#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj4 s VAL 9 N 0.00 5.24 0.03 1.69 1.01 -1.26 -5.05 120.40 122.06 3gj4 s VAL 9 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3gj4 s VAL 9 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3gj4 s VAL 9 CO 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 175.10 174.75 3gj4 s GLN 10 N 1.72 0.44 -0.02 2.72 -2.07 -1.26 -0.50 119.66 120.69 3gj4 s GLN 10 Ca 0.06 -0.85 0.01 0.00 -1.82 0.00 0.00 55.36 52.75 3gj4 s GLN 10 Cb -0.19 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.90 3gj4 s GLN 10 CO 0.10 -0.08 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.92 3gj4 s PHE 11 N -2.46 0.30 -0.07 9.60 0.08 -0.13 -4.96 117.98 120.35 3gj4 s PHE 11 Ca -0.07 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 3gj4 s PHE 11 Cb -0.03 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 3gj4 s PHE 11 CO -0.05 -0.07 1.23 0.21 -0.10 0.00 0.00 175.22 176.45 3gj4 s LYS 12 N 0.45 4.33 -0.23 0.44 2.20 -1.26 -0.90 119.74 124.77 3gj4 s LYS 12 Ca -0.04 1.70 -0.00 0.00 -0.36 0.00 0.00 55.97 57.26 3gj4 s LYS 12 Cb -0.07 -3.59 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3gj4 s LYS 12 CO -0.01 -0.50 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.22 3gj4 s LEU 13 N 2.41 2.97 -0.06 5.43 0.20 0.94 -1.12 118.68 129.45 3gj4 s LEU 13 Ca 0.56 -0.88 -0.21 0.00 0.69 0.00 0.00 54.13 54.30 3gj4 s LEU 13 Cb -0.25 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3gj4 s LEU 13 CO 0.21 -0.10 0.59 0.68 -0.29 0.00 0.00 176.35 177.44 3gj4 s VAL 14 N 1.29 5.04 -0.31 1.68 -7.23 -0.89 0.18 120.40 120.16 3gj4 s VAL 14 Ca 0.00 1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 61.33 3gj4 s VAL 14 Cb -0.16 -3.93 0.03 0.00 0.56 0.00 0.00 36.38 32.88 3gj4 s VAL 14 CO -0.06 0.34 0.06 -0.22 -0.31 0.00 0.00 175.10 174.91 3gj4 s LEU 15 N 0.37 4.02 0.37 1.32 2.96 -1.07 -2.06 118.68 124.60 3gj4 s LEU 15 Ca 0.31 -1.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.23 3gj4 s LEU 15 Cb -0.17 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 3gj4 s LEU 15 CO 0.15 -0.26 0.07 0.68 -1.32 0.00 0.00 176.35 175.67 3gj4 s VAL 16 N 1.39 1.12 0.00 1.68 -7.23 -0.63 -4.67 120.40 112.06 3gj4 s VAL 16 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3gj4 s VAL 16 Cb -0.19 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3gj4 s VAL 16 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3gj4 n GLY 17 N -0.83 4.09 3.60 2.32 0.00 -1.26 -0.72 105.19 112.39 3gj4 n GLY 17 Ca -0.05 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3gj4 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj4 n ASP 18 N 0.00 0.59 -4.68 1.61 9.92 -1.25 -4.92 116.55 117.81 3gj4 n ASP 18 Ca 0.00 0.81 -0.40 0.00 -0.53 0.00 0.00 54.79 54.67 3gj4 n ASP 18 Cb 0.00 -1.36 0.03 0.00 -0.64 0.00 0.00 41.12 39.15 3gj4 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gj4 n GLY 19 N 1.34 0.34 2.20 0.44 0.00 -1.26 -2.69 105.19 105.56 3gj4 n GLY 19 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3gj4 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj4 n GLY 20 N 0.94 0.64 0.11 -0.02 0.00 -1.26 -4.91 105.19 100.69 3gj4 n GLY 20 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3gj4 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gj4 h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.48 112.91 111.52 3gj4 h THR 21 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3gj4 h THR 21 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3gj4 h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj4 n GLY 22 N 1.28 1.81 0.25 5.82 0.00 -1.26 -4.63 105.19 108.46 3gj4 n GLY 22 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3gj4 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gj4 h LYS 23 N 0.00 0.83 -0.17 1.61 1.57 -1.92 -1.31 116.57 117.19 3gj4 h LYS 23 Ca 0.00 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3gj4 h LYS 23 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3gj4 h LYS 23 CO 0.00 0.77 -0.07 1.15 -0.57 0.00 0.00 179.45 180.73 3gj4 h THR 24 N 0.74 1.31 -0.90 -0.16 2.02 -1.95 -1.87 112.91 112.10 3gj4 h THR 24 Ca 0.17 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.34 3gj4 h THR 24 Cb 0.29 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 3gj4 h THR 24 CO -0.00 0.33 0.56 0.74 0.37 0.00 0.00 175.52 177.51 3gj4 h THR 25 N 0.03 0.99 0.47 3.16 2.02 -1.97 -1.97 112.91 115.64 3gj4 h THR 25 Ca 0.04 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3gj4 h THR 25 Cb 0.54 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3gj4 h THR 25 CO 0.02 0.18 -0.22 0.15 0.37 0.00 0.00 175.52 176.01 3gj4 h PHE 26 N 0.96 -0.58 -0.52 3.16 3.57 -1.08 -3.08 116.94 119.37 3gj4 h PHE 26 Ca 0.41 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.93 3gj4 h PHE 26 Cb 0.28 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3gj4 h PHE 26 CO -0.03 -0.26 0.35 -0.24 -2.23 0.00 0.00 178.31 175.90 3gj4 h VAL 27 N -0.99 1.06 0.00 1.41 3.04 -1.29 -2.19 116.25 117.29 3gj4 h VAL 27 Ca -0.06 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3gj4 h VAL 27 Cb 0.58 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3gj4 h VAL 27 CO 0.11 0.11 0.00 0.29 -1.01 0.00 0.00 177.57 177.06 3gj4 n LYS 28 N -4.47 0.01 -0.23 4.17 5.02 -0.75 -2.60 118.16 119.31 3gj4 n LYS 28 Ca 0.06 0.22 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 3gj4 n LYS 28 Cb 0.14 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.92 3gj4 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gj4 h ARG 29 N 0.00 0.95 -6.48 1.97 2.47 -1.31 -3.40 114.38 108.58 3gj4 h ARG 29 Ca 0.00 -0.06 -0.57 0.00 -1.26 0.00 0.00 59.98 58.10 3gj4 h ARG 29 Cb 0.28 -0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 3gj4 h ARG 29 CO 0.00 0.63 0.98 -1.58 0.56 0.00 0.00 179.97 180.55 3gj4 s HIS 30 N -5.83 2.68 0.11 3.04 2.46 -1.07 -1.39 115.29 115.28 3gj4 s HIS 30 Ca -0.11 0.81 -0.14 0.00 0.47 0.00 0.00 55.06 56.09 3gj4 s HIS 30 Cb 0.19 -4.12 -0.08 0.00 -0.13 0.00 0.00 32.58 28.44 3gj4 s HIS 30 CO 0.78 -1.60 1.42 -0.07 -2.47 0.00 0.00 174.74 172.81 3gj4 h LEU 31 N 11.26 0.81 -0.61 8.88 3.38 -1.69 -1.34 115.31 136.01 3gj4 h LEU 31 Ca -0.25 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.09 3gj4 h LEU 31 Cb 1.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3gj4 h LEU 31 CO 1.07 1.13 -0.48 0.74 0.09 0.00 0.00 178.44 180.99 3gj4 h THR 32 N 0.51 1.31 -0.80 0.22 2.02 -1.91 -1.45 112.91 112.82 3gj4 h THR 32 Ca 0.04 -1.69 0.07 0.00 0.77 0.00 0.00 66.41 65.61 3gj4 h THR 32 Cb 0.91 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 3gj4 h THR 32 CO 0.08 0.53 0.47 1.23 0.37 0.00 0.00 175.52 178.20 3gj4 h GLY 33 N 1.08 1.20 0.98 2.16 0.00 -1.59 0.24 103.07 107.13 3gj4 h GLY 33 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3gj4 h GLY 33 CO 0.09 0.20 -0.11 -2.09 0.00 0.00 0.00 176.54 174.63 3gj4 h GLU 34 N 0.84 0.76 0.00 4.80 4.57 -0.72 -2.05 114.58 122.79 3gj4 h GLU 34 Ca 0.36 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 58.13 3gj4 h GLU 34 Cb 0.22 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3gj4 h GLU 34 CO -0.19 0.91 -0.53 0.66 -1.18 0.00 0.00 179.01 178.68 3gj4 h SER 35 N 0.57 0.00 -0.59 1.04 4.64 -0.78 -3.21 113.55 115.22 3gj4 h SER 35 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3gj4 h SER 35 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3gj4 h SER 35 CO 0.04 0.53 0.00 -0.62 -0.87 0.00 0.00 176.83 175.91 3gj4 n GLU 36 N -3.50 2.71 -1.67 4.77 1.02 0.03 -5.01 120.64 118.98 3gj4 n GLU 36 Ca 0.00 -2.45 -0.37 0.00 -0.02 0.00 0.00 57.16 54.32 3gj4 n GLU 36 Cb 0.63 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.64 3gj4 n GLU 36 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3gj4 n LYS 37 N 1.34 1.02 -5.14 3.49 2.85 -0.77 -4.67 118.16 116.28 3gj4 n LYS 37 Ca 0.21 0.41 -0.32 0.00 -1.05 0.00 0.00 58.31 57.55 3gj4 n LYS 37 Cb 0.57 -2.49 -0.16 0.00 -0.65 0.00 0.00 35.03 32.30 3gj4 n LYS 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3gj4 s LYS 38 N -3.36 2.85 -0.05 -1.58 1.02 0.03 -4.92 119.74 113.73 3gj4 s LYS 38 Ca 0.82 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 3gj4 s LYS 38 Cb -0.38 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3gj4 s LYS 38 CO 0.42 0.31 0.67 -0.47 -0.92 0.00 0.00 175.35 175.35 3gj4 s TYR 39 N 0.04 3.60 -0.64 3.18 5.04 -1.26 -0.06 117.35 127.25 3gj4 s TYR 39 Ca -0.09 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.74 3gj4 s TYR 39 Cb -0.15 -2.75 0.16 0.00 0.35 0.00 0.00 41.96 39.57 3gj4 s TYR 39 CO 0.05 0.16 0.46 0.08 -1.34 0.00 0.00 175.55 174.96 3gj4 s VAL 40 N 0.54 3.88 0.19 3.14 1.01 0.37 -4.97 120.40 124.56 3gj4 s VAL 40 Ca 0.35 -2.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.34 3gj4 s VAL 40 Cb -0.18 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.78 3gj4 s VAL 40 CO 0.18 -0.88 1.81 0.00 0.00 0.00 0.00 175.10 176.21 3gj4 h ALA 41 N 7.15 0.74 -0.59 5.51 0.00 -1.96 0.04 119.26 130.15 3gj4 h ALA 41 Ca -0.01 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3gj4 h ALA 41 Cb 0.96 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3gj4 h ALA 41 CO 0.72 0.03 0.41 1.79 0.00 0.00 0.00 179.25 182.20 3gj4 h THR 42 N 0.64 0.82 -0.01 0.00 1.35 -1.96 -1.98 112.91 111.76 3gj4 h THR 42 Ca 0.24 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 3gj4 h THR 42 Cb 0.07 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 3gj4 h THR 42 CO -0.12 0.05 -0.07 0.18 -0.25 0.00 0.00 175.52 175.30 3gj4 n LEU 43 N -4.44 1.87 -3.61 3.87 4.77 -0.82 -5.00 117.00 113.63 3gj4 n LEU 43 Ca 0.10 -0.93 -0.23 0.00 -0.03 0.00 0.00 56.01 54.92 3gj4 n LEU 43 Cb 0.48 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 3gj4 n LEU 43 CO 0.35 0.35 -0.05 0.61 -1.33 0.00 0.00 177.39 177.32 3gj4 n GLY 44 N 0.80 -0.63 3.16 -0.72 0.00 -0.06 -4.90 105.19 102.84 3gj4 n GLY 44 Ca 0.07 0.29 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 3gj4 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj4 s VAL 45 N -3.56 1.29 -0.23 1.61 1.01 -0.81 -2.96 120.40 116.74 3gj4 s VAL 45 Ca 0.20 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3gj4 s VAL 45 Cb -0.05 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3gj4 s VAL 45 CO 0.81 0.22 0.03 -1.61 0.00 0.00 0.00 175.10 174.55 3gj4 s GLU 46 N -0.76 3.60 -0.29 2.72 2.02 -0.70 0.14 118.70 125.43 3gj4 s GLU 46 Ca 0.05 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 3gj4 s GLU 46 Cb -0.07 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3gj4 s GLU 46 CO 0.00 -0.13 0.26 0.08 0.02 0.00 0.00 175.26 175.49 3gj4 s VAL 47 N 1.41 5.26 -0.34 2.63 1.01 0.91 -1.32 120.40 129.96 3gj4 s VAL 47 Ca 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3gj4 s VAL 47 Cb -0.15 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3gj4 s VAL 47 CO 0.02 0.18 0.20 -1.00 0.00 0.00 0.00 175.10 174.50 3gj4 s HIS 48 N 1.86 3.21 -0.55 5.22 3.76 -0.49 -0.79 115.29 127.51 3gj4 s HIS 48 Ca 0.09 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 54.17 3gj4 s HIS 48 Cb -0.16 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.13 3gj4 s HIS 48 CO 0.11 -0.48 1.20 -1.25 -0.85 0.00 0.00 174.74 173.47 3gj4 s PRO 49 N 1.64 3.55 -0.43 8.40 0.05 -1.26 -1.16 135.00 145.78 3gj4 s PRO 49 Ca 0.05 0.35 -0.12 0.00 0.05 0.00 0.00 61.00 61.33 3gj4 s PRO 49 Cb -0.18 -4.00 0.07 0.00 0.05 0.00 0.00 34.50 30.44 3gj4 s PRO 49 CO 0.08 -1.63 0.30 -0.51 0.05 0.00 0.00 177.00 175.28 3gj4 s LEU 50 N 4.94 5.24 0.04 -3.56 1.43 0.10 -3.71 118.68 123.15 3gj4 s LEU 50 Ca 0.45 -1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 51.98 3gj4 s LEU 50 Cb -0.08 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3gj4 s LEU 50 CO 0.27 -0.54 0.73 -0.69 0.23 0.00 0.00 176.35 176.35 3gj4 s VAL 51 N 1.53 4.76 -0.02 -1.59 1.01 -1.26 -0.80 120.40 124.03 3gj4 s VAL 51 Ca 0.03 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.63 3gj4 s VAL 51 Cb -0.23 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3gj4 s VAL 51 CO 0.05 0.38 -0.21 -0.36 0.00 0.00 0.00 175.10 174.96 3gj4 s PHE 52 N -0.09 1.86 -0.31 5.22 0.40 -0.44 -4.82 117.98 119.80 3gj4 s PHE 52 Ca 0.37 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 3gj4 s PHE 52 Cb -0.20 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 3gj4 s PHE 52 CO 0.22 -0.04 0.21 -1.01 0.70 0.00 0.00 175.22 175.29 3gj4 s HIS 53 N -0.45 3.22 0.40 0.36 3.76 -1.26 -1.10 115.29 120.21 3gj4 s HIS 53 Ca 0.07 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.98 3gj4 s HIS 53 Cb -0.08 -2.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.13 3gj4 s HIS 53 CO -0.01 -0.27 0.14 0.95 -0.85 0.00 0.00 174.74 174.71 3gj4 s THR 54 N 1.73 2.37 -0.16 1.30 -4.23 0.07 0.15 115.64 116.87 3gj4 s THR 54 Ca 0.06 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 59.09 3gj4 s THR 54 Cb -0.17 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 70.99 3gj4 s THR 54 CO 0.10 -0.04 1.82 -0.55 -0.54 0.00 0.00 174.62 175.41 3gj4 h ASN 55 N 1.51 0.00 -0.52 3.99 -1.07 -1.65 -0.91 115.58 116.94 3gj4 h ASN 55 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 3gj4 h ASN 55 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3gj4 h ASN 55 CO 0.70 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.74 3gj4 n ARG 56 N -2.48 3.73 0.00 4.14 5.12 -1.26 -5.07 116.66 120.85 3gj4 n ARG 56 Ca 0.00 -2.51 0.00 0.00 -1.93 0.00 0.00 57.85 53.41 3gj4 n ARG 56 Cb 0.16 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 3gj4 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gj4 n GLY 57 N 0.79 -2.13 3.75 -0.13 0.00 -0.35 -5.00 105.19 102.13 3gj4 n GLY 57 Ca 0.22 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3gj4 n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj4 s PRO 58 N -0.25 4.83 -0.08 1.61 0.02 -1.26 -0.75 135.00 139.12 3gj4 s PRO 58 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 61.00 62.51 3gj4 s PRO 58 Cb 0.00 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.31 3gj4 s PRO 58 CO 0.00 0.49 -0.13 0.96 -0.33 0.00 0.00 177.00 178.00 3gj4 s ILE 59 N -1.23 1.22 -0.22 2.83 -4.36 -0.26 -4.42 121.20 114.75 3gj4 s ILE 59 Ca 0.42 -0.51 -0.06 0.00 -0.26 0.00 0.00 60.65 60.24 3gj4 s ILE 59 Cb -0.25 -1.12 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 3gj4 s ILE 59 CO 0.31 0.38 0.03 -0.75 0.24 0.00 0.00 174.94 175.15 3gj4 s LYS 60 N 0.79 3.62 -0.39 0.37 2.20 0.34 -1.33 119.74 125.35 3gj4 s LYS 60 Ca -0.12 -0.51 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 3gj4 s LYS 60 Cb -0.15 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3gj4 s LYS 60 CO 0.02 -0.08 0.34 -0.06 -0.36 0.00 0.00 175.35 175.21 3gj4 s PHE 61 N 1.28 3.21 -0.75 4.03 0.08 0.02 -0.95 117.98 124.90 3gj4 s PHE 61 Ca 0.04 -0.37 -0.26 0.00 0.12 0.00 0.00 56.93 56.46 3gj4 s PHE 61 Cb -0.15 -2.68 0.04 0.00 -0.57 0.00 0.00 43.02 39.67 3gj4 s PHE 61 CO 0.02 -0.56 1.23 -0.80 -0.10 0.00 0.00 175.22 175.00 3gj4 s ASN 62 N 1.73 6.19 -0.25 1.36 0.01 -0.08 0.01 114.94 123.92 3gj4 s ASN 62 Ca 0.08 -0.66 -0.21 0.00 -0.71 0.00 0.00 52.86 51.37 3gj4 s ASN 62 Cb -0.18 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3gj4 s ASN 62 CO 0.11 -1.72 0.64 -0.69 -1.51 0.00 0.00 177.10 173.93 3gj4 s VAL 63 N 5.30 4.98 -0.32 1.60 1.01 -0.31 -0.04 120.40 132.61 3gj4 s VAL 63 Ca 0.33 1.16 -0.23 0.00 0.00 0.00 0.00 61.98 63.23 3gj4 s VAL 63 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3gj4 s VAL 63 CO 0.12 0.02 0.79 0.26 0.00 0.00 0.00 175.10 176.29 3gj4 s TRP 64 N 2.52 3.18 -0.16 5.22 0.52 0.13 -1.39 118.94 128.96 3gj4 s TRP 64 Ca 0.27 0.75 -0.01 0.00 0.02 0.00 0.00 56.10 57.12 3gj4 s TRP 64 Cb -0.15 -3.26 -0.01 0.00 -1.15 0.00 0.00 33.47 28.89 3gj4 s TRP 64 CO 0.08 -0.61 -0.10 0.34 0.02 0.00 0.00 176.95 176.69 3gj4 s ASP 65 N 1.67 4.17 1.06 2.95 2.15 -0.43 -2.60 116.67 125.64 3gj4 s ASP 65 Ca 0.32 -0.32 -0.12 0.00 0.43 0.00 0.00 52.55 52.86 3gj4 s ASP 65 Cb -0.14 -1.66 0.22 0.00 -0.30 0.00 0.00 42.92 41.04 3gj4 s ASP 65 CO 0.14 0.12 1.07 0.42 -0.17 0.00 0.00 175.17 176.74 3gj4 s THR 66 N 0.63 2.14 -0.41 1.71 -4.23 -1.26 -1.73 115.64 112.49 3gj4 s THR 66 Ca -0.06 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 3gj4 s THR 66 Cb -0.15 -2.20 0.54 0.00 1.34 0.00 0.00 72.50 72.03 3gj4 s THR 66 CO 0.03 -0.06 1.68 0.00 -0.54 0.00 0.00 174.62 175.72 3gj4 n ALA 67 N -4.56 5.16 0.00 3.99 0.00 -1.16 -4.77 120.51 119.19 3gj4 n ALA 67 Ca 0.06 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.28 3gj4 n ALA 67 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3gj4 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj4 n GLY 68 N -1.05 0.29 0.42 0.00 0.00 -1.26 -4.95 105.19 98.64 3gj4 n GLY 68 Ca 0.48 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.73 3gj4 n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gj4 h GLN 69 N 3.86 0.00 0.00 1.61 7.50 -1.93 -0.80 115.11 125.35 3gj4 h GLN 69 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3gj4 h GLN 69 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3gj4 h GLN 69 CO 0.00 0.00 0.06 -0.85 -1.50 0.00 0.00 178.83 176.54 3gj4 n GLU 70 N -3.98 0.13 0.26 1.46 0.00 -1.26 -1.11 120.64 116.15 3gj4 n GLU 70 Ca 0.12 0.63 0.16 0.00 0.00 0.00 0.00 57.16 58.07 3gj4 n GLU 70 Cb 0.77 -2.00 0.61 0.00 0.00 0.00 0.00 31.44 30.82 3gj4 n GLU 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3gj4 h LYS 71 N 0.00 0.00 -0.03 3.44 1.57 -1.53 -3.29 116.57 116.73 3gj4 h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj4 h LYS 71 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3gj4 h LYS 71 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 3gj4 n PHE 72 N -3.04 0.04 -0.49 -1.35 3.72 -0.26 -5.02 117.46 111.06 3gj4 n PHE 72 Ca 0.01 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3gj4 n PHE 72 Cb 0.33 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3gj4 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gj4 n GLY 73 N 0.27 -0.99 3.61 1.37 0.00 -1.24 -5.14 105.19 103.08 3gj4 n GLY 73 Ca 0.04 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3gj4 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gj4 s GLY 74 N 0.00 1.62 0.26 -0.02 0.00 -1.26 -4.33 107.32 103.59 3gj4 s GLY 74 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.86 3gj4 s GLY 74 CO 0.00 0.76 0.55 1.08 0.00 0.00 0.00 173.10 175.48 3gj4 s LEU 75 N -6.78 4.11 0.66 0.66 1.43 -1.26 -4.91 118.68 112.58 3gj4 s LEU 75 Ca 0.67 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 3gj4 s LEU 75 Cb -0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3gj4 s LEU 75 CO 0.60 -0.14 1.15 -0.13 0.23 0.00 0.00 176.35 178.07 3gj4 s ARG 76 N -3.21 2.68 0.27 1.70 0.52 -1.26 -4.92 118.95 114.72 3gj4 s ARG 76 Ca 0.45 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 3gj4 s ARG 76 Cb -0.11 -1.92 0.58 0.00 0.52 0.00 0.00 34.95 34.02 3gj4 s ARG 76 CO 0.26 -1.38 1.76 -0.44 0.02 0.00 0.00 175.30 175.52 3gj4 h ASP 77 N 0.17 0.56 -0.80 0.23 5.19 -2.01 -1.24 116.42 118.53 3gj4 h ASP 77 Ca -0.48 0.10 0.17 0.00 -0.62 0.00 0.00 57.03 56.20 3gj4 h ASP 77 Cb 1.27 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 3gj4 h ASP 77 CO 0.53 0.22 0.54 1.23 -3.12 0.00 0.00 179.24 178.64 3gj4 h GLY 78 N 0.64 0.69 0.87 2.75 0.00 -1.95 0.11 103.07 106.18 3gj4 h GLY 78 Ca 0.49 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.68 3gj4 h GLY 78 CO -0.37 0.03 0.47 -1.82 0.00 0.00 0.00 176.54 174.85 3gj4 h TYR 79 N 0.37 0.88 0.00 5.60 3.20 -1.58 -3.16 116.97 122.28 3gj4 h TYR 79 Ca 0.40 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.16 3gj4 h TYR 79 Cb 1.00 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3gj4 h TYR 79 CO -0.00 0.50 -0.93 1.88 -1.64 0.00 0.00 178.16 177.97 3gj4 h TYR 80 N 0.91 0.00 -2.19 -3.82 0.05 -0.94 -3.46 116.97 107.52 3gj4 h TYR 80 Ca 0.30 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.48 3gj4 h TYR 80 Cb 0.02 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.80 3gj4 h TYR 80 CO -0.04 0.54 0.93 -0.89 -1.05 0.00 0.00 178.16 177.65 3gj4 n ILE 81 N -3.07 0.24 -1.01 -2.88 5.41 -0.22 -1.67 119.36 116.17 3gj4 n ILE 81 Ca -0.03 -0.04 -0.00 0.00 1.00 0.00 0.00 62.75 63.67 3gj4 n ILE 81 Cb 0.78 -1.69 -0.00 0.00 -0.71 0.00 0.00 39.64 38.02 3gj4 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gj4 n GLN 82 N 4.77 -0.75 -1.85 0.38 1.13 -1.26 -4.99 117.38 114.82 3gj4 n GLN 82 Ca 0.19 0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 55.06 3gj4 n GLN 82 Cb 0.29 -3.79 0.00 0.00 0.11 0.00 0.00 30.24 26.85 3gj4 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gj4 s ALA 83 N -1.65 3.48 -0.26 -1.58 0.00 -0.67 -4.69 121.76 116.40 3gj4 s ALA 83 Ca 0.00 1.51 0.11 0.00 0.00 0.00 0.00 51.96 53.57 3gj4 s ALA 83 Cb 0.00 -3.59 -0.14 0.00 0.00 0.00 0.00 23.12 19.39 3gj4 s ALA 83 CO 0.00 -1.03 0.34 1.04 0.00 0.00 0.00 175.76 176.11 3gj4 n GLN 84 N 0.35 1.95 -3.83 0.00 6.02 -0.28 -4.99 117.38 116.61 3gj4 n GLN 84 Ca 0.02 -0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.88 3gj4 n GLN 84 Cb 0.40 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.54 3gj4 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj4 s ALA 86 N -3.03 -1.43 -0.07 0.00 0.00 -0.87 -2.08 121.76 114.27 3gj4 s ALA 86 Ca 0.14 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.61 3gj4 s ALA 86 Cb -0.05 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 3gj4 s ALA 86 CO 0.09 -0.66 -0.21 0.42 0.00 0.00 0.00 175.76 175.40 3gj4 s ILE 87 N -3.30 1.81 -0.17 0.00 1.01 -0.87 -1.14 121.20 118.54 3gj4 s ILE 87 Ca -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3gj4 s ILE 87 Cb -0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3gj4 s ILE 87 CO -0.09 0.51 -0.03 -0.63 0.00 0.00 0.00 174.94 174.70 3gj4 s ILE 88 N 0.21 3.88 -0.00 2.92 1.01 0.39 -1.60 121.20 128.01 3gj4 s ILE 88 Ca -0.12 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.24 3gj4 s ILE 88 Cb -0.15 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 3gj4 s ILE 88 CO 0.06 0.47 -0.19 -0.32 0.00 0.00 0.00 174.94 174.96 3gj4 s MET 89 N 0.61 2.20 0.24 2.79 1.75 0.10 -0.49 119.30 126.51 3gj4 s MET 89 Ca -0.02 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 53.54 3gj4 s MET 89 Cb -0.14 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.27 3gj4 s MET 89 CO 0.02 0.57 0.10 -0.59 -0.65 0.00 0.00 175.02 174.48 3gj4 s PHE 90 N -0.79 1.44 -0.28 4.11 -0.71 -0.58 -3.97 117.98 117.21 3gj4 s PHE 90 Ca 0.12 -1.23 -0.10 0.00 -1.04 0.00 0.00 56.93 54.69 3gj4 s PHE 90 Cb -0.10 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 3gj4 s PHE 90 CO 0.02 -0.41 0.15 0.34 -1.34 0.00 0.00 175.22 173.98 3gj4 s ASP 91 N -3.27 5.67 0.05 1.98 -1.08 -1.26 -0.69 116.67 118.07 3gj4 s ASP 91 Ca 0.38 -0.16 0.13 0.00 -0.52 0.00 0.00 52.55 52.37 3gj4 s ASP 91 Cb 0.08 -2.04 0.55 0.00 -1.46 0.00 0.00 42.92 40.04 3gj4 s ASP 91 CO 0.13 -0.07 1.40 1.33 0.52 0.00 0.00 175.17 178.48 3gj4 n VAL 92 N 5.01 1.22 -0.72 1.11 0.24 -0.86 -0.95 118.33 123.38 3gj4 n VAL 92 Ca -0.15 0.33 0.09 0.00 -2.04 0.00 0.00 64.34 62.57 3gj4 n VAL 92 Cb 0.51 -1.18 0.37 0.00 -1.47 0.00 0.00 33.84 32.07 3gj4 n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gj4 n THR 93 N -1.64 2.13 -3.39 3.34 -2.24 -1.26 -0.19 114.28 111.02 3gj4 n THR 93 Ca 0.02 -1.29 -0.19 0.00 -2.27 0.00 0.00 64.05 60.33 3gj4 n THR 93 Cb 0.13 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 3gj4 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gj4 s SER 94 N -0.92 1.66 0.32 3.42 0.15 -0.13 -4.80 113.70 113.40 3gj4 s SER 94 Ca 0.52 -1.23 0.09 0.00 0.70 0.00 0.00 55.95 56.03 3gj4 s SER 94 Cb 0.35 0.42 0.86 0.00 -1.71 0.00 0.00 66.02 65.94 3gj4 s SER 94 CO 0.21 -0.33 1.76 0.03 1.20 0.00 0.00 173.24 176.11 3gj4 h ARG 95 N 7.68 0.61 -0.94 5.44 3.08 -1.87 -0.91 114.38 127.47 3gj4 h ARG 95 Ca -0.05 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3gj4 h ARG 95 Cb 1.06 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 3gj4 h ARG 95 CO 0.28 0.40 0.62 -0.24 -1.07 0.00 0.00 179.97 179.97 3gj4 h VAL 96 N 0.63 1.21 -0.85 2.04 3.04 -1.95 -1.14 116.25 119.22 3gj4 h VAL 96 Ca 0.61 -0.43 -0.00 0.00 -1.01 0.00 0.00 66.70 65.87 3gj4 h VAL 96 Cb 1.13 -0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.23 3gj4 h VAL 96 CO -0.41 0.23 0.52 0.71 -1.01 0.00 0.00 177.57 177.61 3gj4 h THR 97 N 1.25 1.23 -0.90 3.17 1.35 -1.46 -0.84 112.91 116.71 3gj4 h THR 97 Ca 0.36 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 3gj4 h THR 97 Cb -0.09 0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 66.31 3gj4 h THR 97 CO -0.09 0.24 0.51 0.22 -0.25 0.00 0.00 175.52 176.15 3gj4 h TYR 98 N 1.17 1.22 -0.02 4.73 3.20 -1.39 -2.78 116.97 123.10 3gj4 h TYR 98 Ca 0.31 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3gj4 h TYR 98 Cb -0.06 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.80 3gj4 h TYR 98 CO -0.00 0.83 -0.21 0.87 -1.64 0.00 0.00 178.16 178.01 3gj4 h LYS 99 N 1.25 0.03 -0.00 1.82 1.57 -0.07 -2.34 116.57 118.84 3gj4 h LYS 99 Ca 0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3gj4 h LYS 99 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gj4 h LYS 99 CO -0.05 0.24 -0.06 0.09 -0.57 0.00 0.00 179.45 179.10 3gj4 n ASN 100 N -4.28 0.08 -0.19 0.86 3.02 -0.43 -4.22 115.26 110.10 3gj4 n ASN 100 Ca -0.02 0.25 -0.01 0.00 -0.03 0.00 0.00 54.58 54.77 3gj4 n ASN 100 Cb 0.28 -0.36 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3gj4 n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gj4 h VAL 101 N 0.03 0.75 -0.85 2.41 2.07 -1.31 -1.66 116.25 117.69 3gj4 h VAL 101 Ca 0.00 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 3gj4 h VAL 101 Cb 0.45 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 3gj4 h VAL 101 CO 0.00 0.06 0.46 -0.65 0.02 0.00 0.00 177.57 177.46 3gj4 h PRO 102 N 0.36 0.67 -0.72 1.57 0.11 -1.79 -0.99 132.00 131.20 3gj4 h PRO 102 Ca 0.29 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.38 3gj4 h PRO 102 Cb 0.37 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.29 3gj4 h PRO 102 CO -0.32 0.44 0.46 -0.91 -0.21 0.00 0.00 178.00 177.47 3gj4 h ASN 103 N 0.69 0.78 -0.28 -2.05 -0.26 -1.58 -0.35 115.58 112.53 3gj4 h ASN 103 Ca 0.45 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 56.15 3gj4 h ASN 103 Cb 0.57 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3gj4 h ASN 103 CO -0.33 0.55 0.06 -0.50 -1.06 0.00 0.00 177.43 176.16 3gj4 h TRP 104 N 0.93 0.47 -0.24 1.19 4.06 -1.11 -1.50 115.95 119.75 3gj4 h TRP 104 Ca 0.27 -0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.22 3gj4 h TRP 104 Cb -0.05 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 3gj4 h TRP 104 CO -0.03 0.53 -0.12 1.25 -3.56 0.00 0.00 178.44 176.52 3gj4 h HIS 105 N 0.28 -0.28 -0.02 0.49 2.76 -0.97 -0.37 115.15 117.04 3gj4 h HIS 105 Ca 0.09 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3gj4 h HIS 105 Cb 0.31 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.38 3gj4 h HIS 105 CO 0.02 -0.18 -0.25 -0.09 -1.30 0.00 0.00 177.93 176.12 3gj4 h ARG 106 N -0.09 -0.37 -0.48 5.26 2.43 -0.77 0.65 114.38 121.01 3gj4 h ARG 106 Ca 0.13 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3gj4 h ARG 106 Cb 0.28 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3gj4 h ARG 106 CO -0.29 -0.24 0.27 -0.44 -1.51 0.00 0.00 179.97 177.75 3gj4 h ASP 107 N -0.38 0.41 0.29 -3.80 3.32 -1.10 -0.06 116.42 115.11 3gj4 h ASP 107 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gj4 h ASP 107 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3gj4 h ASP 107 CO -0.24 0.29 -0.24 0.25 -1.72 0.00 0.00 179.24 177.58 3gj4 h LEU 108 N 0.53 -0.62 -1.16 1.55 5.85 -0.63 -3.09 115.31 117.75 3gj4 h LEU 108 Ca 0.20 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 3gj4 h LEU 108 Cb 0.07 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3gj4 h LEU 108 CO -0.12 -0.36 -0.34 0.58 -0.34 0.00 0.00 178.44 177.86 3gj4 h VAL 109 N -0.54 1.27 -0.17 1.05 2.07 -0.73 0.18 116.25 119.37 3gj4 h VAL 109 Ca -0.02 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.27 3gj4 h VAL 109 Cb 0.48 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3gj4 h VAL 109 CO -0.02 0.38 0.15 -0.09 0.02 0.00 0.00 177.57 178.00 3gj4 h ARG 110 N 0.13 0.00 0.00 1.57 2.43 -0.92 -0.22 114.38 117.37 3gj4 h ARG 110 Ca 0.02 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.93 3gj4 h ARG 110 Cb 0.67 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3gj4 h ARG 110 CO 0.05 0.00 -1.97 0.28 -1.51 0.00 0.00 179.97 176.82 3gj4 n VAL 111 N -4.20 0.97 -0.02 0.20 0.31 -0.79 -4.78 118.33 110.02 3gj4 n VAL 111 Ca 0.01 -0.54 -0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3gj4 n VAL 111 Cb 0.27 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 3gj4 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gj4 n GLU 113 N -2.06 0.00 -0.89 0.00 1.02 -0.10 -4.21 120.64 114.40 3gj4 n GLU 113 Ca -0.07 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.70 3gj4 n GLU 113 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.87 3gj4 n GLU 113 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3gj4 n ASN 114 N -1.01 2.59 -4.91 1.62 5.15 -1.26 -4.69 115.26 112.75 3gj4 n ASN 114 Ca 0.00 -2.53 -0.29 0.00 -0.60 0.00 0.00 54.58 51.16 3gj4 n ASN 114 Cb 0.00 -0.97 -0.04 0.00 -0.53 0.00 0.00 39.78 38.24 3gj4 n ASN 114 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gj4 s ILE 115 N 4.99 5.15 0.30 -1.44 -4.36 -1.26 -5.07 121.20 119.50 3gj4 s ILE 115 Ca 0.52 -0.15 -0.30 0.00 -0.26 0.00 0.00 60.65 60.45 3gj4 s ILE 115 Cb 0.13 -3.70 -0.11 0.00 1.25 0.00 0.00 42.46 40.02 3gj4 s ILE 115 CO 0.12 -0.14 1.60 -2.84 0.24 0.00 0.00 174.94 173.91 3gj4 s PRO 116 N -3.18 4.11 -0.02 0.37 0.02 -1.26 -4.91 135.00 130.13 3gj4 s PRO 116 Ca 0.40 2.60 0.01 0.00 0.02 0.00 0.00 61.00 64.03 3gj4 s PRO 116 Cb -0.11 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.41 3gj4 s PRO 116 CO 0.28 -0.65 -0.03 0.42 -0.33 0.00 0.00 177.00 176.69 3gj4 s ILE 117 N -0.01 0.35 -0.11 2.83 1.01 -1.26 -2.05 121.20 121.96 3gj4 s ILE 117 Ca 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 3gj4 s ILE 117 Cb -0.48 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3gj4 s ILE 117 CO 0.48 0.15 -0.02 -0.69 0.00 0.00 0.00 174.94 174.87 3gj4 s VAL 118 N 0.57 4.14 -0.21 2.92 1.01 -0.29 -3.46 120.40 125.06 3gj4 s VAL 118 Ca -0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3gj4 s VAL 118 Cb -0.10 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3gj4 s VAL 118 CO -0.01 0.56 0.11 -0.22 0.00 0.00 0.00 175.10 175.55 3gj4 s LEU 119 N -0.45 3.96 -0.11 3.92 2.96 -0.21 -0.46 118.68 128.29 3gj4 s LEU 119 Ca 0.08 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3gj4 s LEU 119 Cb -0.12 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.54 3gj4 s LEU 119 CO 0.02 0.11 -0.20 0.00 -1.32 0.00 0.00 176.35 174.96 3gj4 s GLY 121 N 0.65 1.87 0.49 0.00 0.00 -1.03 -1.53 107.32 107.77 3gj4 s GLY 121 Ca -0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 3gj4 s GLY 121 CO 0.03 1.22 0.74 0.21 0.00 0.00 0.00 173.10 175.30 3gj4 s ASN 122 N 1.84 5.75 -0.32 1.64 2.47 0.14 -1.08 114.94 125.37 3gj4 s ASN 122 Ca 0.14 0.40 0.00 0.00 0.42 0.00 0.00 52.86 53.82 3gj4 s ASN 122 Cb -0.17 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 3gj4 s ASN 122 CO 0.14 -0.82 0.00 0.29 -3.72 0.00 0.00 177.10 173.00 3gj4 n LYS 123 N -2.23 -0.29 0.00 0.43 5.02 -0.85 -2.02 118.16 118.22 3gj4 n LYS 123 Ca 0.02 0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 3gj4 n LYS 123 Cb 0.58 -3.94 0.41 0.00 -0.02 0.00 0.00 35.03 32.06 3gj4 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gj4 n VAL 124 N -3.83 0.53 0.36 -0.18 0.24 -1.12 -2.14 118.33 112.19 3gj4 n VAL 124 Ca -0.04 0.13 0.06 0.00 -2.04 0.00 0.00 64.34 62.45 3gj4 n VAL 124 Cb 0.47 -0.86 0.26 0.00 -1.47 0.00 0.00 33.84 32.24 3gj4 n VAL 124 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3gj4 n ASP 125 N -1.29 0.08 -4.67 -1.34 5.75 -1.26 -4.72 116.55 109.09 3gj4 n ASP 125 Ca 0.08 0.52 -0.39 0.00 -0.01 0.00 0.00 54.79 54.99 3gj4 n ASP 125 Cb 0.13 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.62 3gj4 n ASP 125 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gj4 s ILE 126 N -3.05 5.11 0.15 2.12 1.01 -0.91 -4.89 121.20 120.74 3gj4 s ILE 126 Ca 0.05 0.99 -0.17 0.00 0.00 0.00 0.00 60.65 61.52 3gj4 s ILE 126 Cb 0.07 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3gj4 s ILE 126 CO 0.21 0.19 1.73 0.11 0.00 0.00 0.00 174.94 177.18 3gj4 h LYS 127 N 7.34 0.19 -5.51 2.79 1.57 -1.91 -3.33 116.57 117.73 3gj4 h LYS 127 Ca -0.35 -0.01 -0.69 0.00 -1.87 0.00 0.00 60.65 57.73 3gj4 h LYS 127 Cb 1.16 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.34 3gj4 h LYS 127 CO 0.75 0.13 2.28 -3.47 -0.57 0.00 0.00 179.45 178.56 3gj4 n ASP 128 N -5.08 4.82 -4.72 0.86 2.03 -1.26 -4.96 116.55 108.24 3gj4 n ASP 128 Ca 0.01 -2.92 -0.39 0.00 0.52 0.00 0.00 54.79 52.01 3gj4 n ASP 128 Cb 0.14 -1.72 -0.05 0.00 -0.72 0.00 0.00 41.12 38.77 3gj4 n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3gj4 s ARG 129 N 3.88 4.42 -0.17 -0.67 3.52 -1.25 -4.82 118.95 123.85 3gj4 s ARG 129 Ca 0.52 0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 56.79 3gj4 s ARG 129 Cb 0.05 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.90 3gj4 s ARG 129 CO 0.05 0.07 -0.05 1.63 -0.81 0.00 0.00 175.30 176.19 3gj4 n LYS 130 N 3.78 0.50 -3.01 5.12 4.76 -0.12 -4.79 118.16 124.39 3gj4 n LYS 130 Ca -0.02 0.52 -0.43 0.00 -2.87 0.00 0.00 58.31 55.50 3gj4 n LYS 130 Cb 0.51 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 3gj4 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gj4 s VAL 131 N -2.33 4.65 0.54 -0.18 1.01 0.73 -4.99 120.40 119.82 3gj4 s VAL 131 Ca -0.22 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3gj4 s VAL 131 Cb 0.04 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3gj4 s VAL 131 CO 0.38 -0.99 0.76 -0.54 0.00 0.00 0.00 175.10 174.70 3gj4 s LYS 132 N 3.23 2.55 0.24 2.72 1.02 -1.26 -4.84 119.74 123.39 3gj4 s LYS 132 Ca 0.21 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 3gj4 s LYS 132 Cb -0.17 -2.52 0.40 0.00 -0.52 0.00 0.00 37.83 35.03 3gj4 s LYS 132 CO 0.14 -0.68 1.77 0.00 -0.92 0.00 0.00 175.35 175.66 3gj4 h ALA 133 N 0.12 1.09 0.00 5.17 0.00 -1.94 -0.96 119.26 122.74 3gj4 h ALA 133 Ca -0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gj4 h ALA 133 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gj4 h ALA 133 CO 0.51 -0.05 0.00 0.36 0.00 0.00 0.00 179.25 180.06 3gj4 n LYS 134 N -4.86 0.17 0.00 0.00 2.85 -1.26 -1.61 118.16 113.45 3gj4 n LYS 134 Ca 0.13 0.46 0.10 0.00 -1.05 0.00 0.00 58.31 57.95 3gj4 n LYS 134 Cb 0.33 -1.87 -0.06 0.00 -0.65 0.00 0.00 35.03 32.78 3gj4 n LYS 134 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3gj4 n SER 135 N -2.20 0.88 -4.48 -5.58 7.64 -0.39 -4.85 113.62 104.65 3gj4 n SER 135 Ca 0.01 -0.83 -0.43 0.00 1.01 0.00 0.00 58.87 58.63 3gj4 n SER 135 Cb 0.19 0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 64.26 3gj4 n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gj4 s ILE 136 N -3.02 4.50 0.00 0.44 1.01 -0.63 -4.77 121.20 118.72 3gj4 s ILE 136 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3gj4 s ILE 136 Cb 0.16 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3gj4 s ILE 136 CO 0.84 -1.15 0.00 0.52 0.00 0.00 0.00 174.94 175.16 3gj4 n VAL 137 N 5.95 0.00 -0.30 2.92 0.31 -1.26 -4.84 118.33 121.11 3gj4 n VAL 137 Ca -0.02 -0.12 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 3gj4 n VAL 137 Cb 0.46 0.83 0.09 0.00 -0.91 0.00 0.00 33.84 34.31 3gj4 n VAL 137 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3gj4 h PHE 138 N 0.00 0.99 -0.49 3.52 3.57 -1.99 -2.87 116.94 119.67 3gj4 h PHE 138 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3gj4 h PHE 138 Cb 0.00 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3gj4 h PHE 138 CO 0.00 0.59 0.01 1.12 -2.23 0.00 0.00 178.31 177.80 3gj4 h HIS 139 N 1.05 0.85 0.00 0.41 2.07 -1.88 -2.33 115.15 115.31 3gj4 h HIS 139 Ca 0.32 -0.11 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 3gj4 h HIS 139 Cb -0.03 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 29.71 3gj4 h HIS 139 CO -0.02 0.77 -0.07 0.00 -3.07 0.00 0.00 177.93 175.54 3gj4 h ARG 140 N 0.75 0.00 0.05 5.12 3.08 -1.69 -1.28 114.38 120.41 3gj4 h ARG 140 Ca 0.15 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 3gj4 h ARG 140 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3gj4 h ARG 140 CO 0.02 0.07 -1.04 0.87 -1.07 0.00 0.00 179.97 178.82 3gj4 h LYS 141 N 0.00 0.22 -0.16 0.04 1.57 -1.43 -3.38 116.57 113.43 3gj4 h LYS 141 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3gj4 h LYS 141 Cb 0.14 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gj4 h LYS 141 CO 0.01 1.08 0.00 1.63 -0.57 0.00 0.00 179.45 181.60 3gj4 n LYS 142 N -3.57 1.53 -0.36 3.15 4.76 -1.05 -4.96 118.16 117.66 3gj4 n LYS 142 Ca -0.05 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 3gj4 n LYS 142 Cb 0.91 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 3gj4 n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gj4 n ASN 143 N 0.62 -0.24 -4.82 4.39 5.03 -1.08 -5.07 115.26 114.08 3gj4 n ASN 143 Ca 0.09 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.20 3gj4 n ASN 143 Cb 0.35 -0.04 -0.06 0.00 -1.02 0.00 0.00 39.78 39.01 3gj4 n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gj4 s LEU 144 N 0.00 4.17 0.22 3.41 1.43 -0.51 -4.96 118.68 122.44 3gj4 s LEU 144 Ca 0.00 1.46 -0.18 0.00 -1.03 0.00 0.00 54.13 54.39 3gj4 s LEU 144 Cb 0.00 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 3gj4 s LEU 144 CO 0.00 -0.14 0.68 -1.58 0.23 0.00 0.00 176.35 175.55 3gj4 s GLN 145 N -2.57 4.14 0.00 1.70 2.00 -1.22 -4.28 119.66 119.43 3gj4 s GLN 145 Ca 0.51 0.74 0.07 0.00 -2.00 0.00 0.00 55.36 54.68 3gj4 s GLN 145 Cb -0.13 -2.82 -0.03 0.00 0.80 0.00 0.00 33.01 30.83 3gj4 s GLN 145 CO 0.19 0.38 -0.20 -0.47 -0.50 0.00 0.00 175.29 174.68 3gj4 s TYR 146 N -1.58 2.51 -0.02 1.67 5.04 -1.26 -1.04 117.35 122.66 3gj4 s TYR 146 Ca 0.43 -0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.77 3gj4 s TYR 146 Cb -0.15 -1.51 0.03 0.00 0.35 0.00 0.00 41.96 40.68 3gj4 s TYR 146 CO 0.20 0.14 0.02 0.71 -1.34 0.00 0.00 175.55 175.29 3gj4 s TYR 147 N -0.77 0.11 0.34 4.97 2.02 -0.80 -4.99 117.35 118.22 3gj4 s TYR 147 Ca 0.12 0.10 -0.29 0.00 -0.37 0.00 0.00 57.07 56.64 3gj4 s TYR 147 Cb -0.10 -0.30 -0.11 0.00 -0.40 0.00 0.00 41.96 41.05 3gj4 s TYR 147 CO 0.02 -0.11 1.47 -0.51 -1.57 0.00 0.00 175.55 174.85 3gj4 s ASP 148 N 1.14 6.46 0.09 2.29 1.01 -1.26 -2.45 116.67 123.94 3gj4 s ASP 148 Ca -0.08 2.92 -0.01 0.00 0.71 0.00 0.00 52.55 56.09 3gj4 s ASP 148 Cb -0.13 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 3gj4 s ASP 148 CO -0.03 -0.80 0.02 0.27 0.21 0.00 0.00 175.17 174.84 3gj4 s ILE 149 N -0.79 0.17 -0.24 0.77 -4.36 -0.25 -4.72 121.20 111.78 3gj4 s ILE 149 Ca 0.55 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.07 3gj4 s ILE 149 Cb -0.45 -1.75 0.08 0.00 1.25 0.00 0.00 42.46 41.59 3gj4 s ILE 149 CO 0.56 -0.75 0.09 -0.55 0.24 0.00 0.00 174.94 174.53 3gj4 s SER 150 N -2.98 3.17 0.21 4.36 0.15 -0.91 -2.01 113.70 115.69 3gj4 s SER 150 Ca 0.15 -1.06 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 3gj4 s SER 150 Cb 0.08 -0.47 0.15 0.00 -1.71 0.00 0.00 66.02 64.06 3gj4 s SER 150 CO -0.05 -0.38 1.88 0.00 1.20 0.00 0.00 173.24 175.89 3gj4 h ALA 151 N 8.31 0.93 0.00 5.45 0.00 -1.93 -1.25 119.26 130.78 3gj4 h ALA 151 Ca -0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3gj4 h ALA 151 Cb 1.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3gj4 h ALA 151 CO 0.38 0.34 -0.19 0.87 0.00 0.00 0.00 179.25 180.66 3gj4 h LYS 152 N 0.99 0.00 -0.10 0.00 1.79 -1.95 -2.67 116.57 114.62 3gj4 h LYS 152 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3gj4 h LYS 152 Cb -0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3gj4 h LYS 152 CO -0.06 0.19 0.00 -1.13 -1.08 0.00 0.00 179.45 177.36 3gj4 n SER 153 N -3.71 2.50 0.00 0.86 3.41 -1.10 -0.39 113.62 115.19 3gj4 n SER 153 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3gj4 n SER 153 Cb 0.30 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3gj4 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gj4 n ASN 154 N 0.92 -4.69 -4.69 4.04 3.02 -0.73 -4.69 115.26 108.44 3gj4 n ASN 154 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 3gj4 n ASN 154 Cb 0.42 -2.34 -0.03 0.00 -0.61 0.00 0.00 39.78 37.22 3gj4 n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gj4 s TYR 155 N -1.40 2.45 -1.97 3.10 5.04 -0.55 -1.95 117.35 122.06 3gj4 s TYR 155 Ca 0.00 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 3gj4 s TYR 155 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3gj4 s TYR 155 CO 0.00 -3.85 0.00 0.09 -1.34 0.00 0.00 175.55 170.45 3gj4 n ASN 156 N 5.52 -5.03 -0.29 4.32 3.02 -1.26 -2.14 115.26 119.39 3gj4 n ASN 156 Ca 0.16 0.43 0.10 0.00 -0.03 0.00 0.00 54.58 55.23 3gj4 n ASN 156 Cb 0.40 -4.46 0.26 0.00 -0.61 0.00 0.00 39.78 35.37 3gj4 n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gj4 h PHE 157 N 0.00 0.68 0.00 3.10 3.57 -1.72 -2.00 116.94 120.56 3gj4 h PHE 157 Ca -0.39 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3gj4 h PHE 157 Cb 1.25 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3gj4 h PHE 157 CO 0.54 0.06 -0.21 1.05 -2.23 0.00 0.00 178.31 177.52 3gj4 h GLU 158 N 0.50 0.00 -0.09 1.11 9.09 -1.89 -3.38 114.58 119.91 3gj4 h GLU 158 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3gj4 h GLU 158 Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3gj4 h GLU 158 CO -0.44 0.00 0.06 0.87 0.05 0.00 0.00 179.01 179.55 3gj4 h LYS 159 N 0.00 0.12 -0.93 1.06 1.57 -1.76 -0.96 116.57 115.67 3gj4 h LYS 159 Ca 0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3gj4 h LYS 159 Cb 0.89 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.09 3gj4 h LYS 159 CO 0.00 0.09 0.56 -1.35 -0.57 0.00 0.00 179.45 178.18 3gj4 h PRO 160 N 0.12 0.87 -0.13 3.15 0.11 -1.74 -1.67 132.00 132.70 3gj4 h PRO 160 Ca 0.03 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 3gj4 h PRO 160 Cb -0.00 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 3gj4 h PRO 160 CO -0.01 0.58 -0.64 0.74 -0.21 0.00 0.00 178.00 178.46 3gj4 h PHE 161 N 0.90 0.63 -0.27 0.65 0.04 -1.64 -2.43 116.94 114.82 3gj4 h PHE 161 Ca 0.46 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 3gj4 h PHE 161 Cb 0.47 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3gj4 h PHE 161 CO -0.03 0.99 0.02 1.25 -0.60 0.00 0.00 178.31 179.94 3gj4 h LEU 162 N 0.35 0.44 -0.51 1.54 5.85 -0.78 -0.98 115.31 121.21 3gj4 h LEU 162 Ca -0.01 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3gj4 h LEU 162 Cb 1.20 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3gj4 h LEU 162 CO 0.12 0.62 0.31 -0.25 -0.34 0.00 0.00 178.44 178.89 3gj4 h TRP 163 N 0.25 0.58 -0.59 1.25 7.01 -1.27 -1.52 115.95 121.66 3gj4 h TRP 163 Ca 0.08 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.04 3gj4 h TRP 163 Cb 0.38 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3gj4 h TRP 163 CO 0.03 0.34 0.15 -0.07 -2.79 0.00 0.00 178.44 176.10 3gj4 h LEU 164 N 0.62 0.89 -0.14 0.65 3.38 -1.30 -1.56 115.31 117.85 3gj4 h LEU 164 Ca 0.20 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3gj4 h LEU 164 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3gj4 h LEU 164 CO -0.09 0.89 0.03 0.00 0.09 0.00 0.00 178.44 179.36 3gj4 h ALA 165 N 1.04 0.14 -0.45 1.53 0.00 -0.92 0.02 119.26 120.61 3gj4 h ALA 165 Ca 0.19 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3gj4 h ALA 165 Cb 0.34 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3gj4 h ALA 165 CO 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.91 3gj4 h ARG 166 N 0.08 0.21 -0.69 0.00 3.08 -1.11 -1.43 114.38 114.53 3gj4 h ARG 166 Ca 0.06 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3gj4 h ARG 166 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3gj4 h ARG 166 CO -0.08 0.14 0.15 0.87 -1.07 0.00 0.00 179.97 179.98 3gj4 h LYS 167 N 0.21 1.12 0.09 0.04 1.79 -0.78 -0.02 116.57 119.03 3gj4 h LYS 167 Ca 0.22 -0.28 -0.26 0.00 -2.18 0.00 0.00 60.65 58.16 3gj4 h LYS 167 Cb 0.28 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3gj4 h LYS 167 CO -0.29 1.00 -1.16 -0.07 -1.08 0.00 0.00 179.45 177.84 3gj4 h LEU 168 N 1.05 0.38 0.00 2.94 3.38 -0.78 -3.19 115.31 119.08 3gj4 h LEU 168 Ca 0.22 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3gj4 h LEU 168 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3gj4 h LEU 168 CO 0.01 1.28 -1.05 0.40 0.09 0.00 0.00 178.44 179.17 3gj4 h ILE 169 N 0.08 0.64 -2.39 1.22 1.08 -1.29 -3.49 117.51 113.36 3gj4 h ILE 169 Ca -0.11 -2.07 -0.06 0.00 -0.39 0.00 0.00 64.86 62.24 3gj4 h ILE 169 Cb 1.88 2.17 0.03 0.00 -3.07 0.00 0.00 36.82 37.83 3gj4 h ILE 169 CO 0.19 0.36 -0.12 0.61 -0.69 0.00 0.00 178.15 178.50 3gj4 n GLY 170 N 1.32 0.41 2.61 5.37 0.00 -0.06 -5.05 105.19 109.79 3gj4 n GLY 170 Ca -0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3gj4 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gj4 s ASP 171 N -3.18 2.87 0.41 1.61 -1.08 -0.98 -5.00 116.67 111.32 3gj4 s ASP 171 Ca 0.02 -1.21 0.29 0.00 -0.52 0.00 0.00 52.55 51.13 3gj4 s ASP 171 Cb -0.01 -0.07 1.39 0.00 -1.46 0.00 0.00 42.92 42.77 3gj4 s ASP 171 CO 0.12 -0.41 1.86 1.55 0.52 0.00 0.00 175.17 178.81 3gj4 h PRO 172 N 8.22 0.00 -0.68 4.34 0.13 -1.97 -2.49 132.00 139.55 3gj4 h PRO 172 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3gj4 h PRO 172 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gj4 h PRO 172 CO 0.39 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.25 3gj4 n ASN 173 N -2.54 3.89 -4.75 1.44 3.02 -1.26 -4.97 115.26 110.09 3gj4 n ASN 173 Ca -0.00 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 3gj4 n ASN 173 Cb 0.14 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 3gj4 n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gj4 s LEU 174 N -1.08 4.37 0.08 3.41 2.96 -0.94 -5.02 118.68 122.47 3gj4 s LEU 174 Ca 0.48 2.77 0.05 0.00 -0.22 0.00 0.00 54.13 57.20 3gj4 s LEU 174 Cb 0.25 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 3gj4 s LEU 174 CO 0.33 -0.78 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.84 3gj4 s GLU 175 N -0.36 0.82 -0.16 1.98 0.41 -1.26 -4.95 118.70 115.19 3gj4 s GLU 175 Ca 0.61 -1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 53.91 3gj4 s GLU 175 Cb -0.44 -0.71 -0.02 0.00 -1.78 0.00 0.00 34.13 31.18 3gj4 s GLU 175 CO 0.44 0.14 0.79 -0.06 -0.49 0.00 0.00 175.26 176.09 3gj4 s PHE 176 N -1.67 3.44 0.16 1.61 0.08 -1.26 -1.59 117.98 118.74 3gj4 s PHE 176 Ca 0.00 1.22 -0.13 0.00 0.12 0.00 0.00 56.93 58.15 3gj4 s PHE 176 Cb -0.08 -2.96 0.04 0.00 -0.57 0.00 0.00 43.02 39.45 3gj4 s PHE 176 CO 0.02 -0.18 1.67 -0.39 -0.10 0.00 0.00 175.22 176.24 3gj4 h VAL 177 N 5.13 1.24 -3.45 -0.44 -1.51 -0.58 -3.46 116.25 113.17 3gj4 h VAL 177 Ca -0.31 -0.82 -0.10 0.00 -1.23 0.00 0.00 66.70 64.24 3gj4 h VAL 177 Cb 1.14 0.78 -0.17 0.00 -2.13 0.00 0.00 31.29 30.91 3gj4 h VAL 177 CO 0.82 0.30 -0.33 0.00 -1.23 0.00 0.00 177.57 177.12 3gj4 s ALA 178 N -5.36 -0.49 0.28 5.19 0.00 -1.25 -5.10 121.76 115.02 3gj4 s ALA 178 Ca -0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 3gj4 s ALA 178 Cb 0.12 0.30 -0.10 0.00 0.00 0.00 0.00 23.12 23.44 3gj4 s ALA 178 CO 0.79 -0.38 1.34 1.41 0.00 0.00 0.00 175.76 178.92 3gj4 s MET 179 N -2.56 4.35 0.93 0.00 1.75 -1.26 -4.51 119.30 117.99 3gj4 s MET 179 Ca -0.05 2.19 -0.11 0.00 -1.25 0.00 0.00 55.69 56.48 3gj4 s MET 179 Cb -0.01 -3.11 0.15 0.00 2.84 0.00 0.00 34.83 34.70 3gj4 s MET 179 CO -0.04 -0.26 1.11 -2.14 -0.65 0.00 0.00 175.02 173.04 3gj4 s PRO 180 N -1.00 0.94 -0.10 4.11 0.02 -1.26 -4.91 135.00 132.80 3gj4 s PRO 180 Ca 0.53 1.25 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 3gj4 s PRO 180 Cb -0.39 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3gj4 s PRO 180 CO 0.47 -2.59 1.51 0.00 -0.33 0.00 0.00 177.00 176.06 3gj4 s ALA 181 N -2.71 3.63 0.14 -1.55 0.00 -1.26 -5.01 121.76 115.01 3gj4 s ALA 181 Ca 0.65 0.76 0.10 0.00 0.00 0.00 0.00 51.96 53.47 3gj4 s ALA 181 Cb -0.21 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3gj4 s ALA 181 CO 0.59 -1.32 -0.19 -0.51 0.00 0.00 0.00 175.76 174.33 3gj4 s LEU 182 N 3.85 2.65 0.18 0.00 1.43 -1.26 -2.38 118.68 123.15 3gj4 s LEU 182 Ca 0.67 -0.63 -0.33 0.00 -1.03 0.00 0.00 54.13 52.81 3gj4 s LEU 182 Cb -0.29 -1.47 -0.14 0.00 0.03 0.00 0.00 46.19 44.33 3gj4 s LEU 182 CO 0.24 0.16 1.55 0.00 0.23 0.00 0.00 176.35 178.53 3gj4 n ALA 183 N 0.64 1.40 -1.67 4.21 0.00 -0.49 -4.92 120.51 119.69 3gj4 n ALA 183 Ca -0.15 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.33 3gj4 n ALA 183 Cb 0.53 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.67 3gj4 n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gj4 n PRO 184 N 3.11 1.50 -1.67 0.00 -0.02 -1.26 -4.84 135.00 131.83 3gj4 n PRO 184 Ca 0.16 0.55 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 3gj4 n PRO 184 Cb 0.30 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 3gj4 n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gj4 n PRO 185 N -0.49 2.10 0.04 0.52 -0.02 -1.26 -4.89 135.00 130.99 3gj4 n PRO 185 Ca 0.10 0.76 -0.04 0.00 -2.02 0.00 0.00 63.50 62.30 3gj4 n PRO 185 Cb 0.43 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3gj4 n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gj4 h GLU 186 N 5.78 0.00 -5.43 -0.52 5.08 -1.05 -3.47 114.58 114.98 3gj4 h GLU 186 Ca -0.45 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.49 3gj4 h GLU 186 Cb 1.26 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 3gj4 h GLU 186 CO 0.88 0.54 -0.75 0.14 -1.00 0.00 0.00 179.01 178.82 3gj4 s VAL 187 N -2.79 1.40 0.04 3.13 -7.23 -1.21 -5.04 120.40 108.70 3gj4 s VAL 187 Ca -0.01 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 3gj4 s VAL 187 Cb 0.09 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3gj4 s VAL 187 CO 0.81 -0.48 0.90 -0.69 -0.31 0.00 0.00 175.10 175.33 3gj4 s VAL 188 N -2.42 4.73 -0.50 1.32 1.01 -1.26 -4.33 120.40 118.96 3gj4 s VAL 188 Ca 0.12 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 63.85 3gj4 s VAL 188 Cb -0.03 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.18 3gj4 s VAL 188 CO 0.03 0.26 0.50 -0.32 0.00 0.00 0.00 175.10 175.58 3gj4 s MET 189 N 0.43 3.02 -0.22 2.72 1.75 -1.26 -4.94 119.30 120.81 3gj4 s MET 189 Ca 0.46 -1.28 -0.36 0.00 -1.25 0.00 0.00 55.69 53.26 3gj4 s MET 189 Cb -0.21 -4.16 -0.13 0.00 2.84 0.00 0.00 34.83 33.17 3gj4 s MET 189 CO 0.27 -1.17 1.91 -3.47 -0.65 0.00 0.00 175.02 171.91 3gj4 n ASP 190 N 5.57 2.80 -0.20 1.11 2.03 -1.26 -4.85 116.55 121.75 3gj4 n ASP 190 Ca -0.11 0.87 0.05 0.00 0.52 0.00 0.00 54.79 56.12 3gj4 n ASP 190 Cb 0.43 -1.27 0.32 0.00 -0.72 0.00 0.00 41.12 39.88 3gj4 n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gj4 h PRO 191 N 9.36 0.82 -0.73 -0.67 0.11 -1.98 0.21 132.00 139.12 3gj4 h PRO 191 Ca -0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3gj4 h PRO 191 Cb 1.30 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3gj4 h PRO 191 CO 0.97 0.54 0.34 0.00 -0.21 0.00 0.00 178.00 179.64 3gj4 h ALA 192 N 1.58 0.94 0.55 -0.75 0.00 -2.00 -1.72 119.26 117.86 3gj4 h ALA 192 Ca 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gj4 h ALA 192 Cb 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gj4 h ALA 192 CO -0.10 0.51 -0.26 1.25 0.00 0.00 0.00 179.25 180.64 3gj4 h LEU 193 N 1.02 -0.63 -1.40 0.00 5.85 -1.59 -2.49 115.31 116.08 3gj4 h LEU 193 Ca 0.25 -0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.16 3gj4 h LEU 193 Cb 0.13 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 3gj4 h LEU 193 CO -0.03 -0.34 0.63 0.00 -0.34 0.00 0.00 178.44 178.37 3gj4 h ALA 194 N -0.55 2.17 0.05 1.25 0.00 -0.95 0.16 119.26 121.39 3gj4 h ALA 194 Ca -0.08 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gj4 h ALA 194 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gj4 h ALA 194 CO 0.12 -0.51 -0.02 0.00 0.00 0.00 0.00 179.25 178.84 3gj4 h ALA 195 N 1.61 -0.07 0.21 0.00 0.00 -1.21 -2.61 119.26 117.20 3gj4 h ALA 195 Ca 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3gj4 h ALA 195 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gj4 h ALA 195 CO -0.24 -0.44 -0.10 0.37 0.00 0.00 0.00 179.25 178.84 3gj4 h GLN 196 N -0.27 -0.28 -0.35 0.00 5.75 -0.47 -2.43 115.11 117.06 3gj4 h GLN 196 Ca -0.01 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.60 3gj4 h GLN 196 Cb 0.24 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3gj4 h GLN 196 CO 0.01 -0.12 0.25 1.88 -2.65 0.00 0.00 178.83 178.20 3gj4 h TYR 197 N -0.37 0.08 -0.10 3.99 0.05 -0.86 -0.18 116.97 119.58 3gj4 h TYR 197 Ca -0.03 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.55 3gj4 h TYR 197 Cb 0.29 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3gj4 h TYR 197 CO -0.04 0.04 -0.76 0.93 -1.05 0.00 0.00 178.16 177.28 3gj4 h GLU 198 N 0.07 0.55 0.03 4.88 5.08 -1.28 -2.65 114.58 121.26 3gj4 h GLU 198 Ca 0.16 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3gj4 h GLU 198 Cb 0.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3gj4 h GLU 198 CO -0.01 1.08 -0.01 1.25 -1.00 0.00 0.00 179.01 180.32 3gj4 h HIS 199 N 0.37 -0.03 -0.64 4.33 2.76 -0.60 -2.29 115.15 119.06 3gj4 h HIS 199 Ca -0.04 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3gj4 h HIS 199 Cb 1.36 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.26 3gj4 h HIS 199 CO 0.06 0.23 0.28 -0.44 -1.30 0.00 0.00 177.93 176.77 3gj4 h ASP 200 N -0.30 0.35 0.31 3.26 3.32 -1.24 -1.63 116.42 120.49 3gj4 h ASP 200 Ca -0.00 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3gj4 h ASP 200 Cb 0.28 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3gj4 h ASP 200 CO 0.01 0.21 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.51 3gj4 h LEU 201 N 0.50 -0.36 -0.26 1.55 3.38 -1.41 -0.46 115.31 118.25 3gj4 h LEU 201 Ca 0.31 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.33 3gj4 h LEU 201 Cb 0.34 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3gj4 h LEU 201 CO -0.27 -0.23 -0.41 -0.33 0.09 0.00 0.00 178.44 177.30 3gj4 h GLU 202 N -0.46 -0.38 -0.37 1.13 5.08 -1.08 0.19 114.58 118.68 3gj4 h GLU 202 Ca -0.04 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3gj4 h GLU 202 Cb 0.35 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3gj4 h GLU 202 CO 0.07 -0.26 0.03 0.28 -1.00 0.00 0.00 179.01 178.14 3gj4 h VAL 203 N -0.40 0.76 -0.53 3.13 2.07 -1.23 -1.89 116.25 118.17 3gj4 h VAL 203 Ca 0.11 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3gj4 h VAL 203 Cb 0.60 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3gj4 h VAL 203 CO -0.48 0.03 0.34 0.00 0.02 0.00 0.00 177.57 177.48 3gj4 h ALA 204 N 1.30 1.61 0.00 1.67 0.00 -0.35 -1.00 119.26 122.49 3gj4 h ALA 204 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gj4 h ALA 204 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gj4 h ALA 204 CO -0.27 0.36 -0.19 1.96 0.00 0.00 0.00 179.25 181.11 3gj4 h GLN 205 N 0.72 0.00 -0.64 0.00 1.08 -0.17 -1.71 115.11 114.39 3gj4 h GLN 205 Ca 0.19 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3gj4 h GLN 205 Cb -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3gj4 h GLN 205 CO -0.04 0.19 0.03 0.25 -0.95 0.00 0.00 178.83 178.30 3gj4 n THR 206 N -3.84 2.55 -0.11 -0.54 -2.24 -0.40 -4.49 114.28 105.21 3gj4 n THR 206 Ca -0.02 -1.30 -0.24 0.00 -2.27 0.00 0.00 64.05 60.22 3gj4 n THR 206 Cb 0.28 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 3gj4 n THR 206 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3gj4 n THR 207 N 0.50 1.55 -0.56 4.28 -1.04 -0.64 -5.06 114.28 113.31 3gj4 n THR 207 Ca 0.27 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3gj4 n THR 207 Cb 1.14 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 3gj4 n THR 207 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43