#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3j s LYS 2 N 0.00 3.00 -0.02 2.12 1.02 -1.26 -4.42 119.74 120.17 1c3j s LYS 2 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.16 1c3j s LYS 2 Cb 0.00 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1c3j s LYS 2 CO 0.00 0.20 -0.18 0.42 -0.92 0.00 0.00 175.35 174.88 1c3j s ILE 3 N 0.28 2.76 0.03 2.17 1.01 -0.54 0.03 121.20 126.95 1c3j s ILE 3 Ca -0.17 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.61 1c3j s ILE 3 Cb -0.17 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1c3j s ILE 3 CO 0.08 0.52 -0.21 0.00 0.00 0.00 0.00 174.94 175.33 1c3j s ALA 4 N -0.76 1.79 -0.07 9.38 0.00 -0.64 -1.92 121.76 129.54 1c3j s ALA 4 Ca 0.12 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1c3j s ALA 4 Cb -0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1c3j s ALA 4 CO 0.02 0.41 -0.21 0.42 0.00 0.00 0.00 175.76 176.40 1c3j s ILE 5 N -0.73 1.75 0.07 0.00 1.01 -0.57 -0.29 121.20 122.44 1c3j s ILE 5 Ca 0.08 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1c3j s ILE 5 Cb -0.09 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1c3j s ILE 5 CO 0.01 0.49 -0.15 0.27 0.00 0.00 0.00 174.94 175.56 1c3j s ILE 6 N 0.19 1.18 -0.28 2.92 -4.36 -0.55 -0.92 121.20 119.38 1c3j s ILE 6 Ca -0.10 -1.24 -0.09 0.00 -0.26 0.00 0.00 60.65 58.95 1c3j s ILE 6 Cb -0.15 -1.11 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 1c3j s ILE 6 CO 0.05 -0.14 0.13 0.21 0.24 0.00 0.00 174.94 175.43 1c3j s ASN 7 N -1.58 5.45 0.54 4.36 3.84 -1.26 -1.69 114.94 124.59 1c3j s ASN 7 Ca -0.00 -0.33 0.35 0.00 0.21 0.00 0.00 52.86 53.09 1c3j s ASN 7 Cb -0.09 -1.99 1.57 0.00 -0.55 0.00 0.00 41.25 40.19 1c3j s ASN 7 CO 0.02 -0.11 2.03 -0.03 -2.79 0.00 0.00 177.10 176.22 1c3j h MET 8 N 8.31 0.00 0.00 0.43 1.85 -1.36 -3.34 114.93 120.81 1c3j h MET 8 Ca -0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 1c3j h MET 8 Cb 1.16 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.19 1c3j h MET 8 CO 0.59 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.51 1c3j n GLY 9 N -0.27 0.08 2.99 1.39 0.00 -1.26 -3.85 105.19 104.27 1c3j n GLY 9 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1c3j n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c3j s ASN 10 N -0.02 0.37 0.40 1.61 -0.87 -1.26 -4.57 114.94 110.60 1c3j s ASN 10 Ca 0.00 -0.45 -0.24 0.00 -1.57 0.00 0.00 52.86 50.60 1c3j s ASN 10 Cb 0.00 0.07 -0.09 0.00 -0.02 0.00 0.00 41.25 41.21 1c3j s ASN 10 CO 0.00 -0.23 1.08 0.21 -2.57 0.00 0.00 177.10 175.59 1c3j s ASN 11 N -1.29 6.68 -0.17 -1.22 2.47 -1.26 -4.67 114.94 115.48 1c3j s ASN 11 Ca -0.12 2.13 0.01 0.00 0.42 0.00 0.00 52.86 55.30 1c3j s ASN 11 Cb -0.09 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 1c3j s ASN 11 CO -0.01 -0.55 -0.19 -0.69 -3.72 0.00 0.00 177.10 171.94 1c3j s VAL 12 N -1.57 2.21 0.00 -5.21 1.01 -1.26 -4.42 120.40 111.16 1c3j s VAL 12 Ca 0.58 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1c3j s VAL 12 Cb -0.25 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1c3j s VAL 12 CO 0.31 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.94 1c3j n ILE 13 N 4.41 0.00 -3.55 2.22 0.13 -1.26 -4.75 119.36 116.55 1c3j n ILE 13 Ca -0.20 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.45 1c3j n ILE 13 Cb 0.51 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 39.15 1c3j n ILE 13 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1c3j n ASN 14 N -2.01 0.00 -1.81 9.51 0.23 -1.26 -4.67 115.26 115.25 1c3j n ASN 14 Ca 0.00 -0.90 -0.15 0.00 -0.53 0.00 0.00 54.58 53.00 1c3j n ASN 14 Cb 0.00 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.83 1c3j n ASN 14 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1c3j n PHE 15 N 0.00 2.04 0.08 -2.53 3.72 -1.26 -4.08 117.46 115.44 1c3j n PHE 15 Ca 0.00 -1.36 -0.10 0.00 -0.05 0.00 0.00 57.45 55.94 1c3j n PHE 15 Cb 0.00 -0.70 -0.07 0.00 -0.94 0.00 0.00 39.48 37.77 1c3j n PHE 15 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1c3j h LYS 16 N 0.79 0.18 -5.86 -1.08 3.64 -1.96 -3.46 116.57 108.81 1c3j h LYS 16 Ca 0.41 -0.25 -0.61 0.00 -1.27 0.00 0.00 60.65 58.93 1c3j h LYS 16 Cb 2.22 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 33.99 1c3j h LYS 16 CO 0.73 1.04 -0.67 0.95 -2.27 0.00 0.00 179.45 179.23 1c3j s THR 17 N -2.95 2.15 0.05 1.00 -4.23 -1.26 -5.07 115.64 105.33 1c3j s THR 17 Ca -0.02 -2.18 -0.18 0.00 -1.18 0.00 0.00 61.69 58.13 1c3j s THR 17 Cb 0.09 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 71.11 1c3j s THR 17 CO 0.84 -0.19 1.27 0.58 -0.54 0.00 0.00 174.62 176.58 1c3j h VAL 18 N 2.03 1.36 -0.24 2.29 2.07 -1.96 -2.71 116.25 119.10 1c3j h VAL 18 Ca -0.42 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.38 1c3j h VAL 18 Cb 1.25 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1c3j h VAL 18 CO 0.71 0.51 0.01 1.55 0.02 0.00 0.00 177.57 180.37 1c3j h PRO 19 N 0.12 0.35 -0.22 1.57 0.13 -1.95 -2.05 132.00 129.94 1c3j h PRO 19 Ca -0.01 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.87 1c3j h PRO 19 Cb 1.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1c3j h PRO 19 CO 0.09 0.37 -0.62 1.03 -0.23 0.00 0.00 178.00 178.64 1c3j h SER 20 N 0.34 0.92 -0.61 1.44 0.87 -1.77 -3.05 113.55 111.70 1c3j h SER 20 Ca 0.08 -0.58 -0.06 0.00 -1.23 0.00 0.00 61.79 60.00 1c3j h SER 20 Cb 0.22 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1c3j h SER 20 CO 0.00 1.34 0.15 0.28 -0.53 0.00 0.00 176.83 178.07 1c3j h SER 21 N 0.56 0.93 0.47 6.23 0.02 -1.18 -2.30 113.55 118.28 1c3j h SER 21 Ca -0.01 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 1c3j h SER 21 Cb 1.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1c3j h SER 21 CO 0.13 0.92 -0.47 1.05 -1.14 0.00 0.00 176.83 177.33 1c3j h GLU 22 N 0.89 0.00 -0.39 3.45 4.11 -1.45 -0.08 114.58 121.11 1c3j h GLU 22 Ca 0.19 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.53 1c3j h GLU 22 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1c3j h GLU 22 CO 0.00 0.47 -0.12 1.15 0.07 0.00 0.00 179.01 180.58 1c3j h THR 23 N 0.00 1.28 -0.47 -1.06 2.02 -1.39 0.20 112.91 113.49 1c3j h THR 23 Ca -0.00 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.84 1c3j h THR 23 Cb 0.83 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1c3j h THR 23 CO 0.06 0.41 -0.16 0.40 0.37 0.00 0.00 175.52 176.60 1c3j h ILE 24 N 0.58 1.27 -0.42 3.11 2.04 -1.24 0.11 117.51 122.96 1c3j h ILE 24 Ca 0.10 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 1c3j h ILE 24 Cb 0.65 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1c3j h ILE 24 CO 0.04 0.45 -0.19 1.88 0.00 0.00 0.00 178.15 180.34 1c3j h TYR 25 N 0.78 0.92 -0.07 1.37 0.05 -0.86 0.20 116.97 119.36 1c3j h TYR 25 Ca 0.11 -0.20 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1c3j h TYR 25 Cb 0.73 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1c3j h TYR 25 CO 0.05 0.93 0.04 -0.07 -1.05 0.00 0.00 178.16 178.06 1c3j h LEU 26 N 0.72 0.08 -0.75 3.88 3.38 -0.38 -1.62 115.31 120.62 1c3j h LEU 26 Ca 0.11 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1c3j h LEU 26 Cb 0.70 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1c3j h LEU 26 CO 0.05 0.13 0.42 0.15 0.09 0.00 0.00 178.44 179.28 1c3j h PHE 27 N 0.03 0.76 -0.50 1.13 3.57 -0.60 -1.54 116.94 119.80 1c3j h PHE 27 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1c3j h PHE 27 Cb 0.06 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1c3j h PHE 27 CO -0.05 0.33 0.21 -0.22 -2.23 0.00 0.00 178.31 176.35 1c3j h LYS 28 N 0.73 0.75 -0.51 1.11 3.64 -0.25 -1.26 116.57 120.78 1c3j h LYS 28 Ca 0.35 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1c3j h LYS 28 Cb 0.28 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1c3j h LYS 28 CO -0.22 0.65 -0.18 0.28 -2.27 0.00 0.00 179.45 177.72 1c3j h VAL 29 N 0.67 1.27 -0.40 2.00 2.07 -0.97 -0.00 116.25 120.88 1c3j h VAL 29 Ca 0.17 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1c3j h VAL 29 Cb 0.18 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1c3j h VAL 29 CO -0.02 0.47 0.02 0.40 0.02 0.00 0.00 177.57 178.46 1c3j h ILE 30 N 0.88 1.26 -0.38 4.57 2.04 -1.22 -2.24 117.51 122.42 1c3j h ILE 30 Ca 0.12 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1c3j h ILE 30 Cb 0.75 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1c3j h ILE 30 CO 0.06 0.33 0.19 0.28 0.00 0.00 0.00 178.15 179.02 1c3j h SER 31 N 0.53 0.29 0.19 1.72 0.02 -1.04 -0.39 113.55 114.86 1c3j h SER 31 Ca 0.12 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1c3j h SER 31 Cb 0.45 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1c3j h SER 31 CO 0.02 0.21 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 1c3j n GLU 32 N -4.92 0.13 0.04 3.45 1.02 -0.03 -0.41 120.64 119.91 1c3j n GLU 32 Ca 0.01 0.56 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1c3j n GLU 32 Cb 0.09 -1.86 0.48 0.00 -0.02 0.00 0.00 31.44 30.13 1c3j n GLU 32 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1c3j n MET 33 N -2.12 0.09 -0.97 3.49 2.81 -0.16 -4.87 117.12 115.39 1c3j n MET 33 Ca -0.00 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1c3j n MET 33 Cb 0.08 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1c3j n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c3j n GLY 34 N 0.91 1.14 3.52 3.03 0.00 0.45 -5.08 105.19 109.15 1c3j n GLY 34 Ca 0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1c3j n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c3j s LEU 35 N -0.22 2.87 -0.51 0.99 1.43 -1.21 -5.07 118.68 116.95 1c3j s LEU 35 Ca 0.00 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.54 1c3j s LEU 35 Cb 0.00 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1c3j s LEU 35 CO 0.00 0.27 1.11 0.21 0.23 0.00 0.00 176.35 178.18 1c3j s ASN 36 N -1.38 6.55 0.03 2.29 3.84 -1.26 -4.48 114.94 120.53 1c3j s ASN 36 Ca 0.16 0.27 0.01 0.00 0.21 0.00 0.00 52.86 53.50 1c3j s ASN 36 Cb -0.11 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.04 1c3j s ASN 36 CO 0.06 -1.29 -0.04 0.54 -2.79 0.00 0.00 177.10 173.58 1c3j s VAL 37 N 4.48 0.22 0.09 -5.21 0.11 -1.26 -1.47 120.40 117.36 1c3j s VAL 37 Ca 0.44 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1c3j s VAL 37 Cb -0.08 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1c3j s VAL 37 CO 0.29 -0.46 -0.14 -1.81 -3.33 0.00 0.00 175.10 169.64 1c3j s ASP 38 N -1.47 1.85 -0.14 3.54 1.01 -0.81 -5.00 116.67 115.66 1c3j s ASP 38 Ca -0.14 -0.70 -0.05 0.00 0.71 0.00 0.00 52.55 52.36 1c3j s ASP 38 Cb -0.10 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 1c3j s ASP 38 CO -0.01 -0.10 0.06 -0.63 0.21 0.00 0.00 175.17 174.70 1c3j s ILE 39 N -1.63 4.79 -0.19 0.77 1.01 -1.26 -1.51 121.20 123.18 1c3j s ILE 39 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1c3j s ILE 39 Cb -0.08 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1c3j s ILE 39 CO 0.03 0.55 -0.03 -0.63 0.00 0.00 0.00 174.94 174.85 1c3j s ILE 40 N -0.37 3.68 0.00 2.92 -1.09 -0.09 -1.68 121.20 124.57 1c3j s ILE 40 Ca 0.09 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1c3j s ILE 40 Cb -0.12 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1c3j s ILE 40 CO 0.02 0.45 0.00 -0.24 -1.23 0.00 0.00 174.94 173.93 1c3j n SER 41 N 4.21 0.00 -0.18 3.58 2.88 0.32 -4.46 113.62 119.97 1c3j n SER 41 Ca -0.18 -0.50 -0.04 0.00 -1.33 0.00 0.00 58.87 56.83 1c3j n SER 41 Cb 0.52 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.12 1c3j n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1c3j h LEU 42 N 0.00 0.88 -8.73 2.46 3.38 -1.85 -2.01 115.31 109.44 1c3j h LEU 42 Ca 0.00 -0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.47 1c3j h LEU 42 Cb 0.00 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 40.37 1c3j h LEU 42 CO 0.00 0.86 -0.68 -0.54 0.09 0.00 0.00 178.44 178.17 1c3j s LYS 43 N -5.25 1.16 0.20 1.13 1.02 -1.26 -4.58 119.74 112.17 1c3j s LYS 43 Ca -0.11 -1.55 -0.20 0.00 0.02 0.00 0.00 55.97 54.13 1c3j s LYS 43 Cb 0.15 -0.49 -0.08 0.00 -0.52 0.00 0.00 37.83 36.90 1c3j s LYS 43 CO 0.82 -0.06 0.71 -0.80 -0.92 0.00 0.00 175.35 175.10 1c3j s ASN 44 N -3.21 7.09 0.00 2.83 -0.87 -1.26 -3.99 114.94 115.52 1c3j s ASN 44 Ca 0.23 1.42 0.00 0.00 -1.57 0.00 0.00 52.86 52.94 1c3j s ASN 44 Cb 0.05 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1c3j s ASN 44 CO 0.04 0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.26 1c3j n GLY 45 N 0.91 1.50 0.27 0.66 0.00 -0.81 -4.95 105.19 102.78 1c3j n GLY 45 Ca -0.03 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.34 1c3j n GLY 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1c3j h VAL 46 N 0.49 0.45 0.00 1.61 -1.51 -1.96 -3.26 116.25 112.07 1c3j h VAL 46 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1c3j h VAL 46 Cb 0.00 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1c3j h VAL 46 CO 0.00 0.09 -0.87 -1.22 -1.23 0.00 0.00 177.57 174.34 1c3j n TYR 47 N -3.53 0.00 -4.37 5.19 4.01 -1.26 -5.08 117.16 112.12 1c3j n TYR 47 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1c3j n TYR 47 Cb 0.23 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 1c3j n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1c3j s THR 48 N -2.08 1.47 0.16 -0.72 -4.23 -1.23 -4.20 115.64 104.82 1c3j s THR 48 Ca -0.00 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1c3j s THR 48 Cb 0.04 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1c3j s THR 48 CO 0.25 -0.39 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.17 1c3j s LYS 49 N -3.75 1.57 0.36 3.99 1.02 -0.67 -1.92 119.74 120.33 1c3j s LYS 49 Ca 0.27 -1.41 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 1c3j s LYS 49 Cb 0.03 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.37 1c3j s LYS 49 CO 0.09 0.43 0.66 -1.54 -0.92 0.00 0.00 175.35 174.07 1c3j s SER 50 N -2.45 6.44 0.33 2.83 1.04 -1.26 -0.52 113.70 120.11 1c3j s SER 50 Ca 0.19 0.88 0.06 0.00 0.48 0.00 0.00 55.95 57.56 1c3j s SER 50 Cb -0.09 -2.21 0.73 0.00 0.10 0.00 0.00 66.02 64.55 1c3j s SER 50 CO 0.09 -0.32 1.84 -0.26 0.98 0.00 0.00 173.24 175.57 1c3j h PHE 51 N 1.28 0.96 0.00 5.02 0.04 -1.61 -2.06 116.94 120.58 1c3j h PHE 51 Ca -0.48 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.25 1c3j h PHE 51 Cb 1.19 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1c3j h PHE 51 CO 0.58 0.33 -0.36 0.22 -0.60 0.00 0.00 178.31 178.49 1c3j h ASP 52 N 0.79 0.00 -0.08 2.17 3.58 -1.90 -3.24 116.42 117.74 1c3j h ASP 52 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1c3j h ASP 52 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1c3j h ASP 52 CO -0.25 0.36 0.00 -0.62 -2.88 0.00 0.00 179.24 175.84 1c3j n GLU 53 N -3.62 1.88 -4.36 0.28 -0.58 -0.78 -4.92 120.64 108.54 1c3j n GLU 53 Ca -0.01 -1.29 -0.19 0.00 -0.42 0.00 0.00 57.16 55.26 1c3j n GLU 53 Cb 0.47 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.78 1c3j n GLU 53 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1c3j s VAL 54 N -1.91 1.56 -0.27 2.62 -7.23 -1.20 -4.95 120.40 109.01 1c3j s VAL 54 Ca 0.35 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1c3j s VAL 54 Cb 0.20 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1c3j s VAL 54 CO 0.31 -0.47 0.07 -0.62 -0.31 0.00 0.00 175.10 174.09 1c3j s ASP 55 N -3.35 5.10 0.39 4.85 -1.08 -1.26 -4.96 116.67 116.36 1c3j s ASP 55 Ca 0.25 -0.46 0.15 0.00 -0.52 0.00 0.00 52.55 51.98 1c3j s ASP 55 Cb 0.02 -1.90 1.02 0.00 -1.46 0.00 0.00 42.92 40.60 1c3j s ASP 55 CO 0.08 -0.11 1.82 1.62 0.52 0.00 0.00 175.17 179.10 1c3j h VAL 56 N 5.70 0.64 0.00 1.11 3.04 -1.92 0.29 116.25 125.12 1c3j h VAL 56 Ca -0.35 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1c3j h VAL 56 Cb 1.15 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1c3j h VAL 56 CO 0.60 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.83 1c3j n ASN 57 N -4.59 0.00 0.07 3.17 4.13 -1.26 -2.05 115.26 114.72 1c3j n ASN 57 Ca 0.22 -1.27 0.13 0.00 1.68 0.00 0.00 54.58 55.34 1c3j n ASN 57 Cb 0.72 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 39.43 1c3j n ASN 57 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1c3j n ASP 58 N -0.75 0.54 -4.78 6.41 10.43 0.10 -4.80 116.55 123.70 1c3j n ASP 58 Ca 0.10 0.53 -0.37 0.00 2.57 0.00 0.00 54.79 57.62 1c3j n ASP 58 Cb 0.05 -0.67 -0.06 0.00 1.84 0.00 0.00 41.12 42.28 1c3j n ASP 58 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1c3j s TYR 59 N -3.07 3.58 0.03 1.24 2.02 -0.87 -4.81 117.35 115.48 1c3j s TYR 59 Ca 0.12 0.78 0.10 0.00 -0.37 0.00 0.00 57.07 57.69 1c3j s TYR 59 Cb 0.15 -2.32 -0.13 0.00 -0.40 0.00 0.00 41.96 39.26 1c3j s TYR 59 CO 0.58 0.42 1.30 -0.44 -1.57 0.00 0.00 175.55 175.84 1c3j h ASP 60 N 5.80 0.00 -3.44 2.29 3.32 -0.71 -3.45 116.42 120.24 1c3j h ASP 60 Ca -0.46 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.23 1c3j h ASP 60 Cb 1.19 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 1c3j h ASP 60 CO 0.69 0.86 -0.75 -0.13 -1.72 0.00 0.00 179.24 178.18 1c3j s ARG 61 N -2.78 0.31 -0.29 3.56 1.81 -1.00 -4.97 118.95 115.59 1c3j s ARG 61 Ca 0.02 0.12 -0.04 0.00 -1.72 0.00 0.00 55.73 54.10 1c3j s ARG 61 Cb 0.09 -0.56 0.02 0.00 -0.45 0.00 0.00 34.95 34.05 1c3j s ARG 61 CO 0.80 -0.18 0.03 -1.17 -0.68 0.00 0.00 175.30 174.09 1c3j s LEU 62 N 1.31 3.70 -0.17 2.53 2.96 -1.26 -1.63 118.68 126.12 1c3j s LEU 62 Ca -0.06 -0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1c3j s LEU 62 Cb -0.13 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1c3j s LEU 62 CO -0.02 -0.20 0.11 -0.63 -1.32 0.00 0.00 176.35 174.29 1c3j s ILE 63 N 1.39 5.26 -0.11 6.68 1.01 0.61 -1.67 121.20 134.37 1c3j s ILE 63 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1c3j s ILE 63 Cb -0.18 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.94 1c3j s ILE 63 CO -0.00 0.49 -0.22 -0.69 0.00 0.00 0.00 174.94 174.52 1c3j s VAL 64 N 0.01 1.98 0.37 2.92 1.01 0.87 -1.48 120.40 126.08 1c3j s VAL 64 Ca 0.09 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1c3j s VAL 64 Cb -0.12 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1c3j s VAL 64 CO -0.00 0.54 0.02 0.68 0.00 0.00 0.00 175.10 176.34 1c3j s VAL 65 N 0.57 2.39 -0.10 2.92 -7.23 -0.68 -0.94 120.40 117.33 1c3j s VAL 65 Ca -0.14 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 57.93 1c3j s VAL 65 Cb -0.17 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.96 1c3j s VAL 65 CO 0.04 -0.13 0.34 0.21 -0.31 0.00 0.00 175.10 175.25 1c3j s ASN 66 N -3.73 -0.32 0.00 4.85 3.04 -1.26 -0.90 114.94 116.62 1c3j s ASN 66 Ca 0.35 0.55 0.00 0.00 0.04 0.00 0.00 52.86 53.80 1c3j s ASN 66 Cb 0.03 0.61 0.00 0.00 -1.54 0.00 0.00 41.25 40.35 1c3j s ASN 66 CO 0.19 -0.20 0.00 -1.20 -3.04 0.00 0.00 177.10 172.85 1c3j n SER 67 N 2.49 0.00 0.00 -4.21 7.64 -1.26 -4.91 113.62 113.37 1c3j n SER 67 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1c3j n SER 67 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1c3j n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1c3j n ASN 77 N -0.26 0.00 -0.18 6.43 2.85 -1.26 -4.81 115.26 118.04 1c3j n ASN 77 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1c3j n ASN 77 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 1c3j n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c3j h LEU 78 N 0.00 -0.73 -0.37 1.20 3.38 -1.98 -0.30 115.31 116.51 1c3j h LEU 78 Ca 0.00 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1c3j h LEU 78 Cb 0.00 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1c3j h LEU 78 CO 0.00 -0.24 0.23 0.00 0.09 0.00 0.00 178.44 178.52 1c3j h ALA 79 N 1.33 0.47 -0.26 1.53 0.00 -1.92 -1.27 119.26 119.14 1c3j h ALA 79 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1c3j h ALA 79 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1c3j h ALA 79 CO -0.59 -0.04 -0.04 -0.84 0.00 0.00 0.00 179.25 177.74 1c3j h ILE 80 N 0.49 1.27 -0.57 0.00 -0.00 -1.56 -2.39 117.51 114.75 1c3j h ILE 80 Ca 0.13 -1.01 -0.04 0.00 -0.00 0.00 0.00 64.86 63.95 1c3j h ILE 80 Cb -0.01 1.41 -0.02 0.00 -0.00 0.00 0.00 36.82 38.19 1c3j h ILE 80 CO -0.03 0.32 0.21 -0.07 -0.00 0.00 0.00 178.15 178.58 1c3j h LEU 81 N 0.24 0.80 -0.24 0.16 -0.00 -0.99 -2.83 115.31 112.45 1c3j h LEU 81 Ca 0.07 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1c3j h LEU 81 Cb 0.48 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1c3j h LEU 81 CO 0.02 0.77 0.06 0.28 -0.00 0.00 0.00 178.44 179.57 1c3j h SER 82 N 0.78 0.37 -0.91 -0.43 0.02 -1.23 -2.18 113.55 109.97 1c3j h SER 82 Ca 0.19 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1c3j h SER 82 Cb 0.23 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1c3j h SER 82 CO -0.01 0.50 0.54 0.00 -1.14 0.00 0.00 176.83 176.73 1c3j h ALA 83 N 0.88 1.16 -0.36 3.77 0.00 -1.44 -0.84 119.26 122.44 1c3j h ALA 83 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1c3j h ALA 83 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c3j h ALA 83 CO 0.00 0.63 0.05 1.96 0.00 0.00 0.00 179.25 181.89 1c3j h GLN 84 N 1.26 0.60 -0.98 0.00 4.20 -1.39 0.17 115.11 118.97 1c3j h GLN 84 Ca 0.33 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1c3j h GLN 84 Cb -0.04 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1c3j h GLN 84 CO -0.06 0.68 0.63 -0.22 -0.67 0.00 0.00 178.83 179.19 1c3j h LYS 85 N 0.43 1.29 -0.02 1.46 3.64 -1.17 0.40 116.57 122.61 1c3j h LYS 85 Ca 0.11 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1c3j h LYS 85 Cb 0.37 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1c3j h LYS 85 CO 0.01 0.87 0.00 0.35 -2.27 0.00 0.00 179.45 178.41 1c3j h PHE 86 N 1.33 0.04 -0.14 1.91 3.57 -0.83 -2.88 116.94 119.93 1c3j h PHE 86 Ca 0.36 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 1c3j h PHE 86 Cb -0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1c3j h PHE 86 CO -0.00 0.30 -0.30 0.52 -2.23 0.00 0.00 178.31 176.60 1c3j h MET 87 N -0.24 0.27 0.00 1.11 2.86 -0.31 -2.36 114.93 116.26 1c3j h MET 87 Ca 0.01 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1c3j h MET 87 Cb 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1c3j h MET 87 CO 0.00 0.55 -0.00 0.00 1.06 0.00 0.00 176.91 178.51 1c3j h ALA 88 N 1.46 1.00 0.00 6.32 0.00 -0.01 -2.09 119.26 125.94 1c3j h ALA 88 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c3j h ALA 88 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1c3j h ALA 88 CO 0.05 0.00 -1.32 1.63 0.00 0.00 0.00 179.25 179.61 1c3j n LYS 89 N -3.10 0.34 -2.17 0.00 5.02 -0.91 -4.81 118.16 112.53 1c3j n LYS 89 Ca -0.01 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 1c3j n LYS 89 Cb 0.19 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1c3j n LYS 89 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1c3j s TYR 90 N -3.25 3.20 -0.92 2.13 5.04 -0.79 -4.87 117.35 117.89 1c3j s TYR 90 Ca 0.01 1.20 0.17 0.00 -2.44 0.00 0.00 57.07 56.01 1c3j s TYR 90 Cb 0.15 -3.65 0.61 0.00 0.35 0.00 0.00 41.96 39.41 1c3j s TYR 90 CO 0.85 -2.03 1.52 1.63 -1.34 0.00 0.00 175.55 176.19 1c3j n LYS 91 N 2.43 3.43 -3.41 4.97 4.76 -1.26 -4.77 118.16 124.30 1c3j n LYS 91 Ca 0.06 -2.72 -0.15 0.00 -2.87 0.00 0.00 58.31 52.62 1c3j n LYS 91 Cb 0.42 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 1c3j n LYS 91 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1c3j n SER 92 N 0.72 1.44 -4.77 4.39 7.64 -1.26 -5.05 113.62 116.73 1c3j n SER 92 Ca 0.22 -2.25 -0.40 0.00 1.01 0.00 0.00 58.87 57.45 1c3j n SER 92 Cb 0.80 0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 64.51 1c3j n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1c3j s LYS 93 N -2.92 4.10 -0.20 1.43 2.20 -1.26 -4.58 119.74 118.50 1c3j s LYS 93 Ca 0.10 2.29 -0.09 0.00 -0.36 0.00 0.00 55.97 57.91 1c3j s LYS 93 Cb 0.00 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1c3j s LYS 93 CO 0.07 -0.43 0.10 0.42 -0.36 0.00 0.00 175.35 175.14 1c3j s ILE 94 N -1.19 4.98 -0.42 5.43 1.01 -0.43 -4.33 121.20 126.26 1c3j s ILE 94 Ca 0.54 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 61.08 1c3j s ILE 94 Cb -0.41 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1c3j s ILE 94 CO 0.54 0.42 0.32 -0.31 0.00 0.00 0.00 174.94 175.91 1c3j s TYR 95 N 0.63 3.24 -0.24 3.97 1.51 -0.67 -0.62 117.35 125.16 1c3j s TYR 95 Ca 0.05 -0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 55.40 1c3j s TYR 95 Cb -0.13 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 1c3j s TYR 95 CO 0.01 -0.62 0.15 -0.47 -1.11 0.00 0.00 175.55 173.51 1c3j s TYR 96 N 1.70 3.26 -0.53 2.71 5.04 0.31 -0.09 117.35 129.76 1c3j s TYR 96 Ca 0.05 0.12 -0.23 0.00 -2.44 0.00 0.00 57.07 54.58 1c3j s TYR 96 Cb -0.19 -2.27 0.04 0.00 0.35 0.00 0.00 41.96 39.89 1c3j s TYR 96 CO 0.10 -0.02 0.84 -0.51 -1.34 0.00 0.00 175.55 174.63 1c3j s LEU 97 N 1.19 4.34 -0.71 6.97 1.43 -0.12 -0.39 118.68 131.41 1c3j s LEU 97 Ca 0.07 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1c3j s LEU 97 Cb -0.14 -2.74 0.10 0.00 0.03 0.00 0.00 46.19 43.43 1c3j s LEU 97 CO 0.05 -1.11 0.93 0.12 0.23 0.00 0.00 176.35 176.58 1c3j s PHE 98 N 3.54 2.88 -0.35 0.29 5.36 0.29 -4.55 117.98 125.43 1c3j s PHE 98 Ca 0.26 -0.88 0.09 0.00 -0.96 0.00 0.00 56.93 55.44 1c3j s PHE 98 Cb -0.14 -4.21 -0.10 0.00 -0.34 0.00 0.00 43.02 38.23 1c3j s PHE 98 CO 0.18 -1.51 0.35 0.25 -1.46 0.00 0.00 175.22 173.02 1c3j n THR 99 N 5.69 0.00 -3.69 0.12 -2.24 -1.26 -1.43 114.28 111.47 1c3j n THR 99 Ca 0.01 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 1c3j n THR 99 Cb 0.45 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 1c3j n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1c3j s ASP 100 N -2.02 0.85 0.54 3.42 -1.08 -1.26 -4.98 116.67 112.13 1c3j s ASP 100 Ca 0.02 0.13 0.30 0.00 -0.52 0.00 0.00 52.55 52.48 1c3j s ASP 100 Cb 0.07 -0.04 1.46 0.00 -1.46 0.00 0.00 42.92 42.95 1c3j s ASP 100 CO 0.36 -0.23 1.92 -0.29 0.52 0.00 0.00 175.17 177.46 1c3j h ILE 101 N 6.39 0.60 -0.02 4.11 6.09 -1.98 0.11 117.51 132.81 1c3j h ILE 101 Ca -0.19 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1c3j h ILE 101 Cb 1.12 0.61 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1c3j h ILE 101 CO 0.21 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.83 1c3j n ARG 102 N -4.28 1.22 -3.18 2.19 1.74 -1.26 -4.31 116.66 108.79 1c3j n ARG 102 Ca 0.16 -0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 56.67 1c3j n ARG 102 Cb 0.85 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 1c3j n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1c3j n LEU 103 N -0.57 2.63 -4.81 0.55 4.77 0.40 -5.10 117.00 114.86 1c3j n LEU 103 Ca 0.20 -5.27 -0.30 0.00 -0.03 0.00 0.00 56.01 50.60 1c3j n LEU 103 Cb 0.18 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1c3j n LEU 103 CO 0.16 2.21 0.71 -2.16 -1.33 0.00 0.00 177.39 176.98 1c3j s PRO 104 N -2.52 2.44 0.52 3.23 0.04 -1.26 -4.74 135.00 132.72 1c3j s PRO 104 Ca 0.42 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1c3j s PRO 104 Cb 0.24 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 1c3j s PRO 104 CO -0.09 -1.40 1.38 0.34 0.04 0.00 0.00 177.00 177.28 1c3j n PHE 105 N -3.30 2.43 -3.53 0.56 7.35 -1.26 -5.00 117.46 114.71 1c3j n PHE 105 Ca 0.07 0.43 -0.15 0.00 -0.76 0.00 0.00 57.45 57.04 1c3j n PHE 105 Cb 0.55 -2.39 -0.05 0.00 0.35 0.00 0.00 39.48 37.94 1c3j n PHE 105 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1c3j s SER 106 N -0.80 -0.57 -0.31 -2.13 0.15 -1.26 -4.90 113.70 103.88 1c3j s SER 106 Ca 0.69 0.57 -0.16 0.00 0.70 0.00 0.00 55.95 57.75 1c3j s SER 106 Cb -0.42 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1c3j s SER 106 CO 0.51 -0.57 0.41 -1.10 1.20 0.00 0.00 173.24 173.70 1c3j s GLN 107 N -1.39 3.77 0.00 5.44 -1.52 -1.26 -5.15 119.66 119.55 1c3j s GLN 107 Ca -0.07 -0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.20 1c3j s GLN 107 Cb -0.00 -3.74 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 1c3j s GLN 107 CO 0.06 -0.45 0.00 -1.13 -0.25 0.00 0.00 175.29 173.51 1c3j n SER 108 N 5.47 0.00 0.00 5.90 3.41 -1.26 -5.18 113.62 121.95 1c3j n SER 108 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1c3j n SER 108 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1c3j n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c3j n ALA 118 N -3.00 0.00 -0.56 7.33 0.00 -1.26 -5.23 120.51 117.79 1c3j n ALA 118 Ca 0.00 0.00 0.46 0.00 0.00 0.00 0.00 53.44 53.90 1c3j n ALA 118 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.23 1c3j n ALA 118 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1c3j h TYR 119 N 0.00 0.07 -0.00 0.00 -0.00 -2.12 0.23 116.97 115.15 1c3j h TYR 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1c3j h TYR 119 Cb 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 36.76 1c3j h TYR 119 CO 0.00 -0.02 -0.17 1.28 -0.00 0.00 0.00 178.16 179.25 1c3j n LEU 120 N -4.11 0.43 -4.34 2.82 4.77 -1.26 -4.92 117.00 110.39 1c3j n LEU 120 Ca 0.38 0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 1c3j n LEU 120 Cb 1.71 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 42.41 1c3j n LEU 120 CO 0.40 0.09 -0.56 -0.31 -1.33 0.00 0.00 177.39 175.68 1c3j s TYR 121 N -2.65 2.37 -0.08 -1.77 2.02 0.82 -5.12 117.35 112.94 1c3j s TYR 121 Ca 0.23 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 1c3j s TYR 121 Cb 0.19 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1c3j s TYR 121 CO 0.52 0.04 -0.14 0.95 -1.57 0.00 0.00 175.55 175.35 1c3j s THR 122 N -0.69 3.04 0.15 -0.71 -4.23 -1.26 -5.03 115.64 106.90 1c3j s THR 122 Ca 0.11 -0.71 0.29 0.00 -1.18 0.00 0.00 61.69 60.20 1c3j s THR 122 Cb -0.10 -2.22 0.32 0.00 1.34 0.00 0.00 72.50 71.85 1c3j s THR 122 CO 0.00 0.57 1.94 -0.33 -0.54 0.00 0.00 174.62 176.26 1c3j h GLU 123 N 5.84 0.00 0.00 3.99 5.08 -1.99 -1.51 114.58 126.00 1c3j h GLU 123 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1c3j h GLU 123 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1c3j h GLU 123 CO 0.52 0.10 0.00 -1.91 -1.00 0.00 0.00 179.01 176.72 1c3j n GLU 124 N -3.25 0.17 -0.01 2.33 2.13 -1.26 0.16 120.64 120.91 1c3j n GLU 124 Ca 0.00 0.47 0.11 0.00 0.66 0.00 0.00 57.16 58.40 1c3j n GLU 124 Cb 0.35 -1.88 -0.16 0.00 0.27 0.00 0.00 31.44 30.02 1c3j n GLU 124 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1c3j n GLU 125 N -2.22 0.55 0.00 5.31 2.13 -0.60 -4.58 120.64 121.24 1c3j n GLU 125 Ca 0.01 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1c3j n GLU 125 Cb 0.18 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1c3j n GLU 125 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1c3j n LEU 126 N -2.11 0.00 -4.65 4.31 4.77 -0.17 -4.25 117.00 114.90 1c3j n LEU 126 Ca -0.03 -0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 1c3j n LEU 126 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1c3j n LEU 126 CO 0.45 0.00 1.02 -0.22 -1.33 0.00 0.00 177.39 177.30 1c3j s LEU 127 N -2.29 4.07 -0.27 2.23 2.96 0.42 -4.76 118.68 121.04 1c3j s LEU 127 Ca 0.00 1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 55.11 1c3j s LEU 127 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1c3j s LEU 127 CO 0.00 -0.80 0.68 -0.63 -1.32 0.00 0.00 176.35 174.28 1c3j s ILE 128 N 3.56 4.92 -1.36 6.68 1.01 -1.26 -4.72 121.20 130.02 1c3j s ILE 128 Ca 0.50 1.13 0.17 0.00 0.00 0.00 0.00 60.65 62.45 1c3j s ILE 128 Cb -0.17 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1c3j s ILE 128 CO 0.13 -0.08 0.84 0.29 0.00 0.00 0.00 174.94 176.12 1c3j n LYS 129 N 5.88 1.64 -1.82 2.79 5.02 -1.26 -4.92 118.16 125.49 1c3j n LYS 129 Ca 0.01 -0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 55.32 1c3j n LYS 129 Cb 0.49 -1.29 0.04 0.00 -0.02 0.00 0.00 35.03 34.25 1c3j n LYS 129 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c3j s SER 130 N -2.10 5.17 0.58 4.39 0.01 -1.26 -4.86 113.70 115.63 1c3j s SER 130 Ca 0.12 2.04 -0.17 0.00 1.31 0.00 0.00 55.95 59.25 1c3j s SER 130 Cb 0.13 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1c3j s SER 130 CO 0.48 -1.59 1.08 -2.16 0.41 0.00 0.00 173.24 171.46 1c3j s PRO 131 N -3.96 3.27 -0.07 12.44 0.04 -1.26 -4.56 135.00 140.89 1c3j s PRO 131 Ca 0.68 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1c3j s PRO 131 Cb -0.21 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1c3j s PRO 131 CO 0.39 -0.87 -0.15 0.42 0.04 0.00 0.00 177.00 176.83 1c3j s ILE 132 N -2.22 1.37 -0.26 0.56 1.01 -0.17 -1.32 121.20 120.17 1c3j s ILE 132 Ca 0.67 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1c3j s ILE 132 Cb -0.19 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1c3j s ILE 132 CO 0.33 0.41 0.07 -0.75 0.00 0.00 0.00 174.94 175.00 1c3j s LYS 133 N 0.53 3.51 -0.30 2.79 2.20 0.21 -1.08 119.74 127.60 1c3j s LYS 133 Ca -0.15 -0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 54.72 1c3j s LYS 133 Cb -0.16 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1c3j s LYS 133 CO 0.05 -0.26 0.48 0.08 -0.36 0.00 0.00 175.35 175.34 1c3j s VAL 134 N 1.59 5.08 -0.49 4.02 1.01 0.75 -0.53 120.40 131.83 1c3j s VAL 134 Ca 0.06 0.58 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 1c3j s VAL 134 Cb -0.16 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1c3j s VAL 134 CO 0.03 -0.02 0.49 -0.63 0.00 0.00 0.00 175.10 174.97 1c3j s ILE 135 N 2.28 5.09 0.01 2.22 1.01 0.48 -1.29 121.20 131.01 1c3j s ILE 135 Ca 0.19 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 1c3j s ILE 135 Cb -0.16 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1c3j s ILE 135 CO 0.11 -0.67 0.70 -0.55 0.00 0.00 0.00 174.94 174.53 1c3j s SER 136 N 2.62 7.10 0.39 3.58 0.15 0.16 -0.55 113.70 127.16 1c3j s SER 136 Ca 0.08 1.31 0.21 0.00 0.70 0.00 0.00 55.95 58.26 1c3j s SER 136 Cb -0.22 -2.42 0.58 0.00 -1.71 0.00 0.00 66.02 62.25 1c3j s SER 136 CO 0.09 0.03 1.68 -0.61 1.20 0.00 0.00 173.24 175.63 1c3j h GLN 137 N 5.79 0.00 -6.33 5.44 4.15 -1.38 -1.11 115.11 121.67 1c3j h GLN 137 Ca -0.44 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.42 1c3j h GLN 137 Cb 1.20 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 1c3j h GLN 137 CO 0.71 0.28 -0.01 0.20 -1.93 0.00 0.00 178.83 178.08 1c3j s GLY 138 N -4.33 2.63 0.52 2.39 0.00 -1.26 -4.43 107.32 102.83 1c3j s GLY 138 Ca 0.02 0.03 0.30 0.00 0.00 0.00 0.00 44.72 45.08 1c3j s GLY 138 CO 0.67 0.42 1.89 0.16 0.00 0.00 0.00 173.10 176.24 1c3j h ILE 139 N 3.21 0.07 -2.85 0.90 3.07 -1.71 -3.41 117.51 116.79 1c3j h ILE 139 Ca -0.49 -0.69 -0.65 0.00 1.55 0.00 0.00 64.86 64.58 1c3j h ILE 139 Cb 1.20 1.64 -0.16 0.00 -0.27 0.00 0.00 36.82 39.23 1c3j h ILE 139 CO 0.64 0.03 0.38 0.21 -1.05 0.00 0.00 178.15 178.37 1c3j s ASN 140 N -5.85 6.20 0.41 2.16 3.84 -1.26 -4.89 114.94 115.55 1c3j s ASN 140 Ca 0.02 -1.01 0.29 0.00 0.21 0.00 0.00 52.86 52.37 1c3j s ASN 140 Cb 0.08 -2.38 1.16 0.00 -0.55 0.00 0.00 41.25 39.57 1c3j s ASN 140 CO 0.58 -1.27 1.85 -0.07 -2.79 0.00 0.00 177.10 175.40 1c3j h LEU 141 N 10.78 0.00 -0.79 3.21 3.38 -2.00 -2.74 115.31 127.15 1c3j h LEU 141 Ca -0.28 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1c3j h LEU 141 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1c3j h LEU 141 CO 1.13 0.00 -0.46 0.44 0.09 0.00 0.00 178.44 179.64 1c3j h ASP 142 N 0.00 0.35 -0.31 -0.43 3.32 -1.97 0.66 116.42 118.05 1c3j h ASP 142 Ca 0.00 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1c3j h ASP 142 Cb 0.46 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1c3j h ASP 142 CO 0.00 0.76 -0.11 0.40 -1.72 0.00 0.00 179.24 178.57 1c3j h ILE 143 N 0.27 1.29 -0.78 0.35 2.04 -1.91 -0.29 117.51 118.48 1c3j h ILE 143 Ca 0.02 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1c3j h ILE 143 Cb 0.92 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1c3j h ILE 143 CO 0.08 0.38 0.42 0.00 0.00 0.00 0.00 178.15 179.03 1c3j h ALA 144 N 0.78 1.00 -0.31 1.87 0.00 -1.47 -1.14 119.26 119.98 1c3j h ALA 144 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1c3j h ALA 144 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1c3j h ALA 144 CO 0.04 0.52 0.00 -0.22 0.00 0.00 0.00 179.25 179.59 1c3j h LYS 145 N 1.08 0.55 -0.64 0.00 3.64 -0.69 -2.51 116.57 118.01 1c3j h LYS 145 Ca 0.27 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1c3j h LYS 145 Cb 0.05 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1c3j h LYS 145 CO -0.04 0.69 0.43 0.00 -2.27 0.00 0.00 179.45 178.25 1c3j h ALA 146 N 0.85 1.57 0.00 5.00 0.00 -0.77 -1.53 119.26 124.38 1c3j h ALA 146 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1c3j h ALA 146 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1c3j h ALA 146 CO 0.02 0.39 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 1c3j h ALA 147 N 1.61 1.05 -0.60 0.00 0.00 -0.99 -3.10 119.26 117.23 1c3j h ALA 147 Ca 0.24 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1c3j h ALA 147 Cb -0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 1c3j h ALA 147 CO -0.06 0.41 0.17 0.72 0.00 0.00 0.00 179.25 180.49 1c3j n HIS 148 N -3.56 2.00 -0.30 0.00 -0.00 -0.61 -4.72 115.22 108.02 1c3j n HIS 148 Ca -0.00 -1.18 0.11 0.00 -0.00 0.00 0.00 57.72 56.65 1c3j n HIS 148 Cb 0.46 -0.59 0.34 0.00 -0.00 0.00 0.00 29.99 30.20 1c3j n HIS 148 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1c3j h LYS 149 N 2.35 0.75 0.00 -0.41 3.64 -1.38 -2.38 116.57 119.14 1c3j h LYS 149 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1c3j h LYS 149 Cb 2.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1c3j h LYS 149 CO 0.59 0.50 -0.16 1.63 -2.27 0.00 0.00 179.45 179.74 1c3j n LYS 150 N -4.60 0.08 -2.11 1.90 5.02 -1.26 -4.86 118.16 112.33 1c3j n LYS 150 Ca 0.19 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 1c3j n LYS 150 Cb 0.46 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1c3j n LYS 150 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c3j s VAL 151 N -3.03 3.74 0.16 -0.18 1.01 -0.90 -4.88 120.40 116.32 1c3j s VAL 151 Ca 0.12 0.88 0.18 0.00 0.00 0.00 0.00 61.98 63.16 1c3j s VAL 151 Cb 0.17 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 33.05 1c3j s VAL 151 CO 0.59 -0.14 1.72 0.44 0.00 0.00 0.00 175.10 177.71 1c3j h ASP 152 N 9.68 0.00 -3.92 3.32 3.32 -1.89 -3.47 116.42 123.46 1c3j h ASP 152 Ca -0.35 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.19 1c3j h ASP 152 Cb 1.16 0.00 0.21 0.00 0.22 0.00 0.00 39.33 40.91 1c3j h ASP 152 CO 0.97 0.38 0.02 0.59 -1.72 0.00 0.00 179.24 179.48 1c3j n ASN 153 N -3.53 -0.44 -4.73 6.45 4.13 -1.26 -4.92 115.26 110.96 1c3j n ASN 153 Ca -0.00 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.14 1c3j n ASN 153 Cb 0.52 -1.39 -0.03 0.00 -1.54 0.00 0.00 39.78 37.34 1c3j n ASN 153 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1c3j s VAL 154 N -2.55 3.48 -0.06 2.41 1.01 -1.26 -4.94 120.40 118.48 1c3j s VAL 154 Ca 0.65 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.73 1c3j s VAL 154 Cb -0.23 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1c3j s VAL 154 CO 0.61 0.14 0.17 -0.51 0.00 0.00 0.00 175.10 175.51 1c3j s ILE 155 N 0.48 -0.01 0.19 2.22 2.07 -1.26 -1.00 121.20 123.89 1c3j s ILE 155 Ca 0.58 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.92 1c3j s ILE 155 Cb -0.34 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 1c3j s ILE 155 CO 0.34 0.01 -0.14 -1.83 -1.91 0.00 0.00 174.94 171.41 1c3j s GLU 156 N 0.25 1.27 0.03 3.50 -1.05 -0.24 -4.97 118.70 117.50 1c3j s GLU 156 Ca -0.01 -1.54 0.05 0.00 -0.15 0.00 0.00 54.97 53.32 1c3j s GLU 156 Cb -0.03 -1.06 -0.02 0.00 -0.44 0.00 0.00 34.13 32.59 1c3j s GLU 156 CO -0.01 0.18 -0.15 -0.06 0.95 0.00 0.00 175.26 176.17 1c3j s PHE 157 N -2.91 1.33 -0.09 4.83 0.40 -1.26 -0.18 117.98 120.09 1c3j s PHE 157 Ca 0.21 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 56.03 1c3j s PHE 157 Cb -0.01 -0.80 0.04 0.00 0.51 0.00 0.00 43.02 42.76 1c3j s PHE 157 CO 0.06 0.03 0.43 -2.00 0.70 0.00 0.00 175.22 174.44 1c3j s GLU 158 N -0.98 0.65 -0.03 0.44 2.12 -0.41 -4.95 118.70 115.54 1c3j s GLU 158 Ca 0.03 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 1c3j s GLU 158 Cb -0.07 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1c3j s GLU 158 CO 0.01 -0.15 0.44 -0.47 -0.54 0.00 0.00 175.26 174.56 1c3j s TYR 159 N -0.57 3.66 -0.19 5.30 5.04 -1.26 0.40 117.35 129.73 1c3j s TYR 159 Ca -0.07 0.98 -0.09 0.00 -2.44 0.00 0.00 57.07 55.45 1c3j s TYR 159 Cb -0.03 -2.40 0.07 0.00 0.35 0.00 0.00 41.96 39.95 1c3j s TYR 159 CO 0.03 0.47 0.44 0.12 -1.34 0.00 0.00 175.55 175.27 1c3j s PHE 160 N -0.48 -0.71 -1.20 4.97 5.36 -0.42 -4.89 117.98 120.62 1c3j s PHE 160 Ca 0.25 1.44 -0.19 0.00 -0.96 0.00 0.00 56.93 57.47 1c3j s PHE 160 Cb -0.16 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1c3j s PHE 160 CO 0.13 -0.40 1.94 -0.35 -1.46 0.00 0.00 175.22 175.07 1c3j n PRO 161 N 4.62 2.38 -0.12 10.12 -0.04 -1.26 -4.04 135.00 146.65 1c3j n PRO 161 Ca -0.19 -2.62 0.05 0.00 -0.04 0.00 0.00 63.50 60.70 1c3j n PRO 161 Cb 0.54 -3.39 0.37 0.00 -0.04 0.00 0.00 33.50 30.98 1c3j n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1c3j h ILE 162 N 5.11 1.06 0.00 0.52 2.04 -1.88 -3.01 117.51 121.35 1c3j h ILE 162 Ca 0.42 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1c3j h ILE 162 Cb 0.79 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1c3j h ILE 162 CO 1.61 0.13 0.00 1.05 0.00 0.00 0.00 178.15 180.94 1c3j h GLU 163 N 0.70 0.00 0.00 2.37 9.09 -1.88 -1.98 114.58 122.87 1c3j h GLU 163 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 1c3j h GLU 163 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1c3j h GLU 163 CO -0.07 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.03 1c3j n GLN 164 N -2.31 0.29 -0.33 1.06 6.02 -1.14 -3.72 117.38 117.26 1c3j n GLN 164 Ca -0.01 0.10 0.18 0.00 -0.01 0.00 0.00 57.00 57.27 1c3j n GLN 164 Cb 0.06 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.25 1c3j n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1c3j h TYR 165 N 0.00 0.84 -0.22 1.08 -0.00 -1.61 -1.65 116.97 115.41 1c3j h TYR 165 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 1c3j h TYR 165 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 36.62 1c3j h TYR 165 CO 0.00 0.12 0.14 -0.22 -0.00 0.00 0.00 178.16 178.20 1c3j h LYS 166 N 0.54 0.29 0.00 0.10 3.64 -1.86 -2.73 116.57 116.56 1c3j h LYS 166 Ca 0.59 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1c3j h LYS 166 Cb 1.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1c3j h LYS 166 CO -0.34 0.22 0.00 -0.84 -2.27 0.00 0.00 179.45 176.22 1c3j h ILE 167 N 0.28 0.00 -0.01 2.00 3.07 -1.59 -2.97 117.51 118.29 1c3j h ILE 167 Ca 0.08 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1c3j h ILE 167 Cb -0.00 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 1c3j h ILE 167 CO -0.02 0.00 -0.26 1.41 -1.05 0.00 0.00 178.15 178.24 1c3j n HIS 168 N -2.86 0.00 -1.84 0.16 8.25 -1.03 -4.85 115.22 113.05 1c3j n HIS 168 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1c3j n HIS 168 Cb 0.36 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.44 1c3j n HIS 168 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1c3j s MET 169 N -2.38 3.31 0.38 -0.41 1.75 -1.05 -4.89 119.30 116.01 1c3j s MET 169 Ca 0.25 2.21 0.09 0.00 -1.25 0.00 0.00 55.69 56.99 1c3j s MET 169 Cb 0.19 -2.35 0.84 0.00 2.84 0.00 0.00 34.83 36.36 1c3j s MET 169 CO 0.49 -1.05 1.95 -0.91 -0.65 0.00 0.00 175.02 174.85 1c3j h ASN 170 N 1.68 0.57 -0.62 1.11 -0.26 -1.92 -2.61 115.58 113.54 1c3j h ASN 170 Ca -0.51 0.01 -0.22 0.00 -0.56 0.00 0.00 56.30 55.03 1c3j h ASN 170 Cb 1.29 -0.11 -0.13 0.00 -1.06 0.00 0.00 38.32 38.31 1c3j h ASN 170 CO 0.58 0.35 0.28 -0.90 -1.06 0.00 0.00 177.43 176.68 1c3j n ASP 171 N -4.49 4.05 -4.76 5.81 5.68 -1.26 -4.98 116.55 116.59 1c3j n ASP 171 Ca 0.12 -2.99 -0.39 0.00 -0.50 0.00 0.00 54.79 51.02 1c3j n ASP 171 Cb 0.31 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.54 1c3j n ASP 171 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1c3j s PHE 172 N -2.44 3.65 -0.14 2.11 2.19 -0.99 -5.06 117.98 117.30 1c3j s PHE 172 Ca 0.43 1.76 -0.19 0.00 0.33 0.00 0.00 56.93 59.26 1c3j s PHE 172 Cb 0.34 -3.12 0.05 0.00 -1.31 0.00 0.00 43.02 38.98 1c3j s PHE 172 CO 0.10 -0.19 0.49 1.14 1.83 0.00 0.00 175.22 178.60 1c3j s GLN 173 N -1.64 0.66 0.62 10.12 -2.07 -1.26 -5.07 119.66 121.02 1c3j s GLN 173 Ca 0.47 0.50 -0.17 0.00 -1.82 0.00 0.00 55.36 54.33 1c3j s GLN 173 Cb -0.27 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.95 1c3j s GLN 173 CO 0.34 -0.12 1.17 -0.51 -1.32 0.00 0.00 175.29 174.85 1c3j s LEU 174 N -0.18 3.56 0.42 2.60 1.43 -1.26 -5.00 118.68 120.24 1c3j s LEU 174 Ca -0.04 2.26 -0.23 0.00 -1.03 0.00 0.00 54.13 55.09 1c3j s LEU 174 Cb -0.03 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.52 1c3j s LEU 174 CO 0.02 -1.64 1.06 -0.44 0.23 0.00 0.00 176.35 175.59 1c3j s SER 175 N -1.92 6.62 0.57 2.29 0.01 -0.47 -5.05 113.70 115.75 1c3j s SER 175 Ca 0.74 2.06 -0.04 0.00 1.31 0.00 0.00 55.95 60.02 1c3j s SER 175 Cb -0.27 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.40 1c3j s SER 175 CO 0.36 -0.59 0.85 -0.54 0.41 0.00 0.00 173.24 173.73 1c3j s LYS 176 N -2.62 2.80 0.30 12.44 3.01 -1.26 -4.63 119.74 129.78 1c3j s LYS 176 Ca 0.60 -0.26 -0.30 0.00 -1.01 0.00 0.00 55.97 55.00 1c3j s LYS 176 Cb -0.22 -2.35 -0.12 0.00 -1.01 0.00 0.00 37.83 34.12 1c3j s LYS 176 CO 0.27 -0.68 1.47 -2.30 0.51 0.00 0.00 175.35 174.63 1c3j n PRO 177 N -2.48 2.42 -4.10 -1.68 -0.02 -1.26 -4.71 135.00 123.17 1c3j n PRO 177 Ca 0.05 0.86 -0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1c3j n PRO 177 Cb 0.58 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 1c3j n PRO 177 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1c3j s THR 178 N -0.40 0.64 0.32 3.45 -4.23 -1.26 -5.12 115.64 109.04 1c3j s THR 178 Ca 0.62 -1.03 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 1c3j s THR 178 Cb -0.55 -0.67 -0.12 0.00 1.34 0.00 0.00 72.50 72.50 1c3j s THR 178 CO 0.54 -0.29 1.44 0.29 -0.54 0.00 0.00 174.62 176.06 1c3j n LYS 179 N 1.59 2.40 -3.28 3.99 5.02 -1.26 -4.95 118.16 121.68 1c3j n LYS 179 Ca -0.21 0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 56.53 1c3j n LYS 179 Cb 0.55 -2.54 -0.07 0.00 -0.02 0.00 0.00 35.03 32.95 1c3j n LYS 179 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1c3j s LYS 180 N -1.29 4.14 0.00 1.97 -0.14 -1.26 -4.74 119.74 118.42 1c3j s LYS 180 Ca 0.59 0.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.53 1c3j s LYS 180 Cb -0.54 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.02 1c3j s LYS 180 CO 0.57 -0.19 0.41 0.25 -0.76 0.00 0.00 175.35 175.62 1c3j n THR 181 N 4.72 0.00 -4.09 2.17 -2.24 -0.68 -5.04 114.28 109.12 1c3j n THR 181 Ca -0.05 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1c3j n THR 181 Cb 0.50 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 1c3j n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1c3j s LEU 182 N -0.16 2.45 -0.16 3.22 1.43 -1.13 -5.04 118.68 119.30 1c3j s LEU 182 Ca 0.00 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.06 1c3j s LEU 182 Cb 0.00 0.12 -0.08 0.00 0.03 0.00 0.00 46.19 46.27 1c3j s LEU 182 CO 0.00 -0.52 -0.05 0.44 0.23 0.00 0.00 176.35 176.45 1c3j h ASP 183 N 3.38 0.00 -4.15 2.29 3.32 -1.48 -2.20 116.42 117.58 1c3j h ASP 183 Ca -0.34 -0.15 -0.42 0.00 0.02 0.00 0.00 57.03 56.13 1c3j h ASP 183 Cb 1.16 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 1c3j h ASP 183 CO 0.61 0.97 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.63 1c3j s VAL 184 N -2.26 0.88 0.04 -1.35 1.01 -1.12 -1.33 120.40 116.26 1c3j s VAL 184 Ca -0.19 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1c3j s VAL 184 Cb 0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1c3j s VAL 184 CO 0.33 0.19 -0.11 -0.51 0.00 0.00 0.00 175.10 175.00 1c3j s ILE 185 N -0.36 0.87 -0.09 2.22 2.07 -0.72 -2.32 121.20 122.87 1c3j s ILE 185 Ca 0.03 -1.01 -0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1c3j s ILE 185 Cb -0.05 -0.84 0.04 0.00 0.13 0.00 0.00 42.46 41.75 1c3j s ILE 185 CO -0.00 -0.15 0.19 -0.47 -1.91 0.00 0.00 174.94 172.61 1c3j s TYR 186 N -1.02 -0.25 -0.10 3.50 5.04 -0.79 -2.39 117.35 121.34 1c3j s TYR 186 Ca -0.03 0.65 0.02 0.00 -2.44 0.00 0.00 57.07 55.28 1c3j s TYR 186 Cb -0.08 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 1c3j s TYR 186 CO 0.01 -0.22 -0.18 0.20 -1.34 0.00 0.00 175.55 174.02 1c3j s GLY 187 N 1.42 1.45 0.00 8.97 0.00 -1.26 -1.10 107.32 116.80 1c3j s GLY 187 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1c3j s GLY 187 CO -0.07 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1c3j n GLY 188 N 3.31 -1.55 3.90 0.20 0.00 0.54 -4.95 105.19 106.65 1c3j n GLY 188 Ca -0.18 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1c3j n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c3j s SER 189 N -3.00 4.78 0.52 1.61 1.04 -1.26 -2.45 113.70 114.94 1c3j s SER 189 Ca 0.00 -1.06 0.32 0.00 0.48 0.00 0.00 55.95 55.68 1c3j s SER 189 Cb 0.00 0.09 1.19 0.00 0.10 0.00 0.00 66.02 67.40 1c3j s SER 189 CO 0.00 -0.98 1.91 0.15 0.98 0.00 0.00 173.24 175.30 1c3j h PHE 190 N 0.80 0.00 -6.43 5.02 3.57 -1.95 -3.45 116.94 114.49 1c3j h PHE 190 Ca -0.38 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.63 1c3j h PHE 190 Cb 1.29 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 1c3j h PHE 190 CO 0.77 0.00 -0.80 0.54 -2.23 0.00 0.00 178.31 176.59 1c3j n ARG 191 N -3.05 -4.56 -1.95 1.11 1.74 -1.26 -1.76 116.66 106.93 1c3j n ARG 191 Ca 0.01 0.51 -0.17 0.00 -0.77 0.00 0.00 57.85 57.44 1c3j n ARG 191 Cb 0.34 -5.25 -0.04 0.00 -1.02 0.00 0.00 32.46 26.49 1c3j n ARG 191 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1c3j n SER 192 N -2.82 -4.78 0.00 0.55 7.64 -1.26 -1.41 113.62 111.54 1c3j n SER 192 Ca -0.02 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1c3j n SER 192 Cb 0.55 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1c3j n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c3j n GLY 193 N -0.61 0.65 0.22 0.23 0.00 -0.72 -4.91 105.19 100.04 1c3j n GLY 193 Ca -0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1c3j n GLY 193 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1c3j h GLN 194 N 1.61 0.00 0.00 1.61 1.08 -1.38 -2.70 115.11 115.33 1c3j h GLN 194 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1c3j h GLN 194 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1c3j h GLN 194 CO 0.00 0.00 -0.17 -2.13 -0.95 0.00 0.00 178.83 175.58 1c3j n ARG 195 N -2.56 0.93 -0.25 1.46 0.63 -1.26 -4.64 116.66 110.97 1c3j n ARG 195 Ca -0.01 -1.71 -0.00 0.00 -0.92 0.00 0.00 57.85 55.20 1c3j n ARG 195 Cb 0.09 -1.00 0.12 0.00 0.45 0.00 0.00 32.46 32.11 1c3j n ARG 195 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1c3j h GLU 196 N 0.00 0.69 -0.81 -0.14 4.81 -1.78 -1.04 114.58 116.31 1c3j h GLU 196 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1c3j h GLU 196 Cb 1.08 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 1c3j h GLU 196 CO 0.00 0.46 0.53 1.03 -0.73 0.00 0.00 179.01 180.30 1c3j h SER 197 N 0.71 0.92 -0.29 1.04 0.87 -1.90 -1.04 113.55 113.86 1c3j h SER 197 Ca 0.33 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.68 1c3j h SER 197 Cb 0.23 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1c3j h SER 197 CO -0.20 0.66 -0.53 0.11 -0.53 0.00 0.00 176.83 176.34 1c3j h LYS 198 N 1.08 0.89 -0.22 2.24 1.79 -1.81 -1.40 116.57 119.14 1c3j h LYS 198 Ca 0.30 -0.55 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1c3j h LYS 198 Cb -0.10 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1c3j h LYS 198 CO -0.07 1.19 0.07 0.52 -1.08 0.00 0.00 179.45 180.08 1c3j h MET 199 N 0.68 0.33 -0.57 3.15 2.86 -0.93 -2.17 114.93 118.28 1c3j h MET 199 Ca 0.02 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1c3j h MET 199 Cb 1.14 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1c3j h MET 199 CO 0.12 0.41 0.15 0.28 1.06 0.00 0.00 176.91 178.93 1c3j h VAL 200 N 0.19 1.25 -0.26 -2.22 2.07 -1.22 -1.13 116.25 114.92 1c3j h VAL 200 Ca 0.07 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1c3j h VAL 200 Cb 0.21 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1c3j h VAL 200 CO -0.00 0.33 0.16 -0.08 0.02 0.00 0.00 177.57 177.99 1c3j h GLU 201 N 0.82 0.35 0.00 1.57 4.57 -1.13 -2.86 114.58 117.90 1c3j h GLU 201 Ca 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1c3j h GLU 201 Cb 0.34 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1c3j h GLU 201 CO 0.00 0.26 -1.16 1.19 -1.18 0.00 0.00 179.01 178.12 1c3j n PHE 202 N -4.89 0.61 0.12 0.92 3.72 -0.83 -4.25 117.46 112.87 1c3j n PHE 202 Ca -0.02 0.18 0.02 0.00 -0.05 0.00 0.00 57.45 57.57 1c3j n PHE 202 Cb 0.04 -0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 37.82 1c3j n PHE 202 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1c3j n LEU 203 N -2.40 0.12 -4.70 4.37 4.77 -0.43 -4.95 117.00 113.78 1c3j n LEU 203 Ca -0.00 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.31 1c3j n LEU 203 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1c3j n LEU 203 CO 0.41 0.03 -0.32 -0.36 -1.33 0.00 0.00 177.39 175.81 1c3j s PHE 204 N -1.55 3.01 -1.39 -1.77 0.40 -1.08 -4.05 117.98 111.56 1c3j s PHE 204 Ca 0.01 -0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 1c3j s PHE 204 Cb 0.02 -1.54 0.05 0.00 0.51 0.00 0.00 43.02 42.06 1c3j s PHE 204 CO 0.14 0.49 0.55 -0.25 0.70 0.00 0.00 175.22 176.85 1c3j n ASP 205 N 0.53 -4.70 0.04 1.36 8.00 -0.39 -4.83 116.55 116.55 1c3j n ASP 205 Ca -0.10 -0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.15 1c3j n ASP 205 Cb 0.52 -3.84 0.03 0.00 -0.02 0.00 0.00 41.12 37.81 1c3j n ASP 205 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1c3j n THR 206 N -4.19 0.23 -0.98 -3.53 -2.24 -1.26 -4.93 114.28 97.38 1c3j n THR 206 Ca -0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1c3j n THR 206 Cb 0.57 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1c3j n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3j n GLY 207 N 1.34 0.36 3.90 3.38 0.00 -1.26 -4.98 105.19 107.93 1c3j n GLY 207 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1c3j n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c3j s LEU 208 N 0.00 3.54 -0.71 0.99 1.43 -1.26 -5.06 118.68 117.62 1c3j s LEU 208 Ca 0.00 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.31 1c3j s LEU 208 Cb 0.00 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1c3j s LEU 208 CO 0.00 -0.56 0.97 0.21 0.23 0.00 0.00 176.35 177.20 1c3j s ASN 209 N -4.12 6.27 0.02 2.29 2.47 -1.26 -5.01 114.94 115.60 1c3j s ASN 209 Ca 0.47 -1.27 0.08 0.00 0.42 0.00 0.00 52.86 52.55 1c3j s ASN 209 Cb -0.05 -2.40 -0.03 0.00 -1.45 0.00 0.00 41.25 37.32 1c3j s ASN 209 CO 0.28 -1.32 -0.23 -0.63 -3.72 0.00 0.00 177.10 171.48 1c3j s ILE 210 N 3.60 2.37 -0.03 -5.21 1.01 -1.26 -1.21 121.20 120.48 1c3j s ILE 210 Ca 0.23 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1c3j s ILE 210 Cb -0.15 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1c3j s ILE 210 CO 0.05 0.42 -0.17 -0.70 0.00 0.00 0.00 174.94 174.55 1c3j s GLU 211 N -1.12 1.56 -0.29 2.79 2.12 -0.98 -1.51 118.70 121.26 1c3j s GLU 211 Ca 0.12 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1c3j s GLU 211 Cb -0.10 -1.42 0.07 0.00 0.26 0.00 0.00 34.13 32.94 1c3j s GLU 211 CO 0.02 0.30 -0.04 0.12 -0.54 0.00 0.00 175.26 175.12 1c3j s PHE 212 N -0.17 3.40 0.26 5.30 2.19 -0.18 -1.89 117.98 126.89 1c3j s PHE 212 Ca 0.01 -2.40 0.06 0.00 0.33 0.00 0.00 56.93 54.93 1c3j s PHE 212 Cb -0.09 -2.26 -0.03 0.00 -1.31 0.00 0.00 43.02 39.33 1c3j s PHE 212 CO 0.01 -0.89 0.33 -0.59 1.83 0.00 0.00 175.22 175.91 1c3j s PHE 213 N 1.09 3.32 0.00 10.12 -0.71 -0.26 -1.93 117.98 129.61 1c3j s PHE 213 Ca -0.03 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 1c3j s PHE 213 Cb -0.20 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.03 1c3j s PHE 213 CO -0.05 0.40 0.00 0.41 -1.34 0.00 0.00 175.22 174.64 1c3j n GLY 214 N -1.38 0.45 0.31 1.99 0.00 -1.11 -0.34 105.19 105.11 1c3j n GLY 214 Ca -0.08 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.84 1c3j n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c3j n ASN 215 N 0.00 0.96 -4.86 1.61 4.13 -1.02 -3.48 115.26 112.59 1c3j n ASN 215 Ca 0.00 -1.45 -0.31 0.00 1.68 0.00 0.00 54.58 54.50 1c3j n ASN 215 Cb 0.00 -0.03 -0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1c3j n ASN 215 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c3j s ALA 216 N -1.94 3.08 0.04 5.41 0.00 -1.24 -4.71 121.76 122.41 1c3j s ALA 216 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1c3j s ALA 216 Cb 0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1c3j s ALA 216 CO 0.30 -0.56 -0.04 1.03 0.00 0.00 0.00 175.76 176.49 1c3j s ARG 217 N -4.84 0.45 0.34 0.00 0.52 -1.26 -4.82 118.95 109.34 1c3j s ARG 217 Ca 0.56 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 1c3j s ARG 217 Cb -0.11 0.05 0.65 0.00 0.52 0.00 0.00 34.95 36.06 1c3j s ARG 217 CO 0.47 -0.05 1.95 1.49 0.02 0.00 0.00 175.30 179.18 1c3j h GLU 218 N 4.17 0.84 0.00 3.54 4.81 -1.97 -2.04 114.58 123.93 1c3j h GLU 218 Ca -0.33 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1c3j h GLU 218 Cb 1.19 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1c3j h GLU 218 CO 0.48 0.56 0.00 1.57 -0.73 0.00 0.00 179.01 180.89 1c3j h LYS 219 N 0.86 0.00 0.00 1.92 2.10 -2.04 -2.06 116.57 117.36 1c3j h LYS 219 Ca 0.33 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 1c3j h LYS 219 Cb 0.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1c3j h LYS 219 CO -0.11 0.00 -0.15 1.96 -2.00 0.00 0.00 179.45 179.14 1c3j h GLN 220 N 0.00 0.00 -4.61 0.07 4.20 -1.79 -3.37 115.11 109.61 1c3j h GLN 220 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 1c3j h GLN 220 Cb 0.21 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.89 1c3j h GLN 220 CO 0.00 0.15 2.29 1.19 -0.67 0.00 0.00 178.83 181.79 1c3j n PHE 221 N -3.15 4.04 -0.05 2.96 3.01 -0.77 -4.64 117.46 118.85 1c3j n PHE 221 Ca 0.03 -2.97 0.01 0.00 1.01 0.00 0.00 57.45 55.53 1c3j n PHE 221 Cb 0.57 -2.39 0.04 0.00 -0.01 0.00 0.00 39.48 37.69 1c3j n PHE 221 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1c3j n LYS 222 N 6.26 2.96 -2.45 -1.08 2.85 -1.26 -5.03 118.16 120.40 1c3j n LYS 222 Ca 0.46 -1.64 -0.43 0.00 -1.05 0.00 0.00 58.31 55.65 1c3j n LYS 222 Cb 0.41 -1.07 -0.02 0.00 -0.65 0.00 0.00 35.03 33.70 1c3j n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1c3j s ASN 223 N -1.02 6.93 0.65 -5.58 3.84 -1.26 -4.92 114.94 113.58 1c3j s ASN 223 Ca 0.06 1.58 0.44 0.00 0.21 0.00 0.00 52.86 55.14 1c3j s ASN 223 Cb 0.03 -2.54 2.37 0.00 -0.55 0.00 0.00 41.25 40.56 1c3j s ASN 223 CO 0.04 -0.79 2.34 1.55 -2.79 0.00 0.00 177.10 177.44 1c3j h PRO 224 N 8.25 0.00 0.00 0.43 0.13 -2.02 -2.20 132.00 136.59 1c3j h PRO 224 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1c3j h PRO 224 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1c3j h PRO 224 CO 0.98 0.00 -0.10 0.87 -0.23 0.00 0.00 178.00 179.52 1c3j h LYS 225 N 0.00 0.00 -3.06 0.86 1.57 -2.03 -3.35 116.57 110.56 1c3j h LYS 225 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1c3j h LYS 225 Cb 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.89 1c3j h LYS 225 CO 0.00 0.10 -0.59 0.71 -0.57 0.00 0.00 179.45 179.11 1c3j s TYR 226 N -3.75 3.49 0.51 -1.35 2.02 -0.83 -5.10 117.35 112.34 1c3j s TYR 226 Ca 0.00 -3.31 -0.22 0.00 -0.37 0.00 0.00 57.07 53.17 1c3j s TYR 226 Cb 0.10 -2.65 -0.06 0.00 -0.40 0.00 0.00 41.96 38.96 1c3j s TYR 226 CO 0.58 -0.55 1.29 -1.25 -1.57 0.00 0.00 175.55 174.04 1c3j s PRO 227 N -1.41 3.42 0.09 -1.71 0.04 -1.26 -4.89 135.00 129.28 1c3j s PRO 227 Ca 0.25 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1c3j s PRO 227 Cb -0.04 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1c3j s PRO 227 CO -0.17 -0.91 0.40 1.67 0.04 0.00 0.00 177.00 178.03 1c3j s TRP 228 N -1.39 -0.22 -0.10 0.56 1.48 -1.26 -5.05 118.94 112.97 1c3j s TRP 228 Ca 0.68 0.00 -0.08 0.00 -1.06 0.00 0.00 56.10 55.64 1c3j s TRP 228 Cb -0.36 0.24 -0.05 0.00 -1.16 0.00 0.00 33.47 32.14 1c3j s TRP 228 CO 0.43 -0.65 -0.19 2.41 -4.06 0.00 0.00 176.95 174.90 1c3j n THR 229 N 0.05 1.08 -4.74 0.66 -1.04 -1.26 -5.02 114.28 104.01 1c3j n THR 229 Ca -0.17 0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 1c3j n THR 229 Cb 0.62 -1.84 -0.15 0.00 -1.82 0.00 0.00 70.33 67.14 1c3j n THR 229 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1c3j s LYS 230 N -2.37 3.27 0.45 -2.82 2.20 -1.26 -5.04 119.74 114.18 1c3j s LYS 230 Ca -0.18 -0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1c3j s LYS 230 Cb 0.05 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 1c3j s LYS 230 CO 0.24 0.13 0.68 0.00 -0.36 0.00 0.00 175.35 176.04 1c3j s ALA 231 N 0.53 3.70 0.99 3.13 0.00 -1.26 -1.26 121.76 127.59 1c3j s ALA 231 Ca -0.10 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1c3j s ALA 231 Cb -0.16 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 20.95 1c3j s ALA 231 CO 0.04 -0.38 1.17 -1.25 0.00 0.00 0.00 175.76 175.34 1c3j s PRO 232 N -4.58 0.51 -0.04 0.00 0.04 -1.26 -4.89 135.00 124.78 1c3j s PRO 232 Ca 0.48 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.33 1c3j s PRO 232 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1c3j s PRO 232 CO 0.39 -2.58 0.90 0.08 0.04 0.00 0.00 177.00 175.82 1c3j s VAL 233 N -3.33 4.91 -0.21 -0.36 1.01 -0.57 -4.88 120.40 116.97 1c3j s VAL 233 Ca 0.67 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 64.40 1c3j s VAL 233 Cb -0.12 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1c3j s VAL 233 CO 0.54 0.15 0.19 -0.36 0.00 0.00 0.00 175.10 175.62 1c3j s PHE 234 N 1.17 3.37 0.38 5.22 0.40 -1.26 -1.01 117.98 126.25 1c3j s PHE 234 Ca 0.47 0.34 0.07 0.00 -0.60 0.00 0.00 56.93 57.20 1c3j s PHE 234 Cb -0.19 -2.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.00 1c3j s PHE 234 CO 0.23 0.15 -0.00 0.95 0.70 0.00 0.00 175.22 177.24 1c3j s THR 235 N 0.79 1.89 1.10 0.64 -4.23 -0.81 -4.97 115.64 110.06 1c3j s THR 235 Ca 0.10 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 1c3j s THR 235 Cb -0.13 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.09 1c3j s THR 235 CO 0.03 -0.05 1.23 -0.83 -0.54 0.00 0.00 174.62 174.46 1c3j s GLY 236 N -3.64 1.70 0.59 3.99 0.00 -1.26 -2.90 107.32 105.80 1c3j s GLY 236 Ca 0.35 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 1c3j s GLY 236 CO 0.17 -0.29 1.03 -1.59 0.00 0.00 0.00 173.10 172.42 1c3j s LYS 237 N -5.71 3.48 0.15 2.90 -2.85 -1.23 -2.77 119.74 113.71 1c3j s LYS 237 Ca 0.74 1.02 0.04 0.00 -1.00 0.00 0.00 55.97 56.77 1c3j s LYS 237 Cb -0.05 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1c3j s LYS 237 CO 0.55 -0.67 -0.09 0.96 0.10 0.00 0.00 175.35 176.20 1c3j s ILE 238 N -2.71 1.11 0.68 3.79 -4.36 -1.26 -4.90 121.20 113.55 1c3j s ILE 238 Ca 0.60 -2.05 -0.17 0.00 -0.26 0.00 0.00 60.65 58.77 1c3j s ILE 238 Cb -0.13 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.72 1c3j s ILE 238 CO 0.41 -0.73 1.24 -2.84 0.24 0.00 0.00 174.94 173.26 1c3j s PRO 239 N -3.77 2.40 0.32 0.37 0.02 -1.26 -4.90 135.00 128.18 1c3j s PRO 239 Ca 0.17 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.13 1c3j s PRO 239 Cb 0.03 -1.85 0.67 0.00 0.02 0.00 0.00 34.50 33.37 1c3j s PRO 239 CO 0.01 -1.67 1.85 0.52 -0.33 0.00 0.00 177.00 177.38 1c3j h MET 240 N 0.19 0.84 0.00 5.54 2.86 -1.95 -0.60 114.93 121.81 1c3j h MET 240 Ca -0.49 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1c3j h MET 240 Cb 1.31 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1c3j h MET 240 CO 0.52 0.55 0.00 0.27 1.06 0.00 0.00 176.91 179.31 1c3j n ASN 241 N -4.59 0.00 -0.59 1.22 6.94 -1.26 -3.11 115.26 113.87 1c3j n ASN 241 Ca 0.18 -0.14 0.06 0.00 -0.02 0.00 0.00 54.58 54.67 1c3j n ASN 241 Cb 0.40 -0.24 0.09 0.00 -2.36 0.00 0.00 39.78 37.68 1c3j n ASN 241 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1c3j n MET 242 N -1.24 1.44 -0.17 -3.83 2.81 -0.23 -4.74 117.12 111.17 1c3j n MET 242 Ca 0.11 -1.54 -0.07 0.00 -1.81 0.00 0.00 57.70 54.39 1c3j n MET 242 Cb 0.16 -1.27 0.02 0.00 -0.71 0.00 0.00 33.22 31.42 1c3j n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1c3j h VAL 243 N 2.48 1.14 -0.12 2.03 2.07 -1.56 -0.71 116.25 121.58 1c3j h VAL 243 Ca 0.00 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1c3j h VAL 243 Cb 0.61 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1c3j h VAL 243 CO 0.00 0.14 -0.36 0.28 0.02 0.00 0.00 177.57 177.65 1c3j h SER 244 N 0.66 0.26 -0.38 0.57 0.02 -1.85 0.76 113.55 113.60 1c3j h SER 244 Ca 0.18 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 1c3j h SER 244 Cb -0.04 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1c3j h SER 244 CO -0.04 0.61 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.87 1c3j h GLU 245 N 0.22 0.88 -0.30 3.45 4.81 -1.80 -1.83 114.58 120.01 1c3j h GLU 245 Ca 0.02 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1c3j h GLU 245 Cb 0.75 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1c3j h GLU 245 CO 0.06 1.09 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.19 1c3j h LYS 246 N 0.69 0.54 -0.62 1.92 1.63 -0.87 -2.87 116.57 116.99 1c3j h LYS 246 Ca 0.07 -0.18 0.09 0.00 -0.85 0.00 0.00 60.65 59.78 1c3j h LYS 246 Cb 0.90 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.45 1c3j h LYS 246 CO 0.08 0.69 0.41 -0.91 -3.45 0.00 0.00 179.45 176.28 1c3j h ASN 247 N 0.32 0.43 0.29 4.20 2.35 -0.77 -2.37 115.58 120.03 1c3j h ASN 247 Ca 0.08 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1c3j h ASN 247 Cb 0.46 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1c3j h ASN 247 CO 0.02 0.26 0.00 -1.20 -1.65 0.00 0.00 177.43 174.86 1c3j n SER 248 N -4.48 0.58 0.00 5.81 7.64 -0.70 -2.36 113.62 120.12 1c3j n SER 248 Ca 0.10 0.72 0.14 0.00 1.01 0.00 0.00 58.87 60.84 1c3j n SER 248 Cb 0.34 -0.81 0.75 0.00 -1.01 0.00 0.00 64.21 63.47 1c3j n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c3j n GLN 249 N -2.23 0.46 -4.17 1.43 10.64 -0.89 -4.65 117.38 117.97 1c3j n GLN 249 Ca -0.00 0.01 -0.23 0.00 -1.83 0.00 0.00 57.00 54.95 1c3j n GLN 249 Cb 0.11 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.93 1c3j n GLN 249 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1c3j s ALA 250 N -2.53 3.43 0.11 2.61 0.00 -1.00 -1.68 121.76 122.70 1c3j s ALA 250 Ca 0.29 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1c3j s ALA 250 Cb 0.20 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1c3j s ALA 250 CO 0.44 0.30 1.53 0.82 0.00 0.00 0.00 175.76 178.85 1c3j h ILE 251 N 1.75 1.27 -4.06 0.00 1.08 -1.10 -3.39 117.51 113.07 1c3j h ILE 251 Ca -0.47 -1.07 -0.17 0.00 -0.39 0.00 0.00 64.86 62.77 1c3j h ILE 251 Cb 1.23 1.27 -0.18 0.00 -3.07 0.00 0.00 36.82 36.07 1c3j h ILE 251 CO 0.61 0.35 -0.70 0.00 -0.69 0.00 0.00 178.15 177.72 1c3j s ALA 252 N -4.87 0.36 -0.02 1.87 0.00 -0.44 -1.07 121.76 117.58 1c3j s ALA 252 Ca -0.13 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1c3j s ALA 252 Cb 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1c3j s ALA 252 CO 0.79 -0.23 -0.15 0.00 0.00 0.00 0.00 175.76 176.17 1c3j s ALA 253 N -2.48 1.26 0.07 0.00 0.00 -0.24 -1.76 121.76 118.61 1c3j s ALA 253 Ca -0.05 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1c3j s ALA 253 Cb -0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 1c3j s ALA 253 CO -0.04 0.27 0.62 -1.17 0.00 0.00 0.00 175.76 175.44 1c3j s LEU 254 N -0.17 4.52 -0.26 0.00 2.96 -1.00 -1.89 118.68 122.84 1c3j s LEU 254 Ca 0.02 1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 55.25 1c3j s LEU 254 Cb -0.08 -2.99 0.03 0.00 0.50 0.00 0.00 46.19 43.65 1c3j s LEU 254 CO 0.00 0.22 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.55 1c3j s ILE 255 N -0.88 2.75 0.29 6.68 -1.09 -0.10 -4.90 121.20 123.94 1c3j s ILE 255 Ca 0.31 -1.17 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1c3j s ILE 255 Cb -0.20 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.18 1c3j s ILE 255 CO 0.20 0.13 0.08 0.27 -1.23 0.00 0.00 174.94 174.39 1c3j s ILE 256 N 1.28 0.81 0.32 2.92 -4.36 -1.26 -1.47 121.20 119.44 1c3j s ILE 256 Ca -0.02 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.25 1c3j s ILE 256 Cb -0.17 -2.70 0.02 0.00 1.25 0.00 0.00 42.46 40.85 1c3j s ILE 256 CO -0.04 0.00 0.60 -0.83 0.24 0.00 0.00 174.94 174.90 1c3j s GLY 257 N -3.39 0.69 0.76 6.27 0.00 -1.26 -5.06 107.32 105.33 1c3j s GLY 257 Ca 0.37 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 44.03 1c3j s GLY 257 CO 0.14 -0.58 1.08 0.99 0.00 0.00 0.00 173.10 174.74 1c3j s ASP 258 N -3.08 4.74 0.26 1.64 1.11 -1.26 -4.91 116.67 115.16 1c3j s ASP 258 Ca 0.21 1.57 -0.02 0.00 0.18 0.00 0.00 52.55 54.49 1c3j s ASP 258 Cb -0.03 -2.35 0.46 0.00 1.07 0.00 0.00 42.92 42.07 1c3j s ASP 258 CO 0.13 -1.85 1.81 0.50 1.18 0.00 0.00 175.17 176.94 1c3j h LYS 259 N -1.00 0.82 0.00 8.23 3.64 -2.00 -1.23 116.57 125.03 1c3j h LYS 259 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1c3j h LYS 259 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1c3j h LYS 259 CO 0.56 0.54 0.00 0.09 -2.27 0.00 0.00 179.45 178.37 1c3j n ASN 260 N -4.71 0.00 0.10 4.20 3.02 -1.26 -2.79 115.26 113.82 1c3j n ASN 260 Ca 0.16 -0.53 0.08 0.00 -0.03 0.00 0.00 54.58 54.25 1c3j n ASN 260 Cb 0.31 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1c3j n ASN 260 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1c3j h TYR 261 N 0.00 0.00 -2.30 3.10 -1.99 -1.58 -3.43 116.97 110.77 1c3j h TYR 261 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 1c3j h TYR 261 Cb 0.11 0.00 0.05 0.00 2.00 0.00 0.00 36.73 38.89 1c3j h TYR 261 CO 0.00 0.20 0.95 0.09 -0.00 0.00 0.00 178.16 179.41 1c3j n ASN 262 N -2.84 3.45 -3.53 3.88 3.02 -1.12 -0.98 115.26 117.15 1c3j n ASN 262 Ca -0.02 1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 55.30 1c3j n ASN 262 Cb 0.64 -1.45 0.01 0.00 -0.61 0.00 0.00 39.78 38.38 1c3j n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1c3j n ASP 263 N 4.67 -4.58 0.04 6.41 8.00 0.47 -4.73 116.55 126.84 1c3j n ASP 263 Ca 0.18 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1c3j n ASP 263 Cb 0.31 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1c3j n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c3j n ASN 264 N -2.54 -0.42 -4.81 -2.24 5.15 -0.61 -4.78 115.26 105.00 1c3j n ASN 264 Ca -0.01 0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.74 1c3j n ASN 264 Cb 0.55 0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 40.32 1c3j n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1c3j s PHE 265 N -1.22 3.70 -0.22 1.20 0.40 -0.15 -2.04 117.98 119.65 1c3j s PHE 265 Ca 0.00 1.01 -0.07 0.00 -0.60 0.00 0.00 56.93 57.27 1c3j s PHE 265 Cb 0.00 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 1c3j s PHE 265 CO 0.00 0.55 0.06 0.42 0.70 0.00 0.00 175.22 176.95 1c3j s ILE 266 N -0.77 4.42 0.41 0.64 -1.09 -1.26 -4.84 121.20 118.72 1c3j s ILE 266 Ca 0.25 -0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.55 1c3j s ILE 266 Cb -0.17 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1c3j s ILE 266 CO 0.13 0.38 0.60 0.42 -1.23 0.00 0.00 174.94 175.24 1c3j s THR 267 N 1.18 3.85 0.38 2.92 -4.23 -1.26 -4.85 115.64 113.63 1c3j s THR 267 Ca 0.04 -0.73 0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1c3j s THR 267 Cb -0.14 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.62 1c3j s THR 267 CO 0.03 -0.21 1.95 0.25 -0.54 0.00 0.00 174.62 176.10 1c3j h LEU 268 N 0.57 0.57 -2.18 4.79 5.85 -1.97 -0.42 115.31 122.52 1c3j h LEU 268 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1c3j h LEU 268 Cb 1.26 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1c3j h LEU 268 CO 0.54 0.35 0.01 0.08 -0.34 0.00 0.00 178.44 179.09 1c3j h ARG 269 N 0.64 0.00 -0.56 1.25 0.11 -1.96 -0.94 114.38 112.92 1c3j h ARG 269 Ca 0.32 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.43 1c3j h ARG 269 Cb 0.41 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.45 1c3j h ARG 269 CO -0.11 0.00 0.34 0.28 0.10 0.00 0.00 179.97 180.58 1c3j h VAL 270 N 0.00 1.06 0.00 0.08 2.07 -1.46 0.35 116.25 118.36 1c3j h VAL 270 Ca 0.01 -0.23 -0.27 0.00 0.82 0.00 0.00 66.70 67.03 1c3j h VAL 270 Cb 0.02 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1c3j h VAL 270 CO -0.00 0.12 -1.05 -0.50 0.02 0.00 0.00 177.57 176.17 1c3j h TRP 271 N 0.67 1.03 -0.86 1.57 4.06 -1.40 0.35 115.95 121.38 1c3j h TRP 271 Ca 0.23 -0.56 -0.00 0.00 2.06 0.00 0.00 58.89 60.61 1c3j h TRP 271 Cb 0.03 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 1c3j h TRP 271 CO -0.06 1.40 0.54 0.93 -3.56 0.00 0.00 178.44 177.68 1c3j h GLU 272 N 0.39 1.16 -0.02 0.49 5.08 -1.08 -0.45 114.58 120.15 1c3j h GLU 272 Ca -0.13 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1c3j h GLU 272 Cb 1.70 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 30.71 1c3j h GLU 272 CO 0.20 0.80 -0.35 1.15 -1.00 0.00 0.00 179.01 179.81 1c3j h THR 273 N 1.18 1.49 -0.70 1.13 2.02 -0.88 -3.09 112.91 114.06 1c3j h THR 273 Ca 0.31 -1.92 0.05 0.00 0.77 0.00 0.00 66.41 65.62 1c3j h THR 273 Cb -0.07 2.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1c3j h THR 273 CO -0.06 0.54 0.46 -0.03 0.37 0.00 0.00 175.52 176.80 1c3j h MET 274 N -0.32 0.74 0.00 6.66 -1.53 -0.64 -1.05 114.93 118.79 1c3j h MET 274 Ca -0.04 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1c3j h MET 274 Cb 1.07 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.95 1c3j h MET 274 CO 0.07 0.49 0.00 0.00 0.14 0.00 0.00 176.91 177.61 1c3j n ALA 275 N -2.45 2.12 -1.93 0.39 0.00 -0.20 -4.44 120.51 113.98 1c3j n ALA 275 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1c3j n ALA 275 Cb 0.20 -1.45 0.21 0.00 0.00 0.00 0.00 19.45 18.41 1c3j n ALA 275 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1c3j s SER 276 N -4.37 2.78 0.00 0.00 1.04 -0.40 -1.37 113.70 111.38 1c3j s SER 276 Ca 0.09 0.15 0.19 0.00 0.48 0.00 0.00 55.95 56.86 1c3j s SER 276 Cb 0.12 -0.09 0.52 0.00 0.10 0.00 0.00 66.02 66.67 1c3j s SER 276 CO 0.54 -2.93 1.43 -0.67 0.98 0.00 0.00 173.24 172.58 1c3j n ASP 277 N -3.88 2.70 -4.85 7.02 2.03 -1.26 -4.73 116.55 113.58 1c3j n ASP 277 Ca 0.17 -1.93 -0.37 0.00 0.52 0.00 0.00 54.79 53.18 1c3j n ASP 277 Cb 0.59 -0.27 -0.06 0.00 -0.72 0.00 0.00 41.12 40.66 1c3j n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c3j s ALA 278 N -1.46 3.83 0.16 -1.67 0.00 -1.26 -4.90 121.76 116.46 1c3j s ALA 278 Ca 0.35 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 1c3j s ALA 278 Cb 0.19 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.18 1c3j s ALA 278 CO 0.26 0.53 1.32 0.08 0.00 0.00 0.00 175.76 177.95 1c3j s VAL 279 N -0.80 3.32 -0.24 0.00 1.01 -0.23 -4.69 120.40 118.77 1c3j s VAL 279 Ca 0.15 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 1c3j s VAL 279 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1c3j s VAL 279 CO 0.04 0.13 1.07 -0.32 0.00 0.00 0.00 175.10 176.01 1c3j s MET 280 N 0.33 4.22 -0.20 2.72 1.75 -1.26 -1.07 119.30 125.78 1c3j s MET 280 Ca 0.59 1.33 -0.02 0.00 -1.25 0.00 0.00 55.69 56.34 1c3j s MET 280 Cb -0.36 -3.67 0.00 0.00 2.84 0.00 0.00 34.83 33.64 1c3j s MET 280 CO 0.35 -0.69 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.41 1c3j s LEU 281 N 3.32 2.58 -0.14 4.11 1.43 -0.79 -4.76 118.68 124.43 1c3j s LEU 281 Ca 0.45 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1c3j s LEU 281 Cb -0.15 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1c3j s LEU 281 CO 0.09 0.01 -0.01 -0.63 0.23 0.00 0.00 176.35 176.03 1c3j s ILE 282 N 1.29 4.18 0.14 -0.59 1.01 0.44 -0.93 121.20 126.75 1c3j s ILE 282 Ca 0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 1c3j s ILE 282 Cb -0.14 -2.82 -0.10 0.00 0.01 0.00 0.00 42.46 39.41 1c3j s ILE 282 CO -0.06 0.52 1.74 -0.62 0.00 0.00 0.00 174.94 176.52 1c3j s ASP 283 N 0.00 6.46 0.23 3.58 2.15 -0.54 -1.30 116.67 127.25 1c3j s ASP 283 Ca 0.02 2.73 -0.06 0.00 0.43 0.00 0.00 52.55 55.68 1c3j s ASP 283 Cb -0.13 -2.58 0.40 0.00 -0.30 0.00 0.00 42.92 40.31 1c3j s ASP 283 CO 0.02 -0.96 1.73 -0.08 -0.17 0.00 0.00 175.17 175.71 1c3j h GLU 284 N 7.86 0.40 0.00 4.34 4.57 -1.45 -1.44 114.58 128.86 1c3j h GLU 284 Ca -0.44 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1c3j h GLU 284 Cb 1.21 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1c3j h GLU 284 CO 0.94 0.27 -0.01 1.49 -1.18 0.00 0.00 179.01 180.52 1c3j h GLU 285 N 0.41 0.00 -0.03 1.92 4.81 -1.91 -1.96 114.58 117.83 1c3j h GLU 285 Ca 0.38 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.47 1c3j h GLU 285 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1c3j h GLU 285 CO -0.39 0.01 -0.60 0.35 -0.73 0.00 0.00 179.01 177.65 1c3j h PHE 286 N 0.00 0.16 -1.23 0.92 3.57 -1.64 -3.39 116.94 115.33 1c3j h PHE 286 Ca -0.00 -0.06 -0.41 0.00 3.53 0.00 0.00 57.97 61.03 1c3j h PHE 286 Cb 0.01 -0.03 -0.28 0.00 2.79 0.00 0.00 35.95 38.44 1c3j h PHE 286 CO 0.00 0.69 -0.83 -3.47 -2.23 0.00 0.00 178.31 172.47 1c3j n ASP 287 N -3.85 -1.24 0.13 0.41 4.64 -0.92 -0.39 116.55 115.33 1c3j n ASP 287 Ca -0.02 -2.91 0.05 0.00 -1.38 0.00 0.00 54.79 50.54 1c3j n ASP 287 Cb 0.61 0.43 0.51 0.00 -1.04 0.00 0.00 41.12 41.62 1c3j n ASP 287 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1c3j h THR 288 N 2.75 1.07 0.00 5.18 1.35 -1.56 -1.64 112.91 120.06 1c3j h THR 288 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1c3j h THR 288 Cb 0.95 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1c3j h THR 288 CO 0.38 0.08 -0.11 0.29 -0.25 0.00 0.00 175.52 175.91 1c3j n LYS 289 N -4.47 0.01 -2.99 4.72 4.76 -1.26 -4.95 118.16 113.98 1c3j n LYS 289 Ca -0.00 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1c3j n LYS 289 Cb 0.11 -1.51 0.05 0.00 -1.84 0.00 0.00 35.03 31.84 1c3j n LYS 289 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1c3j n HIS 290 N -1.52 -1.49 -0.15 2.13 8.25 -0.62 -4.97 115.22 116.85 1c3j n HIS 290 Ca 0.07 0.58 -0.09 0.00 -0.26 0.00 0.00 57.72 58.01 1c3j n HIS 290 Cb 0.34 -3.61 -0.00 0.00 1.12 0.00 0.00 29.99 27.84 1c3j n HIS 290 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c3j h ARG 291 N -1.35 0.71 0.65 -0.41 3.08 -1.93 -3.26 114.38 111.88 1c3j h ARG 291 Ca -0.34 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 1c3j h ARG 291 Cb 1.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1c3j h ARG 291 CO 0.31 0.72 -0.47 0.82 -1.07 0.00 0.00 179.97 180.29 1c3j h ILE 292 N 0.58 0.07 -3.21 2.04 2.04 -1.93 -3.42 117.51 113.68 1c3j h ILE 292 Ca 0.14 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.66 1c3j h ILE 292 Cb 0.34 0.07 -0.38 0.00 -0.74 0.00 0.00 36.82 36.11 1c3j h ILE 292 CO 0.00 0.00 -0.69 -0.63 0.00 0.00 0.00 178.15 176.83 1c3j s ILE 293 N -5.94 -0.18 -1.42 -0.67 1.01 -1.25 -5.06 121.20 107.69 1c3j s ILE 293 Ca -0.18 0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1c3j s ILE 293 Cb 0.04 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 1c3j s ILE 293 CO 0.61 0.17 2.44 -3.20 0.00 0.00 0.00 174.94 174.96 1c3j n ASN 294 N 5.30 5.46 -3.44 3.58 5.15 -1.23 -4.76 115.26 125.34 1c3j n ASN 294 Ca -0.04 -2.70 -0.08 0.00 -0.60 0.00 0.00 54.58 51.16 1c3j n ASN 294 Cb 0.50 -1.55 -0.08 0.00 -0.53 0.00 0.00 39.78 38.13 1c3j n ASN 294 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1c3j s ASP 295 N 3.02 -0.06 0.66 1.20 3.68 -1.26 -5.05 116.67 118.86 1c3j s ASP 295 Ca 0.55 0.54 0.38 0.00 2.13 0.00 0.00 52.55 56.15 1c3j s ASP 295 Cb 0.15 1.28 2.07 0.00 -1.45 0.00 0.00 42.92 44.97 1c3j s ASP 295 CO -0.06 -0.27 2.19 0.00 0.13 0.00 0.00 175.17 177.16 1c3j h ALA 296 N 8.16 1.22 0.00 3.66 0.00 -1.96 -2.39 119.26 127.95 1c3j h ALA 296 Ca -0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1c3j h ALA 296 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1c3j h ALA 296 CO 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.31 1c3j h ARG 297 N 0.00 0.00 -0.01 0.00 3.08 -1.96 -2.42 114.38 113.07 1c3j h ARG 297 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1c3j h ARG 297 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1c3j h ARG 297 CO -0.00 0.02 -0.07 1.19 -1.07 0.00 0.00 179.97 180.04 1c3j n PHE 298 N -3.14 0.00 -4.69 3.04 3.01 -0.90 -4.91 117.46 109.86 1c3j n PHE 298 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.13 1c3j n PHE 298 Cb 0.24 -0.06 -0.12 0.00 -0.01 0.00 0.00 39.48 39.53 1c3j n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1c3j s TYR 299 N -2.18 2.71 -0.00 1.38 1.51 -0.91 -0.42 117.35 119.43 1c3j s TYR 299 Ca 0.35 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1c3j s TYR 299 Cb 0.21 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1c3j s TYR 299 CO 0.40 0.26 -0.10 0.14 -1.11 0.00 0.00 175.55 175.14 1c3j s VAL 300 N -0.87 0.77 -0.10 0.71 -7.23 -0.42 -4.92 120.40 108.34 1c3j s VAL 300 Ca 0.14 -0.45 0.16 0.00 -1.81 0.00 0.00 61.98 60.02 1c3j s VAL 300 Cb -0.11 -0.65 -0.20 0.00 0.56 0.00 0.00 36.38 35.98 1c3j s VAL 300 CO 0.04 0.20 0.63 0.59 -0.31 0.00 0.00 175.10 176.25 1c3j n ASN 301 N 2.78 0.69 -1.99 4.85 3.02 -1.26 -1.13 115.26 122.23 1c3j n ASN 301 Ca -0.14 0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.69 1c3j n ASN 301 Cb 0.57 0.29 0.02 0.00 -0.61 0.00 0.00 39.78 40.05 1c3j n ASN 301 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1c3j n ASN 302 N -2.89 -1.18 -0.18 6.41 0.23 -1.26 -4.83 115.26 111.56 1c3j n ASN 302 Ca -0.16 -1.79 -0.04 0.00 -0.53 0.00 0.00 54.58 52.07 1c3j n ASN 302 Cb 0.95 1.95 0.06 0.00 -2.08 0.00 0.00 39.78 40.67 1c3j n ASN 302 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1c3j h ARG 303 N 0.00 0.53 -0.58 -3.83 2.43 -1.95 -1.80 114.38 109.19 1c3j h ARG 303 Ca -0.17 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1c3j h ARG 303 Cb 0.65 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1c3j h ARG 303 CO 0.22 0.35 0.35 0.00 -1.51 0.00 0.00 179.97 179.38 1c3j h ALA 304 N 1.28 0.75 -0.43 2.80 0.00 -1.97 -1.21 119.26 120.49 1c3j h ALA 304 Ca 0.24 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1c3j h ALA 304 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1c3j h ALA 304 CO -0.16 0.06 -0.19 0.93 0.00 0.00 0.00 179.25 179.89 1c3j h GLU 305 N 0.68 0.84 -0.32 0.00 5.08 -1.92 -2.52 114.58 116.41 1c3j h GLU 305 Ca 0.24 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1c3j h GLU 305 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1c3j h GLU 305 CO -0.11 0.96 0.16 1.25 -1.00 0.00 0.00 179.01 180.27 1c3j h LEU 306 N 0.74 0.42 -0.15 1.33 5.85 -0.66 -0.90 115.31 121.93 1c3j h LEU 306 Ca 0.11 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1c3j h LEU 306 Cb 0.72 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1c3j h LEU 306 CO 0.06 0.42 -0.02 0.40 -0.34 0.00 0.00 178.44 178.96 1c3j h ILE 307 N 0.39 0.86 -0.52 4.05 2.04 -1.22 -0.73 117.51 122.38 1c3j h ILE 307 Ca 0.11 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1c3j h ILE 307 Cb 0.11 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1c3j h ILE 307 CO -0.01 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.90 1c3j h ASP 308 N 0.02 0.62 -0.48 1.72 3.32 -1.34 -0.49 116.42 119.80 1c3j h ASP 308 Ca 0.07 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1c3j h ASP 308 Cb 0.10 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1c3j h ASP 308 CO -0.14 0.48 0.23 -0.09 -1.72 0.00 0.00 179.24 178.00 1c3j h ARG 309 N 0.71 0.68 -0.66 3.56 9.65 -0.87 -0.80 114.38 126.64 1c3j h ARG 309 Ca 0.19 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1c3j h ARG 309 Cb -0.03 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 1c3j h ARG 309 CO -0.04 0.58 0.23 0.28 2.80 0.00 0.00 179.97 183.82 1c3j h VAL 310 N 0.62 1.25 -0.42 0.20 2.07 -0.97 -1.31 116.25 117.69 1c3j h VAL 310 Ca 0.16 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1c3j h VAL 310 Cb 0.12 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1c3j h VAL 310 CO -0.02 0.32 0.03 0.78 0.02 0.00 0.00 177.57 178.70 1c3j h ASN 311 N 0.96 0.63 -0.37 0.57 2.35 -0.81 -0.20 115.58 118.71 1c3j h ASN 311 Ca 0.22 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1c3j h ASN 311 Cb 0.27 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1c3j h ASN 311 CO -0.01 0.68 0.11 -0.33 -1.65 0.00 0.00 177.43 176.23 1c3j h GLU 312 N 0.64 0.57 -0.67 0.81 4.39 -0.68 -1.85 114.58 117.79 1c3j h GLU 312 Ca 0.13 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1c3j h GLU 312 Cb 0.36 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1c3j h GLU 312 CO 0.01 0.59 0.14 -0.07 -1.16 0.00 0.00 179.01 178.52 1c3j h LEU 313 N 0.44 1.02 -1.19 1.33 3.38 -0.92 -0.99 115.31 118.39 1c3j h LEU 313 Ca 0.12 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1c3j h LEU 313 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1c3j h LEU 313 CO -0.00 0.99 -0.28 0.11 0.09 0.00 0.00 178.44 179.35 1c3j h LYS 314 N 1.01 0.00 0.00 1.13 1.57 -0.92 -3.26 116.57 116.11 1c3j h LYS 314 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1c3j h LYS 314 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1c3j h LYS 314 CO 0.01 0.28 -1.32 0.72 -0.57 0.00 0.00 179.45 178.56 1c3j n HIS 315 N -3.53 0.17 -3.79 -1.35 8.25 -0.71 -4.85 115.22 109.41 1c3j n HIS 315 Ca -0.00 0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1c3j n HIS 315 Cb 0.43 -0.39 -0.15 0.00 1.12 0.00 0.00 29.99 30.99 1c3j n HIS 315 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c3j s SER 316 N -3.99 3.79 0.44 0.41 0.15 -0.40 -4.98 113.70 109.12 1c3j s SER 316 Ca 0.01 -1.40 0.18 0.00 0.70 0.00 0.00 55.95 55.44 1c3j s SER 316 Cb 0.14 -0.91 1.00 0.00 -1.71 0.00 0.00 66.02 64.55 1c3j s SER 316 CO 0.85 -0.36 1.93 0.44 1.20 0.00 0.00 173.24 177.31 1c3j h ASP 317 N 8.07 0.00 -0.43 5.45 5.19 -1.88 -2.25 116.42 130.57 1c3j h ASP 317 Ca -0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 1c3j h ASP 317 Cb 1.05 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1c3j h ASP 317 CO 0.43 0.25 0.20 0.58 -3.12 0.00 0.00 179.24 177.58 1c3j h VAL 318 N 0.00 1.18 -0.21 -1.35 2.07 -1.94 -1.38 116.25 114.62 1c3j h VAL 318 Ca -0.00 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1c3j h VAL 318 Cb 0.49 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1c3j h VAL 318 CO 0.03 0.19 0.00 0.25 0.02 0.00 0.00 177.57 178.07 1c3j h LEU 319 N 0.55 0.36 -0.41 2.57 5.85 -1.81 -1.63 115.31 120.78 1c3j h LEU 319 Ca 0.15 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1c3j h LEU 319 Cb 0.12 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1c3j h LEU 319 CO -0.02 0.57 0.24 -0.09 -0.34 0.00 0.00 178.44 178.81 1c3j h ARG 320 N 0.13 0.56 -0.35 1.25 2.43 -1.41 -0.69 114.38 116.31 1c3j h ARG 320 Ca 0.06 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1c3j h ARG 320 Cb 0.39 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1c3j h ARG 320 CO 0.01 0.43 -0.22 0.87 -1.51 0.00 0.00 179.97 179.55 1c3j h LYS 321 N 0.54 0.68 -0.30 0.20 1.57 -1.23 -0.77 116.57 117.25 1c3j h LYS 321 Ca 0.15 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1c3j h LYS 321 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1c3j h LYS 321 CO -0.03 0.84 0.03 1.49 -0.57 0.00 0.00 179.45 181.22 1c3j h GLU 322 N 0.59 0.51 -0.59 3.15 4.81 -1.02 -0.26 114.58 121.78 1c3j h GLU 322 Ca 0.09 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1c3j h GLU 322 Cb 0.70 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1c3j h GLU 322 CO 0.05 0.62 0.07 0.52 -0.73 0.00 0.00 179.01 179.55 1c3j h MET 323 N 0.33 0.99 -0.60 1.92 2.86 -1.00 -0.74 114.93 118.68 1c3j h MET 323 Ca 0.09 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1c3j h MET 323 Cb 0.37 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1c3j h MET 323 CO 0.01 0.95 0.29 -0.07 1.06 0.00 0.00 176.91 179.15 1c3j h LEU 324 N 0.89 0.77 -0.83 1.22 3.38 -1.03 -1.15 115.31 118.57 1c3j h LEU 324 Ca 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1c3j h LEU 324 Cb 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1c3j h LEU 324 CO 0.02 0.68 0.49 -1.28 0.09 0.00 0.00 178.44 178.43 1c3j h SER 325 N 0.81 1.00 -0.25 -0.43 0.87 -0.80 -1.09 113.55 113.66 1c3j h SER 325 Ca 0.21 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1c3j h SER 325 Cb 0.10 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1c3j h SER 325 CO -0.03 0.78 -0.07 0.40 -0.53 0.00 0.00 176.83 177.39 1c3j h ILE 326 N 1.14 1.29 -0.17 2.23 2.04 -0.82 -2.03 117.51 121.18 1c3j h ILE 326 Ca 0.29 -1.08 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1c3j h ILE 326 Cb -0.03 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1c3j h ILE 326 CO -0.05 0.34 -0.34 0.06 0.00 0.00 0.00 178.15 178.15 1c3j h GLN 327 N 0.22 0.35 -0.12 2.37 3.07 -1.08 -2.00 115.11 117.92 1c3j h GLN 327 Ca 0.06 -0.15 -0.11 0.00 0.09 0.00 0.00 58.65 58.54 1c3j h GLN 327 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1c3j h GLN 327 CO 0.03 0.66 -0.41 0.45 0.09 0.00 0.00 178.83 179.64 1c3j h HIS 328 N 0.31 0.30 -0.16 0.06 3.86 -1.13 -2.05 115.15 116.34 1c3j h HIS 328 Ca 0.04 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1c3j h HIS 328 Cb 0.75 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1c3j h HIS 328 CO 0.02 0.63 0.04 0.22 0.86 0.00 0.00 177.93 179.70 1c3j h ASP 329 N 0.22 0.24 -0.66 2.45 1.82 -1.03 -1.07 116.42 118.39 1c3j h ASP 329 Ca 0.02 -0.23 0.04 0.00 -0.39 0.00 0.00 57.03 56.47 1c3j h ASP 329 Cb 0.82 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.72 1c3j h ASP 329 CO 0.06 0.41 0.39 0.40 -1.61 0.00 0.00 179.24 178.89 1c3j h ILE 330 N 0.06 1.03 -0.31 2.25 1.08 -1.24 -0.26 117.51 120.12 1c3j h ILE 330 Ca 0.05 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1c3j h ILE 330 Cb 0.26 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1c3j h ILE 330 CO 0.00 0.13 0.17 0.25 -0.69 0.00 0.00 178.15 178.02 1c3j h LEU 331 N 0.74 0.38 -1.09 1.44 6.46 -1.24 -1.67 115.31 120.32 1c3j h LEU 331 Ca 0.28 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1c3j h LEU 331 Cb 0.10 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1c3j h LEU 331 CO -0.14 0.34 0.09 0.78 -0.62 0.00 0.00 178.44 178.89 1c3j h ASN 332 N 0.38 0.69 -0.60 1.25 2.35 -0.85 -0.37 115.58 118.43 1c3j h ASN 332 Ca 0.11 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1c3j h ASN 332 Cb 0.04 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1c3j h ASN 332 CO -0.02 0.70 0.37 0.07 -1.65 0.00 0.00 177.43 176.90 1c3j h LYS 333 N 0.71 0.80 -0.39 0.81 2.10 -0.67 -0.93 116.57 119.00 1c3j h LYS 333 Ca 0.15 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 1c3j h LYS 333 Cb 0.30 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1c3j h LYS 333 CO 0.00 0.56 -0.00 1.15 -2.00 0.00 0.00 179.45 179.16 1c3j h THR 334 N 0.81 1.26 0.00 0.07 2.02 -0.74 -2.73 112.91 113.60 1c3j h THR 334 Ca 0.22 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1c3j h THR 334 Cb -0.04 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1c3j h THR 334 CO -0.04 0.34 -0.08 0.03 0.37 0.00 0.00 175.52 176.14 1c3j h ARG 335 N 0.51 0.00 0.00 6.66 3.08 -0.72 -2.13 114.38 121.78 1c3j h ARG 335 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1c3j h ARG 335 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1c3j h ARG 335 CO 0.02 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 1c3j h ALA 336 N 1.92 1.00 -0.66 0.04 0.00 -0.85 -2.38 119.26 118.33 1c3j h ALA 336 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1c3j h ALA 336 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1c3j h ALA 336 CO 0.01 0.00 0.16 1.63 0.00 0.00 0.00 179.25 181.05 1c3j n LYS 337 N -2.81 4.12 -0.34 0.00 5.02 -0.80 -4.67 118.16 118.68 1c3j n LYS 337 Ca -0.01 -3.12 0.12 0.00 -2.02 0.00 0.00 58.31 53.28 1c3j n LYS 337 Cb 0.16 -2.22 0.30 0.00 -0.02 0.00 0.00 35.03 33.24 1c3j n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1c3j h LYS 338 N 3.11 0.73 -0.68 1.97 3.64 -1.57 -0.79 116.57 122.98 1c3j h LYS 338 Ca 0.16 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1c3j h LYS 338 Cb 2.18 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.81 1c3j h LYS 338 CO 0.63 0.48 0.19 0.00 -2.27 0.00 0.00 179.45 178.49 1c3j h ALA 339 N 1.63 1.06 -0.16 5.00 0.00 -1.87 0.06 119.26 124.97 1c3j h ALA 339 Ca 0.55 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1c3j h ALA 339 Cb 0.83 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1c3j h ALA 339 CO -0.37 0.63 -0.59 0.93 0.00 0.00 0.00 179.25 179.84 1c3j h GLU 340 N 1.01 0.52 -0.29 0.00 5.08 -1.58 -1.90 114.58 117.43 1c3j h GLU 340 Ca 0.22 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1c3j h GLU 340 Cb 0.32 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1c3j h GLU 340 CO -0.00 0.96 0.05 2.35 -1.00 0.00 0.00 179.01 181.36 1c3j h TRP 341 N 0.39 0.51 -0.70 4.33 7.01 -0.90 -1.10 115.95 125.50 1c3j h TRP 341 Ca -0.00 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1c3j h TRP 341 Cb 1.14 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 28.03 1c3j h TRP 341 CO 0.05 0.58 0.38 1.96 -2.79 0.00 0.00 178.44 178.62 1c3j h GLN 342 N 0.30 0.97 -0.27 2.65 4.20 -0.92 -1.71 115.11 120.32 1c3j h GLN 342 Ca 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1c3j h GLN 342 Cb 0.34 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1c3j h GLN 342 CO 0.01 0.73 0.18 -0.44 -0.67 0.00 0.00 178.83 178.63 1c3j h ASP 343 N 0.96 0.31 -0.75 1.46 3.32 -1.19 -2.17 116.42 118.36 1c3j h ASP 343 Ca 0.25 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1c3j h ASP 343 Cb 0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1c3j h ASP 343 CO -0.04 0.22 0.29 0.00 -1.72 0.00 0.00 179.24 177.99 1c3j h ALA 344 N 1.10 1.08 -0.28 3.45 0.00 -1.02 -1.40 119.26 122.20 1c3j h ALA 344 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1c3j h ALA 344 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1c3j h ALA 344 CO -0.03 0.65 0.16 0.35 0.00 0.00 0.00 179.25 180.38 1c3j h PHE 345 N 1.10 0.37 -0.89 0.00 3.57 -1.10 0.30 116.94 120.29 1c3j h PHE 345 Ca 0.25 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1c3j h PHE 345 Cb 0.23 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1c3j h PHE 345 CO 0.02 0.29 0.59 0.87 -2.23 0.00 0.00 178.31 177.85 1c3j h LYS 346 N 0.34 1.16 -0.47 1.11 1.57 -1.25 -2.12 116.57 116.91 1c3j h LYS 346 Ca 0.10 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1c3j h LYS 346 Cb 0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1c3j h LYS 346 CO -0.02 0.76 0.04 0.87 -0.57 0.00 0.00 179.45 180.53 1c3j h LYS 347 N 1.19 0.75 -0.33 3.15 1.57 -0.92 -1.11 116.57 120.87 1c3j h LYS 347 Ca 0.33 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1c3j h LYS 347 Cb -0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1c3j h LYS 347 CO -0.08 0.74 -0.01 0.00 -0.57 0.00 0.00 179.45 179.53 1c3j h ALA 348 N 1.33 1.38 -0.74 3.86 0.00 -0.34 -2.21 119.26 122.53 1c3j h ALA 348 Ca 0.15 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1c3j h ALA 348 Cb 0.38 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 17.85 1c3j h ALA 348 CO 0.01 0.43 0.39 0.44 0.00 0.00 0.00 179.25 180.52 1c3j n ILE 349 N -4.28 2.72 -3.81 0.00 -5.35 -0.85 -4.96 119.36 102.84 1c3j n ILE 349 Ca 0.01 -1.50 -0.27 0.00 -0.27 0.00 0.00 62.75 60.72 1c3j n ILE 349 Cb 0.25 -0.47 0.04 0.00 -1.74 0.00 0.00 39.64 37.71 1c3j n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1c3j n ASP 350 N -0.45 -4.37 -0.37 7.28 8.00 -0.83 -5.03 116.55 120.78 1c3j n ASP 350 Ca 0.43 -0.74 0.05 0.00 0.71 0.00 0.00 54.79 55.23 1c3j n ASP 350 Cb 1.37 -4.16 0.04 0.00 -0.02 0.00 0.00 41.12 38.35 1c3j n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99