#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4j s ASP 25 N 0.00 6.79 0.24 0.00 -1.08 -1.26 -5.03 116.67 116.33 1f4j s ASP 25 Ca 0.00 0.95 -0.31 0.00 -0.52 0.00 0.00 52.55 52.67 1f4j s ASP 25 Cb 0.00 -2.24 -0.11 0.00 -1.46 0.00 0.00 42.92 39.10 1f4j s ASP 25 CO 0.00 0.29 1.65 -0.69 0.52 0.00 0.00 175.17 176.94 1f4j s VAL 26 N -1.16 2.10 -0.09 1.11 1.01 -1.26 -4.94 120.40 117.17 1f4j s VAL 26 Ca 0.26 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 1f4j s VAL 26 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1f4j s VAL 26 CO 0.15 0.01 0.99 -0.22 0.00 0.00 0.00 175.10 176.02 1f4j s LEU 27 N 0.42 4.26 0.45 3.92 2.96 -1.26 -4.97 118.68 124.46 1f4j s LEU 27 Ca 0.69 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 1f4j s LEU 27 Cb -0.48 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 1f4j s LEU 27 CO 0.39 -0.41 0.02 0.42 -1.32 0.00 0.00 176.35 175.46 1f4j s THR 28 N 1.84 1.35 0.76 3.68 -4.23 -1.26 0.73 115.64 118.50 1f4j s THR 28 Ca 0.48 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1f4j s THR 28 Cb -0.19 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.29 1f4j s THR 28 CO 0.19 0.00 1.05 0.42 -0.54 0.00 0.00 174.62 175.74 1f4j s THR 29 N -2.90 2.18 0.51 3.99 -4.23 0.77 -4.82 115.64 111.15 1f4j s THR 29 Ca 0.19 -0.40 0.23 0.00 -1.18 0.00 0.00 61.69 60.53 1f4j s THR 29 Cb 0.05 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1f4j s THR 29 CO 0.10 0.00 2.14 1.23 -0.54 0.00 0.00 174.62 177.55 1f4j h GLY 30 N -0.74 0.00 0.95 3.99 0.00 -1.93 -1.65 103.07 103.70 1f4j h GLY 30 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1f4j h GLY 30 CO 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.99 1f4j n ALA 31 N -2.40 2.69 -0.48 3.60 0.00 -1.26 -4.87 120.51 117.79 1f4j n ALA 31 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1f4j n ALA 31 Cb 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.01 0.75 3.73 0.00 0.00 -0.62 -5.05 105.19 105.00 1f4j n GLY 32 Ca 0.24 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 6.95 0.28 1.61 0.02 -1.26 -4.80 114.94 115.63 1f4j s ASN 33 Ca 0.00 1.14 -0.30 0.00 -1.02 0.00 0.00 52.86 52.68 1f4j s ASN 33 Cb 0.00 -2.39 -0.11 0.00 0.02 0.00 0.00 41.25 38.77 1f4j s ASN 33 CO 0.00 -0.06 1.57 -2.84 0.02 0.00 0.00 177.10 175.79 1f4j s PRO 34 N 0.58 4.15 -0.25 -0.60 0.02 -1.26 -0.16 135.00 137.47 1f4j s PRO 34 Ca 0.35 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.77 1f4j s PRO 34 Cb -0.18 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1f4j s PRO 34 CO 0.17 -0.60 0.23 0.08 -0.33 0.00 0.00 177.00 176.55 1f4j s VAL 35 N 0.09 5.30 0.08 3.83 1.01 0.22 -4.86 120.40 126.07 1f4j s VAL 35 Ca 0.63 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.76 1f4j s VAL 35 Cb -0.47 -3.56 -0.22 0.00 0.00 0.00 0.00 36.38 32.13 1f4j s VAL 35 CO 0.46 0.28 1.21 1.23 0.00 0.00 0.00 175.10 178.27 1f4j h GLY 36 N 7.98 0.79 -6.33 4.51 0.00 -1.94 -3.44 103.07 104.64 1f4j h GLY 36 Ca -0.36 -1.34 -0.12 0.00 0.00 0.00 0.00 47.33 45.50 1f4j h GLY 36 CO 0.62 1.19 -0.44 -0.35 0.00 0.00 0.00 176.54 177.56 1f4j s ASP 37 N -7.25 0.03 -0.38 0.19 3.68 -1.26 -5.02 116.67 106.66 1f4j s ASP 37 Ca -0.10 0.41 0.06 0.00 2.13 0.00 0.00 52.55 55.05 1f4j s ASP 37 Cb 0.07 1.24 0.50 0.00 -1.45 0.00 0.00 42.92 43.28 1f4j s ASP 37 CO 0.92 -0.28 1.55 1.17 0.13 0.00 0.00 175.17 178.65 1f4j n LYS 38 N 5.37 2.47 0.00 4.34 4.81 -1.26 -4.44 118.16 129.45 1f4j n LYS 38 Ca -0.04 -3.44 0.00 0.00 -0.87 0.00 0.00 58.31 53.96 1f4j n LYS 38 Cb 0.50 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1f4j n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f4j n LEU 39 N -0.99 0.35 -3.76 3.14 4.77 -1.26 -5.03 117.00 114.23 1f4j n LEU 39 Ca 0.44 -0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1f4j n LEU 39 Cb 1.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.96 1f4j n LEU 39 CO 0.39 0.09 -0.17 0.20 -1.33 0.00 0.00 177.39 176.57 1f4j s ASN 40 N -0.30 -0.19 0.33 -1.43 0.01 -1.26 -5.16 114.94 106.94 1f4j s ASN 40 Ca 0.00 0.39 -0.08 0.00 -0.71 0.00 0.00 52.86 52.46 1f4j s ASN 40 Cb 0.00 0.32 -0.06 0.00 0.41 0.00 0.00 41.25 41.92 1f4j s ASN 40 CO 0.00 -0.12 0.65 0.54 -1.51 0.00 0.00 177.10 176.66 1f4j s VAL 41 N 0.81 4.90 -0.17 1.60 0.11 -1.26 -4.96 120.40 121.42 1f4j s VAL 41 Ca -0.06 0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 59.09 1f4j s VAL 41 Cb -0.07 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1f4j s VAL 41 CO -0.05 -0.36 1.23 -0.63 -3.33 0.00 0.00 175.10 171.97 1f4j s ILE 42 N -2.15 4.33 0.14 7.04 1.01 -1.26 -5.02 121.20 125.28 1f4j s ILE 42 Ca 0.48 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.78 1f4j s ILE 42 Cb -0.11 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1f4j s ILE 42 CO 0.28 -0.14 -0.10 0.42 0.00 0.00 0.00 174.94 175.41 1f4j s THR 43 N 3.40 1.14 -0.87 2.92 -4.23 -1.26 -1.42 115.64 115.31 1f4j s THR 43 Ca 0.53 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1f4j s THR 43 Cb -0.21 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 71.90 1f4j s THR 43 CO 0.14 -0.73 1.26 0.54 -0.54 0.00 0.00 174.62 175.30 1f4j s VAL 44 N -3.23 4.10 0.00 2.29 0.11 -0.62 -4.80 120.40 118.26 1f4j s VAL 44 Ca 0.15 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1f4j s VAL 44 Cb 0.02 -4.91 0.00 0.00 -1.53 0.00 0.00 36.38 29.96 1f4j s VAL 44 CO 0.00 -1.75 0.00 0.61 -3.33 0.00 0.00 175.10 170.63 1f4j n GLY 45 N 5.98 -2.10 0.33 6.54 0.00 -1.26 -2.45 105.19 112.23 1f4j n GLY 45 Ca 0.18 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.39 132.00 129.15 1f4j h PRO 46 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1f4j h PRO 46 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1f4j h PRO 46 CO 0.00 0.00 -0.19 0.54 -0.23 0.00 0.00 178.00 178.12 1f4j n ARG 47 N -4.41 1.81 -3.08 0.86 5.12 -1.26 -5.04 116.66 110.66 1f4j n ARG 47 Ca 0.04 -3.11 -0.20 0.00 -1.93 0.00 0.00 57.85 52.65 1f4j n ARG 47 Cb 0.38 -1.72 0.04 0.00 -1.16 0.00 0.00 32.46 30.00 1f4j n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f4j n GLY 48 N -1.10 2.24 3.78 -0.13 0.00 -0.90 -5.04 105.19 104.05 1f4j n GLY 48 Ca 0.25 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1f4j n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f4j s PRO 49 N -4.27 1.44 0.24 1.61 0.04 -1.26 -4.45 135.00 128.35 1f4j s PRO 49 Ca 0.46 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1f4j s PRO 49 Cb -0.04 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1f4j s PRO 49 CO 0.29 -2.03 0.97 -1.17 0.04 0.00 0.00 177.00 175.10 1f4j s LEU 50 N -5.98 4.62 -0.01 -3.56 2.96 -1.26 -1.59 118.68 113.86 1f4j s LEU 50 Ca 0.63 1.99 -0.02 0.00 -0.22 0.00 0.00 54.13 56.51 1f4j s LEU 50 Cb -0.15 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1f4j s LEU 50 CO 0.54 0.09 0.16 -0.76 -1.32 0.00 0.00 176.35 175.06 1f4j s LEU 51 N -1.12 4.27 0.50 -0.68 1.43 -0.51 -4.96 118.68 117.61 1f4j s LEU 51 Ca 0.42 0.30 0.29 0.00 -1.03 0.00 0.00 54.13 54.11 1f4j s LEU 51 Cb -0.27 -2.54 1.14 0.00 0.03 0.00 0.00 46.19 44.55 1f4j s LEU 51 CO 0.33 0.26 1.91 0.58 0.23 0.00 0.00 176.35 179.66 1f4j h VAL 52 N 2.89 0.24 0.00 -1.59 2.07 -1.98 -2.53 116.25 115.36 1f4j h VAL 52 Ca -0.49 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1f4j h VAL 52 Cb 1.19 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1f4j h VAL 52 CO 0.68 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.36 1f4j n GLN 53 N -3.23 0.95 -2.56 1.57 10.64 -1.26 -3.98 117.38 119.52 1f4j n GLN 53 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1f4j n GLN 53 Cb 0.36 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 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 -0.71 5.13 0.21 2.61 -0.08 -0.96 -4.71 116.55 118.05 1f4j n ASP 54 Ca 0.09 -3.06 0.06 0.00 -1.51 0.00 0.00 54.79 50.38 1f4j n ASP 54 Cb 0.04 -1.51 0.45 0.00 2.34 0.00 0.00 41.12 42.44 1f4j n ASP 54 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1f4j h VAL 55 N 4.08 0.96 -0.35 5.18 2.07 -1.87 -2.78 116.25 123.55 1f4j h VAL 55 Ca 0.37 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1f4j h VAL 55 Cb 0.72 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1f4j h VAL 55 CO 1.49 0.30 0.21 0.58 0.02 0.00 0.00 177.57 180.17 1f4j h VAL 56 N 0.00 1.06 0.46 2.57 2.07 -1.94 0.20 116.25 120.66 1f4j h VAL 56 Ca -0.00 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1f4j h VAL 56 Cb 0.64 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1f4j h VAL 56 CO 0.04 0.08 -0.22 0.15 0.02 0.00 0.00 177.57 177.64 1f4j h PHE 57 N 0.43 -0.57 -0.38 1.57 3.57 -1.90 -2.03 116.94 117.63 1f4j h PHE 57 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1f4j h PHE 57 Cb -0.02 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1f4j h PHE 57 CO -0.07 -0.30 0.12 1.15 -2.23 0.00 0.00 178.31 176.98 1f4j h THR 58 N -0.73 0.87 -0.20 4.41 2.02 -1.38 0.17 112.91 118.08 1f4j h THR 58 Ca -0.06 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1f4j h THR 58 Cb 0.53 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1f4j h THR 58 CO 0.10 0.05 -0.09 -0.78 0.37 0.00 0.00 175.52 175.17 1f4j h ASP 59 N 0.26 -0.30 -0.47 4.18 3.58 -0.58 0.51 116.42 123.60 1f4j h ASP 59 Ca 0.17 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.57 1f4j h ASP 59 Cb 0.17 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1f4j h ASP 59 CO -0.19 -0.12 -0.23 -0.08 -2.88 0.00 0.00 179.24 175.74 1f4j h GLU 60 N -0.06 0.99 -0.37 0.28 4.81 -0.97 -2.89 114.58 116.37 1f4j h GLU 60 Ca 0.11 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1f4j h GLU 60 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1f4j h GLU 60 CO -0.24 1.11 -0.07 1.98 -0.73 0.00 0.00 179.01 181.06 1f4j h MET 61 N 0.85 0.71 -0.96 1.92 4.05 -0.23 -1.73 114.93 119.55 1f4j h MET 61 Ca 0.11 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1f4j h MET 61 Cb 0.81 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.51 1f4j h MET 61 CO 0.07 0.85 0.62 0.00 0.23 0.00 0.00 176.91 178.68 1f4j h ALA 62 N 0.84 1.30 -0.03 0.39 0.00 0.00 -0.16 119.26 121.60 1f4j h ALA 62 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1f4j h ALA 62 Cb 0.58 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f4j h ALA 62 CO 0.03 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 1f4j h HIS 63 N 1.15 0.06 -0.98 0.00 6.17 -1.34 -2.88 115.15 117.34 1f4j h HIS 63 Ca 0.40 -0.02 0.20 0.00 0.71 0.00 0.00 60.37 61.66 1f4j h HIS 63 Cb 0.09 -0.01 -0.09 0.00 2.52 0.00 0.00 27.41 29.91 1f4j h HIS 63 CO -0.01 0.47 0.61 0.35 0.71 0.00 0.00 177.93 180.06 1f4j h PHE 64 N -0.36 0.89 0.00 5.26 3.57 -0.89 0.80 116.94 126.21 1f4j h PHE 64 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1f4j h PHE 64 Cb 0.45 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1f4j h PHE 64 CO 0.07 0.21 0.00 -0.44 -2.23 0.00 0.00 178.31 175.92 1f4j h ASP 65 N 0.65 0.00 0.00 0.41 3.32 -0.82 -2.85 116.42 117.13 1f4j h ASP 65 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1f4j h ASP 65 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1f4j h ASP 65 CO -0.31 0.00 -0.02 0.54 -1.72 0.00 0.00 179.24 177.74 1f4j n ARG 66 N -2.41 1.75 -0.06 3.56 1.74 0.25 -4.76 116.66 116.73 1f4j n ARG 66 Ca -0.00 -2.16 0.09 0.00 -0.77 0.00 0.00 57.85 55.00 1f4j n ARG 66 Cb 0.12 -1.30 0.46 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.00 0.48 -6.47 5.56 5.08 -1.27 -3.43 114.58 114.52 1f4j h GLU 67 Ca 0.00 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.80 1f4j h GLU 67 Cb 0.86 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1f4j h GLU 67 CO 0.00 0.32 0.13 1.03 -1.00 0.00 0.00 179.01 179.49 1f4j s ARG 68 N -5.45 4.47 0.28 2.33 1.81 -1.26 -5.08 118.95 116.04 1f4j s ARG 68 Ca -0.08 1.06 0.08 0.00 -1.72 0.00 0.00 55.73 55.06 1f4j s ARG 68 Cb 0.19 -3.23 -0.06 0.00 -0.45 0.00 0.00 34.95 31.40 1f4j s ARG 68 CO 0.74 0.57 -0.09 0.96 -0.68 0.00 0.00 175.30 176.81 1f4j s ILE 69 N -1.17 1.79 0.33 1.52 -4.36 -1.26 -5.11 121.20 112.95 1f4j s ILE 69 Ca 0.35 -2.17 -0.29 0.00 -0.26 0.00 0.00 60.65 58.28 1f4j s ILE 69 Cb -0.22 -2.40 -0.10 0.00 1.25 0.00 0.00 42.46 40.99 1f4j s ILE 69 CO 0.24 -0.34 1.36 -2.84 0.24 0.00 0.00 174.94 173.60 1f4j s PRO 70 N -3.68 4.29 0.70 0.37 0.02 -1.26 -5.00 135.00 130.44 1f4j s PRO 70 Ca 0.29 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 1f4j s PRO 70 Cb 0.02 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.51 1f4j s PRO 70 CO 0.12 -0.29 1.08 -1.83 -0.33 0.00 0.00 177.00 175.75 1f4j s GLU 71 N -1.74 2.78 0.54 5.54 -1.05 -1.26 -4.90 118.70 118.61 1f4j s GLU 71 Ca 0.51 0.36 -0.21 0.00 -0.15 0.00 0.00 54.97 55.48 1f4j s GLU 71 Cb -0.41 -2.05 -0.06 0.00 -0.44 0.00 0.00 34.13 31.16 1f4j s GLU 71 CO 0.54 -1.04 1.09 0.54 0.95 0.00 0.00 175.26 177.34 1f4j n ARG 72 N -2.98 1.26 0.23 -4.83 1.74 -1.26 -4.88 116.66 105.93 1f4j n ARG 72 Ca 0.07 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.70 1f4j n ARG 72 Cb 0.58 -2.26 0.54 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.04 0.85 -3.88 1.55 3.04 -1.98 -3.39 116.25 113.47 1f4j h VAL 73 Ca -0.48 -0.89 -0.12 0.00 -1.01 0.00 0.00 66.70 64.21 1f4j h VAL 73 Cb 1.34 1.53 -0.16 0.00 -2.01 0.00 0.00 31.29 31.98 1f4j h VAL 73 CO 0.54 0.22 -0.51 0.68 -1.01 0.00 0.00 177.57 177.49 1f4j s VAL 74 N -4.14 0.15 -1.52 1.51 -7.23 -1.26 -4.86 120.40 103.04 1f4j s VAL 74 Ca -0.02 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1f4j s VAL 74 Cb 0.13 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1f4j s VAL 74 CO 0.65 -0.68 0.23 1.41 -0.31 0.00 0.00 175.10 176.39 1f4j n HIS 75 N 0.45 -1.25 -0.30 2.82 -0.00 -0.70 -4.91 115.22 111.32 1f4j n HIS 75 Ca -0.17 0.19 -0.03 0.00 -0.00 0.00 0.00 57.72 57.71 1f4j n HIS 75 Cb 0.60 -3.87 0.08 0.00 -0.00 0.00 0.00 29.99 26.80 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 0.90 1.06 -2.07 -1.41 0.00 -1.76 -3.40 119.26 112.57 1f4j h ALA 76 Ca -0.46 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1f4j h ALA 76 Cb 1.33 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1f4j h ALA 76 CO 0.52 0.44 0.64 0.21 0.00 0.00 0.00 179.25 181.07 1f4j s LYS 77 N -6.13 3.98 0.24 0.00 2.47 -1.25 -4.61 119.74 114.45 1f4j s LYS 77 Ca -0.13 0.81 0.01 0.00 -1.56 0.00 0.00 55.97 55.10 1f4j s LYS 77 Cb 0.16 -3.75 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1f4j s LYS 77 CO 0.79 -0.83 0.20 0.20 0.16 0.00 0.00 175.35 175.86 1f4j s GLY 78 N 1.68 1.65 -0.01 5.54 0.00 -1.26 -2.40 107.32 112.52 1f4j s GLY 78 Ca 0.39 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1f4j s GLY 78 CO 0.15 -1.38 0.02 0.00 0.00 0.00 0.00 173.10 171.89 1f4j s ALA 79 N -3.92 0.09 0.19 3.20 0.00 -0.63 -4.94 121.76 115.75 1f4j s ALA 79 Ca 0.39 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1f4j s ALA 79 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1f4j s ALA 79 CO 0.16 -0.07 -0.16 0.20 0.00 0.00 0.00 175.76 175.90 1f4j s GLY 80 N 0.72 1.41 0.36 0.00 0.00 -1.26 -0.32 107.32 108.22 1f4j s GLY 80 Ca -0.06 -1.57 -0.08 0.00 0.00 0.00 0.00 44.72 43.00 1f4j s GLY 80 CO -0.02 -1.65 0.61 0.00 0.00 0.00 0.00 173.10 172.04 1f4j s ALA 81 N -2.49 0.10 0.03 3.20 0.00 -0.50 -4.34 121.76 117.76 1f4j s ALA 81 Ca 0.19 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1f4j s ALA 81 Cb -0.03 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 1f4j s ALA 81 CO 0.07 -0.88 -0.03 -0.06 0.00 0.00 0.00 175.76 174.86 1f4j s PHE 82 N -2.80 0.34 0.00 0.00 0.40 0.09 -1.49 117.98 114.52 1f4j s PHE 82 Ca 0.24 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1f4j s PHE 82 Cb -0.02 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.25 1f4j s PHE 82 CO 0.16 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.24 1f4j n GLY 83 N 1.14 1.42 3.59 4.36 0.00 -0.48 -0.25 105.19 114.97 1f4j n GLY 83 Ca -0.21 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 1.24 -0.22 -0.01 1.61 -0.85 0.43 -1.00 117.35 118.54 1f4j s TYR 84 Ca 0.00 -0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.48 1f4j s TYR 84 Cb 0.00 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1f4j s TYR 84 CO 0.00 -0.99 -0.15 0.12 -1.52 0.00 0.00 175.55 173.01 1f4j s PHE 85 N -3.86 2.67 -0.06 -3.49 5.36 0.28 -1.34 117.98 117.53 1f4j s PHE 85 Ca 0.08 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 1f4j s PHE 85 Cb -0.02 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 1f4j s PHE 85 CO -0.02 0.23 -0.05 -2.00 -1.46 0.00 0.00 175.22 171.92 1f4j s GLU 86 N -1.07 0.94 0.00 10.12 2.12 -0.26 0.02 118.70 130.57 1f4j s GLU 86 Ca 0.13 -0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 1f4j s GLU 86 Cb -0.11 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.26 1f4j s GLU 86 CO 0.03 -0.13 1.16 0.08 -0.54 0.00 0.00 175.26 175.87 1f4j s VAL 87 N 1.15 4.27 -0.10 3.70 1.01 0.54 -0.87 120.40 130.09 1f4j s VAL 87 Ca -0.07 1.61 0.07 0.00 0.00 0.00 0.00 61.98 63.59 1f4j s VAL 87 Cb -0.14 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1f4j s VAL 87 CO -0.01 0.08 -0.00 0.35 0.00 0.00 0.00 175.10 175.51 1f4j n THR 88 N 4.19 0.67 -4.69 3.92 -2.24 0.09 0.92 114.28 117.14 1f4j n THR 88 Ca 0.09 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 1f4j n THR 88 Cb 0.47 -0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.24 2.16 -0.30 4.78 3.76 -0.22 -4.78 115.29 118.46 1f4j s HIS 89 Ca -0.08 -0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 53.92 1f4j s HIS 89 Cb 0.03 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1f4j s HIS 89 CO 0.36 0.32 0.12 0.34 -0.85 0.00 0.00 174.74 175.04 1f4j s ASP 90 N -3.81 5.37 -0.05 1.40 -1.08 -1.26 -4.59 116.67 112.65 1f4j s ASP 90 Ca 0.19 -0.54 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 1f4j s ASP 90 Cb 0.05 -1.96 0.11 0.00 -1.46 0.00 0.00 42.92 39.67 1f4j s ASP 90 CO 0.10 -0.17 1.05 2.30 0.52 0.00 0.00 175.17 178.96 1f4j n ILE 91 N 4.94 1.30 0.26 4.11 -5.35 -1.26 -4.73 119.36 118.63 1f4j n ILE 91 Ca -0.14 -1.44 0.12 0.00 -0.27 0.00 0.00 62.75 61.01 1f4j n ILE 91 Cb 0.49 0.23 0.65 0.00 -1.74 0.00 0.00 39.64 39.27 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 0.18 0.00 0.00 7.28 1.35 -1.84 0.88 112.91 120.77 1f4j h THR 92 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1f4j h THR 92 Cb 0.72 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1f4j h THR 92 CO 0.00 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 175.34 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 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1f4j h LYS 93 Cb 0.55 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.81 1f4j h LYS 93 CO 0.00 0.00 -2.33 0.66 -2.00 0.00 0.00 179.45 175.78 1f4j n TYR 94 N -3.08 0.00 -3.93 0.07 4.01 0.29 -4.69 117.16 109.83 1f4j n TYR 94 Ca 0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 1f4j n TYR 94 Cb 0.45 -0.93 -0.15 0.00 -0.31 0.00 0.00 39.34 38.39 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 -5.70 0.28 0.00 7.72 0.15 -0.49 -2.65 113.70 113.01 1f4j s SER 95 Ca -0.18 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 56.73 1f4j s SER 95 Cb 0.07 -0.11 1.03 0.00 -1.71 0.00 0.00 66.02 65.30 1f4j s SER 95 CO 0.70 -0.04 1.74 2.29 1.20 0.00 0.00 173.24 179.13 1f4j n LYS 96 N 3.62 0.62 -1.67 5.44 2.85 0.12 -4.20 118.16 124.94 1f4j n LYS 96 Ca -0.20 -0.27 -0.52 0.00 -1.05 0.00 0.00 58.31 56.27 1f4j n LYS 96 Cb 0.54 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.37 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 -0.95 0.07 -0.31 0.58 0.00 -1.14 -4.82 120.51 113.94 1f4j n ALA 97 Ca 0.13 0.41 0.16 0.00 0.00 0.00 0.00 53.44 54.14 1f4j n ALA 97 Cb 0.31 -2.26 0.41 0.00 0.00 0.00 0.00 19.45 17.91 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 6.73 0.58 -0.13 0.00 1.57 -1.92 -0.35 116.57 123.04 1f4j h LYS 98 Ca -0.47 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1f4j h LYS 98 Cb 1.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1f4j h LYS 98 CO 0.90 0.38 0.34 -0.24 -0.57 0.00 0.00 179.45 180.26 1f4j h VAL 99 N 0.59 0.14 -0.04 0.50 3.04 -1.94 0.39 116.25 118.95 1f4j h VAL 99 Ca 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.22 1f4j h VAL 99 Cb 1.06 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1f4j h VAL 99 CO -0.29 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.76 1f4j n PHE 100 N -3.20 0.03 -0.17 3.17 3.72 -0.15 -4.80 117.46 116.05 1f4j n PHE 100 Ca 0.01 -0.02 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1f4j n PHE 100 Cb 0.43 -0.00 0.07 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 0.78 -0.04 -3.60 -1.08 2.13 0.14 -4.63 120.64 114.33 1f4j n GLU 101 Ca 0.08 0.75 -0.15 0.00 0.66 0.00 0.00 57.16 58.50 1f4j n GLU 101 Cb 0.35 -1.12 -0.06 0.00 0.27 0.00 0.00 31.44 30.88 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 -5.59 -0.44 0.26 4.31 -3.43 -1.26 -4.94 115.29 104.19 1f4j s HIS 102 Ca -0.07 0.65 -0.31 0.00 -0.80 0.00 0.00 55.06 54.53 1f4j s HIS 102 Cb 0.13 0.30 -0.12 0.00 -1.43 0.00 0.00 32.58 31.46 1f4j s HIS 102 CO 0.38 -0.57 1.55 -0.89 -2.00 0.00 0.00 174.74 173.21 1f4j n ILE 103 N 0.80 0.82 -0.12 -5.38 5.41 -1.26 -1.69 119.36 117.93 1f4j n ILE 103 Ca -0.19 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1f4j n ILE 103 Cb 0.58 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1f4j n ILE 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f4j n GLY 104 N 2.45 0.89 3.73 7.39 0.00 0.26 -4.99 105.19 114.93 1f4j n GLY 104 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.66 4.43 -0.08 1.61 2.20 -0.68 -4.67 119.74 121.89 1f4j s LYS 105 Ca 0.00 1.96 0.03 0.00 -0.36 0.00 0.00 55.97 57.60 1f4j s LYS 105 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1f4j s LYS 105 CO 0.00 -0.19 -0.17 0.15 -0.36 0.00 0.00 175.35 174.78 1f4j s LYS 106 N -0.00 2.78 -0.06 4.03 1.02 -1.26 -0.34 119.74 125.91 1f4j s LYS 106 Ca 0.56 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.82 1f4j s LYS 106 Cb -0.34 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1f4j s LYS 106 CO 0.36 0.44 -0.14 0.99 -0.92 0.00 0.00 175.35 176.08 1f4j s THR 107 N -0.25 1.22 0.37 2.17 2.01 0.10 -4.93 115.64 116.32 1f4j s THR 107 Ca 0.01 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 1f4j s THR 107 Cb -0.13 -1.09 -0.10 0.00 0.01 0.00 0.00 72.50 71.19 1f4j s THR 107 CO 0.03 0.37 1.39 -2.84 -0.69 0.00 0.00 174.62 172.88 1f4j s PRO 108 N 0.49 4.16 0.14 4.92 0.02 -1.26 0.98 135.00 144.45 1f4j s PRO 108 Ca -0.12 2.37 0.05 0.00 0.02 0.00 0.00 61.00 63.32 1f4j s PRO 108 Cb -0.15 -2.96 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 1f4j s PRO 108 CO 0.04 -0.41 -0.12 0.96 -0.33 0.00 0.00 177.00 177.14 1f4j s ILE 109 N -1.15 1.23 -0.03 2.83 -4.36 -0.17 -1.68 121.20 117.88 1f4j s ILE 109 Ca 0.52 -1.91 0.05 0.00 -0.26 0.00 0.00 60.65 59.05 1f4j s ILE 109 Cb -0.43 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1f4j s ILE 109 CO 0.57 -0.61 -0.18 0.00 0.24 0.00 0.00 174.94 174.96 1f4j s ALA 110 N -2.82 1.53 0.04 2.27 0.00 -0.50 -1.38 121.76 120.90 1f4j s ALA 110 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1f4j s ALA 110 Cb -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1f4j s ALA 110 CO 0.02 0.33 -0.08 0.08 0.00 0.00 0.00 175.76 176.11 1f4j s VAL 111 N -0.24 0.54 -0.06 0.00 1.01 -0.56 -0.21 120.40 120.88 1f4j s VAL 111 Ca 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1f4j s VAL 111 Cb -0.09 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.73 1f4j s VAL 111 CO 0.01 -0.36 0.12 -0.60 0.00 0.00 0.00 175.10 174.26 1f4j s ARG 112 N -1.53 0.00 0.37 2.72 3.52 -0.89 -1.41 118.95 121.73 1f4j s ARG 112 Ca -0.10 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1f4j s ARG 112 Cb -0.10 -0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 32.96 1f4j s ARG 112 CO 0.00 -0.28 0.53 -0.06 -0.81 0.00 0.00 175.30 174.68 1f4j s PHE 113 N 2.01 3.18 -0.14 5.12 0.08 0.56 -1.96 117.98 126.82 1f4j s PHE 113 Ca 0.01 -0.05 -0.34 0.00 0.12 0.00 0.00 56.93 56.67 1f4j s PHE 113 Cb -0.12 -2.07 0.14 0.00 -0.57 0.00 0.00 43.02 40.40 1f4j s PHE 113 CO -0.05 -0.10 1.37 -1.54 -0.10 0.00 0.00 175.22 174.80 1f4j s SER 114 N -4.17 -0.03 0.19 1.36 1.04 -0.76 -1.60 113.70 109.73 1f4j s SER 114 Ca 0.45 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1f4j s SER 114 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1f4j s SER 114 CO 0.33 -0.10 0.00 0.35 0.98 0.00 0.00 173.24 174.81 1f4j n THR 115 N -0.31 0.00 0.04 2.02 -2.24 -1.01 -0.02 114.28 112.76 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 -1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.04 1.18 0.09 2.28 0.31 -1.26 -3.72 118.33 116.17 1f4j n VAL 116 Ca 0.00 0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 64.60 1f4j n VAL 116 Cb 0.00 -1.61 -0.09 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.03 0.32 -2.88 3.52 0.00 -1.94 -1.87 119.26 116.37 1f4j h ALA 117 Ca -0.00 -0.83 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 1f4j h ALA 117 Cb 0.09 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 17.92 1f4j h ALA 117 CO -0.00 1.02 0.55 0.20 0.00 0.00 0.00 179.25 181.02 1f4j s GLY 118 N -4.61 2.84 0.78 0.00 0.00 -1.26 -4.90 107.32 100.16 1f4j s GLY 118 Ca -0.02 1.16 -0.04 0.00 0.00 0.00 0.00 44.72 45.82 1f4j s GLY 118 CO 0.85 1.64 1.07 -1.83 0.00 0.00 0.00 173.10 174.83 1f4j s GLU 119 N -2.85 1.42 0.62 2.90 1.03 -1.26 -3.93 118.70 116.63 1f4j s GLU 119 Ca 0.69 -1.01 0.21 0.00 0.03 0.00 0.00 54.97 54.88 1f4j s GLU 119 Cb -0.35 -2.23 0.74 0.00 -0.80 0.00 0.00 34.13 31.48 1f4j s GLU 119 CO 0.42 -1.67 1.25 0.77 -1.33 0.00 0.00 175.26 174.69 1f4j h SER 120 N -0.77 0.00 -0.38 0.83 0.02 -1.96 -0.48 113.55 110.82 1f4j h SER 120 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1f4j h SER 120 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1f4j h SER 120 CO 0.39 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1f4j n GLY 121 N -1.67 2.73 3.72 -3.77 0.00 -1.26 -4.83 105.19 100.11 1f4j n GLY 121 Ca 0.18 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1f4j n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f4j s SER 122 N -1.00 2.71 0.29 1.61 1.04 -0.19 -5.02 113.70 113.13 1f4j s SER 122 Ca 0.25 0.98 -0.26 0.00 0.48 0.00 0.00 55.95 57.40 1f4j s SER 122 Cb 0.13 -1.53 -0.09 0.00 0.10 0.00 0.00 66.02 64.63 1f4j s SER 122 CO 0.17 -3.05 0.90 0.00 0.98 0.00 0.00 173.24 172.24 1f4j s ALA 123 N -3.13 3.27 -0.02 5.32 0.00 -1.26 -4.80 121.76 121.15 1f4j s ALA 123 Ca 0.66 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1f4j s ALA 123 Cb -0.15 -3.12 -0.23 0.00 0.00 0.00 0.00 23.12 19.62 1f4j s ALA 123 CO 0.56 0.21 1.09 -0.44 0.00 0.00 0.00 175.76 177.18 1f4j h ASP 124 N 3.42 0.37 -0.31 0.00 5.19 -1.20 -3.38 116.42 120.51 1f4j h ASP 124 Ca -0.47 -0.74 -0.72 0.00 -0.62 0.00 0.00 57.03 54.49 1f4j h ASP 124 Cb 1.19 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 1f4j h ASP 124 CO 0.65 1.06 2.98 0.35 -3.12 0.00 0.00 179.24 181.16 1f4j n THR 125 N -4.39 3.79 -4.26 0.35 -2.24 -1.26 -4.89 114.28 101.38 1f4j n THR 125 Ca -0.10 -3.28 -0.14 0.00 -2.27 0.00 0.00 64.05 58.26 1f4j n THR 125 Cb 0.56 -2.54 -0.10 0.00 -2.10 0.00 0.00 70.33 66.15 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 2.37 1.03 0.10 2.28 -7.23 -1.26 -4.42 120.40 113.27 1f4j s VAL 126 Ca 0.48 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.31 1f4j s VAL 126 Cb 0.14 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 1f4j s VAL 126 CO -0.07 -0.63 1.28 -0.60 -0.31 0.00 0.00 175.10 174.77 1f4j s ARG 127 N -3.80 4.39 0.00 4.82 3.52 -1.26 -4.76 118.95 121.86 1f4j s ARG 127 Ca 0.20 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1f4j s ARG 127 Cb 0.04 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1f4j s ARG 127 CO 0.02 -0.31 0.00 -3.47 -0.81 0.00 0.00 175.30 170.74 1f4j n ASP 128 N 3.70 0.00 -3.37 -2.12 2.03 -1.18 -5.02 116.55 110.59 1f4j n ASP 128 Ca 0.09 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.16 1f4j n ASP 128 Cb 0.44 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.04 1f4j n ASP 128 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1f4j n PRO 129 N -0.46 -2.58 -3.79 -0.67 -0.02 -1.26 -4.77 135.00 121.45 1f4j n PRO 129 Ca 0.00 -1.43 -0.20 0.00 -2.02 0.00 0.00 63.50 59.85 1f4j n PRO 129 Cb 0.00 -1.30 -0.17 0.00 -0.02 0.00 0.00 33.50 32.01 1f4j n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f4j s ARG 130 N -5.04 0.25 0.31 -0.52 1.81 -1.26 -4.17 118.95 110.34 1f4j s ARG 130 Ca 0.58 0.19 -0.28 0.00 -1.72 0.00 0.00 55.73 54.49 1f4j s ARG 130 Cb -0.05 -0.62 -0.09 0.00 -0.45 0.00 0.00 34.95 33.73 1f4j s ARG 130 CO 0.44 -0.25 1.13 0.20 -0.68 0.00 0.00 175.30 176.14 1f4j s GLY 131 N 1.67 3.01 -0.41 -3.53 0.00 0.97 -1.37 107.32 107.67 1f4j s GLY 131 Ca -0.01 0.94 0.06 0.00 0.00 0.00 0.00 44.72 45.72 1f4j s GLY 131 CO -0.03 1.52 0.46 0.33 0.00 0.00 0.00 173.10 175.38 1f4j n PHE 132 N 0.90 -0.47 -3.04 1.90 -0.00 0.19 -1.82 117.46 115.11 1f4j n PHE 132 Ca 0.00 -3.48 -0.40 0.00 -0.00 0.00 0.00 57.45 53.57 1f4j n PHE 132 Cb 0.45 -0.13 -0.05 0.00 -0.00 0.00 0.00 39.48 39.75 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 -0.75 3.40 -0.10 3.13 0.00 -0.83 -2.91 121.76 123.70 1f4j s ALA 133 Ca 0.34 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1f4j s ALA 133 Cb 0.12 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1f4j s ALA 133 CO -0.14 0.09 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 1f4j s VAL 134 N -0.09 1.32 -0.25 0.00 1.01 -0.30 -2.10 120.40 119.99 1f4j s VAL 134 Ca 0.36 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1f4j s VAL 134 Cb -0.20 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1f4j s VAL 134 CO 0.21 0.41 0.06 -0.75 0.00 0.00 0.00 175.10 175.03 1f4j s LYS 135 N 1.12 3.50 -0.35 2.72 2.20 0.70 -0.47 119.74 129.16 1f4j s LYS 135 Ca -0.05 -0.57 -0.13 0.00 -0.36 0.00 0.00 55.97 54.86 1f4j s LYS 135 Cb -0.14 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1f4j s LYS 135 CO -0.03 -0.24 0.24 -0.06 -0.36 0.00 0.00 175.35 174.90 1f4j s PHE 136 N 1.57 3.23 -1.22 4.03 0.40 0.41 -1.41 117.98 124.99 1f4j s PHE 136 Ca 0.06 -0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 1f4j s PHE 136 Cb -0.15 -2.49 0.09 0.00 0.51 0.00 0.00 43.02 40.98 1f4j s PHE 136 CO 0.02 -0.40 1.60 0.71 0.70 0.00 0.00 175.22 177.86 1f4j s TYR 137 N 1.71 2.93 0.52 0.36 1.51 -0.68 -0.98 117.35 122.73 1f4j s TYR 137 Ca 0.06 -1.63 -0.03 0.00 -1.01 0.00 0.00 57.07 54.46 1f4j s TYR 137 Cb -0.18 -4.63 0.00 0.00 -0.11 0.00 0.00 41.96 37.05 1f4j s TYR 137 CO 0.10 -1.72 0.79 0.95 -1.11 0.00 0.00 175.55 174.56 1f4j s THR 138 N 3.66 3.76 -0.06 -0.71 -4.23 -1.08 -4.53 115.64 112.45 1f4j s THR 138 Ca 0.49 -0.26 0.31 0.00 -1.18 0.00 0.00 61.69 61.05 1f4j s THR 138 Cb 0.02 -3.44 0.34 0.00 1.34 0.00 0.00 72.50 70.75 1f4j s THR 138 CO 0.03 -0.38 1.91 -0.33 -0.54 0.00 0.00 174.62 175.31 1f4j h GLU 139 N 0.10 0.00 -0.87 3.99 3.07 -1.95 -1.02 114.58 117.90 1f4j h GLU 139 Ca -0.46 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.11 1f4j h GLU 139 Cb 1.26 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.99 1f4j h GLU 139 CO 0.59 0.00 0.38 -0.25 -1.40 0.00 0.00 179.01 178.32 1f4j n ASP 140 N -2.77 4.23 0.00 1.42 8.00 -1.26 -4.54 116.55 121.63 1f4j n ASP 140 Ca 0.01 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1f4j n ASP 140 Cb 0.25 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 -0.42 -0.14 3.77 0.44 0.00 -0.39 -4.65 105.19 103.80 1f4j n GLY 141 Ca 0.43 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.82 6.73 -0.19 1.61 0.01 -1.26 -2.63 114.94 117.39 1f4j s ASN 142 Ca 0.00 2.39 0.01 0.00 -0.71 0.00 0.00 52.86 54.55 1f4j s ASN 142 Cb 0.00 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.06 1f4j s ASN 142 CO 0.00 -0.53 -0.18 0.86 -1.51 0.00 0.00 177.10 175.74 1f4j s TRP 143 N -1.32 2.83 -0.33 2.20 -0.00 -0.15 -4.19 118.94 117.99 1f4j s TRP 143 Ca 0.53 -1.64 -0.09 0.00 -0.00 0.00 0.00 56.10 54.89 1f4j s TRP 143 Cb -0.32 -1.94 0.01 0.00 -0.00 0.00 0.00 33.47 31.22 1f4j s TRP 143 CO 0.42 -0.79 0.15 -0.51 -0.00 0.00 0.00 176.95 176.22 1f4j s ASP 144 N 1.29 5.52 -0.68 5.86 -0.00 0.32 -0.45 116.67 128.54 1f4j s ASP 144 Ca 0.04 -0.75 -0.10 0.00 -0.00 0.00 0.00 52.55 51.74 1f4j s ASP 144 Cb -0.14 -1.98 0.18 0.00 -0.00 0.00 0.00 42.92 40.98 1f4j s ASP 144 CO -0.12 -0.27 0.58 -0.22 -0.00 0.00 0.00 175.17 175.15 1f4j s LEU 145 N 1.56 6.12 -1.06 1.23 2.96 0.38 -4.52 118.68 125.35 1f4j s LEU 145 Ca 0.03 -2.50 -0.17 0.00 -0.22 0.00 0.00 54.13 51.26 1f4j s LEU 145 Cb -0.18 -2.08 0.14 0.00 0.50 0.00 0.00 46.19 44.56 1f4j s LEU 145 CO 0.05 -0.57 1.30 -0.69 -1.32 0.00 0.00 176.35 175.12 1f4j s VAL 146 N 0.47 4.74 0.00 1.68 1.01 -1.26 -1.14 120.40 125.89 1f4j s VAL 146 Ca 0.14 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1f4j s VAL 146 Cb -0.18 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1f4j s VAL 146 CO -0.05 -1.61 0.00 0.61 0.00 0.00 0.00 175.10 174.05 1f4j n GLY 147 N 5.11 4.35 3.52 4.51 0.00 -1.15 -4.93 105.19 116.60 1f4j n GLY 147 Ca 0.31 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1f4j n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4j s ASN 148 N -0.79 0.77 0.00 1.61 2.20 -0.84 0.53 114.94 118.42 1f4j s ASN 148 Ca 0.00 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 1f4j s ASN 148 Cb 0.00 0.67 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1f4j s ASN 148 CO 0.00 -1.32 0.23 -0.46 -2.94 0.00 0.00 177.10 172.61 1f4j n ASN 149 N -1.34 0.00 -4.02 3.54 6.94 -0.47 -0.84 115.26 119.07 1f4j n ASN 149 Ca -0.00 -0.45 -0.15 0.00 -0.02 0.00 0.00 54.58 53.96 1f4j n ASN 149 Cb 0.61 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.91 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 -2.00 0.52 -0.63 5.53 -1.32 -1.26 -4.75 115.64 111.73 1f4j s THR 150 Ca 0.00 -0.70 0.25 0.00 -1.21 0.00 0.00 61.69 60.04 1f4j s THR 150 Cb 0.00 -0.52 0.30 0.00 -1.51 0.00 0.00 72.50 70.77 1f4j s THR 150 CO 0.00 -0.14 1.74 1.55 -2.21 0.00 0.00 174.62 175.56 1f4j h PRO 151 N 5.20 0.00 -5.08 7.08 0.13 -1.93 -3.41 132.00 133.99 1f4j h PRO 151 Ca -0.32 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.18 1f4j h PRO 151 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1f4j h PRO 151 CO 0.45 0.00 -0.50 0.96 -0.23 0.00 0.00 178.00 178.68 1f4j s ILE 152 N -3.15 0.77 0.25 -3.56 -4.36 -1.26 -4.34 121.20 105.54 1f4j s ILE 152 Ca 0.09 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1f4j s ILE 152 Cb 0.10 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1f4j s ILE 152 CO 0.60 0.00 0.21 0.12 0.24 0.00 0.00 174.94 176.11 1f4j s PHE 153 N -3.05 1.31 0.19 1.37 5.36 -1.01 -4.95 117.98 117.20 1f4j s PHE 153 Ca 0.13 -1.44 0.12 0.00 -0.96 0.00 0.00 56.93 54.78 1f4j s PHE 153 Cb 0.01 -0.56 0.30 0.00 -0.34 0.00 0.00 43.02 42.43 1f4j s PHE 153 CO 0.09 -0.75 1.56 0.74 -1.46 0.00 0.00 175.22 175.40 1f4j h PHE 154 N 2.43 0.00 -3.62 10.12 0.04 -1.89 -3.39 116.94 120.63 1f4j h PHE 154 Ca -0.32 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.15 1f4j h PHE 154 Cb 1.24 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.25 1f4j h PHE 154 CO 0.83 0.63 -0.68 0.96 -0.60 0.00 0.00 178.31 179.45 1f4j s ILE 155 N -3.39 0.84 -0.04 -0.55 -4.36 -1.26 -2.74 121.20 109.70 1f4j s ILE 155 Ca -0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 1f4j s ILE 155 Cb 0.11 -2.04 0.10 0.00 1.25 0.00 0.00 42.46 41.88 1f4j s ILE 155 CO 0.76 -0.56 1.00 -2.11 0.24 0.00 0.00 174.94 174.26 1f4j n ARG 156 N -0.24 1.83 -3.74 0.37 1.85 -1.26 -4.63 116.66 110.85 1f4j n ARG 156 Ca -0.08 -1.72 -0.24 0.00 -1.00 0.00 0.00 57.85 54.82 1f4j n ARG 156 Cb 0.62 -1.07 -0.17 0.00 -1.05 0.00 0.00 32.46 30.79 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 -1.53 1.86 0.63 2.89 -1.08 -1.26 -4.13 116.67 114.05 1f4j s ASP 157 Ca 0.11 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.14 1f4j s ASP 157 Cb 0.10 -0.43 1.31 0.00 -1.46 0.00 0.00 42.92 42.44 1f4j s ASP 157 CO 0.01 -0.23 1.74 1.55 0.52 0.00 0.00 175.17 178.76 1f4j h PRO 158 N 8.33 0.00 0.00 4.34 0.13 -1.87 -1.55 132.00 141.38 1f4j h PRO 158 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 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 0.27 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.55 1f4j n ILE 159 N -3.21 0.70 0.79 -3.56 3.06 -1.26 -2.28 119.36 113.59 1f4j n ILE 159 Ca 0.05 0.09 0.11 0.00 -2.50 0.00 0.00 62.75 60.51 1f4j n ILE 159 Cb 0.68 -0.90 0.06 0.00 0.54 0.00 0.00 39.64 40.03 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 -1.93 0.66 0.15 9.51 7.99 -0.58 -4.55 117.00 128.25 1f4j n LEU 160 Ca 0.04 -0.11 -0.14 0.00 -0.01 0.00 0.00 56.01 55.79 1f4j n LEU 160 Cb 0.27 -0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.39 1f4j n LEU 160 CO 0.21 0.11 0.68 0.15 -1.51 0.00 0.00 177.39 177.03 1f4j h PHE 161 N 0.00 -0.75 -0.86 -1.77 3.04 -1.59 -0.39 116.94 114.62 1f4j h PHE 161 Ca 0.00 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.07 1f4j h PHE 161 Cb 0.61 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 39.36 1f4j h PHE 161 CO 0.00 -0.40 0.55 -1.35 -2.02 0.00 0.00 178.31 175.10 1f4j h PRO 162 N -0.55 0.75 -0.30 6.41 0.11 -1.80 0.18 132.00 136.80 1f4j h PRO 162 Ca 0.01 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 1f4j h PRO 162 Cb 0.54 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1f4j h PRO 162 CO -0.10 0.49 -0.25 0.77 -0.21 0.00 0.00 178.00 178.70 1f4j h SER 163 N 0.77 0.74 -0.67 -2.05 0.02 -1.76 0.20 113.55 110.80 1f4j h SER 163 Ca 0.41 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1f4j h SER 163 Cb 0.52 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1f4j h SER 163 CO -0.17 1.04 0.41 0.15 -1.14 0.00 0.00 176.83 177.11 1f4j h PHE 164 N 0.44 0.88 -0.49 3.45 3.57 0.32 0.15 116.94 125.26 1f4j h PHE 164 Ca 0.05 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1f4j h PHE 164 Cb 0.82 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1f4j h PHE 164 CO 0.07 0.59 -0.08 0.82 -2.23 0.00 0.00 178.31 177.48 1f4j h ILE 165 N 0.91 1.27 0.31 1.41 1.08 -0.62 -2.02 117.51 119.84 1f4j h ILE 165 Ca 0.24 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1f4j h ILE 165 Cb -0.04 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1f4j h ILE 165 CO -0.05 0.42 -0.25 0.45 -0.69 0.00 0.00 178.15 178.03 1f4j h HIS 166 N 0.78 -0.66 0.00 1.37 3.86 -0.35 -0.17 115.15 119.97 1f4j h HIS 166 Ca 0.13 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1f4j h HIS 166 Cb 0.63 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.35 1f4j h HIS 166 CO 0.05 -0.37 0.11 -1.13 0.86 0.00 0.00 177.93 177.44 1f4j n SER 167 N -5.38 0.48 0.03 2.45 3.41 0.47 -0.47 113.62 114.61 1f4j n SER 167 Ca -0.09 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1f4j n SER 167 Cb 0.28 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1f4j n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4j n GLN 168 N -2.19 0.34 -0.15 4.33 1.13 -0.16 -2.84 117.38 117.84 1f4j n GLN 168 Ca -0.01 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1f4j n GLN 168 Cb 0.14 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1f4j n GLN 168 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1f4j n LYS 169 N -2.03 3.03 -2.14 -1.09 5.02 0.38 -4.92 118.16 116.42 1f4j n LYS 169 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1f4j n LYS 169 Cb 0.45 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.48 1f4j n LYS 169 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f4j s ARG 170 N 1.91 3.29 0.20 1.97 0.52 -1.26 -4.23 118.95 121.35 1f4j s ARG 170 Ca 0.00 1.77 -0.32 0.00 -0.52 0.00 0.00 55.73 56.66 1f4j s ARG 170 Cb 0.00 -2.08 -0.11 0.00 0.52 0.00 0.00 34.95 33.27 1f4j s ARG 170 CO 0.00 -0.93 1.65 1.21 0.02 0.00 0.00 175.30 177.25 1f4j s ASN 171 N -1.56 6.45 0.64 0.23 3.84 0.69 -4.78 114.94 120.46 1f4j s ASN 171 Ca 0.72 2.79 0.31 0.00 0.21 0.00 0.00 52.86 56.90 1f4j s ASN 171 Cb -0.28 -2.60 1.71 0.00 -0.55 0.00 0.00 41.25 39.52 1f4j s ASN 171 CO 0.32 -0.91 2.00 1.55 -2.79 0.00 0.00 177.10 177.27 1f4j h PRO 172 N 6.59 0.00 0.00 0.43 0.13 -1.93 0.14 132.00 137.35 1f4j h PRO 172 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1f4j h PRO 172 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1f4j h PRO 172 CO 0.93 0.00 -1.91 0.94 -0.23 0.00 0.00 178.00 177.73 1f4j n GLN 173 N -3.20 0.48 0.19 0.86 7.27 -1.26 -4.65 117.38 117.07 1f4j n GLN 173 Ca 0.00 0.21 0.09 0.00 0.07 0.00 0.00 57.00 57.37 1f4j n GLN 173 Cb 0.38 -1.32 0.12 0.00 2.41 0.00 0.00 30.24 31.83 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 0.23 -3.45 1.69 1.35 -1.96 -3.47 112.91 106.45 1f4j h THR 174 Ca -0.43 -1.33 -0.24 0.00 -0.55 0.00 0.00 66.41 63.86 1f4j h THR 174 Cb 1.33 2.08 0.06 0.00 -1.73 0.00 0.00 68.15 69.90 1f4j h THR 174 CO -0.26 0.13 -0.39 1.57 -0.25 0.00 0.00 175.52 176.32 1f4j n HIS 175 N -3.10 -1.49 -4.32 4.73 -0.00 0.49 -4.95 115.22 106.58 1f4j n HIS 175 Ca 0.03 0.48 -0.24 0.00 0.46 0.00 0.00 57.72 58.45 1f4j n HIS 175 Cb 0.59 -3.30 -0.12 0.00 -0.12 0.00 0.00 29.99 27.04 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 -4.55 2.36 0.20 0.27 1.43 -1.26 -4.71 118.68 112.43 1f4j s LEU 176 Ca 0.28 -0.76 -0.32 0.00 -1.03 0.00 0.00 54.13 52.29 1f4j s LEU 176 Cb -0.12 -0.91 -0.12 0.00 0.03 0.00 0.00 46.19 45.06 1f4j s LEU 176 CO 0.34 0.04 1.68 0.29 0.23 0.00 0.00 176.35 178.94 1f4j n LYS 177 N 0.76 2.62 -3.95 1.70 4.76 -1.26 -0.22 118.16 122.56 1f4j n LYS 177 Ca -0.17 0.94 -0.31 0.00 -2.87 0.00 0.00 58.31 55.91 1f4j n LYS 177 Cb 0.55 -2.77 -0.15 0.00 -1.84 0.00 0.00 35.03 30.82 1f4j n LYS 177 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1f4j s ASP 178 N 1.07 4.12 0.54 4.39 3.68 -1.26 -4.87 116.67 124.34 1f4j s ASP 178 Ca 0.76 -1.43 0.24 0.00 2.13 0.00 0.00 52.55 54.24 1f4j s ASP 178 Cb -0.55 -1.28 1.42 0.00 -1.45 0.00 0.00 42.92 41.07 1f4j s ASP 178 CO 0.34 -0.27 2.06 -0.65 0.13 0.00 0.00 175.17 176.78 1f4j h PRO 179 N 7.88 0.00 -0.30 4.34 0.11 -1.92 -1.47 132.00 140.65 1f4j h PRO 179 Ca -0.15 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 1f4j h PRO 179 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1f4j h PRO 179 CO 0.44 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.46 1f4j h ASP 180 N 0.00 0.81 -0.66 -2.05 3.32 -1.95 -1.81 116.42 114.08 1f4j h ASP 180 Ca 0.14 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1f4j h ASP 180 Cb 0.61 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1f4j h ASP 180 CO -0.00 1.13 0.23 0.24 -1.72 0.00 0.00 179.24 179.11 1f4j h MET 181 N 0.50 1.01 0.20 3.56 2.86 -1.57 0.85 114.93 122.33 1f4j h MET 181 Ca 0.04 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1f4j h MET 181 Cb 0.92 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1f4j h MET 181 CO 0.08 0.87 -0.09 0.28 1.06 0.00 0.00 176.91 179.10 1f4j h VAL 182 N 0.94 0.84 0.00 -2.22 2.07 -1.24 -3.09 116.25 113.55 1f4j h VAL 182 Ca 0.21 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1f4j h VAL 182 Cb 0.26 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1f4j h VAL 182 CO -0.01 0.03 -0.72 -0.50 0.02 0.00 0.00 177.57 176.39 1f4j h TRP 183 N -0.33 0.00 -0.45 1.57 4.06 -1.20 -2.87 115.95 116.74 1f4j h TRP 183 Ca -0.03 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.81 1f4j h TRP 183 Cb 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1f4j h TRP 183 CO -0.04 0.15 -0.19 0.22 -3.56 0.00 0.00 178.44 175.01 1f4j h ASP 184 N 0.00 0.89 0.00 -3.49 3.58 0.65 -1.53 116.42 116.52 1f4j h ASP 184 Ca -0.03 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1f4j h ASP 184 Cb 1.13 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1f4j h ASP 184 CO 0.01 1.05 -0.00 0.15 -2.88 0.00 0.00 179.24 177.58 1f4j h PHE 185 N 0.77 -0.00 0.00 0.28 3.57 -1.59 -2.33 116.94 117.63 1f4j h PHE 185 Ca 0.11 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1f4j h PHE 185 Cb 0.72 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1f4j h PHE 185 CO 0.04 0.44 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.89 1f4j h TRP 186 N -0.45 0.00 0.07 0.41 6.55 -1.52 -1.23 115.95 119.78 1f4j h TRP 186 Ca -0.00 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.59 1f4j h TRP 186 Cb 0.45 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.74 1f4j h TRP 186 CO 0.08 0.18 -1.14 0.66 -1.05 0.00 0.00 178.44 177.17 1f4j h SER 187 N 0.00 0.23 1.56 -3.49 4.64 -1.27 -3.13 113.55 112.10 1f4j h SER 187 Ca -0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1f4j h SER 187 Cb 0.37 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1f4j h SER 187 CO 0.02 1.20 0.00 -0.07 -0.87 0.00 0.00 176.83 177.11 1f4j h LEU 188 N 0.04 0.00 -6.74 5.97 3.38 -1.11 -3.37 115.31 113.49 1f4j h LEU 188 Ca -0.08 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.28 1f4j h LEU 188 Cb 1.88 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.23 1f4j h LEU 188 CO 0.17 0.00 -0.76 -0.13 0.09 0.00 0.00 178.44 177.81 1f4j s ARG 189 N -3.12 1.72 0.18 1.13 1.81 -0.49 -4.96 118.95 115.22 1f4j s ARG 189 Ca 0.10 -2.76 0.15 0.00 -1.72 0.00 0.00 55.73 51.50 1f4j s ARG 189 Cb 0.11 -2.47 0.74 0.00 -0.45 0.00 0.00 34.95 32.88 1f4j s ARG 189 CO 0.61 -1.34 1.46 -0.35 -0.68 0.00 0.00 175.30 175.00 1f4j n PRO 190 N 2.38 0.09 0.12 3.54 -0.04 -1.22 -2.08 135.00 137.80 1f4j n PRO 190 Ca 0.25 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.30 1f4j n PRO 190 Cb 0.41 -1.75 0.45 0.00 -0.04 0.00 0.00 33.50 32.57 1f4j n PRO 190 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1f4j n GLU 191 N -1.94 0.11 0.13 0.54 0.00 -1.26 -0.58 120.64 117.64 1f4j n GLU 191 Ca 0.00 0.59 0.13 0.00 0.00 0.00 0.00 57.16 57.88 1f4j n GLU 191 Cb 0.08 -1.85 0.44 0.00 0.00 0.00 0.00 31.44 30.12 1f4j n GLU 191 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1f4j h SER 192 N 0.00 0.00 -0.71 -1.84 4.64 -1.22 -3.37 113.55 111.05 1f4j h SER 192 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1f4j h SER 192 Cb 0.03 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.99 1f4j h SER 192 CO 0.00 0.00 -0.32 -0.07 -0.87 0.00 0.00 176.83 175.57 1f4j h LEU 193 N 0.00 -1.12 0.18 5.97 3.38 -1.09 -1.61 115.31 121.02 1f4j h LEU 193 Ca 0.00 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1f4j h LEU 193 Cb 0.59 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1f4j h LEU 193 CO 0.00 -0.29 -0.34 -0.74 0.09 0.00 0.00 178.44 177.16 1f4j h HIS 194 N -0.10 -0.98 0.00 1.13 2.76 -1.80 0.53 115.15 116.69 1f4j h HIS 194 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1f4j h HIS 194 Cb 0.56 0.40 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 1f4j h HIS 194 CO -0.68 -0.42 -0.07 0.37 -1.30 0.00 0.00 177.93 175.83 1f4j h GLN 195 N -0.57 0.00 -0.12 5.26 5.75 -1.73 -1.38 115.11 122.33 1f4j h GLN 195 Ca -0.02 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.29 1f4j h GLN 195 Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1f4j h GLN 195 CO -0.13 0.07 -0.71 0.28 -2.65 0.00 0.00 178.83 175.69 1f4j h VAL 196 N 0.00 1.34 -0.45 2.39 2.07 -0.75 0.82 116.25 121.66 1f4j h VAL 196 Ca -0.00 -2.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.39 1f4j h VAL 196 Cb 0.18 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1f4j h VAL 196 CO 0.01 0.62 -0.15 0.28 0.02 0.00 0.00 177.57 178.36 1f4j h SER 197 N 0.39 0.85 -0.18 0.57 0.02 0.15 -1.82 113.55 113.53 1f4j h SER 197 Ca -0.03 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 1f4j h SER 197 Cb 1.29 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1f4j h SER 197 CO 0.13 1.00 -0.14 0.15 -1.14 0.00 0.00 176.83 176.83 1f4j h PHE 198 N 0.76 0.48 -0.83 3.45 3.04 -1.21 -3.05 116.94 119.58 1f4j h PHE 198 Ca 0.12 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1f4j h PHE 198 Cb 0.66 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 1f4j h PHE 198 CO 0.04 0.76 0.52 1.25 -2.02 0.00 0.00 178.31 178.86 1f4j h LEU 199 N 0.07 0.98 -1.08 0.59 5.85 -0.70 -2.30 115.31 118.72 1f4j h LEU 199 Ca 0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1f4j h LEU 199 Cb 0.66 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1f4j h LEU 199 CO 0.04 0.74 0.00 0.49 -0.34 0.00 0.00 178.44 179.36 1f4j n PHE 200 N -4.39 0.33 -2.65 1.25 3.01 -0.70 -3.83 117.46 110.49 1f4j n PHE 200 Ca 0.09 -0.16 -0.23 0.00 1.01 0.00 0.00 57.45 58.16 1f4j n PHE 200 Cb 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.62 1f4j n PHE 200 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1f4j s SER 201 N -1.23 4.44 0.28 4.37 1.04 -0.86 -4.50 113.70 117.24 1f4j s SER 201 Ca 0.25 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.26 1f4j s SER 201 Cb 0.13 0.04 0.66 0.00 0.10 0.00 0.00 66.02 66.95 1f4j s SER 201 CO 0.19 -1.79 1.70 0.44 0.98 0.00 0.00 173.24 174.75 1f4j h ASP 202 N -0.43 0.26 0.00 7.02 3.32 -1.89 0.36 116.42 125.05 1f4j h ASP 202 Ca -0.35 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1f4j h ASP 202 Cb 1.27 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1f4j h ASP 202 CO 0.40 -0.00 0.01 0.54 -1.72 0.00 0.00 179.24 178.47 1f4j n ARG 203 N -5.07 0.00 0.27 3.56 5.12 -1.26 -2.44 116.66 116.83 1f4j n ARG 203 Ca 0.20 0.17 0.15 0.00 -1.93 0.00 0.00 57.85 56.44 1f4j n ARG 203 Cb 0.60 -1.51 0.67 0.00 -1.16 0.00 0.00 32.46 31.06 1f4j n ARG 203 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1f4j h GLY 204 N 0.00 0.00 -6.12 -0.13 0.00 -0.37 -3.35 103.07 93.09 1f4j h GLY 204 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1f4j h GLY 204 CO 0.00 0.00 -1.02 1.39 0.00 0.00 0.00 176.54 176.91 1f4j n ILE 205 N -3.25 -0.92 -1.69 2.60 5.41 -1.02 -3.13 119.36 117.36 1f4j n ILE 205 Ca -0.00 -3.62 -0.41 0.00 1.00 0.00 0.00 62.75 59.72 1f4j n ILE 205 Cb 0.31 -1.68 0.01 0.00 -0.71 0.00 0.00 39.64 37.58 1f4j n ILE 205 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1f4j n PRO 206 N 2.11 1.78 -1.81 0.38 -0.04 -1.26 -0.27 135.00 135.89 1f4j n PRO 206 Ca 0.25 0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 63.93 1f4j n PRO 206 Cb 0.51 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 1f4j n PRO 206 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f4j n ASP 207 N 0.15 3.72 0.00 3.54 4.64 0.87 -4.58 116.55 124.90 1f4j n ASP 207 Ca 0.08 -2.81 0.00 0.00 -1.38 0.00 0.00 54.79 50.68 1f4j n ASP 207 Cb 0.40 -1.56 0.00 0.00 -1.04 0.00 0.00 41.12 38.92 1f4j n ASP 207 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1f4j n GLY 208 N 4.62 -0.37 0.19 0.27 0.00 -1.26 -4.40 105.19 104.23 1f4j n GLY 208 Ca 0.50 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 0.36 0.00 1.61 3.86 -1.86 -3.24 115.15 115.87 1f4j h HIS 209 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1f4j h HIS 209 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1f4j h HIS 209 CO 0.00 0.71 0.00 0.00 0.86 0.00 0.00 177.93 179.50 1f4j h ARG 210 N 0.24 0.00 -0.76 2.45 3.08 -1.95 -3.21 114.38 114.23 1f4j h ARG 210 Ca 0.02 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.58 1f4j h ARG 210 Cb 0.91 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.68 1f4j h ARG 210 CO 0.07 0.00 0.18 0.72 -1.07 0.00 0.00 179.97 179.87 1f4j n HIS 211 N -2.71 2.49 -4.15 3.04 8.25 -1.22 -4.43 115.22 116.49 1f4j n HIS 211 Ca 0.01 -2.26 -0.10 0.00 -0.26 0.00 0.00 57.72 55.10 1f4j n HIS 211 Cb 0.25 -0.85 -0.10 0.00 1.12 0.00 0.00 29.99 30.41 1f4j n HIS 211 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f4j s MET 212 N -3.53 0.77 0.52 -0.41 0.23 -1.21 -1.31 119.30 114.35 1f4j s MET 212 Ca 0.55 -1.26 -0.02 0.00 -1.03 0.00 0.00 55.69 53.93 1f4j s MET 212 Cb 0.45 -0.15 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1f4j s MET 212 CO 0.02 -0.02 0.77 -0.80 -2.03 0.00 0.00 175.02 172.96 1f4j s ASN 213 N -2.89 5.61 0.01 -1.18 0.01 -1.26 -4.14 114.94 111.09 1f4j s ASN 213 Ca 0.09 0.36 0.08 0.00 -0.71 0.00 0.00 52.86 52.68 1f4j s ASN 213 Cb 0.04 -1.44 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 1f4j s ASN 213 CO -0.05 -0.93 -0.23 -0.83 -1.51 0.00 0.00 177.10 173.54 1f4j s GLY 214 N -4.30 1.19 0.05 0.66 0.00 0.01 -3.97 107.32 100.96 1f4j s GLY 214 Ca 0.52 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 44.20 1f4j s GLY 214 CO 0.40 -0.93 -0.09 -0.19 0.00 0.00 0.00 173.10 172.30 1f4j s TYR 215 N -0.64 0.79 -0.57 1.90 2.02 -0.02 -0.79 117.35 120.03 1f4j s TYR 215 Ca 0.09 -0.48 0.24 0.00 -0.37 0.00 0.00 57.07 56.56 1f4j s TYR 215 Cb -0.09 -0.46 0.51 0.00 -0.40 0.00 0.00 41.96 41.51 1f4j s TYR 215 CO 0.00 -0.05 1.60 0.78 -1.57 0.00 0.00 175.55 176.31 1f4j h GLY 216 N 4.51 0.00 0.00 0.71 0.00 -1.63 -2.24 103.07 104.41 1f4j h GLY 216 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1f4j h GLY 216 CO 0.41 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.39 1f4j n SER 217 N -2.60 0.00 -4.70 0.19 7.64 -1.26 -4.79 113.62 108.09 1f4j n SER 217 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 1f4j n SER 217 Cb 0.48 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.82 -0.02 1.43 3.76 -1.26 -4.81 115.29 116.21 1f4j s HIS 218 Ca 0.00 1.71 -0.20 0.00 -0.15 0.00 0.00 55.06 56.42 1f4j s HIS 218 Cb 0.00 -3.39 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 1f4j s HIS 218 CO 0.00 -2.71 0.56 0.99 -0.85 0.00 0.00 174.74 172.73 1f4j s THR 219 N -2.40 4.97 0.51 1.30 2.01 -1.26 -4.58 115.64 116.20 1f4j s THR 219 Ca 0.70 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.86 1f4j s THR 219 Cb -0.25 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1f4j s THR 219 CO 0.53 0.41 0.01 0.49 -0.69 0.00 0.00 174.62 175.37 1f4j n PHE 220 N 2.82 1.16 -4.93 4.92 3.01 0.32 -3.91 117.46 120.85 1f4j n PHE 220 Ca -0.07 -2.56 -0.27 0.00 1.01 0.00 0.00 57.45 55.55 1f4j n PHE 220 Cb 0.51 -0.33 -0.16 0.00 -0.01 0.00 0.00 39.48 39.49 1f4j n PHE 220 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1f4j s LYS 221 N -3.86 1.94 -0.04 -1.08 2.20 -0.41 -0.30 119.74 118.19 1f4j s LYS 221 Ca 0.01 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1f4j s LYS 221 Cb 0.00 -1.68 -0.03 0.00 -1.51 0.00 0.00 37.83 34.61 1f4j s LYS 221 CO 0.01 0.28 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.65 1f4j s LEU 222 N -0.02 2.90 -0.09 5.43 1.43 -0.16 -0.84 118.68 127.35 1f4j s LEU 222 Ca -0.03 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1f4j s LEU 222 Cb -0.12 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1f4j s LEU 222 CO 0.02 0.33 -0.14 -0.69 0.23 0.00 0.00 176.35 176.11 1f4j s VAL 223 N -0.81 1.33 0.71 -1.59 1.01 -0.61 -1.83 120.40 118.60 1f4j s VAL 223 Ca 0.13 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1f4j s VAL 223 Cb -0.11 -1.22 0.11 0.00 0.00 0.00 0.00 36.38 35.17 1f4j s VAL 223 CO 0.02 0.40 0.98 0.54 0.00 0.00 0.00 175.10 177.04 1f4j s ASN 224 N 0.83 4.46 0.62 3.32 2.20 -0.53 -0.71 114.94 125.13 1f4j s ASN 224 Ca -0.11 -0.23 0.38 0.00 -0.94 0.00 0.00 52.86 51.97 1f4j s ASN 224 Cb -0.15 -0.23 2.09 0.00 -2.00 0.00 0.00 41.25 40.96 1f4j s ASN 224 CO 0.01 -1.78 2.17 0.00 -2.94 0.00 0.00 177.10 174.57 1f4j h ALA 225 N -0.49 1.07 0.00 3.54 0.00 -1.88 -0.70 119.26 120.80 1f4j h ALA 225 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1f4j h ALA 225 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1f4j h ALA 225 CO 0.43 -0.07 -0.42 0.09 0.00 0.00 0.00 179.25 179.28 1f4j n ASN 226 N -2.92 0.43 0.00 0.00 5.03 -1.26 -4.93 115.26 111.61 1f4j n ASN 226 Ca -0.03 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1f4j n ASN 226 Cb 0.14 0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 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 1.49 0.62 3.77 7.41 0.00 -0.27 -5.06 105.19 113.15 1f4j n GLY 227 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.78 4.58 0.16 1.61 2.02 -1.26 -4.83 118.70 120.21 1f4j s GLU 228 Ca 0.00 1.50 0.09 0.00 0.02 0.00 0.00 54.97 56.57 1f4j s GLU 228 Cb 0.00 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1f4j s GLU 228 CO 0.00 0.25 -0.19 0.00 0.02 0.00 0.00 175.26 175.33 1f4j s ALA 229 N -1.43 2.03 0.10 5.21 0.00 -1.26 -1.46 121.76 124.96 1f4j s ALA 229 Ca 0.48 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1f4j s ALA 229 Cb -0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1f4j s ALA 229 CO 0.30 0.28 0.08 0.14 0.00 0.00 0.00 175.76 176.55 1f4j s VAL 230 N -1.85 0.14 0.15 0.00 -7.23 -0.76 -4.62 120.40 106.23 1f4j s VAL 230 Ca 0.15 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1f4j s VAL 230 Cb -0.07 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1f4j s VAL 230 CO 0.07 -0.63 0.28 -0.31 -0.31 0.00 0.00 175.10 174.19 1f4j s TYR 231 N -3.97 3.48 0.24 2.82 2.02 -0.14 -0.98 117.35 120.81 1f4j s TYR 231 Ca 0.15 0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.85 1f4j s TYR 231 Cb 0.07 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1f4j s TYR 231 CO -0.04 0.52 0.43 0.00 -1.57 0.00 0.00 175.55 174.89 1f4j s LYS 233 N -4.03 1.24 -0.07 0.00 -0.14 -0.87 -0.52 119.74 115.35 1f4j s LYS 233 Ca 0.24 -0.44 -0.05 0.00 -1.36 0.00 0.00 55.97 54.36 1f4j s LYS 233 Cb 0.00 -1.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.98 1f4j s LYS 233 CO 0.09 0.20 0.17 -0.06 -0.76 0.00 0.00 175.35 174.99 1f4j s PHE 234 N 0.02 3.58 -0.04 3.18 0.08 -1.26 -1.71 117.98 121.83 1f4j s PHE 234 Ca -0.01 0.48 -0.04 0.00 0.12 0.00 0.00 56.93 57.48 1f4j s PHE 234 Cb -0.09 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1f4j s PHE 234 CO 0.01 0.70 0.11 -1.01 -0.10 0.00 0.00 175.22 174.92 1f4j s HIS 235 N -1.16 -0.11 -0.31 0.36 3.76 -0.45 -1.75 115.29 115.63 1f4j s HIS 235 Ca 0.21 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.36 1f4j s HIS 235 Cb -0.12 0.04 0.11 0.00 1.11 0.00 0.00 32.58 33.72 1f4j s HIS 235 CO 0.10 -0.07 0.16 1.52 -0.85 0.00 0.00 174.74 175.61 1f4j s TYR 236 N -0.01 0.51 0.23 1.40 1.13 0.03 0.17 117.35 120.82 1f4j s TYR 236 Ca -0.01 -1.18 -0.30 0.00 -1.41 0.00 0.00 57.07 54.17 1f4j s TYR 236 Cb -0.01 -0.93 -0.09 0.00 -1.10 0.00 0.00 41.96 39.83 1f4j s TYR 236 CO 0.00 -0.83 1.03 0.15 -2.51 0.00 0.00 175.55 173.39 1f4j s LYS 237 N 1.70 4.71 0.09 -3.49 -0.14 -0.51 -0.81 119.74 121.29 1f4j s LYS 237 Ca 0.12 1.65 -0.31 0.00 -1.36 0.00 0.00 55.97 56.07 1f4j s LYS 237 Cb -0.19 -3.25 -0.07 0.00 -1.68 0.00 0.00 37.83 32.64 1f4j s LYS 237 CO -0.23 0.29 1.40 -0.08 -0.76 0.00 0.00 175.35 175.97 1f4j s THR 238 N -0.88 3.40 -0.67 2.17 -1.32 -1.26 -1.09 115.64 115.99 1f4j s THR 238 Ca 0.44 0.96 0.25 0.00 -1.21 0.00 0.00 61.69 62.14 1f4j s THR 238 Cb -0.29 -3.62 0.30 0.00 -1.51 0.00 0.00 72.50 67.39 1f4j s THR 238 CO 0.36 0.05 1.74 0.44 -2.21 0.00 0.00 174.62 175.00 1f4j h ASP 239 N 7.11 0.00 0.01 8.08 3.32 -1.79 -2.92 116.42 130.23 1f4j h ASP 239 Ca -0.41 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1f4j h ASP 239 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1f4j h ASP 239 CO 0.87 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 178.39 1f4j n GLN 240 N -2.44 1.28 -0.03 3.56 3.00 -1.26 -5.02 117.38 116.47 1f4j n GLN 240 Ca 0.05 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1f4j n GLN 240 Cb 0.45 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.20 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 1.09 -2.83 3.72 1.08 0.00 -1.10 -4.90 105.19 102.25 1f4j n GLY 241 Ca 0.21 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.89 3.49 -0.10 -0.61 -1.09 -1.26 -4.45 121.20 113.29 1f4j s ILE 242 Ca 0.00 1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 59.48 1f4j s ILE 242 Cb 0.00 -3.72 0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1f4j s ILE 242 CO 0.00 0.12 0.25 -0.75 -1.23 0.00 0.00 174.94 173.32 1f4j s LYS 243 N 0.65 0.23 0.28 2.79 2.20 -0.43 -5.03 119.74 120.43 1f4j s LYS 243 Ca 0.60 0.48 0.09 0.00 -0.36 0.00 0.00 55.97 56.78 1f4j s LYS 243 Cb -0.34 -0.05 -0.06 0.00 -1.51 0.00 0.00 37.83 35.87 1f4j s LYS 243 CO 0.33 -0.13 -0.12 -0.80 -0.36 0.00 0.00 175.35 174.27 1f4j s ASN 244 N 0.95 3.17 -0.08 1.43 0.01 -1.26 -0.09 114.94 119.07 1f4j s ASN 244 Ca -0.07 -1.12 -0.03 0.00 -0.71 0.00 0.00 52.86 50.94 1f4j s ASN 244 Cb -0.08 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.31 1f4j s ASN 244 CO -0.06 -0.18 0.04 -0.76 -1.51 0.00 0.00 177.10 174.63 1f4j s LEU 245 N -3.48 3.77 0.66 0.60 1.43 0.62 -4.57 118.68 117.72 1f4j s LEU 245 Ca 0.29 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.47 1f4j s LEU 245 Cb 0.00 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1f4j s LEU 245 CO 0.13 0.38 1.07 -0.94 0.23 0.00 0.00 176.35 177.21 1f4j s SER 246 N -0.99 5.42 0.29 2.29 1.04 -1.26 -4.70 113.70 115.78 1f4j s SER 246 Ca 0.14 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1f4j s SER 246 Cb -0.12 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 64.00 1f4j s SER 246 CO 0.04 -1.42 1.88 -0.37 0.98 0.00 0.00 173.24 174.35 1f4j h VAL 247 N -0.27 1.03 0.02 5.02 -1.51 -1.98 0.14 116.25 118.70 1f4j h VAL 247 Ca -0.45 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1f4j h VAL 247 Cb 1.22 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1f4j h VAL 247 CO 0.56 0.19 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.98 1f4j h GLU 248 N 1.06 -0.07 -0.02 5.19 4.81 -1.99 0.70 114.58 124.26 1f4j h GLU 248 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1f4j h GLU 248 Cb 0.28 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1f4j h GLU 248 CO -0.18 -0.05 0.01 -0.44 -0.73 0.00 0.00 179.01 177.62 1f4j h ASP 249 N -0.07 0.01 -0.60 1.04 3.45 -1.73 0.03 116.42 118.56 1f4j h ASP 249 Ca 0.01 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.59 1f4j h ASP 249 Cb 0.08 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.75 1f4j h ASP 249 CO -0.02 0.01 0.03 0.00 -1.57 0.00 0.00 179.24 177.69 1f4j h ALA 250 N 1.01 0.62 0.63 3.45 0.00 -0.44 0.15 119.26 124.68 1f4j h ALA 250 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1f4j h ALA 250 Cb 0.00 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1f4j h ALA 250 CO -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 179.25 178.56 1f4j h ALA 251 N 1.53 -0.85 -0.65 0.00 0.00 -0.42 0.39 119.26 119.26 1f4j h ALA 251 Ca 0.31 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1f4j h ALA 251 Cb 0.49 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1f4j h ALA 251 CO -0.48 -0.94 -0.12 -0.09 0.00 0.00 0.00 179.25 177.62 1f4j h ARG 252 N -0.92 0.03 -0.44 0.00 2.43 -0.25 -1.19 114.38 114.03 1f4j h ARG 252 Ca -0.09 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1f4j h ARG 252 Cb 0.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1f4j h ARG 252 CO 0.14 0.02 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.45 1f4j h LEU 253 N 0.03 0.78 -2.71 3.80 3.38 -0.54 0.15 115.31 120.19 1f4j h LEU 253 Ca 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1f4j h LEU 253 Cb 0.51 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1f4j h LEU 253 CO -0.64 0.90 0.00 0.77 0.09 0.00 0.00 178.44 179.57 1f4j h SER 254 N 0.72 0.00 0.00 -0.43 4.64 0.31 1.12 113.55 119.91 1f4j h SER 254 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1f4j h SER 254 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1f4j h SER 254 CO 0.04 0.00 -0.21 -0.61 -0.87 0.00 0.00 176.83 175.17 1f4j h GLN 255 N 0.00 0.00 -0.98 4.77 -0.00 -0.93 -3.36 115.11 114.61 1f4j h GLN 255 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1f4j h GLN 255 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.43 1f4j h GLN 255 CO -0.00 0.00 0.64 0.93 0.00 0.00 0.00 178.83 180.40 1f4j h GLU 256 N -0.55 1.22 -1.85 1.69 5.08 -0.46 -3.39 114.58 116.32 1f4j h GLU 256 Ca 0.00 -0.07 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1f4j h GLU 256 Cb 0.21 -0.28 -0.30 0.00 0.50 0.00 0.00 28.75 28.89 1f4j h GLU 256 CO 0.00 0.81 -0.64 0.34 -1.00 0.00 0.00 179.01 178.52 1f4j s ASP 257 N -6.01 0.87 0.65 1.42 3.68 0.38 -4.98 116.67 112.67 1f4j s ASP 257 Ca -0.13 -1.29 0.42 0.00 2.13 0.00 0.00 52.55 53.68 1f4j s ASP 257 Cb 0.18 0.75 2.28 0.00 -1.45 0.00 0.00 42.92 44.68 1f4j s ASP 257 CO 0.81 -0.27 2.33 -0.65 0.13 0.00 0.00 175.17 177.52 1f4j h PRO 258 N 7.29 0.00 -0.69 4.34 0.11 -1.71 -2.13 132.00 139.22 1f4j h PRO 258 Ca 0.02 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.68 1f4j h PRO 258 Cb 1.08 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 1f4j h PRO 258 CO 0.21 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.75 1f4j n ASP 259 N -3.14 4.62 0.11 -2.05 8.00 -1.26 -0.70 116.55 122.13 1f4j n ASP 259 Ca -0.03 -3.77 -0.15 0.00 0.71 0.00 0.00 54.79 51.55 1f4j n ASP 259 Cb 0.10 -0.65 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.60 -1.39 -1.03 1.24 5.03 -1.72 -1.66 116.97 119.04 1f4j h TYR 260 Ca 0.40 0.04 0.28 0.00 2.58 0.00 0.00 58.73 62.03 1f4j h TYR 260 Cb 1.50 0.59 -0.06 0.00 1.55 0.00 0.00 36.73 40.31 1f4j h TYR 260 CO 1.14 -0.55 0.72 0.78 -1.32 0.00 0.00 178.16 178.92 1f4j h GLY 261 N -0.70 0.42 0.38 1.82 0.00 -1.87 -1.24 103.07 101.88 1f4j h GLY 261 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1f4j h GLY 261 CO -0.25 -0.04 -0.10 -2.22 0.00 0.00 0.00 176.54 173.93 1f4j h ILE 262 N 0.15 1.54 -0.41 2.60 2.04 -1.69 -3.03 117.51 118.71 1f4j h ILE 262 Ca 0.52 -1.73 0.01 0.00 1.00 0.00 0.00 64.86 64.66 1f4j h ILE 262 Cb 1.79 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 40.51 1f4j h ILE 262 CO -0.10 0.46 0.26 -0.09 0.00 0.00 0.00 178.15 178.68 1f4j h ARG 263 N -0.59 0.51 -0.17 2.37 2.43 -0.66 -1.30 114.38 116.98 1f4j h ARG 263 Ca -0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1f4j h ARG 263 Cb 0.81 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1f4j h ARG 263 CO 0.02 0.33 0.00 0.22 -1.51 0.00 0.00 179.97 179.04 1f4j h ASP 264 N 0.52 -0.06 0.33 -3.80 1.82 -1.36 0.34 116.42 114.22 1f4j h ASP 264 Ca 0.15 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 1f4j h ASP 264 Cb -0.03 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1f4j h ASP 264 CO -0.05 -0.00 -0.16 0.25 -1.61 0.00 0.00 179.24 177.67 1f4j h LEU 265 N 0.06 -0.37 -0.46 2.28 5.85 -1.42 -2.08 115.31 119.16 1f4j h LEU 265 Ca 0.08 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1f4j h LEU 265 Cb 0.09 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1f4j h LEU 265 CO -0.13 -0.17 0.17 0.15 -0.34 0.00 0.00 178.44 178.12 1f4j h PHE 266 N -0.55 0.30 -0.64 1.25 3.04 -1.07 -2.50 116.94 116.76 1f4j h PHE 266 Ca -0.04 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 1f4j h PHE 266 Cb 0.41 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 1f4j h PHE 266 CO -0.03 0.11 0.21 -0.91 -2.02 0.00 0.00 178.31 175.67 1f4j h ASN 267 N 0.35 0.93 0.07 0.41 2.35 -0.24 0.55 115.58 119.99 1f4j h ASN 267 Ca 0.22 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1f4j h ASN 267 Cb 0.21 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1f4j h ASN 267 CO -0.22 0.89 -0.29 0.00 -1.65 0.00 0.00 177.43 176.16 1f4j h ALA 268 N 1.08 -0.45 -0.54 -0.83 0.00 -1.05 -0.61 119.26 116.86 1f4j h ALA 268 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1f4j h ALA 268 Cb 0.29 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1f4j h ALA 268 CO -0.01 -0.81 0.14 0.82 0.00 0.00 0.00 179.25 179.39 1f4j h ILE 269 N -0.47 1.22 -0.23 0.00 2.04 -1.27 0.48 117.51 119.28 1f4j h ILE 269 Ca 0.04 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1f4j h ILE 269 Cb 0.53 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1f4j h ILE 269 CO -0.20 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.29 1f4j h ALA 270 N 1.36 1.66 -0.59 1.87 0.00 -0.07 -1.97 119.26 121.51 1f4j h ALA 270 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f4j h ALA 270 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f4j h ALA 270 CO -0.00 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.76 1f4j n THR 271 N -4.40 0.78 0.00 0.00 -2.24 -0.31 -4.96 114.28 103.15 1f4j n THR 271 Ca 0.00 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1f4j n THR 271 Cb 0.16 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.55 2.39 2.99 3.38 0.00 -0.74 -4.93 105.19 109.83 1f4j n GLY 272 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 1.31 -1.74 1.61 5.02 0.10 -4.89 118.16 117.57 1f4j n LYS 273 Ca 0.00 -1.46 -0.42 0.00 -2.02 0.00 0.00 58.31 54.40 1f4j n LYS 273 Cb 0.00 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.36 1f4j n LYS 273 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1f4j s TYR 274 N 4.79 2.18 0.40 2.13 2.02 -1.26 -4.20 117.35 123.41 1f4j s TYR 274 Ca 0.47 0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 56.99 1f4j s TYR 274 Cb 0.12 -4.16 -0.10 0.00 -0.40 0.00 0.00 41.96 37.41 1f4j s TYR 274 CO 0.09 -4.76 0.90 -1.25 -1.57 0.00 0.00 175.55 168.96 1f4j s PRO 275 N 2.71 4.21 0.21 -1.71 0.04 -1.24 -4.88 135.00 134.33 1f4j s PRO 275 Ca 0.80 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1f4j s PRO 275 Cb -0.45 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1f4j s PRO 275 CO 0.36 0.04 0.10 -1.54 0.04 0.00 0.00 177.00 176.00 1f4j s SER 276 N -2.15 0.61 -0.09 6.66 1.04 -1.26 -1.47 113.70 117.04 1f4j s SER 276 Ca 0.59 -1.35 -0.08 0.00 0.48 0.00 0.00 55.95 55.59 1f4j s SER 276 Cb -0.10 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1f4j s SER 276 CO 0.15 -0.77 0.24 0.26 0.98 0.00 0.00 173.24 174.10 1f4j s TRP 277 N -3.97 -0.28 -0.23 5.02 0.51 0.16 -2.46 118.94 117.70 1f4j s TRP 277 Ca 0.36 0.67 -0.21 0.00 -2.12 0.00 0.00 56.10 54.80 1f4j s TRP 277 Cb 0.07 0.08 -0.02 0.00 -0.81 0.00 0.00 33.47 32.79 1f4j s TRP 277 CO 0.11 -0.15 0.65 0.99 -0.51 0.00 0.00 176.95 178.05 1f4j s THR 278 N 0.34 4.98 -0.23 2.01 2.01 -0.25 -0.01 115.64 124.50 1f4j s THR 278 Ca -0.02 1.21 -0.17 0.00 0.31 0.00 0.00 61.69 63.02 1f4j s THR 278 Cb -0.03 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1f4j s THR 278 CO -0.01 0.06 0.48 0.12 -0.69 0.00 0.00 174.62 174.57 1f4j s PHE 279 N 2.26 3.33 0.35 4.92 2.19 -0.37 -1.42 117.98 129.23 1f4j s PHE 279 Ca 0.28 0.66 0.04 0.00 0.33 0.00 0.00 56.93 58.24 1f4j s PHE 279 Cb -0.16 -2.64 -0.06 0.00 -1.31 0.00 0.00 43.02 38.85 1f4j s PHE 279 CO 0.09 -0.15 0.06 0.71 1.83 0.00 0.00 175.22 177.76 1f4j s TYR 280 N 1.83 2.02 0.02 10.12 1.51 0.13 -0.04 117.35 132.93 1f4j s TYR 280 Ca 0.21 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1f4j s TYR 280 Cb -0.15 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1f4j s TYR 280 CO 0.09 0.05 -0.02 0.96 -1.11 0.00 0.00 175.55 175.52 1f4j s ILE 281 N -3.20 0.09 -0.08 2.71 -4.36 -0.29 -1.34 121.20 114.72 1f4j s ILE 281 Ca 0.34 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1f4j s ILE 281 Cb 0.08 -0.23 -0.03 0.00 1.25 0.00 0.00 42.46 43.53 1f4j s ILE 281 CO 0.15 -0.42 -0.04 -1.10 0.24 0.00 0.00 174.94 173.77 1f4j s GLN 282 N -1.23 2.94 0.02 0.37 -0.21 -0.69 0.23 119.66 121.09 1f4j s GLN 282 Ca -0.13 -0.50 0.06 0.00 0.02 0.00 0.00 55.36 54.81 1f4j s GLN 282 Cb -0.08 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.20 1f4j s GLN 282 CO -0.01 0.62 -0.18 0.08 -2.12 0.00 0.00 175.29 173.69 1f4j s VAL 283 N -0.68 2.79 -0.14 1.09 1.01 -1.26 -2.04 120.40 121.16 1f4j s VAL 283 Ca 0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1f4j s VAL 283 Cb -0.11 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1f4j s VAL 283 CO 0.02 0.40 0.09 -0.32 0.00 0.00 0.00 175.10 175.29 1f4j s MET 284 N -1.24 0.03 0.94 2.72 0.00 -0.25 -4.90 119.30 116.60 1f4j s MET 284 Ca 0.14 0.05 -0.11 0.00 0.00 0.00 0.00 55.69 55.76 1f4j s MET 284 Cb -0.10 -1.48 0.16 0.00 0.00 0.00 0.00 34.83 33.40 1f4j s MET 284 CO 0.04 -0.59 1.09 0.95 0.00 0.00 0.00 175.02 176.51 1f4j s THR 285 N 2.16 2.45 0.40 10.11 -4.23 -1.26 -0.97 115.64 124.30 1f4j s THR 285 Ca 0.03 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 60.80 1f4j s THR 285 Cb -0.15 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.42 1f4j s THR 285 CO -0.08 -0.19 1.91 -0.26 -0.54 0.00 0.00 174.62 175.47 1f4j h PHE 286 N -1.81 0.09 -0.07 3.99 -1.00 -1.96 0.06 116.94 116.24 1f4j h PHE 286 Ca -0.50 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.27 1f4j h PHE 286 Cb 1.28 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.82 1f4j h PHE 286 CO 0.43 0.31 0.03 -0.91 -1.61 0.00 0.00 178.31 176.55 1f4j h ASN 287 N 0.08 0.09 -0.26 2.17 2.35 -1.98 -2.46 115.58 115.57 1f4j h ASN 287 Ca 0.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1f4j h ASN 287 Cb 0.44 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1f4j h ASN 287 CO 0.03 0.24 0.15 1.56 -1.65 0.00 0.00 177.43 177.76 1f4j h GLN 288 N -0.06 0.40 -0.62 0.81 4.20 -1.77 -1.88 115.11 116.20 1f4j h GLN 288 Ca 0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1f4j h GLN 288 Cb 0.18 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1f4j h GLN 288 CO -0.00 0.31 0.41 0.00 -0.67 0.00 0.00 178.83 178.88 1f4j h ALA 289 N 1.76 1.57 -0.12 3.87 0.00 -0.54 -1.23 119.26 124.57 1f4j h ALA 289 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1f4j h ALA 289 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1f4j h ALA 289 CO -0.02 0.39 -0.37 0.93 0.00 0.00 0.00 179.25 180.19 1f4j h GLU 290 N 0.82 0.46 0.00 0.00 5.08 -1.07 -3.20 114.58 116.68 1f4j h GLU 290 Ca 0.23 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1f4j h GLU 290 Cb -0.08 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f4j h GLU 290 CO -0.05 0.96 0.00 1.79 -1.00 0.00 0.00 179.01 180.71 1f4j h THR 291 N 0.05 0.00 -1.97 1.13 1.35 -1.32 -3.46 112.91 108.69 1f4j h THR 291 Ca -0.01 -0.45 -0.65 0.00 -0.55 0.00 0.00 66.41 64.76 1f4j h THR 291 Cb 0.99 1.36 0.07 0.00 -1.73 0.00 0.00 68.15 68.84 1f4j h THR 291 CO 0.08 0.00 0.40 0.33 -0.25 0.00 0.00 175.52 176.08 1f4j n PHE 292 N -2.77 1.52 0.12 4.73 7.35 -0.49 -4.86 117.46 123.07 1f4j n PHE 292 Ca 0.02 0.61 0.14 0.00 -0.76 0.00 0.00 57.45 57.46 1f4j n PHE 292 Cb 0.30 -2.33 0.67 0.00 0.35 0.00 0.00 39.48 38.46 1f4j n PHE 292 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1f4j h PRO 293 N 3.98 0.00 0.00 -7.13 0.11 -1.92 -3.44 132.00 123.61 1f4j h PRO 293 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1f4j h PRO 293 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1f4j h PRO 293 CO 0.74 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.72 1f4j n PHE 294 N -4.45 -0.03 -2.95 0.65 3.72 -1.26 -5.08 117.46 108.06 1f4j n PHE 294 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1f4j n PHE 294 Cb 0.36 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 1f4j n PHE 294 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1f4j s ASN 295 N -0.67 6.51 0.00 4.37 2.47 -1.26 -4.91 114.94 121.46 1f4j s ASN 295 Ca 0.00 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1f4j s ASN 295 Cb 0.00 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1f4j s ASN 295 CO 0.00 -0.81 0.86 -0.81 -3.72 0.00 0.00 177.10 172.62 1f4j n PRO 296 N 6.56 0.00 -0.24 0.43 -0.04 -1.26 -0.90 135.00 139.55 1f4j n PRO 296 Ca 0.03 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1f4j n PRO 296 Cb 0.48 -1.51 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 1f4j n PRO 296 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1f4j n PHE 297 N -1.36 0.49 -2.85 0.54 3.72 -1.26 -4.72 117.46 112.03 1f4j n PHE 297 Ca 0.00 -0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 56.21 1f4j n PHE 297 Cb 0.01 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1f4j n PHE 297 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1f4j s ASP 298 N -1.81 6.84 0.44 4.37 -1.08 -0.08 -4.39 116.67 120.95 1f4j s ASP 298 Ca 0.30 0.99 0.30 0.00 -0.52 0.00 0.00 52.55 53.63 1f4j s ASP 298 Cb 0.23 -2.45 1.44 0.00 -1.46 0.00 0.00 42.92 40.68 1f4j s ASP 298 CO 0.08 -0.60 1.92 0.25 0.52 0.00 0.00 175.17 177.34 1f4j h LEU 299 N 9.37 0.00 -0.91 -1.34 5.85 -1.86 -2.45 115.31 123.97 1f4j h LEU 299 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 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 0.91 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.36 1f4j n THR 300 N -2.66 0.34 -4.13 1.05 -2.24 -1.26 -2.39 114.28 102.99 1f4j n THR 300 Ca -0.00 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1f4j n THR 300 Cb 0.17 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.68 0.69 0.38 -0.78 1.02 -0.92 -4.88 119.74 113.57 1f4j s LYS 301 Ca 0.16 -0.84 0.07 0.00 0.02 0.00 0.00 55.97 55.38 1f4j s LYS 301 Cb 0.08 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1f4j s LYS 301 CO 0.11 0.13 0.42 0.14 -0.92 0.00 0.00 175.35 175.23 1f4j s VAL 302 N -1.27 3.33 -0.32 3.17 -7.23 -1.26 -4.90 120.40 111.92 1f4j s VAL 302 Ca -0.05 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1f4j s VAL 302 Cb -0.10 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1f4j s VAL 302 CO 0.01 -0.09 0.12 0.26 -0.31 0.00 0.00 175.10 175.09 1f4j s TRP 303 N -2.32 3.20 -0.07 2.82 0.51 -1.26 -5.05 118.94 116.76 1f4j s TRP 303 Ca 0.47 -1.07 -0.36 0.00 -2.12 0.00 0.00 56.10 53.02 1f4j s TRP 303 Cb -0.07 -2.30 -0.14 0.00 -0.81 0.00 0.00 33.47 30.15 1f4j s TRP 303 CO 0.30 -0.62 1.72 -2.30 -0.51 0.00 0.00 176.95 175.53 1f4j n PRO 304 N 4.88 1.77 -0.21 4.98 -0.02 -1.26 -4.78 135.00 140.36 1f4j n PRO 304 Ca -0.13 0.65 0.24 0.00 -2.02 0.00 0.00 63.50 62.24 1f4j n PRO 304 Cb 0.47 -2.41 0.62 0.00 -0.02 0.00 0.00 33.50 32.16 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 7.49 0.27 -0.65 6.00 3.86 -1.98 0.23 115.15 130.38 1f4j h HIS 305 Ca -0.47 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 1f4j h HIS 305 Cb 1.29 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 1f4j h HIS 305 CO 0.77 0.06 0.28 0.87 0.86 0.00 0.00 177.93 180.77 1f4j h LYS 306 N 0.19 0.93 0.00 2.45 6.56 -2.00 -2.41 116.57 122.30 1f4j h LYS 306 Ca 0.46 -0.14 -0.14 0.00 -1.06 0.00 0.00 60.65 59.77 1f4j h LYS 306 Cb 1.48 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.94 1f4j h LYS 306 CO -0.10 0.74 -1.98 -0.25 -2.06 0.00 0.00 179.45 175.81 1f4j n ASP 307 N -4.33 0.18 -3.50 0.86 8.00 0.39 -4.71 116.55 113.43 1f4j n ASP 307 Ca 0.06 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 1f4j n ASP 307 Cb 0.15 1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 42.47 1f4j n ASP 307 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f4j s TYR 308 N -3.10 1.30 0.56 1.24 2.02 0.54 -5.05 117.35 114.86 1f4j s TYR 308 Ca -0.07 -2.20 -0.20 0.00 -0.37 0.00 0.00 57.07 54.22 1f4j s TYR 308 Cb 0.10 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1f4j s TYR 308 CO 0.86 -0.80 1.20 -1.25 -1.57 0.00 0.00 175.55 174.00 1f4j s PRO 309 N 0.29 3.19 0.21 -1.71 0.04 -0.91 -4.24 135.00 131.86 1f4j s PRO 309 Ca 0.25 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1f4j s PRO 309 Cb -0.09 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1f4j s PRO 309 CO -0.10 -1.03 1.32 -0.51 0.04 0.00 0.00 177.00 176.72 1f4j s LEU 310 N -3.80 4.41 -0.20 -3.56 1.43 -1.26 -4.49 118.68 111.21 1f4j s LEU 310 Ca 0.74 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 56.24 1f4j s LEU 310 Cb -0.30 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1f4j s LEU 310 CO 0.33 -0.55 0.01 -0.63 0.23 0.00 0.00 176.35 175.75 1f4j s ILE 311 N 0.02 4.07 0.41 -0.59 -1.09 0.14 -4.89 121.20 119.27 1f4j s ILE 311 Ca 0.56 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 58.45 1f4j s ILE 311 Cb -0.37 -2.84 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 1f4j s ILE 311 CO 0.40 0.43 1.35 -2.16 -1.23 0.00 0.00 174.94 173.73 1f4j s PRO 312 N 0.96 3.93 0.15 2.79 0.04 -1.26 -1.14 135.00 140.46 1f4j s PRO 312 Ca 0.02 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1f4j s PRO 312 Cb -0.14 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1f4j s PRO 312 CO 0.02 -0.57 0.00 0.28 0.04 0.00 0.00 177.00 176.77 1f4j n VAL 313 N 0.11 0.62 -1.21 -0.36 0.31 0.94 -4.61 118.33 114.13 1f4j n VAL 313 Ca 0.04 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1f4j n VAL 313 Cb 0.43 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 2.66 3.52 3.01 2.92 0.00 -0.90 -0.73 105.19 115.67 1f4j n GLY 314 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1f4j n GLY 314 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f4j s LYS 315 N 1.88 0.21 -0.16 1.61 2.20 -0.05 -1.23 119.74 124.19 1f4j s LYS 315 Ca 0.00 -0.00 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1f4j s LYS 315 Cb 0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1f4j s LYS 315 CO 0.00 -0.04 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.37 1f4j s LEU 316 N -0.31 2.95 -0.06 5.43 1.43 0.98 -1.10 118.68 128.01 1f4j s LEU 316 Ca -0.04 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1f4j s LEU 316 Cb -0.03 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1f4j s LEU 316 CO 0.00 0.12 -0.04 -0.69 0.23 0.00 0.00 176.35 175.97 1f4j s VAL 317 N 0.63 0.57 -0.34 -1.59 1.01 -0.45 0.40 120.40 120.63 1f4j s VAL 317 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1f4j s VAL 317 Cb -0.15 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1f4j s VAL 317 CO 0.03 0.25 0.14 -0.76 0.00 0.00 0.00 175.10 174.75 1f4j s LEU 318 N 1.18 4.34 -0.06 3.92 1.43 -0.54 -0.43 118.68 128.53 1f4j s LEU 318 Ca -0.07 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.18 1f4j s LEU 318 Cb -0.14 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.27 1f4j s LEU 318 CO -0.01 -0.31 1.03 -0.46 0.23 0.00 0.00 176.35 176.83 1f4j n ASN 319 N 4.91 1.86 -3.68 2.29 0.23 0.66 -3.66 115.26 117.86 1f4j n ASN 319 Ca -0.13 -2.39 -0.10 0.00 -0.53 0.00 0.00 54.58 51.43 1f4j n ASN 319 Cb 0.46 -0.20 -0.11 0.00 -2.08 0.00 0.00 39.78 37.86 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 -1.66 0.34 0.66 -3.83 3.52 -0.42 -4.99 118.95 112.58 1f4j s ARG 320 Ca 0.14 0.87 -0.09 0.00 -0.13 0.00 0.00 55.73 56.51 1f4j s ARG 320 Cb 0.12 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 1f4j s ARG 320 CO 0.01 -0.20 1.02 -0.80 -0.81 0.00 0.00 175.30 174.52 1f4j s ASN 321 N 1.91 5.47 0.67 -2.12 0.02 -1.26 -0.73 114.94 118.90 1f4j s ASN 321 Ca -0.06 0.95 -0.13 0.00 -1.02 0.00 0.00 52.86 52.59 1f4j s ASN 321 Cb -0.10 -1.81 0.00 0.00 0.02 0.00 0.00 41.25 39.36 1f4j s ASN 321 CO -0.12 -1.25 1.08 -2.16 0.02 0.00 0.00 177.10 174.67 1f4j s PRO 322 N -5.22 2.86 -0.16 -0.60 0.04 -1.26 -4.86 135.00 125.80 1f4j s PRO 322 Ca 0.57 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1f4j s PRO 322 Cb -0.11 -1.97 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1f4j s PRO 322 CO 0.49 -1.18 0.20 0.28 0.04 0.00 0.00 177.00 176.83 1f4j n VAL 323 N -2.67 1.56 -3.72 -0.36 0.31 -1.26 -4.80 118.33 107.39 1f4j n VAL 323 Ca 0.09 -0.72 -0.27 0.00 -0.01 0.00 0.00 64.34 63.43 1f4j n VAL 323 Cb 0.53 -1.15 -0.17 0.00 -0.91 0.00 0.00 33.84 32.14 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 -6.27 2.81 0.11 4.52 3.84 -1.26 -5.06 114.94 113.63 1f4j s ASN 324 Ca -0.18 -0.78 -0.22 0.00 0.21 0.00 0.00 52.86 51.89 1f4j s ASN 324 Cb 0.07 -0.55 -0.09 0.00 -0.55 0.00 0.00 41.25 40.14 1f4j s ASN 324 CO 0.75 -0.31 1.72 0.22 -2.79 0.00 0.00 177.10 176.69 1f4j h TYR 325 N 8.27 -0.07 -0.84 0.43 3.20 -1.98 -2.01 116.97 123.97 1f4j h TYR 325 Ca -0.16 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.81 1f4j h TYR 325 Cb 1.12 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 1f4j h TYR 325 CO 0.27 -0.05 0.55 0.35 -1.64 0.00 0.00 178.16 177.64 1f4j h PHE 326 N -0.02 0.87 0.07 -3.82 3.57 -1.97 0.35 116.94 116.00 1f4j h PHE 326 Ca 0.05 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.32 1f4j h PHE 326 Cb 0.09 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1f4j h PHE 326 CO -0.15 0.41 -1.21 0.00 -2.23 0.00 0.00 178.31 175.12 1f4j h ALA 327 N 1.58 0.26 0.00 2.41 0.00 -1.92 -1.89 119.26 119.69 1f4j h ALA 327 Ca 0.39 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1f4j h ALA 327 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1f4j h ALA 327 CO -0.16 1.14 -1.89 0.39 0.00 0.00 0.00 179.25 178.74 1f4j n GLU 328 N -3.42 0.63 0.00 0.00 1.02 -0.77 -4.48 120.64 113.62 1f4j n GLU 328 Ca -0.07 -0.15 -0.03 0.00 -0.02 0.00 0.00 57.16 56.90 1f4j n GLU 328 Cb 0.99 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.96 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 -2.20 1.12 -0.13 2.62 0.31 0.12 -4.31 118.33 115.86 1f4j n VAL 329 Ca -0.06 0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.53 1f4j n VAL 329 Cb 0.55 -1.75 0.04 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.29 0.10 0.00 5.55 4.57 -1.47 -1.40 114.58 121.64 1f4j h GLU 330 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1f4j h GLU 330 Cb 0.29 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1f4j h GLU 330 CO 0.00 0.07 0.00 1.04 -1.18 0.00 0.00 179.01 178.94 1f4j n GLN 331 N -5.21 0.22 -1.69 1.92 6.02 -0.71 -4.88 117.38 113.05 1f4j n GLN 331 Ca 0.04 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.75 1f4j n GLN 331 Cb 0.23 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.73 2.77 -0.09 5.09 2.07 -0.53 -4.93 121.20 122.86 1f4j s ILE 332 Ca 0.19 0.39 -0.03 0.00 -1.41 0.00 0.00 60.65 59.79 1f4j s ILE 332 Cb 0.16 -2.96 0.05 0.00 0.13 0.00 0.00 42.46 39.84 1f4j s ILE 332 CO 0.40 -0.19 0.16 0.00 -1.91 0.00 0.00 174.94 173.40 1f4j s ALA 333 N -2.06 -0.17 -0.12 1.50 0.00 -1.26 -5.03 121.76 114.62 1f4j s ALA 333 Ca 0.72 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 1f4j s ALA 333 Cb -0.26 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1f4j s ALA 333 CO 0.41 -0.57 0.00 -0.06 0.00 0.00 0.00 175.76 175.55 1f4j s PHE 334 N 2.30 3.14 -0.22 0.00 0.40 -1.26 -4.94 117.98 117.40 1f4j s PHE 334 Ca 0.03 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 1f4j s PHE 334 Cb -0.12 -1.88 0.05 0.00 0.51 0.00 0.00 43.02 41.57 1f4j s PHE 334 CO -0.06 0.29 -0.11 -0.51 0.70 0.00 0.00 175.22 175.53 1f4j s ASP 335 N -0.34 3.83 0.55 1.36 1.01 -1.26 -4.86 116.67 116.96 1f4j s ASP 335 Ca 0.07 -1.09 0.33 0.00 0.71 0.00 0.00 52.55 52.56 1f4j s ASP 335 Cb -0.12 -1.38 1.48 0.00 1.01 0.00 0.00 42.92 43.91 1f4j s ASP 335 CO 0.02 -0.16 1.83 -0.65 0.21 0.00 0.00 175.17 176.43 1f4j h PRO 336 N 7.89 0.00 0.00 8.23 0.11 -1.82 0.47 132.00 146.88 1f4j h PRO 336 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1f4j n SER 337 N -4.07 0.00 -4.51 -2.05 3.41 -1.26 -4.41 113.62 100.72 1f4j n SER 337 Ca 0.19 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1f4j n SER 337 Cb 1.03 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.32 6.47 -0.04 4.04 0.01 0.17 -4.95 114.94 118.32 1f4j s ASN 338 Ca 0.23 -1.49 0.01 0.00 -0.71 0.00 0.00 52.86 50.90 1f4j s ASN 338 Cb 0.13 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1f4j s ASN 338 CO 0.26 -1.39 -0.02 -0.04 -1.51 0.00 0.00 177.10 174.40 1f4j s MET 339 N 4.23 0.52 0.62 -0.60 -1.94 -1.26 -0.52 119.30 120.35 1f4j s MET 339 Ca 0.38 0.01 -0.06 0.00 -1.71 0.00 0.00 55.69 54.31 1f4j s MET 339 Cb -0.04 -0.64 0.02 0.00 2.01 0.00 0.00 34.83 36.18 1f4j s MET 339 CO -0.05 -0.12 0.92 -1.25 -0.01 0.00 0.00 175.02 174.51 1f4j s PRO 340 N 1.02 2.71 0.20 2.03 0.04 -1.26 -4.93 135.00 134.81 1f4j s PRO 340 Ca -0.10 -0.11 -0.32 0.00 0.04 0.00 0.00 61.00 60.51 1f4j s PRO 340 Cb -0.14 -2.26 -0.14 0.00 0.04 0.00 0.00 34.50 32.00 1f4j s PRO 340 CO -0.01 -0.84 1.35 -2.30 0.04 0.00 0.00 177.00 175.24 1f4j n PRO 341 N -2.65 1.74 0.00 0.56 -0.02 -1.26 -1.61 135.00 131.75 1f4j n PRO 341 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1f4j n PRO 341 Cb 0.58 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.27 1.81 2.82 -1.23 0.00 -1.26 -2.86 105.19 106.74 1f4j n GLY 342 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.33 0.64 0.29 -0.61 1.01 -0.63 -1.57 121.20 118.00 1f4j s ILE 343 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1f4j s ILE 343 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1f4j s ILE 343 CO 0.00 0.30 0.14 -1.61 0.00 0.00 0.00 174.94 173.77 1f4j s GLU 344 N 1.87 1.54 0.39 2.79 2.02 -0.02 -4.30 118.70 122.99 1f4j s GLU 344 Ca 0.05 -1.87 -0.12 0.00 0.02 0.00 0.00 54.97 53.05 1f4j s GLU 344 Cb -0.12 -0.13 -0.07 0.00 0.10 0.00 0.00 34.13 33.91 1f4j s GLU 344 CO -0.06 -0.41 0.77 0.00 0.02 0.00 0.00 175.26 175.57 1f4j s ALA 345 N -3.66 3.33 0.50 5.21 0.00 -1.26 -1.29 121.76 124.60 1f4j s ALA 345 Ca 0.36 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1f4j s ALA 345 Cb 0.06 -2.74 0.04 0.00 0.00 0.00 0.00 23.12 20.48 1f4j s ALA 345 CO 0.16 0.06 0.64 -1.54 0.00 0.00 0.00 175.76 175.09 1f4j s SER 346 N -2.94 5.27 0.00 0.00 1.04 -1.25 -4.50 113.70 111.31 1f4j s SER 346 Ca 0.52 -0.71 0.11 0.00 0.48 0.00 0.00 55.95 56.35 1f4j s SER 346 Cb -0.10 -0.13 0.67 0.00 0.10 0.00 0.00 66.02 66.57 1f4j s SER 346 CO 0.28 -1.04 1.25 -0.81 0.98 0.00 0.00 173.24 173.89 1f4j n PRO 347 N -2.00 0.76 -1.62 4.02 -0.04 -1.26 -4.69 135.00 130.17 1f4j n PRO 347 Ca 0.10 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 62.99 1f4j n PRO 347 Cb 0.61 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 1f4j n PRO 347 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f4j n ASP 348 N -0.73 2.04 -0.36 3.54 -0.08 -1.26 -4.82 116.55 114.89 1f4j n ASP 348 Ca 0.08 0.93 0.09 0.00 -1.51 0.00 0.00 54.79 54.39 1f4j n ASP 348 Cb 0.04 -1.11 0.27 0.00 2.34 0.00 0.00 41.12 42.66 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 8.11 0.87 0.76 -0.67 1.57 -1.80 0.14 116.57 125.56 1f4j h LYS 349 Ca -0.39 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1f4j h LYS 349 Cb 1.34 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1f4j h LYS 349 CO 0.99 0.58 -0.37 0.52 -0.57 0.00 0.00 179.45 180.60 1f4j h MET 350 N 0.90 -0.99 -0.73 3.15 2.86 -1.88 -1.96 114.93 116.28 1f4j h MET 350 Ca 0.53 0.07 0.14 0.00 -2.06 0.00 0.00 59.70 58.38 1f4j h MET 350 Cb 0.65 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.44 1f4j h MET 350 CO -0.31 -0.64 0.25 1.25 1.06 0.00 0.00 176.91 178.52 1f4j h LEU 351 N -1.13 0.19 -0.69 1.22 5.85 -1.82 -0.71 115.31 118.23 1f4j h LEU 351 Ca -0.10 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1f4j h LEU 351 Cb 0.80 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 1f4j h LEU 351 CO 0.17 0.06 0.25 1.56 -0.34 0.00 0.00 178.44 180.14 1f4j h GLN 352 N 0.38 0.39 -0.10 1.25 1.08 -0.49 -1.37 115.11 116.26 1f4j h GLN 352 Ca 0.40 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.43 1f4j h GLN 352 Cb 0.62 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1f4j h GLN 352 CO -0.42 0.26 -0.58 0.78 -0.95 0.00 0.00 178.83 177.92 1f4j h GLY 353 N 0.40 0.34 2.00 3.46 0.00 -0.37 -2.86 103.07 106.04 1f4j h GLY 353 Ca 0.37 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1f4j h GLY 353 CO -0.38 0.36 -0.12 3.21 0.00 0.00 0.00 176.54 179.61 1f4j h ARG 354 N 0.23 0.00 -0.18 4.80 3.08 -0.49 -0.97 114.38 120.86 1f4j h ARG 354 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1f4j h ARG 354 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1f4j h ARG 354 CO 0.09 0.12 0.13 -0.07 -1.07 0.00 0.00 179.97 179.18 1f4j h LEU 355 N 0.00 0.00 0.02 3.04 3.38 -1.13 -3.09 115.31 117.53 1f4j h LEU 355 Ca -0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1f4j h LEU 355 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1f4j h LEU 355 CO 0.02 0.00 -2.20 0.33 0.09 0.00 0.00 178.44 176.68 1f4j n PHE 356 N -4.38 0.38 -0.32 1.13 7.35 -0.43 -4.61 117.46 116.58 1f4j n PHE 356 Ca 0.01 0.13 0.11 0.00 -0.76 0.00 0.00 57.45 56.94 1f4j n PHE 356 Cb 0.27 -1.04 0.32 0.00 0.35 0.00 0.00 39.48 39.38 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 -0.50 1.71 0.35 3.13 0.00 -1.30 -2.96 119.26 119.68 1f4j h ALA 357 Ca -0.56 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1f4j h ALA 357 Cb 1.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1f4j h ALA 357 CO -0.23 0.02 -0.17 1.88 0.00 0.00 0.00 179.25 180.75 1f4j h TYR 358 N 0.80 -0.44 -0.15 0.00 -1.99 -1.81 -0.25 116.97 113.15 1f4j h TYR 358 Ca 0.50 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.26 1f4j h TYR 358 Cb 0.70 0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 1f4j h TYR 358 CO -0.00 -0.16 0.16 -1.35 -0.00 0.00 0.00 178.16 176.80 1f4j h PRO 359 N -1.05 0.00 0.28 4.88 0.11 -1.83 0.26 132.00 134.65 1f4j h PRO 359 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1f4j h PRO 359 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1f4j h PRO 359 CO 0.08 0.00 -0.13 0.22 -0.21 0.00 0.00 178.00 177.95 1f4j h ASP 360 N 0.00 -0.32 -0.02 -2.05 3.58 -1.47 -1.82 116.42 114.33 1f4j h ASP 360 Ca 0.07 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1f4j h ASP 360 Cb 0.38 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1f4j h ASP 360 CO -0.00 0.15 -0.08 0.00 -2.88 0.00 0.00 179.24 176.43 1f4j h THR 361 N -0.90 1.15 -0.26 2.25 1.03 -0.42 -2.38 112.91 113.37 1f4j h THR 361 Ca -0.04 -0.63 -0.11 0.00 -0.01 0.00 0.00 66.41 65.62 1f4j h THR 361 Cb 0.51 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.70 1f4j h THR 361 CO 0.06 0.20 -0.28 0.45 -0.01 0.00 0.00 175.52 175.94 1f4j h HIS 362 N 0.22 0.60 0.00 0.00 3.86 -0.47 0.34 115.15 119.70 1f4j h HIS 362 Ca 0.05 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1f4j h HIS 362 Cb 0.29 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1f4j h HIS 362 CO 0.00 0.76 -0.02 0.00 0.86 0.00 0.00 177.93 179.53 1f4j h ARG 363 N 0.46 0.00 0.00 2.45 3.08 -0.81 -0.56 114.38 119.00 1f4j h ARG 363 Ca 0.06 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.89 1f4j h ARG 363 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1f4j h ARG 363 CO 0.06 0.02 -1.25 1.58 -1.07 0.00 0.00 179.97 179.31 1f4j n HIS 364 N -3.14 1.00 -0.13 3.04 -0.00 -0.53 -2.54 115.22 112.91 1f4j n HIS 364 Ca -0.00 0.43 -0.11 0.00 0.46 0.00 0.00 57.72 58.50 1f4j n HIS 364 Cb 0.28 -1.08 -0.02 0.00 -0.12 0.00 0.00 29.99 29.04 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 0.74 0.00 1.57 2.43 -0.37 -3.38 114.38 114.37 1f4j h ARG 365 Ca -0.34 -0.28 -0.40 0.00 -0.81 0.00 0.00 59.98 58.15 1f4j h ARG 365 Cb 1.27 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1f4j h ARG 365 CO -0.21 0.88 -2.37 1.28 -1.51 0.00 0.00 179.97 178.04 1f4j n LEU 366 N -4.36 2.13 0.00 3.80 4.77 -0.28 -4.44 117.00 118.63 1f4j n LEU 366 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1f4j n LEU 366 Cb 0.35 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1f4j n LEU 366 CO 0.42 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1f4j n GLY 367 N 1.73 4.00 0.30 -0.72 0.00 -0.84 -4.80 105.19 104.85 1f4j n GLY 367 Ca -0.47 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.09 1f4j n GLY 367 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f4j n PRO 368 N -1.62 -0.06 -1.30 1.61 -0.02 -1.23 -0.85 135.00 131.52 1f4j n PRO 368 Ca 0.00 1.28 -0.27 0.00 -2.02 0.00 0.00 63.50 62.49 1f4j n PRO 368 Cb 0.00 -2.13 0.12 0.00 -0.02 0.00 0.00 33.50 31.47 1f4j n PRO 368 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1f4j n ASN 369 N -5.18 5.52 0.28 2.55 3.02 -1.26 -4.68 115.26 115.51 1f4j n ASN 369 Ca 0.26 -3.73 0.16 0.00 -0.03 0.00 0.00 54.58 51.24 1f4j n ASN 369 Cb 0.85 -0.84 0.86 0.00 -0.61 0.00 0.00 39.78 40.05 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 1.56 0.00 0.00 3.10 -0.00 -1.31 0.16 116.97 120.48 1f4j h TYR 370 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.29 1f4j h TYR 370 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.41 1f4j h TYR 370 CO 1.40 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.84 1f4j n LEU 371 N -2.71 0.00 0.13 0.10 4.77 -1.26 -2.57 117.00 115.45 1f4j n LEU 371 Ca -0.02 0.34 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1f4j n LEU 371 Cb 0.18 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1f4j n LEU 371 CO 0.14 -0.04 0.20 0.45 -1.33 0.00 0.00 177.39 176.81 1f4j h HIS 372 N 0.00 0.00 -2.51 -1.77 3.86 -1.01 -3.06 115.15 110.66 1f4j h HIS 372 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1f4j h HIS 372 Cb 0.31 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.84 1f4j h HIS 372 CO 0.00 0.10 0.88 -0.89 0.86 0.00 0.00 177.93 178.87 1f4j n ILE 373 N -2.83 0.12 -0.36 2.45 5.41 -1.06 -4.72 119.36 118.36 1f4j n ILE 373 Ca -0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 62.75 63.71 1f4j n ILE 373 Cb 0.59 -1.74 0.05 0.00 -0.71 0.00 0.00 39.64 37.83 1f4j n ILE 373 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1f4j h PRO 374 N 6.08 -0.02 0.00 0.38 0.11 -1.90 0.30 132.00 136.95 1f4j h PRO 374 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f4j h PRO 374 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1f4j h PRO 374 CO 0.90 -0.01 0.00 -0.39 -0.21 0.00 0.00 178.00 178.29 1f4j h VAL 375 N -0.02 0.00 0.00 3.15 -1.51 -1.89 -2.36 116.25 113.61 1f4j h VAL 375 Ca 0.35 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1f4j h VAL 375 Cb 0.61 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1f4j h VAL 375 CO -0.95 0.00 -1.61 0.59 -1.23 0.00 0.00 177.57 174.37 1f4j n ASN 376 N -2.45 0.39 -4.73 4.19 3.02 0.03 -4.90 115.26 110.82 1f4j n ASN 376 Ca -0.01 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 1f4j n ASN 376 Cb 0.11 1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 40.86 1f4j n ASN 376 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f4j n PRO 378 N 2.92 3.21 0.26 0.00 -0.04 -1.26 -4.77 135.00 135.32 1f4j n PRO 378 Ca 0.08 -3.31 0.15 0.00 -0.04 0.00 0.00 63.50 60.38 1f4j n PRO 378 Cb 0.41 -3.33 0.65 0.00 -0.04 0.00 0.00 33.50 31.20 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 7.09 0.00 -0.50 0.54 -0.00 -1.92 -2.48 116.97 119.71 1f4j h TYR 379 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.17 1f4j h TYR 379 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.55 1f4j h TYR 379 CO 1.35 0.09 0.00 0.54 -0.00 0.00 0.00 178.16 180.14 1f4j n ARG 380 N -3.26 2.22 -4.51 0.10 1.74 -1.26 -4.85 116.66 106.84 1f4j n ARG 380 Ca -0.00 -1.81 -0.25 0.00 -0.77 0.00 0.00 57.85 55.02 1f4j n ARG 380 Cb 0.32 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 1f4j n ARG 380 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1f4j s ALA 381 N -1.36 2.84 -0.55 7.54 0.00 -0.93 -4.00 121.76 125.29 1f4j s ALA 381 Ca 0.34 -2.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1f4j s ALA 381 Cb 0.18 -0.12 0.14 0.00 0.00 0.00 0.00 23.12 23.32 1f4j s ALA 381 CO 0.22 0.15 0.37 0.50 0.00 0.00 0.00 175.76 177.01 1f4j s ARG 382 N -3.57 2.41 0.10 0.00 6.06 -1.26 -4.95 118.95 117.73 1f4j s ARG 382 Ca 0.31 -2.26 -0.31 0.00 -2.50 0.00 0.00 55.73 50.98 1f4j s ARG 382 Cb -0.00 -3.72 -0.07 0.00 0.06 0.00 0.00 34.95 31.22 1f4j s ARG 382 CO 0.16 -1.15 1.29 0.08 -2.50 0.00 0.00 175.30 173.18 1f4j s VAL 383 N 0.41 3.62 -0.25 7.11 1.01 -1.26 -5.01 120.40 126.03 1f4j s VAL 383 Ca 0.13 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 1f4j s VAL 383 Cb -0.21 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.50 1f4j s VAL 383 CO -0.04 0.10 0.59 0.00 0.00 0.00 0.00 175.10 175.75 1f4j s ALA 384 N 0.97 -1.65 0.00 5.51 0.00 -1.26 -5.13 121.76 120.20 1f4j s ALA 384 Ca 0.61 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.68 1f4j s ALA 384 Cb -0.33 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1f4j s ALA 384 CO 0.31 -0.50 0.00 0.27 0.00 0.00 0.00 175.76 175.84 1f4j n ASN 385 N 4.63 0.00 -1.07 0.00 0.23 -1.26 -4.96 115.26 112.83 1f4j n ASN 385 Ca -0.18 -0.35 0.03 0.00 -0.53 0.00 0.00 54.58 53.56 1f4j n ASN 385 Cb 0.55 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.50 1f4j n ASN 385 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1f4j n TYR 386 N 0.00 1.14 -3.30 -2.53 4.02 -1.26 -4.95 117.16 110.28 1f4j n TYR 386 Ca 0.00 -1.13 -0.34 0.00 -0.01 0.00 0.00 57.90 56.42 1f4j n TYR 386 Cb 0.00 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 38.86 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 -2.98 3.96 0.26 -0.72 -0.21 -1.26 -4.83 119.66 113.89 1f4j s GLN 387 Ca 0.44 0.51 -0.14 0.00 0.02 0.00 0.00 55.36 56.19 1f4j s GLN 387 Cb 0.37 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.64 1f4j s GLN 387 CO 0.07 0.36 0.53 1.03 -2.12 0.00 0.00 175.29 175.16 1f4j s ARG 388 N -2.42 1.63 2.22 2.91 1.81 -1.26 -4.96 118.95 118.88 1f4j s ARG 388 Ca 0.45 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1f4j s ARG 388 Cb -0.13 0.50 0.00 0.00 -0.45 0.00 0.00 34.95 34.87 1f4j s ARG 388 CO 0.20 -0.69 0.00 -0.25 -0.68 0.00 0.00 175.30 173.87 1f4j n ASP 389 N -0.46 0.00 0.00 0.23 10.43 -1.26 -5.05 116.55 120.44 1f4j n ASP 389 Ca -0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.34 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 1.59 3.64 0.44 0.00 -1.26 -4.74 105.19 104.85 1f4j n GLY 390 Ca 0.00 -1.80 -0.47 0.00 0.00 0.00 0.00 46.02 43.75 1f4j n GLY 390 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f4j n PRO 391 N 1.49 1.73 -3.52 1.61 -0.02 -1.26 -3.07 135.00 131.96 1f4j n PRO 391 Ca 0.00 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1f4j n PRO 391 Cb 0.00 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1f4j n PRO 391 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1f4j n MET 392 N 2.19 -3.81 -2.31 -0.52 2.81 -1.26 -4.35 117.12 109.87 1f4j n MET 392 Ca 0.14 0.70 -0.43 0.00 -1.81 0.00 0.00 57.70 56.30 1f4j n MET 392 Cb 0.28 -5.29 -0.02 0.00 -0.71 0.00 0.00 33.22 27.48 1f4j n MET 392 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f4j n MET 394 N 7.58 0.81 0.00 0.00 2.81 -1.26 -4.96 117.12 122.11 1f4j n MET 394 Ca 0.16 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 1f4j n MET 394 Cb 0.46 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1f4j n MET 394 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1f4j n GLN 395 N -0.63 3.77 -0.08 0.03 3.00 -1.26 -4.96 117.38 117.25 1f4j n GLN 395 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.19 1f4j n GLN 395 Cb 0.37 0.00 0.37 0.00 0.00 0.00 0.00 30.24 30.97 1f4j n GLN 395 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1f4j n ASP 396 N 0.00 1.38 -3.34 1.08 5.75 -1.26 -4.89 116.55 115.27 1f4j n ASP 396 Ca 0.00 -1.70 -0.24 0.00 -0.01 0.00 0.00 54.79 52.84 1f4j n ASP 396 Cb 0.00 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.15 -4.70 -2.24 -1.12 5.15 -1.26 -0.92 115.26 110.32 1f4j n ASN 397 Ca 0.15 -0.42 -0.19 0.00 -0.60 0.00 0.00 54.58 53.52 1f4j n ASN 397 Cb 0.27 -3.82 -0.00 0.00 -0.53 0.00 0.00 39.78 35.70 1f4j n ASN 397 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f4j n GLN 398 N -3.99 -1.82 0.00 1.20 6.02 -1.26 -4.83 117.38 112.70 1f4j n GLN 398 Ca -0.04 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 1f4j n GLN 398 Cb 0.56 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.33 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 -1.06 2.92 0.86 1.08 0.00 -0.10 -2.60 105.19 106.30 1f4j n GLY 399 Ca -0.22 0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1f4j n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4j n GLY 400 N 0.00 1.95 3.37 -0.02 0.00 -1.26 -5.04 105.19 104.19 1f4j n GLY 400 Ca 0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.12 -1.67 4.61 0.00 -1.07 -4.77 120.51 116.48 1f4j n ALA 401 Ca 0.15 -0.12 -0.47 0.00 0.00 0.00 0.00 53.44 53.00 1f4j n ALA 401 Cb 0.48 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1f4j n ALA 401 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f4j n PRO 402 N 0.47 2.08 -0.90 0.00 -0.02 -1.26 -4.86 135.00 130.51 1f4j n PRO 402 Ca 0.09 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 1f4j n PRO 402 Cb 0.48 -2.53 0.38 0.00 -0.02 0.00 0.00 33.50 31.82 1f4j n PRO 402 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1f4j n ASN 403 N 4.03 5.49 -4.06 2.55 2.04 -1.26 -4.89 115.26 119.15 1f4j n ASN 403 Ca 0.18 -2.95 -0.14 0.00 -0.44 0.00 0.00 54.58 51.23 1f4j n ASN 403 Cb 0.28 -0.69 -0.12 0.00 -2.53 0.00 0.00 39.78 36.72 1f4j n ASN 403 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1f4j s TYR 404 N -2.75 0.70 -0.03 -2.53 1.13 -1.26 -4.85 117.35 107.76 1f4j s TYR 404 Ca 0.53 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.77 1f4j s TYR 404 Cb 0.41 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 1f4j s TYR 404 CO 0.15 -0.06 -0.10 -0.47 -2.51 0.00 0.00 175.55 172.55 1f4j s TYR 405 N -1.23 1.12 0.83 -3.49 5.04 -1.26 -3.96 117.35 114.41 1f4j s TYR 405 Ca -0.08 -0.31 -0.12 0.00 -2.44 0.00 0.00 57.07 54.12 1f4j s TYR 405 Cb -0.09 -0.80 0.09 0.00 0.35 0.00 0.00 41.96 41.51 1f4j s TYR 405 CO 0.00 -0.14 1.16 -1.25 -1.34 0.00 0.00 175.55 173.99 1f4j s PRO 406 N 0.27 1.81 0.10 4.97 0.05 -1.26 -5.20 135.00 135.75 1f4j s PRO 406 Ca -0.05 0.19 -0.10 0.00 0.05 0.00 0.00 61.00 61.08 1f4j s PRO 406 Cb -0.10 -1.93 0.01 0.00 0.05 0.00 0.00 34.50 32.53 1f4j s PRO 406 CO 0.01 -1.71 0.25 0.54 0.05 0.00 0.00 177.00 176.13 1f4j s ASN 407 N -4.42 0.03 -0.36 6.66 2.20 -1.25 -5.04 114.94 112.76 1f4j s ASN 407 Ca 0.62 -0.59 0.08 0.00 -0.94 0.00 0.00 52.86 52.03 1f4j s ASN 407 Cb -0.12 0.38 0.69 0.00 -2.00 0.00 0.00 41.25 40.20 1f4j s ASN 407 CO 0.50 -0.77 1.80 -1.20 -2.94 0.00 0.00 177.10 174.49 1f4j n SER 408 N -0.11 4.22 -2.27 3.54 7.64 -1.26 -4.58 113.62 120.80 1f4j n SER 408 Ca -0.15 -3.40 -0.17 0.00 1.01 0.00 0.00 58.87 56.16 1f4j n SER 408 Cb 0.63 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1f4j n SER 408 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1f4j n PHE 409 N -0.60 2.35 -2.83 1.43 3.72 -1.26 -5.00 117.46 115.27 1f4j n PHE 409 Ca 0.46 -2.24 -0.18 0.00 -0.05 0.00 0.00 57.45 55.44 1f4j n PHE 409 Cb 1.44 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 39.68 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 -0.66 -0.50 3.91 1.37 0.00 -1.26 -4.83 105.19 103.22 1f4j n GLY 410 Ca 0.33 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.86 2.83 0.23 4.61 0.00 -1.26 -4.97 121.76 120.33 1f4j s ALA 411 Ca 0.18 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 1f4j s ALA 411 Cb -0.09 -2.80 -0.16 0.00 0.00 0.00 0.00 23.12 20.07 1f4j s ALA 411 CO 0.22 -1.57 0.72 -2.30 0.00 0.00 0.00 175.76 172.83 1f4j n PRO 412 N -3.19 0.50 -5.03 0.00 -0.02 -1.26 -5.01 135.00 121.00 1f4j n PRO 412 Ca 0.08 0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 1f4j n PRO 412 Cb 0.61 -1.33 -0.15 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.16 1.80 0.30 -0.52 0.41 -1.26 -5.03 118.70 113.24 1f4j s GLU 413 Ca 0.63 -0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 53.98 1f4j s GLU 413 Cb -0.85 -1.82 -0.10 0.00 -1.78 0.00 0.00 34.13 29.57 1f4j s GLU 413 CO 0.57 0.49 1.36 1.14 -0.49 0.00 0.00 175.26 178.33 1f4j s GLN 414 N -0.81 4.32 -0.34 1.61 -2.07 -1.26 -5.00 119.66 116.10 1f4j s GLN 414 Ca 0.09 2.25 -0.08 0.00 -1.82 0.00 0.00 55.36 55.81 1f4j s GLN 414 Cb -0.09 -3.09 0.03 0.00 -1.09 0.00 0.00 33.01 28.77 1f4j s GLN 414 CO 0.00 -0.29 0.13 1.14 -1.32 0.00 0.00 175.29 174.95 1f4j s GLN 415 N -1.22 2.71 0.44 9.60 -2.07 -1.26 -4.99 119.66 122.87 1f4j s GLN 415 Ca 0.53 -1.13 0.32 0.00 -1.82 0.00 0.00 55.36 53.26 1f4j s GLN 415 Cb -0.41 -3.52 1.48 0.00 -1.09 0.00 0.00 33.01 29.47 1f4j s GLN 415 CO 0.49 -0.66 1.60 -1.35 -1.32 0.00 0.00 175.29 174.05 1f4j h PRO 416 N 8.28 0.04 0.00 9.60 0.11 -2.01 0.44 132.00 148.46 1f4j h PRO 416 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1f4j h PRO 416 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1f4j h PRO 416 CO 0.62 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1f4j n SER 417 N -4.70 0.26 -1.06 -2.05 3.41 -1.26 -1.55 113.62 106.68 1f4j n SER 417 Ca 0.39 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.70 1f4j n SER 417 Cb 1.53 -0.64 0.27 0.00 -0.26 0.00 0.00 64.21 65.10 1f4j n SER 417 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4j n ALA 418 N -1.62 2.42 -1.50 7.33 0.00 0.15 -4.95 120.51 122.34 1f4j n ALA 418 Ca 0.01 -0.98 -0.35 0.00 0.00 0.00 0.00 53.44 52.11 1f4j n ALA 418 Cb 0.08 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.17 3.42 0.25 0.00 2.96 -0.60 -4.95 118.68 118.60 1f4j s LEU 419 Ca 0.39 2.47 -0.16 0.00 -0.22 0.00 0.00 54.13 56.61 1f4j s LEU 419 Cb 0.21 -4.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.21 1f4j s LEU 419 CO 0.28 -2.18 0.70 -1.61 -1.32 0.00 0.00 176.35 172.22 1f4j s GLU 420 N -3.68 4.09 0.31 1.98 8.01 -1.26 -5.02 118.70 123.12 1f4j s GLU 420 Ca 0.78 0.71 -0.30 0.00 0.01 0.00 0.00 54.97 56.17 1f4j s GLU 420 Cb -0.33 -2.69 -0.11 0.00 -4.31 0.00 0.00 34.13 26.69 1f4j s GLU 420 CO 0.43 0.30 1.59 -1.58 0.01 0.00 0.00 175.26 176.01 1f4j s HIS 421 N -1.72 2.71 -0.22 1.61 5.65 -1.26 -4.99 115.29 117.08 1f4j s HIS 421 Ca 0.47 0.82 -0.08 0.00 0.25 0.00 0.00 55.06 56.52 1f4j s HIS 421 Cb -0.14 -4.08 -0.04 0.00 -1.18 0.00 0.00 32.58 27.15 1f4j s HIS 421 CO 0.19 -3.57 0.09 -1.12 -0.65 0.00 0.00 174.74 169.69 1f4j s SER 422 N 0.42 5.60 0.07 9.88 0.01 -1.26 -5.09 113.70 123.33 1f4j s SER 422 Ca 0.62 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.93 1f4j s SER 422 Cb -0.48 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1f4j s SER 422 CO 0.50 0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 173.48 1f4j s ILE 423 N 0.90 1.03 -0.17 1.44 1.01 -1.26 -5.14 121.20 119.01 1f4j s ILE 423 Ca 0.05 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 1f4j s ILE 423 Cb -0.14 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1f4j s ILE 423 CO 0.03 -0.24 -0.06 -1.58 0.00 0.00 0.00 174.94 173.08 1f4j s GLN 424 N -1.70 3.48 0.20 2.79 0.74 -1.26 -5.12 119.66 118.79 1f4j s GLN 424 Ca -0.03 -0.61 0.05 0.00 0.05 0.00 0.00 55.36 54.82 1f4j s GLN 424 Cb -0.10 -2.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 1f4j s GLN 424 CO 0.02 0.06 0.24 0.71 -0.55 0.00 0.00 175.29 175.77 1f4j s TYR 425 N 0.81 3.31 0.05 1.67 1.51 -1.26 -5.12 117.35 118.32 1f4j s TYR 425 Ca -0.02 0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 1f4j s TYR 425 Cb -0.15 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1f4j s TYR 425 CO 0.01 0.50 -0.04 0.45 -1.11 0.00 0.00 175.55 175.36 1f4j s SER 426 N -3.51 4.80 0.00 2.29 0.15 -1.26 -5.06 113.70 111.11 1f4j s SER 426 Ca 0.33 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1f4j s SER 426 Cb -0.10 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1f4j s SER 426 CO 0.27 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1f4j n GLY 427 N 1.04 2.44 3.86 9.45 0.00 -1.26 -5.06 105.19 115.66 1f4j n GLY 427 Ca -0.13 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.27 3.70 -0.55 1.61 2.02 -1.26 -4.99 118.70 116.95 1f4j s GLU 428 Ca 0.00 0.77 -0.23 0.00 0.02 0.00 0.00 54.97 55.53 1f4j s GLU 428 Cb 0.00 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.16 1f4j s GLU 428 CO 0.00 -0.45 0.89 0.08 0.02 0.00 0.00 175.26 175.80 1f4j s VAL 429 N -2.97 4.47 0.15 2.63 1.01 -1.26 -4.94 120.40 119.48 1f4j s VAL 429 Ca 0.56 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 1f4j s VAL 429 Cb -0.11 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.84 1f4j s VAL 429 CO 0.46 -1.09 1.03 0.00 0.00 0.00 0.00 175.10 175.50 1f4j s ARG 430 N 3.73 1.17 -0.09 2.72 1.70 -1.26 -5.13 118.95 121.79 1f4j s ARG 430 Ca 0.27 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 1f4j s ARG 430 Cb -0.14 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 1f4j s ARG 430 CO 0.17 -0.54 1.04 1.03 -1.08 0.00 0.00 175.30 175.92 1f4j s ARG 431 N -2.70 4.42 -0.26 3.89 0.52 -1.26 -5.02 118.95 118.53 1f4j s ARG 431 Ca 0.17 1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 56.78 1f4j s ARG 431 Cb -0.01 -3.54 0.02 0.00 0.52 0.00 0.00 34.95 31.93 1f4j s ARG 431 CO 0.03 -0.32 -0.00 -0.06 0.02 0.00 0.00 175.30 174.97 1f4j s PHE 432 N 1.99 3.09 0.32 -0.53 0.08 -1.26 -5.09 117.98 116.58 1f4j s PHE 432 Ca 0.50 -1.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.00 1f4j s PHE 432 Cb -0.19 -2.14 -0.11 0.00 -0.57 0.00 0.00 43.02 40.00 1f4j s PHE 432 CO 0.19 -0.65 1.55 1.21 -0.10 0.00 0.00 175.22 177.42 1f4j s ASN 433 N 1.41 6.38 0.00 1.36 2.47 -1.26 -4.87 114.94 120.43 1f4j s ASN 433 Ca 0.02 2.97 0.00 0.00 0.42 0.00 0.00 52.86 56.26 1f4j s ASN 433 Cb -0.17 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 1f4j s ASN 433 CO -0.01 -0.89 0.54 0.35 -3.72 0.00 0.00 177.10 173.37 1f4j n THR 434 N 1.63 0.27 0.27 -5.21 -2.24 -1.26 -4.76 114.28 102.97 1f4j n THR 434 Ca 0.06 -0.34 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1f4j n THR 434 Cb 0.38 1.06 0.73 0.00 -2.10 0.00 0.00 70.33 70.40 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 0.00 1.74 -0.58 6.98 0.00 -2.01 -2.47 119.26 122.92 1f4j h ALA 435 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f4j h ALA 435 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1f4j h ALA 435 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1f4j n ASN 436 N -4.21 5.75 -3.11 0.00 3.02 -1.26 -4.77 115.26 110.69 1f4j n ASN 436 Ca -0.03 -2.93 -0.17 0.00 -0.03 0.00 0.00 54.58 51.42 1f4j n ASN 436 Cb 0.12 -0.69 0.14 0.00 -0.61 0.00 0.00 39.78 38.74 1f4j n ASN 436 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1f4j n ASP 437 N 0.62 -1.38 -4.68 6.41 9.92 -0.93 -4.88 116.55 121.63 1f4j n ASP 437 Ca 0.28 -0.94 -0.42 0.00 -0.53 0.00 0.00 54.79 53.18 1f4j n ASP 437 Cb 1.20 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 41.07 1f4j n ASP 437 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1f4j s ASP 438 N -3.29 6.69 0.00 -2.24 -1.08 -1.26 -4.86 116.67 110.62 1f4j s ASP 438 Ca 0.41 2.29 0.06 0.00 -0.52 0.00 0.00 52.55 54.79 1f4j s ASP 438 Cb -0.04 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.85 1f4j s ASP 438 CO 0.31 -0.87 0.43 0.59 0.52 0.00 0.00 175.17 176.15 1f4j n ASN 439 N 6.25 0.75 0.00 -0.34 3.02 -1.26 -4.86 115.26 118.82 1f4j n ASN 439 Ca 0.16 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1f4j n ASN 439 Cb 0.42 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 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 -0.60 0.00 0.00 2.41 0.24 -1.26 -4.56 118.33 114.56 1f4j n VAL 440 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1f4j n VAL 440 Cb 0.12 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 1f4j n VAL 440 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1f4j n THR 441 N -2.86 0.00 0.28 3.34 -1.04 -1.26 0.49 114.28 113.23 1f4j n THR 441 Ca 0.00 1.08 0.18 0.00 -2.04 0.00 0.00 64.05 63.27 1f4j n THR 441 Cb 0.50 -1.45 0.94 0.00 -1.82 0.00 0.00 70.33 68.50 1f4j n THR 441 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1f4j h GLN 442 N 0.00 0.00 0.25 -2.82 4.20 -1.93 -0.88 115.11 113.93 1f4j h GLN 442 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1f4j h GLN 442 Cb 0.00 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.82 1f4j h GLN 442 CO 0.00 0.00 -1.47 0.28 -0.67 0.00 0.00 178.83 176.97 1f4j h VAL 443 N 0.00 1.27 -0.05 -0.54 2.07 -0.26 -2.87 116.25 115.87 1f4j h VAL 443 Ca 0.00 -2.68 -0.03 0.00 0.82 0.00 0.00 66.70 64.81 1f4j h VAL 443 Cb 0.05 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1f4j h VAL 443 CO 0.00 0.81 -0.13 -0.09 0.02 0.00 0.00 177.57 178.18 1f4j h ARG 444 N 0.11 0.07 -0.28 1.57 2.43 0.97 -0.14 114.38 119.12 1f4j h ARG 444 Ca -0.26 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1f4j h ARG 444 Cb 2.14 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1f4j h ARG 444 CO 0.26 0.21 -0.29 0.00 -1.51 0.00 0.00 179.97 178.64 1f4j h ALA 445 N 1.80 0.41 -0.44 2.80 0.00 -1.35 -1.61 119.26 120.87 1f4j h ALA 445 Ca 0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1f4j h ALA 445 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1f4j h ALA 445 CO 0.02 0.42 -0.24 0.35 0.00 0.00 0.00 179.25 179.80 1f4j h PHE 446 N 0.42 1.06 -0.24 0.00 3.57 -1.16 0.35 116.94 120.94 1f4j h PHE 446 Ca 0.04 -0.26 -0.15 0.00 3.53 0.00 0.00 57.97 61.13 1f4j h PHE 446 Cb 0.86 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1f4j h PHE 446 CO 0.07 1.06 -0.44 -0.92 -2.23 0.00 0.00 178.31 175.86 1f4j h TYR 447 N 0.79 0.90 0.08 0.41 5.03 -1.06 -2.56 116.97 120.57 1f4j h TYR 447 Ca 0.10 -0.32 -0.29 0.00 2.58 0.00 0.00 58.73 60.80 1f4j h TYR 447 Cb 0.81 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1f4j h TYR 447 CO 0.05 1.10 -1.52 0.28 -1.32 0.00 0.00 178.16 176.75 1f4j h VAL 448 N 0.45 0.88 0.00 1.81 2.07 -1.28 -3.38 116.25 116.78 1f4j h VAL 448 Ca 0.01 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 1f4j h VAL 448 Cb 1.04 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1f4j h VAL 448 CO 0.10 0.64 -0.20 0.78 0.02 0.00 0.00 177.57 178.90 1f4j h ASN 449 N -0.43 0.00 0.45 0.57 -0.26 -0.47 -3.42 115.58 112.02 1f4j h ASN 449 Ca -0.35 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.27 1f4j h ASN 449 Cb 1.68 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.95 1f4j h ASN 449 CO -0.02 0.65 -0.22 0.58 -1.06 0.00 0.00 177.43 177.36 1f4j h VAL 450 N -1.00 0.00 -3.81 2.81 2.07 -1.51 -3.44 116.25 111.37 1f4j h VAL 450 Ca -0.01 -0.00 -0.52 0.00 0.82 0.00 0.00 66.70 66.98 1f4j h VAL 450 Cb 0.27 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1f4j h VAL 450 CO -0.01 0.00 0.65 -0.76 0.02 0.00 0.00 177.57 177.48 1f4j s LEU 451 N -6.68 4.42 0.00 2.57 1.43 -0.97 -5.04 118.68 114.41 1f4j s LEU 451 Ca -0.09 2.68 -0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1f4j s LEU 451 Cb 0.01 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1f4j s LEU 451 CO 0.27 -0.56 0.08 -0.46 0.23 0.00 0.00 176.35 175.91 1f4j n ASN 452 N 1.03 0.10 -0.06 2.29 0.23 -1.26 -4.72 115.26 112.87 1f4j n ASN 452 Ca 0.01 -1.09 -0.15 0.00 -0.53 0.00 0.00 54.58 52.82 1f4j n ASN 452 Cb 0.42 -0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.00 1f4j n ASN 452 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1f4j h GLU 453 N 0.00 0.75 -0.76 -3.83 4.57 -1.96 -1.87 114.58 111.48 1f4j h GLU 453 Ca -0.03 -0.51 0.14 0.00 -1.18 0.00 0.00 59.36 57.78 1f4j h GLU 453 Cb 0.10 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 1f4j h GLU 453 CO 0.03 1.14 0.33 0.93 -1.18 0.00 0.00 179.01 180.25 1f4j h GLU 454 N 0.48 0.47 0.02 1.92 5.08 -2.00 -0.60 114.58 119.96 1f4j h GLU 454 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f4j h GLU 454 Cb 1.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1f4j h GLU 454 CO 0.12 0.31 -0.01 1.96 -1.00 0.00 0.00 179.01 180.39 1f4j h GLN 455 N 0.49 -0.03 -0.44 2.33 4.20 -1.93 -2.23 115.11 117.50 1f4j h GLN 455 Ca 0.41 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.18 1f4j h GLN 455 Cb 0.59 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 1f4j h GLN 455 CO -0.38 0.32 0.16 0.00 -0.67 0.00 0.00 178.83 178.27 1f4j h ARG 456 N -0.38 0.33 0.13 1.46 3.08 -0.78 0.31 114.38 118.53 1f4j h ARG 456 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1f4j h ARG 456 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1f4j h ARG 456 CO 0.00 0.22 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.63 1f4j h LYS 457 N 0.34 -0.42 -1.01 0.04 3.64 -1.12 -1.02 116.57 117.00 1f4j h LYS 457 Ca 0.21 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.86 1f4j h LYS 457 Cb 0.19 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 31.99 1f4j h LYS 457 CO -0.20 -0.28 0.61 -0.09 -2.27 0.00 0.00 179.45 177.21 1f4j h ARG 458 N -0.44 0.55 0.22 1.90 2.43 -1.05 0.04 114.38 118.03 1f4j h ARG 458 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1f4j h ARG 458 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1f4j h ARG 458 CO -0.11 0.37 -0.11 1.25 -1.51 0.00 0.00 179.97 179.86 1f4j h LEU 459 N 0.57 -0.25 -1.26 3.80 5.85 0.11 0.55 115.31 124.68 1f4j h LEU 459 Ca 0.63 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.27 1f4j h LEU 459 Cb 1.24 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1f4j h LEU 459 CO -0.44 -0.11 0.20 0.00 -0.34 0.00 0.00 178.44 177.76 1f4j h GLU 461 N 0.70 0.10 -0.71 0.00 5.08 -0.82 -1.84 114.58 117.09 1f4j h GLU 461 Ca 0.17 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1f4j h GLU 461 Cb 0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1f4j h GLU 461 CO -0.02 0.36 0.46 -0.91 -1.00 0.00 0.00 179.01 177.90 1f4j h ASN 462 N -0.18 0.78 0.45 1.42 2.35 -0.53 -0.61 115.58 119.26 1f4j h ASN 462 Ca 0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1f4j h ASN 462 Cb 0.31 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1f4j h ASN 462 CO 0.00 0.55 -0.22 0.40 -1.65 0.00 0.00 177.43 176.52 1f4j h ILE 463 N 0.92 0.52 -0.95 2.81 2.04 -1.01 -3.13 117.51 118.71 1f4j h ILE 463 Ca 0.27 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1f4j h ILE 463 Cb -0.05 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1f4j h ILE 463 CO -0.08 0.05 0.61 0.00 0.00 0.00 0.00 178.15 178.73 1f4j h ALA 464 N -0.36 1.55 -0.00 1.87 0.00 -1.27 0.22 119.26 121.27 1f4j h ALA 464 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1f4j h ALA 464 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f4j h ALA 464 CO 0.10 0.26 0.01 0.78 0.00 0.00 0.00 179.25 180.40 1f4j h GLY 465 N 0.99 0.00 0.00 0.00 0.00 -1.05 -1.11 103.07 101.90 1f4j h GLY 465 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.51 1f4j h GLY 465 CO -0.20 0.00 -1.99 1.57 0.00 0.00 0.00 176.54 175.92 1f4j n HIS 466 N -3.18 0.00 0.29 5.60 -0.00 -0.37 -4.51 115.22 113.06 1f4j n HIS 466 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.87 1f4j n HIS 466 Cb 0.08 -0.68 0.87 0.00 -0.00 0.00 0.00 29.99 30.26 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 0.00 -1.19 0.27 5.85 -0.35 -2.93 115.31 116.97 1f4j h LEU 467 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1f4j h LEU 467 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1f4j h LEU 467 CO -0.05 0.03 0.00 0.07 -0.34 0.00 0.00 178.44 178.15 1f4j h LYS 468 N 0.00 0.00 0.00 1.25 5.09 -1.44 -2.42 116.57 119.06 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 0.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.64 1f4j h LYS 468 CO 0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 1f4j n ASP 469 N -2.82 0.07 -4.83 7.07 8.00 -1.10 -4.82 116.55 118.12 1f4j n ASP 469 Ca 0.01 0.51 -0.34 0.00 0.71 0.00 0.00 54.79 55.68 1f4j n ASP 469 Cb 0.29 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.01 3.24 0.72 2.24 0.00 -0.91 -4.73 121.76 119.31 1f4j s ALA 470 Ca 0.13 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 1f4j s ALA 470 Cb 0.17 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1f4j s ALA 470 CO 0.51 0.25 0.85 1.04 0.00 0.00 0.00 175.76 178.41 1f4j n GLN 471 N -0.19 0.44 -0.28 0.00 6.02 -1.26 -4.63 117.38 117.48 1f4j n GLN 471 Ca 0.04 0.20 -0.02 0.00 -0.01 0.00 0.00 57.00 57.21 1f4j n GLN 471 Cb 0.53 -2.12 0.10 0.00 1.02 0.00 0.00 30.24 29.77 1f4j n GLN 471 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1f4j h ILE 472 N -0.30 1.09 -0.54 5.09 2.04 -1.95 -0.20 117.51 122.73 1f4j h ILE 472 Ca -0.47 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1f4j h ILE 472 Cb 1.34 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1f4j h ILE 472 CO 0.46 0.17 0.31 2.19 0.00 0.00 0.00 178.15 181.27 1f4j h PHE 473 N 0.93 0.72 -0.26 1.37 -5.15 -1.99 0.63 116.94 113.19 1f4j h PHE 473 Ca 0.32 -0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.05 1f4j h PHE 473 Cb 0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 35.95 35.99 1f4j h PHE 473 CO -0.04 0.50 -0.00 0.82 -2.00 0.00 0.00 178.31 177.59 1f4j h ILE 474 N 0.75 1.26 -0.22 0.88 2.04 -1.64 -2.57 117.51 118.00 1f4j h ILE 474 Ca 0.19 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1f4j h ILE 474 Cb 0.01 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1f4j h ILE 474 CO -0.03 0.29 -0.00 1.56 0.00 0.00 0.00 178.15 179.96 1f4j h GLN 475 N 0.24 0.06 -0.14 2.37 4.20 0.56 -2.42 115.11 119.98 1f4j h GLN 475 Ca 0.07 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1f4j h GLN 475 Cb 0.43 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1f4j h GLN 475 CO 0.01 0.04 -0.30 0.87 -0.67 0.00 0.00 178.83 178.78 1f4j h LYS 476 N 0.06 -0.27 -0.96 1.46 1.79 0.37 -0.54 116.57 118.49 1f4j h LYS 476 Ca 0.10 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.77 1f4j h LYS 476 Cb 0.13 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.76 1f4j h LYS 476 CO -0.18 -0.18 0.61 -0.22 -1.08 0.00 0.00 179.45 178.40 1f4j h LYS 477 N -0.28 0.67 0.62 3.15 3.64 -1.39 -0.36 116.57 122.61 1f4j h LYS 477 Ca 0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1f4j h LYS 477 Cb 0.36 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1f4j h LYS 477 CO -0.28 0.44 -0.30 0.00 -2.27 0.00 0.00 179.45 177.05 1f4j h ALA 478 N 1.61 -0.83 -0.04 5.00 0.00 -0.79 -2.24 119.26 121.97 1f4j h ALA 478 Ca 0.51 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1f4j h ALA 478 Cb 0.88 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1f4j h ALA 478 CO -0.27 -0.95 0.05 0.28 0.00 0.00 0.00 179.25 178.35 1f4j h VAL 479 N -0.85 0.53 -0.46 0.00 2.07 -0.23 -0.56 116.25 116.75 1f4j h VAL 479 Ca -0.08 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1f4j h VAL 479 Cb 0.64 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1f4j h VAL 479 CO 0.14 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 178.07 1f4j h LYS 480 N 0.00 0.89 -0.04 1.57 3.64 -0.51 -1.35 116.57 120.77 1f4j h LYS 480 Ca 0.02 -0.34 -0.21 0.00 -1.27 0.00 0.00 60.65 58.85 1f4j h LYS 480 Cb 0.12 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1f4j h LYS 480 CO -0.00 0.99 -0.78 -0.91 -2.27 0.00 0.00 179.45 176.47 1f4j h ASN 481 N 0.79 0.75 -0.96 4.20 2.35 -0.75 -2.70 115.58 119.26 1f4j h ASN 481 Ca 0.12 -0.72 0.02 0.00 -0.55 0.00 0.00 56.30 55.17 1f4j h ASN 481 Cb 0.70 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 1f4j h ASN 481 CO 0.05 1.36 0.63 -0.26 -1.65 0.00 0.00 177.43 177.57 1f4j h PHE 482 N 0.21 1.20 -0.09 1.19 0.04 -1.37 -0.34 116.94 117.78 1f4j h PHE 482 Ca -0.09 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1f4j h PHE 482 Cb 1.45 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1f4j h PHE 482 CO 0.12 0.74 -0.07 1.15 -0.60 0.00 0.00 178.31 179.65 1f4j h THR 483 N 1.28 1.11 -0.02 -1.55 2.02 -1.21 -0.96 112.91 113.57 1f4j h THR 483 Ca 0.36 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1f4j h THR 483 Cb -0.11 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1f4j h THR 483 CO -0.09 0.14 -0.27 -0.33 0.37 0.00 0.00 175.52 175.34 1f4j h GLU 484 N 0.13 0.03 -0.09 6.66 4.39 -0.73 -2.36 114.58 122.61 1f4j h GLU 484 Ca 0.03 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 1f4j h GLU 484 Cb 0.21 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1f4j h GLU 484 CO 0.01 0.30 -0.80 0.28 -1.16 0.00 0.00 179.01 177.65 1f4j h VAL 485 N 0.03 1.30 -1.26 3.13 2.07 -0.73 -3.47 116.25 117.32 1f4j h VAL 485 Ca 0.00 -2.03 0.15 0.00 0.82 0.00 0.00 66.70 65.65 1f4j h VAL 485 Cb 0.50 2.16 -0.31 0.00 -1.52 0.00 0.00 31.29 32.13 1f4j h VAL 485 CO 0.04 0.63 0.68 -2.28 0.02 0.00 0.00 177.57 176.66 1f4j s HIS 486 N -3.59 -0.23 0.55 1.57 2.46 -0.86 -4.58 115.29 110.61 1f4j s HIS 486 Ca -0.11 0.52 0.23 0.00 0.47 0.00 0.00 55.06 56.18 1f4j s HIS 486 Cb 0.07 0.35 1.47 0.00 -0.13 0.00 0.00 32.58 34.34 1f4j s HIS 486 CO 0.89 -0.11 2.11 -1.00 -2.47 0.00 0.00 174.74 174.16 1f4j h PRO 487 N 4.20 0.00 0.11 2.88 0.13 -1.80 -2.23 132.00 135.28 1f4j h PRO 487 Ca -0.27 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.58 1f4j h PRO 487 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1f4j h PRO 487 CO 0.18 0.00 -1.20 -0.44 -0.23 0.00 0.00 178.00 176.30 1f4j h ASP 488 N 0.00 0.63 0.62 1.44 3.45 -1.92 -1.66 116.42 118.99 1f4j h ASP 488 Ca 0.08 -0.60 -0.03 0.00 0.43 0.00 0.00 57.03 56.91 1f4j h ASP 488 Cb 0.37 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1f4j h ASP 488 CO -0.00 1.44 -0.30 0.22 -1.57 0.00 0.00 179.24 179.03 1f4j h TYR 489 N 0.17 -0.78 -0.03 4.55 3.20 -1.70 -1.03 116.97 121.37 1f4j h TYR 489 Ca -0.15 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 1f4j h TYR 489 Cb 1.89 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 40.41 1f4j h TYR 489 CO 0.08 -0.47 0.01 0.78 -1.64 0.00 0.00 178.16 176.93 1f4j h GLY 490 N -0.88 0.05 1.02 1.82 0.00 -1.48 -3.09 103.07 100.50 1f4j h GLY 490 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1f4j h GLY 490 CO 0.14 0.02 0.53 1.48 0.00 0.00 0.00 176.54 178.72 1f4j h SER 491 N -0.09 1.07 -0.51 0.19 4.64 -1.29 -2.29 113.55 115.27 1f4j h SER 491 Ca 0.01 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1f4j h SER 491 Cb 0.14 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1f4j h SER 491 CO -0.00 0.82 0.21 -0.74 -0.87 0.00 0.00 176.83 176.25 1f4j h HIS 492 N 1.22 0.78 -0.23 4.77 6.17 -1.22 -1.07 115.15 125.57 1f4j h HIS 492 Ca 0.32 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.35 1f4j h HIS 492 Cb -0.05 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 1f4j h HIS 492 CO 0.00 0.64 0.12 0.82 0.71 0.00 0.00 177.93 180.22 1f4j h ILE 493 N 0.69 1.01 -0.46 6.26 2.04 -1.44 -1.11 117.51 124.50 1f4j h ILE 493 Ca 0.17 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1f4j h ILE 493 Cb 0.19 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1f4j h ILE 493 CO -0.01 0.05 -0.02 -0.61 0.00 0.00 0.00 178.15 177.55 1f4j h GLN 494 N 0.26 0.09 0.08 2.37 5.75 -1.12 0.36 115.11 122.89 1f4j h GLN 494 Ca 0.09 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1f4j h GLN 494 Cb 0.01 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1f4j h GLN 494 CO -0.06 0.06 -0.38 0.00 -2.65 0.00 0.00 178.83 175.80 1f4j h ALA 495 N 1.42 -0.64 -0.31 3.38 0.00 -0.52 0.13 119.26 122.72 1f4j h ALA 495 Ca 0.23 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1f4j h ALA 495 Cb 0.34 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1f4j h ALA 495 CO -0.40 -0.93 -0.01 -0.07 0.00 0.00 0.00 179.25 177.85 1f4j h LEU 496 N -0.59 -0.13 -0.54 0.00 3.38 -0.33 -1.89 115.31 115.20 1f4j h LEU 496 Ca 0.03 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1f4j h LEU 496 Cb 0.64 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1f4j h LEU 496 CO -0.25 -0.03 0.11 -0.07 0.09 0.00 0.00 178.44 178.29 1f4j h LEU 497 N 0.08 0.01 -0.99 1.67 3.38 0.26 -1.05 115.31 118.67 1f4j h LEU 497 Ca 0.15 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.43 1f4j h LEU 497 Cb 0.20 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1f4j h LEU 497 CO -0.25 0.02 0.59 0.44 0.09 0.00 0.00 178.44 179.33 1f4j h ASP 498 N 0.25 0.70 -0.52 -0.43 3.32 0.08 0.26 116.42 120.08 1f4j h ASP 498 Ca 0.28 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1f4j h ASP 498 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1f4j h ASP 498 CO -0.36 0.18 -0.02 0.11 -1.72 0.00 0.00 179.24 177.43 1f4j h LYS 499 N 0.65 0.93 -0.59 3.56 1.79 -0.99 -1.44 116.57 120.48 1f4j h LYS 499 Ca 0.61 -0.31 -0.06 0.00 -2.18 0.00 0.00 60.65 58.71 1f4j h LYS 499 Cb 1.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 1f4j h LYS 499 CO -0.44 0.96 0.13 1.88 -1.08 0.00 0.00 179.45 180.91 1f4j h TYR 500 N 0.80 1.00 0.00 -1.35 0.05 -0.27 -2.35 116.97 114.85 1f4j h TYR 500 Ca 0.14 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1f4j h TYR 500 Cb 0.55 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1f4j h TYR 500 CO 0.04 0.86 0.00 -0.91 -1.05 0.00 0.00 178.16 177.10 1f4j h ASN 501 N 0.86 0.00 0.00 3.88 2.35 -0.68 -3.52 115.58 118.47 1f4j h ASN 501 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1f4j h ASN 501 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1f4j h ASN 501 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78