#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4j s VAL 26 N 0.00 4.93 -0.07 2.53 1.01 -1.26 -5.02 120.40 122.52 1f4j s VAL 26 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1f4j s VAL 26 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1f4j s VAL 26 CO 0.00 0.00 1.70 -0.22 0.00 0.00 0.00 175.10 176.58 1f4j s LEU 27 N 2.53 4.25 0.46 3.92 2.96 -1.26 -4.95 118.68 126.59 1f4j s LEU 27 Ca 0.30 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.44 1f4j s LEU 27 Cb -0.15 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1f4j s LEU 27 CO 0.08 -1.01 0.01 0.42 -1.32 0.00 0.00 176.35 174.53 1f4j s THR 28 N 4.37 1.53 0.61 3.68 -4.23 -1.26 -0.89 115.64 119.45 1f4j s THR 28 Ca 0.75 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1f4j s THR 28 Cb -0.33 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1f4j s THR 28 CO 0.31 0.00 0.87 0.42 -0.54 0.00 0.00 174.62 175.67 1f4j s THR 29 N -2.81 2.53 0.58 3.99 -4.23 -0.67 -4.88 115.64 110.14 1f4j s THR 29 Ca 0.19 -0.51 0.28 0.00 -1.18 0.00 0.00 61.69 60.48 1f4j s THR 29 Cb 0.05 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 71.28 1f4j s THR 29 CO 0.10 -0.01 1.94 1.23 -0.54 0.00 0.00 174.62 177.34 1f4j h GLY 30 N -0.18 0.00 -1.77 3.99 0.00 -1.92 0.35 103.07 103.54 1f4j h GLY 30 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1f4j h GLY 30 CO 0.55 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.09 1f4j n ALA 31 N -2.41 2.43 -0.93 3.60 0.00 -1.26 -4.93 120.51 117.01 1f4j n ALA 31 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1f4j n ALA 31 Cb 0.63 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.30 0.49 3.68 0.00 0.00 0.12 -5.03 105.19 105.76 1f4j n GLY 32 Ca 0.17 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.37 7.04 0.45 1.61 0.02 -1.26 -4.72 114.94 115.72 1f4j s ASN 33 Ca 0.00 1.27 -0.23 0.00 -1.02 0.00 0.00 52.86 52.88 1f4j s ASN 33 Cb 0.00 -2.48 -0.10 0.00 0.02 0.00 0.00 41.25 38.70 1f4j s ASN 33 CO 0.00 -0.38 1.01 -2.65 0.02 0.00 0.00 177.10 175.11 1f4j n PRO 34 N 4.99 1.31 -4.15 -0.60 -0.02 -1.26 -1.68 135.00 133.58 1f4j n PRO 34 Ca 0.05 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 1f4j n PRO 34 Cb 0.49 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 1f4j n PRO 34 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1f4j s VAL 35 N -1.32 4.70 -0.10 -1.45 1.01 -0.06 -4.84 120.40 118.33 1f4j s VAL 35 Ca 0.65 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 1f4j s VAL 35 Cb -0.53 -3.04 -0.28 0.00 0.00 0.00 0.00 36.38 32.53 1f4j s VAL 35 CO 0.55 0.55 0.79 1.23 0.00 0.00 0.00 175.10 178.23 1f4j h GLY 36 N 5.72 0.15 -6.11 4.51 0.00 -1.93 -3.46 103.07 101.95 1f4j h GLY 36 Ca -0.46 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.32 1f4j h GLY 36 CO 0.61 0.34 -0.43 -0.35 0.00 0.00 0.00 176.54 176.71 1f4j s ASP 37 N -6.59 -0.07 -0.25 0.19 3.68 -1.26 -5.03 116.67 107.35 1f4j s ASP 37 Ca -0.17 0.77 0.10 0.00 2.13 0.00 0.00 52.55 55.38 1f4j s ASP 37 Cb -0.01 0.91 0.44 0.00 -1.45 0.00 0.00 42.92 42.81 1f4j s ASP 37 CO 0.75 -0.22 1.26 1.17 0.13 0.00 0.00 175.17 178.26 1f4j n LYS 38 N 5.07 2.09 -0.00 4.34 4.81 -1.26 -4.52 118.16 128.69 1f4j n LYS 38 Ca -0.12 -3.48 0.00 0.00 -0.87 0.00 0.00 58.31 53.84 1f4j n LYS 38 Cb 0.51 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.03 0.03 -3.84 3.14 4.77 -1.26 -5.02 117.00 113.79 1f4j n LEU 39 Ca 0.27 -0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1f4j n LEU 39 Cb 0.80 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.75 1f4j n LEU 39 CO 0.10 0.01 -0.34 0.20 -1.33 0.00 0.00 177.39 176.03 1f4j s ASN 40 N -1.48 0.01 0.44 -1.43 0.01 -1.26 -5.16 114.94 106.06 1f4j s ASN 40 Ca 0.00 0.04 -0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1f4j s ASN 40 Cb 0.01 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.64 1f4j s ASN 40 CO 0.04 -0.04 0.72 0.68 -1.51 0.00 0.00 177.10 176.99 1f4j s VAL 41 N 0.30 4.95 0.08 1.60 -7.23 -1.26 -4.95 120.40 113.90 1f4j s VAL 41 Ca -0.02 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 1f4j s VAL 41 Cb -0.04 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 32.99 1f4j s VAL 41 CO -0.01 -0.76 1.16 -0.63 -0.31 0.00 0.00 175.10 174.55 1f4j s ILE 42 N -2.62 4.06 0.06 -0.62 1.01 -1.26 -5.03 121.20 116.79 1f4j s ILE 42 Ca 0.46 1.54 -0.00 0.00 0.00 0.00 0.00 60.65 62.64 1f4j s ILE 42 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1f4j s ILE 42 CO 0.42 0.15 -0.04 0.42 0.00 0.00 0.00 174.94 175.89 1f4j s THR 43 N 0.75 0.35 -0.90 2.92 -4.23 -1.26 -2.59 115.64 110.69 1f4j s THR 43 Ca 0.56 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 59.20 1f4j s THR 43 Cb -0.29 -1.37 0.17 0.00 1.34 0.00 0.00 72.50 72.35 1f4j s THR 43 CO 0.31 -0.88 0.99 0.54 -0.54 0.00 0.00 174.62 175.04 1f4j s VAL 44 N -3.42 5.10 0.00 2.29 0.11 -0.91 -4.83 120.40 118.74 1f4j s VAL 44 Ca 0.05 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.13 1f4j s VAL 44 Cb 0.04 -4.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.24 1f4j s VAL 44 CO -0.07 -1.31 0.00 0.61 -3.33 0.00 0.00 175.10 170.99 1f4j n GLY 45 N 4.84 0.95 0.24 6.54 0.00 -1.26 -3.39 105.19 113.11 1f4j n GLY 45 Ca 0.20 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 -0.19 1.61 0.13 -2.01 -2.93 132.00 128.60 1f4j h PRO 46 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1f4j h PRO 46 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1f4j h PRO 46 CO 0.00 0.09 -0.52 0.54 -0.23 0.00 0.00 178.00 177.88 1f4j n ARG 47 N -4.38 2.04 -3.38 0.86 1.74 -1.26 -5.05 116.66 107.24 1f4j n ARG 47 Ca -0.03 -3.48 -0.20 0.00 -0.77 0.00 0.00 57.85 53.37 1f4j n ARG 47 Cb 0.17 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.24 2.05 0.90 -0.13 0.00 -1.11 -5.05 107.32 100.74 1f4j s GLY 48 Ca 0.42 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 1f4j s GLY 48 CO -0.04 -1.68 1.09 2.56 0.00 0.00 0.00 173.10 175.03 1f4j s PRO 49 N -4.30 1.20 0.16 2.90 0.04 -1.26 -4.34 135.00 129.39 1f4j s PRO 49 Ca 0.50 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1f4j s PRO 49 Cb -0.05 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1f4j s PRO 49 CO 0.30 -2.27 1.08 -1.17 0.04 0.00 0.00 177.00 174.97 1f4j s LEU 50 N -6.23 4.48 -0.10 -3.56 2.96 -1.26 -2.13 118.68 112.84 1f4j s LEU 50 Ca 0.64 2.02 -0.04 0.00 -0.22 0.00 0.00 54.13 56.53 1f4j s LEU 50 Cb -0.18 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1f4j s LEU 50 CO 0.57 -0.20 0.08 -0.76 -1.32 0.00 0.00 176.35 174.72 1f4j s LEU 51 N -0.21 4.04 0.52 -0.68 1.02 -1.07 -4.99 118.68 117.31 1f4j s LEU 51 Ca 0.49 0.32 0.22 0.00 0.02 0.00 0.00 54.13 55.18 1f4j s LEU 51 Cb -0.28 -2.00 1.33 0.00 0.02 0.00 0.00 46.19 45.25 1f4j s LEU 51 CO 0.33 0.38 2.03 0.58 0.02 0.00 0.00 176.35 179.69 1f4j h VAL 52 N 3.96 0.81 0.00 -1.59 2.07 -1.97 -1.08 116.25 118.45 1f4j h VAL 52 Ca -0.53 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1f4j h VAL 52 Cb 1.21 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1f4j h VAL 52 CO 0.57 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1f4j n GLN 53 N -4.42 0.13 -1.27 1.57 10.64 -1.26 -3.72 117.38 119.05 1f4j n GLN 53 Ca 0.07 0.20 -0.37 0.00 -1.83 0.00 0.00 57.00 55.08 1f4j n GLN 53 Cb 0.47 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.33 7.09 0.32 2.61 -0.08 -0.41 -4.63 116.55 120.12 1f4j n ASP 54 Ca 0.05 -2.57 0.20 0.00 -1.51 0.00 0.00 54.79 50.96 1f4j n ASP 54 Cb 0.10 -1.47 1.08 0.00 2.34 0.00 0.00 41.12 43.17 1f4j n ASP 54 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f4j h VAL 55 N 3.29 0.15 0.08 5.18 -1.51 -1.85 -1.86 116.25 119.72 1f4j h VAL 55 Ca 0.75 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.21 1f4j h VAL 55 Cb 0.33 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1f4j h VAL 55 CO 1.75 0.00 -0.04 0.58 -1.23 0.00 0.00 177.57 178.63 1f4j h VAL 56 N 0.00 0.95 0.15 7.19 2.07 -1.94 0.12 116.25 124.79 1f4j h VAL 56 Ca 0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1f4j h VAL 56 Cb 0.12 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1f4j h VAL 56 CO -0.00 0.02 -0.18 0.15 0.02 0.00 0.00 177.57 177.58 1f4j h PHE 57 N -0.15 -0.47 -0.09 1.57 3.57 -1.74 -2.42 116.94 117.22 1f4j h PHE 57 Ca -0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1f4j h PHE 57 Cb 0.12 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1f4j h PHE 57 CO -0.06 -0.27 -0.05 1.15 -2.23 0.00 0.00 178.31 176.86 1f4j h THR 58 N -0.37 0.85 -0.54 4.41 2.02 -1.43 0.26 112.91 118.10 1f4j h THR 58 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 1f4j h THR 58 Cb 0.37 0.85 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 1f4j h THR 58 CO -0.07 0.00 0.00 -0.78 0.37 0.00 0.00 175.52 175.05 1f4j h ASP 59 N -0.04 -0.23 -0.01 4.18 3.58 -0.64 0.52 116.42 123.78 1f4j h ASP 59 Ca 0.05 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1f4j h ASP 59 Cb 0.12 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1f4j h ASP 59 CO -0.11 -0.08 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.06 1f4j h GLU 60 N 0.12 0.04 -0.75 0.28 4.81 -1.18 -3.07 114.58 114.82 1f4j h GLU 60 Ca 0.28 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1f4j h GLU 60 Cb 0.43 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1f4j h GLU 60 CO -0.45 0.58 0.45 1.98 -0.73 0.00 0.00 179.01 180.84 1f4j h MET 61 N -0.50 0.82 -0.65 1.92 4.05 0.06 -0.15 114.93 120.48 1f4j h MET 61 Ca 0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1f4j h MET 61 Cb 0.58 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 1f4j h MET 61 CO 0.00 0.54 0.37 0.00 0.23 0.00 0.00 176.91 178.06 1f4j h ALA 62 N 1.36 1.43 -0.12 0.39 0.00 -0.03 0.66 119.26 122.96 1f4j h ALA 62 Ca 0.33 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1f4j h ALA 62 Cb 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1f4j h ALA 62 CO -0.16 0.48 -0.63 1.25 0.00 0.00 0.00 179.25 180.19 1f4j h HIS 63 N 0.90 0.87 -0.81 0.00 6.17 -1.26 -2.95 115.15 118.07 1f4j h HIS 63 Ca 0.23 -0.39 0.09 0.00 0.71 0.00 0.00 60.37 61.02 1f4j h HIS 63 Cb -0.00 -0.13 -0.07 0.00 2.52 0.00 0.00 27.41 29.72 1f4j h HIS 63 CO 0.00 1.19 0.46 0.35 0.71 0.00 0.00 177.93 180.64 1f4j h PHE 64 N 0.30 0.83 0.00 5.26 3.57 -0.52 -0.09 116.94 126.29 1f4j h PHE 64 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1f4j h PHE 64 Cb 1.27 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1f4j h PHE 64 CO 0.10 0.34 0.00 -0.44 -2.23 0.00 0.00 178.31 176.09 1f4j h ASP 65 N 0.78 0.00 -0.08 0.41 3.32 -0.72 -2.64 116.42 117.48 1f4j h ASP 65 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1f4j h ASP 65 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1f4j h ASP 65 CO -0.24 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.82 1f4j n ARG 66 N -2.63 2.24 -0.06 3.56 1.74 -0.09 -4.76 116.66 116.65 1f4j n ARG 66 Ca -0.01 -2.25 0.06 0.00 -0.77 0.00 0.00 57.85 54.88 1f4j n ARG 66 Cb 0.10 -1.38 0.42 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.52 0.56 -6.20 5.56 5.08 -1.06 -3.44 114.58 115.60 1f4j h GLU 67 Ca 0.00 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.75 1f4j h GLU 67 Cb 0.90 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1f4j h GLU 67 CO 0.04 0.37 -0.10 1.03 -1.00 0.00 0.00 179.01 179.35 1f4j s ARG 68 N -5.52 4.05 0.36 2.33 1.81 -1.26 -5.10 118.95 115.63 1f4j s ARG 68 Ca -0.08 0.56 0.07 0.00 -1.72 0.00 0.00 55.73 54.56 1f4j s ARG 68 Cb 0.18 -3.13 -0.07 0.00 -0.45 0.00 0.00 34.95 31.48 1f4j s ARG 68 CO 0.75 0.60 -0.01 0.96 -0.68 0.00 0.00 175.30 176.92 1f4j s ILE 69 N -1.22 1.81 0.43 1.52 -4.36 -1.26 -5.11 121.20 113.01 1f4j s ILE 69 Ca 0.30 -2.05 -0.24 0.00 -0.26 0.00 0.00 60.65 58.41 1f4j s ILE 69 Cb -0.17 -2.83 -0.08 0.00 1.25 0.00 0.00 42.46 40.63 1f4j s ILE 69 CO 0.18 -0.07 1.15 -2.16 0.24 0.00 0.00 174.94 174.28 1f4j s PRO 70 N -3.74 3.90 0.67 0.37 0.04 -1.26 -5.01 135.00 129.97 1f4j s PRO 70 Ca 0.34 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1f4j s PRO 70 Cb 0.08 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1f4j s PRO 70 CO 0.16 -0.43 1.06 -1.83 0.04 0.00 0.00 177.00 176.01 1f4j s GLU 71 N -2.54 3.14 0.31 4.56 -1.05 -1.26 -4.92 118.70 116.94 1f4j s GLU 71 Ca 0.61 0.55 -0.28 0.00 -0.15 0.00 0.00 54.97 55.69 1f4j s GLU 71 Cb -0.28 -2.05 -0.13 0.00 -0.44 0.00 0.00 34.13 31.22 1f4j s GLU 71 CO 0.35 -0.85 1.22 0.54 0.95 0.00 0.00 175.26 177.47 1f4j n ARG 72 N -2.89 1.88 0.29 -4.83 1.74 -1.26 -4.82 116.66 106.76 1f4j n ARG 72 Ca 0.06 0.66 0.17 0.00 -0.77 0.00 0.00 57.85 57.97 1f4j n ARG 72 Cb 0.56 -2.19 0.94 0.00 -1.02 0.00 0.00 32.46 30.75 1f4j n ARG 72 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1f4j h VAL 73 N 2.44 0.43 -3.49 1.55 3.04 -1.98 -3.39 116.25 114.85 1f4j h VAL 73 Ca -0.44 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.16 1f4j h VAL 73 Cb 1.30 0.96 -0.16 0.00 -2.01 0.00 0.00 31.29 31.38 1f4j h VAL 73 CO 0.63 0.00 -0.29 0.68 -1.01 0.00 0.00 177.57 177.59 1f4j s VAL 74 N -4.56 0.10 -1.23 1.51 -7.23 -1.26 -4.91 120.40 102.82 1f4j s VAL 74 Ca -0.05 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.24 1f4j s VAL 74 Cb 0.15 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1f4j s VAL 74 CO 0.52 -0.46 1.05 1.41 -0.31 0.00 0.00 175.10 177.31 1f4j n HIS 75 N 0.35 -2.45 -0.03 2.82 -0.00 -0.42 -4.93 115.22 110.57 1f4j n HIS 75 Ca -0.17 0.94 -0.16 0.00 -0.00 0.00 0.00 57.72 58.32 1f4j n HIS 75 Cb 0.61 -4.92 -0.06 0.00 -0.00 0.00 0.00 29.99 25.62 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 0.92 0.37 -2.39 -1.41 0.00 -1.76 -3.43 119.26 111.56 1f4j h ALA 76 Ca -0.55 -0.59 -0.56 0.00 0.00 0.00 0.00 54.91 53.21 1f4j h ALA 76 Cb 1.34 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1f4j h ALA 76 CO 0.51 0.69 0.40 0.21 0.00 0.00 0.00 179.25 181.06 1f4j s LYS 77 N -3.81 4.42 0.21 0.00 2.47 -1.26 -4.63 119.74 117.13 1f4j s LYS 77 Ca -0.10 1.21 -0.13 0.00 -1.56 0.00 0.00 55.97 55.39 1f4j s LYS 77 Cb 0.09 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1f4j s LYS 77 CO 0.90 -0.21 0.43 0.20 0.16 0.00 0.00 175.35 176.83 1f4j s GLY 78 N 1.05 0.32 0.05 5.54 0.00 -1.26 -2.34 107.32 110.68 1f4j s GLY 78 Ca 0.44 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.54 1f4j s GLY 78 CO 0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 173.10 172.58 1f4j s ALA 79 N -3.96 1.04 0.02 3.20 0.00 -0.21 -4.91 121.76 116.93 1f4j s ALA 79 Ca 0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1f4j s ALA 79 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1f4j s ALA 79 CO 0.02 0.16 0.02 0.20 0.00 0.00 0.00 175.76 176.16 1f4j s GLY 80 N -1.38 0.19 0.29 0.00 0.00 -1.26 -0.16 107.32 105.00 1f4j s GLY 80 Ca -0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1f4j s GLY 80 CO 0.01 -0.56 0.56 0.00 0.00 0.00 0.00 173.10 173.11 1f4j s ALA 81 N -1.50 -0.25 0.14 3.20 0.00 -0.95 -4.35 121.76 118.04 1f4j s ALA 81 Ca -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1f4j s ALA 81 Cb -0.09 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1f4j s ALA 81 CO -0.00 -0.89 -0.09 -0.06 0.00 0.00 0.00 175.76 174.72 1f4j s PHE 82 N -3.55 1.18 0.00 0.00 0.40 0.27 -1.76 117.98 114.52 1f4j s PHE 82 Ca 0.21 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1f4j s PHE 82 Cb -0.02 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.89 1f4j s PHE 82 CO 0.11 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.47 1f4j n GLY 83 N -0.16 1.05 3.48 4.36 0.00 -0.72 -0.84 105.19 112.36 1f4j n GLY 83 Ca -0.11 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 1.36 0.05 -0.08 1.61 -0.85 -0.65 -1.53 117.35 117.26 1f4j s TYR 84 Ca 0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 1f4j s TYR 84 Cb 0.00 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.59 1f4j s TYR 84 CO 0.00 -0.87 -0.19 0.12 -1.52 0.00 0.00 175.55 173.09 1f4j s PHE 85 N -3.91 2.63 -0.07 -3.49 5.36 0.30 -1.36 117.98 117.44 1f4j s PHE 85 Ca 0.12 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1f4j s PHE 85 Cb 0.00 -1.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.00 1f4j s PHE 85 CO -0.01 -0.14 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.49 1f4j s GLU 86 N -0.09 1.74 0.17 10.12 2.12 0.22 -0.86 118.70 132.11 1f4j s GLU 86 Ca -0.04 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1f4j s GLU 86 Cb -0.14 -1.47 -0.08 0.00 0.26 0.00 0.00 34.13 32.71 1f4j s GLU 86 CO 0.04 -0.01 1.17 0.08 -0.54 0.00 0.00 175.26 176.01 1f4j s VAL 87 N 0.78 3.71 -0.00 3.70 1.01 -0.60 0.11 120.40 129.10 1f4j s VAL 87 Ca -0.12 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1f4j s VAL 87 Cb -0.15 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1f4j s VAL 87 CO 0.02 0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.69 1f4j n THR 88 N 2.64 0.00 -4.16 3.92 -2.24 0.40 0.38 114.28 115.22 1f4j n THR 88 Ca 0.04 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1f4j n THR 88 Cb 0.45 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.00 0.87 -0.26 4.78 3.76 -1.00 -4.82 115.29 116.62 1f4j s HIS 89 Ca -0.00 -0.85 -0.23 0.00 -0.15 0.00 0.00 55.06 53.83 1f4j s HIS 89 Cb 0.00 -0.50 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 1f4j s HIS 89 CO 0.00 -0.14 0.76 0.34 -0.85 0.00 0.00 174.74 174.85 1f4j s ASP 90 N -2.84 6.71 -0.08 1.40 -1.08 -1.26 -4.80 116.67 114.73 1f4j s ASP 90 Ca 0.09 0.84 0.14 0.00 -0.52 0.00 0.00 52.55 53.10 1f4j s ASP 90 Cb 0.03 -2.40 0.28 0.00 -1.46 0.00 0.00 42.92 39.37 1f4j s ASP 90 CO -0.04 -0.50 1.13 2.30 0.52 0.00 0.00 175.17 178.59 1f4j n ILE 91 N 5.31 0.98 0.32 4.11 -5.35 -1.26 -4.78 119.36 118.69 1f4j n ILE 91 Ca 0.03 -1.58 0.14 0.00 -0.27 0.00 0.00 62.75 61.07 1f4j n ILE 91 Cb 0.48 0.27 0.60 0.00 -1.74 0.00 0.00 39.64 39.26 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 3.87 0.00 0.00 7.28 1.35 -1.86 -0.80 112.91 122.75 1f4j h THR 92 Ca -0.06 -0.22 -0.02 0.00 -0.55 0.00 0.00 66.41 65.56 1f4j h THR 92 Cb 1.34 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1f4j h THR 92 CO 0.03 0.00 -0.10 0.07 -0.25 0.00 0.00 175.52 175.27 1f4j h LYS 93 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.28 116.57 118.11 1f4j h LYS 93 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.22 1f4j h LYS 93 Cb 0.30 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.56 1f4j h LYS 93 CO 0.00 0.10 -2.51 0.66 -2.00 0.00 0.00 179.45 175.70 1f4j n TYR 94 N -3.29 0.00 -4.45 0.07 4.01 -0.39 -4.65 117.16 108.45 1f4j n TYR 94 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1f4j n TYR 94 Cb 0.32 -0.99 -0.16 0.00 -0.31 0.00 0.00 39.34 38.19 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 -7.02 1.44 0.00 7.72 0.15 -0.70 -1.76 113.70 113.53 1f4j s SER 95 Ca -0.37 -0.23 0.24 0.00 0.70 0.00 0.00 55.95 56.29 1f4j s SER 95 Cb 0.12 -0.57 0.97 0.00 -1.71 0.00 0.00 66.02 64.84 1f4j s SER 95 CO 0.54 0.03 1.68 2.29 1.20 0.00 0.00 173.24 178.99 1f4j n LYS 96 N 3.64 1.59 -1.71 5.44 2.85 0.96 -4.27 118.16 126.67 1f4j n LYS 96 Ca -0.22 -0.88 -0.43 0.00 -1.05 0.00 0.00 58.31 55.74 1f4j n LYS 96 Cb 0.52 -1.43 -0.03 0.00 -0.65 0.00 0.00 35.03 33.45 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 0.08 2.56 -0.10 0.58 0.00 -1.12 -4.79 120.51 117.72 1f4j n ALA 97 Ca 0.18 0.41 0.19 0.00 0.00 0.00 0.00 53.44 54.22 1f4j n ALA 97 Cb 0.30 -2.50 0.61 0.00 0.00 0.00 0.00 19.45 17.87 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 6.68 0.17 -0.16 0.00 1.57 -1.92 -0.71 116.57 122.21 1f4j h LYS 98 Ca -0.43 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1f4j h LYS 98 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1f4j h LYS 98 CO 0.95 0.12 0.17 -0.24 -0.57 0.00 0.00 179.45 179.87 1f4j h VAL 99 N 0.18 0.53 -0.01 0.50 3.04 -1.94 -0.64 116.25 117.92 1f4j h VAL 99 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1f4j h VAL 99 Cb 1.04 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1f4j h VAL 99 CO -0.06 0.00 -0.55 0.49 -1.01 0.00 0.00 177.57 176.44 1f4j n PHE 100 N -3.90 0.00 -0.12 3.17 3.72 -0.30 -4.81 117.46 115.22 1f4j n PHE 100 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1f4j n PHE 100 Cb 0.29 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.73 -0.02 -3.50 -1.08 2.13 -0.25 -4.59 120.64 112.59 1f4j n GLU 101 Ca 0.05 0.52 -0.16 0.00 0.66 0.00 0.00 57.16 58.23 1f4j n GLU 101 Cb 0.30 -0.93 -0.05 0.00 0.27 0.00 0.00 31.44 31.04 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 -4.57 -0.60 0.35 4.31 -3.43 -1.26 -5.02 115.29 105.07 1f4j s HIS 102 Ca -0.03 0.90 -0.29 0.00 -0.80 0.00 0.00 55.06 54.84 1f4j s HIS 102 Cb 0.13 0.45 -0.11 0.00 -1.43 0.00 0.00 32.58 31.62 1f4j s HIS 102 CO 0.29 -0.64 1.49 0.42 -2.00 0.00 0.00 174.74 174.31 1f4j s ILE 103 N -1.77 2.12 0.00 -5.38 1.01 -1.26 -2.22 121.20 113.70 1f4j s ILE 103 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1f4j s ILE 103 Cb -0.00 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1f4j s ILE 103 CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1f4j n GLY 104 N 0.87 0.78 3.72 6.18 0.00 0.16 -4.97 105.19 111.93 1f4j n GLY 104 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.03 4.50 -0.14 1.61 2.20 -0.94 -4.70 119.74 122.23 1f4j s LYS 105 Ca 0.00 1.73 -0.02 0.00 -0.36 0.00 0.00 55.97 57.31 1f4j s LYS 105 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1f4j s LYS 105 CO 0.00 -0.11 -0.07 0.15 -0.36 0.00 0.00 175.35 174.95 1f4j s LYS 106 N 0.49 3.53 -0.04 4.03 1.02 -1.26 -1.56 119.74 125.95 1f4j s LYS 106 Ca 0.55 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 56.00 1f4j s LYS 106 Cb -0.29 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1f4j s LYS 106 CO 0.31 0.25 -0.16 0.99 -0.92 0.00 0.00 175.35 175.83 1f4j s THR 107 N 0.30 1.33 0.40 2.17 2.01 -0.04 -4.94 115.64 116.87 1f4j s THR 107 Ca -0.06 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 1f4j s THR 107 Cb -0.15 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.13 1f4j s THR 107 CO 0.04 0.39 1.25 -2.16 -0.69 0.00 0.00 174.62 173.45 1f4j s PRO 108 N 0.09 4.01 0.09 4.92 0.04 -1.26 0.11 135.00 143.01 1f4j s PRO 108 Ca -0.04 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1f4j s PRO 108 Cb -0.11 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1f4j s PRO 108 CO 0.02 -0.42 -0.12 0.96 0.04 0.00 0.00 177.00 177.49 1f4j s ILE 109 N -1.30 1.04 -0.07 0.56 -4.36 -0.58 -1.63 121.20 114.86 1f4j s ILE 109 Ca 0.57 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 59.44 1f4j s ILE 109 Cb -0.36 -1.29 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 1f4j s ILE 109 CO 0.45 -0.45 -0.19 0.00 0.24 0.00 0.00 174.94 174.99 1f4j s ALA 110 N -2.07 1.77 0.02 2.27 0.00 -0.15 -1.75 121.76 121.85 1f4j s ALA 110 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1f4j s ALA 110 Cb -0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1f4j s ALA 110 CO 0.01 0.27 -0.19 0.08 0.00 0.00 0.00 175.76 175.93 1f4j s VAL 111 N 0.21 1.55 -0.10 0.00 1.01 -0.72 0.25 120.40 122.60 1f4j s VAL 111 Ca -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1f4j s VAL 111 Cb -0.15 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.94 1f4j s VAL 111 CO 0.05 0.29 0.01 -0.60 0.00 0.00 0.00 175.10 174.84 1f4j s ARG 112 N -0.86 0.67 0.31 2.72 3.52 -0.70 -2.25 118.95 122.37 1f4j s ARG 112 Ca 0.07 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1f4j s ARG 112 Cb -0.08 -1.28 -0.03 0.00 -1.56 0.00 0.00 34.95 31.99 1f4j s ARG 112 CO 0.01 -0.38 0.50 -0.06 -0.81 0.00 0.00 175.30 174.56 1f4j s PHE 113 N 1.93 3.49 0.00 5.12 0.08 0.78 -2.10 117.98 127.29 1f4j s PHE 113 Ca 0.04 0.29 -0.29 0.00 0.12 0.00 0.00 56.93 57.09 1f4j s PHE 113 Cb -0.13 -1.84 0.11 0.00 -0.57 0.00 0.00 43.02 40.58 1f4j s PHE 113 CO -0.06 0.20 1.26 -1.54 -0.10 0.00 0.00 175.22 174.98 1f4j s SER 114 N -3.93 -0.03 0.00 1.36 1.04 -1.04 -1.05 113.70 110.05 1f4j s SER 114 Ca 0.39 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1f4j s SER 114 Cb -0.10 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1f4j s SER 114 CO 0.34 -0.36 0.00 0.35 0.98 0.00 0.00 173.24 174.55 1f4j n THR 115 N -0.65 0.00 0.04 2.02 -2.24 -0.99 -0.94 114.28 111.52 1f4j n THR 115 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1f4j n THR 115 Cb 0.61 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.16 0.75 0.06 2.28 0.31 -1.26 -3.69 118.33 116.62 1f4j n VAL 116 Ca 0.00 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1f4j n VAL 116 Cb 0.00 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.22 -2.38 3.52 0.00 -1.93 -1.11 119.26 117.14 1f4j h ALA 117 Ca 0.00 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 1f4j h ALA 117 Cb 0.00 0.08 0.19 0.00 0.00 0.00 0.00 17.79 18.07 1f4j h ALA 117 CO 0.00 -0.31 -0.46 0.41 0.00 0.00 0.00 179.25 178.88 1f4j n GLY 118 N 0.52 -1.69 4.03 0.00 0.00 -1.26 -4.87 105.19 101.92 1f4j n GLY 118 Ca -0.08 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.94 2.31 0.44 1.61 1.03 -1.26 -4.11 118.70 115.78 1f4j s GLU 119 Ca 0.63 -1.65 0.36 0.00 0.03 0.00 0.00 54.97 54.34 1f4j s GLU 119 Cb -0.32 -2.64 1.45 0.00 -0.80 0.00 0.00 34.13 31.82 1f4j s GLU 119 CO 0.61 -0.85 1.42 0.43 -1.33 0.00 0.00 175.26 175.53 1f4j n SER 120 N -2.23 0.12 -0.56 0.83 7.64 -1.26 -0.55 113.62 117.60 1f4j n SER 120 Ca 0.15 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.29 1f4j n SER 120 Cb 0.62 -0.56 0.33 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.62 0.14 3.71 0.23 0.00 -1.26 -4.87 105.19 101.52 1f4j n GLY 121 Ca 0.38 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.15 3.32 0.55 1.61 1.04 0.28 -5.04 113.70 113.31 1f4j s SER 122 Ca 0.31 1.48 -0.15 0.00 0.48 0.00 0.00 55.95 58.07 1f4j s SER 122 Cb 0.20 -2.16 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 1f4j s SER 122 CO 0.39 -2.73 1.01 0.00 0.98 0.00 0.00 173.24 172.88 1f4j s ALA 123 N -2.91 3.01 -0.08 5.32 0.00 -1.26 -4.81 121.76 121.03 1f4j s ALA 123 Ca 0.64 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1f4j s ALA 123 Cb -0.18 -3.13 -0.29 0.00 0.00 0.00 0.00 23.12 19.52 1f4j s ALA 123 CO 0.57 -0.43 0.62 -0.44 0.00 0.00 0.00 175.76 176.08 1f4j h ASP 124 N 0.56 0.48 -0.27 0.00 3.32 -0.69 -3.41 116.42 116.41 1f4j h ASP 124 Ca -0.46 -0.89 -0.70 0.00 0.02 0.00 0.00 57.03 55.00 1f4j h ASP 124 Cb 1.19 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1f4j h ASP 124 CO 0.61 1.67 3.32 0.35 -1.72 0.00 0.00 179.24 183.46 1f4j n THR 125 N -3.82 4.21 -4.44 0.35 -2.24 -1.26 -4.89 114.28 102.19 1f4j n THR 125 Ca -0.24 -3.09 -0.21 0.00 -2.27 0.00 0.00 64.05 58.24 1f4j n THR 125 Cb 0.96 -2.52 -0.10 0.00 -2.10 0.00 0.00 70.33 66.56 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 1.86 1.52 0.02 2.28 -7.23 -1.26 -4.46 120.40 113.14 1f4j s VAL 126 Ca 0.59 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1f4j s VAL 126 Cb 0.16 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1f4j s VAL 126 CO -0.07 -0.22 1.21 -0.60 -0.31 0.00 0.00 175.10 175.11 1f4j s ARG 127 N -3.77 4.40 0.00 4.82 3.52 -1.26 -4.68 118.95 121.98 1f4j s ARG 127 Ca 0.31 1.75 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1f4j s ARG 127 Cb 0.05 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1f4j s ARG 127 CO 0.13 -0.32 0.00 -3.47 -0.81 0.00 0.00 175.30 170.82 1f4j n ASP 128 N 4.36 0.00 -4.39 -2.12 2.03 -1.06 -5.03 116.55 110.35 1f4j n ASP 128 Ca 0.10 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1f4j n ASP 128 Cb 0.46 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.03 1f4j n ASP 128 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1f4j s PRO 129 N -2.00 0.68 -0.07 -0.67 0.02 -1.26 -4.73 135.00 126.97 1f4j s PRO 129 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 61.00 60.98 1f4j s PRO 129 Cb 0.00 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1f4j s PRO 129 CO 0.00 -2.44 -0.15 1.03 -0.33 0.00 0.00 177.00 175.11 1f4j s ARG 130 N -5.59 1.93 0.41 5.54 1.81 -1.26 -4.08 118.95 117.71 1f4j s ARG 130 Ca 0.69 -0.52 -0.23 0.00 -1.72 0.00 0.00 55.73 53.96 1f4j s ARG 130 Cb -0.09 -1.57 -0.10 0.00 -0.45 0.00 0.00 34.95 32.74 1f4j s ARG 130 CO 0.53 0.08 0.98 0.20 -0.68 0.00 0.00 175.30 176.41 1f4j s GLY 131 N 0.52 2.57 -0.45 -3.53 0.00 -0.12 -1.27 107.32 105.04 1f4j s GLY 131 Ca -0.14 0.52 0.06 0.00 0.00 0.00 0.00 44.72 45.17 1f4j s GLY 131 CO 0.04 0.87 0.59 0.33 0.00 0.00 0.00 173.10 174.93 1f4j n PHE 132 N -0.32 -1.93 -3.16 1.90 -0.00 0.10 -2.50 117.46 111.54 1f4j n PHE 132 Ca 0.06 -2.62 -0.39 0.00 -0.00 0.00 0.00 57.45 54.50 1f4j n PHE 132 Cb 0.52 0.64 -0.06 0.00 -0.00 0.00 0.00 39.48 40.58 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 0.04 3.52 -0.11 3.13 0.00 -0.89 -2.96 121.76 124.49 1f4j s ALA 133 Ca 0.33 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1f4j s ALA 133 Cb 0.10 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1f4j s ALA 133 CO -0.15 0.30 -0.10 0.08 0.00 0.00 0.00 175.76 175.88 1f4j s VAL 134 N -0.84 1.17 -0.26 0.00 1.01 -0.48 -1.71 120.40 119.28 1f4j s VAL 134 Ca 0.32 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1f4j s VAL 134 Cb -0.20 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1f4j s VAL 134 CO 0.21 0.38 0.09 -0.75 0.00 0.00 0.00 175.10 175.03 1f4j s LYS 135 N 1.42 3.59 -0.35 2.72 2.20 0.14 -0.65 119.74 128.81 1f4j s LYS 135 Ca 0.00 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 54.96 1f4j s LYS 135 Cb -0.13 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1f4j s LYS 135 CO -0.06 -0.24 0.23 -0.06 -0.36 0.00 0.00 175.35 174.86 1f4j s PHE 136 N 1.62 3.22 -1.03 4.03 0.40 -0.00 -0.97 117.98 125.24 1f4j s PHE 136 Ca 0.06 -0.42 -0.19 0.00 -0.60 0.00 0.00 56.93 55.78 1f4j s PHE 136 Cb -0.16 -2.46 0.11 0.00 0.51 0.00 0.00 43.02 41.02 1f4j s PHE 136 CO 0.04 -0.44 1.31 0.71 0.70 0.00 0.00 175.22 177.54 1f4j s TYR 137 N 1.68 3.01 0.44 0.36 1.51 -0.65 -0.79 117.35 122.91 1f4j s TYR 137 Ca 0.05 -1.41 0.03 0.00 -1.01 0.00 0.00 57.07 54.74 1f4j s TYR 137 Cb -0.18 -4.43 0.01 0.00 -0.11 0.00 0.00 41.96 37.25 1f4j s TYR 137 CO 0.09 -1.61 0.62 0.95 -1.11 0.00 0.00 175.55 174.49 1f4j s THR 138 N 3.18 3.57 -0.69 -0.71 -4.23 -0.94 -4.48 115.64 111.33 1f4j s THR 138 Ca 0.39 -0.75 0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1f4j s THR 138 Cb -0.03 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.77 1f4j s THR 138 CO -0.06 -0.16 1.70 -0.62 -0.54 0.00 0.00 174.62 174.94 1f4j n GLU 139 N -1.98 0.15 -1.19 3.99 4.71 -1.26 -1.76 120.64 123.31 1f4j n GLU 139 Ca 0.03 0.30 -0.20 0.00 -0.01 0.00 0.00 57.16 57.28 1f4j n GLU 139 Cb 0.58 -1.75 0.21 0.00 -1.01 0.00 0.00 31.44 29.48 1f4j n GLU 139 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1f4j n ASP 140 N -2.02 4.02 0.00 1.62 8.00 -1.26 -4.57 116.55 122.34 1f4j n ASP 140 Ca 0.04 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 52.02 1f4j n ASP 140 Cb 0.28 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1f4j n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4j n GLY 141 N -0.91 0.17 3.81 0.44 0.00 -0.72 -4.62 105.19 103.36 1f4j n GLY 141 Ca 0.56 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.89 6.96 -0.24 1.61 -0.87 -1.26 -2.22 114.94 118.04 1f4j s ASN 142 Ca 0.00 1.76 0.01 0.00 -1.57 0.00 0.00 52.86 53.06 1f4j s ASN 142 Cb 0.00 -2.55 0.06 0.00 -0.02 0.00 0.00 41.25 38.74 1f4j s ASN 142 CO 0.00 -0.34 -0.06 0.86 -2.57 0.00 0.00 177.10 174.99 1f4j s TRP 143 N -2.01 2.47 -0.30 2.20 -0.00 0.03 -4.18 118.94 117.16 1f4j s TRP 143 Ca 0.60 -1.81 -0.12 0.00 -0.00 0.00 0.00 56.10 54.77 1f4j s TRP 143 Cb -0.12 -1.61 -0.04 0.00 -0.00 0.00 0.00 33.47 31.70 1f4j s TRP 143 CO 0.17 -0.78 0.23 -0.51 -0.00 0.00 0.00 176.95 176.06 1f4j s ASP 144 N 1.37 6.07 -0.64 5.86 -0.00 -0.73 -0.82 116.67 127.77 1f4j s ASP 144 Ca -0.06 -0.08 -0.05 0.00 -0.00 0.00 0.00 52.55 52.35 1f4j s ASP 144 Cb -0.19 -2.14 0.17 0.00 -0.00 0.00 0.00 42.92 40.76 1f4j s ASP 144 CO -0.06 -0.12 0.48 -0.22 -0.00 0.00 0.00 175.17 175.25 1f4j s LEU 145 N 1.80 5.56 -1.09 1.23 2.96 0.18 -4.46 118.68 124.86 1f4j s LEU 145 Ca 0.08 -2.71 -0.18 0.00 -0.22 0.00 0.00 54.13 51.10 1f4j s LEU 145 Cb -0.16 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.72 1f4j s LEU 145 CO 0.11 -0.44 1.37 -0.69 -1.32 0.00 0.00 176.35 175.38 1f4j s VAL 146 N 0.15 4.62 0.11 1.68 1.01 -1.26 -1.39 120.40 125.32 1f4j s VAL 146 Ca 0.16 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1f4j s VAL 146 Cb -0.19 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.27 1f4j s VAL 146 CO -0.04 -1.69 0.03 0.61 0.00 0.00 0.00 175.10 174.01 1f4j n GLY 147 N 5.23 3.66 0.00 4.51 0.00 -1.16 -4.93 105.19 112.50 1f4j n GLY 147 Ca 0.33 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.41 0.28 -0.61 1.61 0.23 -0.90 0.01 115.26 114.47 1f4j n ASN 148 Ca -0.03 -0.69 0.05 0.00 -0.53 0.00 0.00 54.58 53.39 1f4j n ASN 148 Cb 0.13 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 37.98 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 -1.87 1.77 -4.14 0.53 6.94 -0.40 -0.97 115.26 117.13 1f4j n ASN 149 Ca 0.00 -2.00 -0.22 0.00 -0.02 0.00 0.00 54.58 52.34 1f4j n ASN 149 Cb 0.00 -0.22 -0.15 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.56 1.20 -0.04 5.53 -1.32 -1.26 -4.67 115.64 113.52 1f4j s THR 150 Ca 0.22 -0.78 0.29 0.00 -1.21 0.00 0.00 61.69 60.21 1f4j s THR 150 Cb 0.12 -1.02 0.34 0.00 -1.51 0.00 0.00 72.50 70.42 1f4j s THR 150 CO 0.15 0.23 1.85 1.55 -2.21 0.00 0.00 174.62 176.19 1f4j h PRO 151 N 5.47 0.00 -5.22 7.08 0.13 -1.93 -3.43 132.00 134.11 1f4j h PRO 151 Ca -0.36 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 1f4j h PRO 151 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 1f4j h PRO 151 CO 0.47 0.06 -0.48 0.96 -0.23 0.00 0.00 178.00 178.78 1f4j s ILE 152 N -3.53 1.10 0.34 -3.56 -4.36 -1.26 -4.34 121.20 105.58 1f4j s ILE 152 Ca 0.03 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1f4j s ILE 152 Cb 0.08 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 1f4j s ILE 152 CO 0.60 0.00 0.22 0.12 0.24 0.00 0.00 174.94 176.12 1f4j s PHE 153 N -2.89 1.70 0.20 1.37 5.36 -0.83 -4.99 117.98 117.91 1f4j s PHE 153 Ca 0.05 -1.53 0.05 0.00 -0.96 0.00 0.00 56.93 54.54 1f4j s PHE 153 Cb 0.00 -0.82 0.12 0.00 -0.34 0.00 0.00 43.02 41.99 1f4j s PHE 153 CO 0.03 -0.69 1.47 0.74 -1.46 0.00 0.00 175.22 175.31 1f4j h PHE 154 N 2.10 0.21 -3.75 10.12 0.04 -1.89 -3.38 116.94 120.39 1f4j h PHE 154 Ca -0.29 -0.10 -0.29 0.00 2.80 0.00 0.00 57.97 60.09 1f4j h PHE 154 Cb 1.24 -0.03 -0.15 0.00 2.20 0.00 0.00 35.95 39.22 1f4j h PHE 154 CO 1.50 0.85 -0.66 0.96 -0.60 0.00 0.00 178.31 180.36 1f4j s ILE 155 N -3.41 0.69 -0.09 -0.55 -4.36 -1.26 -2.74 121.20 109.49 1f4j s ILE 155 Ca -0.03 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1f4j s ILE 155 Cb 0.11 -2.14 0.09 0.00 1.25 0.00 0.00 42.46 41.77 1f4j s ILE 155 CO 0.81 -0.46 1.05 -2.11 0.24 0.00 0.00 174.94 174.47 1f4j n ARG 156 N -0.25 2.64 -3.84 0.37 1.85 -1.26 -4.63 116.66 111.54 1f4j n ARG 156 Ca -0.06 -1.78 -0.21 0.00 -1.00 0.00 0.00 57.85 54.79 1f4j n ARG 156 Cb 0.63 -1.13 -0.17 0.00 -1.05 0.00 0.00 32.46 30.74 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 -1.41 1.28 0.55 2.89 -1.08 -1.26 -4.18 116.67 113.47 1f4j s ASP 157 Ca 0.09 -0.07 0.29 0.00 -0.52 0.00 0.00 52.55 52.34 1f4j s ASP 157 Cb 0.07 -0.38 1.46 0.00 -1.46 0.00 0.00 42.92 42.61 1f4j s ASP 157 CO 0.02 -0.16 1.93 1.55 0.52 0.00 0.00 175.17 179.02 1f4j h PRO 158 N 8.02 0.00 0.00 4.34 0.13 -1.86 -2.21 132.00 140.41 1f4j h PRO 158 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f4j h PRO 158 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1f4j h PRO 158 CO 0.31 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.59 1f4j n ILE 159 N -4.11 1.30 0.85 -3.56 3.06 -1.26 -1.66 119.36 113.98 1f4j n ILE 159 Ca 0.12 0.33 0.10 0.00 -2.50 0.00 0.00 62.75 60.80 1f4j n ILE 159 Cb 0.74 -1.16 0.01 0.00 0.54 0.00 0.00 39.64 39.77 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 -1.52 1.98 -0.31 9.51 4.32 -0.83 -4.55 117.00 125.59 1f4j n LEU 160 Ca 0.02 -0.80 -0.05 0.00 -0.02 0.00 0.00 56.01 55.16 1f4j n LEU 160 Cb 0.12 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.00 1f4j n LEU 160 CO 0.10 0.36 1.11 0.15 -1.22 0.00 0.00 177.39 177.89 1f4j h PHE 161 N 2.43 1.24 -0.36 -1.77 3.04 -1.46 0.12 116.94 120.18 1f4j h PHE 161 Ca 0.00 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 1f4j h PHE 161 Cb 0.69 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1f4j h PHE 161 CO 0.00 0.89 0.02 -1.35 -2.02 0.00 0.00 178.31 175.85 1f4j h PRO 162 N 1.22 0.63 0.03 6.41 0.11 -1.80 -0.87 132.00 137.72 1f4j h PRO 162 Ca 0.29 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1f4j h PRO 162 Cb 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1f4j h PRO 162 CO -0.04 0.72 -0.04 0.77 -0.21 0.00 0.00 178.00 179.21 1f4j h SER 163 N 0.45 -0.11 -0.15 -2.05 0.02 -1.78 0.24 113.55 110.16 1f4j h SER 163 Ca 0.10 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1f4j h SER 163 Cb 0.43 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1f4j h SER 163 CO 0.02 -0.06 -0.24 0.15 -1.14 0.00 0.00 176.83 175.55 1f4j h PHE 164 N -0.08 -0.63 -0.80 3.45 3.57 -0.68 0.65 116.94 122.41 1f4j h PHE 164 Ca 0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1f4j h PHE 164 Cb 0.09 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1f4j h PHE 164 CO -0.10 -0.32 0.51 0.82 -2.23 0.00 0.00 178.31 176.99 1f4j h ILE 165 N -0.29 1.11 -0.38 1.41 1.08 -0.87 -0.97 117.51 118.59 1f4j h ILE 165 Ca 0.11 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1f4j h ILE 165 Cb 0.45 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1f4j h ILE 165 CO -0.32 0.18 0.19 0.45 -0.69 0.00 0.00 178.15 177.96 1f4j h HIS 166 N 0.98 0.36 0.00 1.37 3.86 0.58 -1.29 115.15 121.00 1f4j h HIS 166 Ca 0.33 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1f4j h HIS 166 Cb 0.04 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1f4j h HIS 166 CO -0.03 0.19 -0.05 0.66 0.86 0.00 0.00 177.93 179.56 1f4j h SER 167 N 0.39 0.00 1.27 2.45 4.64 0.19 -1.32 113.55 121.16 1f4j h SER 167 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1f4j h SER 167 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1f4j h SER 167 CO -0.11 0.05 -0.51 1.56 -0.87 0.00 0.00 176.83 176.95 1f4j h GLN 168 N 0.00 0.00 0.00 4.77 1.08 -0.21 -3.17 115.11 117.58 1f4j h GLN 168 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1f4j h GLN 168 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1f4j h GLN 168 CO 0.01 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.52 1f4j n LYS 169 N -2.56 3.31 -3.39 1.46 4.76 -0.50 -4.90 118.16 116.34 1f4j n LYS 169 Ca 0.03 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.13 1f4j n LYS 169 Cb 0.50 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.63 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 2.04 3.89 0.23 1.97 0.52 -1.26 -4.27 118.95 122.07 1f4j s ARG 170 Ca 0.00 0.38 -0.32 0.00 -0.52 0.00 0.00 55.73 55.28 1f4j s ARG 170 Cb 0.00 -2.82 -0.12 0.00 0.52 0.00 0.00 34.95 32.53 1f4j s ARG 170 CO 0.00 0.42 1.62 -1.71 0.02 0.00 0.00 175.30 175.64 1f4j n ASN 171 N 0.43 3.62 0.29 0.23 2.85 0.36 -4.83 115.26 118.21 1f4j n ASN 171 Ca -0.03 1.10 0.19 0.00 -0.11 0.00 0.00 54.58 55.73 1f4j n ASN 171 Cb 0.52 -1.53 0.97 0.00 1.24 0.00 0.00 39.78 40.97 1f4j n ASN 171 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1f4j h PRO 172 N 5.65 0.00 0.00 1.20 0.13 -1.96 0.10 132.00 137.12 1f4j h PRO 172 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1f4j h PRO 172 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1f4j h PRO 172 CO 0.87 0.00 -2.04 0.94 -0.23 0.00 0.00 178.00 177.53 1f4j n GLN 173 N -3.35 0.49 0.18 0.86 7.27 -1.26 -4.66 117.38 116.91 1f4j n GLN 173 Ca -0.01 0.21 0.08 0.00 0.07 0.00 0.00 57.00 57.35 1f4j n GLN 173 Cb 0.24 -1.33 0.10 0.00 2.41 0.00 0.00 30.24 31.65 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 -0.85 0.36 -2.52 1.69 1.35 -1.96 -3.47 112.91 107.50 1f4j h THR 174 Ca -0.49 -1.52 -0.31 0.00 -0.55 0.00 0.00 66.41 63.55 1f4j h THR 174 Cb 1.40 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1f4j h THR 174 CO -0.30 0.21 -0.41 1.57 -0.25 0.00 0.00 175.52 176.34 1f4j n HIS 175 N -3.13 -0.92 -4.41 4.73 -0.00 0.35 -4.96 115.22 106.87 1f4j n HIS 175 Ca 0.03 0.10 -0.24 0.00 0.46 0.00 0.00 57.72 58.07 1f4j n HIS 175 Cb 0.62 -3.31 -0.09 0.00 -0.12 0.00 0.00 29.99 27.09 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 -4.60 2.79 0.49 0.27 1.43 -1.26 -4.73 118.68 113.06 1f4j s LEU 176 Ca 0.06 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.03 1f4j s LEU 176 Cb -0.03 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 1f4j s LEU 176 CO 0.07 0.03 1.26 -0.54 0.23 0.00 0.00 176.35 177.40 1f4j s LYS 177 N -3.56 3.55 -0.32 1.70 -0.14 -1.26 -0.49 119.74 119.22 1f4j s LYS 177 Ca 0.30 2.01 -0.01 0.00 -1.36 0.00 0.00 55.97 56.91 1f4j s LYS 177 Cb -0.05 -2.40 0.10 0.00 -1.68 0.00 0.00 37.83 33.80 1f4j s LYS 177 CO 0.17 -0.79 0.12 0.34 -0.76 0.00 0.00 175.35 174.42 1f4j s ASP 178 N -1.11 3.90 0.38 2.83 3.68 -1.26 -4.84 116.67 120.25 1f4j s ASP 178 Ca 0.66 -1.68 0.14 0.00 2.13 0.00 0.00 52.55 53.80 1f4j s ASP 178 Cb -0.35 -0.79 0.97 0.00 -1.45 0.00 0.00 42.92 41.30 1f4j s ASP 178 CO 0.42 -0.41 1.82 -0.65 0.13 0.00 0.00 175.17 176.48 1f4j h PRO 179 N 8.01 0.52 -0.71 4.34 0.11 -1.92 0.24 132.00 142.58 1f4j h PRO 179 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1f4j h PRO 179 Cb 1.01 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1f4j h PRO 179 CO 0.46 0.34 0.45 -0.44 -0.21 0.00 0.00 178.00 178.60 1f4j h ASP 180 N 0.53 0.83 -0.16 -2.05 3.32 -1.93 -0.99 116.42 115.98 1f4j h ASP 180 Ca 0.52 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 1f4j h ASP 180 Cb 1.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1f4j h ASP 180 CO -0.25 0.63 0.03 0.24 -1.72 0.00 0.00 179.24 178.16 1f4j h MET 181 N 0.97 0.26 0.20 3.56 2.86 -0.86 -0.51 114.93 121.40 1f4j h MET 181 Ca 0.26 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1f4j h MET 181 Cb -0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1f4j h MET 181 CO -0.05 0.43 -0.41 0.28 1.06 0.00 0.00 176.91 178.22 1f4j h VAL 182 N 0.04 0.00 0.00 -2.22 2.07 -1.04 -2.78 116.25 112.33 1f4j h VAL 182 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1f4j h VAL 182 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1f4j h VAL 182 CO 0.00 0.00 -0.45 -0.50 0.02 0.00 0.00 177.57 176.64 1f4j h TRP 183 N -0.66 0.00 -0.34 1.57 4.06 -1.23 -2.26 115.95 117.09 1f4j h TRP 183 Ca -0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1f4j h TRP 183 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1f4j h TRP 183 CO -0.35 0.45 0.11 0.22 -3.56 0.00 0.00 178.44 175.32 1f4j h ASP 184 N 0.00 0.49 -0.09 -3.49 3.58 -1.08 0.24 116.42 116.06 1f4j h ASP 184 Ca -0.00 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1f4j h ASP 184 Cb 1.10 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1f4j h ASP 184 CO 0.06 0.56 0.04 0.15 -2.88 0.00 0.00 179.24 177.16 1f4j h PHE 185 N 0.40 0.14 -0.48 0.28 3.57 -1.43 -1.32 116.94 118.10 1f4j h PHE 185 Ca 0.11 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1f4j h PHE 185 Cb 0.24 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1f4j h PHE 185 CO 0.01 0.25 0.16 -1.49 -2.23 0.00 0.00 178.31 175.00 1f4j h TRP 186 N -0.01 0.77 -0.24 0.41 6.55 -1.28 -0.11 115.95 122.03 1f4j h TRP 186 Ca 0.03 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.74 1f4j h TRP 186 Cb 0.17 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 1f4j h TRP 186 CO -0.02 0.67 -0.10 0.66 -1.05 0.00 0.00 178.44 178.60 1f4j h SER 187 N 0.64 0.37 1.53 -3.49 4.64 -0.47 -1.89 113.55 114.89 1f4j h SER 187 Ca 0.16 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1f4j h SER 187 Cb 0.26 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1f4j h SER 187 CO -0.01 0.52 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.16 1f4j h LEU 188 N 0.37 0.00 -6.82 5.97 3.38 -0.93 -3.36 115.31 113.92 1f4j h LEU 188 Ca 0.07 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.43 1f4j h LEU 188 Cb 0.41 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.75 1f4j h LEU 188 CO 0.02 0.24 -0.63 0.54 0.09 0.00 0.00 178.44 178.70 1f4j n ARG 189 N -3.20 1.75 0.06 1.13 5.12 -0.08 -4.95 116.66 116.49 1f4j n ARG 189 Ca 0.02 -4.35 0.04 0.00 -1.93 0.00 0.00 57.85 51.63 1f4j n ARG 189 Cb 0.58 -2.19 0.23 0.00 -1.16 0.00 0.00 32.46 29.92 1f4j n ARG 189 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1f4j n PRO 190 N 1.84 0.05 0.18 5.56 -0.04 -1.15 -1.52 135.00 139.92 1f4j n PRO 190 Ca 0.23 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 1f4j n PRO 190 Cb 0.38 -1.69 0.65 0.00 -0.04 0.00 0.00 33.50 32.80 1f4j n PRO 190 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1f4j h GLU 191 N 0.00 0.00 0.00 0.54 9.09 -1.86 0.89 114.58 123.24 1f4j h GLU 191 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1f4j h GLU 191 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1f4j h GLU 191 CO 0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 1f4j n SER 192 N -2.42 0.00 -0.02 3.06 3.41 -0.58 -4.00 113.62 113.08 1f4j n SER 192 Ca -0.00 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 1f4j n SER 192 Cb 0.12 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.50 -0.01 1.04 3.38 -1.06 -0.08 115.31 118.09 1f4j h LEU 193 Ca 0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1f4j h LEU 193 Cb 0.20 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1f4j h LEU 193 CO 0.00 -0.20 -0.22 -0.74 0.09 0.00 0.00 178.44 177.37 1f4j h HIS 194 N -0.18 -0.58 0.00 1.13 2.76 -1.81 -1.92 115.15 114.55 1f4j h HIS 194 Ca 0.11 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 1f4j h HIS 194 Cb 0.34 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 1f4j h HIS 194 CO -0.29 -0.30 -0.61 0.37 -1.30 0.00 0.00 177.93 175.80 1f4j h GLN 195 N -0.34 0.00 0.00 5.26 5.75 -1.72 -2.62 115.11 121.44 1f4j h GLN 195 Ca 0.06 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1f4j h GLN 195 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1f4j h GLN 195 CO -0.21 0.61 -0.27 0.28 -2.65 0.00 0.00 178.83 176.60 1f4j h VAL 196 N 0.00 1.19 -0.08 2.39 2.07 -0.79 0.47 116.25 121.50 1f4j h VAL 196 Ca -0.01 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 1f4j h VAL 196 Cb 1.09 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1f4j h VAL 196 CO 0.08 0.26 -0.39 0.28 0.02 0.00 0.00 177.57 177.82 1f4j h SER 197 N 0.00 0.48 -0.70 0.57 0.02 -1.07 -2.63 113.55 110.22 1f4j h SER 197 Ca -0.00 -0.65 -0.07 0.00 -0.84 0.00 0.00 61.79 60.23 1f4j h SER 197 Cb 0.48 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1f4j h SER 197 CO 0.03 1.05 0.18 0.15 -1.14 0.00 0.00 176.83 177.11 1f4j h PHE 198 N -0.06 1.17 0.00 3.45 3.04 -1.15 -2.45 116.94 120.94 1f4j h PHE 198 Ca -0.03 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 61.74 1f4j h PHE 198 Cb 1.04 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1f4j h PHE 198 CO 0.12 0.95 -0.24 1.25 -2.02 0.00 0.00 178.31 178.37 1f4j h LEU 199 N 1.05 0.00 -1.62 0.59 5.85 -0.92 -2.70 115.31 117.56 1f4j h LEU 199 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1f4j h LEU 199 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1f4j h LEU 199 CO 0.00 0.24 -0.06 0.49 -0.34 0.00 0.00 178.44 178.77 1f4j n PHE 200 N -4.17 0.00 -1.78 1.25 3.01 -0.99 -3.85 117.46 110.93 1f4j n PHE 200 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 1f4j n PHE 200 Cb 0.30 -0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.98 1f4j n PHE 200 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1f4j n SER 201 N 0.94 -0.29 -0.13 4.37 3.41 -0.94 -4.42 113.62 116.56 1f4j n SER 201 Ca 0.14 -1.43 0.18 0.00 -0.26 0.00 0.00 58.87 57.50 1f4j n SER 201 Cb 0.54 -1.03 0.57 0.00 -0.26 0.00 0.00 64.21 64.03 1f4j n SER 201 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1f4j h ASP 202 N -1.95 0.26 0.00 4.04 3.32 -1.90 -0.70 116.42 119.49 1f4j h ASP 202 Ca -0.43 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1f4j h ASP 202 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1f4j h ASP 202 CO 0.30 0.13 0.00 0.54 -1.72 0.00 0.00 179.24 178.49 1f4j n ARG 203 N -4.44 0.45 0.26 3.56 1.74 -1.26 -2.94 116.66 114.04 1f4j n ARG 203 Ca 0.14 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.36 1f4j n ARG 203 Cb 0.59 -1.46 0.69 0.00 -1.02 0.00 0.00 32.46 31.25 1f4j n ARG 203 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1f4j h GLY 204 N 2.29 0.00 -6.69 -0.13 0.00 -1.22 -3.36 103.07 93.96 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 -3.86 0.86 0.57 2.60 1.01 -1.15 -2.55 121.20 118.68 1f4j s ILE 205 Ca -0.01 -2.51 -0.18 0.00 0.00 0.00 0.00 60.65 57.95 1f4j s ILE 205 Cb 0.11 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1f4j s ILE 205 CO 0.57 -1.04 1.12 -2.16 0.00 0.00 0.00 174.94 173.43 1f4j s PRO 206 N 0.29 3.25 -1.20 2.79 0.04 -1.26 -0.84 135.00 138.07 1f4j s PRO 206 Ca 0.23 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1f4j s PRO 206 Cb -0.13 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1f4j s PRO 206 CO -0.07 -0.92 1.58 0.34 0.04 0.00 0.00 177.00 177.97 1f4j s ASP 207 N -1.96 6.81 0.00 6.66 3.68 -0.06 -4.52 116.67 127.28 1f4j s ASP 207 Ca 0.71 -2.34 0.00 0.00 2.13 0.00 0.00 52.55 53.05 1f4j s ASP 207 Cb -0.23 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 1f4j s ASP 207 CO 0.30 -1.14 0.00 0.61 0.13 0.00 0.00 175.17 175.07 1f4j n GLY 208 N 5.43 -2.72 0.11 2.66 0.00 -1.26 -4.20 105.19 105.20 1f4j n GLY 208 Ca 0.42 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.00 0.00 1.61 3.86 -1.88 -3.35 115.15 115.39 1f4j h HIS 209 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f4j h HIS 209 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1f4j h HIS 209 CO 0.00 0.42 0.00 0.54 0.86 0.00 0.00 177.93 179.75 1f4j n ARG 210 N -2.92 0.03 -2.02 2.45 1.74 -1.26 -3.84 116.66 110.84 1f4j n ARG 210 Ca -0.05 0.09 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1f4j n ARG 210 Cb 0.75 -1.54 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1f4j n ARG 210 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1f4j n HIS 211 N -1.59 3.10 -4.05 -1.55 8.25 -1.26 -4.47 115.22 113.65 1f4j n HIS 211 Ca 0.06 -2.68 -0.10 0.00 -0.26 0.00 0.00 57.72 54.74 1f4j n HIS 211 Cb 0.30 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 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 -3.72 1.25 0.38 -0.41 0.23 -1.25 -2.53 119.30 113.25 1f4j s MET 212 Ca 0.53 -1.33 0.08 0.00 -1.03 0.00 0.00 55.69 53.93 1f4j s MET 212 Cb 0.43 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 34.07 1f4j s MET 212 CO -0.13 -0.46 0.36 -0.80 -2.03 0.00 0.00 175.02 171.95 1f4j s ASN 213 N -3.04 5.24 0.13 -1.18 0.01 -1.26 -3.76 114.94 111.09 1f4j s ASN 213 Ca 0.25 -0.59 0.10 0.00 -0.71 0.00 0.00 52.86 51.91 1f4j s ASN 213 Cb 0.04 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 1f4j s ASN 213 CO 0.06 -0.51 -0.24 -0.83 -1.51 0.00 0.00 177.10 174.06 1f4j s GLY 214 N -4.09 1.48 -0.05 0.66 0.00 0.35 -3.99 107.32 101.70 1f4j s GLY 214 Ca 0.45 -1.43 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 1f4j s GLY 214 CO 0.28 -1.43 0.22 -0.19 0.00 0.00 0.00 173.10 171.98 1f4j s TYR 215 N -1.28 -0.16 -0.49 1.90 2.02 -0.14 -1.57 117.35 117.63 1f4j s TYR 215 Ca 0.13 0.34 0.25 0.00 -0.37 0.00 0.00 57.07 57.42 1f4j s TYR 215 Cb -0.09 0.05 0.64 0.00 -0.40 0.00 0.00 41.96 42.15 1f4j s TYR 215 CO 0.06 -0.23 1.71 0.78 -1.57 0.00 0.00 175.55 176.30 1f4j h GLY 216 N 4.96 0.00 0.00 0.71 0.00 -1.73 -2.38 103.07 104.63 1f4j h GLY 216 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1f4j h GLY 216 CO 0.38 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.36 1f4j n SER 217 N -2.76 0.00 -4.57 0.19 7.64 -1.26 -4.73 113.62 108.13 1f4j n SER 217 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 1f4j n SER 217 Cb 0.46 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.48 -0.08 1.43 3.76 -1.26 -4.84 115.29 115.78 1f4j s HIS 218 Ca 0.00 1.42 -0.16 0.00 -0.15 0.00 0.00 55.06 56.17 1f4j s HIS 218 Cb 0.00 -3.19 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 1f4j s HIS 218 CO 0.00 -3.43 0.43 0.99 -0.85 0.00 0.00 174.74 171.88 1f4j s THR 219 N -2.55 5.14 0.47 1.30 2.01 -1.26 -4.61 115.64 116.14 1f4j s THR 219 Ca 0.68 0.86 0.05 0.00 0.31 0.00 0.00 61.69 63.58 1f4j s THR 219 Cb -0.24 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1f4j s THR 219 CO 0.62 0.42 0.11 -0.36 -0.69 0.00 0.00 174.62 174.72 1f4j s PHE 220 N 0.02 2.17 -0.15 4.92 0.40 -0.14 -3.65 117.98 121.54 1f4j s PHE 220 Ca 0.24 -0.78 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1f4j s PHE 220 Cb -0.15 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.59 1f4j s PHE 220 CO 0.10 0.17 -0.14 0.21 0.70 0.00 0.00 175.22 176.26 1f4j s LYS 221 N -3.90 3.26 -0.11 0.44 2.20 0.69 -0.60 119.74 121.72 1f4j s LYS 221 Ca 0.26 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 1f4j s LYS 221 Cb 0.04 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1f4j s LYS 221 CO 0.14 0.04 0.07 -0.51 -0.36 0.00 0.00 175.35 174.74 1f4j s LEU 222 N 0.76 3.99 -0.09 5.43 1.43 0.56 -0.18 118.68 130.60 1f4j s LEU 222 Ca -0.06 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1f4j s LEU 222 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1f4j s LEU 222 CO 0.01 0.37 -0.12 -0.69 0.23 0.00 0.00 176.35 176.15 1f4j s VAL 223 N -0.81 1.20 0.55 -1.59 1.01 -0.40 -1.41 120.40 118.95 1f4j s VAL 223 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1f4j s VAL 223 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1f4j s VAL 223 CO 0.03 0.38 0.79 0.54 0.00 0.00 0.00 175.10 176.84 1f4j s ASN 224 N 0.97 5.30 0.59 3.32 2.20 -0.72 -0.02 114.94 126.57 1f4j s ASN 224 Ca -0.08 0.09 0.29 0.00 -0.94 0.00 0.00 52.86 52.21 1f4j s ASN 224 Cb -0.15 -1.00 1.40 0.00 -2.00 0.00 0.00 41.25 39.51 1f4j s ASN 224 CO -0.00 -1.13 1.81 0.00 -2.94 0.00 0.00 177.10 174.83 1f4j h ALA 225 N 0.04 2.31 -0.00 3.54 0.00 -1.88 0.34 119.26 123.61 1f4j h ALA 225 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1f4j h ALA 225 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1f4j h ALA 225 CO 0.54 -0.89 -0.18 0.09 0.00 0.00 0.00 179.25 178.81 1f4j n ASN 226 N -3.64 0.28 0.00 0.00 5.03 -1.26 -4.91 115.26 110.76 1f4j n ASN 226 Ca 0.11 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1f4j n ASN 226 Cb 0.81 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 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 1.43 0.62 3.89 7.41 0.00 0.12 -5.05 105.19 113.61 1f4j n GLY 227 Ca 0.09 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.80 3.67 0.22 1.61 2.02 -1.26 -4.89 118.70 119.28 1f4j s GLU 228 Ca 0.00 0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.09 1f4j s GLU 228 Cb 0.00 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 1f4j s GLU 228 CO 0.00 0.46 -0.16 0.00 0.02 0.00 0.00 175.26 175.58 1f4j s ALA 229 N -1.64 2.17 0.12 5.21 0.00 -1.26 -2.03 121.76 124.32 1f4j s ALA 229 Ca 0.41 -1.71 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 1f4j s ALA 229 Cb -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1f4j s ALA 229 CO 0.23 0.11 0.29 0.14 0.00 0.00 0.00 175.76 176.54 1f4j s VAL 230 N -2.87 0.10 0.05 0.00 -7.23 -0.50 -4.66 120.40 105.30 1f4j s VAL 230 Ca 0.24 -0.96 -0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1f4j s VAL 230 Cb -0.02 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1f4j s VAL 230 CO 0.09 -0.46 0.20 -0.31 -0.31 0.00 0.00 175.10 174.30 1f4j s TYR 231 N -3.85 3.51 0.25 2.82 2.02 -0.09 -0.32 117.35 121.68 1f4j s TYR 231 Ca 0.06 0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.99 1f4j s TYR 231 Cb 0.03 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1f4j s TYR 231 CO -0.10 0.59 0.28 0.00 -1.57 0.00 0.00 175.55 174.76 1f4j s LYS 233 N -3.86 0.96 -0.13 0.00 -0.14 -0.86 -0.97 119.74 114.74 1f4j s LYS 233 Ca 0.34 -0.50 -0.06 0.00 -1.36 0.00 0.00 55.97 54.39 1f4j s LYS 233 Cb 0.03 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 35.21 1f4j s LYS 233 CO 0.15 0.25 0.09 -0.06 -0.76 0.00 0.00 175.35 175.02 1f4j s PHE 234 N -0.40 3.40 0.00 3.18 0.08 -1.26 -1.94 117.98 121.03 1f4j s PHE 234 Ca 0.04 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.42 1f4j s PHE 234 Cb -0.05 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1f4j s PHE 234 CO -0.00 0.50 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.60 1f4j s HIS 235 N -0.55 0.12 -0.22 0.36 3.76 -0.62 -2.10 115.29 116.04 1f4j s HIS 235 Ca 0.11 -0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.93 1f4j s HIS 235 Cb -0.12 -0.08 0.08 0.00 1.11 0.00 0.00 32.58 33.57 1f4j s HIS 235 CO 0.02 -0.01 0.13 1.52 -0.85 0.00 0.00 174.74 175.55 1f4j s TYR 236 N -0.10 0.12 0.05 1.40 1.13 -0.61 0.20 117.35 119.55 1f4j s TYR 236 Ca -0.00 -0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 55.04 1f4j s TYR 236 Cb -0.01 -0.69 -0.06 0.00 -1.10 0.00 0.00 41.96 40.10 1f4j s TYR 236 CO -0.00 -0.65 0.64 0.15 -2.51 0.00 0.00 175.55 173.18 1f4j s LYS 237 N 2.17 4.34 0.07 -3.49 -0.14 0.24 -0.49 119.74 122.44 1f4j s LYS 237 Ca 0.05 0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 55.20 1f4j s LYS 237 Cb -0.16 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.60 1f4j s LYS 237 CO -0.19 0.47 1.86 -0.08 -0.76 0.00 0.00 175.35 176.65 1f4j s THR 238 N -0.60 2.87 -0.93 2.17 -1.32 -1.25 -0.25 115.64 116.34 1f4j s THR 238 Ca 0.32 0.12 0.23 0.00 -1.21 0.00 0.00 61.69 61.15 1f4j s THR 238 Cb -0.20 -3.08 0.20 0.00 -1.51 0.00 0.00 72.50 67.91 1f4j s THR 238 CO 0.20 -0.01 1.71 0.47 -2.21 0.00 0.00 174.62 174.79 1f4j n ASP 239 N 6.62 0.14 -0.42 8.08 8.00 0.47 -2.24 116.55 137.20 1f4j n ASP 239 Ca 0.19 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1f4j n ASP 239 Cb 0.40 -0.56 0.23 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.64 1.18 0.00 -1.24 3.00 -1.26 -4.98 117.38 112.44 1f4j n GLN 240 Ca 0.05 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1f4j n GLN 240 Cb 0.27 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.03 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 1.35 -0.69 3.72 1.08 0.00 -0.95 -4.94 105.19 104.77 1f4j n GLY 241 Ca 0.12 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.06 4.43 -0.14 -0.61 -1.09 -1.26 -4.36 121.20 115.11 1f4j s ILE 242 Ca 0.00 1.93 -0.09 0.00 -2.23 0.00 0.00 60.65 60.26 1f4j s ILE 242 Cb 0.00 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1f4j s ILE 242 CO 0.00 0.25 0.35 -0.75 -1.23 0.00 0.00 174.94 173.56 1f4j s LYS 243 N 0.30 0.35 0.22 2.79 2.20 -1.05 -5.03 119.74 119.52 1f4j s LYS 243 Ca 0.50 0.64 0.08 0.00 -0.36 0.00 0.00 55.97 56.83 1f4j s LYS 243 Cb -0.24 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.04 1f4j s LYS 243 CO 0.30 -0.13 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.22 1f4j s ASN 244 N 1.04 2.75 -0.14 1.43 0.01 -1.26 -0.88 114.94 117.89 1f4j s ASN 244 Ca -0.07 -1.04 -0.07 0.00 -0.71 0.00 0.00 52.86 50.97 1f4j s ASN 244 Cb -0.07 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 1f4j s ASN 244 CO -0.08 -0.16 0.12 -0.76 -1.51 0.00 0.00 177.10 174.71 1f4j s LEU 245 N -3.36 4.26 0.84 0.60 1.43 -0.02 -4.64 118.68 117.79 1f4j s LEU 245 Ca 0.24 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 1f4j s LEU 245 Cb -0.01 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.26 1f4j s LEU 245 CO 0.09 0.35 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 1f4j s SER 246 N -0.66 3.94 0.34 2.29 1.04 -1.26 -4.74 113.70 114.65 1f4j s SER 246 Ca 0.13 1.56 0.05 0.00 0.48 0.00 0.00 55.95 58.17 1f4j s SER 246 Cb -0.12 -2.26 0.62 0.00 0.10 0.00 0.00 66.02 64.36 1f4j s SER 246 CO 0.02 -2.36 1.87 -0.37 0.98 0.00 0.00 173.24 173.38 1f4j h VAL 247 N -1.35 1.20 0.71 5.02 -1.51 -1.98 -0.21 116.25 118.13 1f4j h VAL 247 Ca -0.47 -0.84 -0.03 0.00 -1.23 0.00 0.00 66.70 64.13 1f4j h VAL 247 Cb 1.27 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1f4j h VAL 247 CO 0.54 0.28 -0.37 -0.33 -1.23 0.00 0.00 177.57 176.46 1f4j h GLU 248 N 0.44 -0.95 0.13 5.19 3.07 -2.00 -1.53 114.58 118.93 1f4j h GLU 248 Ca 0.09 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1f4j h GLU 248 Cb 0.38 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1f4j h GLU 248 CO 0.02 -0.64 -0.13 -0.44 -1.40 0.00 0.00 179.01 176.42 1f4j h ASP 249 N -0.99 -0.34 -0.76 1.42 3.45 -1.88 -1.21 116.42 116.10 1f4j h ASP 249 Ca -0.09 0.03 0.17 0.00 0.43 0.00 0.00 57.03 57.57 1f4j h ASP 249 Cb 0.77 0.12 -0.12 0.00 -0.56 0.00 0.00 39.33 39.55 1f4j h ASP 249 CO 0.14 -0.20 0.14 0.00 -1.57 0.00 0.00 179.24 177.75 1f4j h ALA 250 N 0.56 0.95 0.06 3.45 0.00 -1.01 0.35 119.26 123.63 1f4j h ALA 250 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1f4j h ALA 250 Cb 0.27 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f4j h ALA 250 CO -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.80 1f4j h ALA 251 N 1.66 -0.08 -0.63 0.00 0.00 -0.90 0.17 119.26 119.49 1f4j h ALA 251 Ca 0.43 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1f4j h ALA 251 Cb 0.77 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1f4j h ALA 251 CO -0.57 -0.48 0.32 -0.09 0.00 0.00 0.00 179.25 178.44 1f4j h ARG 252 N -0.21 0.58 -0.15 0.00 2.43 0.10 -1.92 114.38 115.21 1f4j h ARG 252 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1f4j h ARG 252 Cb 0.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1f4j h ARG 252 CO 0.01 0.38 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.44 1f4j h LEU 253 N 0.59 0.31 -1.14 3.80 3.38 -0.15 -0.94 115.31 121.17 1f4j h LEU 253 Ca 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1f4j h LEU 253 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1f4j h LEU 253 CO -0.20 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 1f4j n SER 254 N -4.08 0.52 -0.04 -0.43 3.41 0.59 -1.13 113.62 112.46 1f4j n SER 254 Ca -0.01 0.72 -0.05 0.00 -0.26 0.00 0.00 58.87 59.27 1f4j n SER 254 Cb 0.44 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1f4j n SER 254 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1f4j n GLN 255 N -2.17 2.14 0.12 4.33 0.00 -0.91 -4.29 117.38 116.60 1f4j n GLN 255 Ca -0.01 0.01 -0.23 0.00 -0.00 0.00 0.00 57.00 56.78 1f4j n GLN 255 Cb 0.07 -1.21 -0.14 0.00 0.00 0.00 0.00 30.24 28.96 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 0.00 0.55 -2.02 3.69 5.08 -0.90 -3.42 114.58 117.56 1f4j h GLU 256 Ca -0.22 -0.83 -0.37 0.00 -1.00 0.00 0.00 59.36 56.94 1f4j h GLU 256 Cb 1.47 0.29 -0.32 0.00 0.50 0.00 0.00 28.75 30.69 1f4j h GLU 256 CO 0.00 1.39 -0.68 0.34 -1.00 0.00 0.00 179.01 179.06 1f4j s ASP 257 N -7.47 1.34 0.51 1.42 3.68 -0.28 -4.99 116.67 110.88 1f4j s ASP 257 Ca -0.09 -1.42 0.27 0.00 2.13 0.00 0.00 52.55 53.45 1f4j s ASP 257 Cb 0.05 0.51 1.40 0.00 -1.45 0.00 0.00 42.92 43.43 1f4j s ASP 257 CO 0.93 -0.29 2.04 -0.65 0.13 0.00 0.00 175.17 177.34 1f4j h PRO 258 N 7.32 0.00 -0.86 4.34 0.11 -1.74 -2.62 132.00 138.55 1f4j h PRO 258 Ca 0.01 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.79 1f4j h PRO 258 Cb 1.06 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.97 1f4j h PRO 258 CO 0.23 0.13 0.42 -0.25 -0.21 0.00 0.00 178.00 178.32 1f4j n ASP 259 N -3.60 4.37 -0.26 -2.05 8.00 -1.26 0.03 116.55 121.78 1f4j n ASP 259 Ca -0.02 -3.33 0.07 0.00 0.71 0.00 0.00 54.79 52.22 1f4j n ASP 259 Cb 0.26 -0.78 0.18 0.00 -0.02 0.00 0.00 41.12 40.76 1f4j n ASP 259 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1f4j h TYR 260 N 1.96 0.06 -0.94 1.24 5.03 -1.81 -0.36 116.97 122.15 1f4j h TYR 260 Ca 0.40 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.76 1f4j h TYR 260 Cb 2.51 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 40.84 1f4j h TYR 260 CO 1.38 -0.22 0.57 0.78 -1.32 0.00 0.00 178.16 179.34 1f4j h GLY 261 N 0.14 1.36 0.65 1.82 0.00 -1.88 0.31 103.07 105.47 1f4j h GLY 261 Ca 0.44 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1f4j h GLY 261 CO -0.65 0.55 -0.08 -2.22 0.00 0.00 0.00 176.54 174.14 1f4j h ILE 262 N 1.30 0.96 -0.04 2.60 2.04 -1.51 -2.37 117.51 120.48 1f4j h ILE 262 Ca 0.34 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1f4j h ILE 262 Cb -0.06 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1f4j h ILE 262 CO -0.06 0.16 -0.28 -0.09 0.00 0.00 0.00 178.15 177.87 1f4j h ARG 263 N -0.58 -0.39 -0.64 2.37 2.43 -0.91 -0.76 114.38 115.89 1f4j h ARG 263 Ca -0.02 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1f4j h ARG 263 Cb 0.44 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1f4j h ARG 263 CO 0.04 -0.26 0.21 0.22 -1.51 0.00 0.00 179.97 178.67 1f4j h ASP 264 N -0.41 0.17 0.08 -3.80 1.82 -0.96 0.17 116.42 113.49 1f4j h ASP 264 Ca 0.07 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1f4j h ASP 264 Cb 0.51 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1f4j h ASP 264 CO -0.27 0.09 -0.04 0.25 -1.61 0.00 0.00 179.24 177.66 1f4j h LEU 265 N 0.37 -0.10 -0.96 2.28 5.85 -0.93 -2.35 115.31 119.48 1f4j h LEU 265 Ca 0.34 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1f4j h LEU 265 Cb 0.47 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1f4j h LEU 265 CO -0.36 0.23 0.42 0.15 -0.34 0.00 0.00 178.44 178.54 1f4j h PHE 266 N -0.43 1.15 -0.08 1.25 3.04 -0.76 -2.64 116.94 118.47 1f4j h PHE 266 Ca -0.01 -0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.77 1f4j h PHE 266 Cb 0.37 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1f4j h PHE 266 CO 0.03 0.82 -0.51 -0.91 -2.02 0.00 0.00 178.31 175.71 1f4j h ASN 267 N 1.16 0.25 0.74 0.41 2.35 -0.65 -0.95 115.58 118.89 1f4j h ASN 267 Ca 0.29 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1f4j h ASN 267 Cb 0.07 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1f4j h ASN 267 CO -0.04 0.72 -0.36 0.00 -1.65 0.00 0.00 177.43 176.10 1f4j h ALA 268 N 1.29 -1.19 -1.00 -0.83 0.00 -1.08 -0.70 119.26 115.75 1f4j h ALA 268 Ca 0.01 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1f4j h ALA 268 Cb 0.97 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1f4j h ALA 268 CO 0.08 -1.12 0.62 0.82 0.00 0.00 0.00 179.25 179.66 1f4j h ILE 269 N -1.06 0.88 -0.45 0.00 2.04 -1.52 -0.47 117.51 116.94 1f4j h ILE 269 Ca -0.10 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1f4j h ILE 269 Cb 0.76 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1f4j h ILE 269 CO 0.17 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.69 1f4j h ALA 270 N 1.56 1.51 -0.51 1.87 0.00 -0.95 -2.01 119.26 120.72 1f4j h ALA 270 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1f4j h ALA 270 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f4j h ALA 270 CO -0.29 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1f4j n THR 271 N -4.38 0.88 -0.79 0.00 -2.24 -0.29 -4.92 114.28 102.54 1f4j n THR 271 Ca 0.03 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1f4j n THR 271 Cb 0.13 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.22 0.89 2.43 3.38 0.00 -0.76 -4.94 105.19 107.42 1f4j n GLY 272 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 4.03 -1.63 1.61 5.02 -0.55 -4.96 118.16 119.67 1f4j n LYS 273 Ca 0.00 -2.82 -0.44 0.00 -2.02 0.00 0.00 58.31 53.03 1f4j n LYS 273 Cb 0.00 -2.76 -0.04 0.00 -0.02 0.00 0.00 35.03 32.21 1f4j n LYS 273 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f4j n TYR 274 N 2.95 2.25 -2.55 2.13 4.01 -1.26 -4.26 117.16 120.43 1f4j n TYR 274 Ca 0.69 -0.20 -0.34 0.00 -0.16 0.00 0.00 57.90 57.90 1f4j n TYR 274 Cb 0.25 -2.74 -0.04 0.00 -0.31 0.00 0.00 39.34 36.50 1f4j n TYR 274 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1f4j s PRO 275 N 5.13 3.85 0.12 -0.72 0.04 -1.24 -4.83 135.00 137.35 1f4j s PRO 275 Ca 0.95 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1f4j s PRO 275 Cb -0.47 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1f4j s PRO 275 CO 0.42 -0.38 0.12 -1.54 0.04 0.00 0.00 177.00 175.66 1f4j s SER 276 N -2.14 0.25 0.04 6.66 1.04 -1.26 -1.32 113.70 116.96 1f4j s SER 276 Ca 0.65 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1f4j s SER 276 Cb -0.14 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1f4j s SER 276 CO 0.20 -0.75 -0.09 0.26 0.98 0.00 0.00 173.24 173.85 1f4j s TRP 277 N -3.97 0.80 -0.19 5.02 0.51 0.20 -0.40 118.94 120.91 1f4j s TRP 277 Ca 0.16 -0.38 -0.15 0.00 -2.12 0.00 0.00 56.10 53.61 1f4j s TRP 277 Cb 0.06 -0.48 -0.04 0.00 -0.81 0.00 0.00 33.47 32.20 1f4j s TRP 277 CO -0.03 -0.03 0.34 0.99 -0.51 0.00 0.00 176.95 177.71 1f4j s THR 278 N -1.01 5.25 -0.28 2.01 2.01 0.66 -1.26 115.64 123.01 1f4j s THR 278 Ca -0.04 0.61 -0.14 0.00 0.31 0.00 0.00 61.69 62.43 1f4j s THR 278 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1f4j s THR 278 CO 0.01 0.31 0.31 0.12 -0.69 0.00 0.00 174.62 174.67 1f4j s PHE 279 N 0.99 3.23 0.48 4.92 2.19 0.20 -0.59 117.98 129.39 1f4j s PHE 279 Ca 0.17 0.24 0.02 0.00 0.33 0.00 0.00 56.93 57.69 1f4j s PHE 279 Cb -0.14 -2.52 -0.01 0.00 -1.31 0.00 0.00 43.02 39.04 1f4j s PHE 279 CO 0.06 -0.23 0.07 0.71 1.83 0.00 0.00 175.22 177.65 1f4j s TYR 280 N 1.95 1.78 0.14 10.12 1.51 0.13 -0.08 117.35 132.90 1f4j s TYR 280 Ca 0.12 -1.15 -0.09 0.00 -1.01 0.00 0.00 57.07 54.94 1f4j s TYR 280 Cb -0.16 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1f4j s TYR 280 CO 0.11 -0.05 0.25 0.96 -1.11 0.00 0.00 175.55 175.71 1f4j s ILE 281 N -3.02 0.09 -0.04 2.71 -4.36 -0.09 -1.59 121.20 114.89 1f4j s ILE 281 Ca 0.11 -1.35 0.07 0.00 -0.26 0.00 0.00 60.65 59.22 1f4j s ILE 281 Cb 0.01 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 1f4j s ILE 281 CO 0.07 -0.40 -0.24 -1.10 0.24 0.00 0.00 174.94 173.51 1f4j s GLN 282 N -3.94 2.23 -0.08 0.37 -0.21 -0.82 0.94 119.66 118.15 1f4j s GLN 282 Ca 0.14 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.69 1f4j s GLN 282 Cb 0.04 -2.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 1f4j s GLN 282 CO -0.03 0.44 -0.19 0.08 -2.12 0.00 0.00 175.29 173.46 1f4j s VAL 283 N -0.33 2.56 -0.09 1.09 1.01 -1.26 -2.03 120.40 121.35 1f4j s VAL 283 Ca 0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1f4j s VAL 283 Cb -0.12 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1f4j s VAL 283 CO 0.01 0.56 -0.04 -0.32 0.00 0.00 0.00 175.10 175.32 1f4j s MET 284 N -0.15 1.09 0.75 2.72 1.75 0.42 -4.95 119.30 120.92 1f4j s MET 284 Ca -0.02 -0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.22 1f4j s MET 284 Cb -0.14 -1.28 0.04 0.00 2.84 0.00 0.00 34.83 36.30 1f4j s MET 284 CO 0.04 -0.27 1.08 0.95 -0.65 0.00 0.00 175.02 176.16 1f4j s THR 285 N 1.77 3.59 0.31 10.11 -4.23 -1.26 -0.92 115.64 125.01 1f4j s THR 285 Ca 0.04 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.09 1f4j s THR 285 Cb -0.13 -3.21 0.29 0.00 1.34 0.00 0.00 72.50 70.79 1f4j s THR 285 CO -0.06 -0.68 1.87 -0.26 -0.54 0.00 0.00 174.62 174.95 1f4j h PHE 286 N -0.92 1.04 -0.02 3.99 -1.00 -1.96 -0.16 116.94 117.91 1f4j h PHE 286 Ca -0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1f4j h PHE 286 Cb 1.23 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 40.46 1f4j h PHE 286 CO 0.56 0.45 0.01 -0.91 -1.61 0.00 0.00 178.31 176.81 1f4j h ASN 287 N 0.94 0.02 -0.55 2.17 2.35 -1.99 -2.28 115.58 116.24 1f4j h ASN 287 Ca 0.45 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.26 1f4j h ASN 287 Cb 0.46 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1f4j h ASN 287 CO -0.22 0.01 0.37 1.56 -1.65 0.00 0.00 177.43 177.50 1f4j h GLN 288 N 0.02 0.51 -0.16 0.81 4.20 -1.53 0.19 115.11 119.16 1f4j h GLN 288 Ca 0.01 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1f4j h GLN 288 Cb -0.00 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1f4j h GLN 288 CO -0.00 0.34 0.11 0.00 -0.67 0.00 0.00 178.83 178.60 1f4j h ALA 289 N 1.70 1.95 0.02 3.87 0.00 -0.50 0.11 119.26 126.39 1f4j h ALA 289 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f4j h ALA 289 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1f4j h ALA 289 CO -0.06 0.04 -0.01 0.93 0.00 0.00 0.00 179.25 180.14 1f4j h GLU 290 N 0.17 -0.02 0.00 0.00 5.08 -0.43 -3.29 114.58 116.09 1f4j h GLU 290 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1f4j h GLU 290 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1f4j h GLU 290 CO -0.01 0.74 0.00 0.25 -1.00 0.00 0.00 179.01 178.99 1f4j n THR 291 N -4.69 0.98 -1.76 1.13 -2.24 -0.61 -4.68 114.28 102.41 1f4j n THR 291 Ca -0.08 0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.64 1f4j n THR 291 Cb 0.37 -1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.30 2.45 0.24 4.78 5.36 0.34 -4.88 117.98 122.97 1f4j s PHE 292 Ca 0.03 0.16 -0.15 0.00 -0.96 0.00 0.00 56.93 56.01 1f4j s PHE 292 Cb 0.08 -4.13 0.30 0.00 -0.34 0.00 0.00 43.02 38.93 1f4j s PHE 292 CO 0.30 -4.51 1.55 -1.35 -1.46 0.00 0.00 175.22 169.76 1f4j h PRO 293 N 7.94 -0.00 0.00 10.12 0.11 -1.90 -3.43 132.00 144.84 1f4j h PRO 293 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1f4j h PRO 293 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1f4j h PRO 293 CO 0.95 -0.00 -0.01 1.19 -0.21 0.00 0.00 178.00 179.92 1f4j n PHE 294 N -5.52 -2.59 -2.51 0.65 3.72 -1.26 -5.05 117.46 104.90 1f4j n PHE 294 Ca 0.12 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 1f4j n PHE 294 Cb 0.43 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.27 6.70 0.64 4.37 2.47 -1.26 -4.87 114.94 121.72 1f4j s ASN 295 Ca 0.04 0.98 0.38 0.00 0.42 0.00 0.00 52.86 54.68 1f4j s ASN 295 Cb -0.00 -2.54 2.13 0.00 -1.45 0.00 0.00 41.25 39.39 1f4j s ASN 295 CO 0.03 -1.10 2.27 1.55 -3.72 0.00 0.00 177.10 176.13 1f4j h PRO 296 N 9.10 0.00 -0.67 0.43 0.13 -1.89 -1.20 132.00 137.91 1f4j h PRO 296 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1f4j h PRO 296 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1f4j h PRO 296 CO 1.06 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.02 1f4j n PHE 297 N -3.30 1.03 -2.95 1.56 3.72 -1.26 -4.78 117.46 111.49 1f4j n PHE 297 Ca -0.02 -0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 56.47 1f4j n PHE 297 Cb 0.14 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.96 6.50 0.37 4.37 2.15 -0.45 -4.44 116.67 124.21 1f4j s ASP 298 Ca 0.46 0.19 0.18 0.00 0.43 0.00 0.00 52.55 53.81 1f4j s ASP 298 Cb 0.25 -2.40 0.99 0.00 -0.30 0.00 0.00 42.92 41.46 1f4j s ASP 298 CO 0.28 -0.82 1.49 0.25 -0.17 0.00 0.00 175.17 176.21 1f4j h LEU 299 N 9.94 0.00 -0.97 -1.34 5.85 -1.88 -0.04 115.31 126.87 1f4j h LEU 299 Ca -0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1f4j h LEU 299 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1f4j h LEU 299 CO 0.94 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.39 1f4j n THR 300 N -2.22 0.17 -4.36 1.05 -2.24 -1.26 -1.96 114.28 103.46 1f4j n THR 300 Ca -0.01 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 1f4j n THR 300 Cb 0.23 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.83 1.77 0.37 -0.78 -0.14 -0.03 -4.86 119.74 114.23 1f4j s LYS 301 Ca 0.32 -1.40 0.08 0.00 -1.36 0.00 0.00 55.97 53.61 1f4j s LYS 301 Cb 0.17 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.27 1f4j s LYS 301 CO 0.26 0.42 0.01 0.14 -0.76 0.00 0.00 175.35 175.42 1f4j s VAL 302 N -1.68 2.36 -0.41 3.17 -7.23 -1.26 -4.80 120.40 110.54 1f4j s VAL 302 Ca 0.23 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1f4j s VAL 302 Cb -0.08 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 34.07 1f4j s VAL 302 CO 0.12 -0.13 0.28 0.26 -0.31 0.00 0.00 175.10 175.32 1f4j s TRP 303 N -2.59 3.27 -0.05 2.82 0.51 -1.26 -5.03 118.94 116.61 1f4j s TRP 303 Ca 0.35 -1.10 -0.37 0.00 -2.12 0.00 0.00 56.10 52.86 1f4j s TRP 303 Cb 0.03 -2.78 -0.15 0.00 -0.81 0.00 0.00 33.47 29.76 1f4j s TRP 303 CO 0.19 -0.74 1.62 -2.30 -0.51 0.00 0.00 176.95 175.20 1f4j n PRO 304 N 5.03 1.53 -0.20 4.98 -0.02 -1.26 -4.73 135.00 140.32 1f4j n PRO 304 Ca -0.11 0.56 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1f4j n PRO 304 Cb 0.45 -2.27 0.11 0.00 -0.02 0.00 0.00 33.50 31.76 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 6.55 0.05 -0.77 6.00 3.86 -1.97 0.14 115.15 129.01 1f4j h HIS 305 Ca -0.47 0.04 0.17 0.00 -1.16 0.00 0.00 60.37 58.95 1f4j h HIS 305 Cb 1.30 0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.71 1f4j h HIS 305 CO 0.71 -0.13 -0.10 0.87 0.86 0.00 0.00 177.93 180.15 1f4j h LYS 306 N 0.16 0.04 0.19 2.45 6.56 -1.99 -0.40 116.57 123.59 1f4j h LYS 306 Ca 0.33 -0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.61 1f4j h LYS 306 Cb 0.53 -0.01 0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1f4j h LYS 306 CO -0.49 0.03 -1.36 -0.44 -2.06 0.00 0.00 179.45 175.12 1f4j h ASP 307 N 0.04 0.65 -3.33 0.86 3.32 -1.48 -3.40 116.42 113.09 1f4j h ASP 307 Ca 0.40 -0.69 -0.61 0.00 0.02 0.00 0.00 57.03 56.15 1f4j h ASP 307 Cb 0.66 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 39.60 1f4j h ASP 307 CO -0.74 1.54 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.25 1f4j s TYR 308 N -2.64 1.86 0.66 4.55 2.02 0.32 -5.05 117.35 119.06 1f4j s TYR 308 Ca -0.07 -2.36 -0.16 0.00 -0.37 0.00 0.00 57.07 54.11 1f4j s TYR 308 Cb 0.06 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1f4j s TYR 308 CO 0.92 -0.78 1.18 -1.25 -1.57 0.00 0.00 175.55 174.04 1f4j s PRO 309 N 0.35 2.65 0.39 -1.71 0.04 -0.23 -4.20 135.00 132.29 1f4j s PRO 309 Ca 0.19 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1f4j s PRO 309 Cb -0.22 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1f4j s PRO 309 CO -0.01 -1.42 1.19 -0.51 0.04 0.00 0.00 177.00 176.28 1f4j s LEU 310 N -4.65 4.24 -0.17 -3.56 1.43 -1.26 -4.58 118.68 110.13 1f4j s LEU 310 Ca 0.73 2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 56.23 1f4j s LEU 310 Cb -0.27 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.00 1f4j s LEU 310 CO 0.39 -0.65 -0.14 -0.63 0.23 0.00 0.00 176.35 175.55 1f4j s ILE 311 N -1.36 2.69 0.35 -0.59 -1.09 0.27 -4.89 121.20 116.58 1f4j s ILE 311 Ca 0.56 -0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 57.94 1f4j s ILE 311 Cb -0.32 -2.15 -0.11 0.00 -1.58 0.00 0.00 42.46 38.30 1f4j s ILE 311 CO 0.41 0.50 1.37 -2.84 -1.23 0.00 0.00 174.94 173.15 1f4j s PRO 312 N 0.98 4.27 0.00 2.79 0.02 -1.26 -0.92 135.00 140.88 1f4j s PRO 312 Ca -0.02 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1f4j s PRO 312 Cb -0.15 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1f4j s PRO 312 CO -0.02 -0.31 0.00 0.28 -0.33 0.00 0.00 177.00 176.62 1f4j n VAL 313 N 0.71 0.00 -3.02 3.83 0.31 0.88 -4.56 118.33 116.49 1f4j n VAL 313 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1f4j n VAL 313 Cb 0.41 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 2.35 -0.68 3.28 2.92 0.00 -0.64 -0.45 105.19 111.97 1f4j n GLY 314 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.04 1.13 -0.17 1.61 -0.14 0.12 0.58 119.74 122.83 1f4j s LYS 315 Ca 0.00 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 53.37 1f4j s LYS 315 Cb 0.00 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 34.96 1f4j s LYS 315 CO 0.00 0.26 -0.19 -0.51 -0.76 0.00 0.00 175.35 174.15 1f4j s LEU 316 N -2.28 2.04 -0.12 3.17 1.43 -0.39 -0.61 118.68 121.91 1f4j s LEU 316 Ca 0.09 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1f4j s LEU 316 Cb -0.07 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1f4j s LEU 316 CO 0.05 0.00 -0.17 -0.69 0.23 0.00 0.00 176.35 175.77 1f4j s VAL 317 N 1.24 1.67 -0.43 -1.59 1.01 -0.46 -0.63 120.40 121.21 1f4j s VAL 317 Ca 0.03 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1f4j s VAL 317 Cb -0.13 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1f4j s VAL 317 CO -0.11 0.48 0.33 -0.76 0.00 0.00 0.00 175.10 175.04 1f4j s LEU 318 N 1.00 5.24 -0.07 3.92 1.43 -0.43 -1.64 118.68 128.13 1f4j s LEU 318 Ca -0.05 -1.01 0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1f4j s LEU 318 Cb -0.15 -2.18 0.16 0.00 0.03 0.00 0.00 46.19 44.06 1f4j s LEU 318 CO -0.03 -0.51 1.05 -0.46 0.23 0.00 0.00 176.35 176.63 1f4j n ASN 319 N 5.20 1.65 -3.72 2.29 0.23 -0.02 -3.68 115.26 117.20 1f4j n ASN 319 Ca -0.11 -2.55 -0.12 0.00 -0.53 0.00 0.00 54.58 51.28 1f4j n ASN 319 Cb 0.46 -0.28 -0.12 0.00 -2.08 0.00 0.00 39.78 37.76 1f4j n ASN 319 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1f4j s ARG 320 N -1.78 0.31 0.36 -3.83 3.52 -0.48 -4.98 118.95 112.09 1f4j s ARG 320 Ca 0.18 0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 56.33 1f4j s ARG 320 Cb 0.16 -0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.47 1f4j s ARG 320 CO 0.02 -0.14 0.66 -0.80 -0.81 0.00 0.00 175.30 174.23 1f4j s ASN 321 N 1.11 6.43 0.67 -2.12 0.02 -1.26 -0.57 114.94 119.22 1f4j s ASN 321 Ca -0.08 0.87 -0.14 0.00 -1.02 0.00 0.00 52.86 52.50 1f4j s ASN 321 Cb -0.08 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 38.98 1f4j s ASN 321 CO -0.08 -0.33 1.09 -2.16 0.02 0.00 0.00 177.10 175.63 1f4j s PRO 322 N -3.88 2.81 -0.20 -0.60 0.04 -1.26 -4.86 135.00 127.05 1f4j s PRO 322 Ca 0.47 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1f4j s PRO 322 Cb -0.10 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.27 1f4j s PRO 322 CO 0.33 -1.22 0.05 0.28 0.04 0.00 0.00 177.00 176.48 1f4j n VAL 323 N -2.65 1.62 -3.94 -0.36 0.31 -1.26 -4.83 118.33 107.22 1f4j n VAL 323 Ca 0.09 -0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 63.61 1f4j n VAL 323 Cb 0.53 -1.68 -0.16 0.00 -0.91 0.00 0.00 33.84 31.62 1f4j n VAL 323 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1f4j s ASN 324 N -6.89 3.84 0.20 4.52 3.84 -1.26 -5.04 114.94 114.15 1f4j s ASN 324 Ca -0.30 -1.17 -0.10 0.00 0.21 0.00 0.00 52.86 51.50 1f4j s ASN 324 Cb 0.08 -1.17 0.23 0.00 -0.55 0.00 0.00 41.25 39.84 1f4j s ASN 324 CO 0.65 -0.24 1.77 0.22 -2.79 0.00 0.00 177.10 176.71 1f4j h TYR 325 N 7.96 0.48 -0.42 0.43 3.20 -1.97 -0.62 116.97 126.02 1f4j h TYR 325 Ca -0.18 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1f4j h TYR 325 Cb 1.07 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1f4j h TYR 325 CO 0.50 0.18 0.18 0.35 -1.64 0.00 0.00 178.16 177.73 1f4j h PHE 326 N 0.49 0.63 -0.23 -3.82 3.57 -1.96 0.60 116.94 116.23 1f4j h PHE 326 Ca 0.28 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 1f4j h PHE 326 Cb 0.27 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1f4j h PHE 326 CO -0.13 0.54 -0.50 0.00 -2.23 0.00 0.00 178.31 175.99 1f4j h ALA 327 N 1.02 0.70 0.00 2.41 0.00 -1.90 -2.12 119.26 119.36 1f4j h ALA 327 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1f4j h ALA 327 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1f4j h ALA 327 CO -0.01 0.68 -1.99 0.39 0.00 0.00 0.00 179.25 178.31 1f4j n GLU 328 N -3.99 0.65 -0.02 0.00 1.02 -0.27 -4.47 120.64 113.56 1f4j n GLU 328 Ca -0.03 -0.18 -0.07 0.00 -0.02 0.00 0.00 57.16 56.87 1f4j n GLU 328 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.27 0.88 -0.21 2.62 0.31 0.20 -4.40 118.33 115.46 1f4j n VAL 329 Ca -0.06 0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 1f4j n VAL 329 Cb 0.59 -1.72 0.04 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.32 0.78 -0.00 5.55 4.57 -1.35 -2.79 114.58 121.01 1f4j h GLU 330 Ca -0.12 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1f4j h GLU 330 Cb 0.80 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1f4j h GLU 330 CO -0.08 0.51 -0.03 1.04 -1.18 0.00 0.00 179.01 179.28 1f4j n GLN 331 N -4.68 0.84 -2.27 1.92 6.02 -0.80 -4.89 117.38 113.52 1f4j n GLN 331 Ca 0.05 -0.16 -0.36 0.00 -0.01 0.00 0.00 57.00 56.52 1f4j n GLN 331 Cb 0.04 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.27 3.15 -0.05 5.09 2.07 -1.05 -4.85 121.20 123.29 1f4j s ILE 332 Ca 0.37 0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 60.40 1f4j s ILE 332 Cb 0.21 -3.37 0.03 0.00 0.13 0.00 0.00 42.46 39.46 1f4j s ILE 332 CO 0.42 -0.07 0.03 0.00 -1.91 0.00 0.00 174.94 173.40 1f4j s ALA 333 N -1.64 0.39 -0.15 1.50 0.00 -1.26 -5.04 121.76 115.55 1f4j s ALA 333 Ca 0.67 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1f4j s ALA 333 Cb -0.26 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1f4j s ALA 333 CO 0.31 -0.36 -0.02 -0.06 0.00 0.00 0.00 175.76 175.63 1f4j s PHE 334 N 1.78 3.06 -0.22 0.00 0.40 -1.26 -4.93 117.98 116.79 1f4j s PHE 334 Ca 0.01 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1f4j s PHE 334 Cb -0.12 -1.96 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1f4j s PHE 334 CO -0.03 0.03 -0.13 -0.51 0.70 0.00 0.00 175.22 175.28 1f4j s ASP 335 N 0.26 3.85 0.57 1.36 1.01 -1.26 -4.87 116.67 117.59 1f4j s ASP 335 Ca -0.02 -1.09 0.29 0.00 0.71 0.00 0.00 52.55 52.45 1f4j s ASP 335 Cb -0.14 -1.44 1.47 0.00 1.01 0.00 0.00 42.92 43.82 1f4j s ASP 335 CO 0.03 -0.14 1.90 -0.65 0.21 0.00 0.00 175.17 176.52 1f4j h PRO 336 N 7.87 0.00 0.00 8.23 0.11 -1.80 0.34 132.00 146.75 1f4j h PRO 336 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 1f4j n SER 337 N -3.95 0.00 -4.56 -2.05 3.41 -1.26 -4.42 113.62 100.79 1f4j n SER 337 Ca 0.12 0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 1f4j n SER 337 Cb 0.76 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.89 6.35 -0.05 4.04 0.01 0.12 -4.92 114.94 117.60 1f4j s ASN 338 Ca 0.09 -1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 51.14 1f4j s ASN 338 Cb 0.10 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.22 1f4j s ASN 338 CO 0.26 -1.65 0.00 -0.04 -1.51 0.00 0.00 177.10 174.17 1f4j s MET 339 N 5.28 0.44 0.64 -0.60 -1.94 -1.26 -1.77 119.30 120.09 1f4j s MET 339 Ca 0.43 0.11 -0.07 0.00 -1.71 0.00 0.00 55.69 54.46 1f4j s MET 339 Cb -0.03 -0.75 0.03 0.00 2.01 0.00 0.00 34.83 36.09 1f4j s MET 339 CO -0.02 -0.23 0.95 -1.25 -0.01 0.00 0.00 175.02 174.47 1f4j s PRO 340 N 1.60 2.67 0.18 2.03 0.04 -1.26 -4.93 135.00 135.33 1f4j s PRO 340 Ca -0.01 -0.05 -0.33 0.00 0.04 0.00 0.00 61.00 60.64 1f4j s PRO 340 Cb -0.13 -2.22 -0.15 0.00 0.04 0.00 0.00 34.50 32.05 1f4j s PRO 340 CO -0.03 -0.91 1.32 -2.30 0.04 0.00 0.00 177.00 175.12 1f4j n PRO 341 N -2.73 1.56 0.00 0.56 -0.02 -1.26 -1.62 135.00 131.49 1f4j n PRO 341 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1f4j n PRO 341 Cb 0.58 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.33 2.84 2.98 -1.23 0.00 -1.26 -2.81 105.19 108.04 1f4j n GLY 342 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.51 1.06 0.22 -0.61 1.01 -0.64 -1.28 121.20 118.45 1f4j s ILE 343 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1f4j s ILE 343 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1f4j s ILE 343 CO 0.00 0.35 0.15 -1.61 0.00 0.00 0.00 174.94 173.83 1f4j s GLU 344 N 1.01 1.30 0.42 2.79 2.02 0.75 -4.31 118.70 122.69 1f4j s GLU 344 Ca -0.08 -1.70 -0.08 0.00 0.02 0.00 0.00 54.97 53.13 1f4j s GLU 344 Cb -0.15 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1f4j s GLU 344 CO -0.00 -0.43 0.76 0.00 0.02 0.00 0.00 175.26 175.60 1f4j s ALA 345 N -4.03 3.39 0.58 5.21 0.00 -1.26 -0.22 121.76 125.43 1f4j s ALA 345 Ca 0.39 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.10 1f4j s ALA 345 Cb 0.06 -2.62 0.09 0.00 0.00 0.00 0.00 23.12 20.65 1f4j s ALA 345 CO 0.15 -0.12 0.80 -1.54 0.00 0.00 0.00 175.76 175.04 1f4j s SER 346 N -3.53 5.06 0.00 0.00 1.04 -1.24 -4.44 113.70 110.60 1f4j s SER 346 Ca 0.49 -0.88 0.21 0.00 0.48 0.00 0.00 55.95 56.25 1f4j s SER 346 Cb -0.10 0.36 1.23 0.00 0.10 0.00 0.00 66.02 67.61 1f4j s SER 346 CO 0.37 -1.37 1.63 -2.65 0.98 0.00 0.00 173.24 172.19 1f4j n PRO 347 N -2.26 0.68 -1.46 4.02 -0.02 -1.26 -4.74 135.00 129.96 1f4j n PRO 347 Ca 0.16 0.00 -0.54 0.00 -2.02 0.00 0.00 63.50 61.09 1f4j n PRO 347 Cb 0.62 -1.48 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.98 1.86 -0.20 2.55 -0.08 -1.26 -4.81 116.55 113.63 1f4j n ASP 348 Ca 0.16 0.62 0.01 0.00 -1.51 0.00 0.00 54.79 54.06 1f4j n ASP 348 Cb 0.07 -1.15 0.11 0.00 2.34 0.00 0.00 41.12 42.49 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 10.46 0.20 -0.16 -0.67 1.57 -1.82 0.10 116.57 126.26 1f4j h LYS 349 Ca -0.27 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1f4j h LYS 349 Cb 1.34 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1f4j h LYS 349 CO 1.02 0.13 -0.18 0.52 -0.57 0.00 0.00 179.45 180.37 1f4j h MET 350 N 0.21 -0.21 -0.81 3.15 2.86 -1.88 -0.99 114.93 117.26 1f4j h MET 350 Ca 0.32 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1f4j h MET 350 Cb 0.50 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1f4j h MET 350 CO -0.45 -0.14 0.41 1.25 1.06 0.00 0.00 176.91 179.04 1f4j h LEU 351 N -0.22 1.05 -1.10 1.22 5.85 -1.69 -1.95 115.31 118.47 1f4j h LEU 351 Ca 0.11 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1f4j h LEU 351 Cb 0.38 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1f4j h LEU 351 CO -0.29 0.87 0.61 1.56 -0.34 0.00 0.00 178.44 180.85 1f4j h GLN 352 N 1.15 1.03 -0.00 1.25 1.08 0.03 -0.60 115.11 119.05 1f4j h GLN 352 Ca 0.28 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 1f4j h GLN 352 Cb 0.09 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1f4j h GLN 352 CO -0.04 0.68 -0.67 0.78 -0.95 0.00 0.00 178.83 178.63 1f4j h GLY 353 N 1.06 0.01 2.00 3.46 0.00 -0.53 -2.92 103.07 106.16 1f4j h GLY 353 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1f4j h GLY 353 CO -0.16 0.02 0.00 3.21 0.00 0.00 0.00 176.54 179.60 1f4j h ARG 354 N 0.01 0.00 0.00 4.80 3.08 -0.43 -2.43 114.38 119.41 1f4j h ARG 354 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1f4j h ARG 354 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1f4j h ARG 354 CO 0.09 0.00 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.65 1f4j h LEU 355 N 0.00 0.00 0.01 3.04 3.38 -1.10 -3.26 115.31 117.38 1f4j h LEU 355 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1f4j h LEU 355 Cb 0.54 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1f4j h LEU 355 CO 0.00 0.27 -2.34 0.33 0.09 0.00 0.00 178.44 176.79 1f4j n PHE 356 N -3.62 0.24 -0.15 1.13 7.35 -1.06 -4.64 117.46 116.72 1f4j n PHE 356 Ca -0.01 0.07 -0.03 0.00 -0.76 0.00 0.00 57.45 56.73 1f4j n PHE 356 Cb 0.40 -1.03 0.05 0.00 0.35 0.00 0.00 39.48 39.25 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 -0.42 0.46 0.37 3.13 0.00 -1.51 -2.78 119.26 118.51 1f4j h ALA 357 Ca -0.59 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1f4j h ALA 357 Cb 1.75 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1f4j h ALA 357 CO -0.21 -0.37 -0.18 1.88 0.00 0.00 0.00 179.25 180.38 1f4j h TYR 358 N 0.14 -0.46 -0.97 0.00 -1.99 -1.83 0.14 116.97 112.01 1f4j h TYR 358 Ca 0.23 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.97 1f4j h TYR 358 Cb 0.34 0.15 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 1f4j h TYR 358 CO -0.28 -0.17 0.64 -1.35 -0.00 0.00 0.00 178.16 177.00 1f4j h PRO 359 N -0.69 1.24 0.24 4.88 0.11 -1.82 0.51 132.00 136.47 1f4j h PRO 359 Ca -0.05 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.99 1f4j h PRO 359 Cb 0.49 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 1f4j h PRO 359 CO 0.08 0.82 -0.41 0.22 -0.21 0.00 0.00 178.00 178.51 1f4j h ASP 360 N 1.27 -1.15 0.34 -2.05 3.58 -1.33 -0.28 116.42 116.81 1f4j h ASP 360 Ca 0.37 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 1f4j h ASP 360 Cb -0.09 0.41 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1f4j h ASP 360 CO -0.09 -0.51 -0.23 0.00 -2.88 0.00 0.00 179.24 175.53 1f4j h THR 361 N -0.72 0.97 -0.22 2.25 1.03 -0.46 -2.82 112.91 112.93 1f4j h THR 361 Ca -0.00 -0.83 -0.17 0.00 -0.01 0.00 0.00 66.41 65.39 1f4j h THR 361 Cb 0.70 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 69.25 1f4j h THR 361 CO -0.16 0.22 -0.55 0.45 -0.01 0.00 0.00 175.52 175.47 1f4j h HIS 362 N 0.00 0.84 0.00 0.00 3.86 -0.18 0.31 115.15 119.98 1f4j h HIS 362 Ca -0.00 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1f4j h HIS 362 Cb 0.46 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1f4j h HIS 362 CO 0.00 1.07 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1f4j h ARG 363 N 0.51 0.00 0.00 2.45 3.08 -0.82 -0.17 114.38 119.43 1f4j h ARG 363 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1f4j h ARG 363 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1f4j h ARG 363 CO 0.11 0.00 -0.79 1.58 -1.07 0.00 0.00 179.97 179.80 1f4j n HIS 364 N -2.58 0.78 -0.14 3.04 -0.00 -0.76 -2.99 115.22 112.58 1f4j n HIS 364 Ca 0.00 0.34 -0.08 0.00 0.46 0.00 0.00 57.72 58.44 1f4j n HIS 364 Cb 0.20 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.27 1f4j n HIS 364 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1f4j h ARG 365 N -1.00 0.56 0.00 1.57 2.43 -0.41 -3.37 114.38 114.15 1f4j h ARG 365 Ca -0.09 -0.04 -0.38 0.00 -0.81 0.00 0.00 59.98 58.66 1f4j h ARG 365 Cb 0.76 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1f4j h ARG 365 CO -0.05 0.38 -2.34 1.28 -1.51 0.00 0.00 179.97 177.74 1f4j n LEU 366 N -4.78 2.18 0.00 3.80 4.77 -0.16 -4.44 117.00 118.37 1f4j n LEU 366 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1f4j n LEU 366 Cb 0.03 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1f4j n LEU 366 CO 0.35 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1f4j n GLY 367 N 1.82 4.58 0.33 -0.72 0.00 -0.67 -4.80 105.19 105.72 1f4j n GLY 367 Ca -0.45 -1.22 0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 0.12 -0.86 1.61 0.11 -1.84 0.14 132.00 131.28 1f4j h PRO 368 Ca 0.00 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.63 1f4j h PRO 368 Cb 0.00 -0.03 -0.27 0.00 0.11 0.00 0.00 31.00 30.82 1f4j h PRO 368 CO 0.00 0.08 0.49 0.09 -0.21 0.00 0.00 178.00 178.45 1f4j n ASN 369 N -5.19 4.03 0.21 -2.05 3.02 -1.26 -4.71 115.26 109.31 1f4j n ASN 369 Ca 0.35 -3.68 0.18 0.00 -0.03 0.00 0.00 54.58 51.40 1f4j n ASN 369 Cb 1.16 -0.80 0.80 0.00 -0.61 0.00 0.00 39.78 40.33 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 1.16 0.00 0.00 3.10 -0.00 -1.02 0.69 116.97 120.90 1f4j h TYR 370 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.27 1f4j h TYR 370 Cb 2.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.04 1f4j h TYR 370 CO 1.44 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.88 1f4j n LEU 371 N -3.37 0.00 0.02 0.10 4.77 -1.26 -1.88 117.00 115.39 1f4j n LEU 371 Ca 0.02 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1f4j n LEU 371 Cb 0.46 -0.50 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 1f4j n LEU 371 CO 0.21 -0.24 0.62 1.41 -1.33 0.00 0.00 177.39 178.06 1f4j n HIS 372 N -1.50 0.17 -2.07 -1.77 8.25 0.24 -2.98 115.22 115.55 1f4j n HIS 372 Ca 0.04 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 1f4j n HIS 372 Cb 0.18 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1f4j n HIS 372 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1f4j s ILE 373 N -3.04 3.29 0.10 1.59 1.01 -0.78 -4.79 121.20 118.58 1f4j s ILE 373 Ca 0.11 0.77 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 1f4j s ILE 373 Cb 0.17 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 39.17 1f4j s ILE 373 CO 0.65 0.01 0.83 -2.65 0.00 0.00 0.00 174.94 173.78 1f4j n PRO 374 N 5.15 -0.19 0.28 2.79 -0.02 -1.26 0.31 135.00 142.04 1f4j n PRO 374 Ca 0.14 0.82 0.15 0.00 -2.02 0.00 0.00 63.50 62.59 1f4j n PRO 374 Cb 0.42 -1.21 0.77 0.00 -0.02 0.00 0.00 33.50 33.45 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 0.32 -0.01 -1.45 -1.51 -1.91 -2.59 116.25 109.11 1f4j h VAL 375 Ca 0.13 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1f4j h VAL 375 Cb 0.26 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1f4j h VAL 375 CO -0.52 0.08 -0.49 0.59 -1.23 0.00 0.00 177.57 176.00 1f4j n ASN 376 N -3.37 1.41 -4.76 4.19 3.02 0.15 -4.90 115.26 111.01 1f4j n ASN 376 Ca -0.01 -1.12 -0.41 0.00 -0.03 0.00 0.00 54.58 53.01 1f4j n ASN 376 Cb 0.25 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 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 1.37 3.48 0.25 0.00 -0.04 -1.26 -4.81 135.00 133.99 1f4j n PRO 378 Ca 0.02 -3.49 0.12 0.00 -0.04 0.00 0.00 63.50 60.10 1f4j n PRO 378 Cb 0.42 -3.01 0.67 0.00 -0.04 0.00 0.00 33.50 31.54 1f4j n PRO 378 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1f4j h TYR 379 N 6.13 0.00 -0.00 0.54 -0.00 -1.92 -1.80 116.97 119.92 1f4j h TYR 379 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.13 1f4j h TYR 379 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 1f4j h TYR 379 CO 1.25 0.15 -0.03 0.54 -0.00 0.00 0.00 178.16 180.07 1f4j n ARG 380 N -3.65 0.85 -4.37 0.10 5.12 -1.26 -4.85 116.66 108.61 1f4j n ARG 380 Ca -0.02 -0.15 -0.24 0.00 -1.93 0.00 0.00 57.85 55.51 1f4j n ARG 380 Cb 0.27 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.25 2.92 -0.49 7.54 0.00 -0.68 -4.24 121.76 124.56 1f4j s ALA 381 Ca 0.38 -1.70 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 1f4j s ALA 381 Cb 0.21 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.86 1f4j s ALA 381 CO 0.41 0.32 0.48 0.50 0.00 0.00 0.00 175.76 177.48 1f4j s ARG 382 N -3.36 3.02 -0.49 0.00 6.06 -1.26 -4.93 118.95 118.00 1f4j s ARG 382 Ca 0.29 -1.25 -0.25 0.00 -2.50 0.00 0.00 55.73 52.02 1f4j s ARG 382 Cb -0.07 -4.14 0.03 0.00 0.06 0.00 0.00 34.95 30.83 1f4j s ARG 382 CO 0.16 -1.13 0.94 0.08 -2.50 0.00 0.00 175.30 172.85 1f4j s VAL 383 N 1.96 4.44 -0.04 7.11 1.01 -1.26 -5.00 120.40 128.62 1f4j s VAL 383 Ca 0.07 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1f4j s VAL 383 Cb -0.23 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1f4j s VAL 383 CO 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 175.10 174.26 1f4j s ALA 384 N 3.84 0.42 0.00 5.51 0.00 -1.26 -5.10 121.76 125.17 1f4j s ALA 384 Ca 0.35 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1f4j s ALA 384 Cb -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1f4j s ALA 384 CO 0.25 -0.17 0.00 0.27 0.00 0.00 0.00 175.76 176.10 1f4j n ASN 385 N 4.42 0.00 -0.56 0.00 0.23 -1.26 -4.96 115.26 113.12 1f4j n ASN 385 Ca -0.21 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.91 1f4j n ASN 385 Cb 0.50 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.00 -3.49 -2.53 4.02 -1.26 -4.90 117.16 109.00 1f4j n TYR 386 Ca 0.00 -1.34 -0.36 0.00 -0.01 0.00 0.00 57.90 56.19 1f4j n TYR 386 Cb 0.00 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.95 3.87 0.07 -0.72 -0.21 -1.26 -4.86 119.66 113.60 1f4j s GLN 387 Ca 0.36 0.34 -0.13 0.00 0.02 0.00 0.00 55.36 55.95 1f4j s GLN 387 Cb 0.35 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 31.34 1f4j s GLN 387 CO -0.06 0.57 0.30 1.03 -2.12 0.00 0.00 175.29 175.01 1f4j s ARG 388 N -1.71 0.87 4.14 2.91 1.81 -1.26 -4.95 118.95 120.77 1f4j s ARG 388 Ca 0.32 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1f4j s ARG 388 Cb -0.15 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 1f4j s ARG 388 CO 0.17 -0.30 0.00 -0.25 -0.68 0.00 0.00 175.30 174.25 1f4j n ASP 389 N 0.25 0.00 0.00 0.23 10.43 -1.26 -5.07 116.55 121.13 1f4j n ASP 389 Ca -0.17 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.19 1f4j n ASP 389 Cb 0.61 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.57 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 0.54 3.71 0.44 0.00 -1.26 -4.74 105.19 103.88 1f4j n GLY 390 Ca 0.00 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 1f4j n GLY 390 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f4j n PRO 391 N 0.74 1.42 -3.73 1.61 -0.04 -1.26 -3.24 135.00 130.50 1f4j n PRO 391 Ca 0.00 0.53 -0.22 0.00 -0.04 0.00 0.00 63.50 63.77 1f4j n PRO 391 Cb 0.00 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.04 1f4j n PRO 391 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1f4j n MET 392 N -1.06 -4.37 -2.41 0.54 2.81 -1.26 -4.38 117.12 106.99 1f4j n MET 392 Ca 0.12 0.58 -0.43 0.00 -1.81 0.00 0.00 57.70 56.16 1f4j n MET 392 Cb 0.45 -5.02 -0.02 0.00 -0.71 0.00 0.00 33.22 27.92 1f4j n MET 392 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f4j h MET 394 N 10.24 0.28 0.00 0.00 2.86 -1.93 -3.48 114.93 122.89 1f4j h MET 394 Ca -0.26 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1f4j h MET 394 Cb 1.09 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1f4j h MET 394 CO 1.09 1.21 0.00 1.04 1.06 0.00 0.00 176.91 181.31 1f4j n GLN 395 N -3.49 -0.01 0.00 1.72 3.00 -1.26 -4.84 117.38 112.50 1f4j n GLN 395 Ca -0.31 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.79 1f4j n GLN 395 Cb 1.05 0.00 0.58 0.00 0.00 0.00 0.00 30.24 31.87 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 -1.65 0.00 -1.82 1.08 5.75 -1.26 -4.82 116.55 113.83 1f4j n ASP 396 Ca 0.00 -0.44 -0.16 0.00 -0.01 0.00 0.00 54.79 54.17 1f4j n ASP 396 Cb 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.09 -4.85 -2.59 -1.12 5.15 -1.26 -2.14 115.26 107.36 1f4j n ASN 397 Ca 0.14 0.01 -0.19 0.00 -0.60 0.00 0.00 54.58 53.94 1f4j n ASN 397 Cb 0.10 -3.95 0.03 0.00 -0.53 0.00 0.00 39.78 35.42 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 -2.56 -3.96 0.00 1.20 6.02 -1.26 -4.84 117.38 111.98 1f4j n GLN 398 Ca -0.19 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 1f4j n GLN 398 Cb 0.64 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.47 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 -1.38 1.75 1.68 1.08 0.00 -0.91 -2.51 105.19 104.90 1f4j n GLY 399 Ca -0.12 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 2.76 3.64 -0.02 0.00 -1.26 -4.99 105.19 105.33 1f4j n GLY 400 Ca 0.00 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 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 0.98 0.50 -1.61 4.61 0.00 -1.04 -4.82 120.51 119.14 1f4j n ALA 401 Ca 0.26 0.40 -0.47 0.00 0.00 0.00 0.00 53.44 53.63 1f4j n ALA 401 Cb 0.98 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1f4j n ALA 401 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f4j n PRO 402 N 1.16 1.43 -0.30 0.00 -0.04 -1.26 -4.90 135.00 131.09 1f4j n PRO 402 Ca 0.09 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1f4j n PRO 402 Cb 0.32 -2.04 0.28 0.00 -0.04 0.00 0.00 33.50 32.02 1f4j n PRO 402 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1f4j n ASN 403 N 1.99 3.76 -4.37 3.54 2.04 -1.26 -4.94 115.26 116.03 1f4j n ASN 403 Ca 0.14 -2.00 -0.28 0.00 -0.44 0.00 0.00 54.58 52.00 1f4j n ASN 403 Cb 0.27 -0.40 -0.13 0.00 -2.53 0.00 0.00 39.78 36.99 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 -1.17 2.22 -0.04 -2.53 1.13 -1.26 -4.82 117.35 110.88 1f4j s TYR 404 Ca 0.45 -0.39 0.03 0.00 -1.41 0.00 0.00 57.07 55.75 1f4j s TYR 404 Cb 0.24 -1.22 0.00 0.00 -1.10 0.00 0.00 41.96 39.88 1f4j s TYR 404 CO 0.32 0.29 -0.13 -0.47 -2.51 0.00 0.00 175.55 173.05 1f4j s TYR 405 N -1.04 1.36 0.65 -3.49 5.04 -1.26 -4.12 117.35 114.50 1f4j s TYR 405 Ca 0.12 -0.41 -0.11 0.00 -2.44 0.00 0.00 57.07 54.24 1f4j s TYR 405 Cb -0.10 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 1f4j s TYR 405 CO 0.05 -0.17 1.05 -1.25 -1.34 0.00 0.00 175.55 173.89 1f4j s PRO 406 N 0.28 3.23 0.09 4.97 0.04 -1.26 -5.21 135.00 137.13 1f4j s PRO 406 Ca -0.07 0.57 -0.10 0.00 0.04 0.00 0.00 61.00 61.44 1f4j s PRO 406 Cb -0.12 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1f4j s PRO 406 CO 0.02 -0.78 0.23 0.54 0.04 0.00 0.00 177.00 177.05 1f4j s ASN 407 N -4.27 0.04 -0.47 6.66 2.20 -1.26 -5.05 114.94 112.79 1f4j s ASN 407 Ca 0.56 -0.54 0.03 0.00 -0.94 0.00 0.00 52.86 51.97 1f4j s ASN 407 Cb -0.11 0.36 0.64 0.00 -2.00 0.00 0.00 41.25 40.14 1f4j s ASN 407 CO 0.52 -0.73 1.92 -1.20 -2.94 0.00 0.00 177.10 174.67 1f4j n SER 408 N 0.01 4.22 -1.83 3.54 7.64 -1.26 -4.45 113.62 121.49 1f4j n SER 408 Ca -0.16 -3.64 -0.06 0.00 1.01 0.00 0.00 58.87 56.02 1f4j n SER 408 Cb 0.62 -0.85 0.07 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.12 1.28 -2.24 1.43 3.72 -1.26 -5.00 117.46 114.27 1f4j n PHE 409 Ca 0.60 -1.75 -0.16 0.00 -0.05 0.00 0.00 57.45 56.09 1f4j n PHE 409 Cb 1.53 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 39.79 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 -0.57 -0.11 3.74 1.37 0.00 -1.26 -4.89 105.19 103.47 1f4j n GLY 410 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1f4j n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4j s ALA 411 N -2.73 1.37 0.17 4.61 0.00 -1.26 -4.91 121.76 119.01 1f4j s ALA 411 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 51.96 50.94 1f4j s ALA 411 Cb 0.00 -2.98 -0.16 0.00 0.00 0.00 0.00 23.12 19.98 1f4j s ALA 411 CO 0.00 -2.75 1.14 -2.30 0.00 0.00 0.00 175.76 171.86 1f4j n PRO 412 N -4.10 1.12 -4.21 0.00 -0.02 -1.26 -4.99 135.00 121.54 1f4j n PRO 412 Ca 0.09 0.40 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 1f4j n PRO 412 Cb 0.59 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 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 -0.42 2.38 0.59 -0.52 0.41 -1.26 -5.01 118.70 114.88 1f4j s GLU 413 Ca 0.73 -1.12 -0.15 0.00 -0.41 0.00 0.00 54.97 54.02 1f4j s GLU 413 Cb -0.86 -2.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.11 1f4j s GLU 413 CO 0.53 0.45 1.04 1.14 -0.49 0.00 0.00 175.26 177.93 1f4j s GLN 414 N -2.94 3.44 -0.23 1.61 -2.07 -1.26 -5.05 119.66 113.16 1f4j s GLN 414 Ca 0.27 1.09 0.01 0.00 -1.82 0.00 0.00 55.36 54.91 1f4j s GLN 414 Cb -0.09 -2.06 0.06 0.00 -1.09 0.00 0.00 33.01 29.83 1f4j s GLN 414 CO 0.18 -0.70 -0.06 1.14 -1.32 0.00 0.00 175.29 174.54 1f4j s GLN 415 N -4.25 1.64 0.31 9.60 -2.07 -1.26 -5.02 119.66 118.61 1f4j s GLN 415 Ca 0.61 -0.97 0.06 0.00 -1.82 0.00 0.00 55.36 53.24 1f4j s GLN 415 Cb -0.14 -2.57 0.85 0.00 -1.09 0.00 0.00 33.01 30.06 1f4j s GLN 415 CO 0.39 -0.59 1.49 -2.30 -1.32 0.00 0.00 175.29 172.96 1f4j n PRO 416 N 4.68 -0.07 -0.42 9.60 -0.02 -1.26 -1.25 135.00 146.26 1f4j n PRO 416 Ca -0.12 1.40 0.34 0.00 -2.02 0.00 0.00 63.50 63.10 1f4j n PRO 416 Cb 0.44 -2.28 0.63 0.00 -0.02 0.00 0.00 33.50 32.27 1f4j n PRO 416 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1f4j h SER 417 N 0.00 0.27 -0.49 2.55 0.02 -2.05 0.16 113.55 114.01 1f4j h SER 417 Ca 0.63 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 61.53 1f4j h SER 417 Cb 1.40 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.93 1f4j h SER 417 CO -0.86 -0.10 0.20 0.00 -1.14 0.00 0.00 176.83 174.93 1f4j n ALA 418 N -2.54 3.89 -1.78 3.77 0.00 -0.38 -4.95 120.51 118.52 1f4j n ALA 418 Ca 0.34 -1.50 -0.36 0.00 0.00 0.00 0.00 53.44 51.92 1f4j n ALA 418 Cb 1.31 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.90 4.06 0.45 0.00 2.96 0.56 -4.96 118.68 119.84 1f4j s LEU 419 Ca 0.35 2.05 -0.22 0.00 -0.22 0.00 0.00 54.13 56.09 1f4j s LEU 419 Cb 0.28 -4.28 -0.08 0.00 0.50 0.00 0.00 46.19 42.61 1f4j s LEU 419 CO 0.09 -0.62 1.06 -1.61 -1.32 0.00 0.00 176.35 173.94 1f4j s GLU 420 N -2.69 3.94 -0.06 1.98 8.01 -1.26 -4.99 118.70 123.63 1f4j s GLU 420 Ca 0.61 1.47 -0.30 0.00 0.01 0.00 0.00 54.97 56.76 1f4j s GLU 420 Cb -0.22 -2.32 -0.04 0.00 -4.31 0.00 0.00 34.13 27.24 1f4j s GLU 420 CO 0.27 -0.33 1.47 -1.58 0.01 0.00 0.00 175.26 175.10 1f4j s HIS 421 N -1.79 2.50 0.04 1.61 5.65 -1.26 -5.00 115.29 117.03 1f4j s HIS 421 Ca 0.63 0.61 -0.11 0.00 0.25 0.00 0.00 55.06 56.44 1f4j s HIS 421 Cb -0.20 -3.73 -0.06 0.00 -1.18 0.00 0.00 32.58 27.42 1f4j s HIS 421 CO 0.25 -2.83 0.38 -1.54 -0.65 0.00 0.00 174.74 170.35 1f4j s SER 422 N 2.49 6.68 0.12 9.88 1.04 -1.26 -5.10 113.70 127.55 1f4j s SER 422 Ca 0.65 0.82 0.06 0.00 0.48 0.00 0.00 55.95 57.96 1f4j s SER 422 Cb -0.30 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1f4j s SER 422 CO 0.25 0.24 -0.14 -0.63 0.98 0.00 0.00 173.24 173.94 1f4j s ILE 423 N -1.26 1.35 -0.24 -1.02 1.01 -1.26 -5.13 121.20 114.65 1f4j s ILE 423 Ca 0.28 -1.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.14 1f4j s ILE 423 Cb -0.15 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1f4j s ILE 423 CO 0.15 -0.41 0.05 -1.58 0.00 0.00 0.00 174.94 173.16 1f4j s GLN 424 N -2.67 3.63 0.12 2.79 0.74 -1.26 -5.09 119.66 117.92 1f4j s GLN 424 Ca 0.09 -0.49 0.05 0.00 0.05 0.00 0.00 55.36 55.06 1f4j s GLN 424 Cb -0.05 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 1f4j s GLN 424 CO 0.03 -0.18 0.04 0.71 -0.55 0.00 0.00 175.29 175.35 1f4j s TYR 425 N 1.56 3.03 0.13 1.67 1.51 -1.26 -5.12 117.35 118.88 1f4j s TYR 425 Ca 0.06 -0.03 0.10 0.00 -1.01 0.00 0.00 57.07 56.19 1f4j s TYR 425 Cb -0.15 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1f4j s TYR 425 CO 0.03 0.50 -0.20 -1.54 -1.11 0.00 0.00 175.55 173.23 1f4j s SER 426 N -2.62 3.75 0.00 2.29 1.04 -1.26 -5.08 113.70 111.81 1f4j s SER 426 Ca 0.28 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1f4j s SER 426 Cb -0.11 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1f4j s SER 426 CO 0.20 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1f4j n GLY 427 N 0.73 2.38 3.89 7.32 0.00 -1.26 -5.07 105.19 113.17 1f4j n GLY 427 Ca -0.16 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 1f4j n GLY 427 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4j s GLU 428 N -1.84 3.64 -0.87 1.61 2.02 -1.26 -5.00 118.70 117.00 1f4j s GLU 428 Ca 0.00 0.38 -0.19 0.00 0.02 0.00 0.00 54.97 55.18 1f4j s GLU 428 Cb 0.00 -2.33 0.12 0.00 0.10 0.00 0.00 34.13 32.02 1f4j s GLU 428 CO 0.00 -0.21 1.08 0.08 0.02 0.00 0.00 175.26 176.24 1f4j s VAL 429 N -2.68 4.66 0.15 2.63 1.01 -1.26 -4.94 120.40 119.96 1f4j s VAL 429 Ca 0.50 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1f4j s VAL 429 Cb -0.10 -4.75 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1f4j s VAL 429 CO 0.41 -1.48 0.22 -2.11 0.00 0.00 0.00 175.10 172.14 1f4j n ARG 430 N 6.75 0.32 -3.21 2.72 1.85 -1.26 -5.13 116.66 118.71 1f4j n ARG 430 Ca 0.18 -1.09 -0.42 0.00 -1.00 0.00 0.00 57.85 55.52 1f4j n ARG 430 Cb 0.48 1.10 -0.08 0.00 -1.05 0.00 0.00 32.46 32.92 1f4j n ARG 430 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1f4j s ARG 431 N -2.27 3.55 -0.24 2.89 0.52 -1.26 -5.04 118.95 117.10 1f4j s ARG 431 Ca 0.11 -0.20 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 1f4j s ARG 431 Cb -0.01 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1f4j s ARG 431 CO 0.08 -0.72 0.14 -0.06 0.02 0.00 0.00 175.30 174.75 1f4j s PHE 432 N 2.49 3.27 0.07 -0.53 0.08 -1.26 -5.06 117.98 117.03 1f4j s PHE 432 Ca 0.20 0.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.06 1f4j s PHE 432 Cb -0.15 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 39.99 1f4j s PHE 432 CO 0.14 0.01 1.18 1.21 -0.10 0.00 0.00 175.22 177.66 1f4j s ASN 433 N 1.09 7.11 -0.07 1.36 3.04 -1.26 -4.91 114.94 121.30 1f4j s ASN 433 Ca 0.07 2.01 0.11 0.00 0.04 0.00 0.00 52.86 55.08 1f4j s ASN 433 Cb -0.14 -2.58 0.17 0.00 -1.54 0.00 0.00 41.25 37.16 1f4j s ASN 433 CO 0.04 -0.44 1.09 0.35 -3.04 0.00 0.00 177.10 175.10 1f4j n THR 434 N 3.77 1.51 0.24 -5.21 -2.24 -1.26 -4.66 114.28 106.43 1f4j n THR 434 Ca 0.08 -1.71 0.08 0.00 -2.27 0.00 0.00 64.05 60.22 1f4j n THR 434 Cb 0.47 0.08 0.59 0.00 -2.10 0.00 0.00 70.33 69.36 1f4j n THR 434 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f4j h ALA 435 N 0.03 1.62 -0.53 6.98 0.00 -2.00 -2.86 119.26 122.50 1f4j h ALA 435 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f4j h ALA 435 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1f4j h ALA 435 CO 0.00 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.52 1f4j n ASN 436 N -4.17 4.87 -4.68 0.00 3.02 -1.26 -4.80 115.26 108.23 1f4j n ASN 436 Ca -0.02 -2.71 -0.29 0.00 -0.03 0.00 0.00 54.58 51.52 1f4j n ASN 436 Cb 0.22 -0.59 0.16 0.00 -0.61 0.00 0.00 39.78 38.96 1f4j n ASN 436 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1f4j s ASP 437 N -1.07 2.87 -0.12 6.41 1.11 -1.08 -4.80 116.67 120.00 1f4j s ASP 437 Ca 0.49 1.35 -0.37 0.00 0.18 0.00 0.00 52.55 54.19 1f4j s ASP 437 Cb 0.35 -2.02 -0.15 0.00 1.07 0.00 0.00 42.92 42.18 1f4j s ASP 437 CO 0.18 -3.00 1.70 -0.67 1.18 0.00 0.00 175.17 174.56 1f4j n ASP 438 N -4.10 2.63 -0.19 0.27 -0.08 -1.26 -4.83 116.55 108.98 1f4j n ASP 438 Ca 0.06 1.05 0.05 0.00 -1.51 0.00 0.00 54.79 54.45 1f4j n ASP 438 Cb 0.56 -1.24 -0.02 0.00 2.34 0.00 0.00 41.12 42.76 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 5.08 1.10 0.00 1.67 3.02 -1.26 -4.80 115.26 120.06 1f4j n ASN 439 Ca 0.23 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1f4j n ASN 439 Cb 0.20 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 -0.48 0.00 0.09 2.41 0.24 -1.26 -4.57 118.33 114.76 1f4j n VAL 440 Ca 0.04 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 1f4j n VAL 440 Cb 0.22 0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.40 3.34 2.02 -1.93 -0.74 112.91 115.19 1f4j h THR 441 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1f4j h THR 441 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1f4j h THR 441 CO 0.00 0.00 0.29 1.56 0.37 0.00 0.00 175.52 177.74 1f4j h GLN 442 N -0.37 0.03 -0.51 6.66 4.20 -1.94 0.23 115.11 123.41 1f4j h GLN 442 Ca -0.02 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1f4j h GLN 442 Cb 0.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1f4j h GLN 442 CO -0.07 0.02 0.11 0.28 -0.67 0.00 0.00 178.83 178.50 1f4j h VAL 443 N 0.03 1.22 0.29 -0.54 2.07 -1.69 -1.08 116.25 116.54 1f4j h VAL 443 Ca 0.19 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1f4j h VAL 443 Cb 0.73 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1f4j h VAL 443 CO -0.01 0.29 -0.14 -0.09 0.02 0.00 0.00 177.57 177.64 1f4j h ARG 444 N 0.75 -0.38 -0.71 1.57 2.43 0.90 -0.26 114.38 118.68 1f4j h ARG 444 Ca 0.17 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.51 1f4j h ARG 444 Cb 0.29 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1f4j h ARG 444 CO -0.00 -0.09 0.48 0.00 -1.51 0.00 0.00 179.97 178.85 1f4j h ALA 445 N -0.06 2.22 0.09 2.80 0.00 -1.16 0.19 119.26 123.34 1f4j h ALA 445 Ca -0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1f4j h ALA 445 Cb 0.47 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1f4j h ALA 445 CO 0.07 -0.42 -1.18 0.35 0.00 0.00 0.00 179.25 178.07 1f4j h PHE 446 N 0.31 0.95 0.05 0.00 3.57 -1.02 -1.14 116.94 119.66 1f4j h PHE 446 Ca 0.34 -0.58 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 1f4j h PHE 446 Cb 0.91 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1f4j h PHE 446 CO -0.00 1.42 -0.02 -0.92 -2.23 0.00 0.00 178.31 176.56 1f4j h TYR 447 N 0.28 -0.06 0.00 0.41 5.03 0.81 -2.19 116.97 121.26 1f4j h TYR 447 Ca -0.16 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.07 1f4j h TYR 447 Cb 1.85 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.14 1f4j h TYR 447 CO 0.10 0.32 -1.25 1.55 -1.32 0.00 0.00 178.16 177.56 1f4j n VAL 448 N -4.94 0.85 -0.05 1.81 3.14 0.48 -4.19 118.33 115.44 1f4j n VAL 448 Ca -0.08 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.63 1f4j n VAL 448 Cb 0.21 -0.50 -0.02 0.00 -1.06 0.00 0.00 33.84 32.48 1f4j n VAL 448 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f4j n ASN 449 N -2.75 1.13 -0.33 6.55 5.03 -0.48 -4.71 115.26 119.70 1f4j n ASN 449 Ca -0.05 0.19 0.05 0.00 0.87 0.00 0.00 54.58 55.65 1f4j n ASN 449 Cb 0.69 -0.62 0.21 0.00 -1.02 0.00 0.00 39.78 39.04 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 -0.56 0.89 -2.81 2.41 2.07 -1.35 -3.43 116.25 113.47 1f4j h VAL 450 Ca 0.00 -0.30 -0.45 0.00 0.82 0.00 0.00 66.70 66.77 1f4j h VAL 450 Cb 0.56 -0.05 0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1f4j h VAL 450 CO 0.00 0.16 -0.00 -0.76 0.02 0.00 0.00 177.57 176.98 1f4j s LEU 451 N -10.26 3.32 0.00 2.57 1.43 -0.83 -5.06 118.68 109.85 1f4j s LEU 451 Ca -0.12 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1f4j s LEU 451 Cb 0.21 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.41 1f4j s LEU 451 CO 0.79 -1.07 0.05 -0.46 0.23 0.00 0.00 176.35 175.90 1f4j n ASN 452 N -2.36 2.40 -0.17 2.29 0.23 -1.26 -4.81 115.26 111.59 1f4j n ASN 452 Ca 0.06 -1.97 -0.08 0.00 -0.53 0.00 0.00 54.58 52.05 1f4j n ASN 452 Cb 0.59 0.11 0.01 0.00 -2.08 0.00 0.00 39.78 38.41 1f4j n ASN 452 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1f4j h GLU 453 N 0.00 0.70 0.58 -3.83 4.39 -1.97 0.44 114.58 114.89 1f4j h GLU 453 Ca -0.18 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1f4j h GLU 453 Cb 0.58 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1f4j h GLU 453 CO 0.30 0.59 -0.42 0.93 -1.16 0.00 0.00 179.01 179.25 1f4j h GLU 454 N 0.63 -0.94 -0.81 2.33 5.08 -1.99 0.44 114.58 119.33 1f4j h GLU 454 Ca 0.16 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 1f4j h GLU 454 Cb 0.12 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1f4j h GLU 454 CO -0.02 -0.62 0.43 1.96 -1.00 0.00 0.00 179.01 179.76 1f4j h GLN 455 N -0.97 0.67 -0.43 2.33 4.20 -1.96 0.20 115.11 119.15 1f4j h GLN 455 Ca -0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1f4j h GLN 455 Cb 0.81 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1f4j h GLN 455 CO 0.03 0.44 0.20 -0.09 -0.67 0.00 0.00 178.83 178.74 1f4j h ARG 456 N 0.69 0.62 -0.12 1.46 2.43 -0.48 0.34 114.38 119.32 1f4j h ARG 456 Ca 0.41 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1f4j h ARG 456 Cb 0.47 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1f4j h ARG 456 CO -0.30 0.55 0.04 -0.22 -1.51 0.00 0.00 179.97 178.53 1f4j h LYS 457 N 0.55 0.18 -0.16 0.20 3.64 0.15 -2.38 116.57 118.75 1f4j h LYS 457 Ca 0.15 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1f4j h LYS 457 Cb 0.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1f4j h LYS 457 CO -0.02 0.30 0.09 0.00 -2.27 0.00 0.00 179.45 177.56 1f4j h ARG 458 N 0.02 0.19 -0.70 1.90 3.08 -0.55 -1.16 114.38 117.16 1f4j h ARG 458 Ca 0.04 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1f4j h ARG 458 Cb 0.20 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.07 1f4j h ARG 458 CO -0.00 0.12 -0.20 1.25 -1.07 0.00 0.00 179.97 180.07 1f4j h LEU 459 N 0.19 -0.72 -0.82 3.04 5.85 -0.19 0.15 115.31 122.81 1f4j h LEU 459 Ca 0.06 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1f4j h LEU 459 Cb -0.00 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1f4j h LEU 459 CO -0.03 -0.24 0.42 0.00 -0.34 0.00 0.00 178.44 178.25 1f4j h GLU 461 N 1.15 1.01 -0.68 0.00 5.08 0.38 -0.02 114.58 121.51 1f4j h GLU 461 Ca 0.28 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1f4j h GLU 461 Cb 0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1f4j h GLU 461 CO -0.04 1.08 0.12 -0.91 -1.00 0.00 0.00 179.01 178.26 1f4j h ASN 462 N 0.88 1.07 0.09 1.42 2.35 -0.78 1.00 115.58 121.60 1f4j h ASN 462 Ca 0.13 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1f4j h ASN 462 Cb 0.73 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1f4j h ASN 462 CO 0.06 1.06 -0.04 0.40 -1.65 0.00 0.00 177.43 177.25 1f4j h ILE 463 N 1.04 1.14 -0.64 2.81 2.04 -1.36 -3.09 117.51 119.46 1f4j h ILE 463 Ca 0.21 -0.91 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1f4j h ILE 463 Cb 0.43 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1f4j h ILE 463 CO 0.01 0.22 0.26 0.00 0.00 0.00 0.00 178.15 178.64 1f4j h ALA 464 N 0.31 0.84 0.00 1.87 0.00 -0.89 0.17 119.26 121.56 1f4j h ALA 464 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f4j h ALA 464 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1f4j h ALA 464 CO 0.02 -0.16 0.00 0.78 0.00 0.00 0.00 179.25 179.88 1f4j h GLY 465 N 0.45 0.00 0.00 0.00 0.00 -0.79 -1.46 103.07 101.27 1f4j h GLY 465 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.31 1f4j h GLY 465 CO -0.30 0.00 -2.28 1.57 0.00 0.00 0.00 176.54 175.53 1f4j n HIS 466 N -3.08 0.00 0.15 5.60 -0.00 -0.49 -4.45 115.22 112.96 1f4j n HIS 466 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1f4j n HIS 466 Cb 0.14 -0.87 0.29 0.00 -0.00 0.00 0.00 29.99 29.54 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 0.00 0.07 -2.26 0.27 5.85 -0.64 -3.13 115.31 115.47 1f4j h LEU 467 Ca -0.50 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1f4j h LEU 467 Cb 1.85 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1f4j h LEU 467 CO -0.06 0.49 0.19 0.07 -0.34 0.00 0.00 178.44 178.79 1f4j h LYS 468 N 0.05 0.00 -0.00 1.25 5.09 -1.48 0.24 116.57 121.72 1f4j h LYS 468 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1f4j h LYS 468 Cb 0.78 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.11 1f4j h LYS 468 CO 0.06 0.00 -0.22 -0.25 -2.09 0.00 0.00 179.45 176.95 1f4j n ASP 469 N -2.87 0.37 -4.89 7.07 8.00 -1.18 -4.88 116.55 118.18 1f4j n ASP 469 Ca -0.02 -0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 1f4j n ASP 469 Cb 0.24 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.81 3.13 0.56 2.24 0.00 0.83 -4.68 121.76 121.03 1f4j s ALA 470 Ca 0.18 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 1f4j s ALA 470 Cb 0.19 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1f4j s ALA 470 CO 0.57 -0.78 1.18 -0.65 0.00 0.00 0.00 175.76 176.09 1f4j s GLN 471 N -5.12 3.21 0.22 0.00 -0.21 -1.26 -4.75 119.66 111.73 1f4j s GLN 471 Ca 0.54 1.77 -0.08 0.00 0.02 0.00 0.00 55.36 57.62 1f4j s GLN 471 Cb -0.11 -2.03 0.29 0.00 1.00 0.00 0.00 33.01 32.17 1f4j s GLN 471 CO 0.50 -1.00 1.79 0.82 -2.12 0.00 0.00 175.29 175.28 1f4j h ILE 472 N 1.14 0.90 -0.05 1.08 2.04 -1.95 0.45 117.51 121.12 1f4j h ILE 472 Ca -0.50 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1f4j h ILE 472 Cb 1.28 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1f4j h ILE 472 CO 0.56 0.11 0.04 2.19 0.00 0.00 0.00 178.15 181.06 1f4j h PHE 473 N 0.63 0.00 0.03 1.37 -5.15 -2.00 0.37 116.94 112.19 1f4j h PHE 473 Ca 0.33 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.91 1f4j h PHE 473 Cb 0.29 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.48 1f4j h PHE 473 CO -0.10 0.00 -0.74 0.82 -2.00 0.00 0.00 178.31 176.30 1f4j h ILE 474 N 0.00 1.41 -0.98 0.88 2.04 -1.51 -3.01 117.51 116.34 1f4j h ILE 474 Ca 0.02 -2.20 0.11 0.00 1.00 0.00 0.00 64.86 63.79 1f4j h ILE 474 Cb 0.10 2.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 1f4j h ILE 474 CO -0.00 0.64 0.61 1.56 0.00 0.00 0.00 178.15 180.97 1f4j h GLN 475 N -0.06 0.95 -0.08 2.37 4.20 0.13 -1.41 115.11 121.21 1f4j h GLN 475 Ca -0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1f4j h GLN 475 Cb 1.46 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1f4j h GLN 475 CO 0.14 0.63 0.02 0.87 -0.67 0.00 0.00 178.83 179.83 1f4j h LYS 476 N 0.98 0.13 -0.16 1.46 1.57 -0.40 -1.61 116.57 118.55 1f4j h LYS 476 Ca 0.48 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1f4j h LYS 476 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1f4j h LYS 476 CO -0.26 0.30 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.44 1f4j h LYS 477 N -0.08 0.29 0.46 3.15 3.64 -1.35 -1.33 116.57 121.36 1f4j h LYS 477 Ca 0.03 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1f4j h LYS 477 Cb 0.23 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1f4j h LYS 477 CO -0.00 0.54 -0.28 0.00 -2.27 0.00 0.00 179.45 177.44 1f4j h ALA 478 N 1.47 -0.70 -0.95 5.00 0.00 -1.10 -2.36 119.26 120.62 1f4j h ALA 478 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1f4j h ALA 478 Cb 0.61 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1f4j h ALA 478 CO 0.04 -0.91 0.63 0.28 0.00 0.00 0.00 179.25 179.29 1f4j h VAL 479 N -0.70 1.20 -0.66 0.00 2.07 -1.04 -1.73 116.25 115.40 1f4j h VAL 479 Ca -0.05 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1f4j h VAL 479 Cb 0.57 -0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1f4j h VAL 479 CO 0.06 0.23 0.32 0.11 0.02 0.00 0.00 177.57 178.30 1f4j h LYS 480 N 1.24 0.55 -0.20 1.57 1.57 -0.94 -0.39 116.57 119.96 1f4j h LYS 480 Ca 0.36 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 1f4j h LYS 480 Cb -0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1f4j h LYS 480 CO -0.10 0.36 0.04 -0.91 -0.57 0.00 0.00 179.45 178.27 1f4j h ASN 481 N 0.56 0.01 -0.00 0.86 2.35 -0.80 -1.90 115.58 116.66 1f4j h ASN 481 Ca 0.32 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1f4j h ASN 481 Cb 0.31 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1f4j h ASN 481 CO -0.25 0.03 -0.05 -0.26 -1.65 0.00 0.00 177.43 175.25 1f4j h PHE 482 N 0.12 0.15 -0.04 1.19 0.04 -0.93 -1.41 116.94 116.06 1f4j h PHE 482 Ca 0.09 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.77 1f4j h PHE 482 Cb 0.09 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1f4j h PHE 482 CO -0.15 0.21 -0.39 1.15 -0.60 0.00 0.00 178.31 178.54 1f4j h THR 483 N 0.15 1.29 0.00 -1.55 2.02 -0.34 -2.03 112.91 112.45 1f4j h THR 483 Ca 0.04 -1.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.74 1f4j h THR 483 Cb 0.20 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1f4j h THR 483 CO 0.01 0.41 -0.38 -0.33 0.37 0.00 0.00 175.52 175.60 1f4j h GLU 484 N 0.06 0.00 -0.01 6.66 4.39 -0.54 -2.84 114.58 122.30 1f4j h GLU 484 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1f4j h GLU 484 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1f4j h GLU 484 CO 0.05 0.38 -0.13 0.28 -1.16 0.00 0.00 179.01 178.43 1f4j h VAL 485 N 0.00 1.55 -1.36 3.13 2.07 -1.24 -3.47 116.25 116.93 1f4j h VAL 485 Ca -0.00 -1.79 0.14 0.00 0.82 0.00 0.00 66.70 65.86 1f4j h VAL 485 Cb 0.80 2.70 -0.23 0.00 -1.52 0.00 0.00 31.29 33.03 1f4j h VAL 485 CO 0.05 0.48 0.16 -2.28 0.02 0.00 0.00 177.57 176.00 1f4j s HIS 486 N -3.28 -0.83 0.57 1.57 2.46 -0.83 -4.65 115.29 110.29 1f4j s HIS 486 Ca -0.16 1.48 0.34 0.00 0.47 0.00 0.00 55.06 57.19 1f4j s HIS 486 Cb 0.00 0.50 1.41 0.00 -0.13 0.00 0.00 32.58 34.37 1f4j s HIS 486 CO 0.71 -0.41 1.69 -1.00 -2.47 0.00 0.00 174.74 173.26 1f4j h PRO 487 N 7.37 0.00 -0.09 2.88 0.13 -1.76 0.47 132.00 141.00 1f4j h PRO 487 Ca -0.19 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 1f4j h PRO 487 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1f4j h PRO 487 CO 0.11 0.00 -0.79 -0.44 -0.23 0.00 0.00 178.00 176.64 1f4j h ASP 488 N 0.00 0.66 0.63 1.44 3.45 -1.90 -0.96 116.42 119.73 1f4j h ASP 488 Ca 0.50 -0.45 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1f4j h ASP 488 Cb 2.31 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.88 1f4j h ASP 488 CO -0.01 1.22 -0.46 0.22 -1.57 0.00 0.00 179.24 178.65 1f4j h TYR 489 N 0.36 -1.24 0.46 4.55 5.03 -0.32 -0.90 116.97 124.91 1f4j h TYR 489 Ca -0.05 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1f4j h TYR 489 Cb 1.40 0.46 0.00 0.00 1.55 0.00 0.00 36.73 40.14 1f4j h TYR 489 CO 0.06 -0.65 -0.22 0.78 -1.32 0.00 0.00 178.16 176.81 1f4j h GLY 490 N -1.04 -0.64 0.58 1.82 0.00 -1.56 -2.60 103.07 99.64 1f4j h GLY 490 Ca -0.08 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.58 1f4j h GLY 490 CO 0.04 -0.23 0.59 1.48 0.00 0.00 0.00 176.54 178.41 1f4j h SER 491 N -0.64 0.89 -0.41 0.19 4.64 -1.18 0.38 113.55 117.40 1f4j h SER 491 Ca -0.06 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1f4j h SER 491 Cb 0.49 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1f4j h SER 491 CO 0.10 0.52 -0.14 -0.74 -0.87 0.00 0.00 176.83 175.70 1f4j h HIS 492 N 0.99 0.94 -0.46 4.77 6.17 -1.15 -0.92 115.15 125.48 1f4j h HIS 492 Ca 0.44 -0.22 -0.01 0.00 0.71 0.00 0.00 60.37 61.30 1f4j h HIS 492 Cb 0.33 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 1f4j h HIS 492 CO -0.02 0.96 0.25 0.82 0.71 0.00 0.00 177.93 180.66 1f4j h ILE 493 N 0.64 1.16 -0.69 6.26 2.04 -0.93 -1.91 117.51 124.09 1f4j h ILE 493 Ca 0.10 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1f4j h ILE 493 Cb 0.68 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1f4j h ILE 493 CO 0.05 0.17 0.45 -0.61 0.00 0.00 0.00 178.15 178.22 1f4j h GLN 494 N 0.61 0.66 0.54 2.37 5.75 -0.02 0.18 115.11 125.20 1f4j h GLN 494 Ca 0.16 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1f4j h GLN 494 Cb 0.05 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.46 1f4j h GLN 494 CO -0.03 0.44 -0.26 0.00 -2.65 0.00 0.00 178.83 176.33 1f4j h ALA 495 N 1.63 -0.73 -0.58 3.38 0.00 -0.39 -0.55 119.26 122.03 1f4j h ALA 495 Ca 0.30 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1f4j h ALA 495 Cb 0.31 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1f4j h ALA 495 CO -0.10 -0.88 0.33 -0.07 0.00 0.00 0.00 179.25 178.53 1f4j h LEU 496 N -0.79 0.51 -0.51 0.00 3.38 -0.98 -1.53 115.31 115.39 1f4j h LEU 496 Ca -0.07 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1f4j h LEU 496 Cb 0.58 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1f4j h LEU 496 CO 0.12 0.35 0.14 -0.07 0.09 0.00 0.00 178.44 179.07 1f4j h LEU 497 N 0.64 0.08 -0.60 1.67 3.38 -0.76 0.75 115.31 120.47 1f4j h LEU 497 Ca 0.25 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.37 1f4j h LEU 497 Cb 0.10 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1f4j h LEU 497 CO -0.14 0.07 0.27 0.44 0.09 0.00 0.00 178.44 179.17 1f4j h ASP 498 N 0.29 0.33 -0.09 -0.43 3.32 -0.23 0.32 116.42 119.93 1f4j h ASP 498 Ca 0.25 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.39 1f4j h ASP 498 Cb 0.31 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1f4j h ASP 498 CO -0.30 0.21 -0.11 0.50 -1.72 0.00 0.00 179.24 177.82 1f4j h LYS 499 N 0.49 -0.14 -0.06 3.56 3.64 -0.17 0.67 116.57 124.56 1f4j h LYS 499 Ca 0.29 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1f4j h LYS 499 Cb 0.29 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1f4j h LYS 499 CO -0.25 -0.09 -0.02 1.88 -2.27 0.00 0.00 179.45 178.70 1f4j h TYR 500 N -0.15 -0.04 0.00 1.91 0.05 0.66 -1.98 116.97 117.42 1f4j h TYR 500 Ca 0.07 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1f4j h TYR 500 Cb 0.25 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1f4j h TYR 500 CO -0.21 -0.03 0.00 0.09 -1.05 0.00 0.00 178.16 176.96 1f4j n ASN 501 N -5.13 0.49 0.29 3.88 3.02 0.96 -2.00 115.26 116.77 1f4j n ASN 501 Ca -0.06 0.63 0.18 0.00 -0.03 0.00 0.00 54.58 55.30 1f4j n ASN 501 Cb 0.06 -0.73 0.83 0.00 -0.61 0.00 0.00 39.78 39.34 1f4j n ASN 501 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4j h ALA 502 N 2.31 1.04 -0.03 5.41 0.00 -0.06 -3.50 119.26 124.44 1f4j h ALA 502 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f4j h ALA 502 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f4j h ALA 502 CO 0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68