#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2j s SER 17 N 0.00 0.94 -0.15 1.61 1.04 -1.26 -0.80 113.70 115.08 1j2j s SER 17 Ca 0.00 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.56 1j2j s SER 17 Cb 0.00 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.26 1j2j s SER 17 CO 0.00 -0.36 0.34 -0.32 0.98 0.00 0.00 173.24 173.87 1j2j s MET 18 N -2.84 0.27 -0.27 4.02 1.75 -0.55 -4.89 119.30 116.79 1j2j s MET 18 Ca 0.02 0.78 -0.21 0.00 -1.25 0.00 0.00 55.69 55.03 1j2j s MET 18 Cb -0.01 0.03 -0.01 0.00 2.84 0.00 0.00 34.83 37.68 1j2j s MET 18 CO -0.03 -0.21 0.66 0.50 -0.65 0.00 0.00 175.02 175.29 1j2j s ARG 19 N 1.92 4.06 -0.10 4.11 3.52 -1.26 -1.19 118.95 130.00 1j2j s ARG 19 Ca -0.05 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1j2j s ARG 19 Cb -0.11 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1j2j s ARG 19 CO -0.11 -0.48 -0.14 0.42 -0.81 0.00 0.00 175.30 174.19 1j2j s ILE 20 N 2.59 3.05 -0.26 4.11 -1.09 0.40 -1.10 121.20 128.90 1j2j s ILE 20 Ca 0.27 -0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 1j2j s ILE 20 Cb -0.15 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1j2j s ILE 20 CO 0.09 0.55 0.05 -0.22 -1.23 0.00 0.00 174.94 174.18 1j2j s LEU 21 N 0.02 3.49 -0.33 2.97 2.96 -0.16 -0.85 118.68 126.78 1j2j s LEU 21 Ca -0.04 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1j2j s LEU 21 Cb -0.14 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1j2j s LEU 21 CO 0.04 -0.09 0.12 -0.32 -1.32 0.00 0.00 176.35 174.78 1j2j s MET 22 N 1.54 2.91 0.36 1.98 -2.45 0.69 -0.76 119.30 123.58 1j2j s MET 22 Ca 0.05 -0.99 0.04 0.00 -1.25 0.00 0.00 55.69 53.54 1j2j s MET 22 Cb -0.16 -3.49 -0.03 0.00 1.25 0.00 0.00 34.83 32.40 1j2j s MET 22 CO 0.02 -0.56 0.14 0.14 1.05 0.00 0.00 175.02 175.80 1j2j s VAL 23 N 1.49 0.57 0.00 10.11 -7.23 -0.48 -1.88 120.40 122.98 1j2j s VAL 23 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1j2j s VAL 23 Cb -0.18 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1j2j s VAL 23 CO 0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1j2j n GLY 24 N -0.77 2.52 3.71 2.32 0.00 -1.26 -0.95 105.19 110.77 1j2j n GLY 24 Ca -0.03 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1j2j n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j2j s LEU 25 N 0.00 2.96 0.68 0.99 1.43 -1.26 -4.19 118.68 119.29 1j2j s LEU 25 Ca 0.00 2.09 -0.17 0.00 -1.03 0.00 0.00 54.13 55.02 1j2j s LEU 25 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1j2j s LEU 25 CO 0.00 -2.66 0.90 -0.90 0.23 0.00 0.00 176.35 173.93 1j2j n ASP 26 N -3.82 0.34 -0.00 2.29 5.75 -0.93 -2.65 116.55 117.52 1j2j n ASP 26 Ca 0.11 0.70 -0.00 0.00 -0.01 0.00 0.00 54.79 55.60 1j2j n ASP 26 Cb 0.52 -1.37 -0.00 0.00 -1.03 0.00 0.00 41.12 39.24 1j2j n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j2j n ALA 27 N -2.22 -0.00 0.19 2.12 0.00 -1.26 -4.89 120.51 114.45 1j2j n ALA 27 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.64 1j2j n ALA 27 Cb 0.49 -0.67 0.33 0.00 0.00 0.00 0.00 19.45 19.59 1j2j n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2j h ALA 28 N 0.00 0.94 0.00 0.00 0.00 -1.83 -3.46 119.26 114.91 1j2j h ALA 28 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j2j h ALA 28 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j2j h ALA 28 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1j2j n GLY 29 N 0.41 1.51 0.20 0.00 0.00 -1.26 -4.29 105.19 101.75 1j2j n GLY 29 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1j2j n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j2j h LYS 30 N 0.45 -0.41 -0.63 1.61 1.57 -1.92 -1.25 116.57 115.99 1j2j h LYS 30 Ca 0.00 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1j2j h LYS 30 Cb 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1j2j h LYS 30 CO 0.00 -0.24 0.22 1.15 -0.57 0.00 0.00 179.45 180.01 1j2j h THR 31 N -0.47 1.23 -0.40 -0.16 2.02 -1.97 -0.02 112.91 113.15 1j2j h THR 31 Ca -0.04 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1j2j h THR 31 Cb 0.36 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1j2j h THR 31 CO 0.07 0.30 0.21 0.74 0.37 0.00 0.00 175.52 177.21 1j2j h THR 32 N 0.92 1.00 -0.64 3.16 2.02 -1.88 -1.93 112.91 115.56 1j2j h THR 32 Ca 0.21 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1j2j h THR 32 Cb 0.22 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1j2j h THR 32 CO -0.01 0.08 0.31 0.40 0.37 0.00 0.00 175.52 176.67 1j2j h ILE 33 N 0.43 1.22 -0.45 3.11 2.04 -0.59 -1.19 117.51 122.08 1j2j h ILE 33 Ca 0.16 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1j2j h ILE 33 Cb 0.05 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1j2j h ILE 33 CO -0.10 0.25 0.20 0.25 0.00 0.00 0.00 178.15 178.75 1j2j h LEU 34 N 0.88 0.27 0.00 1.44 5.85 -0.51 -0.56 115.31 122.68 1j2j h LEU 34 Ca 0.22 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1j2j h LEU 34 Cb 0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1j2j h LEU 34 CO -0.03 0.19 -0.50 1.88 -0.34 0.00 0.00 178.44 179.64 1j2j h TYR 35 N 0.40 0.00 -0.57 1.25 0.05 -1.25 -0.34 116.97 116.52 1j2j h TYR 35 Ca 0.20 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.91 1j2j h TYR 35 Cb 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1j2j h TYR 35 CO -0.12 0.23 0.09 -0.22 -1.05 0.00 0.00 178.16 177.08 1j2j h LYS 36 N 0.00 0.94 -0.13 4.88 1.63 -0.85 0.14 116.57 123.18 1j2j h LYS 36 Ca -0.02 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1j2j h LYS 36 Cb 1.19 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1j2j h LYS 36 CO 0.03 0.90 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.84 1j2j h LEU 37 N 0.84 0.23 -0.06 5.20 3.38 -0.80 -0.19 115.31 123.91 1j2j h LEU 37 Ca 0.17 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1j2j h LEU 37 Cb 0.42 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1j2j h LEU 37 CO 0.01 0.51 -0.58 0.50 0.09 0.00 0.00 178.44 178.98 1j2j h LYS 38 N -0.05 0.49 -0.00 1.13 1.63 -1.02 -3.37 116.57 115.37 1j2j h LYS 38 Ca 0.03 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1j2j h LYS 38 Cb 0.40 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1j2j h LYS 38 CO 0.01 1.09 -0.26 1.28 -3.45 0.00 0.00 179.45 178.12 1j2j n LEU 39 N -4.20 0.80 0.00 5.20 4.77 0.46 -5.02 117.00 119.01 1j2j n LEU 39 Ca -0.09 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1j2j n LEU 39 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1j2j n LEU 39 CO 0.47 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1j2j n GLY 40 N 0.98 0.46 3.18 -0.72 0.00 -0.08 -4.98 105.19 104.02 1j2j n GLY 40 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1j2j n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2j s GLU 41 N -0.18 0.93 -0.25 1.61 0.41 -1.25 -4.96 118.70 115.01 1j2j s GLU 41 Ca 0.00 -1.42 -0.23 0.00 -0.41 0.00 0.00 54.97 52.91 1j2j s GLU 41 Cb 0.00 -0.03 -0.01 0.00 -1.78 0.00 0.00 34.13 32.31 1j2j s GLU 41 CO 0.00 -0.15 0.75 0.42 -0.49 0.00 0.00 175.26 175.79 1j2j s ILE 42 N -3.81 4.89 0.23 -1.63 -1.09 -1.26 -3.14 121.20 115.40 1j2j s ILE 42 Ca 0.19 1.35 0.09 0.00 -2.23 0.00 0.00 60.65 60.05 1j2j s ILE 42 Cb 0.07 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1j2j s ILE 42 CO -0.00 -0.06 0.01 0.68 -1.23 0.00 0.00 174.94 174.34 1j2j s VAL 43 N 2.72 3.59 0.75 2.92 -7.23 -1.26 -5.09 120.40 116.80 1j2j s VAL 43 Ca 0.31 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 1j2j s VAL 43 Cb -0.15 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 33.96 1j2j s VAL 43 CO 0.08 -0.28 1.15 0.42 -0.31 0.00 0.00 175.10 176.16 1j2j s THR 44 N -2.10 2.69 0.16 5.32 -4.23 -1.26 -4.91 115.64 111.31 1j2j s THR 44 Ca 0.30 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1j2j s THR 44 Cb -0.07 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1j2j s THR 44 CO 0.20 -0.23 0.08 0.42 -0.54 0.00 0.00 174.62 174.55 1j2j s THR 45 N -2.36 0.10 0.21 3.99 -4.23 -1.26 -5.05 115.64 107.03 1j2j s THR 45 Ca 0.69 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1j2j s THR 45 Cb -0.24 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 1j2j s THR 45 CO 0.48 -0.26 -0.12 0.27 -0.54 0.00 0.00 174.62 174.45 1j2j s ILE 46 N -4.07 1.63 0.15 2.99 -4.36 -1.26 -5.09 121.20 111.18 1j2j s ILE 46 Ca 0.31 -2.18 -0.34 0.00 -0.26 0.00 0.00 60.65 58.18 1j2j s ILE 46 Cb 0.07 -2.07 -0.14 0.00 1.25 0.00 0.00 42.46 41.58 1j2j s ILE 46 CO 0.06 -0.58 1.59 -2.65 0.24 0.00 0.00 174.94 173.61 1j2j n PRO 47 N -0.38 2.14 -2.61 0.37 -0.02 -1.26 -4.86 135.00 128.38 1j2j n PRO 47 Ca -0.08 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1j2j n PRO 47 Cb 0.61 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1j2j n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1j2j s THR 48 N 1.09 4.40 -0.58 3.45 2.01 -1.26 -4.98 115.64 119.77 1j2j s THR 48 Ca 0.80 1.57 -0.13 0.00 0.31 0.00 0.00 61.69 64.23 1j2j s THR 48 Cb -0.68 -4.46 0.14 0.00 0.01 0.00 0.00 72.50 67.52 1j2j s THR 48 CO 0.39 -0.63 0.51 -0.63 -0.69 0.00 0.00 174.62 173.56 1j2j s ILE 49 N 3.93 4.96 0.00 1.82 -1.09 -1.26 -4.08 121.20 125.48 1j2j s ILE 49 Ca 0.47 -1.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 1j2j s ILE 49 Cb -0.11 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1j2j s ILE 49 CO 0.20 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.65 1j2j n GLY 50 N 4.85 0.41 3.62 6.18 0.00 -1.26 -5.04 105.19 113.96 1j2j n GLY 50 Ca -0.06 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 1j2j n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j2j s PHE 51 N 0.00 0.27 0.04 1.61 -0.12 -1.26 -1.66 117.98 116.86 1j2j s PHE 51 Ca 0.00 -0.64 0.06 0.00 -0.05 0.00 0.00 56.93 56.29 1j2j s PHE 51 Cb 0.00 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1j2j s PHE 51 CO 0.00 -1.02 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.19 1j2j s ASN 52 N -3.00 1.89 -0.04 1.98 -0.87 0.06 -5.00 114.94 109.97 1j2j s ASN 52 Ca 0.20 -0.47 0.01 0.00 -1.57 0.00 0.00 52.86 51.03 1j2j s ASN 52 Cb -0.01 -0.14 0.02 0.00 -0.02 0.00 0.00 41.25 41.10 1j2j s ASN 52 CO 0.08 0.07 -0.02 0.54 -2.57 0.00 0.00 177.10 175.20 1j2j s VAL 53 N -0.82 0.36 0.02 1.60 0.11 -1.26 -0.28 120.40 120.13 1j2j s VAL 53 Ca 0.03 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1j2j s VAL 53 Cb -0.08 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 1j2j s VAL 53 CO 0.01 0.18 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.32 1j2j s GLU 54 N 0.92 0.33 -0.20 1.54 0.41 -0.91 -4.99 118.70 115.80 1j2j s GLU 54 Ca -0.11 -0.62 -0.10 0.00 -0.41 0.00 0.00 54.97 53.73 1j2j s GLU 54 Cb -0.14 0.08 -0.05 0.00 -1.78 0.00 0.00 34.13 32.24 1j2j s GLU 54 CO -0.01 -0.04 0.12 0.99 -0.49 0.00 0.00 175.26 175.83 1j2j s THR 55 N -1.45 5.32 -0.19 3.63 2.01 -1.26 -0.74 115.64 122.95 1j2j s THR 55 Ca -0.16 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1j2j s THR 55 Cb -0.10 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 1j2j s THR 55 CO -0.01 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.59 1j2j s VAL 56 N 0.39 3.12 -0.23 3.82 1.01 0.31 -4.94 120.40 123.87 1j2j s VAL 56 Ca 0.07 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1j2j s VAL 56 Cb -0.11 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1j2j s VAL 56 CO -0.01 0.46 0.57 -1.61 0.00 0.00 0.00 175.10 174.51 1j2j s GLU 57 N 1.17 4.14 -0.20 2.72 0.41 -1.26 -0.90 118.70 124.79 1j2j s GLU 57 Ca 0.02 0.47 -0.10 0.00 -0.41 0.00 0.00 54.97 54.95 1j2j s GLU 57 Cb -0.14 -3.61 0.07 0.00 -1.78 0.00 0.00 34.13 28.66 1j2j s GLU 57 CO -0.03 -0.29 0.46 -0.47 -0.49 0.00 0.00 175.26 174.45 1j2j s TYR 58 N 2.10 -0.73 -1.50 1.61 5.04 -0.51 -4.91 117.35 118.45 1j2j s TYR 58 Ca 0.25 1.50 -0.12 0.00 -2.44 0.00 0.00 57.07 56.25 1j2j s TYR 58 Cb -0.16 0.35 0.07 0.00 0.35 0.00 0.00 41.96 42.57 1j2j s TYR 58 CO 0.09 -0.41 0.94 1.63 -1.34 0.00 0.00 175.55 176.47 1j2j n LYS 59 N 4.50 -5.61 -1.41 4.97 4.76 -1.26 -0.84 118.16 123.27 1j2j n LYS 59 Ca -0.20 0.64 -0.14 0.00 -2.87 0.00 0.00 58.31 55.74 1j2j n LYS 59 Cb 0.55 -5.53 -0.06 0.00 -1.84 0.00 0.00 35.03 28.14 1j2j n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1j2j n ASN 60 N -2.79 -4.80 -4.33 4.39 3.02 -1.26 -4.98 115.26 104.51 1j2j n ASN 60 Ca 0.03 0.35 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 1j2j n ASN 60 Cb 0.54 -3.53 -0.15 0.00 -0.61 0.00 0.00 39.78 36.02 1j2j n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j2j s ILE 61 N -2.48 2.56 -0.51 2.41 1.01 -0.02 -2.89 121.20 121.28 1j2j s ILE 61 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1j2j s ILE 61 Cb 0.00 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1j2j s ILE 61 CO 0.00 0.56 0.70 -0.44 0.00 0.00 0.00 174.94 175.76 1j2j s SER 62 N 0.01 6.26 -0.41 3.58 0.01 0.02 -1.42 113.70 121.75 1j2j s SER 62 Ca -0.07 -0.71 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 1j2j s SER 62 Cb -0.15 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1j2j s SER 62 CO 0.05 -0.96 0.69 -0.36 0.41 0.00 0.00 173.24 173.07 1j2j s PHE 63 N 2.96 3.08 -0.40 2.43 0.40 -0.08 -1.49 117.98 124.88 1j2j s PHE 63 Ca 0.19 0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.50 1j2j s PHE 63 Cb -0.17 -3.36 0.01 0.00 0.51 0.00 0.00 43.02 40.02 1j2j s PHE 63 CO 0.14 -0.81 0.67 0.99 0.70 0.00 0.00 175.22 176.92 1j2j s THR 64 N 2.92 4.82 -0.27 0.64 2.01 -0.34 -0.53 115.64 124.89 1j2j s THR 64 Ca 0.26 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 1j2j s THR 64 Cb -0.14 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1j2j s THR 64 CO 0.18 -0.48 0.11 -0.69 -0.69 0.00 0.00 174.62 173.05 1j2j s VAL 65 N 2.85 4.45 -0.47 3.82 1.01 0.08 -0.45 120.40 131.70 1j2j s VAL 65 Ca 0.25 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1j2j s VAL 65 Cb -0.14 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1j2j s VAL 65 CO 0.17 0.23 0.55 0.26 0.00 0.00 0.00 175.10 176.31 1j2j s TRP 66 N 1.62 3.11 -0.48 5.22 0.52 -0.03 -2.13 118.94 126.76 1j2j s TRP 66 Ca 0.06 -0.44 -0.21 0.00 0.02 0.00 0.00 56.10 55.53 1j2j s TRP 66 Cb -0.16 -3.27 0.04 0.00 -1.15 0.00 0.00 33.47 28.93 1j2j s TRP 66 CO 0.05 -0.88 0.69 0.34 0.02 0.00 0.00 176.95 177.16 1j2j s ASP 67 N 2.29 6.29 -0.14 2.95 2.15 0.61 -0.22 116.67 130.61 1j2j s ASP 67 Ca 0.14 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 1j2j s ASP 67 Cb -0.18 -2.33 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1j2j s ASP 67 CO 0.13 -0.90 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.53 1j2j s VAL 68 N 2.93 4.13 0.41 1.11 1.01 -0.79 -0.76 120.40 128.45 1j2j s VAL 68 Ca 0.21 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1j2j s VAL 68 Cb -0.16 -2.79 -0.10 0.00 0.00 0.00 0.00 36.38 33.33 1j2j s VAL 68 CO 0.16 0.52 1.47 -0.83 0.00 0.00 0.00 175.10 176.43 1j2j s GLY 69 N -0.02 2.93 0.00 4.51 0.00 -0.66 -4.70 107.32 109.38 1j2j s GLY 69 Ca 0.02 1.55 0.11 0.00 0.00 0.00 0.00 44.72 46.41 1j2j s GLY 69 CO 0.02 2.20 1.16 0.61 0.00 0.00 0.00 173.10 177.10 1j2j n GLY 70 N 0.50 1.92 3.69 0.20 0.00 -1.26 -4.66 105.19 105.58 1j2j n GLY 70 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1j2j n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j2j n LEU 71 N 0.60 3.66 -0.31 0.99 4.77 -1.26 -2.19 117.00 123.26 1j2j n LEU 71 Ca 0.11 1.15 0.09 0.00 -0.03 0.00 0.00 56.01 57.33 1j2j n LEU 71 Cb 0.40 -1.48 0.31 0.00 -2.33 0.00 0.00 43.42 40.32 1j2j n LEU 71 CO 0.08 -0.64 1.23 -0.78 -1.33 0.00 0.00 177.39 175.95 1j2j h ASP 72 N 2.26 0.79 -0.17 -1.43 3.58 -1.99 -1.15 116.42 118.31 1j2j h ASP 72 Ca -0.47 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.08 1j2j h ASP 72 Cb 1.29 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1j2j h ASP 72 CO 0.61 0.42 0.14 0.07 -2.88 0.00 0.00 179.24 177.59 1j2j h LYS 73 N 0.85 0.00 -0.27 0.28 2.10 -1.99 -1.97 116.57 115.57 1j2j h LYS 73 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1j2j h LYS 73 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1j2j h LYS 73 CO -0.23 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.66 1j2j n ILE 74 N -4.27 0.70 0.24 0.07 -5.35 -0.46 -4.58 119.36 105.70 1j2j n ILE 74 Ca 0.01 -0.85 0.07 0.00 -0.27 0.00 0.00 62.75 61.71 1j2j n ILE 74 Cb 0.27 0.73 0.58 0.00 -1.74 0.00 0.00 39.64 39.48 1j2j n ILE 74 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1j2j h ARG 75 N 2.30 0.00 0.00 6.28 3.08 -1.03 -0.89 114.38 124.11 1j2j h ARG 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j2j h ARG 75 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1j2j h ARG 75 CO 0.00 0.11 0.10 -1.35 -1.07 0.00 0.00 179.97 177.76 1j2j h PRO 76 N 0.00 0.00 0.00 0.04 0.11 -1.81 -1.12 132.00 129.22 1j2j h PRO 76 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1j2j h PRO 76 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1j2j h PRO 76 CO 0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.08 1j2j n LEU 77 N -3.01 0.37 -0.22 2.35 4.77 -0.34 -3.76 117.00 117.15 1j2j n LEU 77 Ca -0.03 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 1j2j n LEU 77 Cb 0.16 -0.42 0.39 0.00 -2.33 0.00 0.00 43.42 41.22 1j2j n LEU 77 CO 0.18 -0.11 1.22 -0.50 -1.33 0.00 0.00 177.39 176.85 1j2j h TRP 78 N 0.00 0.74 -0.08 -1.77 4.06 -1.34 -1.45 115.95 116.11 1j2j h TRP 78 Ca 0.00 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.99 1j2j h TRP 78 Cb 0.59 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1j2j h TRP 78 CO 0.00 0.32 0.09 0.07 -3.56 0.00 0.00 178.44 175.36 1j2j h ARG 79 N 0.67 0.00 0.00 0.49 0.11 -1.79 -0.40 114.38 113.47 1j2j h ARG 79 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1j2j h ARG 79 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1j2j h ARG 79 CO -0.15 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.64 1j2j n HIS 80 N -3.85 0.39 0.83 4.08 8.25 -0.55 -2.80 115.22 121.57 1j2j n HIS 80 Ca -0.01 0.14 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 1j2j n HIS 80 Cb 0.19 -0.73 0.01 0.00 1.12 0.00 0.00 29.99 30.58 1j2j n HIS 80 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j2j n TYR 81 N -1.84 0.00 -0.08 4.41 4.02 -0.16 -4.58 117.16 118.93 1j2j n TYR 81 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1j2j n TYR 81 Cb 0.24 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.71 1j2j n TYR 81 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1j2j h PHE 82 N 2.29 0.79 -2.12 -0.72 0.05 -1.55 -3.42 116.94 112.27 1j2j h PHE 82 Ca 0.00 -0.14 -0.61 0.00 3.82 0.00 0.00 57.97 61.04 1j2j h PHE 82 Cb 0.66 -0.20 0.04 0.00 2.00 0.00 0.00 35.95 38.45 1j2j h PHE 82 CO 0.00 0.80 0.85 0.94 -0.18 0.00 0.00 178.31 180.72 1j2j n GLN 83 N -4.17 2.01 -0.91 1.51 7.27 -1.26 -1.42 117.38 120.41 1j2j n GLN 83 Ca 0.01 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.81 1j2j n GLN 83 Cb 0.36 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1j2j n GLN 83 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1j2j n ASN 84 N 4.28 -0.58 -4.72 1.69 3.02 -1.26 -4.99 115.26 112.70 1j2j n ASN 84 Ca 0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 1j2j n ASN 84 Cb 0.27 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1j2j n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1j2j s THR 85 N -3.13 2.53 -0.19 3.41 2.01 -0.50 -4.72 115.64 115.04 1j2j s THR 85 Ca 0.00 0.37 0.13 0.00 0.31 0.00 0.00 61.69 62.50 1j2j s THR 85 Cb 0.00 -3.24 -0.21 0.00 0.01 0.00 0.00 72.50 69.06 1j2j s THR 85 CO 0.00 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 1j2j n GLN 86 N 4.02 0.91 -3.95 4.92 6.02 -0.26 -4.42 117.38 124.63 1j2j n GLN 86 Ca 0.14 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 1j2j n GLN 86 Cb 0.38 -1.47 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 1j2j n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1j2j s GLY 87 N -5.49 0.08 -0.13 1.08 0.00 -0.94 -1.62 107.32 100.29 1j2j s GLY 87 Ca -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.50 1j2j s GLY 87 CO 0.70 -0.01 -0.02 1.08 0.00 0.00 0.00 173.10 174.85 1j2j s LEU 88 N 0.02 3.36 -0.27 0.66 1.43 0.26 -0.99 118.68 123.16 1j2j s LEU 88 Ca 0.00 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1j2j s LEU 88 Cb -0.01 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1j2j s LEU 88 CO -0.00 0.23 -0.01 -0.63 0.23 0.00 0.00 176.35 176.17 1j2j s ILE 89 N -0.02 3.29 -0.33 -0.59 1.01 0.06 -0.64 121.20 123.99 1j2j s ILE 89 Ca 0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1j2j s ILE 89 Cb -0.13 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1j2j s ILE 89 CO 0.02 0.15 0.16 0.12 0.00 0.00 0.00 174.94 175.39 1j2j s PHE 90 N 1.39 3.20 -0.19 3.97 5.36 0.00 -1.38 117.98 130.32 1j2j s PHE 90 Ca 0.01 -0.75 -0.13 0.00 -0.96 0.00 0.00 56.93 55.10 1j2j s PHE 90 Cb -0.17 -2.37 -0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1j2j s PHE 90 CO -0.02 -0.53 0.27 0.08 -1.46 0.00 0.00 175.22 173.57 1j2j s VAL 91 N 1.58 5.30 -0.07 3.12 1.01 -0.12 -1.18 120.40 130.04 1j2j s VAL 91 Ca 0.03 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1j2j s VAL 91 Cb -0.18 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1j2j s VAL 91 CO 0.06 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.61 1j2j s VAL 92 N 0.78 2.41 -0.53 2.92 1.01 -0.08 -4.15 120.40 122.77 1j2j s VAL 92 Ca 0.14 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1j2j s VAL 92 Cb -0.13 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1j2j s VAL 92 CO 0.04 0.57 1.47 -0.62 0.00 0.00 0.00 175.10 176.56 1j2j s ASP 93 N -0.16 6.08 0.38 3.32 3.68 -1.26 -0.84 116.67 127.87 1j2j s ASP 93 Ca -0.03 0.43 0.27 0.00 2.13 0.00 0.00 52.55 55.35 1j2j s ASP 93 Cb -0.14 -2.54 1.29 0.00 -1.45 0.00 0.00 42.92 40.08 1j2j s ASP 93 CO 0.04 -1.71 1.82 0.28 0.13 0.00 0.00 175.17 175.72 1j2j h SER 94 N 11.39 0.00 0.22 -0.34 0.02 -1.39 -1.84 113.55 121.61 1j2j h SER 94 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1j2j h SER 94 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1j2j h SER 94 CO 1.16 0.00 -0.53 -3.20 -1.14 0.00 0.00 176.83 173.12 1j2j n ASN 95 N -2.48 1.05 -4.38 3.07 4.05 -1.26 -1.06 115.26 114.26 1j2j n ASN 95 Ca -0.00 -0.84 -0.44 0.00 0.45 0.00 0.00 54.58 53.75 1j2j n ASN 95 Cb 0.15 0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.57 1j2j n ASN 95 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1j2j n ASP 96 N -0.97 5.42 0.13 1.20 4.64 -0.69 -4.80 116.55 121.48 1j2j n ASP 96 Ca 0.08 -3.02 0.01 0.00 -1.38 0.00 0.00 54.79 50.47 1j2j n ASP 96 Cb 0.36 -1.46 0.31 0.00 -1.04 0.00 0.00 41.12 39.29 1j2j n ASP 96 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1j2j h ARG 97 N 6.80 0.15 0.00 -0.67 3.08 -1.84 -2.79 114.38 119.11 1j2j h ARG 97 Ca 0.24 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1j2j h ARG 97 Cb 0.86 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1j2j h ARG 97 CO 1.13 0.47 -0.15 0.93 -1.07 0.00 0.00 179.97 181.28 1j2j h GLU 98 N 0.13 0.00 -0.13 0.04 5.08 -1.98 -3.14 114.58 114.59 1j2j h GLU 98 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1j2j h GLU 98 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1j2j h GLU 98 CO 0.05 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.75 1j2j n ARG 99 N -3.86 2.61 0.03 2.33 1.74 -1.07 -4.65 116.66 113.79 1j2j n ARG 99 Ca -0.02 -2.05 -0.03 0.00 -0.77 0.00 0.00 57.85 54.98 1j2j n ARG 99 Cb 0.25 -1.29 0.20 0.00 -1.02 0.00 0.00 32.46 30.60 1j2j n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1j2j h VAL 100 N 0.78 1.27 -0.09 1.55 3.04 -1.45 -0.78 116.25 120.57 1j2j h VAL 100 Ca 0.00 -1.31 -0.18 0.00 -1.01 0.00 0.00 66.70 64.20 1j2j h VAL 100 Cb 0.79 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1j2j h VAL 100 CO 0.03 0.41 -0.71 -1.13 -1.01 0.00 0.00 177.57 175.16 1j2j h ASN 101 N 0.39 0.52 -0.86 3.17 -1.24 -1.83 -1.42 115.58 114.31 1j2j h ASN 101 Ca 0.05 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.72 1j2j h ASN 101 Cb 0.70 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.55 1j2j h ASN 101 CO 0.05 1.07 0.51 -0.08 -1.29 0.00 0.00 177.43 177.70 1j2j h GLU 102 N 0.30 1.18 -0.40 6.67 4.81 -1.75 0.87 114.58 126.26 1j2j h GLU 102 Ca -0.03 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1j2j h GLU 102 Cb 1.29 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1j2j h GLU 102 CO 0.12 0.83 0.19 0.00 -0.73 0.00 0.00 179.01 179.43 1j2j h ALA 103 N 1.37 0.52 -0.46 2.92 0.00 -0.78 -1.54 119.26 121.29 1j2j h ALA 103 Ca 0.31 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1j2j h ALA 103 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1j2j h ALA 103 CO -0.06 0.08 0.24 -0.09 0.00 0.00 0.00 179.25 179.42 1j2j h ARG 104 N 0.51 0.46 -0.69 0.00 2.43 -0.58 0.11 114.38 116.62 1j2j h ARG 104 Ca 0.14 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1j2j h ARG 104 Cb 0.12 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1j2j h ARG 104 CO -0.02 0.30 0.42 0.93 -1.51 0.00 0.00 179.97 180.09 1j2j h GLU 105 N 0.47 0.77 -0.51 0.20 4.39 -0.49 -0.39 114.58 119.03 1j2j h GLU 105 Ca 0.20 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 1j2j h GLU 105 Cb 0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1j2j h GLU 105 CO -0.13 0.51 -0.18 0.93 -1.16 0.00 0.00 179.01 178.98 1j2j h GLU 106 N 0.80 1.02 -0.35 2.33 4.39 -0.77 -2.14 114.58 119.85 1j2j h GLU 106 Ca 0.29 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1j2j h GLU 106 Cb 0.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1j2j h GLU 106 CO -0.13 1.10 0.20 1.25 -1.16 0.00 0.00 179.01 180.27 1j2j h LEU 107 N 0.88 0.44 -0.83 1.33 5.85 -0.26 -1.68 115.31 121.04 1j2j h LEU 107 Ca 0.12 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1j2j h LEU 107 Cb 0.76 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1j2j h LEU 107 CO 0.06 0.38 -0.44 0.24 -0.34 0.00 0.00 178.44 178.35 1j2j h MET 108 N 0.45 0.32 -0.63 1.25 2.86 -1.04 -1.37 114.93 116.77 1j2j h MET 108 Ca 0.13 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1j2j h MET 108 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1j2j h MET 108 CO -0.02 0.71 0.10 -0.09 1.06 0.00 0.00 176.91 178.67 1j2j h ARG 109 N 0.27 1.05 -0.34 1.72 2.43 -1.20 -2.33 114.38 115.97 1j2j h ARG 109 Ca 0.02 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.78 1j2j h ARG 109 Cb 0.88 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1j2j h ARG 109 CO 0.07 0.98 -0.29 1.98 -1.51 0.00 0.00 179.97 181.20 1j2j h MET 110 N 0.96 0.80 0.00 0.20 4.05 -1.12 -3.16 114.93 116.66 1j2j h MET 110 Ca 0.19 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1j2j h MET 110 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1j2j h MET 110 CO 0.01 1.03 0.00 -0.07 0.23 0.00 0.00 176.91 178.12 1j2j h LEU 111 N 0.58 0.00 -0.21 3.39 3.38 -1.01 -2.23 115.31 119.21 1j2j h LEU 111 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j2j h LEU 111 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1j2j h LEU 111 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1j2j n ALA 112 N -1.88 1.93 -2.52 1.53 0.00 -0.90 -4.83 120.51 113.84 1j2j n ALA 112 Ca 0.01 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1j2j n ALA 112 Cb 0.19 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1j2j n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j2j s GLU 113 N -3.12 4.55 0.42 0.00 0.41 -0.84 -4.94 118.70 115.19 1j2j s GLU 113 Ca 0.08 1.54 0.08 0.00 -0.41 0.00 0.00 54.97 56.26 1j2j s GLU 113 Cb 0.12 -3.40 0.91 0.00 -1.78 0.00 0.00 34.13 29.97 1j2j s GLU 113 CO 0.43 -0.05 2.06 -0.44 -0.49 0.00 0.00 175.26 176.77 1j2j h ASP 114 N 6.49 0.42 0.30 -0.19 3.32 -1.90 -1.66 116.42 123.20 1j2j h ASP 114 Ca -0.42 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1j2j h ASP 114 Cb 1.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1j2j h ASP 114 CO 0.76 0.30 0.00 -0.33 -1.72 0.00 0.00 179.24 178.25 1j2j h GLU 115 N 0.50 0.00 -0.48 3.56 5.08 -1.94 -1.34 114.58 119.95 1j2j h GLU 115 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1j2j h GLU 115 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1j2j h GLU 115 CO -0.03 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 1j2j n LEU 116 N -2.95 4.15 -0.15 1.33 4.77 -0.62 -4.67 117.00 118.87 1j2j n LEU 116 Ca -0.02 -2.49 0.08 0.00 -0.03 0.00 0.00 56.01 53.56 1j2j n LEU 116 Cb 0.13 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.13 1j2j n LEU 116 CO 0.21 0.76 1.21 0.08 -1.33 0.00 0.00 177.39 178.31 1j2j h ARG 117 N 3.06 0.63 -0.32 3.23 0.11 -1.28 -1.81 114.38 118.00 1j2j h ARG 117 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1j2j h ARG 117 Cb 1.29 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1j2j h ARG 117 CO 0.18 0.42 0.00 -0.25 0.10 0.00 0.00 179.97 180.42 1j2j n ASP 118 N -4.48 3.24 -4.77 0.08 10.43 -1.26 -4.95 116.55 114.85 1j2j n ASP 118 Ca 0.10 -1.94 -0.39 0.00 2.57 0.00 0.00 54.79 55.13 1j2j n ASP 118 Cb 0.27 -0.21 -0.05 0.00 1.84 0.00 0.00 41.12 42.98 1j2j n ASP 118 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j2j s ALA 119 N -1.42 3.30 0.40 2.24 0.00 -0.68 -4.96 121.76 120.63 1j2j s ALA 119 Ca 0.34 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1j2j s ALA 119 Cb 0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1j2j s ALA 119 CO 0.28 -0.12 0.67 0.14 0.00 0.00 0.00 175.76 176.74 1j2j s VAL 120 N -1.33 4.97 -0.18 0.00 -7.23 -0.64 -4.74 120.40 111.26 1j2j s VAL 120 Ca 0.48 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 1j2j s VAL 120 Cb -0.28 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 32.86 1j2j s VAL 120 CO 0.35 -0.63 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.12 1j2j s LEU 121 N -4.28 2.13 -0.22 1.32 2.96 -0.57 -0.57 118.68 119.43 1j2j s LEU 121 Ca 0.45 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1j2j s LEU 121 Cb -0.10 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 1j2j s LEU 121 CO 0.38 -0.03 -0.05 -0.22 -1.32 0.00 0.00 176.35 175.11 1j2j s LEU 122 N 1.32 2.88 -0.21 -0.68 2.96 0.18 -0.95 118.68 124.19 1j2j s LEU 122 Ca 0.04 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 1j2j s LEU 122 Cb -0.14 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1j2j s LEU 122 CO -0.12 -0.03 0.13 -0.69 -1.32 0.00 0.00 176.35 174.33 1j2j s VAL 123 N 1.45 5.37 -0.30 1.68 1.01 0.57 -0.82 120.40 129.37 1j2j s VAL 123 Ca 0.05 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1j2j s VAL 123 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1j2j s VAL 123 CO -0.04 0.42 0.18 -0.36 0.00 0.00 0.00 175.10 175.30 1j2j s PHE 124 N 0.52 3.19 -0.98 5.22 2.99 -0.32 -0.81 117.98 127.79 1j2j s PHE 124 Ca 0.08 -0.29 -0.18 0.00 0.00 0.00 0.00 56.93 56.54 1j2j s PHE 124 Cb -0.12 -2.38 0.14 0.00 0.00 0.00 0.00 43.02 40.66 1j2j s PHE 124 CO -0.00 -0.35 1.18 0.00 -0.00 0.00 0.00 175.22 176.05 1j2j s ALA 125 N 1.68 3.49 0.62 5.36 0.00 -0.16 -0.90 121.76 131.86 1j2j s ALA 125 Ca 0.06 -2.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.09 1j2j s ALA 125 Cb -0.17 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 18.93 1j2j s ALA 125 CO 0.08 -2.94 0.91 1.21 0.00 0.00 0.00 175.76 175.03 1j2j s ASN 126 N 3.47 5.19 -0.98 0.00 2.47 -0.02 -1.16 114.94 123.92 1j2j s ASN 126 Ca 0.34 0.43 -0.05 0.00 0.42 0.00 0.00 52.86 54.01 1j2j s ASN 126 Cb -0.04 -1.26 0.01 0.00 -1.45 0.00 0.00 41.25 38.50 1j2j s ASN 126 CO -0.08 -1.30 0.63 0.29 -3.72 0.00 0.00 177.10 172.92 1j2j n LYS 127 N -2.66 -4.45 0.18 0.43 5.02 -1.01 -1.04 118.16 114.63 1j2j n LYS 127 Ca 0.07 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.07 1j2j n LYS 127 Cb 0.59 -4.82 0.62 0.00 -0.02 0.00 0.00 35.03 31.40 1j2j n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1j2j h GLN 128 N -1.43 0.00 0.00 1.97 1.08 -1.65 -2.33 115.11 112.75 1j2j h GLN 128 Ca -0.37 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1j2j h GLN 128 Cb 1.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1j2j h GLN 128 CO 0.38 0.00 -0.08 0.38 -0.95 0.00 0.00 178.83 178.56 1j2j h ASP 129 N 0.00 0.00 -3.58 1.46 3.04 -1.91 -3.45 116.42 111.98 1j2j h ASP 129 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 1j2j h ASP 129 Cb 0.24 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.55 1j2j h ASP 129 CO 0.00 0.08 0.54 -0.76 -2.04 0.00 0.00 179.24 177.05 1j2j s LEU 130 N -6.63 4.47 0.18 0.15 1.43 -0.88 -4.95 118.68 112.45 1j2j s LEU 130 Ca -0.01 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.10 1j2j s LEU 130 Cb 0.11 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.80 1j2j s LEU 130 CO 0.55 -0.32 1.57 -0.65 0.23 0.00 0.00 176.35 177.73 1j2j h PRO 131 N 4.83 -0.16 -2.16 1.29 0.11 -1.90 -2.38 132.00 131.63 1j2j h PRO 131 Ca -0.45 0.01 -0.75 0.00 0.11 0.00 0.00 66.00 64.92 1j2j h PRO 131 Cb 1.21 0.04 -0.31 0.00 0.11 0.00 0.00 31.00 32.05 1j2j h PRO 131 CO 0.72 -0.11 0.63 -1.71 -0.21 0.00 0.00 178.00 177.33 1j2j n ASN 132 N -5.41 6.72 -4.80 -2.05 4.05 -1.26 -4.99 115.26 107.52 1j2j n ASN 132 Ca 0.04 -3.72 -0.39 0.00 0.45 0.00 0.00 54.58 50.95 1j2j n ASN 132 Cb 0.35 -0.99 -0.06 0.00 1.23 0.00 0.00 39.78 40.31 1j2j n ASN 132 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j2j s ALA 133 N -4.08 3.54 0.42 5.20 0.00 -0.90 -4.64 121.76 121.30 1j2j s ALA 133 Ca 0.44 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 1j2j s ALA 133 Cb 0.27 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 1j2j s ALA 133 CO -0.20 0.36 1.17 -1.64 0.00 0.00 0.00 175.76 175.45 1j2j s MET 134 N -1.06 3.95 0.91 0.00 -1.94 -0.22 -4.96 119.30 115.99 1j2j s MET 134 Ca 0.31 1.81 -0.14 0.00 -1.71 0.00 0.00 55.69 55.97 1j2j s MET 134 Cb -0.20 -2.58 0.18 0.00 2.01 0.00 0.00 34.83 34.24 1j2j s MET 134 CO 0.21 -0.40 1.26 0.54 -0.01 0.00 0.00 175.02 176.63 1j2j s ASN 135 N -1.22 3.41 0.23 3.03 2.20 -1.26 -4.86 114.94 116.47 1j2j s ASN 135 Ca 0.59 0.23 -0.05 0.00 -0.94 0.00 0.00 52.86 52.70 1j2j s ASN 135 Cb -0.30 -0.36 0.22 0.00 -2.00 0.00 0.00 41.25 38.82 1j2j s ASN 135 CO 0.37 -2.54 1.70 0.00 -2.94 0.00 0.00 177.10 173.70 1j2j h ALA 136 N -1.44 0.98 -0.61 3.54 0.00 -1.96 -1.50 119.26 118.28 1j2j h ALA 136 Ca -0.43 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 1j2j h ALA 136 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1j2j h ALA 136 CO 0.41 0.62 0.04 0.00 0.00 0.00 0.00 179.25 180.32 1j2j h ALA 137 N 1.15 0.82 -0.56 0.00 0.00 -1.99 0.03 119.26 118.70 1j2j h ALA 137 Ca 0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1j2j h ALA 137 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1j2j h ALA 137 CO 0.03 0.63 0.08 1.49 0.00 0.00 0.00 179.25 181.47 1j2j h GLU 138 N 0.95 0.94 -0.77 0.00 4.81 -1.80 -1.84 114.58 116.88 1j2j h GLU 138 Ca 0.18 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1j2j h GLU 138 Cb 0.51 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1j2j h GLU 138 CO 0.02 0.91 0.27 0.82 -0.73 0.00 0.00 179.01 180.30 1j2j h ILE 139 N 0.84 1.26 -0.46 2.32 1.08 -1.12 0.56 117.51 121.98 1j2j h ILE 139 Ca 0.17 -0.89 0.07 0.00 -0.39 0.00 0.00 64.86 63.82 1j2j h ILE 139 Cb 0.43 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 1j2j h ILE 139 CO 0.01 0.35 0.12 0.74 -0.69 0.00 0.00 178.15 178.69 1j2j h THR 140 N 1.14 0.79 -0.16 -0.27 2.02 -0.72 0.08 112.91 115.79 1j2j h THR 140 Ca 0.25 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1j2j h THR 140 Cb 0.28 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1j2j h THR 140 CO -0.01 0.05 0.04 0.44 0.37 0.00 0.00 175.52 176.40 1j2j h ASP 141 N 0.27 0.25 -0.32 4.18 3.45 -0.79 -1.41 116.42 122.04 1j2j h ASP 141 Ca 0.22 -0.24 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 1j2j h ASP 141 Cb 0.26 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1j2j h ASP 141 CO -0.27 0.42 -0.04 0.11 -1.57 0.00 0.00 179.24 177.90 1j2j h LYS 142 N 0.06 0.70 0.00 3.56 1.79 -0.62 -2.16 116.57 119.90 1j2j h LYS 142 Ca 0.05 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1j2j h LYS 142 Cb 0.27 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1j2j h LYS 142 CO 0.00 0.74 -0.09 1.28 -1.08 0.00 0.00 179.45 180.30 1j2j n LEU 143 N -4.21 0.65 -1.62 2.94 4.77 -0.01 -4.89 117.00 114.63 1j2j n LEU 143 Ca 0.02 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1j2j n LEU 143 Cb 0.30 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1j2j n LEU 143 CO 0.41 -0.12 -0.10 0.61 -1.33 0.00 0.00 177.39 176.86 1j2j n GLY 144 N 1.35 -0.10 0.34 -0.72 0.00 -0.57 -4.92 105.19 100.56 1j2j n GLY 144 Ca 0.06 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1j2j n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j2j h LEU 145 N -0.33 0.51 -2.86 0.99 3.38 -1.73 -1.72 115.31 113.55 1j2j h LEU 145 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1j2j h LEU 145 Cb 1.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1j2j h LEU 145 CO 0.35 0.34 0.00 0.45 0.09 0.00 0.00 178.44 179.67 1j2j h HIS 146 N 0.59 0.00 -0.00 1.13 3.86 -1.91 -1.60 115.15 117.21 1j2j h HIS 146 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1j2j h HIS 146 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1j2j h HIS 146 CO -0.00 0.00 -0.18 0.43 0.86 0.00 0.00 177.93 179.04 1j2j n SER 147 N -3.07 0.39 -4.74 2.45 7.64 -0.65 -4.89 113.62 110.76 1j2j n SER 147 Ca -0.03 -0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.17 1j2j n SER 147 Cb 0.09 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 1j2j n SER 147 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1j2j s LEU 148 N -2.71 4.38 0.11 -3.43 1.43 -0.61 -5.01 118.68 112.85 1j2j s LEU 148 Ca 0.21 2.65 0.06 0.00 -1.03 0.00 0.00 54.13 56.02 1j2j s LEU 148 Cb 0.19 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1j2j s LEU 148 CO 0.54 -0.74 -0.01 -0.13 0.23 0.00 0.00 176.35 176.24 1j2j s ARG 149 N 0.10 2.47 -1.58 1.70 0.52 -1.26 -4.66 118.95 116.24 1j2j s ARG 149 Ca 0.63 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.77 1j2j s ARG 149 Cb -0.42 -2.47 0.10 0.00 0.52 0.00 0.00 34.95 32.68 1j2j s ARG 149 CO 0.40 0.51 0.90 0.72 0.02 0.00 0.00 175.30 177.85 1j2j n HIS 150 N 0.40 -2.10 -3.72 -0.53 8.25 -1.26 -4.95 115.22 111.31 1j2j n HIS 150 Ca -0.11 0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 58.08 1j2j n HIS 150 Cb 0.53 -3.66 -0.14 0.00 1.12 0.00 0.00 29.99 27.83 1j2j n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j2j s ARG 151 N -6.70 0.11 -0.12 -0.41 6.06 -1.26 -4.99 118.95 111.65 1j2j s ARG 151 Ca 0.65 0.49 -0.27 0.00 -2.50 0.00 0.00 55.73 54.10 1j2j s ARG 151 Cb -0.34 -0.17 -0.02 0.00 0.06 0.00 0.00 34.95 34.49 1j2j s ARG 151 CO 0.86 -0.21 0.89 -0.80 -2.50 0.00 0.00 175.30 173.55 1j2j s ASN 152 N 1.56 7.10 0.07 -2.12 0.02 -1.26 -5.01 114.94 115.31 1j2j s ASN 152 Ca -0.06 1.35 -0.05 0.00 -1.02 0.00 0.00 52.86 53.09 1j2j s ASN 152 Cb -0.11 -2.50 -0.02 0.00 0.02 0.00 0.00 41.25 38.64 1j2j s ASN 152 CO -0.07 -0.37 0.08 -1.66 0.02 0.00 0.00 177.10 175.11 1j2j s TRP 153 N 1.83 0.34 -0.06 2.20 1.48 -1.26 -1.52 118.94 121.96 1j2j s TRP 153 Ca 0.43 -0.83 -0.21 0.00 -1.06 0.00 0.00 56.10 54.44 1j2j s TRP 153 Cb -0.18 -0.22 0.04 0.00 -1.16 0.00 0.00 33.47 31.95 1j2j s TRP 153 CO 0.16 -0.47 0.47 -0.47 -4.06 0.00 0.00 176.95 172.58 1j2j s TYR 154 N -3.89 -0.40 -0.05 1.66 5.04 -0.12 -4.98 117.35 114.61 1j2j s TYR 154 Ca 0.06 0.74 0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1j2j s TYR 154 Cb 0.06 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 1j2j s TYR 154 CO -0.10 -0.44 -0.20 -1.50 -1.34 0.00 0.00 175.55 171.97 1j2j s ILE 155 N -1.01 1.61 -0.06 3.14 2.07 -1.26 -0.31 121.20 125.38 1j2j s ILE 155 Ca -0.10 -0.82 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 1j2j s ILE 155 Cb -0.03 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.20 1j2j s ILE 155 CO 0.06 0.46 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.88 1j2j s GLN 156 N -0.06 1.35 0.19 3.50 2.00 0.01 -4.96 119.66 121.70 1j2j s GLN 156 Ca -0.03 -0.27 -0.30 0.00 -2.00 0.00 0.00 55.36 52.76 1j2j s GLN 156 Cb -0.12 -1.23 -0.08 0.00 0.80 0.00 0.00 33.01 32.38 1j2j s GLN 156 CO 0.02 -0.06 1.23 0.00 -0.50 0.00 0.00 175.29 175.99 1j2j s ALA 157 N 0.92 3.46 0.06 1.58 0.00 -1.26 -0.99 121.76 125.53 1j2j s ALA 157 Ca -0.10 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1j2j s ALA 157 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1j2j s ALA 157 CO 0.01 -0.43 -0.05 0.95 0.00 0.00 0.00 175.76 176.24 1j2j s THR 158 N 0.02 0.44 -0.18 0.00 -4.23 -0.31 -4.23 115.64 107.16 1j2j s THR 158 Ca 0.54 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1j2j s THR 158 Cb -0.34 -1.21 0.06 0.00 1.34 0.00 0.00 72.50 72.35 1j2j s THR 158 CO 0.37 -0.76 0.03 0.00 -0.54 0.00 0.00 174.62 173.72 1j2j h ALA 160 N 8.24 0.68 -0.30 0.00 0.00 -1.92 0.24 119.26 126.20 1j2j h ALA 160 Ca -0.17 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1j2j h ALA 160 Cb 1.12 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1j2j h ALA 160 CO 0.33 -0.05 -0.28 1.15 0.00 0.00 0.00 179.25 180.41 1j2j h THR 161 N 0.55 0.32 0.00 0.00 2.02 -1.96 -1.97 112.91 111.87 1j2j h THR 161 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1j2j h THR 161 Cb 0.11 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1j2j h THR 161 CO -0.14 0.00 -0.40 0.77 0.37 0.00 0.00 175.52 176.11 1j2j h SER 162 N -0.26 0.00 0.00 4.18 4.64 -1.99 -3.47 113.55 116.65 1j2j h SER 162 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1j2j h SER 162 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1j2j h SER 162 CO -0.45 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 1j2j n GLY 163 N 1.20 0.96 3.72 -0.77 0.00 0.05 -5.02 105.19 105.33 1j2j n GLY 163 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1j2j n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2j n ASP 164 N 0.00 3.82 0.00 1.61 9.92 -1.09 -2.01 116.55 128.80 1j2j n ASP 164 Ca 0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1j2j n ASP 164 Cb 0.00 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 38.92 1j2j n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j2j n GLY 165 N 3.28 3.18 0.07 0.44 0.00 -1.26 -1.61 105.19 109.29 1j2j n GLY 165 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1j2j n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j2j h LEU 166 N 0.00 -0.05 -0.94 0.99 3.38 -1.70 -1.37 115.31 115.63 1j2j h LEU 166 Ca 0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1j2j h LEU 166 Cb 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1j2j h LEU 166 CO 0.00 0.18 -0.33 1.88 0.09 0.00 0.00 178.44 180.27 1j2j h TYR 167 N -0.28 0.00 -0.55 1.13 0.05 -1.91 -2.02 116.97 113.38 1j2j h TYR 167 Ca -0.01 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1j2j h TYR 167 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 1j2j h TYR 167 CO 0.00 0.33 0.08 0.93 -1.05 0.00 0.00 178.16 178.44 1j2j h GLU 168 N 0.00 0.89 -0.24 4.88 3.07 -1.88 0.22 114.58 121.52 1j2j h GLU 168 Ca -0.00 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 1j2j h GLU 168 Cb 0.87 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1j2j h GLU 168 CO 0.04 0.84 0.12 0.78 -1.40 0.00 0.00 179.01 179.39 1j2j h GLY 169 N 1.00 0.37 1.90 -3.84 0.00 -0.75 -2.05 103.07 99.69 1j2j h GLY 169 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1j2j h GLY 169 CO 0.01 0.17 -0.23 1.41 0.00 0.00 0.00 176.54 177.90 1j2j h LEU 170 N 0.27 0.12 -0.73 3.11 3.38 -0.81 -2.19 115.31 118.46 1j2j h LEU 170 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j2j h LEU 170 Cb 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1j2j h LEU 170 CO -0.01 0.36 0.34 0.44 0.09 0.00 0.00 178.44 179.67 1j2j h ASP 171 N 0.12 0.96 -0.22 -0.43 3.45 -0.23 0.77 116.42 120.84 1j2j h ASP 171 Ca 0.02 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 1j2j h ASP 171 Cb 0.48 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1j2j h ASP 171 CO 0.03 0.83 0.03 -0.25 -1.57 0.00 0.00 179.24 178.31 1j2j h TRP 172 N 1.02 0.40 -0.65 4.55 7.01 -0.83 -1.38 115.95 126.07 1j2j h TRP 172 Ca 0.25 -0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.25 1j2j h TRP 172 Cb 0.13 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 1j2j h TRP 172 CO 0.01 0.51 0.37 -0.07 -2.79 0.00 0.00 178.44 176.47 1j2j h LEU 173 N 0.17 0.55 -0.23 0.65 4.07 -1.13 -0.77 115.31 118.62 1j2j h LEU 173 Ca 0.07 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.07 1j2j h LEU 173 Cb 0.34 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1j2j h LEU 173 CO 0.01 0.36 0.10 -1.28 -1.08 0.00 0.00 178.44 176.54 1j2j h SER 174 N 0.68 0.13 -0.50 -0.43 0.87 -0.52 -1.64 113.55 112.14 1j2j h SER 174 Ca 0.29 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1j2j h SER 174 Cb 0.16 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1j2j h SER 174 CO -0.17 0.11 0.18 0.78 -0.53 0.00 0.00 176.83 177.20 1j2j h ASN 175 N 0.21 0.75 -0.54 6.23 2.35 -0.87 -0.98 115.58 122.75 1j2j h ASN 175 Ca 0.10 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1j2j h ASN 175 Cb 0.05 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1j2j h ASN 175 CO -0.09 0.71 0.32 1.56 -1.65 0.00 0.00 177.43 178.28 1j2j h GLN 176 N 0.80 0.74 -0.44 0.81 1.08 -0.70 -2.18 115.11 115.22 1j2j h GLN 176 Ca 0.19 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1j2j h GLN 176 Cb 0.22 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1j2j h GLN 176 CO -0.01 0.54 -0.04 1.25 -0.95 0.00 0.00 178.83 179.62 1j2j h LEU 177 N 0.72 0.79 -1.06 1.46 5.85 -0.78 -3.01 115.31 119.29 1j2j h LEU 177 Ca 0.19 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1j2j h LEU 177 Cb -0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1j2j h LEU 177 CO -0.04 0.93 0.61 0.03 -0.34 0.00 0.00 178.44 179.64 1j2j h ARG 178 N 0.64 1.24 -1.12 1.25 3.08 -1.04 -1.80 114.38 116.63 1j2j h ARG 178 Ca 0.12 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1j2j h ARG 178 Cb 0.55 -0.28 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 1j2j h ARG 178 CO 0.03 0.83 0.21 0.09 -1.07 0.00 0.00 179.97 180.06 1j2j n ASN 179 N -4.38 3.70 0.00 7.04 3.02 -0.84 -5.10 115.26 118.70 1j2j n ASN 179 Ca 0.11 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 1j2j n ASN 179 Cb 0.03 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1j2j n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64