15 -1.24 1.51 -7.23 -1.26 -4.88 120.40 102.28 1f4j s VAL 74 Ca -0.06 -1.23 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1f4j s VAL 74 Cb 0.21 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1f4j s VAL 74 CO 0.75 -0.68 0.46 1.41 -0.31 0.00 0.00 175.10 176.74 1f4j n HIS 75 N 0.73 -1.52 -0.08 2.82 -0.00 -0.44 -4.93 115.22 111.81 1f4j n HIS 75 Ca -0.19 0.40 -0.05 0.00 -0.00 0.00 0.00 57.72 57.88 1f4j n HIS 75 Cb 0.59 -3.76 0.16 0.00 -0.00 0.00 0.00 29.99 26.98 1f4j n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1f4j h ALA 76 N 0.79 1.06 -2.23 -1.41 0.00 -1.73 -3.42 119.26 112.32 1f4j h ALA 76 Ca -0.42 -0.30 -0.59 0.00 0.00 0.00 0.00 54.91 53.60 1f4j h ALA 76 Cb 1.29 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1f4j h ALA 76 CO 0.45 0.58 0.53 0.21 0.00 0.00 0.00 179.25 181.01 1f4j s LYS 77 N -4.81 4.16 0.31 0.00 2.47 -1.26 -4.62 119.74 115.99 1f4j s LYS 77 Ca -0.09 0.97 0.01 0.00 -1.56 0.00 0.00 55.97 55.30 1f4j s LYS 77 Cb 0.14 -3.66 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1f4j s LYS 77 CO 0.81 -0.57 0.34 0.20 0.16 0.00 0.00 175.35 176.29 1f4j s GLY 78 N 1.37 1.73 -0.00 5.54 0.00 -1.26 -2.48 107.32 112.21 1f4j s GLY 78 Ca 0.36 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 1f4j s GLY 78 CO 0.08 -1.22 0.05 0.00 0.00 0.00 0.00 173.10 172.01 1f4j s ALA 79 N -3.46 -0.09 0.09 3.20 0.00 0.73 -4.91 121.76 117.33 1f4j s ALA 79 Ca 0.35 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1f4j s ALA 79 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1f4j s ALA 79 CO 0.21 -0.12 -0.09 0.20 0.00 0.00 0.00 175.76 175.95 1f4j s GLY 80 N -0.87 0.80 0.18 0.00 0.00 -1.26 -0.02 107.32 106.15 1f4j s GLY 80 Ca -0.10 -1.18 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 1f4j s GLY 80 CO 0.00 -1.25 0.68 0.00 0.00 0.00 0.00 173.10 172.53 1f4j s ALA 81 N -2.54 -1.52 0.21 3.20 0.00 -1.11 -4.33 121.76 115.67 1f4j s ALA 81 Ca 0.05 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1f4j s ALA 81 Cb -0.02 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1f4j s ALA 81 CO -0.01 -0.85 -0.04 -0.06 0.00 0.00 0.00 175.76 174.81 1f4j s PHE 82 N -3.71 1.52 0.00 0.00 0.40 0.15 -2.05 117.98 114.29 1f4j s PHE 82 Ca 0.05 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 1f4j s PHE 82 Cb -0.02 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.66 1f4j s PHE 82 CO -0.07 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.30 1f4j n GLY 83 N -0.37 -0.68 3.52 4.36 0.00 -0.55 -0.15 105.19 111.32 1f4j n GLY 83 Ca -0.07 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1f4j n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f4j s TYR 84 N -1.14 -0.11 -0.13 1.61 -0.85 -0.14 -0.48 117.35 116.12 1f4j s TYR 84 Ca 0.00 -0.23 -0.00 0.00 -0.52 0.00 0.00 57.07 56.31 1f4j s TYR 84 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 1f4j s TYR 84 CO 0.00 -0.91 -0.13 0.12 -1.52 0.00 0.00 175.55 173.11 1f4j s PHE 85 N -3.88 2.82 -0.11 -3.49 5.36 0.70 -1.06 117.98 118.33 1f4j s PHE 85 Ca 0.09 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.46 1f4j s PHE 85 Cb -0.01 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1f4j s PHE 85 CO -0.03 -0.20 -0.18 -2.00 -1.46 0.00 0.00 175.22 171.35 1f4j s GLU 86 N 0.35 2.48 0.17 10.12 2.12 -0.48 0.18 118.70 133.63 1f4j s GLU 86 Ca -0.11 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 1f4j s GLU 86 Cb -0.16 -2.02 -0.08 0.00 0.26 0.00 0.00 34.13 32.14 1f4j s GLU 86 CO 0.06 0.00 1.23 0.08 -0.54 0.00 0.00 175.26 176.10 1f4j s VAL 87 N 0.79 3.53 -0.02 3.70 1.01 -0.24 -0.85 120.40 128.31 1f4j s VAL 87 Ca -0.10 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1f4j s VAL 87 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1f4j s VAL 87 CO 0.01 0.18 0.02 0.35 0.00 0.00 0.00 175.10 175.65 1f4j n THR 88 N 2.81 0.17 -4.31 3.92 -2.24 -0.03 0.42 114.28 115.02 1f4j n THR 88 Ca 0.06 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1f4j n THR 88 Cb 0.44 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 1f4j n THR 88 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1f4j s HIS 89 N -2.09 1.73 -0.32 4.78 3.76 -0.76 -4.80 115.29 117.58 1f4j s HIS 89 Ca -0.01 -0.49 -0.24 0.00 -0.15 0.00 0.00 55.06 54.17 1f4j s HIS 89 Cb 0.01 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.83 1f4j s HIS 89 CO 0.12 0.28 0.81 0.34 -0.85 0.00 0.00 174.74 175.44 1f4j s ASP 90 N -2.59 6.66 -0.11 1.40 -1.08 -1.26 -4.83 116.67 114.85 1f4j s ASP 90 Ca 0.14 0.62 0.14 0.00 -0.52 0.00 0.00 52.55 52.93 1f4j s ASP 90 Cb -0.06 -2.42 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 1f4j s ASP 90 CO 0.06 -0.66 1.15 2.30 0.52 0.00 0.00 175.17 178.53 1f4j n ILE 91 N 5.63 1.34 0.30 4.11 -5.35 -1.26 -4.77 119.36 119.35 1f4j n ILE 91 Ca 0.04 -1.98 0.18 0.00 -0.27 0.00 0.00 62.75 60.71 1f4j n ILE 91 Cb 0.48 0.11 0.92 0.00 -1.74 0.00 0.00 39.64 39.41 1f4j n ILE 91 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1f4j h THR 92 N 2.79 0.25 -0.15 7.28 1.35 -1.88 -1.36 112.91 121.19 1f4j h THR 92 Ca -0.04 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 1f4j h THR 92 Cb 1.23 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1f4j h THR 92 CO 0.02 0.04 -0.05 0.07 -0.25 0.00 0.00 175.52 175.35 1f4j h LYS 93 N 0.00 0.21 0.05 4.72 2.10 -2.00 -3.24 116.57 118.42 1f4j h LYS 93 Ca -0.00 -0.04 -0.36 0.00 -2.00 0.00 0.00 60.65 58.26 1f4j h LYS 93 Cb 0.21 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.46 1f4j h LYS 93 CO 0.01 0.28 -2.03 0.66 -2.00 0.00 0.00 179.45 176.37 1f4j n TYR 94 N -4.36 0.72 -4.55 0.07 4.01 -0.58 -4.67 117.16 107.80 1f4j n TYR 94 Ca -0.01 0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.70 1f4j n TYR 94 Cb 0.20 -1.09 -0.16 0.00 -0.31 0.00 0.00 39.34 37.98 1f4j n TYR 94 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1f4j s SER 95 N -6.95 1.62 0.00 7.72 0.15 -0.81 -2.02 113.70 113.41 1f4j s SER 95 Ca -0.29 -0.26 0.14 0.00 0.70 0.00 0.00 55.95 56.24 1f4j s SER 95 Cb 0.08 -0.58 0.55 0.00 -1.71 0.00 0.00 66.02 64.36 1f4j s SER 95 CO 0.65 0.07 1.40 2.29 1.20 0.00 0.00 173.24 178.84 1f4j n LYS 96 N 3.50 1.57 -1.70 5.44 2.85 0.49 -4.23 118.16 126.08 1f4j n LYS 96 Ca -0.20 -0.88 -0.44 0.00 -1.05 0.00 0.00 58.31 55.74 1f4j n LYS 96 Cb 0.53 -1.29 -0.03 0.00 -0.65 0.00 0.00 35.03 33.59 1f4j n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f4j n ALA 97 N 0.15 1.84 -0.09 0.58 0.00 -1.23 -4.83 120.51 116.94 1f4j n ALA 97 Ca 0.12 0.41 0.05 0.00 0.00 0.00 0.00 53.44 54.02 1f4j n ALA 97 Cb 0.24 -2.39 0.39 0.00 0.00 0.00 0.00 19.45 17.69 1f4j n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1f4j h LYS 98 N 5.33 0.64 0.00 0.00 1.57 -1.92 -0.73 116.57 121.45 1f4j h LYS 98 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1f4j h LYS 98 Cb 1.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f4j h LYS 98 CO 0.84 0.42 0.15 -0.24 -0.57 0.00 0.00 179.45 180.06 1f4j h VAL 99 N 0.66 0.00 0.00 0.50 3.04 -1.95 -0.68 116.25 117.81 1f4j h VAL 99 Ca 0.22 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.83 1f4j h VAL 99 Cb 0.08 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.19 1f4j h VAL 99 CO -0.06 0.00 -1.92 0.49 -1.01 0.00 0.00 177.57 175.07 1f4j n PHE 100 N -2.98 0.00 0.00 3.17 3.72 -0.32 -4.75 117.46 116.29 1f4j n PHE 100 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1f4j n PHE 100 Cb 0.21 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 1f4j n PHE 100 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1f4j n GLU 101 N -2.27 0.00 -3.93 -1.08 2.13 -0.26 -4.55 120.64 110.68 1f4j n GLU 101 Ca -0.10 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.62 1f4j n GLU 101 Cb 0.63 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.24 1f4j n GLU 101 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1f4j s HIS 102 N -2.92 0.17 0.43 4.31 -3.43 -1.26 -4.94 115.29 107.65 1f4j s HIS 102 Ca 0.00 -0.38 -0.26 0.00 -0.80 0.00 0.00 55.06 53.62 1f4j s HIS 102 Cb 0.00 -0.13 -0.09 0.00 -1.43 0.00 0.00 32.58 30.93 1f4j s HIS 102 CO 0.00 -0.25 1.43 0.42 -2.00 0.00 0.00 174.74 174.34 1f4j s ILE 103 N -1.57 2.13 0.00 -5.38 1.01 -1.26 -2.50 121.20 113.62 1f4j s ILE 103 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1f4j s ILE 103 Cb -0.08 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1f4j s ILE 103 CO -0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1f4j n GLY 104 N 0.56 1.65 3.68 6.18 0.00 0.17 -4.98 105.19 112.45 1f4j n GLY 104 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1f4j n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4j s LYS 105 N -0.34 4.25 -0.13 1.61 2.20 -1.04 -4.68 119.74 121.60 1f4j s LYS 105 Ca 0.00 2.04 -0.07 0.00 -0.36 0.00 0.00 55.97 57.58 1f4j s LYS 105 Cb 0.00 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1f4j s LYS 105 CO 0.00 -0.65 0.13 0.15 -0.36 0.00 0.00 175.35 174.63 1f4j s LYS 106 N 2.71 3.58 -0.11 4.03 1.02 -1.26 -1.08 119.74 128.63 1f4j s LYS 106 Ca 0.66 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 56.49 1f4j s LYS 106 Cb -0.33 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1f4j s LYS 106 CO 0.27 0.68 -0.03 0.99 -0.92 0.00 0.00 175.35 176.34 1f4j s THR 107 N -0.75 0.70 0.28 2.17 2.01 0.13 -4.95 115.64 115.24 1f4j s THR 107 Ca 0.13 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1f4j s THR 107 Cb -0.12 -0.84 -0.12 0.00 0.01 0.00 0.00 72.50 71.43 1f4j s THR 107 CO 0.03 0.25 1.46 -0.81 -0.69 0.00 0.00 174.62 174.86 1f4j n PRO 108 N 5.04 2.31 -4.24 4.92 -0.04 -1.26 -0.21 135.00 141.51 1f4j n PRO 108 Ca -0.10 0.82 -0.19 0.00 -0.04 0.00 0.00 63.50 63.99 1f4j n PRO 108 Cb 0.50 -2.51 -0.11 0.00 -0.04 0.00 0.00 33.50 31.33 1f4j n PRO 108 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1f4j s ILE 109 N -0.27 1.40 -0.05 0.52 -4.36 0.37 -1.87 121.20 116.95 1f4j s ILE 109 Ca 0.64 -1.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1f4j s ILE 109 Cb -0.57 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 1f4j s ILE 109 CO 0.52 -0.31 -0.21 0.00 0.24 0.00 0.00 174.94 175.18 1f4j s ALA 110 N -1.80 1.83 0.09 2.27 0.00 -0.45 -1.48 121.76 122.22 1f4j s ALA 110 Ca 0.07 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1f4j s ALA 110 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1f4j s ALA 110 CO 0.03 0.35 -0.14 0.08 0.00 0.00 0.00 175.76 176.08 1f4j s VAL 111 N -0.09 1.18 -0.03 0.00 1.01 -0.87 -0.55 120.40 121.05 1f4j s VAL 111 Ca -0.03 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.51 1f4j s VAL 111 Cb -0.12 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1f4j s VAL 111 CO 0.03 -0.28 0.04 -0.60 0.00 0.00 0.00 175.10 174.28 1f4j s ARG 112 N -2.03 -0.03 0.04 2.72 3.52 -0.96 -2.74 118.95 119.48 1f4j s ARG 112 Ca 0.01 0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1f4j s ARG 112 Cb -0.08 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1f4j s ARG 112 CO 0.02 -0.24 0.10 -0.06 -0.81 0.00 0.00 175.30 174.32 1f4j s PHE 113 N 1.55 3.29 0.15 5.12 0.08 0.98 -2.25 117.98 126.89 1f4j s PHE 113 Ca -0.03 0.16 -0.24 0.00 0.12 0.00 0.00 56.93 56.94 1f4j s PHE 113 Cb -0.13 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1f4j s PHE 113 CO -0.03 0.55 0.75 -1.54 -0.10 0.00 0.00 175.22 174.85 1f4j s SER 114 N -2.12 -0.38 0.00 1.36 1.04 -0.87 -0.19 113.70 112.54 1f4j s SER 114 Ca 0.27 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1f4j s SER 114 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1f4j s SER 114 CO 0.19 -0.97 0.00 0.35 0.98 0.00 0.00 173.24 173.79 1f4j n THR 115 N -0.38 0.00 0.08 2.02 -2.24 -1.04 0.42 114.28 113.15 1f4j n THR 115 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1f4j n THR 115 Cb 0.62 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1f4j n THR 115 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1f4j n VAL 116 N 0.00 0.59 0.02 2.28 0.31 -1.26 -3.99 118.33 116.28 1f4j n VAL 116 Ca 0.00 0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.42 1f4j n VAL 116 Cb 0.00 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 1f4j n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f4j h ALA 117 N 0.00 -0.15 -2.37 3.52 0.00 -1.95 -1.15 119.26 117.16 1f4j h ALA 117 Ca 0.00 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 1f4j h ALA 117 Cb 0.00 0.06 0.19 0.00 0.00 0.00 0.00 17.79 18.04 1f4j h ALA 117 CO 0.00 -0.24 -0.57 0.41 0.00 0.00 0.00 179.25 178.85 1f4j n GLY 118 N 0.72 -1.91 4.00 0.00 0.00 -1.26 -4.86 105.19 101.88 1f4j n GLY 118 Ca -0.08 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1f4j n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f4j s GLU 119 N -2.51 2.35 0.37 1.61 1.03 -1.26 -4.15 118.70 116.14 1f4j s GLU 119 Ca 0.63 -1.68 0.24 0.00 0.03 0.00 0.00 54.97 54.19 1f4j s GLU 119 Cb -0.36 -2.53 0.84 0.00 -0.80 0.00 0.00 34.13 31.28 1f4j s GLU 119 CO 0.60 -0.73 0.91 0.43 -1.33 0.00 0.00 175.26 175.14 1f4j n SER 120 N -2.08 0.00 -0.44 0.83 7.64 -1.26 0.04 113.62 118.34 1f4j n SER 120 Ca 0.11 0.56 0.05 0.00 1.01 0.00 0.00 58.87 60.60 1f4j n SER 120 Cb 0.62 -0.24 0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1f4j n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f4j n GLY 121 N -1.48 3.40 3.78 0.23 0.00 -1.26 -4.88 105.19 104.97 1f4j n GLY 121 Ca 0.21 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1f4j n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f4j s SER 122 N -1.46 4.28 0.44 1.61 1.04 0.11 -5.02 113.70 114.70 1f4j s SER 122 Ca 0.22 1.39 -0.21 0.00 0.48 0.00 0.00 55.95 57.83 1f4j s SER 122 Cb 0.16 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 64.06 1f4j s SER 122 CO 0.08 -2.11 0.98 0.00 0.98 0.00 0.00 173.24 173.17 1f4j s ALA 123 N -3.08 3.00 0.06 5.32 0.00 -1.26 -4.80 121.76 120.99 1f4j s ALA 123 Ca 0.61 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1f4j s ALA 123 Cb -0.15 -3.18 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 1f4j s ALA 123 CO 0.55 0.00 1.14 -0.44 0.00 0.00 0.00 175.76 177.02 1f4j h ASP 124 N 1.84 0.85 -1.46 0.00 5.19 -0.22 -3.39 116.42 119.24 1f4j h ASP 124 Ca -0.49 -0.77 -0.75 0.00 -0.62 0.00 0.00 57.03 54.39 1f4j h ASP 124 Cb 1.19 -0.26 -0.16 0.00 0.18 0.00 0.00 39.33 40.28 1f4j h ASP 124 CO 0.61 1.52 1.96 0.35 -3.12 0.00 0.00 179.24 180.56 1f4j n THR 125 N -3.89 4.34 -4.18 0.35 -2.24 -1.26 -4.93 114.28 102.47 1f4j n THR 125 Ca -0.12 -4.43 -0.13 0.00 -2.27 0.00 0.00 64.05 57.10 1f4j n THR 125 Cb 0.89 -2.37 -0.10 0.00 -2.10 0.00 0.00 70.33 66.65 1f4j n THR 125 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1f4j s VAL 126 N 0.50 0.86 0.10 2.28 -7.23 -1.26 -4.45 120.40 111.19 1f4j s VAL 126 Ca 0.40 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 1f4j s VAL 126 Cb 0.08 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 1f4j s VAL 126 CO 0.00 -0.70 1.35 -0.60 -0.31 0.00 0.00 175.10 174.85 1f4j s ARG 127 N -3.26 4.34 0.00 4.82 3.52 -1.26 -4.72 118.95 122.39 1f4j s ARG 127 Ca 0.09 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1f4j s ARG 127 Cb 0.01 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1f4j s ARG 127 CO -0.02 -0.41 0.00 -3.47 -0.81 0.00 0.00 175.30 170.60 1f4j n ASP 128 N 3.98 0.00 -3.08 -2.12 2.03 -1.19 -5.04 116.55 111.14 1f4j n ASP 128 Ca 0.11 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 1f4j n ASP 128 Cb 0.43 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.97 1f4j n ASP 128 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1f4j n PRO 129 N -0.47 -2.54 -3.83 -0.67 -0.02 -1.26 -4.79 135.00 121.41 1f4j n PRO 129 Ca 0.00 -0.89 -0.20 0.00 -2.02 0.00 0.00 63.50 60.39 1f4j n PRO 129 Cb 0.00 -0.91 -0.17 0.00 -0.02 0.00 0.00 33.50 32.40 1f4j n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f4j s ARG 130 N -4.26 0.36 0.26 -0.52 1.81 -1.26 -4.32 118.95 111.02 1f4j s ARG 130 Ca 0.37 0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.23 1f4j s ARG 130 Cb -0.04 -0.68 -0.09 0.00 -0.45 0.00 0.00 34.95 33.68 1f4j s ARG 130 CO 0.29 -0.23 1.06 0.20 -0.68 0.00 0.00 175.30 175.94 1f4j s GLY 131 N 1.59 3.05 -0.41 -3.53 0.00 0.17 -1.13 107.32 107.06 1f4j s GLY 131 Ca -0.02 0.82 0.07 0.00 0.00 0.00 0.00 44.72 45.60 1f4j s GLY 131 CO -0.03 1.45 0.51 0.33 0.00 0.00 0.00 173.10 175.36 1f4j n PHE 132 N 1.42 -0.18 -2.99 1.90 -0.00 0.42 -2.06 117.46 115.98 1f4j n PHE 132 Ca -0.01 -3.57 -0.40 0.00 -0.00 0.00 0.00 57.45 53.48 1f4j n PHE 132 Cb 0.45 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.48 39.60 1f4j n PHE 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1f4j s ALA 133 N -1.09 3.38 -0.09 3.13 0.00 -0.95 -3.08 121.76 123.06 1f4j s ALA 133 Ca 0.35 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1f4j s ALA 133 Cb 0.15 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1f4j s ALA 133 CO -0.12 0.08 -0.14 0.08 0.00 0.00 0.00 175.76 175.66 1f4j s VAL 134 N -0.14 1.37 -0.20 0.00 1.01 0.62 -2.27 120.40 120.78 1f4j s VAL 134 Ca 0.38 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1f4j s VAL 134 Cb -0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1f4j s VAL 134 CO 0.23 0.41 -0.03 -0.75 0.00 0.00 0.00 175.10 174.96 1f4j s LYS 135 N 0.80 3.48 -0.32 2.72 2.20 0.29 0.18 119.74 129.09 1f4j s LYS 135 Ca -0.11 -0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 54.82 1f4j s LYS 135 Cb -0.16 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1f4j s LYS 135 CO 0.02 -0.08 0.15 -0.06 -0.36 0.00 0.00 175.35 175.02 1f4j s PHE 136 N 1.19 3.19 -1.04 4.03 0.40 0.42 -1.34 117.98 124.82 1f4j s PHE 136 Ca 0.03 -0.73 -0.21 0.00 -0.60 0.00 0.00 56.93 55.41 1f4j s PHE 136 Cb -0.14 -2.35 0.08 0.00 0.51 0.00 0.00 43.02 41.11 1f4j s PHE 136 CO -0.00 -0.52 1.41 0.71 0.70 0.00 0.00 175.22 177.51 1f4j s TYR 137 N 1.58 2.75 0.38 0.36 1.51 -0.78 -1.14 117.35 122.00 1f4j s TYR 137 Ca 0.04 -1.14 0.01 0.00 -1.01 0.00 0.00 57.07 54.97 1f4j s TYR 137 Cb -0.18 -4.59 -0.02 0.00 -0.11 0.00 0.00 41.96 37.07 1f4j s TYR 137 CO 0.06 -1.79 0.58 0.95 -1.11 0.00 0.00 175.55 174.24 1f4j s THR 138 N 4.16 4.70 0.41 -0.71 -4.23 -0.93 -4.53 115.64 114.51 1f4j s THR 138 Ca 0.44 -0.51 0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1f4j s THR 138 Cb -0.01 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 70.42 1f4j s THR 138 CO -0.07 -0.46 2.08 -0.33 -0.54 0.00 0.00 174.62 175.30 1f4j h GLU 139 N 0.65 0.00 -0.93 3.99 3.07 -1.94 -0.49 114.58 118.94 1f4j h GLU 139 Ca -0.48 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.14 1f4j h GLU 139 Cb 1.23 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.00 1f4j h GLU 139 CO 0.60 0.11 0.30 -0.25 -1.40 0.00 0.00 179.01 178.37 1f4j n ASP 140 N -3.61 3.64 0.00 1.42 9.92 -1.26 -4.39 116.55 122.27 1f4j n ASP 140 Ca -0.02 -2.91 0.00 0.00 -0.53 0.00 0.00 54.79 51.33 1f4j n ASP 140 Cb 0.23 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1f4j n ASP 140 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f4j n GLY 141 N -0.29 0.10 3.76 0.44 0.00 -0.19 -4.67 105.19 104.35 1f4j n GLY 141 Ca 0.33 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1f4j n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f4j s ASN 142 N -0.94 7.06 -0.22 1.61 0.01 -1.26 -2.19 114.94 119.02 1f4j s ASN 142 Ca 0.00 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.41 1f4j s ASN 142 Cb 0.00 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.09 1f4j s ASN 142 CO 0.00 -0.29 -0.11 0.86 -1.51 0.00 0.00 177.10 176.05 1f4j s TRP 143 N -1.29 2.71 -0.22 2.20 -0.00 -0.29 -4.24 118.94 117.81 1f4j s TRP 143 Ca 0.49 -1.84 -0.08 0.00 -0.00 0.00 0.00 56.10 54.66 1f4j s TRP 143 Cb -0.30 -1.75 -0.04 0.00 -0.00 0.00 0.00 33.47 31.38 1f4j s TRP 143 CO 0.39 -0.80 0.10 -0.51 -0.00 0.00 0.00 176.95 176.13 1f4j s ASP 144 N 1.30 5.69 -0.43 5.86 -0.00 -0.16 -0.43 116.67 128.49 1f4j s ASP 144 Ca -0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 52.55 52.52 1f4j s ASP 144 Cb -0.17 -2.00 0.12 0.00 -0.00 0.00 0.00 42.92 40.86 1f4j s ASP 144 CO -0.07 0.09 0.23 -0.22 -0.00 0.00 0.00 175.17 175.20 1f4j s LEU 145 N 0.86 5.26 -0.84 1.23 2.96 0.13 -4.59 118.68 123.68 1f4j s LEU 145 Ca 0.05 -2.13 -0.17 0.00 -0.22 0.00 0.00 54.13 51.66 1f4j s LEU 145 Cb -0.13 -1.83 0.15 0.00 0.50 0.00 0.00 46.19 44.88 1f4j s LEU 145 CO 0.03 -0.53 0.94 -0.69 -1.32 0.00 0.00 176.35 174.78 1f4j s VAL 146 N 1.00 5.03 0.00 1.68 1.01 -1.26 -0.28 120.40 127.58 1f4j s VAL 146 Ca 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1f4j s VAL 146 Cb -0.23 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1f4j s VAL 146 CO -0.04 -1.29 0.00 0.61 0.00 0.00 0.00 175.10 174.38 1f4j n GLY 147 N 4.95 5.45 1.13 4.51 0.00 -1.18 -4.93 105.19 115.12 1f4j n GLY 147 Ca 0.15 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1f4j n GLY 147 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f4j n ASN 148 N -0.87 -0.43 -0.47 1.61 0.23 -1.05 0.16 115.26 114.44 1f4j n ASN 148 Ca 0.00 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1f4j n ASN 148 Cb 0.00 0.82 0.02 0.00 -2.08 0.00 0.00 39.78 38.54 1f4j n ASN 148 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1f4j n ASN 149 N -2.04 1.02 -3.88 0.53 6.94 -0.28 -0.72 115.26 116.82 1f4j n ASN 149 Ca 0.01 -2.03 -0.11 0.00 -0.02 0.00 0.00 54.58 52.42 1f4j n ASN 149 Cb 0.20 -0.42 -0.12 0.00 -2.36 0.00 0.00 39.78 37.08 1f4j n ASN 149 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1f4j s THR 150 N -1.23 0.04 -0.24 5.53 -1.32 -1.26 -4.70 115.64 112.46 1f4j s THR 150 Ca 0.02 -0.35 0.28 0.00 -1.21 0.00 0.00 61.69 60.43 1f4j s THR 150 Cb 0.02 -0.23 0.35 0.00 -1.51 0.00 0.00 72.50 71.13 1f4j s THR 150 CO 0.01 -0.19 1.78 1.55 -2.21 0.00 0.00 174.62 175.56 1f4j h PRO 151 N 5.32 0.00 -5.25 7.08 0.13 -1.93 -3.42 132.00 133.93 1f4j h PRO 151 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1f4j h PRO 151 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1f4j h PRO 151 CO 0.43 0.00 -0.56 0.96 -0.23 0.00 0.00 178.00 178.60 1f4j s ILE 152 N -3.40 1.18 0.30 -3.56 -4.36 -1.26 -4.33 121.20 105.77 1f4j s ILE 152 Ca 0.05 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 1f4j s ILE 152 Cb 0.07 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1f4j s ILE 152 CO 0.60 0.00 0.14 0.33 0.24 0.00 0.00 174.94 176.24 1f4j n PHE 153 N -0.94 -0.06 0.09 1.37 7.35 -0.68 -4.93 117.46 119.66 1f4j n PHE 153 Ca -0.08 -2.05 -0.04 0.00 -0.76 0.00 0.00 57.45 54.53 1f4j n PHE 153 Cb 0.66 0.05 -0.06 0.00 0.35 0.00 0.00 39.48 40.48 1f4j n PHE 153 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1f4j h PHE 154 N 1.59 0.00 -3.78 -5.13 0.04 -1.89 -3.38 116.94 104.39 1f4j h PHE 154 Ca -0.23 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.25 1f4j h PHE 154 Cb 0.93 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.94 1f4j h PHE 154 CO 0.00 0.82 -0.66 0.96 -0.60 0.00 0.00 178.31 178.83 1f4j s ILE 155 N -2.83 0.66 -0.09 -0.55 -4.36 -1.26 -3.06 121.20 109.71 1f4j s ILE 155 Ca 0.02 -1.98 0.13 0.00 -0.26 0.00 0.00 60.65 58.56 1f4j s ILE 155 Cb 0.09 -2.18 0.21 0.00 1.25 0.00 0.00 42.46 41.83 1f4j s ILE 155 CO 0.79 -0.42 1.10 -2.11 0.24 0.00 0.00 174.94 174.54 1f4j n ARG 156 N -0.26 1.60 -3.70 0.37 1.85 -1.26 -4.65 116.66 110.61 1f4j n ARG 156 Ca -0.06 -2.23 -0.17 0.00 -1.00 0.00 0.00 57.85 54.40 1f4j n ARG 156 Cb 0.64 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 30.56 1f4j n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1f4j s ASP 157 N -2.32 0.62 0.39 2.89 -1.08 -1.26 -4.36 116.67 111.54 1f4j s ASP 157 Ca 0.23 0.22 0.16 0.00 -0.52 0.00 0.00 52.55 52.63 1f4j s ASP 157 Cb 0.20 0.09 1.02 0.00 -1.46 0.00 0.00 42.92 42.78 1f4j s ASP 157 CO 0.02 -0.21 1.80 1.55 0.52 0.00 0.00 175.17 178.85 1f4j h PRO 158 N 8.04 0.46 0.00 4.34 0.13 -1.86 -2.53 132.00 140.58 1f4j h PRO 158 Ca -0.23 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f4j h PRO 158 Cb 1.12 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1f4j h PRO 158 CO 0.24 0.30 0.07 1.51 -0.23 0.00 0.00 178.00 179.89 1f4j n ILE 159 N -4.61 1.09 0.46 -3.56 3.06 -1.26 -0.57 119.36 113.97 1f4j n ILE 159 Ca 0.23 0.70 0.10 0.00 -2.50 0.00 0.00 62.75 61.28 1f4j n ILE 159 Cb 0.75 -1.70 0.15 0.00 0.54 0.00 0.00 39.64 39.38 1f4j n ILE 159 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1f4j n LEU 160 N -2.07 3.00 -0.02 9.51 4.32 -0.95 -4.58 117.00 126.19 1f4j n LEU 160 Ca -0.01 -1.32 -0.12 0.00 -0.02 0.00 0.00 56.01 54.54 1f4j n LEU 160 Cb 0.09 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 41.69 1f4j n LEU 160 CO 0.07 0.61 0.79 0.15 -1.22 0.00 0.00 177.39 177.79 1f4j h PHE 161 N 3.84 0.18 -0.42 -1.77 3.04 -0.99 -0.12 116.94 120.71 1f4j h PHE 161 Ca 0.00 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1f4j h PHE 161 Cb 0.86 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 1f4j h PHE 161 CO 0.14 0.33 0.18 -1.35 -2.02 0.00 0.00 178.31 175.58 1f4j h PRO 162 N -0.03 0.35 -0.71 6.41 0.11 -1.81 0.26 132.00 136.59 1f4j h PRO 162 Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1f4j h PRO 162 Cb 0.24 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1f4j h PRO 162 CO -0.00 0.23 0.42 0.77 -0.21 0.00 0.00 178.00 179.21 1f4j h SER 163 N 0.36 0.86 -0.08 -2.05 0.02 -1.84 0.32 113.55 111.15 1f4j h SER 163 Ca 0.19 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1f4j h SER 163 Cb 0.14 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1f4j h SER 163 CO -0.16 0.68 0.01 0.15 -1.14 0.00 0.00 176.83 176.37 1f4j h PHE 164 N 0.96 0.02 -0.38 3.45 3.57 0.07 -0.20 116.94 124.42 1f4j h PHE 164 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1f4j h PHE 164 Cb -0.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1f4j h PHE 164 CO -0.01 0.00 0.18 0.82 -2.23 0.00 0.00 178.31 177.08 1f4j h ILE 165 N 0.04 1.17 -0.34 1.41 1.08 -0.13 -2.22 117.51 118.52 1f4j h ILE 165 Ca 0.03 -0.49 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1f4j h ILE 165 Cb 0.03 0.79 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 1f4j h ILE 165 CO -0.05 0.18 -0.21 0.45 -0.69 0.00 0.00 178.15 177.84 1f4j h HIS 166 N 0.48 -0.53 -0.58 1.37 3.86 -0.01 0.11 115.15 119.86 1f4j h HIS 166 Ca 0.13 0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.53 1f4j h HIS 166 Cb 0.12 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1f4j h HIS 166 CO -0.01 -0.28 0.40 0.66 0.86 0.00 0.00 177.93 179.56 1f4j h SER 167 N -0.16 0.11 1.33 2.45 4.64 -0.76 -0.81 113.55 120.36 1f4j h SER 167 Ca 0.17 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1f4j h SER 167 Cb 0.43 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1f4j h SER 167 CO -0.44 0.06 -0.69 1.56 -0.87 0.00 0.00 176.83 176.45 1f4j h GLN 168 N 0.12 0.00 0.00 4.77 1.08 -0.23 -3.25 115.11 117.59 1f4j h GLN 168 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1f4j h GLN 168 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1f4j h GLN 168 CO -0.03 0.49 0.00 1.63 -0.95 0.00 0.00 178.83 179.97 1f4j n LYS 169 N -3.17 3.47 -3.36 1.46 4.76 -0.31 -4.93 118.16 116.08 1f4j n LYS 169 Ca -0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1f4j n LYS 169 Cb 0.76 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.92 1f4j n LYS 169 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1f4j s ARG 170 N 0.78 3.66 0.26 1.97 0.52 -1.26 -4.31 118.95 120.57 1f4j s ARG 170 Ca 0.00 0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1f4j s ARG 170 Cb 0.00 -2.65 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 1f4j s ARG 170 CO 0.00 0.24 1.54 1.21 0.02 0.00 0.00 175.30 178.31 1f4j s ASN 171 N -2.97 6.51 0.66 0.23 3.84 -0.16 -4.87 114.94 118.17 1f4j s ASN 171 Ca 0.44 2.80 0.36 0.00 0.21 0.00 0.00 52.86 56.67 1f4j s ASN 171 Cb -0.11 -2.62 1.95 0.00 -0.55 0.00 0.00 41.25 39.92 1f4j s ASN 171 CO 0.28 -0.82 2.10 -0.65 -2.79 0.00 0.00 177.10 175.21 1f4j h PRO 172 N 5.23 0.00 0.00 0.43 0.11 -1.97 -1.30 132.00 134.50 1f4j h PRO 172 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1f4j h PRO 172 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1f4j h PRO 172 CO 0.81 0.00 -0.27 0.94 -0.21 0.00 0.00 178.00 179.27 1f4j n GLN 173 N -2.94 0.14 0.23 1.05 7.27 -1.26 -4.74 117.38 117.13 1f4j n GLN 173 Ca -0.02 0.06 0.07 0.00 0.07 0.00 0.00 57.00 57.17 1f4j n GLN 173 Cb 0.24 -0.64 0.56 0.00 2.41 0.00 0.00 30.24 32.82 1f4j n GLN 173 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1f4j h THR 174 N -0.27 0.98 -1.82 1.69 1.35 -1.98 -3.45 112.91 109.42 1f4j h THR 174 Ca 0.00 -0.62 -0.25 0.00 -0.55 0.00 0.00 66.41 64.99 1f4j h THR 174 Cb 0.27 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1f4j h THR 174 CO 0.00 0.17 -0.32 1.57 -0.25 0.00 0.00 175.52 176.68 1f4j n HIS 175 N -4.13 -0.61 -4.35 4.73 -0.00 -0.49 -4.97 115.22 105.40 1f4j n HIS 175 Ca -0.02 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.93 1f4j n HIS 175 Cb 0.25 -2.80 -0.08 0.00 -0.12 0.00 0.00 29.99 27.23 1f4j n HIS 175 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1f4j s LEU 176 N -3.64 2.99 0.32 0.27 1.43 -1.26 -4.73 118.68 114.06 1f4j s LEU 176 Ca 0.00 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 1f4j s LEU 176 Cb -0.00 -1.50 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 1f4j s LEU 176 CO 0.00 0.00 1.38 -0.54 0.23 0.00 0.00 176.35 177.42 1f4j s LYS 177 N -3.62 4.28 -0.36 1.70 -0.14 -1.26 -0.99 119.74 119.34 1f4j s LYS 177 Ca 0.31 2.32 0.02 0.00 -1.36 0.00 0.00 55.97 57.26 1f4j s LYS 177 Cb -0.06 -3.06 0.11 0.00 -1.68 0.00 0.00 37.83 33.15 1f4j s LYS 177 CO 0.18 -0.32 0.12 0.34 -0.76 0.00 0.00 175.35 174.91 1f4j s ASP 178 N -0.20 4.28 0.56 2.83 3.68 -1.26 -4.88 116.67 121.67 1f4j s ASP 178 Ca 0.52 -2.11 0.26 0.00 2.13 0.00 0.00 52.55 53.35 1f4j s ASP 178 Cb -0.42 -1.25 1.49 0.00 -1.45 0.00 0.00 42.92 41.30 1f4j s ASP 178 CO 0.53 -0.36 2.05 -0.65 0.13 0.00 0.00 175.17 176.87 1f4j h PRO 179 N 7.56 0.00 -0.42 4.34 0.11 -1.93 0.11 132.00 141.76 1f4j h PRO 179 Ca -0.08 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1f4j h PRO 179 Cb 0.99 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1f4j h PRO 179 CO 0.51 0.00 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.66 1f4j h ASP 180 N 0.00 0.83 -0.23 -2.05 3.32 -1.93 -1.75 116.42 114.60 1f4j h ASP 180 Ca 0.15 -0.29 -0.19 0.00 0.02 0.00 0.00 57.03 56.72 1f4j h ASP 180 Cb 0.68 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1f4j h ASP 180 CO -0.00 1.01 -0.57 0.24 -1.72 0.00 0.00 179.24 178.20 1f4j h MET 181 N 0.72 0.83 0.78 3.56 2.86 -1.12 -2.01 114.93 120.55 1f4j h MET 181 Ca 0.10 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1f4j h MET 181 Cb 0.72 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.45 1f4j h MET 181 CO 0.06 1.17 -0.38 0.28 1.06 0.00 0.00 176.91 179.10 1f4j h VAL 182 N 0.63 0.00 0.00 -2.22 2.07 -1.14 -2.95 116.25 112.65 1f4j h VAL 182 Ca 0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1f4j h VAL 182 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1f4j h VAL 182 CO 0.12 0.00 0.00 -0.50 0.02 0.00 0.00 177.57 177.21 1f4j h TRP 183 N -1.06 0.00 0.39 1.57 4.06 -1.44 -2.36 115.95 117.12 1f4j h TRP 183 Ca -0.11 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1f4j h TRP 183 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 1f4j h TRP 183 CO 0.05 0.00 -0.19 0.22 -3.56 0.00 0.00 178.44 174.96 1f4j h ASP 184 N 0.00 -0.44 -0.76 -3.49 3.58 -1.42 -0.56 116.42 113.33 1f4j h ASP 184 Ca 0.00 -0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.41 1f4j h ASP 184 Cb 0.79 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.88 1f4j h ASP 184 CO 0.00 -0.07 0.41 0.15 -2.88 0.00 0.00 179.24 176.86 1f4j h PHE 185 N -0.88 0.75 -0.40 0.28 3.57 -1.50 -0.33 116.94 118.42 1f4j h PHE 185 Ca -0.05 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1f4j h PHE 185 Cb 0.55 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1f4j h PHE 185 CO 0.02 0.31 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.82 1f4j h TRP 186 N 0.71 0.87 0.00 0.41 6.55 -1.40 -1.51 115.95 121.58 1f4j h TRP 186 Ca 0.36 -0.18 -0.08 0.00 0.95 0.00 0.00 58.89 59.94 1f4j h TRP 186 Cb 0.33 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 1f4j h TRP 186 CO -0.08 0.90 -0.39 0.66 -1.05 0.00 0.00 178.44 178.48 1f4j h SER 187 N 0.59 0.00 1.33 -3.49 4.64 -0.74 -1.91 113.55 113.97 1f4j h SER 187 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1f4j h SER 187 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1f4j h SER 187 CO 0.04 0.39 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.14 1f4j h LEU 188 N 0.00 0.00 -6.54 5.97 3.38 -0.94 -3.37 115.31 113.80 1f4j h LEU 188 Ca -0.00 -0.06 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 1f4j h LEU 188 Cb 0.81 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.15 1f4j h LEU 188 CO 0.05 0.03 -0.71 0.54 0.09 0.00 0.00 178.44 178.44 1f4j n ARG 189 N -2.26 1.66 0.22 1.13 5.12 -0.58 -4.96 116.66 116.98 1f4j n ARG 189 Ca 0.05 -4.18 0.12 0.00 -1.93 0.00 0.00 57.85 51.91 1f4j n ARG 189 Cb 0.44 -2.04 0.65 0.00 -1.16 0.00 0.00 32.46 30.34 1f4j n ARG 189 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1f4j h PRO 190 N 4.85 0.00 0.00 5.56 0.13 -1.72 -1.96 132.00 138.86 1f4j h PRO 190 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1f4j h PRO 190 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1f4j h PRO 190 CO 0.67 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1f4j n GLU 191 N -2.42 0.01 0.04 0.86 0.00 -1.26 -1.42 120.64 116.45 1f4j n GLU 191 Ca -0.02 0.35 0.13 0.00 0.00 0.00 0.00 57.16 57.63 1f4j n GLU 191 Cb 0.20 -1.52 0.49 0.00 0.00 0.00 0.00 31.44 30.61 1f4j n GLU 191 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1f4j n SER 192 N -1.53 0.38 -0.30 -1.84 3.41 -0.74 -4.21 113.62 108.78 1f4j n SER 192 Ca 0.02 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1f4j n SER 192 Cb 0.11 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 63.79 1f4j n SER 192 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f4j h LEU 193 N 0.00 -0.26 0.87 1.04 3.38 -1.48 0.45 115.31 119.31 1f4j h LEU 193 Ca 0.00 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1f4j h LEU 193 Cb 0.60 0.37 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1f4j h LEU 193 CO 0.00 -0.24 -0.42 -0.74 0.09 0.00 0.00 178.44 177.13 1f4j h HIS 194 N 0.10 -1.09 -0.87 1.13 2.76 -1.80 -1.54 115.15 113.85 1f4j h HIS 194 Ca 0.54 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.66 1f4j h HIS 194 Cb 1.07 0.36 -0.04 0.00 1.55 0.00 0.00 27.41 30.35 1f4j h HIS 194 CO -0.39 -0.68 0.47 0.37 -1.30 0.00 0.00 177.93 176.41 1f4j h GLN 195 N -1.27 1.21 -0.71 5.26 -0.00 -1.67 -1.74 115.11 116.19 1f4j h GLN 195 Ca -0.12 -0.14 0.04 0.00 -0.00 0.00 0.00 58.65 58.43 1f4j h GLN 195 Cb 0.90 -0.24 -0.04 0.00 0.00 0.00 0.00 27.48 28.10 1f4j h GLN 195 CO 0.20 0.89 0.47 0.28 0.00 0.00 0.00 178.83 180.66 1f4j h VAL 196 N 1.22 1.09 -0.23 2.39 2.07 -0.89 0.58 116.25 122.47 1f4j h VAL 196 Ca 0.31 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1f4j h VAL 196 Cb 0.03 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1f4j h VAL 196 CO -0.05 0.15 -0.48 0.28 0.02 0.00 0.00 177.57 177.49 1f4j h SER 197 N 0.83 0.67 -0.13 0.57 0.02 -0.43 -1.55 113.55 113.52 1f4j h SER 197 Ca 0.29 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 1f4j h SER 197 Cb 0.10 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1f4j h SER 197 CO -0.08 1.04 -0.60 0.15 -1.14 0.00 0.00 176.83 176.19 1f4j h PHE 198 N 0.49 0.85 -0.95 3.45 3.04 -0.59 -3.11 116.94 120.11 1f4j h PHE 198 Ca 0.03 -0.37 0.04 0.00 3.98 0.00 0.00 57.97 61.64 1f4j h PHE 198 Cb 1.02 -0.13 -0.06 0.00 2.56 0.00 0.00 35.95 39.34 1f4j h PHE 198 CO 0.05 1.17 0.62 1.25 -2.02 0.00 0.00 178.31 179.38 1f4j h LEU 199 N 0.29 1.03 -1.93 0.59 5.85 0.25 -1.98 115.31 119.41 1f4j h LEU 199 Ca -0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1f4j h LEU 199 Cb 1.24 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1f4j h LEU 199 CO 0.12 0.71 0.00 0.49 -0.34 0.00 0.00 178.44 179.42 1f4j n PHE 200 N -4.44 0.80 -2.78 1.25 3.01 -0.60 -3.74 117.46 110.97 1f4j n PHE 200 Ca 0.13 -0.34 -0.21 0.00 1.01 0.00 0.00 57.45 58.03 1f4j n PHE 200 Cb 0.10 -0.11 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1f4j n PHE 200 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1f4j s SER 201 N -0.84 4.88 0.31 4.37 1.04 -0.75 -4.36 113.70 118.34 1f4j s SER 201 Ca 0.31 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1f4j s SER 201 Cb 0.19 -0.12 0.82 0.00 0.10 0.00 0.00 66.02 67.01 1f4j s SER 201 CO 0.17 -1.46 1.70 0.44 0.98 0.00 0.00 173.24 175.07 1f4j h ASP 202 N -0.08 0.47 0.00 7.02 3.32 -1.90 0.22 116.42 125.48 1f4j h ASP 202 Ca -0.36 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1f4j h ASP 202 Cb 1.28 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1f4j h ASP 202 CO 0.43 0.02 0.25 0.54 -1.72 0.00 0.00 179.24 178.76 1f4j n ARG 203 N -4.99 0.09 0.27 3.56 5.12 -1.26 -2.07 116.66 117.38 1f4j n ARG 203 Ca 0.25 0.56 0.11 0.00 -1.93 0.00 0.00 57.85 56.84 1f4j n ARG 203 Cb 0.72 -2.04 0.74 0.00 -1.16 0.00 0.00 32.46 30.72 1f4j n ARG 203 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1f4j h GLY 204 N 0.00 0.00 -6.65 -0.13 0.00 -0.64 -3.33 103.07 92.33 1f4j h GLY 204 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1f4j h GLY 204 CO 0.00 0.00 -0.83 -0.42 0.00 0.00 0.00 176.54 175.29 1f4j s ILE 205 N -4.79 1.11 0.55 2.60 1.01 -0.88 -3.17 121.20 117.64 1f4j s ILE 205 Ca -0.05 -2.97 -0.21 0.00 0.00 0.00 0.00 60.65 57.42 1f4j s ILE 205 Cb 0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1f4j s ILE 205 CO 0.62 -1.11 1.28 -2.16 0.00 0.00 0.00 174.94 173.56 1f4j s PRO 206 N -0.20 3.16 -1.18 2.79 0.04 -1.25 -0.80 135.00 137.56 1f4j s PRO 206 Ca 0.28 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 1f4j s PRO 206 Cb -0.04 -2.17 0.09 0.00 0.04 0.00 0.00 34.50 32.41 1f4j s PRO 206 CO -0.15 -1.11 1.56 0.34 0.04 0.00 0.00 177.00 177.68 1f4j s ASP 207 N -1.22 6.77 0.12 6.66 3.68 -0.12 -4.62 116.67 127.95 1f4j s ASP 207 Ca 0.72 -2.25 0.00 0.00 2.13 0.00 0.00 52.55 53.15 1f4j s ASP 207 Cb -0.36 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.58 1f4j s ASP 207 CO 0.41 -1.17 0.00 0.61 0.13 0.00 0.00 175.17 175.15 1f4j n GLY 208 N 5.57 -2.25 0.23 2.66 0.00 -1.26 -4.23 105.19 105.91 1f4j n GLY 208 Ca 0.40 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1f4j n GLY 208 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f4j h HIS 209 N -0.34 0.00 0.00 1.61 3.86 -1.88 -3.28 115.15 115.13 1f4j h HIS 209 Ca -0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1f4j h HIS 209 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1f4j h HIS 209 CO 0.00 0.05 -0.09 0.00 0.86 0.00 0.00 177.93 178.76 1f4j h ARG 210 N 0.00 0.00 -1.02 2.45 3.08 -1.96 -3.29 114.38 113.65 1f4j h ARG 210 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1f4j h ARG 210 Cb 0.85 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.56 1f4j h ARG 210 CO 0.01 0.09 0.21 0.72 -1.07 0.00 0.00 179.97 179.93 1f4j n HIS 211 N -3.22 3.06 -4.10 3.04 8.25 -1.24 -4.51 115.22 116.50 1f4j n HIS 211 Ca 0.01 -2.70 -0.10 0.00 -0.26 0.00 0.00 57.72 54.67 1f4j n HIS 211 Cb 0.37 -0.97 -0.09 0.00 1.12 0.00 0.00 29.99 30.41 1f4j n HIS 211 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f4j s MET 212 N -3.75 0.98 0.48 -0.41 0.23 -1.24 -2.30 119.30 113.29 1f4j s MET 212 Ca 0.58 -1.36 0.05 0.00 -1.03 0.00 0.00 55.69 53.93 1f4j s MET 212 Cb 0.46 0.28 0.03 0.00 -1.53 0.00 0.00 34.83 34.07 1f4j s MET 212 CO -0.03 -0.30 0.67 -0.80 -2.03 0.00 0.00 175.02 172.52 1f4j s ASN 213 N -3.02 5.45 0.02 -1.18 0.01 -1.26 -4.05 114.94 110.91 1f4j s ASN 213 Ca 0.22 -0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.11 1f4j s ASN 213 Cb 0.06 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 41.04 1f4j s ASN 213 CO 0.01 -0.96 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.70 1f4j s GLY 214 N -4.41 0.60 0.03 0.66 0.00 -0.67 -3.75 107.32 99.78 1f4j s GLY 214 Ca 0.57 -0.65 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 1f4j s GLY 214 CO 0.36 -0.62 0.02 -0.19 0.00 0.00 0.00 173.10 172.67 1f4j s TYR 215 N -0.71 0.27 -0.77 1.90 2.02 0.10 -0.94 117.35 119.22 1f4j s TYR 215 Ca -0.00 -0.59 0.25 0.00 -0.37 0.00 0.00 57.07 56.35 1f4j s TYR 215 Cb -0.07 -0.20 0.49 0.00 -0.40 0.00 0.00 41.96 41.78 1f4j s TYR 215 CO 0.01 -0.29 1.42 0.41 -1.57 0.00 0.00 175.55 175.53 1f4j n GLY 216 N 1.03 -1.39 5.00 0.71 0.00 -0.47 -2.51 105.19 107.56 1f4j n GLY 216 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1f4j n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f4j n SER 217 N -1.91 0.00 -4.74 1.61 7.64 -1.26 -4.83 113.62 110.13 1f4j n SER 217 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 1f4j n SER 217 Cb 0.40 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1f4j n SER 217 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1f4j s HIS 218 N 0.00 2.25 0.02 1.43 3.76 -1.26 -4.83 115.29 116.66 1f4j s HIS 218 Ca 0.00 1.60 -0.24 0.00 -0.15 0.00 0.00 55.06 56.27 1f4j s HIS 218 Cb 0.00 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 1f4j s HIS 218 CO 0.00 -2.25 0.71 0.99 -0.85 0.00 0.00 174.74 173.35 1f4j s THR 219 N -2.24 4.80 0.49 1.30 2.01 -1.26 -4.66 115.64 116.08 1f4j s THR 219 Ca 0.70 1.51 0.04 0.00 0.31 0.00 0.00 61.69 64.25 1f4j s THR 219 Cb -0.25 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1f4j s THR 219 CO 0.46 0.37 0.13 -0.36 -0.69 0.00 0.00 174.62 174.53 1f4j s PHE 220 N -0.04 2.03 -0.13 4.92 0.40 0.04 -3.87 117.98 121.33 1f4j s PHE 220 Ca 0.36 -0.82 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1f4j s PHE 220 Cb -0.20 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.57 1f4j s PHE 220 CO 0.21 0.08 -0.22 0.21 0.70 0.00 0.00 175.22 176.20 1f4j s LYS 221 N -3.96 2.95 -0.06 0.44 2.20 -0.04 -0.24 119.74 121.02 1f4j s LYS 221 Ca 0.23 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1f4j s LYS 221 Cb 0.02 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 1f4j s LYS 221 CO 0.13 0.04 0.04 -0.51 -0.36 0.00 0.00 175.35 174.69 1f4j s LEU 222 N 0.70 3.79 -0.03 5.43 1.43 -0.03 0.41 118.68 130.38 1f4j s LEU 222 Ca -0.10 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1f4j s LEU 222 Cb -0.16 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1f4j s LEU 222 CO 0.01 0.35 -0.10 -0.69 0.23 0.00 0.00 176.35 176.15 1f4j s VAL 223 N -1.01 0.85 0.43 -1.59 1.01 0.67 -1.21 120.40 119.55 1f4j s VAL 223 Ca 0.17 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1f4j s VAL 223 Cb -0.12 -0.77 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1f4j s VAL 223 CO 0.06 0.27 0.59 -0.46 0.00 0.00 0.00 175.10 175.57 1f4j n ASN 224 N 3.45 1.50 0.14 3.32 0.23 -0.13 -0.38 115.26 123.39 1f4j n ASN 224 Ca -0.20 -2.10 0.10 0.00 -0.53 0.00 0.00 54.58 51.85 1f4j n ASN 224 Cb 0.53 -0.32 0.52 0.00 -2.08 0.00 0.00 39.78 38.44 1f4j n ASN 224 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f4j n ALA 225 N -2.54 1.13 1.10 -2.53 0.00 -1.26 -1.61 120.51 114.80 1f4j n ALA 225 Ca -0.10 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1f4j n ALA 225 Cb 0.43 -1.30 0.15 0.00 0.00 0.00 0.00 19.45 18.74 1f4j n ALA 225 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1f4j n ASN 226 N -2.18 2.10 0.00 0.00 5.03 -1.26 -4.93 115.26 114.02 1f4j n ASN 226 Ca -0.01 -1.56 0.00 0.00 0.87 0.00 0.00 54.58 53.88 1f4j n ASN 226 Cb 0.06 0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1f4j n ASN 226 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f4j n GLY 227 N 1.36 0.73 3.79 7.41 0.00 -0.63 -5.04 105.19 112.80 1f4j n GLY 227 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1f4j n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4j s GLU 228 N -0.44 4.46 0.09 1.61 2.02 -1.26 -4.85 118.70 120.33 1f4j s GLU 228 Ca 0.00 1.05 0.05 0.00 0.02 0.00 0.00 54.97 56.09 1f4j s GLU 228 Cb 0.00 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 1f4j s GLU 228 CO 0.00 0.55 -0.14 0.00 0.02 0.00 0.00 175.26 175.69 1f4j s ALA 229 N -1.20 1.28 0.23 5.21 0.00 -1.26 -0.96 121.76 125.06 1f4j s ALA 229 Ca 0.36 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1f4j s ALA 229 Cb -0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1f4j s ALA 229 CO 0.24 0.14 0.12 0.14 0.00 0.00 0.00 175.76 176.40 1f4j s VAL 230 N -1.58 0.29 0.26 0.00 -7.23 -0.35 -4.58 120.40 107.21 1f4j s VAL 230 Ca 0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1f4j s VAL 230 Cb -0.08 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1f4j s VAL 230 CO 0.02 0.00 0.29 -0.31 -0.31 0.00 0.00 175.10 174.79 1f4j s TYR 231 N -3.93 3.21 0.27 2.82 2.02 -0.28 -0.85 117.35 120.60 1f4j s TYR 231 Ca 0.38 -0.11 -0.18 0.00 -0.37 0.00 0.00 57.07 56.79 1f4j s TYR 231 Cb 0.07 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1f4j s TYR 231 CO 0.13 0.41 0.64 0.00 -1.57 0.00 0.00 175.55 175.16 1f4j s LYS 233 N -3.95 0.74 -0.16 0.00 -0.14 -0.85 -0.78 119.74 114.61 1f4j s LYS 233 Ca 0.14 -0.29 -0.07 0.00 -1.36 0.00 0.00 55.97 54.40 1f4j s LYS 233 Cb -0.04 -0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 35.35 1f4j s LYS 233 CO 0.07 0.15 0.08 -0.06 -0.76 0.00 0.00 175.35 174.83 1f4j s PHE 234 N -0.04 3.35 -0.00 3.18 0.08 -1.26 -1.46 117.98 121.82 1f4j s PHE 234 Ca 0.01 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.32 1f4j s PHE 234 Cb -0.05 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1f4j s PHE 234 CO -0.00 0.37 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.44 1f4j s HIS 235 N -0.17 0.38 -0.26 0.36 3.76 -1.03 -1.37 115.29 116.96 1f4j s HIS 235 Ca 0.08 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1f4j s HIS 235 Cb -0.12 -0.24 0.08 0.00 1.11 0.00 0.00 32.58 33.41 1f4j s HIS 235 CO 0.01 -0.01 0.08 1.52 -0.85 0.00 0.00 174.74 175.48 1f4j s TYR 236 N -0.16 1.31 0.17 1.40 1.13 -0.11 -0.16 117.35 120.93 1f4j s TYR 236 Ca 0.01 -1.32 -0.29 0.00 -1.41 0.00 0.00 57.07 54.06 1f4j s TYR 236 Cb -0.02 -1.36 -0.07 0.00 -1.10 0.00 0.00 41.96 39.40 1f4j s TYR 236 CO -0.00 -0.78 0.91 0.15 -2.51 0.00 0.00 175.55 173.33 1f4j s LYS 237 N 1.76 4.74 -0.01 -3.49 -0.14 -0.37 -1.68 119.74 120.54 1f4j s LYS 237 Ca 0.05 1.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.76 1f4j s LYS 237 Cb -0.17 -3.32 -0.07 0.00 -1.68 0.00 0.00 37.83 32.59 1f4j s LYS 237 CO -0.20 0.40 1.73 -0.08 -0.76 0.00 0.00 175.35 176.44 1f4j s THR 238 N -0.68 3.37 -1.81 2.17 -1.32 -1.26 -0.85 115.64 115.27 1f4j s THR 238 Ca 0.42 0.50 0.22 0.00 -1.21 0.00 0.00 61.69 61.63 1f4j s THR 238 Cb -0.24 -3.32 0.55 0.00 -1.51 0.00 0.00 72.50 67.97 1f4j s THR 238 CO 0.30 -0.04 1.70 0.47 -2.21 0.00 0.00 174.62 174.84 1f4j n ASP 239 N 7.04 0.00 -0.00 8.08 8.00 -0.02 -1.89 116.55 137.77 1f4j n ASP 239 Ca 0.18 -0.47 0.10 0.00 0.71 0.00 0.00 54.79 55.31 1f4j n ASP 239 Cb 0.42 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 41.31 1f4j n ASP 239 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f4j n GLN 240 N -1.10 0.22 0.00 -1.24 3.00 -1.26 -4.98 117.38 112.02 1f4j n GLN 240 Ca 0.15 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1f4j n GLN 240 Cb 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1f4j n GLN 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f4j n GLY 241 N 1.42 0.79 3.71 1.08 0.00 -0.79 -4.95 105.19 106.45 1f4j n GLY 241 Ca 0.01 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1f4j n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f4j s ILE 242 N -2.66 3.91 -0.18 -0.61 -1.09 -1.26 -4.37 121.20 114.95 1f4j s ILE 242 Ca 0.00 1.36 -0.06 0.00 -2.23 0.00 0.00 60.65 59.72 1f4j s ILE 242 Cb 0.00 -3.87 0.08 0.00 -1.58 0.00 0.00 42.46 37.09 1f4j s ILE 242 CO 0.00 0.10 0.37 -0.75 -1.23 0.00 0.00 174.94 173.43 1f4j s LYS 243 N 1.15 0.28 0.51 2.79 2.20 -0.97 -5.04 119.74 120.66 1f4j s LYS 243 Ca 0.60 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 1f4j s LYS 243 Cb -0.31 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1f4j s LYS 243 CO 0.29 -0.25 0.21 -0.80 -0.36 0.00 0.00 175.35 174.43 1f4j s ASN 244 N 2.47 4.39 0.01 1.43 0.01 -1.26 -0.95 114.94 121.04 1f4j s ASN 244 Ca -0.02 -1.39 0.03 0.00 -0.71 0.00 0.00 52.86 50.78 1f4j s ASN 244 Cb -0.12 0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 1f4j s ASN 244 CO -0.12 -0.92 -0.07 -0.76 -1.51 0.00 0.00 177.10 173.73 1f4j s LEU 245 N -4.06 3.16 0.63 0.60 1.43 0.02 -4.56 118.68 115.90 1f4j s LEU 245 Ca 0.24 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 1f4j s LEU 245 Cb 0.00 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1f4j s LEU 245 CO 0.14 0.28 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 1f4j s SER 246 N -1.46 5.35 0.40 2.29 1.04 -1.26 -4.77 113.70 115.29 1f4j s SER 246 Ca 0.17 1.95 0.07 0.00 0.48 0.00 0.00 55.95 58.62 1f4j s SER 246 Cb -0.11 -2.55 0.82 0.00 0.10 0.00 0.00 66.02 64.28 1f4j s SER 246 CO 0.08 -1.46 2.01 -0.37 0.98 0.00 0.00 173.24 174.48 1f4j h VAL 247 N 0.20 1.13 0.36 5.02 -1.51 -1.99 -1.04 116.25 118.42 1f4j h VAL 247 Ca -0.47 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 64.63 1f4j h VAL 247 Cb 1.24 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1f4j h VAL 247 CO 0.55 0.14 -0.17 -0.08 -1.23 0.00 0.00 177.57 176.78 1f4j h GLU 248 N 0.50 -0.46 -0.43 5.19 4.81 -2.00 -0.55 114.58 121.63 1f4j h GLU 248 Ca 0.13 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1f4j h GLU 248 Cb 0.05 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1f4j h GLU 248 CO -0.02 -0.29 0.17 -0.44 -0.73 0.00 0.00 179.01 177.71 1f4j h ASP 249 N -0.52 0.21 -0.48 1.04 3.32 -1.80 -1.51 116.42 116.69 1f4j h ASP 249 Ca -0.05 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1f4j h ASP 249 Cb 0.39 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1f4j h ASP 249 CO 0.08 0.16 0.07 0.00 -1.72 0.00 0.00 179.24 177.83 1f4j h ALA 250 N 1.27 0.51 -0.18 3.45 0.00 -1.03 0.13 119.26 123.42 1f4j h ALA 250 Ca 0.20 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1f4j h ALA 250 Cb 0.17 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f4j h ALA 250 CO -0.18 -0.33 0.10 0.00 0.00 0.00 0.00 179.25 178.83 1f4j h ALA 251 N 1.39 0.22 -0.70 0.00 0.00 -0.59 -0.79 119.26 118.78 1f4j h ALA 251 Ca 0.24 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1f4j h ALA 251 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1f4j h ALA 251 CO -0.34 -0.32 0.45 -0.09 0.00 0.00 0.00 179.25 178.95 1f4j h ARG 252 N 0.21 0.88 -0.24 0.00 2.43 -0.29 -2.55 114.38 114.82 1f4j h ARG 252 Ca 0.07 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1f4j h ARG 252 Cb -0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1f4j h ARG 252 CO -0.03 0.58 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.57 1f4j h LEU 253 N 0.90 0.56 -2.54 3.80 3.38 -0.55 0.40 115.31 121.26 1f4j h LEU 253 Ca 0.27 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1f4j h LEU 253 Cb -0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1f4j h LEU 253 CO -0.08 0.88 0.07 0.77 0.09 0.00 0.00 178.44 180.17 1f4j h SER 254 N 0.45 0.00 0.02 -0.43 4.64 -0.71 1.59 113.55 119.11 1f4j h SER 254 Ca 0.05 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.97 1f4j h SER 254 Cb 0.85 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 1f4j h SER 254 CO 0.07 0.00 -2.31 1.67 -0.87 0.00 0.00 176.83 175.39 1f4j n GLN 255 N -3.54 0.65 0.07 4.77 0.00 -0.96 -4.04 117.38 114.33 1f4j n GLN 255 Ca -0.02 0.23 -0.14 0.00 -0.00 0.00 0.00 57.00 57.07 1f4j n GLN 255 Cb 0.16 -1.57 -0.05 0.00 0.00 0.00 0.00 30.24 28.78 1f4j n GLN 255 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1f4j h GLU 256 N -0.28 0.43 -1.64 3.69 5.08 -0.40 -3.42 114.58 118.04 1f4j h GLU 256 Ca -0.56 -0.46 -0.30 0.00 -1.00 0.00 0.00 59.36 57.03 1f4j h GLU 256 Cb 1.82 0.13 -0.27 0.00 0.50 0.00 0.00 28.75 30.93 1f4j h GLU 256 CO -0.14 1.12 -0.65 0.34 -1.00 0.00 0.00 179.01 178.69 1f4j s ASP 257 N -7.10 0.17 0.64 1.42 3.68 0.54 -4.99 116.67 111.03 1f4j s ASP 257 Ca -0.06 -1.70 0.34 0.00 2.13 0.00 0.00 52.55 53.26 1f4j s ASP 257 Cb 0.09 0.94 1.89 0.00 -1.45 0.00 0.00 42.92 44.39 1f4j s ASP 257 CO 0.87 -0.19 2.12 -0.65 0.13 0.00 0.00 175.17 177.46 1f4j h PRO 258 N 6.40 0.00 -0.27 4.34 0.11 -1.69 -1.27 132.00 139.63 1f4j h PRO 258 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1f4j h PRO 258 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1f4j h PRO 258 CO 0.17 0.00 -0.00 -0.25 -0.21 0.00 0.00 178.00 177.70 1f4j n ASP 259 N -3.26 3.55 -0.32 -2.05 8.00 -1.26 0.51 116.55 121.72 1f4j n ASP 259 Ca -0.01 -3.16 0.14 0.00 0.71 0.00 0.00 54.79 52.47 1f4j n ASP 259 Cb 0.27 -0.56 0.28 0.00 -0.02 0.00 0.00 41.12 41.09 1f4j n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f4j n TYR 260 N -0.69 0.60 -0.03 1.24 4.19 -0.48 -0.58 117.16 121.41 1f4j n TYR 260 Ca 0.23 1.10 -0.11 0.00 3.31 0.00 0.00 57.90 62.44 1f4j n TYR 260 Cb 0.91 -1.20 -0.05 0.00 0.49 0.00 0.00 39.34 39.50 1f4j n TYR 260 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1f4j h GLY 261 N 0.00 0.22 0.94 2.98 0.00 -1.86 0.01 103.07 105.36 1f4j h GLY 261 Ca 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.80 1f4j h GLY 261 CO -0.85 0.10 0.30 -2.22 0.00 0.00 0.00 176.54 173.87 1f4j h ILE 262 N 0.13 1.08 -0.41 2.60 2.04 -1.19 -0.78 117.51 120.97 1f4j h ILE 262 Ca 0.05 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1f4j h ILE 262 Cb 0.09 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1f4j h ILE 262 CO -0.01 0.11 0.04 -0.09 0.00 0.00 0.00 178.15 178.21 1f4j h ARG 263 N 0.61 0.70 -0.65 2.37 2.43 -1.24 -1.00 114.38 117.60 1f4j h ARG 263 Ca 0.18 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1f4j h ARG 263 Cb -0.03 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1f4j h ARG 263 CO -0.06 0.76 0.24 0.22 -1.51 0.00 0.00 179.97 179.61 1f4j h ASP 264 N 0.55 0.92 -0.45 -3.80 1.82 -0.69 0.21 116.42 114.98 1f4j h ASP 264 Ca 0.12 -0.18 -0.06 0.00 -0.39 0.00 0.00 57.03 56.52 1f4j h ASP 264 Cb 0.41 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1f4j h ASP 264 CO 0.01 0.85 0.04 0.25 -1.61 0.00 0.00 179.24 178.78 1f4j h LEU 265 N 0.93 0.74 -0.30 2.28 5.85 -1.04 -2.46 115.31 121.31 1f4j h LEU 265 Ca 0.21 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1f4j h LEU 265 Cb 0.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1f4j h LEU 265 CO -0.01 0.84 -0.16 0.15 -0.34 0.00 0.00 178.44 178.92 1f4j h PHE 266 N 0.62 0.74 -0.19 1.25 3.04 -0.83 -2.69 116.94 118.88 1f4j h PHE 266 Ca 0.13 -0.19 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1f4j h PHE 266 Cb 0.44 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1f4j h PHE 266 CO 0.03 0.88 0.11 -0.91 -2.02 0.00 0.00 178.31 176.40 1f4j h ASN 267 N 0.40 0.24 0.00 0.41 2.35 -0.60 -0.64 115.58 117.73 1f4j h ASN 267 Ca 0.07 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1f4j h ASN 267 Cb 0.69 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1f4j h ASN 267 CO 0.05 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.08 1f4j n ALA 268 N -2.19 -0.14 -0.31 -0.83 0.00 -0.93 -0.43 120.51 115.69 1f4j n ALA 268 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1f4j n ALA 268 Cb 0.07 0.34 0.24 0.00 0.00 0.00 0.00 19.45 20.10 1f4j n ALA 268 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f4j h ILE 269 N 0.00 0.75 0.00 0.00 2.04 -1.46 0.41 117.51 119.25 1f4j h ILE 269 Ca 0.00 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1f4j h ILE 269 Cb 0.00 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1f4j h ILE 269 CO 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 178.15 178.15 1f4j h ALA 270 N 1.56 1.57 -0.54 1.87 0.00 -0.38 -1.68 119.26 121.66 1f4j h ALA 270 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f4j h ALA 270 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f4j h ALA 270 CO -0.35 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.31 1f4j n THR 271 N -4.06 1.61 -0.97 0.00 -2.24 0.43 -4.93 114.28 104.11 1f4j n THR 271 Ca -0.02 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1f4j n THR 271 Cb 0.21 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1f4j n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f4j n GLY 272 N 0.97 0.74 2.74 3.38 0.00 -0.63 -4.93 105.19 107.45 1f4j n GLY 272 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1f4j n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f4j n LYS 273 N -2.22 4.27 -1.72 1.61 5.02 -0.89 -4.98 118.16 119.25 1f4j n LYS 273 Ca 0.00 -3.80 -0.42 0.00 -2.02 0.00 0.00 58.31 52.06 1f4j n LYS 273 Cb 0.02 -2.71 -0.03 0.00 -0.02 0.00 0.00 35.03 32.29 1f4j n LYS 273 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1f4j s TYR 274 N -1.15 1.37 0.41 2.13 2.02 -1.26 -4.21 117.35 116.67 1f4j s TYR 274 Ca 0.42 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.65 1f4j s TYR 274 Cb 0.13 -4.17 -0.10 0.00 -0.40 0.00 0.00 41.96 37.42 1f4j s TYR 274 CO -0.02 -5.14 0.99 -1.25 -1.57 0.00 0.00 175.55 168.56 1f4j s PRO 275 N 4.62 4.19 0.14 -1.71 0.04 -1.22 -4.83 135.00 136.23 1f4j s PRO 275 Ca 0.87 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 1f4j s PRO 275 Cb -0.40 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1f4j s PRO 275 CO 0.39 -0.08 0.13 -1.54 0.04 0.00 0.00 177.00 175.94 1f4j s SER 276 N -1.89 0.22 0.02 6.66 1.04 -1.26 -1.47 113.70 117.02 1f4j s SER 276 Ca 0.60 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1f4j s SER 276 Cb -0.15 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1f4j s SER 276 CO 0.20 -0.78 -0.06 0.26 0.98 0.00 0.00 173.24 173.84 1f4j s TRP 277 N -4.01 0.50 -0.18 5.02 0.51 0.20 -0.84 118.94 120.14 1f4j s TRP 277 Ca 0.21 -0.38 -0.14 0.00 -2.12 0.00 0.00 56.10 53.67 1f4j s TRP 277 Cb 0.06 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.37 1f4j s TRP 277 CO 0.01 -0.08 0.32 0.99 -0.51 0.00 0.00 176.95 177.68 1f4j s THR 278 N -1.02 5.27 -0.20 2.01 2.01 -0.03 -0.31 115.64 123.37 1f4j s THR 278 Ca -0.08 0.59 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 1f4j s THR 278 Cb -0.08 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1f4j s THR 278 CO -0.00 0.33 0.47 0.12 -0.69 0.00 0.00 174.62 174.85 1f4j s PHE 279 N 0.84 3.37 0.41 4.92 2.19 0.30 -1.24 117.98 128.77 1f4j s PHE 279 Ca 0.17 0.71 0.03 0.00 0.33 0.00 0.00 56.93 58.17 1f4j s PHE 279 Cb -0.14 -2.61 -0.03 0.00 -1.31 0.00 0.00 43.02 38.93 1f4j s PHE 279 CO 0.06 -0.06 0.09 0.71 1.83 0.00 0.00 175.22 177.84 1f4j s TYR 280 N 1.49 1.87 0.02 10.12 1.51 0.78 0.50 117.35 133.64 1f4j s TYR 280 Ca 0.22 -1.13 -0.14 0.00 -1.01 0.00 0.00 57.07 55.01 1f4j s TYR 280 Cb -0.15 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1f4j s TYR 280 CO 0.09 -0.11 0.30 0.96 -1.11 0.00 0.00 175.55 175.68 1f4j s ILE 281 N -3.16 0.07 -0.04 2.71 -4.36 -0.53 -2.46 121.20 113.45 1f4j s ILE 281 Ca 0.24 -0.61 0.04 0.00 -0.26 0.00 0.00 60.65 60.06 1f4j s ILE 281 Cb 0.04 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 1f4j s ILE 281 CO 0.13 -0.34 -0.15 -1.10 0.24 0.00 0.00 174.94 173.72 1f4j s GLN 282 N -2.07 2.43 -0.04 0.37 -0.21 -0.54 -0.16 119.66 119.45 1f4j s GLN 282 Ca -0.08 -0.74 0.06 0.00 0.02 0.00 0.00 55.36 54.62 1f4j s GLN 282 Cb -0.03 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1f4j s GLN 282 CO -0.00 0.61 -0.23 0.08 -2.12 0.00 0.00 175.29 173.63 1f4j s VAL 283 N -0.74 2.32 -0.13 1.09 1.01 -1.26 -2.02 120.40 120.66 1f4j s VAL 283 Ca 0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1f4j s VAL 283 Cb -0.11 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1f4j s VAL 283 CO 0.01 0.58 -0.01 -0.32 0.00 0.00 0.00 175.10 175.36 1f4j s MET 284 N -0.53 0.93 1.01 2.72 0.00 -0.72 -4.89 119.30 117.83 1f4j s MET 284 Ca 0.07 -0.24 -0.12 0.00 0.00 0.00 0.00 55.69 55.40 1f4j s MET 284 Cb -0.11 -1.63 0.19 0.00 0.00 0.00 0.00 34.83 33.29 1f4j s MET 284 CO 0.00 -0.43 1.09 0.95 0.00 0.00 0.00 175.02 176.64 1f4j s THR 285 N 1.82 2.10 0.37 10.11 -4.23 -1.26 -1.13 115.64 123.42 1f4j s THR 285 Ca 0.02 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1f4j s THR 285 Cb -0.14 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.37 1f4j s THR 285 CO -0.07 -0.04 1.91 -0.26 -0.54 0.00 0.00 174.62 175.61 1f4j h PHE 286 N -1.93 0.39 -0.45 3.99 -1.00 -1.95 -0.35 116.94 115.64 1f4j h PHE 286 Ca -0.55 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.07 1f4j h PHE 286 Cb 1.33 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1f4j h PHE 286 CO 0.30 0.44 -0.22 -0.91 -1.61 0.00 0.00 178.31 176.30 1f4j h ASN 287 N 0.36 0.97 0.20 2.17 2.35 -1.98 -2.74 115.58 116.92 1f4j h ASN 287 Ca 0.08 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1f4j h ASN 287 Cb 0.33 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1f4j h ASN 287 CO 0.01 1.16 -0.26 1.56 -1.65 0.00 0.00 177.43 178.25 1f4j h GLN 288 N 0.78 0.11 -0.53 0.81 4.20 -1.75 -1.70 115.11 117.03 1f4j h GLN 288 Ca 0.10 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1f4j h GLN 288 Cb 0.80 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1f4j h GLN 288 CO 0.07 0.37 0.35 0.00 -0.67 0.00 0.00 178.83 178.95 1f4j h ALA 289 N 1.63 1.71 -0.12 3.87 0.00 -0.77 -0.10 119.26 125.48 1f4j h ALA 289 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1f4j h ALA 289 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f4j h ALA 289 CO 0.04 0.24 -0.69 0.93 0.00 0.00 0.00 179.25 179.76 1f4j h GLU 290 N 0.63 0.52 -0.17 0.00 5.08 -1.21 -3.25 114.58 116.19 1f4j h GLU 290 Ca 0.21 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1f4j h GLU 290 Cb 0.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1f4j h GLU 290 CO -0.05 1.03 0.00 0.25 -1.00 0.00 0.00 179.01 179.23 1f4j n THR 291 N -3.89 0.20 -1.89 1.13 -2.24 -0.60 -4.89 114.28 102.10 1f4j n THR 291 Ca -0.05 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1f4j n THR 291 Cb 0.69 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1f4j n THR 291 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1f4j s PHE 292 N -1.80 2.85 0.21 4.78 5.36 -0.15 -4.87 117.98 124.36 1f4j s PHE 292 Ca 0.34 0.97 -0.14 0.00 -0.96 0.00 0.00 56.93 57.14 1f4j s PHE 292 Cb 0.19 -3.94 0.23 0.00 -0.34 0.00 0.00 43.02 39.16 1f4j s PHE 292 CO 0.29 -3.05 1.61 -1.35 -1.46 0.00 0.00 175.22 171.26 1f4j h PRO 293 N 4.56 -0.03 0.00 10.12 0.11 -1.91 -3.44 132.00 141.41 1f4j h PRO 293 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1f4j h PRO 293 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1f4j h PRO 293 CO 0.76 -0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.72 1f4j n PHE 294 N -5.45 -1.99 -2.36 0.65 3.72 -1.26 -5.05 117.46 105.72 1f4j n PHE 294 Ca 0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 1f4j n PHE 294 Cb 0.35 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1f4j n PHE 294 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1f4j s ASN 295 N -0.96 6.53 0.65 4.37 2.47 -1.26 -4.87 114.94 121.88 1f4j s ASN 295 Ca 0.00 1.13 0.41 0.00 0.42 0.00 0.00 52.86 54.83 1f4j s ASN 295 Cb 0.00 -2.54 2.30 0.00 -1.45 0.00 0.00 41.25 39.56 1f4j s ASN 295 CO 0.00 -1.21 2.34 1.55 -3.72 0.00 0.00 177.10 176.06 1f4j h PRO 296 N 9.92 0.00 -0.54 0.43 0.13 -1.90 -1.31 132.00 138.73 1f4j h PRO 296 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1f4j h PRO 296 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1f4j h PRO 296 CO 1.05 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.01 1f4j n PHE 297 N -3.24 0.71 -2.61 1.56 3.72 -1.26 -4.77 117.46 111.57 1f4j n PHE 297 Ca -0.03 -0.36 -0.43 0.00 -0.05 0.00 0.00 57.45 56.59 1f4j n PHE 297 Cb 0.08 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 1f4j n PHE 297 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1f4j s ASP 298 N -1.29 6.78 0.01 4.37 2.15 -0.49 -4.54 116.67 123.66 1f4j s ASP 298 Ca 0.43 0.81 0.06 0.00 0.43 0.00 0.00 52.55 54.27 1f4j s ASP 298 Cb 0.24 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.56 1f4j s ASP 298 CO 0.33 -1.06 1.18 -0.11 -0.17 0.00 0.00 175.17 175.33 1f4j n LEU 299 N 7.36 0.03 -1.05 -1.34 7.94 -1.26 -1.34 117.00 127.34 1f4j n LEU 299 Ca 0.12 0.51 0.07 0.00 -1.11 0.00 0.00 56.01 55.60 1f4j n LEU 299 Cb 0.48 -0.51 0.23 0.00 0.53 0.00 0.00 43.42 44.14 1f4j n LEU 299 CO 0.65 -0.44 0.67 0.35 -1.11 0.00 0.00 177.39 177.51 1f4j n THR 300 N -1.53 1.01 -4.27 1.96 -2.24 -1.26 -1.68 114.28 106.26 1f4j n THR 300 Ca 0.01 -0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 60.87 1f4j n THR 300 Cb 0.06 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 1f4j n THR 300 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1f4j s LYS 301 N -1.62 1.10 0.34 -0.78 1.02 -0.45 -4.89 119.74 114.47 1f4j s LYS 301 Ca 0.33 -1.27 0.09 0.00 0.02 0.00 0.00 55.97 55.14 1f4j s LYS 301 Cb 0.20 -1.09 -0.05 0.00 -0.52 0.00 0.00 37.83 36.36 1f4j s LYS 301 CO 0.18 0.22 0.04 0.14 -0.92 0.00 0.00 175.35 175.01 1f4j s VAL 302 N -1.95 2.68 -0.44 3.17 -7.23 -1.26 -4.79 120.40 110.57 1f4j s VAL 302 Ca 0.10 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 1f4j s VAL 302 Cb -0.06 -2.84 0.06 0.00 0.56 0.00 0.00 36.38 34.10 1f4j s VAL 302 CO 0.04 -0.19 0.33 0.26 -0.31 0.00 0.00 175.10 175.23 1f4j s TRP 303 N -2.51 3.27 0.11 2.82 0.51 -1.26 -5.04 118.94 116.84 1f4j s TRP 303 Ca 0.36 -1.05 -0.35 0.00 -2.12 0.00 0.00 56.10 52.93 1f4j s TRP 303 Cb -0.00 -2.96 -0.15 0.00 -0.81 0.00 0.00 33.47 29.55 1f4j s TRP 303 CO 0.20 -0.77 1.51 -2.30 -0.51 0.00 0.00 176.95 175.08 1f4j n PRO 304 N 5.10 1.76 -0.14 4.98 -0.02 -1.26 -4.75 135.00 140.67 1f4j n PRO 304 Ca -0.12 0.64 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1f4j n PRO 304 Cb 0.44 -2.36 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1f4j n PRO 304 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1f4j h HIS 305 N 5.58 0.12 -1.86 6.00 3.86 -1.97 0.63 115.15 127.51 1f4j h HIS 305 Ca -0.46 0.03 0.54 0.00 -1.16 0.00 0.00 60.37 59.32 1f4j h HIS 305 Cb 1.29 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.69 1f4j h HIS 305 CO 0.63 -0.01 1.38 1.63 0.86 0.00 0.00 177.93 182.42 1f4j n LYS 306 N -5.12 0.00 -0.03 2.45 4.01 -1.26 -0.55 118.16 117.67 1f4j n LYS 306 Ca 0.04 1.05 -0.02 0.00 -0.51 0.00 0.00 58.31 58.87 1f4j n LYS 306 Cb 0.21 -2.45 -0.06 0.00 -0.51 0.00 0.00 35.03 32.22 1f4j n LYS 306 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1f4j n ASP 307 N -3.82 3.08 -3.65 4.39 8.00 -0.37 -4.84 116.55 119.34 1f4j n ASP 307 Ca 0.42 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.64 1f4j n ASP 307 Cb 1.94 0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 43.74 1f4j n ASP 307 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f4j s TYR 308 N -2.26 2.17 0.54 1.24 2.02 0.29 -5.06 117.35 116.30 1f4j s TYR 308 Ca -0.04 -2.69 -0.20 0.00 -0.37 0.00 0.00 57.07 53.77 1f4j s TYR 308 Cb 0.03 -1.79 -0.07 0.00 -0.40 0.00 0.00 41.96 39.73 1f4j s TYR 308 CO 0.32 -0.72 0.99 -2.30 -1.57 0.00 0.00 175.55 172.28 1f4j n PRO 309 N 2.75 1.09 -2.55 -1.71 -0.02 -0.90 -4.30 135.00 129.36 1f4j n PRO 309 Ca 0.20 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 1f4j n PRO 309 Cb 0.40 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1f4j n PRO 309 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f4j s LEU 310 N -1.59 4.48 -0.26 2.45 1.43 -1.26 -4.47 118.68 119.45 1f4j s LEU 310 Ca 0.71 2.01 -0.05 0.00 -1.03 0.00 0.00 54.13 55.78 1f4j s LEU 310 Cb -0.46 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.17 1f4j s LEU 310 CO 0.51 -0.21 0.02 -0.63 0.23 0.00 0.00 176.35 176.27 1f4j s ILE 311 N -0.05 3.64 0.32 -0.59 -1.09 0.77 -4.90 121.20 119.30 1f4j s ILE 311 Ca 0.50 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.96 1f4j s ILE 311 Cb -0.28 -2.81 -0.11 0.00 -1.58 0.00 0.00 42.46 37.68 1f4j s ILE 311 CO 0.33 0.20 1.43 -2.16 -1.23 0.00 0.00 174.94 173.52 1f4j s PRO 312 N 1.47 4.23 0.00 2.79 0.04 -1.26 -1.45 135.00 140.82 1f4j s PRO 312 Ca 0.03 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1f4j s PRO 312 Cb -0.16 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1f4j s PRO 312 CO -0.00 -0.41 0.00 0.28 0.04 0.00 0.00 177.00 176.91 1f4j n VAL 313 N 1.32 0.00 -1.87 -0.36 0.31 0.18 -4.52 118.33 113.39 1f4j n VAL 313 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1f4j n VAL 313 Cb 0.40 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1f4j n VAL 313 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f4j n GLY 314 N 3.07 1.77 3.05 2.92 0.00 -0.92 -0.85 105.19 114.22 1f4j n GLY 314 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1f4j n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4j s LYS 315 N 1.76 0.48 -0.11 1.61 1.02 -0.03 -0.54 119.74 123.93 1f4j s LYS 315 Ca 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.17 1f4j s LYS 315 Cb 0.00 0.17 -0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1f4j s LYS 315 CO 0.00 -0.09 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.61 1f4j s LEU 316 N -2.12 2.20 -0.06 3.17 1.43 0.58 -1.38 118.68 122.51 1f4j s LEU 316 Ca -0.06 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1f4j s LEU 316 Cb -0.02 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1f4j s LEU 316 CO -0.05 0.16 -0.06 -0.69 0.23 0.00 0.00 176.35 175.94 1f4j s VAL 317 N 0.37 0.69 -0.30 -1.59 1.01 -0.23 -0.63 120.40 119.73 1f4j s VAL 317 Ca -0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1f4j s VAL 317 Cb -0.18 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1f4j s VAL 317 CO 0.08 0.27 0.07 -0.76 0.00 0.00 0.00 175.10 174.75 1f4j s LEU 318 N 1.02 3.88 0.00 3.92 1.43 -0.54 -0.96 118.68 127.43 1f4j s LEU 318 Ca -0.09 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1f4j s LEU 318 Cb -0.14 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1f4j s LEU 318 CO -0.00 -0.22 0.53 -0.46 0.23 0.00 0.00 176.35 176.43 1f4j n ASN 319 N 4.82 0.93 -3.77 2.29 2.04 0.79 -3.44 115.26 118.92 1f4j n ASN 319 Ca -0.14 -1.27 -0.22 0.00 -0.44 0.00 0.00 54.58 52.50 1f4j n ASN 319 Cb 0.47 0.00 -0.17 0.00 -2.53 0.00 0.00 39.78 37.54 1f4j n ASN 319 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1f4j s ARG 320 N -0.27 0.53 0.67 -3.83 3.52 -0.14 -4.94 118.95 114.47 1f4j s ARG 320 Ca 0.00 0.13 -0.12 0.00 -0.13 0.00 0.00 55.73 55.61 1f4j s ARG 320 Cb 0.00 -0.89 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 1f4j s ARG 320 CO 0.00 -0.29 1.06 -0.80 -0.81 0.00 0.00 175.30 174.46 1f4j s ASN 321 N 1.91 5.49 0.52 -2.12 0.02 -1.26 0.34 114.94 119.84 1f4j s ASN 321 Ca 0.04 1.68 -0.20 0.00 -1.02 0.00 0.00 52.86 53.36 1f4j s ASN 321 Cb -0.12 -2.51 -0.07 0.00 0.02 0.00 0.00 41.25 38.57 1f4j s ASN 321 CO -0.05 -1.37 1.08 -2.16 0.02 0.00 0.00 177.10 174.63 1f4j s PRO 322 N -4.75 3.57 -0.10 -0.60 0.04 -1.26 -4.82 135.00 127.09 1f4j s PRO 322 Ca 0.60 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 1f4j s PRO 322 Cb -0.15 -2.05 -0.27 0.00 0.04 0.00 0.00 34.50 32.07 1f4j s PRO 322 CO 0.49 -0.64 0.62 0.28 0.04 0.00 0.00 177.00 177.79 1f4j h VAL 323 N 1.35 1.19 -3.28 -0.36 2.07 -1.99 -3.44 116.25 111.79 1f4j h VAL 323 Ca -0.50 -2.41 -0.57 0.00 0.82 0.00 0.00 66.70 64.05 1f4j h VAL 323 Cb 1.24 2.84 -0.37 0.00 -1.52 0.00 0.00 31.29 33.48 1f4j h VAL 323 CO 0.58 0.67 -0.80 0.21 0.02 0.00 0.00 177.57 178.24 1f4j s ASN 324 N -6.94 2.77 0.18 0.57 3.84 -1.26 -5.05 114.94 109.06 1f4j s ASN 324 Ca -0.19 -0.60 -0.13 0.00 0.21 0.00 0.00 52.86 52.15 1f4j s ASN 324 Cb 0.03 -1.00 0.09 0.00 -0.55 0.00 0.00 41.25 39.82 1f4j s ASN 324 CO 0.76 -0.14 1.85 0.22 -2.79 0.00 0.00 177.10 177.00 1f4j h TYR 325 N 8.09 0.74 -0.72 0.43 3.20 -1.96 -1.18 116.97 125.57 1f4j h TYR 325 Ca -0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 1f4j h TYR 325 Cb 1.12 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1f4j h TYR 325 CO 0.47 0.47 0.39 0.35 -1.64 0.00 0.00 178.16 178.20 1f4j h PHE 326 N 0.80 0.99 -0.15 -3.82 3.57 -1.96 0.43 116.94 116.80 1f4j h PHE 326 Ca 0.22 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.54 1f4j h PHE 326 Cb -0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.34 1f4j h PHE 326 CO -0.03 0.70 -0.49 0.00 -2.23 0.00 0.00 178.31 176.26 1f4j h ALA 327 N 1.20 0.27 0.00 2.41 0.00 -1.94 -2.31 119.26 118.88 1f4j h ALA 327 Ca 0.25 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1f4j h ALA 327 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1f4j h ALA 327 CO -0.04 0.44 -1.11 0.39 0.00 0.00 0.00 179.25 178.93 1f4j n GLU 328 N -4.20 0.13 0.04 0.00 1.02 -0.46 -4.40 120.64 112.77 1f4j n GLU 328 Ca -0.07 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1f4j n GLU 328 Cb 0.59 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1f4j n GLU 328 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1f4j n VAL 329 N -1.66 0.90 -0.32 2.62 0.31 0.14 -4.46 118.33 115.86 1f4j n VAL 329 Ca 0.03 0.30 -0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1f4j n VAL 329 Cb 0.38 -1.50 0.10 0.00 -0.91 0.00 0.00 33.84 31.91 1f4j n VAL 329 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1f4j h GLU 330 N 0.00 1.10 -0.00 5.55 4.57 -1.39 -2.75 114.58 121.66 1f4j h GLU 330 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1f4j h GLU 330 Cb 0.21 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1f4j h GLU 330 CO 0.00 0.73 -0.12 1.04 -1.18 0.00 0.00 179.01 179.48 1f4j n GLN 331 N -4.51 0.10 -2.22 1.92 6.02 -0.87 -4.89 117.38 112.92 1f4j n GLN 331 Ca 0.10 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.71 1f4j n GLN 331 Cb 0.05 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1f4j n GLN 331 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1f4j s ILE 332 N -2.92 3.06 -0.04 5.09 2.07 -1.04 -4.90 121.20 122.52 1f4j s ILE 332 Ca 0.16 0.73 0.00 0.00 -1.41 0.00 0.00 60.65 60.13 1f4j s ILE 332 Cb 0.19 -3.34 0.02 0.00 0.13 0.00 0.00 42.46 39.47 1f4j s ILE 332 CO 0.56 -0.07 -0.02 0.00 -1.91 0.00 0.00 174.94 173.49 1f4j s ALA 333 N -1.63 0.51 -0.15 1.50 0.00 -1.26 -5.02 121.76 115.72 1f4j s ALA 333 Ca 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1f4j s ALA 333 Cb -0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1f4j s ALA 333 CO 0.32 -0.10 -0.09 -0.06 0.00 0.00 0.00 175.76 175.83 1f4j s PHE 334 N 1.11 2.90 -0.25 0.00 0.40 -1.26 -4.95 117.98 115.94 1f4j s PHE 334 Ca -0.08 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1f4j s PHE 334 Cb -0.14 -1.92 0.04 0.00 0.51 0.00 0.00 43.02 41.51 1f4j s PHE 334 CO -0.01 -0.21 -0.10 -0.51 0.70 0.00 0.00 175.22 175.08 1f4j s ASP 335 N 0.55 4.21 0.56 1.36 1.01 -1.26 -4.87 116.67 118.22 1f4j s ASP 335 Ca -0.06 -1.09 0.30 0.00 0.71 0.00 0.00 52.55 52.41 1f4j s ASP 335 Cb -0.15 -1.59 1.46 0.00 1.01 0.00 0.00 42.92 43.65 1f4j s ASP 335 CO 0.03 -0.14 1.89 -0.65 0.21 0.00 0.00 175.17 176.51 1f4j h PRO 336 N 7.90 0.00 0.00 8.23 0.11 -1.83 0.33 132.00 146.75 1f4j h PRO 336 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1f4j h PRO 336 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1f4j h PRO 336 CO 0.54 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.20 1f4j n SER 337 N -4.06 0.58 -4.57 -2.05 3.41 -1.26 -4.35 113.62 101.33 1f4j n SER 337 Ca 0.14 0.66 -0.37 0.00 -0.26 0.00 0.00 58.87 59.04 1f4j n SER 337 Cb 0.84 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1f4j n SER 337 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1f4j s ASN 338 N -4.08 6.18 -0.08 4.04 0.01 0.12 -4.91 114.94 116.21 1f4j s ASN 338 Ca 0.03 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.53 1f4j s ASN 338 Cb 0.09 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.20 1f4j s ASN 338 CO 0.35 -1.83 -0.07 -0.04 -1.51 0.00 0.00 177.10 174.00 1f4j s MET 339 N 5.29 1.28 0.59 -0.60 -1.94 -1.26 -0.99 119.30 121.68 1f4j s MET 339 Ca 0.56 -0.20 -0.13 0.00 -1.71 0.00 0.00 55.69 54.21 1f4j s MET 339 Cb 0.00 -1.31 -0.05 0.00 2.01 0.00 0.00 34.83 35.48 1f4j s MET 339 CO 0.00 -0.18 1.02 -1.25 -0.01 0.00 0.00 175.02 174.60 1f4j s PRO 340 N 1.41 3.63 0.12 2.03 0.04 -1.26 -4.89 135.00 136.08 1f4j s PRO 340 Ca -0.02 0.86 -0.34 0.00 0.04 0.00 0.00 61.00 61.54 1f4j s PRO 340 Cb -0.13 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 1f4j s PRO 340 CO -0.04 -0.54 1.00 -2.30 0.04 0.00 0.00 177.00 175.16 1f4j n PRO 341 N -2.38 0.57 0.00 0.56 -0.02 -1.26 -1.83 135.00 130.64 1f4j n PRO 341 Ca 0.06 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1f4j n PRO 341 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1f4j n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f4j n GLY 342 N 1.87 1.37 3.08 -1.23 0.00 -1.26 -3.49 105.19 105.54 1f4j n GLY 342 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1f4j n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f4j s ILE 343 N -1.72 1.78 0.32 -0.61 1.01 -0.76 -0.24 121.20 120.99 1f4j s ILE 343 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1f4j s ILE 343 Cb 0.00 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1f4j s ILE 343 CO 0.00 0.49 0.11 -1.61 0.00 0.00 0.00 174.94 173.94 1f4j s GLU 344 N 1.24 1.65 0.44 2.79 2.02 0.17 -4.37 118.70 122.64 1f4j s GLU 344 Ca 0.01 -1.94 -0.09 0.00 0.02 0.00 0.00 54.97 52.97 1f4j s GLU 344 Cb -0.14 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.58 1f4j s GLU 344 CO -0.09 -0.35 0.79 0.00 0.02 0.00 0.00 175.26 175.63 1f4j s ALA 345 N -3.46 3.34 0.46 5.21 0.00 -1.26 -0.86 121.76 125.18 1f4j s ALA 345 Ca 0.33 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1f4j s ALA 345 Cb 0.06 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1f4j s ALA 345 CO 0.15 -0.14 0.57 -1.54 0.00 0.00 0.00 175.76 174.81 1f4j s SER 346 N -3.44 5.38 0.00 0.00 1.04 -1.25 -4.46 113.70 110.97 1f4j s SER 346 Ca 0.51 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1f4j s SER 346 Cb -0.10 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1f4j s SER 346 CO 0.36 -0.88 0.58 -2.65 0.98 0.00 0.00 173.24 171.63 1f4j n PRO 347 N -1.87 0.74 -1.67 4.02 -0.02 -1.26 -4.70 135.00 130.23 1f4j n PRO 347 Ca 0.08 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.13 1f4j n PRO 347 Cb 0.60 -1.16 -0.04 0.00 -0.02 0.00 0.00 33.50 32.89 1f4j n PRO 347 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1f4j n ASP 348 N -0.23 3.92 -0.21 2.55 -0.08 -1.26 -4.86 116.55 116.38 1f4j n ASP 348 Ca 0.00 0.95 0.01 0.00 -1.51 0.00 0.00 54.79 54.24 1f4j n ASP 348 Cb 0.08 -1.49 0.12 0.00 2.34 0.00 0.00 41.12 42.16 1f4j n ASP 348 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1f4j h LYS 349 N 9.53 0.34 0.48 -0.67 1.57 -1.82 -0.17 116.57 125.82 1f4j h LYS 349 Ca -0.48 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1f4j h LYS 349 Cb 1.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1f4j h LYS 349 CO 0.94 0.22 -0.33 0.52 -0.57 0.00 0.00 179.45 180.23 1f4j h MET 350 N 0.35 -0.76 -0.82 3.15 2.86 -1.89 -0.95 114.93 116.87 1f4j h MET 350 Ca 0.32 0.05 0.07 0.00 -2.06 0.00 0.00 59.70 58.08 1f4j h MET 350 Cb 0.44 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 1f4j h MET 350 CO -0.36 -0.51 0.49 1.25 1.06 0.00 0.00 176.91 178.85 1f4j h LEU 351 N -0.79 0.75 -1.20 1.22 5.85 -1.87 -0.34 115.31 118.94 1f4j h LEU 351 Ca -0.05 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1f4j h LEU 351 Cb 0.66 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1f4j h LEU 351 CO 0.03 0.47 0.58 1.56 -0.34 0.00 0.00 178.44 180.74 1f4j h GLN 352 N 0.88 0.82 -0.13 1.25 1.08 -0.55 -0.63 115.11 117.83 1f4j h GLN 352 Ca 0.37 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.34 1f4j h GLN 352 Cb 0.22 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1f4j h GLN 352 CO -0.19 0.54 -0.67 0.78 -0.95 0.00 0.00 178.83 178.34 1f4j h GLY 353 N 0.85 0.58 2.00 3.46 0.00 0.28 -2.80 103.07 107.43 1f4j h GLY 353 Ca 0.43 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1f4j h GLY 353 CO -0.20 0.68 -0.11 3.21 0.00 0.00 0.00 176.54 180.13 1f4j h ARG 354 N 0.38 0.00 -0.11 4.80 3.08 -0.10 -2.31 114.38 120.12 1f4j h ARG 354 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1f4j h ARG 354 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1f4j h ARG 354 CO 0.12 0.11 0.13 -0.07 -1.07 0.00 0.00 179.97 179.19 1f4j h LEU 355 N 0.00 0.00 0.00 3.04 3.38 -0.89 -3.10 115.31 117.75 1f4j h LEU 355 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1f4j h LEU 355 Cb 0.54 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1f4j h LEU 355 CO 0.01 0.00 -2.46 0.33 0.09 0.00 0.00 178.44 176.41 1f4j n PHE 356 N -3.76 0.00 -0.22 1.13 7.35 -0.90 -4.64 117.46 116.42 1f4j n PHE 356 Ca -0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.71 1f4j n PHE 356 Cb 0.24 -0.95 0.13 0.00 0.35 0.00 0.00 39.48 39.24 1f4j n PHE 356 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1f4j h ALA 357 N -0.66 0.71 0.64 3.13 0.00 -1.39 -2.97 119.26 118.73 1f4j h ALA 357 Ca -0.64 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1f4j h ALA 357 Cb 1.67 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.78 1f4j h ALA 357 CO -0.31 -0.38 -0.31 1.88 0.00 0.00 0.00 179.25 180.13 1f4j h TYR 358 N 0.16 -0.80 -0.42 0.00 -1.99 -1.83 0.23 116.97 112.31 1f4j h TYR 358 Ca 0.36 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 1f4j h TYR 358 Cb 0.59 0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 1f4j h TYR 358 CO -0.34 -0.46 0.25 -1.00 -0.00 0.00 0.00 178.16 176.61 1f4j h PRO 359 N -1.09 0.56 0.59 4.88 0.13 -1.85 0.19 132.00 135.41 1f4j h PRO 359 Ca -0.09 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1f4j h PRO 359 Cb 0.71 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1f4j h PRO 359 CO 0.15 0.40 -0.36 0.22 -0.23 0.00 0.00 178.00 178.17 1f4j h ASP 360 N 0.57 -0.91 0.22 1.44 3.58 -1.39 0.74 116.42 120.68 1f4j h ASP 360 Ca 0.15 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 1f4j h ASP 360 Cb -0.02 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1f4j h ASP 360 CO -0.03 -0.57 -0.22 0.00 -2.88 0.00 0.00 179.24 175.54 1f4j h THR 361 N -0.90 1.16 -0.14 2.25 1.03 -0.16 -2.36 112.91 113.79 1f4j h THR 361 Ca -0.07 -0.76 -0.12 0.00 -0.01 0.00 0.00 66.41 65.45 1f4j h THR 361 Cb 0.73 1.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 1f4j h THR 361 CO 0.08 0.22 -0.44 0.45 -0.01 0.00 0.00 175.52 175.81 1f4j h HIS 362 N 0.00 0.39 0.00 0.00 3.86 -0.10 0.30 115.15 119.59 1f4j h HIS 362 Ca -0.00 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1f4j h HIS 362 Cb 0.39 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1f4j h HIS 362 CO 0.00 0.71 -0.05 0.00 0.86 0.00 0.00 177.93 179.45 1f4j h ARG 363 N 0.27 0.00 0.00 2.45 3.08 -0.33 -0.49 114.38 119.36 1f4j h ARG 363 Ca 0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1f4j h ARG 363 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1f4j h ARG 363 CO 0.07 0.05 -0.45 1.25 -1.07 0.00 0.00 179.97 179.83 1f4j h HIS 364 N 0.00 0.00 -0.14 3.04 2.76 -1.00 -3.10 115.15 116.71 1f4j h HIS 364 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1f4j h HIS 364 Cb 0.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1f4j h HIS 364 CO 0.00 0.32 0.08 -0.09 -1.30 0.00 0.00 177.93 176.94 1f4j h ARG 365 N -1.00 0.19 0.01 5.26 2.43 -0.46 -3.37 114.38 117.45 1f4j h ARG 365 Ca -0.06 -0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.73 1f4j h ARG 365 Cb 0.54 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1f4j h ARG 365 CO -0.03 0.21 -1.97 1.28 -1.51 0.00 0.00 179.97 177.94 1f4j n LEU 366 N -4.94 2.04 0.00 3.80 4.77 -0.23 -4.45 117.00 117.99 1f4j n LEU 366 Ca -0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1f4j n LEU 366 Cb 0.07 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1f4j n LEU 366 CO 0.34 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1f4j n GLY 367 N 1.45 4.24 0.31 -0.72 0.00 -0.96 -4.83 105.19 104.68 1f4j n GLY 367 Ca -0.43 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.21 1f4j n GLY 367 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1f4j h PRO 368 N 0.00 0.17 -0.98 1.61 0.11 -1.85 -1.75 132.00 129.33 1f4j h PRO 368 Ca 0.00 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.44 1f4j h PRO 368 Cb 0.00 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 30.77 1f4j h PRO 368 CO 0.00 0.11 0.73 0.09 -0.21 0.00 0.00 178.00 178.73 1f4j n ASN 369 N -5.25 7.22 0.32 -2.05 3.02 -1.26 -4.70 115.26 112.56 1f4j n ASN 369 Ca 0.23 -3.78 0.21 0.00 -0.03 0.00 0.00 54.58 51.21 1f4j n ASN 369 Cb 0.75 -0.92 1.11 0.00 -0.61 0.00 0.00 39.78 40.11 1f4j n ASN 369 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1f4j h TYR 370 N 1.94 0.00 0.00 3.10 -0.00 -1.64 -1.47 116.97 118.90 1f4j h TYR 370 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.32 1f4j h TYR 370 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.73 1f4j h TYR 370 CO 1.40 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.84 1f4j n LEU 371 N -2.96 0.00 0.04 0.10 4.77 -1.26 -2.56 117.00 115.13 1f4j n LEU 371 Ca -0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1f4j n LEU 371 Cb 0.10 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1f4j n LEU 371 CO 0.18 -0.00 -0.31 1.41 -1.33 0.00 0.00 177.39 177.34 1f4j n HIS 372 N -1.00 0.38 -1.70 -1.77 8.25 -0.55 -3.21 115.22 115.61 1f4j n HIS 372 Ca 0.22 0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 57.35 1f4j n HIS 372 Cb 0.10 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.56 1f4j n HIS 372 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1f4j n ILE 373 N -2.31 0.05 -0.24 1.59 5.41 -1.06 -4.70 119.36 118.10 1f4j n ILE 373 Ca -0.01 -0.01 -0.06 0.00 1.00 0.00 0.00 62.75 63.67 1f4j n ILE 373 Cb 0.53 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 1f4j n ILE 373 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1f4j n PRO 374 N 4.01 -0.25 0.14 0.38 -0.02 -1.26 -0.88 135.00 137.11 1f4j n PRO 374 Ca 0.17 1.16 0.19 0.00 -2.02 0.00 0.00 63.50 63.00 1f4j n PRO 374 Cb 0.33 -1.71 0.73 0.00 -0.02 0.00 0.00 33.50 32.83 1f4j n PRO 374 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1f4j h VAL 375 N 0.00 0.25 0.00 -1.45 -1.51 -1.90 -0.99 116.25 110.65 1f4j h VAL 375 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 1f4j h VAL 375 Cb 0.24 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1f4j h VAL 375 CO -0.54 0.00 -1.38 0.59 -1.23 0.00 0.00 177.57 175.00 1f4j n ASN 376 N -3.46 0.47 -4.74 4.19 3.02 -0.06 -4.92 115.26 109.75 1f4j n ASN 376 Ca 0.06 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1f4j n ASN 376 Cb 0.62 1.16 -0.02 0.00 -0.61 0.00 0.00 39.78 40.93 1f4j n ASN 376 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4j n PRO 378 N 2.92 3.16 0.00 0.00 -0.04 -1.26 -4.80 135.00 134.98 1f4j n PRO 378 Ca 0.10 -3.14 0.06 0.00 -0.04 0.00 0.00 63.50 60.47 1f4j n PRO 378 Cb 0.39 -3.26 0.27 0.00 -0.04 0.00 0.00 33.50 30.86 1f4j n PRO 378 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1f4j n TYR 379 N 6.40 0.00 1.01 0.54 0.18 -1.26 -1.76 117.16 122.27 1f4j n TYR 379 Ca 0.47 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.36 1f4j n TYR 379 Cb 0.41 -0.48 0.00 0.00 -0.38 0.00 0.00 39.34 38.90 1f4j n TYR 379 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1f4j n ARG 380 N -1.48 1.15 -3.54 -3.48 5.12 -1.26 -4.93 116.66 108.24 1f4j n ARG 380 Ca 0.03 -0.95 -0.21 0.00 -1.93 0.00 0.00 57.85 54.80 1f4j n ARG 380 Cb 0.14 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.93 1f4j n ARG 380 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1f4j s ALA 381 N -2.50 4.10 -0.56 7.54 0.00 -0.72 -4.24 121.76 125.38 1f4j s ALA 381 Ca 0.18 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1f4j s ALA 381 Cb 0.18 -1.04 0.14 0.00 0.00 0.00 0.00 23.12 22.40 1f4j s ALA 381 CO 0.58 -0.24 0.34 0.50 0.00 0.00 0.00 175.76 176.94 1f4j s ARG 382 N -4.15 2.26 0.23 0.00 6.06 -1.26 -4.98 118.95 117.11 1f4j s ARG 382 Ca 0.48 -2.51 -0.30 0.00 -2.50 0.00 0.00 55.73 50.90 1f4j s ARG 382 Cb -0.03 -3.54 -0.09 0.00 0.06 0.00 0.00 34.95 31.35 1f4j s ARG 382 CO 0.28 -1.13 1.32 0.08 -2.50 0.00 0.00 175.30 173.35 1f4j s VAL 383 N -0.07 3.07 -0.30 7.11 1.01 -1.26 -5.00 120.40 124.96 1f4j s VAL 383 Ca 0.16 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 62.98 1f4j s VAL 383 Cb -0.23 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1f4j s VAL 383 CO -0.02 0.15 0.70 0.00 0.00 0.00 0.00 175.10 175.93 1f4j s ALA 384 N -0.13 -2.29 0.00 5.51 0.00 -1.26 -5.15 121.76 118.44 1f4j s ALA 384 Ca 0.55 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.61 1f4j s ALA 384 Cb -0.38 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1f4j s ALA 384 CO 0.41 -1.09 0.00 0.27 0.00 0.00 0.00 175.76 175.35 1f4j n ASN 385 N 5.38 0.00 -1.12 0.00 0.23 -1.26 -4.92 115.26 113.58 1f4j n ASN 385 Ca -0.08 -0.62 0.08 0.00 -0.53 0.00 0.00 54.58 53.43 1f4j n ASN 385 Cb 0.50 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.48 1f4j n ASN 385 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1f4j n TYR 386 N 0.00 1.13 -2.85 -2.53 4.02 -1.26 -4.96 117.16 110.71 1f4j n TYR 386 Ca 0.00 -0.75 -0.39 0.00 -0.01 0.00 0.00 57.90 56.75 1f4j n TYR 386 Cb 0.00 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 38.97 1f4j n TYR 386 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1f4j s GLN 387 N -2.37 4.64 0.15 -0.72 -0.21 -1.26 -4.87 119.66 115.02 1f4j s GLN 387 Ca 0.42 1.30 -0.08 0.00 0.02 0.00 0.00 55.36 57.02 1f4j s GLN 387 Cb 0.32 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1f4j s GLN 387 CO 0.13 0.45 0.24 1.03 -2.12 0.00 0.00 175.29 175.02 1f4j s ARG 388 N -1.52 1.07 4.20 2.91 1.81 -1.26 -4.94 118.95 121.22 1f4j s ARG 388 Ca 0.43 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1f4j s ARG 388 Cb -0.22 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.63 1f4j s ARG 388 CO 0.27 -0.37 0.00 -0.25 -0.68 0.00 0.00 175.30 174.27 1f4j n ASP 389 N -0.17 0.00 0.00 0.23 10.43 -1.26 -5.05 116.55 120.72 1f4j n ASP 389 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 1f4j n ASP 389 Cb 0.63 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.59 1f4j n ASP 389 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f4j n GLY 390 N 0.00 0.73 3.76 0.44 0.00 -1.26 -4.76 105.19 104.10 1f4j n GLY 390 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1f4j n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f4j s PRO 391 N -3.59 4.17 -0.98 1.61 0.04 -1.26 -3.35 135.00 131.65 1f4j s PRO 391 Ca 0.00 2.48 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 1f4j s PRO 391 Cb 0.00 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 1f4j s PRO 391 CO 0.00 -0.50 0.82 -1.33 0.04 0.00 0.00 177.00 176.03 1f4j n MET 392 N 1.37 -5.36 -2.30 4.56 2.81 -1.26 -4.24 117.12 112.70 1f4j n MET 392 Ca 0.04 0.69 -0.42 0.00 -1.81 0.00 0.00 57.70 56.20 1f4j n MET 392 Cb 0.39 -5.25 -0.03 0.00 -0.71 0.00 0.00 33.22 27.63 1f4j n MET 392 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f4j n MET 394 N 5.71 0.68 0.00 0.00 2.81 -1.26 -5.01 117.12 120.06 1f4j n MET 394 Ca 0.13 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1f4j n MET 394 Cb 0.44 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1f4j n MET 394 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1f4j n GLN 395 N -3.13 3.13 0.00 0.03 3.00 -1.26 -4.91 117.38 114.23 1f4j n GLN 395 Ca -0.30 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.77 1f4j n GLN 395 Cb 1.06 0.00 0.44 0.00 0.00 0.00 0.00 30.24 31.74 1f4j n GLN 395 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1f4j n ASP 396 N 0.00 0.00 -2.83 1.08 5.75 -1.26 -4.82 116.55 114.47 1f4j n ASP 396 Ca 0.00 -0.06 -0.22 0.00 -0.01 0.00 0.00 54.79 54.50 1f4j n ASP 396 Cb 0.00 -0.23 0.02 0.00 -1.03 0.00 0.00 41.12 39.88 1f4j n ASP 396 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1f4j n ASN 397 N -1.23 -5.84 -2.12 -1.12 5.15 -1.26 -0.78 115.26 108.06 1f4j n ASN 397 Ca 0.09 -0.19 -0.17 0.00 -0.60 0.00 0.00 54.58 53.71 1f4j n ASN 397 Cb 0.12 -4.77 0.01 0.00 -0.53 0.00 0.00 39.78 34.61 1f4j n ASN 397 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f4j n GLN 398 N -3.66 -2.60 0.00 1.20 6.02 -1.26 -4.84 117.38 112.24 1f4j n GLN 398 Ca -0.15 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1f4j n GLN 398 Cb 0.64 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.73 1f4j n GLN 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f4j n GLY 399 N -1.19 2.64 0.77 1.08 0.00 0.04 -2.31 105.19 106.22 1f4j n GLY 399 Ca -0.14 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1f4j n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4j n GLY 400 N 0.00 1.78 3.47 -0.02 0.00 -1.26 -5.03 105.19 104.13 1f4j n GLY 400 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1f4j n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4j n ALA 401 N 0.86 -1.25 -1.65 4.61 0.00 -0.98 -4.79 120.51 117.31 1f4j n ALA 401 Ca 0.13 0.11 -0.46 0.00 0.00 0.00 0.00 53.44 53.22 1f4j n ALA 401 Cb 0.45 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 1f4j n ALA 401 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4j n PRO 402 N 0.37 1.90 -0.67 0.00 -0.02 -1.26 -4.88 135.00 130.44 1f4j n PRO 402 Ca 0.11 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.36 1f4j n PRO 402 Cb 0.42 -2.37 0.35 0.00 -0.02 0.00 0.00 33.50 31.88 1f4j n PRO 402 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1f4j n ASN 403 N 2.65 4.89 -4.12 2.55 2.04 -1.26 -4.95 115.26 117.06 1f4j n ASN 403 Ca 0.15 -2.70 -0.22 0.00 -0.44 0.00 0.00 54.58 51.37 1f4j n ASN 403 Cb 0.28 -0.59 -0.15 0.00 -2.53 0.00 0.00 39.78 36.80 1f4j n ASN 403 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1f4j s TYR 404 N -2.31 1.24 -0.06 -2.53 1.13 -1.26 -4.84 117.35 108.72 1f4j s TYR 404 Ca 0.50 -0.27 0.04 0.00 -1.41 0.00 0.00 57.07 55.93 1f4j s TYR 404 Cb 0.35 -0.78 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 1f4j s TYR 404 CO 0.18 -0.00 -0.19 -0.47 -2.51 0.00 0.00 175.55 172.56 1f4j s TYR 405 N -0.48 1.96 1.12 -3.49 5.04 -1.26 -4.10 117.35 116.15 1f4j s TYR 405 Ca 0.04 -0.67 -0.19 0.00 -2.44 0.00 0.00 57.07 53.82 1f4j s TYR 405 Cb -0.06 -1.33 0.26 0.00 0.35 0.00 0.00 41.96 41.18 1f4j s TYR 405 CO 0.00 -0.26 1.21 -1.25 -1.34 0.00 0.00 175.55 173.91 1f4j s PRO 406 N 0.23 -0.61 -0.12 4.97 0.04 -1.26 -5.21 135.00 133.04 1f4j s PRO 406 Ca -0.10 -0.28 -0.30 0.00 0.04 0.00 0.00 61.00 60.35 1f4j s PRO 406 Cb -0.14 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.83 1f4j s PRO 406 CO 0.04 -3.27 0.97 0.54 0.04 0.00 0.00 177.00 175.32 1f4j s ASN 407 N -4.37 -0.37 0.00 6.66 2.20 -1.26 -5.04 114.94 112.76 1f4j s ASN 407 Ca 0.73 0.31 0.27 0.00 -0.94 0.00 0.00 52.86 53.23 1f4j s ASN 407 Cb -0.06 0.33 1.04 0.00 -2.00 0.00 0.00 41.25 40.55 1f4j s ASN 407 CO 0.55 -0.41 1.73 -1.20 -2.94 0.00 0.00 177.10 174.83 1f4j n SER 408 N 0.49 1.44 -1.86 3.54 7.64 -1.26 -4.22 113.62 119.39 1f4j n SER 408 Ca -0.10 -1.51 -0.10 0.00 1.01 0.00 0.00 58.87 58.17 1f4j n SER 408 Cb 0.59 -0.02 0.21 0.00 -1.01 0.00 0.00 64.21 63.98 1f4j n SER 408 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1f4j n PHE 409 N 0.13 2.19 -3.28 1.43 3.72 -1.26 -4.95 117.46 115.45 1f4j n PHE 409 Ca 0.19 -1.22 -0.24 0.00 -0.05 0.00 0.00 57.45 56.13 1f4j n PHE 409 Cb 0.33 -0.67 0.05 0.00 -0.94 0.00 0.00 39.48 38.25 1f4j n PHE 409 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f4j n GLY 410 N -0.33 -0.53 0.56 1.37 0.00 -1.26 -4.91 105.19 100.09 1f4j n GLY 410 Ca 0.39 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.54 1f4j n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4j n ALA 411 N -4.09 -0.37 -1.71 4.61 0.00 -1.26 -4.95 120.51 112.74 1f4j n ALA 411 Ca -0.06 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1f4j n ALA 411 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1f4j n ALA 411 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4j n PRO 412 N -1.71 2.46 -4.02 0.00 -0.02 -1.26 -5.01 135.00 125.44 1f4j n PRO 412 Ca 0.02 0.88 -0.30 0.00 -2.02 0.00 0.00 63.50 62.09 1f4j n PRO 412 Cb 0.09 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 30.86 1f4j n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1f4j s GLU 413 N 0.20 3.05 0.27 -0.52 0.41 -1.26 -5.02 118.70 115.83 1f4j s GLU 413 Ca 0.71 -0.65 -0.28 0.00 -0.41 0.00 0.00 54.97 54.33 1f4j s GLU 413 Cb -0.57 -2.80 -0.09 0.00 -1.78 0.00 0.00 34.13 28.88 1f4j s GLU 413 CO 0.43 0.56 0.93 1.14 -0.49 0.00 0.00 175.26 177.83 1f4j s GLN 414 N -2.58 4.75 -0.24 1.61 -2.07 -1.26 -5.04 119.66 114.82 1f4j s GLN 414 Ca 0.31 1.41 -0.03 0.00 -1.82 0.00 0.00 55.36 55.23 1f4j s GLN 414 Cb -0.12 -3.10 0.01 0.00 -1.09 0.00 0.00 33.01 28.70 1f4j s GLN 414 CO 0.24 0.43 -0.03 1.14 -1.32 0.00 0.00 175.29 175.75 1f4j s GLN 415 N -1.50 3.14 0.54 9.60 -2.07 -1.26 -4.99 119.66 123.11 1f4j s GLN 415 Ca 0.44 -0.79 0.13 0.00 -1.82 0.00 0.00 55.36 53.33 1f4j s GLN 415 Cb -0.23 -3.05 0.73 0.00 -1.09 0.00 0.00 33.01 29.36 1f4j s GLN 415 CO 0.29 -0.31 1.35 -1.35 -1.32 0.00 0.00 175.29 173.95 1f4j h PRO 416 N 8.10 0.00 -0.20 9.60 0.11 -2.01 -1.91 132.00 145.69 1f4j h PRO 416 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1f4j h PRO 416 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1f4j h PRO 416 CO 0.59 0.00 0.07 0.77 -0.21 0.00 0.00 178.00 179.23 1f4j h SER 417 N 0.00 0.28 0.00 -2.05 0.02 -2.04 -3.05 113.55 106.70 1f4j h SER 417 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1f4j h SER 417 Cb 1.14 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1f4j h SER 417 CO 0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1f4j n ALA 418 N -2.24 2.25 -1.78 3.77 0.00 -0.72 -4.87 120.51 116.92 1f4j n ALA 418 Ca -0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1f4j n ALA 418 Cb 0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1f4j n ALA 418 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1f4j s LEU 419 N -1.05 4.36 0.67 0.00 2.96 -1.16 -4.94 118.68 119.52 1f4j s LEU 419 Ca 0.02 2.90 -0.13 0.00 -0.22 0.00 0.00 54.13 56.70 1f4j s LEU 419 Cb 0.01 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1f4j s LEU 419 CO 0.01 -0.75 1.07 -1.61 -1.32 0.00 0.00 176.35 173.76 1f4j s GLU 420 N -1.99 2.93 0.27 1.98 8.01 -1.26 -4.99 118.70 123.64 1f4j s GLU 420 Ca 0.51 1.13 -0.30 0.00 0.01 0.00 0.00 54.97 56.33 1f4j s GLU 420 Cb -0.44 -1.98 -0.10 0.00 -4.31 0.00 0.00 34.13 27.30 1f4j s GLU 420 CO 0.59 -1.12 1.41 -1.58 0.01 0.00 0.00 175.26 174.58 1f4j s HIS 421 N -2.73 3.02 0.01 1.61 5.65 -1.26 -5.01 115.29 116.58 1f4j s HIS 421 Ca 0.62 1.10 -0.04 0.00 0.25 0.00 0.00 55.06 56.99 1f4j s HIS 421 Cb -0.16 -3.80 -0.04 0.00 -1.18 0.00 0.00 32.58 27.40 1f4j s HIS 421 CO 0.47 -2.51 0.23 0.45 -0.65 0.00 0.00 174.74 172.73 1f4j s SER 422 N 0.20 6.43 -0.13 9.88 0.15 -1.26 -5.11 113.70 123.86 1f4j s SER 422 Ca 0.57 0.44 -0.23 0.00 0.70 0.00 0.00 55.95 57.43 1f4j s SER 422 Cb -0.41 -2.04 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1f4j s SER 422 CO 0.45 0.24 0.58 -0.63 1.20 0.00 0.00 173.24 175.08 1f4j s ILE 423 N -1.35 0.01 -0.04 6.45 1.01 -1.26 -5.15 121.20 120.87 1f4j s ILE 423 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1f4j s ILE 423 Cb -0.13 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1f4j s ILE 423 CO 0.19 -0.04 0.17 -1.58 0.00 0.00 0.00 174.94 173.68 1f4j s GLN 424 N -0.47 3.44 0.07 2.79 0.74 -1.26 -5.10 119.66 119.87 1f4j s GLN 424 Ca -0.06 -0.27 0.09 0.00 0.05 0.00 0.00 55.36 55.16 1f4j s GLN 424 Cb -0.03 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 1f4j s GLN 424 CO 0.05 0.70 -0.23 0.71 -0.55 0.00 0.00 175.29 175.97 1f4j s TYR 425 N -1.25 1.98 0.00 1.67 1.51 -1.26 -5.14 117.35 114.87 1f4j s TYR 425 Ca 0.24 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 1f4j s TYR 425 Cb -0.12 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1f4j s TYR 425 CO 0.15 0.17 0.37 -1.12 -1.11 0.00 0.00 175.55 174.01 1f4j s SER 426 N -1.54 6.72 0.00 2.29 0.01 -1.26 -5.01 113.70 114.91 1f4j s SER 426 Ca 0.09 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1f4j s SER 426 Cb -0.10 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1f4j s SER 426 CO 0.03 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1f4j n GLY 427 N 1.62 1.60 3.99 3.44 0.00 -1.26 -5.07 105.19 109.50 1f4j n GLY 427 Ca -0.13 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.51 1f4j n GLY 427 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f4j s GLU 428 N -1.57 3.12 -0.45 1.61 -1.05 -1.26 -5.06 118.70 114.03 1f4j s GLU 428 Ca 0.00 -0.96 -0.22 0.00 -0.15 0.00 0.00 54.97 53.64 1f4j s GLU 428 Cb 0.00 -2.80 0.03 0.00 -0.44 0.00 0.00 34.13 30.92 1f4j s GLU 428 CO 0.00 0.04 0.75 0.08 0.95 0.00 0.00 175.26 177.08 1f4j s VAL 429 N -2.21 4.69 -0.01 1.83 1.01 -1.26 -4.96 120.40 119.50 1f4j s VAL 429 Ca 0.45 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1f4j s VAL 429 Cb -0.10 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.10 1f4j s VAL 429 CO 0.32 -0.71 1.29 0.00 0.00 0.00 0.00 175.10 176.00 1f4j s ARG 430 N 3.17 0.40 -0.11 2.72 1.70 -1.26 -5.14 118.95 120.44 1f4j s ARG 430 Ca 0.27 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 1f4j s ARG 430 Cb -0.13 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.36 1f4j s ARG 430 CO 0.21 -0.19 1.06 1.03 -1.08 0.00 0.00 175.30 176.34 1f4j s ARG 431 N -2.25 4.39 -0.24 3.89 0.52 -1.26 -5.03 118.95 118.97 1f4j s ARG 431 Ca 0.20 1.46 -0.06 0.00 -0.52 0.00 0.00 55.73 56.81 1f4j s ARG 431 Cb 0.03 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1f4j s ARG 431 CO -0.03 -0.38 0.03 -0.06 0.02 0.00 0.00 175.30 174.87 1f4j s PHE 432 N 2.21 3.04 0.13 -0.53 0.08 -1.26 -5.07 117.98 116.57 1f4j s PHE 432 Ca 0.50 -0.66 -0.31 0.00 0.12 0.00 0.00 56.93 56.57 1f4j s PHE 432 Cb -0.19 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 39.97 1f4j s PHE 432 CO 0.18 -0.45 1.70 1.21 -0.10 0.00 0.00 175.22 177.75 1f4j s ASN 433 N 1.55 6.51 -0.09 1.36 3.04 -1.26 -4.88 114.94 121.18 1f4j s ASN 433 Ca 0.06 2.65 0.13 0.00 0.04 0.00 0.00 52.86 55.74 1f4j s ASN 433 Cb -0.15 -2.58 0.35 0.00 -1.54 0.00 0.00 41.25 37.34 1f4j s ASN 433 CO 0.01 -0.92 1.27 0.35 -3.04 0.00 0.00 177.10 174.77 1f4j n THR 434 N 4.46 1.63 0.53 -5.21 -2.24 -1.26 -4.53 114.28 107.65 1f4j n THR 434 Ca 0.16 -1.53 0.12 0.00 -2.27 0.00 0.00 64.05 60.53 1f4j n THR 434 Cb 0.39 0.10 0.46 0.00 -2.10 0.00 0.00 70.33 69.17 1f4j n THR 434 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4j n ALA 435 N -0.30 1.92 0.24 6.98 0.00 -1.26 -2.45 120.51 125.64 1f4j n ALA 435 Ca 0.14 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1f4j n ALA 435 Cb 0.62 -1.41 0.38 0.00 0.00 0.00 0.00 19.45 19.03 1f4j n ALA 435 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1f4j h ASN 436 N 0.00 0.00 -4.09 0.00 4.21 -2.00 -3.46 115.58 110.23 1f4j h ASN 436 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1f4j h ASN 436 Cb 0.49 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 37.85 1f4j h ASN 436 CO 0.00 0.05 0.55 -1.81 -1.29 0.00 0.00 177.43 174.94 1f4j s ASP 437 N -6.04 4.81 0.40 5.81 1.11 -1.02 -4.89 116.67 116.84 1f4j s ASP 437 Ca 0.04 2.69 -0.25 0.00 0.18 0.00 0.00 52.55 55.21 1f4j s ASP 437 Cb 0.07 -2.63 -0.11 0.00 1.07 0.00 0.00 42.92 41.32 1f4j s ASP 437 CO 0.63 -1.87 1.04 -0.67 1.18 0.00 0.00 175.17 175.47 1f4j n ASP 438 N -1.61 1.41 0.00 0.27 -0.08 -1.26 -4.90 116.55 110.38 1f4j n ASP 438 Ca 0.14 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 1f4j n ASP 438 Cb 0.47 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1f4j n ASP 438 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1f4j n ASN 439 N 0.61 0.14 0.00 1.67 3.02 -1.26 -4.92 115.26 114.52 1f4j n ASN 439 Ca 0.09 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1f4j n ASN 439 Cb 0.38 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1f4j n ASN 439 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1f4j n VAL 440 N -0.67 0.00 -0.32 2.41 0.24 -1.26 -4.53 118.33 114.20 1f4j n VAL 440 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1f4j n VAL 440 Cb 0.01 -0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 31.71 1f4j n VAL 440 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1f4j h THR 441 N 0.00 0.00 0.00 3.34 2.02 -1.93 0.27 112.91 116.61 1f4j h THR 441 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1f4j h THR 441 Cb 0.71 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1f4j h THR 441 CO 0.00 0.00 -0.26 1.56 0.37 0.00 0.00 175.52 177.19 1f4j h GLN 442 N -0.01 0.00 -0.29 6.66 4.20 -1.96 -2.53 115.11 121.17 1f4j h GLN 442 Ca 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1f4j h GLN 442 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1f4j h GLN 442 CO -0.73 0.26 -0.01 0.28 -0.67 0.00 0.00 178.83 177.96 1f4j h VAL 443 N 0.00 1.26 -0.96 -0.54 2.07 -0.94 -0.82 116.25 116.32 1f4j h VAL 443 Ca -0.00 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1f4j h VAL 443 Cb 0.51 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1f4j h VAL 443 CO 0.03 0.31 0.59 -0.09 0.02 0.00 0.00 177.57 178.43 1f4j h ARG 444 N 0.31 1.29 -0.17 1.57 2.43 -0.40 0.18 114.38 119.59 1f4j h ARG 444 Ca 0.08 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1f4j h ARG 444 Cb 0.45 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1f4j h ARG 444 CO 0.02 0.89 -0.18 0.00 -1.51 0.00 0.00 179.97 179.19 1f4j h ALA 445 N 1.32 -0.09 -0.49 2.80 0.00 -1.01 0.95 119.26 122.74 1f4j h ALA 445 Ca 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1f4j h ALA 445 Cb -0.08 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1f4j h ALA 445 CO -0.07 -0.62 0.26 0.35 0.00 0.00 0.00 179.25 179.17 1f4j h PHE 446 N -0.21 0.68 0.57 0.00 3.57 -0.38 -0.06 116.94 121.10 1f4j h PHE 446 Ca 0.11 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1f4j h PHE 446 Cb 0.37 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.90 1f4j h PHE 446 CO -0.31 0.51 -0.27 -0.92 -2.23 0.00 0.00 178.31 175.08 1f4j h TYR 447 N 0.65 -0.71 0.17 0.41 5.03 -0.04 -2.80 116.97 119.68 1f4j h TYR 447 Ca 0.17 -0.02 -0.30 0.00 2.58 0.00 0.00 58.73 61.17 1f4j h TYR 447 Cb 0.06 0.23 0.02 0.00 1.55 0.00 0.00 36.73 38.59 1f4j h TYR 447 CO -0.02 -0.43 -1.35 -0.24 -1.32 0.00 0.00 178.16 174.80 1f4j h VAL 448 N -0.79 1.40 0.00 1.81 3.04 -0.85 -3.36 116.25 117.50 1f4j h VAL 448 Ca -0.08 -2.92 0.00 0.00 -1.01 0.00 0.00 66.70 62.69 1f4j h VAL 448 Cb 0.60 2.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.84 1f4j h VAL 448 CO 0.13 0.86 -0.29 0.59 -1.01 0.00 0.00 177.57 177.85 1f4j n ASN 449 N -3.59 0.75 -0.07 3.17 5.03 -0.04 -4.59 115.26 115.93 1f4j n ASN 449 Ca -0.12 0.29 0.24 0.00 0.87 0.00 0.00 54.58 55.86 1f4j n ASN 449 Cb 1.05 -0.63 0.71 0.00 -1.02 0.00 0.00 39.78 39.90 1f4j n ASN 449 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1f4j h VAL 450 N -0.40 0.62 -3.58 2.41 2.07 -1.53 -3.42 116.25 112.42 1f4j h VAL 450 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1f4j h VAL 450 Cb 0.29 0.65 -0.16 0.00 -1.52 0.00 0.00 31.29 30.54 1f4j h VAL 450 CO 0.00 0.00 -0.73 -0.76 0.02 0.00 0.00 177.57 176.10 1f4j s LEU 451 N -8.51 3.09 0.28 2.57 1.43 -1.06 -5.06 118.68 111.42 1f4j s LEU 451 Ca -0.05 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1f4j s LEU 451 Cb 0.20 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1f4j s LEU 451 CO 0.73 0.21 0.27 0.54 0.23 0.00 0.00 176.35 178.32 1f4j s ASN 452 N -1.97 5.61 0.09 2.29 2.20 -1.26 -4.72 114.94 117.17 1f4j s ASN 452 Ca 0.20 -0.26 -0.17 0.00 -0.94 0.00 0.00 52.86 51.69 1f4j s ASN 452 Cb -0.11 -1.34 -0.04 0.00 -2.00 0.00 0.00 41.25 37.76 1f4j s ASN 452 CO 0.12 -0.16 0.87 1.21 -2.94 0.00 0.00 177.10 176.20 1f4j n GLU 453 N -1.30 -0.23 -0.23 3.55 4.07 -1.26 -1.03 120.64 124.21 1f4j n GLU 453 Ca -0.06 0.85 -0.06 0.00 -0.06 0.00 0.00 57.16 57.84 1f4j n GLU 453 Cb 0.58 -1.26 -0.05 0.00 -0.06 0.00 0.00 31.44 30.65 1f4j n GLU 453 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1f4j n GLU 454 N -4.55 -0.24 0.06 5.31 -0.58 -1.26 -1.54 120.64 117.84 1f4j n GLU 454 Ca 0.01 1.12 -0.11 0.00 -0.42 0.00 0.00 57.16 57.76 1f4j n GLU 454 Cb 0.14 -1.65 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 1f4j n GLU 454 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1f4j h GLN 455 N 0.00 -0.25 -0.99 3.49 4.20 -1.48 -1.56 115.11 118.52 1f4j h GLN 455 Ca 0.09 0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.02 1f4j h GLN 455 Cb 0.22 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.96 1f4j h GLN 455 CO -0.51 -0.17 0.62 0.00 -0.67 0.00 0.00 178.83 178.10 1f4j h ARG 456 N -0.26 0.63 0.30 1.46 3.08 -0.80 0.64 114.38 119.43 1f4j h ARG 456 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1f4j h ARG 456 Cb 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1f4j h ARG 456 CO -0.14 0.42 -0.14 -0.22 -1.07 0.00 0.00 179.97 178.82 1f4j h LYS 457 N 0.65 -0.38 -0.24 0.04 3.64 -0.57 -0.92 116.57 118.79 1f4j h LYS 457 Ca 0.57 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 60.02 1f4j h LYS 457 Cb 1.04 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1f4j h LYS 457 CO -0.35 -0.06 0.17 0.00 -2.27 0.00 0.00 179.45 176.94 1f4j h ARG 458 N -0.77 0.11 0.05 1.90 3.08 -0.41 0.18 114.38 118.51 1f4j h ARG 458 Ca -0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f4j h ARG 458 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1f4j h ARG 458 CO 0.07 0.07 -0.02 1.25 -1.07 0.00 0.00 179.97 180.27 1f4j h LEU 459 N 0.11 -0.05 -0.99 3.04 5.85 0.54 0.21 115.31 124.02 1f4j h LEU 459 Ca 0.11 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1f4j h LEU 459 Cb 0.30 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1f4j h LEU 459 CO -0.01 0.14 -0.05 0.00 -0.34 0.00 0.00 178.44 178.18 1f4j h GLU 461 N 0.63 0.82 -0.49 0.00 5.08 -0.48 -1.49 114.58 118.65 1f4j h GLU 461 Ca 0.12 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1f4j h GLU 461 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1f4j h GLU 461 CO 0.02 0.96 0.28 -0.91 -1.00 0.00 0.00 179.01 178.37 1f4j h ASN 462 N 0.64 0.59 0.20 1.42 -0.26 -0.35 -1.36 115.58 116.47 1f4j h ASN 462 Ca 0.10 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1f4j h ASN 462 Cb 0.68 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1f4j h ASN 462 CO 0.05 0.49 -0.10 0.40 -1.06 0.00 0.00 177.43 177.21 1f4j h ILE 463 N 0.65 0.87 -0.75 2.81 2.04 -1.32 -3.08 117.51 118.73 1f4j h ILE 463 Ca 0.17 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1f4j h ILE 463 Cb 0.02 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1f4j h ILE 463 CO -0.03 0.10 0.49 0.00 0.00 0.00 0.00 178.15 178.71 1f4j h ALA 464 N 0.26 1.78 0.00 1.87 0.00 -1.18 0.40 119.26 122.38 1f4j h ALA 464 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1f4j h ALA 464 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f4j h ALA 464 CO 0.05 0.08 -0.07 0.78 0.00 0.00 0.00 179.25 180.08 1f4j h GLY 465 N 0.69 0.00 0.00 0.00 0.00 -1.16 -0.30 103.07 102.31 1f4j h GLY 465 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.24 1f4j h GLY 465 CO -0.12 0.00 -2.49 1.57 0.00 0.00 0.00 176.54 175.50 1f4j n HIS 466 N -3.43 0.00 0.28 5.60 -0.00 -0.25 -4.42 115.22 112.99 1f4j n HIS 466 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.86 1f4j n HIS 466 Cb 0.22 -0.97 0.77 0.00 -0.00 0.00 0.00 29.99 30.01 1f4j n HIS 466 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1f4j h LEU 467 N -0.55 0.00 -1.86 0.27 5.85 -0.27 -2.85 115.31 115.90 1f4j h LEU 467 Ca -0.64 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.16 1f4j h LEU 467 Cb 1.72 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1f4j h LEU 467 CO -0.28 0.08 0.25 0.07 -0.34 0.00 0.00 178.44 178.22 1f4j h LYS 468 N 0.00 0.16 0.00 1.25 2.10 -1.26 -1.62 116.57 117.21 1f4j h LYS 468 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1f4j h LYS 468 Cb 0.38 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1f4j h LYS 468 CO 0.01 0.11 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1f4j n ASP 469 N -4.47 0.00 -4.88 7.07 8.00 -1.08 -4.86 116.55 116.34 1f4j n ASP 469 Ca 0.05 0.42 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 1f4j n ASP 469 Cb 0.32 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1f4j n ASP 469 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f4j s ALA 470 N -2.95 3.23 0.45 2.24 0.00 -0.61 -4.69 121.76 119.43 1f4j s ALA 470 Ca 0.15 -0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1f4j s ALA 470 Cb 0.18 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 1f4j s ALA 470 CO 0.49 -0.45 1.30 1.04 0.00 0.00 0.00 175.76 178.14 1f4j n GLN 471 N -2.29 1.93 -0.05 0.00 6.02 -1.26 -4.70 117.38 117.02 1f4j n GLN 471 Ca 0.04 0.69 0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1f4j n GLN 471 Cb 0.54 -2.44 0.59 0.00 1.02 0.00 0.00 30.24 29.95 1f4j n GLN 471 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1f4j h ILE 472 N 2.00 0.80 0.00 5.09 2.04 -1.94 -0.32 117.51 125.18 1f4j h ILE 472 Ca -0.49 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 1f4j h ILE 472 Cb 1.29 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1f4j h ILE 472 CO 0.59 0.04 -0.38 2.19 0.00 0.00 0.00 178.15 180.59 1f4j h PHE 473 N 0.22 0.00 -0.00 1.37 -5.15 -2.00 -1.94 116.94 109.44 1f4j h PHE 473 Ca 0.28 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.87 1f4j h PHE 473 Cb 0.80 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.99 1f4j h PHE 473 CO -0.00 0.38 -0.71 0.82 -2.00 0.00 0.00 178.31 176.80 1f4j h ILE 474 N 0.00 1.39 -0.99 0.88 2.04 -1.45 -2.71 117.51 116.67 1f4j h ILE 474 Ca -0.00 -2.12 0.15 0.00 1.00 0.00 0.00 64.86 63.88 1f4j h ILE 474 Cb 0.75 2.54 -0.09 0.00 -0.74 0.00 0.00 36.82 39.28 1f4j h ILE 474 CO 0.05 0.63 0.61 1.56 0.00 0.00 0.00 178.15 180.99 1f4j h GLN 475 N 0.02 0.85 -0.21 2.37 4.20 -0.87 -1.02 115.11 120.45 1f4j h GLN 475 Ca -0.09 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1f4j h GLN 475 Cb 1.41 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1f4j h GLN 475 CO 0.14 0.57 -0.08 0.87 -0.67 0.00 0.00 178.83 179.65 1f4j h LYS 476 N 0.88 0.43 -0.75 1.46 1.79 -1.32 -0.34 116.57 118.72 1f4j h LYS 476 Ca 0.52 -0.18 0.04 0.00 -2.18 0.00 0.00 60.65 58.85 1f4j h LYS 476 Cb 0.65 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1f4j h LYS 476 CO -0.32 0.70 0.49 -0.22 -1.08 0.00 0.00 179.45 179.03 1f4j h LYS 477 N 0.15 0.88 -0.09 3.15 3.11 -1.05 -0.48 116.57 122.25 1f4j h LYS 477 Ca 0.05 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1f4j h LYS 477 Cb 0.56 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1f4j h LYS 477 CO 0.03 0.58 -0.26 0.00 -2.81 0.00 0.00 179.45 176.99 1f4j h ALA 478 N 1.56 0.15 -0.70 5.00 0.00 -1.08 -3.07 119.26 121.12 1f4j h ALA 478 Ca 0.30 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1f4j h ALA 478 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1f4j h ALA 478 CO -0.09 0.15 0.44 0.28 0.00 0.00 0.00 179.25 180.04 1f4j h VAL 479 N -0.14 1.11 -0.88 0.00 2.07 -0.65 0.05 116.25 117.80 1f4j h VAL 479 Ca -0.01 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.39 1f4j h VAL 479 Cb 0.89 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1f4j h VAL 479 CO 0.06 0.16 0.58 0.11 0.02 0.00 0.00 177.57 178.49 1f4j h LYS 480 N 0.88 0.48 -0.12 1.57 1.57 -1.10 -0.04 116.57 119.80 1f4j h LYS 480 Ca 0.28 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1f4j h LYS 480 Cb -0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1f4j h LYS 480 CO -0.10 0.32 -0.20 -0.91 -0.57 0.00 0.00 179.45 177.99 1f4j h ASN 481 N 0.50 0.39 0.12 0.86 2.35 -0.92 -1.71 115.58 117.17 1f4j h ASN 481 Ca 0.45 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1f4j h ASN 481 Cb 0.99 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 1f4j h ASN 481 CO -0.19 0.85 -0.03 -0.26 -1.65 0.00 0.00 177.43 176.15 1f4j h PHE 482 N -0.06 0.00 0.09 1.19 0.04 -0.51 -1.40 116.94 116.29 1f4j h PHE 482 Ca 0.01 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 1f4j h PHE 482 Cb 0.77 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.93 1f4j h PHE 482 CO 0.10 0.03 -1.14 1.15 -0.60 0.00 0.00 178.31 177.85 1f4j h THR 483 N 0.00 1.40 0.00 -1.55 2.02 -0.86 -2.69 112.91 111.23 1f4j h THR 483 Ca -0.00 -2.67 -0.01 0.00 0.77 0.00 0.00 66.41 64.50 1f4j h THR 483 Cb 0.10 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1f4j h THR 483 CO 0.00 0.79 -0.03 -0.08 0.37 0.00 0.00 175.52 176.57 1f4j h GLU 484 N 0.19 0.00 0.00 6.66 4.81 -0.31 -2.91 114.58 123.01 1f4j h GLU 484 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1f4j h GLU 484 Cb 1.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1f4j h GLU 484 CO 0.20 0.03 -0.04 0.28 -0.73 0.00 0.00 179.01 178.76 1f4j h VAL 485 N 0.00 0.00 -3.30 0.32 2.07 -1.47 -3.48 116.25 110.39 1f4j h VAL 485 Ca -0.00 -0.56 -0.22 0.00 0.82 0.00 0.00 66.70 66.75 1f4j h VAL 485 Cb 0.13 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 29.61 1f4j h VAL 485 CO 0.00 0.00 -0.57 -2.28 0.02 0.00 0.00 177.57 174.75 1f4j s HIS 486 N -1.36 -0.17 0.29 1.57 2.46 -1.03 -4.76 115.29 112.29 1f4j s HIS 486 Ca -0.01 0.45 -0.03 0.00 0.47 0.00 0.00 55.06 55.94 1f4j s HIS 486 Cb 0.00 -0.01 0.41 0.00 -0.13 0.00 0.00 32.58 32.85 1f4j s HIS 486 CO 0.02 -0.13 1.96 -1.35 -2.47 0.00 0.00 174.74 172.77 1f4j h PRO 487 N 6.60 1.14 -0.04 2.88 0.11 -1.81 -1.62 132.00 139.25 1f4j h PRO 487 Ca -0.34 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1f4j h PRO 487 Cb 1.17 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1f4j h PRO 487 CO 0.42 0.75 -0.35 -0.44 -0.21 0.00 0.00 178.00 178.17 1f4j h ASP 488 N 1.17 0.08 0.56 -2.05 3.45 -1.90 -1.56 116.42 116.17 1f4j h ASP 488 Ca 0.32 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.72 1f4j h ASP 488 Cb -0.14 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1f4j h ASP 488 CO -0.07 0.43 -0.27 0.22 -1.57 0.00 0.00 179.24 177.98 1f4j h TYR 489 N 0.07 -0.70 -0.22 4.55 3.20 -1.54 -1.39 116.97 120.95 1f4j h TYR 489 Ca 0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1f4j h TYR 489 Cb 0.65 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1f4j h TYR 489 CO 0.00 -0.42 0.03 0.78 -1.64 0.00 0.00 178.16 176.92 1f4j h GLY 490 N -0.78 0.40 1.63 1.82 0.00 -1.33 -3.14 103.07 101.66 1f4j h GLY 490 Ca -0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1f4j h GLY 490 CO 0.13 0.25 -0.09 1.48 0.00 0.00 0.00 176.54 178.31 1f4j h SER 491 N 0.17 0.44 -0.36 0.19 4.64 -1.27 -1.46 113.55 115.89 1f4j h SER 491 Ca 0.07 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1f4j h SER 491 Cb 0.33 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1f4j h SER 491 CO 0.01 0.57 -0.32 -0.74 -0.87 0.00 0.00 176.83 175.48 1f4j h HIS 492 N 0.43 1.05 -0.46 4.77 6.17 -1.30 -0.30 115.15 125.52 1f4j h HIS 492 Ca 0.09 -0.29 -0.00 0.00 0.71 0.00 0.00 60.37 60.88 1f4j h HIS 492 Cb 0.43 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 1f4j h HIS 492 CO 0.01 1.09 0.28 0.82 0.71 0.00 0.00 177.93 180.84 1f4j h ILE 493 N 0.75 1.14 -0.54 6.26 2.04 -1.42 -0.77 117.51 124.97 1f4j h ILE 493 Ca 0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1f4j h ILE 493 Cb 0.89 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1f4j h ILE 493 CO 0.08 0.14 0.26 -0.61 0.00 0.00 0.00 178.15 178.03 1f4j h GLN 494 N 0.61 0.75 -0.53 2.37 5.75 -1.02 0.26 115.11 123.31 1f4j h GLN 494 Ca 0.16 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1f4j h GLN 494 Cb -0.01 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1f4j h GLN 494 CO -0.03 0.58 0.32 0.00 -2.65 0.00 0.00 178.83 177.05 1f4j h ALA 495 N 1.53 0.68 -0.27 3.38 0.00 -0.11 0.80 119.26 125.27 1f4j h ALA 495 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1f4j h ALA 495 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1f4j h ALA 495 CO -0.03 0.16 -0.02 -0.07 0.00 0.00 0.00 179.25 179.30 1f4j h LEU 496 N 0.72 0.48 -0.45 0.00 3.38 -0.05 -3.10 115.31 116.29 1f4j h LEU 496 Ca 0.19 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1f4j h LEU 496 Cb -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1f4j h LEU 496 CO -0.04 0.69 0.17 -0.07 0.09 0.00 0.00 178.44 179.28 1f4j h LEU 497 N 0.26 0.19 -0.95 1.67 3.38 -0.11 -1.88 115.31 117.87 1f4j h LEU 497 Ca 0.07 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.27 1f4j h LEU 497 Cb 0.45 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1f4j h LEU 497 CO 0.02 0.14 0.54 0.44 0.09 0.00 0.00 178.44 179.66 1f4j h ASP 498 N 0.34 0.66 0.80 -0.43 3.32 -0.78 0.49 116.42 120.82 1f4j h ASP 498 Ca 0.21 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1f4j h ASP 498 Cb 0.19 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1f4j h ASP 498 CO -0.20 0.23 -0.38 0.11 -1.72 0.00 0.00 179.24 177.28 1f4j h LYS 499 N 0.68 -1.03 -0.21 3.56 1.57 -1.31 -3.05 116.57 116.77 1f4j h LYS 499 Ca 0.54 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.45 1f4j h LYS 499 Cb 0.84 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 1f4j h LYS 499 CO -0.39 -0.68 -0.28 1.88 -0.57 0.00 0.00 179.45 179.41 1f4j h TYR 500 N -1.13 -0.76 0.00 -1.35 0.05 -0.79 0.13 116.97 113.12 1f4j h TYR 500 Ca -0.11 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1f4j h TYR 500 Cb 0.83 0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.94 1f4j h TYR 500 CO -0.01 -0.36 0.00 0.09 -1.05 0.00 0.00 178.16 176.84 1f4j n ASN 501 N -5.39 0.00 -0.14 3.88 3.02 0.16 -5.11 115.26 111.68 1f4j n ASN 501 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.55 1f4j n ASN 501 Cb 0.31 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.49 1f4j n ASN 501 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64