#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s HIS 2 N 0.00 2.55 -0.21 1.12 3.76 -0.07 -4.34 115.29 118.10 1jj2 s HIS 2 Ca 0.00 -0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 1jj2 s HIS 2 Cb 0.00 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 1jj2 s HIS 2 CO 0.00 0.43 0.28 0.00 -0.85 0.00 0.00 174.74 174.60 1jj2 s ALA 3 N -1.34 3.59 -0.21 -1.40 0.00 0.11 -0.25 121.76 122.26 1jj2 s ALA 3 Ca 0.20 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1jj2 s ALA 3 Cb -0.10 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1jj2 s ALA 3 CO 0.12 -0.20 -0.00 -1.17 0.00 0.00 0.00 175.76 174.50 1jj2 s LEU 4 N 1.09 3.17 -0.11 0.00 0.20 0.14 -2.91 118.68 120.26 1jj2 s LEU 4 Ca 0.13 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.70 1jj2 s LEU 4 Cb -0.14 -1.81 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1jj2 s LEU 4 CO 0.06 0.03 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.34 1jj2 s VAL 5 N 1.22 1.30 -0.08 1.68 1.01 -0.06 -1.01 120.40 124.45 1jj2 s VAL 5 Ca 0.03 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1jj2 s VAL 5 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1jj2 s VAL 5 CO 0.01 0.41 1.13 -1.58 0.00 0.00 0.00 175.10 175.07 1jj2 s GLN 6 N 1.33 4.37 -0.00 2.72 0.74 -0.95 -0.76 119.66 127.10 1jj2 s GLN 6 Ca -0.01 1.57 0.06 0.00 0.05 0.00 0.00 55.36 57.03 1jj2 s GLN 6 Cb -0.14 -3.56 -0.07 0.00 1.10 0.00 0.00 33.01 30.35 1jj2 s GLN 6 CO -0.06 -0.42 0.25 1.28 -0.55 0.00 0.00 175.29 175.80 1jj2 n LEU 7 N 5.22 0.27 -4.18 3.68 4.77 -0.80 -0.13 117.00 125.84 1jj2 n LEU 7 Ca 0.10 -0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 1jj2 n LEU 7 Cb 0.47 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 1jj2 n LEU 7 CO 0.54 0.07 -0.53 -0.13 -1.33 0.00 0.00 177.39 176.01 1jj2 s ARG 8 N -1.59 2.23 1.07 3.23 0.52 -1.15 -4.92 118.95 118.33 1jj2 s ARG 8 Ca 0.02 -0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1jj2 s ARG 8 Cb 0.04 -1.86 0.23 0.00 0.52 0.00 0.00 34.95 33.89 1jj2 s ARG 8 CO 0.25 0.26 1.06 0.20 0.02 0.00 0.00 175.30 177.09 1jj2 s GLY 9 N 0.07 1.58 0.38 -3.53 0.00 -1.26 -4.92 107.32 99.64 1jj2 s GLY 9 Ca -0.07 -0.01 0.19 0.00 0.00 0.00 0.00 44.72 44.83 1jj2 s GLY 9 CO 0.04 0.61 1.73 1.05 0.00 0.00 0.00 173.10 176.53 1jj2 h GLU 10 N -2.27 0.00 -6.45 2.90 4.11 -1.98 -3.42 114.58 107.48 1jj2 h GLU 10 Ca -0.56 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.34 1jj2 h GLU 10 Cb 1.31 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.59 1jj2 h GLU 10 CO 0.50 0.36 1.10 0.08 0.07 0.00 0.00 179.01 181.13 1jj2 s VAL 11 N -3.59 2.84 0.00 -1.06 1.01 -1.26 -1.61 120.40 116.73 1jj2 s VAL 11 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1jj2 s VAL 11 Cb 0.11 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1jj2 s VAL 11 CO 0.68 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.37 1jj2 n ASN 12 N 6.13 -0.84 -4.82 3.32 3.02 -1.26 -5.02 115.26 115.79 1jj2 n ASN 12 Ca 0.18 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.37 1jj2 n ASN 12 Cb 0.40 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 1jj2 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj2 s MET 13 N -0.30 4.23 0.38 3.52 0.23 -0.63 -4.99 119.30 121.74 1jj2 s MET 13 Ca 0.00 0.84 -0.25 0.00 -1.03 0.00 0.00 55.69 55.25 1jj2 s MET 13 Cb 0.00 -2.89 -0.12 0.00 -1.53 0.00 0.00 34.83 30.29 1jj2 s MET 13 CO 0.00 0.40 0.82 0.72 -2.03 0.00 0.00 175.02 174.93 1jj2 n HIS 14 N 0.74 0.52 -0.17 3.16 8.25 -1.26 -4.79 115.22 121.67 1jj2 n HIS 14 Ca -0.03 0.63 -0.10 0.00 -0.26 0.00 0.00 57.72 57.96 1jj2 n HIS 14 Cb 0.51 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.49 1jj2 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1jj2 h THR 15 N 1.34 1.27 0.00 1.59 2.02 -1.96 -1.17 112.91 116.00 1jj2 h THR 15 Ca -0.41 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 1jj2 h THR 15 Cb 1.37 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1jj2 h THR 15 CO 0.56 0.40 -0.12 -2.24 0.37 0.00 0.00 175.52 174.48 1jj2 h ASP 16 N 0.74 0.00 0.68 4.18 2.03 -1.99 0.33 116.42 122.38 1jj2 h ASP 16 Ca 0.13 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.16 1jj2 h ASP 16 Cb 0.58 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 1jj2 h ASP 16 CO 0.03 0.12 -1.25 0.40 -1.03 0.00 0.00 179.24 177.52 1jj2 h ILE 17 N 0.00 1.48 -0.27 4.15 2.04 -1.83 -2.97 117.51 120.10 1jj2 h ILE 17 Ca -0.00 -3.09 -0.16 0.00 1.00 0.00 0.00 64.86 62.61 1jj2 h ILE 17 Cb 0.40 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1jj2 h ILE 17 CO 0.02 0.89 -0.45 -0.61 0.00 0.00 0.00 178.15 178.00 1jj2 h GLN 18 N 0.06 0.79 -0.06 2.37 4.15 -0.09 -2.73 115.11 119.59 1jj2 h GLN 18 Ca -0.13 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 58.76 1jj2 h GLN 18 Cb 1.94 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.67 1jj2 h GLN 18 CO 0.18 1.11 -0.20 -0.44 -1.93 0.00 0.00 178.83 177.55 1jj2 h ASP 19 N 0.54 0.08 -0.22 -0.69 3.32 -1.07 -2.02 116.42 116.37 1jj2 h ASP 19 Ca 0.02 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1jj2 h ASP 19 Cb 1.05 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1jj2 h ASP 19 CO 0.10 0.30 0.04 0.74 -1.72 0.00 0.00 179.24 178.70 1jj2 h THR 20 N 0.08 1.22 -0.48 0.35 2.02 -1.33 -0.24 112.91 114.53 1jj2 h THR 20 Ca 0.02 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1jj2 h THR 20 Cb 0.41 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1jj2 h THR 20 CO 0.03 0.23 0.23 -0.07 0.37 0.00 0.00 175.52 176.30 1jj2 h LEU 21 N 0.17 0.59 -1.01 2.58 3.38 -1.20 -1.58 115.31 118.24 1jj2 h LEU 21 Ca 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1jj2 h LEU 21 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jj2 h LEU 21 CO 0.00 0.51 -0.49 -0.33 0.09 0.00 0.00 178.44 178.23 1jj2 h GLU 22 N 0.67 0.00 0.00 1.13 5.08 -0.96 -0.09 114.58 120.40 1jj2 h GLU 22 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jj2 h GLU 22 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jj2 h GLU 22 CO -0.02 0.49 0.00 0.52 -1.00 0.00 0.00 179.01 179.00 1jj2 h MET 23 N 0.00 0.00 -0.57 2.33 2.86 -0.09 -2.32 114.93 117.14 1jj2 h MET 23 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jj2 h MET 23 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1jj2 h MET 23 CO 0.06 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.31 1jj2 n LEU 24 N -2.32 5.25 -1.38 1.22 4.77 -0.65 -4.94 117.00 118.95 1jj2 n LEU 24 Ca 0.04 -2.78 -0.17 0.00 -0.03 0.00 0.00 56.01 53.08 1jj2 n LEU 24 Cb 0.38 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1jj2 n LEU 24 CO 0.28 0.70 -0.17 0.59 -1.33 0.00 0.00 177.39 177.46 1jj2 n ASN 25 N 0.69 -5.02 -4.39 -1.43 3.02 -0.87 -4.83 115.26 102.43 1jj2 n ASN 25 Ca 0.27 0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.82 1jj2 n ASN 25 Cb 1.07 -4.01 -0.13 0.00 -0.61 0.00 0.00 39.78 36.09 1jj2 n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1jj2 s ILE 26 N -2.65 3.78 0.00 2.41 -4.36 -0.14 -4.71 121.20 115.52 1jj2 s ILE 26 Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 1jj2 s ILE 26 Cb 0.00 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.99 1jj2 s ILE 26 CO 0.00 0.41 0.69 1.41 0.24 0.00 0.00 174.94 177.69 1jj2 n HIS 27 N 4.55 0.00 -3.90 1.37 8.25 -1.26 -3.50 115.22 120.73 1jj2 n HIS 27 Ca -0.17 -0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 1jj2 n HIS 27 Cb 0.51 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 1jj2 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jj2 s HIS 28 N -0.45 0.27 0.40 4.41 3.76 -1.26 -5.08 115.29 117.34 1jj2 s HIS 28 Ca 0.00 -0.66 -0.25 0.00 -0.15 0.00 0.00 55.06 54.00 1jj2 s HIS 28 Cb 0.00 -0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.56 1jj2 s HIS 28 CO 0.00 -0.64 1.15 0.08 -0.85 0.00 0.00 174.74 174.47 1jj2 s VAL 29 N -3.92 3.25 0.00 -0.90 1.01 -1.26 -2.73 120.40 115.85 1jj2 s VAL 29 Ca 0.11 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1jj2 s VAL 29 Cb 0.04 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1jj2 s VAL 29 CO -0.05 0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.71 1jj2 n ASN 30 N 0.01 -1.32 -4.77 3.32 3.02 0.81 -4.95 115.26 111.37 1jj2 n ASN 30 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1jj2 n ASN 30 Cb 0.47 -0.88 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1jj2 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jj2 s HIS 31 N -2.70 3.87 0.11 3.10 3.76 -1.11 -2.22 115.29 120.10 1jj2 s HIS 31 Ca 0.00 1.58 0.09 0.00 -0.15 0.00 0.00 55.06 56.59 1jj2 s HIS 31 Cb 0.00 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 1jj2 s HIS 31 CO 0.00 0.47 -0.24 0.00 -0.85 0.00 0.00 174.74 174.12 1jj2 s THR 33 N -1.06 0.18 -0.18 0.00 -1.32 -0.18 0.11 115.64 113.18 1jj2 s THR 33 Ca 0.10 -1.65 -0.04 0.00 -1.21 0.00 0.00 61.69 58.89 1jj2 s THR 33 Cb -0.10 -1.54 -0.02 0.00 -1.51 0.00 0.00 72.50 69.33 1jj2 s THR 33 CO 0.05 -0.84 -0.02 -0.76 -2.21 0.00 0.00 174.62 170.84 1jj2 s LEU 34 N -2.92 3.19 -0.09 9.08 1.43 -1.26 0.26 118.68 128.37 1jj2 s LEU 34 Ca 0.09 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1jj2 s LEU 34 Cb 0.07 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1jj2 s LEU 34 CO -0.09 0.10 -0.15 0.54 0.23 0.00 0.00 176.35 176.98 1jj2 s VAL 35 N 0.80 1.41 0.58 -1.59 0.11 0.66 -4.95 120.40 117.42 1jj2 s VAL 35 Ca -0.01 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.22 1jj2 s VAL 35 Cb -0.14 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1jj2 s VAL 35 CO 0.02 0.42 1.19 -2.65 -3.33 0.00 0.00 175.10 170.75 1jj2 n PRO 36 N 3.93 1.28 -3.00 1.54 -0.02 -1.26 -0.89 135.00 136.58 1jj2 n PRO 36 Ca -0.21 0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 61.31 1jj2 n PRO 36 Cb 0.52 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1jj2 n PRO 36 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jj2 s GLU 37 N -2.88 3.78 0.40 -0.52 2.02 -1.26 -4.73 118.70 115.51 1jj2 s GLU 37 Ca 0.75 -2.17 0.06 0.00 0.02 0.00 0.00 54.97 53.62 1jj2 s GLU 37 Cb -0.42 -4.88 -0.07 0.00 0.10 0.00 0.00 34.13 28.86 1jj2 s GLU 37 CO 0.47 -1.68 0.02 0.99 0.02 0.00 0.00 175.26 175.08 1jj2 s THR 38 N 1.83 1.73 0.08 3.63 2.01 -1.26 -4.96 115.64 118.69 1jj2 s THR 38 Ca 0.34 -2.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.13 1jj2 s THR 38 Cb -0.05 -2.89 -0.10 0.00 0.01 0.00 0.00 72.50 69.47 1jj2 s THR 38 CO -0.07 0.00 1.58 0.44 -0.69 0.00 0.00 174.62 175.88 1jj2 h ASP 39 N 1.83 0.26 -0.41 3.53 3.32 -1.98 0.16 116.42 123.13 1jj2 h ASP 39 Ca -0.43 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.44 1jj2 h ASP 39 Cb 1.25 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1jj2 h ASP 39 CO 0.77 0.41 0.19 0.00 -1.72 0.00 0.00 179.24 178.89 1jj2 h ALA 40 N 0.86 0.50 -0.07 3.45 0.00 -1.97 -2.19 119.26 119.85 1jj2 h ALA 40 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1jj2 h ALA 40 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jj2 h ALA 40 CO -0.00 -0.18 -0.62 1.88 0.00 0.00 0.00 179.25 180.33 1jj2 h TYR 41 N 0.38 0.31 -0.55 0.00 -1.99 -1.83 -3.19 116.97 110.11 1jj2 h TYR 41 Ca 0.18 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1jj2 h TYR 41 Cb 0.11 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1jj2 h TYR 41 CO -0.11 0.80 0.30 -0.09 -0.00 0.00 0.00 178.16 179.06 1jj2 h ARG 42 N 0.18 0.76 -0.78 4.88 2.43 -0.19 -1.92 114.38 119.73 1jj2 h ARG 42 Ca -0.01 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1jj2 h ARG 42 Cb 1.13 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1jj2 h ARG 42 CO 0.10 0.58 0.34 0.78 -1.51 0.00 0.00 179.97 180.25 1jj2 h GLY 43 N 0.73 1.23 0.98 2.80 0.00 -1.44 -1.82 103.07 105.54 1jj2 h GLY 43 Ca 0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1jj2 h GLY 43 CO -0.03 0.60 0.24 -0.33 0.00 0.00 0.00 176.54 177.03 1jj2 h MET 44 N 1.12 0.75 0.00 4.80 2.86 -1.45 -1.93 114.93 121.09 1jj2 h MET 44 Ca 0.26 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1jj2 h MET 44 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1jj2 h MET 44 CO -0.03 0.62 -0.44 -0.39 1.06 0.00 0.00 176.91 177.73 1jj2 h VAL 45 N 0.69 1.13 -0.42 -2.22 -1.51 -1.11 -2.51 116.25 110.29 1jj2 h VAL 45 Ca 0.18 -1.63 -0.13 0.00 -1.23 0.00 0.00 66.70 63.89 1jj2 h VAL 45 Cb 0.13 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1jj2 h VAL 45 CO -0.02 0.44 -0.26 0.00 -1.23 0.00 0.00 177.57 176.50 1jj2 h ALA 46 N 1.56 0.74 -0.22 5.19 0.00 -0.95 0.73 119.26 126.30 1jj2 h ALA 46 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1jj2 h ALA 46 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jj2 h ALA 46 CO 0.06 0.66 -0.24 -0.22 0.00 0.00 0.00 179.25 179.51 1jj2 h LYS 47 N 0.76 0.41 -0.01 0.00 3.64 -1.13 -2.68 116.57 117.57 1jj2 h LYS 47 Ca 0.09 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1jj2 h LYS 47 Cb 0.81 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1jj2 h LYS 47 CO 0.07 0.63 -0.32 0.28 -2.27 0.00 0.00 179.45 177.83 1jj2 n VAL 48 N -4.14 0.00 -0.30 2.00 0.31 -0.97 -4.57 118.33 110.66 1jj2 n VAL 48 Ca -0.00 -0.10 0.27 0.00 -0.01 0.00 0.00 64.34 64.50 1jj2 n VAL 48 Cb 0.38 0.40 0.48 0.00 -0.91 0.00 0.00 33.84 34.19 1jj2 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jj2 n ASN 49 N -0.82 0.21 -0.33 4.52 2.85 0.23 -1.05 115.26 120.87 1jj2 n ASN 49 Ca 0.11 1.15 0.14 0.00 -0.11 0.00 0.00 54.58 55.86 1jj2 n ASN 49 Cb 0.35 -0.56 0.58 0.00 1.24 0.00 0.00 39.78 41.39 1jj2 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1jj2 n ASP 50 N -4.44 1.08 -0.32 1.20 8.00 -1.26 -3.33 116.55 117.47 1jj2 n ASP 50 Ca 0.30 -1.23 0.06 0.00 0.71 0.00 0.00 54.79 54.63 1jj2 n ASP 50 Cb 1.08 0.01 0.09 0.00 -0.02 0.00 0.00 41.12 42.28 1jj2 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jj2 n PHE 51 N -0.26 0.00 -4.07 1.24 3.01 -0.22 -4.93 117.46 112.22 1jj2 n PHE 51 Ca 0.18 -0.63 -0.10 0.00 1.01 0.00 0.00 57.45 57.91 1jj2 n PHE 51 Cb 0.31 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1jj2 n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1jj2 s VAL 52 N -1.70 0.01 -0.07 -4.37 0.11 -1.22 -1.89 120.40 111.26 1jj2 s VAL 52 Ca 0.20 -1.64 0.03 0.00 -2.93 0.00 0.00 61.98 57.65 1jj2 s VAL 52 Cb 0.19 -2.29 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 1jj2 s VAL 52 CO 0.00 -0.02 -0.17 0.00 -3.33 0.00 0.00 175.10 171.58 1jj2 s ALA 53 N -4.07 1.57 0.07 1.54 0.00 0.06 -0.92 121.76 120.02 1jj2 s ALA 53 Ca 0.28 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 1jj2 s ALA 53 Cb 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1jj2 s ALA 53 CO 0.10 0.20 0.23 -0.59 0.00 0.00 0.00 175.76 175.69 1jj2 s PHE 54 N 0.44 0.05 0.00 0.00 -0.12 -0.93 -0.88 117.98 116.54 1jj2 s PHE 54 Ca -0.14 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1jj2 s PHE 54 Cb -0.16 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.24 1jj2 s PHE 54 CO 0.05 -0.53 0.00 0.41 -0.05 0.00 0.00 175.22 175.10 1jj2 n GLY 55 N 0.19 0.89 3.61 1.99 0.00 -1.15 0.54 105.19 111.26 1jj2 n GLY 55 Ca -0.17 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1jj2 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jj2 s GLU 56 N -2.00 3.96 0.60 1.61 2.12 -1.26 0.05 118.70 123.77 1jj2 s GLU 56 Ca 0.00 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 1jj2 s GLU 56 Cb 0.00 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1jj2 s GLU 56 CO 0.00 -0.56 0.97 -1.25 -0.54 0.00 0.00 175.26 173.88 1jj2 s PRO 57 N 2.67 3.45 0.61 4.30 0.04 -1.26 -4.17 135.00 140.63 1jj2 s PRO 57 Ca 0.27 0.53 -0.10 0.00 0.04 0.00 0.00 61.00 61.73 1jj2 s PRO 57 Cb -0.15 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1jj2 s PRO 57 CO 0.11 -0.55 1.01 -1.54 0.04 0.00 0.00 177.00 176.07 1jj2 s SER 58 N -4.19 6.22 0.19 6.66 1.04 -1.26 -4.89 113.70 117.46 1jj2 s SER 58 Ca 0.53 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.21 1jj2 s SER 58 Cb -0.11 -2.44 0.22 0.00 0.10 0.00 0.00 66.02 63.79 1jj2 s SER 58 CO 0.51 -0.85 1.70 -0.61 0.98 0.00 0.00 173.24 174.96 1jj2 h GLN 59 N -0.28 0.18 0.73 4.02 5.75 -1.97 -2.00 115.11 121.54 1jj2 h GLN 59 Ca -0.44 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.02 1jj2 h GLN 59 Cb 1.19 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1jj2 h GLN 59 CO 0.62 0.12 -0.50 0.93 -2.65 0.00 0.00 178.83 177.35 1jj2 h GLU 60 N 0.18 -1.13 -0.58 1.69 5.08 -1.99 -2.22 114.58 115.61 1jj2 h GLU 60 Ca 0.27 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.83 1jj2 h GLU 60 Cb 0.40 0.26 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 1jj2 h GLU 60 CO -0.39 -0.75 -0.10 1.15 -1.00 0.00 0.00 179.01 177.92 1jj2 h THR 61 N -1.17 0.44 -1.00 1.13 2.02 -1.90 0.96 112.91 113.40 1jj2 h THR 61 Ca -0.10 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1jj2 h THR 61 Cb 0.95 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1jj2 h THR 61 CO 0.07 0.01 0.64 0.25 0.37 0.00 0.00 175.52 176.85 1jj2 h LEU 62 N 0.03 1.02 -0.66 2.58 5.85 -1.28 -0.79 115.31 122.06 1jj2 h LEU 62 Ca 0.29 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 1jj2 h LEU 62 Cb 0.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1jj2 h LEU 62 CO -0.57 0.63 0.15 -0.33 -0.34 0.00 0.00 178.44 177.98 1jj2 h GLU 63 N 1.14 1.06 -0.19 1.25 5.08 -0.24 0.37 114.58 123.06 1jj2 h GLU 63 Ca 0.44 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1jj2 h GLU 63 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jj2 h GLU 63 CO -0.19 0.96 0.06 1.15 -1.00 0.00 0.00 179.01 179.99 1jj2 h THR 64 N 0.99 1.19 -0.35 1.13 2.02 -0.14 -1.03 112.91 116.72 1jj2 h THR 64 Ca 0.21 -0.60 -0.15 0.00 0.77 0.00 0.00 66.41 66.64 1jj2 h THR 64 Cb 0.38 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1jj2 h THR 64 CO 0.00 0.19 -0.39 0.58 0.37 0.00 0.00 175.52 176.27 1jj2 h VAL 65 N 0.13 1.28 0.02 3.16 2.07 -1.06 -0.67 116.25 121.18 1jj2 h VAL 65 Ca 0.06 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1jj2 h VAL 65 Cb 0.24 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1jj2 h VAL 65 CO -0.00 0.52 -0.01 -0.07 0.02 0.00 0.00 177.57 178.03 1jj2 h LEU 66 N 0.68 -0.02 0.09 2.57 3.38 -0.16 0.63 115.31 122.49 1jj2 h LEU 66 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jj2 h LEU 66 Cb 0.96 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1jj2 h LEU 66 CO 0.09 0.02 -0.06 0.00 0.09 0.00 0.00 178.44 178.57 1jj2 h ALA 67 N 0.93 -0.15 -0.37 1.53 0.00 -1.13 -0.90 119.26 119.16 1jj2 h ALA 67 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1jj2 h ALA 67 Cb 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jj2 h ALA 67 CO 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 179.25 178.32 1jj2 h THR 68 N -0.16 1.28 0.00 0.00 1.03 -0.95 -3.39 112.91 110.73 1jj2 h THR 68 Ca -0.01 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.88 1jj2 h THR 68 Cb 0.14 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1jj2 h THR 68 CO 0.00 0.50 -0.06 0.54 -0.01 0.00 0.00 175.52 176.49 1jj2 n ARG 69 N -4.12 1.32 -3.23 0.00 5.12 0.22 -5.03 116.66 110.94 1jj2 n ARG 69 Ca -0.02 -2.17 -0.34 0.00 -1.93 0.00 0.00 57.85 53.39 1jj2 n ARG 69 Cb 0.52 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.49 1jj2 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jj2 s ALA 70 N -2.17 3.44 0.06 7.54 0.00 -0.34 -3.97 121.76 126.31 1jj2 s ALA 70 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1jj2 s ALA 70 Cb 0.20 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1jj2 s ALA 70 CO 0.02 0.39 -0.05 -1.21 0.00 0.00 0.00 175.76 174.91 1jj2 s GLU 71 N -2.54 0.59 0.92 0.00 2.02 -1.26 -4.04 118.70 114.38 1jj2 s GLU 71 Ca 0.47 -1.00 -0.12 0.00 0.02 0.00 0.00 54.97 54.34 1jj2 s GLU 71 Cb -0.13 -0.06 0.14 0.00 0.10 0.00 0.00 34.13 34.18 1jj2 s GLU 71 CO 0.19 -0.03 1.09 -2.14 0.02 0.00 0.00 175.26 174.40 1jj2 s PRO 72 N -2.75 1.09 0.44 0.39 0.02 -1.26 -0.46 135.00 132.47 1jj2 s PRO 72 Ca -0.01 0.69 0.15 0.00 0.02 0.00 0.00 61.00 61.85 1jj2 s PRO 72 Cb -0.01 -1.80 1.07 0.00 0.02 0.00 0.00 34.50 33.78 1jj2 s PRO 72 CO -0.04 -2.33 1.98 -0.07 -0.33 0.00 0.00 177.00 176.22 1jj2 h LEU 73 N -1.61 0.33 -7.47 -5.54 4.07 -1.52 -3.28 115.31 100.29 1jj2 h LEU 73 Ca -0.51 0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.22 1jj2 h LEU 73 Cb 1.30 -0.06 -0.31 0.00 1.08 0.00 0.00 40.66 42.67 1jj2 h LEU 73 CO 0.56 0.20 -0.61 -1.61 -1.08 0.00 0.00 178.44 175.90 1jj2 s GLU 74 N -5.35 0.09 0.00 1.13 2.02 -1.26 -4.79 118.70 110.54 1jj2 s GLU 74 Ca -0.07 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1jj2 s GLU 74 Cb 0.20 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1jj2 s GLU 74 CO 0.75 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1jj2 n GLY 75 N 3.99 1.21 0.09 -1.39 0.00 -1.26 -4.83 105.19 103.00 1jj2 n GLY 75 Ca -0.24 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.54 1jj2 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jj2 h ASP 76 N 0.00 0.31 0.00 1.61 3.32 -2.01 -3.40 116.42 116.25 1jj2 h ASP 76 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1jj2 h ASP 76 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1jj2 h ASP 76 CO 0.00 1.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.77 1jj2 n ALA 77 N -2.48 -0.33 -1.88 3.45 0.00 -1.26 -4.85 120.51 113.16 1jj2 n ALA 77 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1jj2 n ALA 77 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.40 1jj2 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jj2 s ASP 78 N 0.00 7.36 -0.98 0.00 -0.00 -1.26 -4.42 116.67 117.37 1jj2 s ASP 78 Ca 0.00 2.12 -0.14 0.00 -0.00 0.00 0.00 52.55 54.53 1jj2 s ASP 78 Cb 0.00 -2.61 0.21 0.00 -0.00 0.00 0.00 42.92 40.51 1jj2 s ASP 78 CO 0.00 -0.10 1.04 -0.69 -0.00 0.00 0.00 175.17 175.42 1jj2 s VAL 79 N -0.81 5.43 0.49 -1.27 1.01 -1.26 -4.74 120.40 119.25 1jj2 s VAL 79 Ca 0.45 -2.55 0.06 0.00 0.00 0.00 0.00 61.98 59.94 1jj2 s VAL 79 Cb -0.29 -4.64 0.06 0.00 0.00 0.00 0.00 36.38 31.50 1jj2 s VAL 79 CO 0.37 -1.27 0.47 -0.90 0.00 0.00 0.00 175.10 173.76 1jj2 n ASP 80 N 4.47 2.30 -0.12 3.32 5.68 -1.26 -4.40 116.55 126.53 1jj2 n ASP 80 Ca 0.22 -2.54 -0.05 0.00 -0.50 0.00 0.00 54.79 51.93 1jj2 n ASP 80 Cb 0.45 -0.14 0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1jj2 n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1jj2 h ASP 81 N 0.41 -0.38 -0.31 -1.12 3.32 -1.94 0.17 116.42 116.57 1jj2 h ASP 81 Ca -0.28 0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1jj2 h ASP 81 Cb 1.10 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 1jj2 h ASP 81 CO 0.43 -0.14 0.12 -0.08 -1.72 0.00 0.00 179.24 177.85 1jj2 h GLU 82 N -0.00 0.25 -0.13 3.56 4.81 -1.96 0.88 114.58 121.99 1jj2 h GLU 82 Ca 0.20 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1jj2 h GLU 82 Cb 0.30 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1jj2 h GLU 82 CO -0.42 0.17 -0.13 2.35 -0.73 0.00 0.00 179.01 180.25 1jj2 h TRP 83 N 0.26 -0.32 -0.75 0.92 7.01 -1.67 0.39 115.95 121.79 1jj2 h TRP 83 Ca 0.14 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.26 1jj2 h TRP 83 Cb 0.09 0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.24 1jj2 h TRP 83 CO -0.13 -0.19 0.38 0.28 -2.79 0.00 0.00 178.44 176.00 1jj2 h VAL 84 N -0.15 0.84 -0.24 2.65 2.07 -0.46 0.45 116.25 121.41 1jj2 h VAL 84 Ca 0.09 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1jj2 h VAL 84 Cb 0.28 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1jj2 h VAL 84 CO -0.22 0.12 -0.37 0.00 0.02 0.00 0.00 177.57 177.11 1jj2 h ALA 85 N 1.45 0.37 -0.00 1.67 0.00 0.04 0.90 119.26 123.70 1jj2 h ALA 85 Ca 0.37 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jj2 h ALA 85 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jj2 h ALA 85 CO -0.28 0.45 -0.01 0.39 0.00 0.00 0.00 179.25 179.80 1jj2 n GLU 86 N -4.23 0.85 0.00 0.00 1.02 0.13 -4.17 120.64 114.24 1jj2 n GLU 86 Ca -0.05 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1jj2 n GLU 86 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1jj2 n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jj2 n HIS 87 N -1.00 0.00 -4.24 -0.32 8.25 0.10 -5.05 115.22 112.97 1jj2 n HIS 87 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 1jj2 n HIS 87 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1jj2 n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1jj2 n THR 88 N -0.66 0.00 0.16 1.59 -1.04 0.31 -4.88 114.28 109.76 1jj2 n THR 88 Ca 0.00 -1.58 0.06 0.00 -2.04 0.00 0.00 64.05 60.49 1jj2 n THR 88 Cb 0.00 0.14 0.07 0.00 -1.82 0.00 0.00 70.33 68.72 1jj2 n THR 88 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1jj2 h ASP 89 N 0.69 0.00 -3.64 8.00 3.32 -1.90 -3.45 116.42 119.43 1jj2 h ASP 89 Ca -0.27 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.32 1jj2 h ASP 89 Cb 0.87 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.49 1jj2 h ASP 89 CO 0.44 0.32 0.20 -0.31 -1.72 0.00 0.00 179.24 178.17 1jj2 s TYR 90 N -3.05 3.00 -0.94 4.55 1.51 -1.26 -5.02 117.35 116.14 1jj2 s TYR 90 Ca 0.05 0.46 0.21 0.00 -1.01 0.00 0.00 57.07 56.78 1jj2 s TYR 90 Cb 0.07 -3.04 -0.23 0.00 -0.11 0.00 0.00 41.96 38.64 1jj2 s TYR 90 CO 0.72 -1.22 0.87 -0.25 -1.11 0.00 0.00 175.55 174.56 1jj2 n ASP 91 N -2.79 0.94 -3.72 2.29 8.00 -1.26 -4.00 116.55 116.00 1jj2 n ASP 91 Ca 0.07 -0.94 -0.03 0.00 0.71 0.00 0.00 54.79 54.60 1jj2 n ASP 91 Cb 0.60 1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 42.74 1jj2 n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1jj2 s ASP 92 N -3.06 -0.18 0.21 -2.24 -4.77 -1.26 -4.23 116.67 101.14 1jj2 s ASP 92 Ca 0.07 -0.35 -0.10 0.00 -3.30 0.00 0.00 52.55 48.86 1jj2 s ASP 92 Cb 0.16 0.45 0.29 0.00 -1.09 0.00 0.00 42.92 42.73 1jj2 s ASP 92 CO 0.86 -0.83 1.68 0.40 0.70 0.00 0.00 175.17 177.98 1jj2 h ILE 93 N 2.00 0.55 -0.76 2.11 2.04 -1.85 -1.11 117.51 120.49 1jj2 h ILE 93 Ca -0.24 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.69 1jj2 h ILE 93 Cb 1.23 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 1jj2 h ILE 93 CO 0.26 0.03 0.34 0.28 0.00 0.00 0.00 178.15 179.06 1jj2 h SER 94 N 0.16 0.39 -0.80 1.72 0.02 -1.96 0.39 113.55 113.47 1jj2 h SER 94 Ca 0.32 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1jj2 h SER 94 Cb 0.50 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1jj2 h SER 94 CO -0.48 0.18 0.33 1.23 -1.14 0.00 0.00 176.83 176.95 1jj2 h GLY 95 N 0.53 1.28 0.72 -3.77 0.00 -1.62 -0.71 103.07 99.50 1jj2 h GLY 95 Ca 0.40 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1jj2 h GLY 95 CO -0.35 0.65 -0.06 -2.00 0.00 0.00 0.00 176.54 174.78 1jj2 h LEU 96 N 1.16 0.27 -0.23 3.11 5.85 -0.59 -2.41 115.31 122.47 1jj2 h LEU 96 Ca 0.27 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1jj2 h LEU 96 Cb 0.20 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1jj2 h LEU 96 CO -0.02 0.61 -0.26 0.00 -0.34 0.00 0.00 178.44 178.43 1jj2 h ALA 97 N 0.66 -0.19 -0.73 1.25 0.00 -0.05 -0.24 119.26 119.96 1jj2 h ALA 97 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1jj2 h ALA 97 Cb 0.51 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1jj2 h ALA 97 CO 0.02 -0.70 0.40 0.35 0.00 0.00 0.00 179.25 179.32 1jj2 h PHE 98 N -0.28 0.73 -0.81 0.00 3.57 -1.11 -0.17 116.94 118.86 1jj2 h PHE 98 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1jj2 h PHE 98 Cb 0.48 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1jj2 h PHE 98 CO -0.41 0.32 0.38 0.00 -2.23 0.00 0.00 178.31 176.38 1jj2 h ALA 99 N 1.39 1.04 0.24 2.41 0.00 -0.80 -0.12 119.26 123.43 1jj2 h ALA 99 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jj2 h ALA 99 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jj2 h ALA 99 CO -0.22 0.62 -0.12 -0.07 0.00 0.00 0.00 179.25 179.47 1jj2 h LEU 100 N 1.15 -0.28 -1.06 0.00 3.38 -0.24 0.23 115.31 118.49 1jj2 h LEU 100 Ca 0.28 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1jj2 h LEU 100 Cb 0.13 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1jj2 h LEU 100 CO -0.03 -0.03 0.62 -0.07 0.09 0.00 0.00 178.44 179.02 1jj2 h LEU 101 N -0.52 0.90 -1.08 1.67 3.38 -0.86 0.41 115.31 119.21 1jj2 h LEU 101 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jj2 h LEU 101 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jj2 h LEU 101 CO 0.05 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 177.54 1jj2 n SER 102 N -4.58 1.51 -4.12 -0.43 3.41 -0.08 -4.22 113.62 105.11 1jj2 n SER 102 Ca 0.18 -2.08 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 1jj2 n SER 102 Cb 0.34 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1jj2 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jj2 n GLU 103 N 0.13 -3.06 0.04 4.33 1.02 0.14 -4.86 120.64 118.39 1jj2 n GLU 103 Ca 0.07 0.36 0.10 0.00 -0.02 0.00 0.00 57.16 57.68 1jj2 n GLU 103 Cb 0.29 -4.75 -0.09 0.00 -0.02 0.00 0.00 31.44 26.87 1jj2 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1jj2 n GLU 104 N -4.41 0.64 -2.25 3.49 4.07 0.77 -5.01 120.64 117.92 1jj2 n GLU 104 Ca -0.12 -0.04 -0.04 0.00 -0.06 0.00 0.00 57.16 56.90 1jj2 n GLU 104 Cb 0.59 -1.66 -0.00 0.00 -0.06 0.00 0.00 31.44 30.30 1jj2 n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1jj2 n THR 105 N -2.47 0.00 -3.92 6.31 5.66 -1.23 -5.03 114.28 113.59 1jj2 n THR 105 Ca -0.03 -0.53 -0.09 0.00 -3.05 0.00 0.00 64.05 60.35 1jj2 n THR 105 Cb 0.59 0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 69.64 1jj2 n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jj2 s THR 106 N -2.60 0.14 0.29 1.09 -4.23 -1.26 -4.63 115.64 104.44 1jj2 s THR 106 Ca 0.09 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1jj2 s THR 106 Cb -0.01 -1.09 0.29 0.00 1.34 0.00 0.00 72.50 73.03 1jj2 s THR 106 CO 0.06 -0.65 1.72 -0.07 -0.54 0.00 0.00 174.62 175.15 1jj2 h LEU 107 N 3.34 0.50 0.08 4.79 3.38 -1.91 -1.15 115.31 124.34 1jj2 h LEU 107 Ca -0.33 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1jj2 h LEU 107 Cb 1.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1jj2 h LEU 107 CO 0.53 0.09 -0.04 0.03 0.09 0.00 0.00 178.44 179.15 1jj2 h ARG 108 N 0.52 -0.11 -0.97 1.13 3.08 -1.83 0.50 114.38 116.70 1jj2 h ARG 108 Ca 0.57 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.90 1jj2 h ARG 108 Cb 1.01 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1jj2 h ARG 108 CO -0.47 0.13 0.69 0.93 -1.07 0.00 0.00 179.97 180.19 1jj2 h GLU 109 N -0.34 0.05 -0.76 0.04 5.08 -1.54 0.33 114.58 117.44 1jj2 h GLU 109 Ca -0.01 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1jj2 h GLU 109 Cb 0.29 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.40 1jj2 h GLU 109 CO 0.02 0.03 0.28 1.04 -1.00 0.00 0.00 179.01 179.38 1jj2 n GLN 110 N -4.29 3.78 -2.08 2.33 1.13 -0.91 -4.92 117.38 112.42 1jj2 n GLN 110 Ca 0.21 -3.11 -0.14 0.00 -1.94 0.00 0.00 57.00 52.02 1jj2 n GLN 110 Cb 1.01 -2.23 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 1jj2 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jj2 n GLY 111 N -0.14 0.15 3.47 1.08 0.00 0.12 -4.75 105.19 105.12 1jj2 n GLY 111 Ca 0.42 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1jj2 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jj2 s LEU 112 N -3.94 2.63 0.32 0.99 1.43 0.17 -1.49 118.68 118.78 1jj2 s LEU 112 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1jj2 s LEU 112 Cb 0.00 -1.52 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 1jj2 s LEU 112 CO 0.00 0.22 1.51 -0.24 0.23 0.00 0.00 176.35 178.07 1jj2 n SER 113 N 1.22 3.58 0.00 2.29 2.88 0.39 -2.91 113.62 121.06 1jj2 n SER 113 Ca -0.16 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 1jj2 n SER 113 Cb 0.52 -1.57 0.42 0.00 -0.75 0.00 0.00 64.21 62.84 1jj2 n SER 113 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jj2 n PRO 114 N 1.49 0.40 -5.08 -1.46 -0.02 -1.26 -4.70 135.00 124.36 1jj2 n PRO 114 Ca 0.06 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1jj2 n PRO 114 Cb 0.37 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.19 1jj2 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jj2 s THR 115 N -2.16 2.42 -0.41 3.45 2.01 -1.26 -4.42 115.64 115.27 1jj2 s THR 115 Ca 0.20 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1jj2 s THR 115 Cb 0.10 -1.95 0.04 0.00 0.01 0.00 0.00 72.50 70.70 1jj2 s THR 115 CO 0.19 0.55 0.28 -0.76 -0.69 0.00 0.00 174.62 174.19 1jj2 s LEU 116 N 0.14 5.05 -0.90 4.42 1.43 0.29 -4.70 118.68 124.43 1jj2 s LEU 116 Ca -0.11 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 1jj2 s LEU 116 Cb -0.16 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.02 1jj2 s LEU 116 CO 0.06 -0.47 1.36 -0.13 0.23 0.00 0.00 176.35 177.40 1jj2 s ARG 117 N 1.60 3.42 0.92 1.70 0.52 -1.25 -0.42 118.95 125.43 1jj2 s ARG 117 Ca 0.03 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 1jj2 s ARG 117 Cb -0.20 -4.85 0.14 0.00 0.52 0.00 0.00 34.95 30.55 1jj2 s ARG 117 CO 0.07 -2.16 1.12 -0.51 0.02 0.00 0.00 175.30 173.85 1jj2 s LEU 118 N 5.15 1.99 0.21 2.53 1.43 -0.94 -4.93 118.68 124.12 1jj2 s LEU 118 Ca 0.40 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 1jj2 s LEU 118 Cb -0.04 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1jj2 s LEU 118 CO 0.00 -2.62 0.32 -2.28 0.23 0.00 0.00 176.35 172.00 1jj2 s HIS 119 N -3.18 3.43 0.78 0.29 5.65 -0.84 -4.82 115.29 116.60 1jj2 s HIS 119 Ca 0.64 0.01 -0.14 0.00 0.25 0.00 0.00 55.06 55.82 1jj2 s HIS 119 Cb -0.16 -1.58 0.06 0.00 -1.18 0.00 0.00 32.58 29.72 1jj2 s HIS 119 CO 0.55 0.47 1.18 -2.30 -0.65 0.00 0.00 174.74 173.98 1jj2 n PRO 120 N -1.13 0.34 -2.10 2.88 -0.02 -1.26 -4.48 135.00 129.23 1jj2 n PRO 120 Ca -0.08 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 1jj2 n PRO 120 Cb 0.56 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1jj2 n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jj2 s PRO 121 N -3.92 3.75 0.16 0.52 0.04 -1.26 -4.45 135.00 129.84 1jj2 s PRO 121 Ca 0.75 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 63.12 1jj2 s PRO 121 Cb -0.31 -4.05 -0.11 0.00 0.04 0.00 0.00 34.50 30.07 1jj2 s PRO 121 CO 0.49 -1.35 1.75 1.03 0.04 0.00 0.00 177.00 178.96 1jj2 s ARG 122 N 4.78 4.14 0.00 4.56 0.52 0.14 0.03 118.95 133.12 1jj2 s ARG 122 Ca 0.72 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 58.50 1jj2 s ARG 122 Cb -0.25 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1jj2 s ARG 122 CO 0.30 -0.78 0.00 0.41 0.02 0.00 0.00 175.30 175.25 1jj2 n GLY 123 N 4.07 1.02 0.30 -3.53 0.00 -1.26 -4.87 105.19 100.91 1jj2 n GLY 123 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1jj2 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 124 N -2.00 -2.97 2.27 -0.02 0.00 0.10 -5.02 105.19 97.56 1jj2 n GLY 124 Ca 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1jj2 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jj2 n HIS 125 N -1.93 -3.16 1.92 1.61 1.44 -1.26 -4.97 115.22 108.87 1jj2 n HIS 125 Ca -0.01 -1.01 0.12 0.00 -2.01 0.00 0.00 57.72 54.81 1jj2 n HIS 125 Cb 0.11 -0.43 0.69 0.00 0.12 0.00 0.00 29.99 30.47 1jj2 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1jj2 n ASP 126 N -2.97 0.21 0.00 4.39 8.00 -1.26 -5.00 116.55 119.92 1jj2 n ASP 126 Ca 0.10 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1jj2 n ASP 126 Cb 0.34 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1jj2 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jj2 n GLY 127 N 0.92 2.84 1.81 0.44 0.00 -1.26 -4.26 105.19 105.67 1jj2 n GLY 127 Ca 0.18 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1jj2 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jj2 n VAL 128 N 0.81 2.94 0.11 1.61 0.24 -1.26 -1.08 118.33 121.69 1jj2 n VAL 128 Ca 0.00 -2.19 0.01 0.00 -2.04 0.00 0.00 64.34 60.13 1jj2 n VAL 128 Cb 0.00 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1jj2 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jj2 n LYS 129 N -1.04 1.35 -3.88 7.34 5.02 -1.26 -4.99 118.16 120.70 1jj2 n LYS 129 Ca 0.48 -0.46 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1jj2 n LYS 129 Cb 1.41 -0.92 -0.09 0.00 -0.02 0.00 0.00 35.03 35.40 1jj2 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1jj2 s HIS 130 N -0.50 0.08 0.93 2.13 3.76 -1.26 -5.08 115.29 115.35 1jj2 s HIS 130 Ca 0.02 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.54 1jj2 s HIS 130 Cb 0.02 -0.07 0.19 0.00 1.11 0.00 0.00 32.58 33.83 1jj2 s HIS 130 CO 0.05 -0.33 1.29 -1.25 -0.85 0.00 0.00 174.74 173.64 1jj2 s PRO 131 N -1.91 0.82 0.12 8.40 0.04 -1.26 -2.41 135.00 138.80 1jj2 s PRO 131 Ca -0.11 -0.43 -0.20 0.00 0.04 0.00 0.00 61.00 60.30 1jj2 s PRO 131 Cb -0.05 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1jj2 s PRO 131 CO -0.01 -2.28 1.74 0.28 0.04 0.00 0.00 177.00 176.77 1jj2 h VAL 132 N -1.51 0.93 0.00 -0.36 2.07 -1.43 0.36 116.25 116.31 1jj2 h VAL 132 Ca -0.44 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jj2 h VAL 132 Cb 1.24 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jj2 h VAL 132 CO 0.40 0.02 0.03 0.29 0.02 0.00 0.00 177.57 178.33 1jj2 n LYS 133 N -5.08 0.00 -0.03 1.57 5.02 -1.26 -0.13 118.16 118.25 1jj2 n LYS 133 Ca -0.03 0.32 0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1jj2 n LYS 133 Cb 0.08 -1.53 0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1jj2 n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jj2 n GLU 134 N -1.31 1.37 -0.13 1.97 1.02 -0.80 -4.98 120.64 117.78 1jj2 n GLU 134 Ca 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1jj2 n GLU 134 Cb 0.03 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1jj2 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jj2 n GLY 135 N -0.00 0.57 0.00 0.62 0.00 0.82 -4.90 105.19 102.30 1jj2 n GLY 135 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jj2 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 136 N -2.00 -0.12 0.24 -0.02 0.00 0.12 -4.73 105.19 98.69 1jj2 n GLY 136 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.24 1jj2 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jj2 n GLN 137 N -0.80 0.39 -3.18 1.61 -0.06 -0.24 -3.67 117.38 111.44 1jj2 n GLN 137 Ca 0.00 -1.02 -0.32 0.00 -2.00 0.00 0.00 57.00 53.66 1jj2 n GLN 137 Cb 0.00 -1.11 -0.06 0.00 -4.06 0.00 0.00 30.24 25.01 1jj2 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1jj2 s LEU 138 N -0.57 4.07 0.00 1.69 1.43 -1.13 -4.56 118.68 119.62 1jj2 s LEU 138 Ca 0.07 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1jj2 s LEU 138 Cb 0.05 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1jj2 s LEU 138 CO 0.07 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1jj2 n GLY 139 N -0.38 -1.81 3.75 -3.19 0.00 -0.09 -1.83 105.19 101.63 1jj2 n GLY 139 Ca 0.03 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1jj2 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jj2 s LYS 140 N 0.00 4.32 0.35 1.61 2.20 -1.26 -2.19 119.74 124.77 1jj2 s LYS 140 Ca 0.00 2.23 0.09 0.00 -0.36 0.00 0.00 55.97 57.92 1jj2 s LYS 140 Cb 0.00 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.14 1jj2 s LYS 140 CO 0.00 -0.33 -0.03 -1.01 -0.36 0.00 0.00 175.35 173.62 1jj2 s HIS 141 N -0.24 2.48 0.71 4.03 3.76 0.19 -4.76 115.29 121.46 1jj2 s HIS 141 Ca 0.56 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.86 1jj2 s HIS 141 Cb -0.40 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 31.81 1jj2 s HIS 141 CO 0.44 0.51 1.07 -0.51 -0.85 0.00 0.00 174.74 175.40 1jj2 s ASP 142 N -3.67 5.23 0.31 1.40 1.01 -1.26 -4.55 116.67 115.13 1jj2 s ASP 142 Ca 0.34 1.60 0.02 0.00 0.71 0.00 0.00 52.55 55.22 1jj2 s ASP 142 Cb 0.03 -2.45 0.50 0.00 1.01 0.00 0.00 42.92 42.00 1jj2 s ASP 142 CO 0.18 -1.54 1.84 0.74 0.21 0.00 0.00 175.17 176.60 1jj2 h THR 143 N -0.79 1.21 -0.06 -1.27 2.02 -1.97 0.78 112.91 112.84 1jj2 h THR 143 Ca -0.44 -0.83 -0.15 0.00 0.77 0.00 0.00 66.41 65.75 1jj2 h THR 143 Cb 1.22 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1jj2 h THR 143 CO 0.57 0.29 -0.64 -0.08 0.37 0.00 0.00 175.52 176.03 1jj2 h GLU 144 N 0.63 0.23 -0.18 6.66 4.81 -1.92 -1.80 114.58 123.01 1jj2 h GLU 144 Ca 0.13 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1jj2 h GLU 144 Cb 0.34 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1jj2 h GLU 144 CO 0.01 0.80 -0.08 0.78 -0.73 0.00 0.00 179.01 179.78 1jj2 h GLY 145 N 1.52 0.40 0.89 1.92 0.00 -1.29 -2.32 103.07 104.19 1jj2 h GLY 145 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1jj2 h GLY 145 CO 0.10 0.33 0.06 -2.22 0.00 0.00 0.00 176.54 174.81 1jj2 h ILE 146 N 0.06 1.22 -0.67 2.60 1.08 0.48 -2.96 117.51 119.32 1jj2 h ILE 146 Ca 0.04 -0.76 0.11 0.00 -0.39 0.00 0.00 64.86 63.87 1jj2 h ILE 146 Cb 0.56 1.15 -0.08 0.00 -3.07 0.00 0.00 36.82 35.38 1jj2 h ILE 146 CO 0.03 0.25 0.25 0.44 -0.69 0.00 0.00 178.15 178.42 1jj2 h ASP 147 N 0.32 0.23 -0.11 1.72 5.19 -1.32 0.18 116.42 122.62 1jj2 h ASP 147 Ca 0.09 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1jj2 h ASP 147 Cb 0.31 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1jj2 h ASP 147 CO 0.00 0.11 0.04 0.44 -3.12 0.00 0.00 179.24 176.72 1jj2 h ASP 148 N 0.41 0.05 0.29 6.45 3.32 -1.28 0.11 116.42 125.78 1jj2 h ASP 148 Ca 0.35 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 1jj2 h ASP 148 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1jj2 h ASP 148 CO -0.36 0.05 -0.17 0.25 -1.72 0.00 0.00 179.24 177.29 1jj2 h LEU 149 N 0.10 -0.41 -1.11 1.55 5.85 -1.15 -0.38 115.31 119.75 1jj2 h LEU 149 Ca 0.05 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1jj2 h LEU 149 Cb 0.02 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1jj2 h LEU 149 CO -0.05 -0.27 0.61 -0.07 -0.34 0.00 0.00 178.44 178.32 1jj2 h LEU 150 N -0.43 0.94 -0.58 2.25 3.38 -0.53 -1.46 115.31 118.88 1jj2 h LEU 150 Ca -0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1jj2 h LEU 150 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jj2 h LEU 150 CO 0.04 0.60 -0.68 -0.33 0.09 0.00 0.00 178.44 178.16 1jj2 h GLU 151 N 1.07 0.14 0.00 1.13 5.08 -0.47 -1.71 114.58 119.81 1jj2 h GLU 151 Ca 0.40 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1jj2 h GLU 151 Cb 0.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jj2 h GLU 151 CO -0.16 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 1jj2 h ALA 152 N 1.20 1.00 -0.30 3.43 0.00 -0.31 -2.72 119.26 121.55 1jj2 h ALA 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jj2 h ALA 152 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jj2 h ALA 152 CO 0.10 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 1jj2 n MET 153 N -2.36 2.99 0.00 0.00 2.81 -0.62 0.27 117.12 120.21 1jj2 n MET 153 Ca 0.04 -2.64 0.02 0.00 -1.81 0.00 0.00 57.70 53.30 1jj2 n MET 153 Cb 0.36 -1.71 0.09 0.00 -0.71 0.00 0.00 33.22 31.26 1jj2 n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35