#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1j s PRO 3 N 0.00 2.50 0.28 0.00 0.02 -0.77 -4.30 135.00 132.72 2g1j s PRO 3 Ca 0.00 1.82 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 2g1j s PRO 3 Cb 0.00 -1.87 0.40 0.00 0.02 0.00 0.00 34.50 33.05 2g1j s PRO 3 CO 0.00 -1.57 1.81 0.87 -0.33 0.00 0.00 177.00 177.77 2g1j h LYS 4 N 0.23 0.77 -2.35 5.54 1.79 0.87 -3.44 116.57 119.98 2g1j h LYS 4 Ca -0.49 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 57.72 2g1j h LYS 4 Cb 1.30 -0.10 -0.22 0.00 -1.58 0.00 0.00 32.23 31.63 2g1j h LYS 4 CO 0.52 0.74 -0.04 0.00 -1.08 0.00 0.00 179.45 179.60 2g1j s ALA 5 N -5.08 -1.43 -0.24 3.86 0.00 -1.23 -4.78 121.76 112.86 2g1j s ALA 5 Ca -0.09 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 2g1j s ALA 5 Cb 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2g1j s ALA 5 CO 0.80 -0.28 0.00 0.08 0.00 0.00 0.00 175.76 176.37 2g1j s VAL 6 N 0.21 3.64 -0.09 0.00 1.01 0.14 -0.87 120.40 124.44 2g1j s VAL 6 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2g1j s VAL 6 Cb -0.04 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2g1j s VAL 6 CO 0.01 0.32 0.33 -0.76 0.00 0.00 0.00 175.10 175.00 2g1j s LEU 7 N 1.50 4.35 0.06 3.92 1.43 0.19 -0.06 118.68 130.08 2g1j s LEU 7 Ca 0.05 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2g1j s LEU 7 Cb -0.15 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2g1j s LEU 7 CO -0.01 0.22 -0.10 0.68 0.23 0.00 0.00 176.35 177.38 2g1j s VAL 8 N -0.32 0.76 0.00 -1.59 -7.23 -0.44 -1.13 120.40 110.46 2g1j s VAL 8 Ca 0.20 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2g1j s VAL 8 Cb -0.14 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2g1j s VAL 8 CO 0.08 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2g1j n GLY 9 N 1.23 2.95 3.97 2.32 0.00 -1.26 -1.11 105.19 113.29 2g1j n GLY 9 Ca -0.21 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 2g1j n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g1j s LEU 10 N 0.00 3.39 0.30 0.99 1.43 -1.26 -4.59 118.68 118.94 2g1j s LEU 10 Ca 0.00 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 2g1j s LEU 10 Cb 0.00 -2.92 -0.12 0.00 0.03 0.00 0.00 46.19 43.19 2g1j s LEU 10 CO 0.00 -1.01 1.59 -2.65 0.23 0.00 0.00 176.35 174.51 2g1j n PRO 11 N -2.24 2.70 0.00 1.29 -0.02 -1.26 -1.66 135.00 133.81 2g1j n PRO 11 Ca 0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2g1j n PRO 11 Cb 0.59 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2g1j n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g1j n GLY 12 N 2.03 0.98 0.10 -1.23 0.00 -1.26 -4.92 105.19 100.89 2g1j n GLY 12 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2g1j n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g1j h SER 13 N 0.00 0.00 0.00 1.61 4.64 -1.65 -3.46 113.55 114.70 2g1j h SER 13 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2g1j h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2g1j h SER 13 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2g1j n GLY 14 N 1.31 0.75 0.31 -0.77 0.00 -1.26 -4.87 105.19 100.66 2g1j n GLY 14 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2g1j n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g1j h LYS 15 N 2.57 0.08 0.40 1.61 1.79 -1.92 -1.43 116.57 119.67 2g1j h LYS 15 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2g1j h LYS 15 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2g1j h LYS 15 CO 0.00 0.05 -0.19 0.77 -1.08 0.00 0.00 179.45 179.00 2g1j h SER 16 N 0.08 -0.45 0.51 0.86 0.02 -1.97 0.17 113.55 112.76 2g1j h SER 16 Ca 0.51 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.42 2g1j h SER 16 Cb 0.99 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2g1j h SER 16 CO -0.78 -0.28 -0.24 0.74 -1.14 0.00 0.00 176.83 175.12 2g1j h THR 17 N -0.59 0.45 -0.82 -2.27 2.02 -1.91 -0.88 112.91 108.92 2g1j h THR 17 Ca -0.05 -0.28 0.16 0.00 0.77 0.00 0.00 66.41 67.00 2g1j h THR 17 Cb 0.44 0.57 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 2g1j h THR 17 CO 0.09 0.04 0.37 0.40 0.37 0.00 0.00 175.52 176.79 2g1j h ILE 18 N -0.86 0.64 -0.14 3.11 2.04 -1.33 0.21 117.51 121.19 2g1j h ILE 18 Ca -0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2g1j h ILE 18 Cb 0.59 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2g1j h ILE 18 CO 0.11 0.09 0.09 1.23 0.00 0.00 0.00 178.15 179.68 2g1j h GLY 19 N 0.50 0.20 0.87 5.37 0.00 -0.46 0.52 103.07 110.08 2g1j h GLY 19 Ca 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 2g1j h GLY 19 CO -0.42 0.08 -0.18 -0.09 0.00 0.00 0.00 176.54 175.93 2g1j h ARG 20 N 0.18 -0.42 -0.82 4.80 2.43 0.43 -1.32 114.38 119.66 2g1j h ARG 20 Ca 0.05 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2g1j h ARG 20 Cb -0.01 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2g1j h ARG 20 CO -0.01 -0.28 0.34 0.00 -1.51 0.00 0.00 179.97 178.51 2g1j h ARG 21 N -0.44 1.21 -0.49 0.20 3.08 -0.53 -1.73 114.38 115.68 2g1j h ARG 21 Ca -0.02 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 2g1j h ARG 21 Cb 0.38 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2g1j h ARG 21 CO 0.01 0.97 0.13 1.25 -1.07 0.00 0.00 179.97 181.25 2g1j h LEU 22 N 1.18 0.74 -0.21 3.04 5.85 0.16 0.35 115.31 126.43 2g1j h LEU 22 Ca 0.27 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2g1j h LEU 22 Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2g1j h LEU 22 CO -0.03 0.77 0.11 0.00 -0.34 0.00 0.00 178.44 178.96 2g1j h ALA 23 N 1.00 0.27 -0.73 1.25 0.00 -1.05 -1.79 119.26 118.21 2g1j h ALA 23 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2g1j h ALA 23 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2g1j h ALA 23 CO 0.00 -0.18 0.42 -0.22 0.00 0.00 0.00 179.25 179.27 2g1j h LYS 24 N 0.23 1.01 0.00 0.00 3.64 -1.17 -0.92 116.57 119.35 2g1j h LYS 24 Ca 0.07 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2g1j h LYS 24 Cb 0.09 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2g1j h LYS 24 CO -0.01 0.73 -0.00 0.00 -2.27 0.00 0.00 179.45 177.90 2g1j h ALA 25 N 1.22 1.99 -0.01 5.00 0.00 -0.57 -1.72 119.26 125.18 2g1j h ALA 25 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2g1j h ALA 25 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2g1j h ALA 25 CO -0.05 0.00 -0.54 1.28 0.00 0.00 0.00 179.25 179.95 2g1j n LEU 26 N -4.53 1.46 -1.44 0.00 4.77 -0.70 -4.96 117.00 111.60 2g1j n LEU 26 Ca -0.03 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.30 2g1j n LEU 26 Cb 0.09 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2g1j n LEU 26 CO 0.34 0.29 -0.15 0.61 -1.33 0.00 0.00 177.39 177.15 2g1j n GLY 27 N 1.43 -0.13 3.21 -0.72 0.00 -0.43 -5.01 105.19 103.53 2g1j n GLY 27 Ca 0.09 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2g1j n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g1j n VAL 28 N -4.01 0.00 -3.95 1.61 0.24 -0.71 -5.04 118.33 106.47 2g1j n VAL 28 Ca -0.14 -2.13 -0.25 0.00 -2.04 0.00 0.00 64.34 59.78 2g1j n VAL 28 Cb 0.61 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 2g1j n VAL 28 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2g1j s GLY 29 N -3.46 1.58 -0.20 7.63 0.00 -1.26 -4.38 107.32 107.23 2g1j s GLY 29 Ca 0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 2g1j s GLY 29 CO 0.01 -1.09 -0.01 -2.27 0.00 0.00 0.00 173.10 169.74 2g1j s LEU 30 N -3.43 3.21 -0.15 0.66 2.96 -1.26 -0.36 118.68 120.32 2g1j s LEU 30 Ca 0.34 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2g1j s LEU 30 Cb -0.11 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2g1j s LEU 30 CO 0.29 0.07 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.95 2g1j s LEU 31 N 0.97 2.11 -0.21 -0.68 0.20 -0.31 -4.99 118.68 115.78 2g1j s LEU 31 Ca 0.01 -0.61 -0.07 0.00 0.69 0.00 0.00 54.13 54.14 2g1j s LEU 31 Cb -0.14 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 2g1j s LEU 31 CO 0.02 0.07 0.07 -0.62 -0.29 0.00 0.00 176.35 175.59 2g1j s ASP 32 N 0.90 5.44 0.36 3.68 -1.08 -1.26 -0.67 116.67 124.04 2g1j s ASP 32 Ca -0.05 -0.04 0.09 0.00 -0.52 0.00 0.00 52.55 52.03 2g1j s ASP 32 Cb -0.15 -1.95 0.70 0.00 -1.46 0.00 0.00 42.92 40.06 2g1j s ASP 32 CO -0.04 0.09 1.86 0.71 0.52 0.00 0.00 175.17 178.30 2g1j h THR 33 N 5.16 1.22 -0.67 1.71 1.35 -1.68 0.37 112.91 120.37 2g1j h THR 33 Ca -0.37 -1.00 -0.06 0.00 -0.55 0.00 0.00 66.41 64.43 2g1j h THR 33 Cb 1.17 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 2g1j h THR 33 CO 0.64 0.31 0.19 0.44 -0.25 0.00 0.00 175.52 176.85 2g1j h ASP 34 N 0.20 0.97 -0.21 5.36 3.32 -1.94 0.85 116.42 124.96 2g1j h ASP 34 Ca 0.04 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2g1j h ASP 34 Cb 0.50 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2g1j h ASP 34 CO 0.03 0.91 -0.20 0.58 -1.72 0.00 0.00 179.24 178.85 2g1j h VAL 35 N 0.99 1.32 0.00 -1.35 2.07 -1.83 -3.04 116.25 114.42 2g1j h VAL 35 Ca 0.22 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2g1j h VAL 35 Cb 0.31 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2g1j h VAL 35 CO -0.00 0.41 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 2g1j h ALA 36 N 0.66 1.83 0.00 1.67 0.00 -0.42 -1.15 119.26 121.85 2g1j h ALA 36 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2g1j h ALA 36 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2g1j h ALA 36 CO 0.05 0.02 -0.45 0.82 0.00 0.00 0.00 179.25 179.69 2g1j h ILE 37 N 0.00 1.28 0.06 0.00 2.04 -0.72 -1.56 117.51 118.61 2g1j h ILE 37 Ca -0.00 -1.56 -0.27 0.00 1.00 0.00 0.00 64.86 64.03 2g1j h ILE 37 Cb 0.03 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2g1j h ILE 37 CO 0.00 0.44 -1.34 -0.08 0.00 0.00 0.00 178.15 177.17 2g1j h GLU 38 N 0.00 0.13 0.10 2.37 4.81 -1.24 -2.53 114.58 118.22 2g1j h GLU 38 Ca -0.00 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2g1j h GLU 38 Cb 0.82 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2g1j h GLU 38 CO 0.06 1.00 -0.05 1.96 -0.73 0.00 0.00 179.01 181.25 2g1j h GLN 39 N 0.04 -0.13 0.00 1.92 4.20 -1.28 0.32 115.11 120.18 2g1j h GLN 39 Ca -0.16 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2g1j h GLN 39 Cb 1.93 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.74 2g1j h GLN 39 CO 0.15 0.05 0.00 0.54 -0.67 0.00 0.00 178.83 178.89 2g1j n ARG 40 N -5.08 0.00 0.18 1.46 5.12 -0.60 -3.46 116.66 114.29 2g1j n ARG 40 Ca -0.08 0.64 0.03 0.00 -1.93 0.00 0.00 57.85 56.50 2g1j n ARG 40 Cb 0.14 -1.38 0.35 0.00 -1.16 0.00 0.00 32.46 30.40 2g1j n ARG 40 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2g1j h THR 41 N 0.00 1.22 -0.05 0.55 1.35 -1.53 -3.47 112.91 110.98 2g1j h THR 41 Ca 0.00 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.44 2g1j h THR 41 Cb 0.00 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2g1j h THR 41 CO 0.00 0.39 -0.02 0.61 -0.25 0.00 0.00 175.52 176.25 2g1j n GLY 42 N -0.29 0.49 2.90 5.82 0.00 0.11 -5.02 105.19 109.21 2g1j n GLY 42 Ca -0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2g1j n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g1j s ARG 43 N -1.42 0.49 1.09 1.61 0.52 -1.23 -5.05 118.95 114.96 2g1j s ARG 43 Ca 0.00 -0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 2g1j s ARG 43 Cb 0.00 -0.53 0.18 0.00 0.52 0.00 0.00 34.95 35.12 2g1j s ARG 43 CO 0.00 -0.01 0.67 -1.13 0.02 0.00 0.00 175.30 174.85 2g1j n SER 44 N 3.56 -1.62 -0.16 0.23 3.41 -1.26 -4.41 113.62 113.37 2g1j n SER 44 Ca -0.20 0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 2g1j n SER 44 Cb 0.54 -1.20 0.04 0.00 -0.26 0.00 0.00 64.21 63.33 2g1j n SER 44 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2g1j h ILE 45 N -2.23 1.27 -0.37 -1.33 2.04 -1.95 -2.07 117.51 112.87 2g1j h ILE 45 Ca -0.54 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 2g1j h ILE 45 Cb 1.32 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2g1j h ILE 45 CO 0.43 0.44 0.13 0.00 0.00 0.00 0.00 178.15 179.14 2g1j h ALA 46 N 1.00 1.52 0.03 1.87 0.00 -1.99 -2.07 119.26 119.62 2g1j h ALA 46 Ca 0.13 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2g1j h ALA 46 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2g1j h ALA 46 CO 0.05 0.36 -1.01 -0.44 0.00 0.00 0.00 179.25 178.22 2g1j h ASP 47 N 0.53 0.46 0.27 0.00 3.32 -1.82 -0.35 116.42 118.82 2g1j h ASP 47 Ca 0.13 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 2g1j h ASP 47 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2g1j h ASP 47 CO -0.01 1.22 -0.43 0.40 -1.72 0.00 0.00 179.24 178.70 2g1j h ILE 48 N 0.17 1.32 0.09 0.35 2.04 -1.14 -1.17 117.51 119.16 2g1j h ILE 48 Ca -0.09 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 2g1j h ILE 48 Cb 1.66 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2g1j h ILE 48 CO 0.17 0.46 -0.04 0.15 0.00 0.00 0.00 178.15 178.89 2g1j h PHE 49 N 0.17 -0.11 -0.58 1.37 3.57 -1.39 -1.61 116.94 118.36 2g1j h PHE 49 Ca 0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 2g1j h PHE 49 Cb 0.84 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2g1j h PHE 49 CO 0.01 0.12 0.38 0.00 -2.23 0.00 0.00 178.31 176.59 2g1j h ALA 50 N -0.80 1.90 0.03 2.41 0.00 -1.11 0.32 119.26 122.01 2g1j h ALA 50 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2g1j h ALA 50 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2g1j h ALA 50 CO 0.02 -0.01 -1.59 2.41 0.00 0.00 0.00 179.25 180.08 2g1j n THR 51 N -4.47 1.60 0.25 0.00 -1.04 -0.44 -4.64 114.28 105.52 2g1j n THR 51 Ca 0.08 -0.23 0.10 0.00 -2.04 0.00 0.00 64.05 61.97 2g1j n THR 51 Cb 0.28 -1.94 -0.15 0.00 -1.82 0.00 0.00 70.33 66.71 2g1j n THR 51 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2g1j n ASP 52 N -4.15 0.48 0.00 8.00 8.00 -0.62 -5.08 116.55 123.18 2g1j n ASP 52 Ca -0.35 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2g1j n ASP 52 Cb 0.80 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 43.59 2g1j n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g1j n GLY 53 N 1.37 0.59 0.35 0.44 0.00 0.11 -4.37 105.19 103.68 2g1j n GLY 53 Ca -0.02 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.28 2g1j n GLY 53 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g1j h GLU 54 N 0.00 1.11 -0.51 1.61 4.81 -1.87 -1.93 114.58 117.80 2g1j h GLU 54 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2g1j h GLU 54 Cb 0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 2g1j h GLU 54 CO 0.00 0.74 0.19 1.96 -0.73 0.00 0.00 179.01 181.17 2g1j h GLN 55 N 1.15 0.74 -0.16 1.92 7.50 -1.97 -0.64 115.11 123.64 2g1j h GLN 55 Ca 0.40 -0.11 -0.21 0.00 0.50 0.00 0.00 58.65 59.23 2g1j h GLN 55 Cb 0.09 -0.13 0.01 0.00 0.05 0.00 0.00 27.48 27.50 2g1j h GLN 55 CO -0.15 0.62 -0.73 1.49 -1.50 0.00 0.00 178.83 178.56 2g1j h GLU 56 N 0.73 0.74 -0.49 1.46 4.57 -1.67 -2.60 114.58 117.31 2g1j h GLU 56 Ca 0.17 -0.58 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2g1j h GLU 56 Cb 0.16 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2g1j h GLU 56 CO -0.01 1.19 0.30 0.35 -1.18 0.00 0.00 179.01 179.66 2g1j h PHE 57 N 0.51 0.63 -0.09 0.92 3.57 -0.83 -1.99 116.94 119.66 2g1j h PHE 57 Ca -0.04 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2g1j h PHE 57 Cb 1.35 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2g1j h PHE 57 CO 0.08 0.43 -0.25 0.00 -2.23 0.00 0.00 178.31 176.33 2g1j h ARG 58 N 0.65 0.16 -0.19 1.11 2.47 -1.11 0.59 114.38 118.07 2g1j h ARG 58 Ca 0.18 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 2g1j h ARG 58 Cb -0.03 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2g1j h ARG 58 CO -0.03 0.41 -0.04 -0.09 0.56 0.00 0.00 179.97 180.78 2g1j h ARG 59 N 0.15 0.35 -0.32 0.04 2.43 -1.10 -0.73 114.38 115.19 2g1j h ARG 59 Ca 0.02 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2g1j h ARG 59 Cb 0.53 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2g1j h ARG 59 CO 0.04 0.60 0.15 0.82 -1.51 0.00 0.00 179.97 180.07 2g1j h ILE 60 N 0.07 1.16 -0.37 1.20 2.04 -1.06 -2.08 117.51 118.48 2g1j h ILE 60 Ca 0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2g1j h ILE 60 Cb 0.47 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2g1j h ILE 60 CO 0.02 0.17 0.24 -0.08 0.00 0.00 0.00 178.15 178.50 2g1j h GLU 61 N 0.38 0.48 -0.78 2.37 4.81 -0.82 -0.97 114.58 120.06 2g1j h GLU 61 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2g1j h GLU 61 Cb 0.13 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2g1j h GLU 61 CO -0.01 0.32 0.45 1.49 -0.73 0.00 0.00 179.01 180.53 2g1j h GLU 62 N 0.50 1.07 -0.54 1.92 4.81 -1.02 0.03 114.58 121.35 2g1j h GLU 62 Ca 0.14 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2g1j h GLU 62 Cb -0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 2g1j h GLU 62 CO -0.03 0.76 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.48 2g1j h ASP 63 N 1.08 1.01 -0.53 1.04 3.32 -0.94 -1.19 116.42 120.21 2g1j h ASP 63 Ca 0.28 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 2g1j h ASP 63 Cb -0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2g1j h ASP 63 CO -0.05 1.11 -0.03 0.58 -1.72 0.00 0.00 179.24 179.14 2g1j h VAL 64 N 0.88 1.27 0.23 -1.35 2.07 -0.69 -2.32 116.25 116.34 2g1j h VAL 64 Ca 0.14 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2g1j h VAL 64 Cb 0.65 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2g1j h VAL 64 CO 0.05 0.41 -0.11 0.58 0.02 0.00 0.00 177.57 178.51 2g1j h VAL 65 N 0.82 0.81 -0.86 2.57 2.07 -0.84 -0.84 116.25 119.99 2g1j h VAL 65 Ca 0.15 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2g1j h VAL 65 Cb 0.57 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 2g1j h VAL 65 CO 0.03 0.05 0.51 0.03 0.02 0.00 0.00 177.57 178.21 2g1j h ARG 66 N -0.41 0.87 -0.42 1.57 3.08 -1.22 0.22 114.38 118.06 2g1j h ARG 66 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2g1j h ARG 66 Cb 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2g1j h ARG 66 CO 0.05 0.57 0.03 0.00 -1.07 0.00 0.00 179.97 179.56 2g1j h ALA 67 N 1.44 0.56 -0.66 0.04 0.00 -1.30 -2.79 119.26 116.54 2g1j h ALA 67 Ca 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2g1j h ALA 67 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2g1j h ALA 67 CO -0.21 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.67 2g1j h ALA 68 N 0.91 0.85 0.00 0.00 0.00 -0.05 0.16 119.26 121.14 2g1j h ALA 68 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2g1j h ALA 68 Cb 0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2g1j h ALA 68 CO 0.02 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.60 2g1j h LEU 69 N 0.92 0.00 0.02 0.00 3.38 -0.50 0.00 115.31 119.13 2g1j h LEU 69 Ca 0.23 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.82 2g1j h LEU 69 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2g1j h LEU 69 CO -0.03 0.01 -2.36 0.00 0.09 0.00 0.00 178.44 176.15 2g1j n ALA 70 N -2.14 1.37 0.49 1.53 0.00 -0.61 -3.59 120.51 117.55 2g1j n ALA 70 Ca -0.02 -1.05 0.09 0.00 0.00 0.00 0.00 53.44 52.45 2g1j n ALA 70 Cb 0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 2g1j n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2g1j n ASP 71 N -3.20 0.78 -4.71 0.00 8.00 0.48 -4.15 116.55 113.74 2g1j n ASP 71 Ca -0.41 -0.53 -0.36 0.00 0.71 0.00 0.00 54.79 54.21 2g1j n ASP 71 Cb 1.03 1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 43.43 2g1j n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2g1j s HIS 72 N -2.99 3.41 -0.50 1.24 2.46 -0.03 -4.92 115.29 113.97 2g1j s HIS 72 Ca 0.01 0.45 0.13 0.00 0.47 0.00 0.00 55.06 56.11 2g1j s HIS 72 Cb 0.13 -2.28 0.36 0.00 -0.13 0.00 0.00 32.58 30.66 2g1j s HIS 72 CO 0.77 0.21 1.29 -3.47 -2.47 0.00 0.00 174.74 171.07 2g1j n ASP 73 N 3.74 3.17 0.00 9.88 -0.08 -1.26 -1.85 116.55 130.15 2g1j n ASP 73 Ca -0.13 -2.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 2g1j n ASP 73 Cb 0.52 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.63 2g1j n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g1j n GLY 74 N -0.11 1.05 3.59 0.27 0.00 -1.26 -3.68 105.19 105.05 2g1j n GLY 74 Ca 0.15 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2g1j n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g1j s VAL 75 N 4.12 4.58 -0.21 1.61 1.01 0.52 0.12 120.40 132.15 2g1j s VAL 75 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2g1j s VAL 75 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2g1j s VAL 75 CO 0.00 0.45 -0.04 -0.22 0.00 0.00 0.00 175.10 175.29 2g1j s LEU 76 N 0.51 2.96 -0.32 3.92 2.96 -0.05 -1.16 118.68 127.50 2g1j s LEU 76 Ca 0.02 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 2g1j s LEU 76 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2g1j s LEU 76 CO 0.01 0.02 0.22 -0.44 -1.32 0.00 0.00 176.35 174.84 2g1j s SER 77 N 1.27 6.01 0.08 3.68 0.01 0.15 0.55 113.70 125.45 2g1j s SER 77 Ca 0.03 -0.31 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 2g1j s SER 77 Cb -0.14 -2.12 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 2g1j s SER 77 CO -0.01 -0.18 0.63 -0.22 0.41 0.00 0.00 173.24 173.87 2g1j s LEU 78 N 1.73 4.53 0.41 2.44 2.96 -0.28 -1.67 118.68 128.79 2g1j s LEU 78 Ca 0.06 1.35 -0.26 0.00 -0.22 0.00 0.00 54.13 55.06 2g1j s LEU 78 Cb -0.17 -3.02 -0.09 0.00 0.50 0.00 0.00 46.19 43.41 2g1j s LEU 78 CO 0.10 0.22 1.39 -0.83 -1.32 0.00 0.00 176.35 175.91 2g1j s GLY 79 N -0.94 2.93 0.39 7.98 0.00 -1.26 -4.73 107.32 111.69 2g1j s GLY 79 Ca 0.31 1.40 0.21 0.00 0.00 0.00 0.00 44.72 46.64 2g1j s GLY 79 CO 0.21 2.02 1.65 -1.33 0.00 0.00 0.00 173.10 175.65 2g1j h GLY 80 N 2.67 1.72 -0.05 0.20 0.00 -1.96 -1.78 103.07 103.88 2g1j h GLY 80 Ca -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2g1j h GLY 80 CO 0.63 -0.45 -0.31 0.61 0.00 0.00 0.00 176.54 177.02 2g1j n GLY 81 N -1.39 -0.46 0.31 4.60 0.00 -1.26 -4.41 105.19 102.57 2g1j n GLY 81 Ca 0.34 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2g1j n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g1j h ALA 82 N 3.73 1.31 0.00 4.61 0.00 -1.68 -0.65 119.26 126.59 2g1j h ALA 82 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g1j h ALA 82 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2g1j h ALA 82 CO 0.00 -0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.38 2g1j n VAL 83 N -4.95 0.91 0.94 0.00 0.24 -1.26 -1.54 118.33 112.67 2g1j n VAL 83 Ca 0.19 0.23 0.14 0.00 -2.04 0.00 0.00 64.34 62.85 2g1j n VAL 83 Cb 0.52 -1.07 0.59 0.00 -1.47 0.00 0.00 33.84 32.40 2g1j n VAL 83 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2g1j n THR 84 N -1.33 0.09 -3.10 3.34 -2.24 -0.25 -4.68 114.28 106.11 2g1j n THR 84 Ca 0.04 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2g1j n THR 84 Cb 0.08 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2g1j n THR 84 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2g1j s SER 85 N -3.24 6.51 0.28 3.42 0.01 -0.59 -4.95 113.70 115.14 2g1j s SER 85 Ca 0.13 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.87 2g1j s SER 85 Cb 0.18 -2.34 0.60 0.00 0.21 0.00 0.00 66.02 64.68 2g1j s SER 85 CO 0.54 -0.48 1.77 -0.65 0.41 0.00 0.00 173.24 174.83 2g1j h PRO 86 N 8.16 0.69 -0.00 12.44 0.11 -1.87 -0.15 132.00 151.38 2g1j h PRO 86 Ca -0.27 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2g1j h PRO 86 Cb 1.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2g1j h PRO 86 CO 0.81 0.46 -0.22 0.78 -0.21 0.00 0.00 178.00 179.61 2g1j h GLY 87 N 0.71 0.01 1.16 -0.55 0.00 -1.94 -1.08 103.07 101.38 2g1j h GLY 87 Ca 0.51 -0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.58 2g1j h GLY 87 CO -0.36 0.00 -0.96 -2.08 0.00 0.00 0.00 176.54 173.14 2g1j h VAL 88 N 0.01 1.29 -0.67 4.60 2.07 -1.33 -1.56 116.25 120.66 2g1j h VAL 88 Ca -0.00 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 2g1j h VAL 88 Cb 0.40 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2g1j h VAL 88 CO 0.03 0.68 0.32 0.03 0.02 0.00 0.00 177.57 178.65 2g1j h ARG 89 N 0.38 0.95 -0.39 1.57 3.08 -0.96 -1.49 114.38 117.52 2g1j h ARG 89 Ca -0.11 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 2g1j h ARG 89 Cb 1.62 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 2g1j h ARG 89 CO 0.19 0.73 -0.27 0.00 -1.07 0.00 0.00 179.97 179.55 2g1j h ALA 90 N 1.41 0.56 0.00 0.04 0.00 -1.16 -2.97 119.26 117.14 2g1j h ALA 90 Ca 0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2g1j h ALA 90 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g1j h ALA 90 CO -0.03 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 2g1j h ALA 91 N 0.79 1.42 0.00 0.00 0.00 -0.73 -2.47 119.26 118.27 2g1j h ALA 91 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2g1j h ALA 91 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2g1j h ALA 91 CO 0.07 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2g1j n LEU 92 N -3.89 0.27 -4.67 0.00 4.77 -0.61 -4.86 117.00 108.01 2g1j n LEU 92 Ca -0.02 0.53 -0.49 0.00 -0.03 0.00 0.00 56.01 56.00 2g1j n LEU 92 Cb 0.25 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2g1j n LEU 92 CO 0.33 -0.08 1.34 0.00 -1.33 0.00 0.00 177.39 177.65 2g1j n ALA 93 N -1.60 0.77 0.00 -1.18 0.00 -0.93 -1.39 120.51 116.18 2g1j n ALA 93 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2g1j n ALA 93 Cb 0.36 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.41 2g1j n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g1j n GLY 94 N 3.96 1.65 3.92 0.00 0.00 -1.26 -5.05 105.19 108.40 2g1j n GLY 94 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2g1j n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2g1j s HIS 95 N -2.36 3.25 -0.56 1.61 4.02 -0.48 -5.02 115.29 115.74 2g1j s HIS 95 Ca 0.00 0.63 -0.23 0.00 1.02 0.00 0.00 55.06 56.48 2g1j s HIS 95 Cb 0.00 -2.74 0.05 0.00 -1.02 0.00 0.00 32.58 28.87 2g1j s HIS 95 CO 0.00 -0.82 0.87 0.99 1.02 0.00 0.00 174.74 176.80 2g1j s THR 96 N -2.99 4.49 -0.24 1.30 2.01 -1.26 -4.83 115.64 114.12 2g1j s THR 96 Ca 0.54 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 2g1j s THR 96 Cb -0.11 -4.51 -0.01 0.00 0.01 0.00 0.00 72.50 67.89 2g1j s THR 96 CO 0.45 -1.10 0.01 -0.69 -0.69 0.00 0.00 174.62 172.59 2g1j s VAL 97 N 3.65 3.66 -0.33 3.82 1.01 -1.26 -0.68 120.40 130.27 2g1j s VAL 97 Ca 0.25 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 2g1j s VAL 97 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2g1j s VAL 97 CO 0.16 0.32 0.21 -0.69 0.00 0.00 0.00 175.10 175.10 2g1j s VAL 98 N 1.50 4.97 -0.46 2.92 1.01 0.92 -0.77 120.40 130.50 2g1j s VAL 98 Ca 0.05 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 2g1j s VAL 98 Cb -0.15 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2g1j s VAL 98 CO -0.01 -0.00 0.54 -0.47 0.00 0.00 0.00 175.10 175.16 2g1j s TYR 99 N 1.67 3.11 -0.95 5.22 5.04 0.46 -1.33 117.35 130.58 2g1j s TYR 99 Ca 0.05 -0.42 -0.24 0.00 -2.44 0.00 0.00 57.07 54.02 2g1j s TYR 99 Cb -0.17 -3.22 0.04 0.00 0.35 0.00 0.00 41.96 38.96 2g1j s TYR 99 CO 0.09 -0.85 1.41 -0.51 -1.34 0.00 0.00 175.55 174.35 2g1j s LEU 100 N 2.39 3.41 0.19 6.97 1.43 -0.27 -0.61 118.68 132.19 2g1j s LEU 100 Ca 0.14 -1.18 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2g1j s LEU 100 Cb -0.18 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 2g1j s LEU 100 CO 0.13 -1.61 0.81 -0.70 0.23 0.00 0.00 176.35 175.21 2g1j s GLU 101 N 5.20 4.58 0.03 1.70 2.12 -0.34 -4.60 118.70 127.39 2g1j s GLU 101 Ca 0.44 1.19 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 2g1j s GLU 101 Cb -0.02 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2g1j s GLU 101 CO -0.04 0.52 0.21 -1.50 -0.54 0.00 0.00 175.26 173.92 2g1j s ILE 102 N -1.23 0.10 0.51 -3.70 2.07 -1.26 -1.48 121.20 116.21 2g1j s ILE 102 Ca 0.38 -0.83 -0.13 0.00 -1.41 0.00 0.00 60.65 58.67 2g1j s ILE 102 Cb -0.22 -0.86 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 2g1j s ILE 102 CO 0.26 -0.45 0.93 -0.94 -1.91 0.00 0.00 174.94 172.82 2g1j s SER 103 N -1.98 6.46 0.23 4.50 1.04 -1.26 -4.91 113.70 117.77 2g1j s SER 103 Ca -0.06 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 2g1j s SER 103 Cb -0.02 -2.43 0.31 0.00 0.10 0.00 0.00 66.02 63.98 2g1j s SER 103 CO -0.03 -0.62 1.81 0.00 0.98 0.00 0.00 173.24 175.39 2g1j h ALA 104 N 0.61 1.03 -0.50 5.32 0.00 -1.97 -0.78 119.26 122.96 2g1j h ALA 104 Ca -0.46 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2g1j h ALA 104 Cb 1.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2g1j h ALA 104 CO 0.62 0.10 0.05 0.00 0.00 0.00 0.00 179.25 180.02 2g1j h ALA 105 N 1.39 0.67 0.00 0.00 0.00 -1.99 -2.20 119.26 117.13 2g1j h ALA 105 Ca 0.34 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2g1j h ALA 105 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2g1j h ALA 105 CO -0.20 0.43 -0.30 1.49 0.00 0.00 0.00 179.25 180.67 2g1j h GLU 106 N 0.72 0.00 -0.10 0.00 4.57 -1.82 -2.13 114.58 115.81 2g1j h GLU 106 Ca 0.15 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.14 2g1j h GLU 106 Cb 0.45 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2g1j h GLU 106 CO 0.02 0.30 -0.67 0.78 -1.18 0.00 0.00 179.01 178.26 2g1j h GLY 107 N 1.39 0.70 0.61 1.92 0.00 -0.93 -2.65 103.07 104.11 2g1j h GLY 107 Ca -0.00 -1.03 0.04 0.00 0.00 0.00 0.00 47.33 46.34 2g1j h GLY 107 CO 0.04 0.92 -0.03 -2.08 0.00 0.00 0.00 176.54 175.38 2g1j h VAL 108 N 0.28 0.81 -0.89 4.60 2.07 -1.09 -2.10 116.25 119.93 2g1j h VAL 108 Ca -0.05 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2g1j h VAL 108 Cb 1.32 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2g1j h VAL 108 CO 0.14 0.00 0.52 -0.09 0.02 0.00 0.00 177.57 178.16 2g1j h ARG 109 N 0.03 0.82 -0.94 1.57 2.43 -1.38 -1.05 114.38 115.86 2g1j h ARG 109 Ca 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2g1j h ARG 109 Cb 0.15 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2g1j h ARG 109 CO -0.20 0.54 0.04 0.54 -1.51 0.00 0.00 179.97 179.38 2g1j n ARG 110 N -4.71 1.65 -3.99 0.20 5.12 -0.81 -4.85 116.66 109.27 2g1j n ARG 110 Ca 0.16 -0.64 -0.10 0.00 -1.93 0.00 0.00 57.85 55.33 2g1j n ARG 110 Cb 0.32 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 2g1j n ARG 110 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2g1j s THR 111 N -1.17 0.00 0.00 0.55 -4.23 -0.40 -4.62 115.64 105.78 2g1j s THR 111 Ca 0.11 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2g1j s THR 111 Cb 0.09 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2g1j s THR 111 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2g1j n GLY 112 N -0.43 0.79 1.51 3.99 0.00 -1.26 -4.91 105.19 104.87 2g1j n GLY 112 Ca -0.02 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2g1j n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g1j n GLY 113 N -0.38 0.00 0.00 -0.02 0.00 -1.26 -5.20 105.19 98.33 2g1j n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g1j n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g1j n ALA 121 N -0.21 0.00 -2.26 4.61 0.00 -1.26 -5.30 120.51 116.10 2g1j n ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2g1j n ALA 121 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2g1j n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g1j n GLY 122 N -0.40 3.33 3.82 0.00 0.00 -1.26 -5.10 105.19 105.57 2g1j n GLY 122 Ca 0.00 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 2g1j n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g1j s PRO 123 N 2.66 4.24 0.33 1.61 0.04 -1.26 -5.08 135.00 137.53 2g1j s PRO 123 Ca 0.00 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2g1j s PRO 123 Cb 0.00 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2g1j s PRO 123 CO 0.00 0.10 0.57 0.16 0.04 0.00 0.00 177.00 177.87 2g1j s ASP 124 N -2.06 6.37 0.06 6.66 -4.77 -1.26 -4.83 116.67 116.83 2g1j s ASP 124 Ca 0.57 0.62 -0.11 0.00 -3.30 0.00 0.00 52.55 50.33 2g1j s ASP 124 Cb -0.11 -2.10 -0.02 0.00 -1.09 0.00 0.00 42.92 39.59 2g1j s ASP 124 CO 0.16 -0.27 0.55 -1.14 0.70 0.00 0.00 175.17 175.18 2g1j n ARG 125 N -1.38 -0.15 -0.01 2.11 0.63 -1.26 0.89 116.66 117.48 2g1j n ARG 125 Ca -0.03 0.54 0.02 0.00 -0.92 0.00 0.00 57.85 57.47 2g1j n ARG 125 Cb 0.55 -0.80 0.36 0.00 0.45 0.00 0.00 32.46 33.02 2g1j n ARG 125 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2g1j h ALA 126 N 0.20 1.54 -0.09 5.13 0.00 -1.99 -0.66 119.26 123.39 2g1j h ALA 126 Ca 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2g1j h ALA 126 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2g1j h ALA 126 CO -0.34 0.36 -0.52 1.49 0.00 0.00 0.00 179.25 180.24 2g1j h GLU 127 N 0.56 0.25 -0.11 0.00 4.81 0.13 -0.15 114.58 120.07 2g1j h GLU 127 Ca 0.14 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2g1j h GLU 127 Cb 0.11 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.51 2g1j h GLU 127 CO -0.02 0.71 -0.69 0.87 -0.73 0.00 0.00 179.01 179.16 2g1j h LYS 128 N 0.20 0.66 -0.53 1.92 1.57 -0.59 -2.14 116.57 117.66 2g1j h LYS 128 Ca 0.01 -0.56 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 2g1j h LYS 128 Cb 0.98 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2g1j h LYS 128 CO 0.08 1.18 0.00 -0.92 -0.57 0.00 0.00 179.45 179.22 2g1j h TYR 129 N 0.33 0.97 -0.35 -1.35 5.03 -1.07 -2.23 116.97 118.30 2g1j h TYR 129 Ca -0.05 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.08 2g1j h TYR 129 Cb 1.33 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 2g1j h TYR 129 CO 0.10 0.87 0.09 0.00 -1.32 0.00 0.00 178.16 177.91 2g1j h ARG 130 N 0.83 0.55 -0.69 1.82 3.08 -0.99 -1.84 114.38 117.14 2g1j h ARG 130 Ca 0.16 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2g1j h ARG 130 Cb 0.49 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2g1j h ARG 130 CO 0.02 0.60 0.31 0.00 -1.07 0.00 0.00 179.97 179.83 2g1j h ALA 131 N 0.93 1.24 -0.40 0.04 0.00 -1.25 -2.01 119.26 117.80 2g1j h ALA 131 Ca 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2g1j h ALA 131 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2g1j h ALA 131 CO 0.00 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 180.76 2g1j h LEU 132 N 0.99 0.95 -0.82 0.00 5.85 -1.27 -2.63 115.31 118.38 2g1j h LEU 132 Ca 0.24 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2g1j h LEU 132 Cb 0.14 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2g1j h LEU 132 CO -0.03 1.18 0.04 -0.03 -0.34 0.00 0.00 178.44 179.27 2g1j h MET 133 N 0.76 0.93 -0.72 1.25 4.05 -1.03 -1.21 114.93 118.97 2g1j h MET 133 Ca 0.08 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 2g1j h MET 133 Cb 0.89 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 2g1j h MET 133 CO 0.08 0.90 0.39 0.00 0.23 0.00 0.00 176.91 178.50 2g1j h ALA 134 N 1.17 1.33 0.00 0.39 0.00 -1.21 0.24 119.26 121.19 2g1j h ALA 134 Ca 0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2g1j h ALA 134 Cb 0.45 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2g1j h ALA 134 CO 0.02 0.54 -0.87 0.87 0.00 0.00 0.00 179.25 179.81 2g1j h LYS 135 N 1.00 0.00 0.08 0.00 1.57 -1.14 -3.39 116.57 114.68 2g1j h LYS 135 Ca 0.25 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.69 2g1j h LYS 135 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2g1j h LYS 135 CO -0.04 0.87 -1.93 0.54 -0.57 0.00 0.00 179.45 178.32 2g1j n ARG 136 N -3.48 0.69 -0.25 3.15 5.12 -0.48 -4.48 116.66 116.94 2g1j n ARG 136 Ca -0.00 0.32 0.04 0.00 -1.93 0.00 0.00 57.85 56.28 2g1j n ARG 136 Cb 0.84 -1.68 0.15 0.00 -1.16 0.00 0.00 32.46 30.60 2g1j n ARG 136 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2g1j h ALA 137 N -0.12 0.75 -0.97 7.54 0.00 -0.71 0.11 119.26 125.85 2g1j h ALA 137 Ca -0.44 0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2g1j h ALA 137 Cb 1.83 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.96 2g1j h ALA 137 CO -0.03 -0.42 0.62 -1.35 0.00 0.00 0.00 179.25 178.08 2g1j h PRO 138 N 0.10 1.03 -0.13 0.00 0.11 -1.79 -1.05 132.00 130.27 2g1j h PRO 138 Ca 0.39 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 2g1j h PRO 138 Cb 0.68 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2g1j h PRO 138 CO -0.64 0.68 -0.55 -0.07 -0.21 0.00 0.00 178.00 177.21 2g1j h LEU 139 N 1.06 0.44 -0.69 2.35 3.38 -1.25 -1.68 115.31 118.93 2g1j h LEU 139 Ca 0.44 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2g1j h LEU 139 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2g1j h LEU 139 CO -0.19 0.90 -0.43 1.88 0.09 0.00 0.00 178.44 180.70 2g1j h TYR 140 N 0.31 0.61 -0.53 1.13 0.05 -0.59 -2.69 116.97 115.26 2g1j h TYR 140 Ca 0.00 -0.18 -0.09 0.00 0.05 0.00 0.00 58.73 58.51 2g1j h TYR 140 Cb 1.06 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 2g1j h TYR 140 CO 0.03 0.86 -0.04 0.00 -1.05 0.00 0.00 178.16 177.95 2g1j h ARG 141 N 0.42 0.94 -0.55 4.88 3.08 -1.03 -1.80 114.38 120.32 2g1j h ARG 141 Ca 0.03 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 2g1j h ARG 141 Cb 0.92 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 2g1j h ARG 141 CO 0.08 0.96 0.13 -0.09 -1.07 0.00 0.00 179.97 179.97 2g1j h ARG 142 N 0.86 0.84 -0.00 0.04 2.43 -1.01 -3.15 114.38 114.38 2g1j h ARG 142 Ca 0.15 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2g1j h ARG 142 Cb 0.57 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2g1j h ARG 142 CO 0.03 0.76 -0.72 1.33 -1.51 0.00 0.00 179.97 179.86 2g1j n VAL 143 N -4.27 0.00 -2.37 0.20 0.24 -1.04 -4.98 118.33 106.11 2g1j n VAL 143 Ca 0.04 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 2g1j n VAL 143 Cb 0.23 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 2g1j n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g1j s ALA 144 N -2.82 3.30 -0.34 2.33 0.00 -0.68 -4.65 121.76 118.89 2g1j s ALA 144 Ca 0.13 0.95 0.10 0.00 0.00 0.00 0.00 51.96 53.14 2g1j s ALA 144 Cb 0.17 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 2g1j s ALA 144 CO 0.74 -0.35 0.38 0.25 0.00 0.00 0.00 175.76 176.77 2g1j n THR 145 N 0.62 0.00 -3.66 0.00 -2.24 0.05 -4.94 114.28 104.11 2g1j n THR 145 Ca 0.01 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2g1j n THR 145 Cb 0.45 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 2g1j n THR 145 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2g1j s MET 146 N -2.20 0.32 -0.32 -0.78 -2.45 -0.75 -4.94 119.30 108.17 2g1j s MET 146 Ca 0.02 0.97 -0.10 0.00 -1.25 0.00 0.00 55.69 55.33 2g1j s MET 146 Cb 0.07 0.24 -0.00 0.00 1.25 0.00 0.00 34.83 36.39 2g1j s MET 146 CO 0.43 -0.24 0.17 1.03 1.05 0.00 0.00 175.02 177.46 2g1j s ARG 147 N 2.39 3.28 -0.27 4.11 0.52 -1.26 -0.40 118.95 127.32 2g1j s ARG 147 Ca -0.03 -0.76 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 2g1j s ARG 147 Cb -0.11 -3.61 0.01 0.00 0.52 0.00 0.00 34.95 31.76 2g1j s ARG 147 CO -0.12 -0.46 0.02 0.08 0.02 0.00 0.00 175.30 174.84 2g1j s VAL 148 N 1.61 3.55 0.13 3.52 1.01 0.22 -4.96 120.40 125.48 2g1j s VAL 148 Ca 0.04 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 2g1j s VAL 148 Cb -0.17 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 2g1j s VAL 148 CO 0.07 0.17 1.28 -1.81 0.00 0.00 0.00 175.10 174.81 2g1j s ASP 149 N 1.44 6.97 -0.11 3.32 -0.00 -1.26 -1.20 116.67 125.83 2g1j s ASP 149 Ca 0.02 2.22 0.15 0.00 -0.00 0.00 0.00 52.55 54.94 2g1j s ASP 149 Cb -0.17 -2.59 0.24 0.00 -0.00 0.00 0.00 42.92 40.40 2g1j s ASP 149 CO -0.00 -0.52 1.12 0.35 -0.00 0.00 0.00 175.17 176.12 2g1j n THR 150 N 3.44 1.47 0.23 -1.27 -2.24 -0.55 -4.69 114.28 110.68 2g1j n THR 150 Ca 0.08 -1.83 0.08 0.00 -2.27 0.00 0.00 64.05 60.11 2g1j n THR 150 Cb 0.44 -0.06 0.56 0.00 -2.10 0.00 0.00 70.33 69.17 2g1j n THR 150 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2g1j h ASN 151 N 0.09 0.00 0.00 3.42 2.35 -1.91 -3.37 115.58 116.16 2g1j h ASN 151 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g1j h ASN 151 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2g1j h ASN 151 CO 0.00 0.20 -0.50 0.54 -1.65 0.00 0.00 177.43 176.03 2g1j n ARG 152 N -3.99 1.42 -1.36 0.81 3.00 -1.26 -5.08 116.66 110.20 2g1j n ARG 152 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.47 2g1j n ARG 152 Cb 0.28 -0.75 0.09 0.00 0.00 0.00 0.00 32.46 32.09 2g1j n ARG 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2g1j n ARG 153 N -1.46 0.53 -3.53 5.56 1.74 -1.26 -5.02 116.66 113.22 2g1j n ARG 153 Ca 0.00 0.24 -0.30 0.00 -0.77 0.00 0.00 57.85 57.02 2g1j n ARG 153 Cb 0.25 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 2g1j n ARG 153 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2g1j s ASN 154 N -1.69 6.50 0.24 0.55 2.20 -1.26 -4.93 114.94 116.54 2g1j s ASN 154 Ca 0.75 0.67 -0.15 0.00 -0.94 0.00 0.00 52.86 53.19 2g1j s ASN 154 Cb -0.34 -2.13 0.28 0.00 -2.00 0.00 0.00 41.25 37.07 2g1j s ASN 154 CO 0.49 -0.05 1.52 -2.65 -2.94 0.00 0.00 177.10 173.46 2g1j n PRO 155 N -0.31 -0.20 -0.03 3.55 -0.02 -1.26 -0.51 135.00 136.22 2g1j n PRO 155 Ca -0.02 1.51 0.10 0.00 -2.02 0.00 0.00 63.50 63.07 2g1j n PRO 155 Cb 0.53 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.27 2g1j n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2g1j h GLY 156 N 0.00 0.50 2.00 -1.23 0.00 -1.98 -1.75 103.07 100.61 2g1j h GLY 156 Ca 0.37 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 2g1j h GLY 156 CO -0.98 0.12 -0.76 0.00 0.00 0.00 0.00 176.54 174.92 2g1j h ALA 157 N 1.74 0.65 -0.12 3.60 0.00 -1.18 -2.49 119.26 121.46 2g1j h ALA 157 Ca 0.22 -0.70 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 2g1j h ALA 157 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2g1j h ALA 157 CO -0.05 0.96 -0.73 0.28 0.00 0.00 0.00 179.25 179.70 2g1j h VAL 158 N 0.00 1.33 -0.33 0.00 2.07 -0.76 -2.18 116.25 116.38 2g1j h VAL 158 Ca -0.01 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 2g1j h VAL 158 Cb 1.42 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 2g1j h VAL 158 CO 0.10 0.63 0.06 0.58 0.02 0.00 0.00 177.57 178.96 2g1j h VAL 159 N 0.41 1.23 -0.13 2.57 2.07 -1.31 -0.59 116.25 120.50 2g1j h VAL 159 Ca -0.04 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2g1j h VAL 159 Cb 1.33 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2g1j h VAL 159 CO 0.14 0.27 -0.03 0.03 0.02 0.00 0.00 177.57 177.99 2g1j h ARG 160 N 0.37 0.19 -0.18 1.57 3.08 -1.43 -0.88 114.38 117.11 2g1j h ARG 160 Ca 0.10 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2g1j h ARG 160 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2g1j h ARG 160 CO 0.01 0.24 -0.18 1.25 -1.07 0.00 0.00 179.97 180.21 2g1j h HIS 161 N 0.19 0.54 0.08 3.04 2.76 -0.81 -2.82 115.15 118.12 2g1j h HIS 161 Ca 0.05 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2g1j h HIS 161 Cb 0.19 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2g1j h HIS 161 CO 0.00 0.81 -0.04 0.82 -1.30 0.00 0.00 177.93 178.23 2g1j h ILE 162 N 0.10 0.97 -1.00 6.26 2.04 -0.67 -2.87 117.51 122.33 2g1j h ILE 162 Ca 0.03 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 65.96 2g1j h ILE 162 Cb 0.72 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.75 2g1j h ILE 162 CO 0.05 0.03 0.61 -0.07 0.00 0.00 0.00 178.15 178.77 2g1j h LEU 163 N -0.17 0.74 -0.13 1.44 3.38 -1.21 0.29 115.31 119.67 2g1j h LEU 163 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2g1j h LEU 163 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2g1j h LEU 163 CO 0.02 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.24 2g1j n SER 164 N -4.78 0.10 -0.00 -0.43 3.41 -1.07 -2.24 113.62 108.60 2g1j n SER 164 Ca 0.24 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.43 2g1j n SER 164 Cb 0.63 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 2g1j n SER 164 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2g1j n ARG 165 N -1.61 3.38 -2.60 4.33 3.00 0.97 -5.00 116.66 119.13 2g1j n ARG 165 Ca 0.02 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.44 2g1j n ARG 165 Cb 0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 32.46 31.56 2g1j n ARG 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2g1j s LEU 166 N -2.55 4.40 0.00 0.55 1.43 -0.82 -5.12 118.68 116.57 2g1j s LEU 166 Ca 0.04 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2g1j s LEU 166 Cb 0.08 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2g1j s LEU 166 CO 0.44 -0.30 0.00 0.00 0.23 0.00 0.00 176.35 176.71