#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgt s ALA 3 N 0.00 3.24 0.10 4.61 0.00 -1.26 -5.07 121.76 123.38 1jgt s ALA 3 Ca 0.00 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.60 1jgt s ALA 3 Cb 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 23.12 21.76 1jgt s ALA 3 CO 0.00 0.66 1.79 -2.30 0.00 0.00 0.00 175.76 175.91 1jgt n PRO 4 N 1.08 2.56 0.08 0.00 -0.02 -1.26 -4.89 135.00 132.55 1jgt n PRO 4 Ca -0.13 0.93 -0.06 0.00 -2.02 0.00 0.00 63.50 62.22 1jgt n PRO 4 Cb 0.52 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 1jgt n PRO 4 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1jgt h VAL 5 N 4.53 1.64 -2.77 -1.45 3.04 -1.98 -3.46 116.25 115.80 1jgt h VAL 5 Ca -0.46 -3.10 -0.59 0.00 -1.01 0.00 0.00 66.70 61.54 1jgt h VAL 5 Cb 1.24 2.68 -0.10 0.00 -2.01 0.00 0.00 31.29 33.09 1jgt h VAL 5 CO 0.94 0.89 -0.64 -0.76 -1.01 0.00 0.00 177.57 176.98 1jgt s LEU 6 N -6.95 3.36 0.80 3.16 1.43 -1.26 -4.83 118.68 114.39 1jgt s LEU 6 Ca 0.00 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1jgt s LEU 6 Cb 0.10 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1jgt s LEU 6 CO 0.81 0.07 0.70 -0.81 0.23 0.00 0.00 176.35 177.36 1jgt n PRO 7 N -0.25 0.15 0.10 1.29 -0.04 -1.26 -4.84 135.00 130.16 1jgt n PRO 7 Ca -0.09 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1jgt n PRO 7 Cb 0.56 -2.02 0.57 0.00 -0.04 0.00 0.00 33.50 32.56 1jgt n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgt h ALA 8 N -0.77 1.99 -2.42 0.55 0.00 -1.91 -3.43 119.26 113.27 1jgt h ALA 8 Ca -0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1jgt h ALA 8 Cb 1.32 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.83 1jgt h ALA 8 CO 0.42 -0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.55 1jgt s ALA 9 N -5.23 -1.34 -0.01 0.00 0.00 -1.26 -4.41 121.76 109.52 1jgt s ALA 9 Ca -0.06 1.51 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 1jgt s ALA 9 Cb 0.18 -0.86 -0.30 0.00 0.00 0.00 0.00 23.12 22.13 1jgt s ALA 9 CO 0.71 -0.26 0.82 0.74 0.00 0.00 0.00 175.76 177.77 1jgt h PHE 10 N 5.24 0.66 -2.58 0.00 0.04 -1.43 0.64 116.94 119.51 1jgt h PHE 10 Ca -0.28 -0.48 -0.01 0.00 2.80 0.00 0.00 57.97 60.01 1jgt h PHE 10 Cb 1.17 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1jgt h PHE 10 CO 0.40 1.53 0.19 0.41 -0.60 0.00 0.00 178.31 180.24 1jgt n GLY 11 N 1.75 1.31 3.75 -1.45 0.00 -1.10 -4.50 105.19 104.95 1jgt n GLY 11 Ca -0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1jgt n GLY 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jgt s PHE 12 N -4.58 -0.14 -0.15 1.61 -0.12 -1.26 -1.68 117.98 111.66 1jgt s PHE 12 Ca 0.10 -0.17 -0.03 0.00 -0.05 0.00 0.00 56.93 56.79 1jgt s PHE 12 Cb -0.03 0.64 0.05 0.00 -0.63 0.00 0.00 43.02 43.05 1jgt s PHE 12 CO 0.07 -0.84 0.05 -1.17 -0.05 0.00 0.00 175.22 173.29 1jgt s LEU 13 N -2.92 0.65 0.20 -1.99 2.96 -0.73 -2.09 118.68 114.76 1jgt s LEU 13 Ca 0.12 -0.52 0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1jgt s LEU 13 Cb -0.02 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1jgt s LEU 13 CO 0.02 -0.30 -0.15 0.00 -1.32 0.00 0.00 176.35 174.60 1jgt s ALA 14 N 2.02 2.79 -0.06 5.97 0.00 0.64 -0.70 121.76 132.42 1jgt s ALA 14 Ca 0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 1jgt s ALA 14 Cb -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1jgt s ALA 14 CO -0.07 0.42 0.15 0.45 0.00 0.00 0.00 175.76 176.71 1jgt s SER 15 N -2.88 -0.15 -0.21 0.00 0.15 0.19 -1.52 113.70 109.29 1jgt s SER 15 Ca 0.24 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 1jgt s SER 15 Cb -0.08 0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1jgt s SER 15 CO 0.13 -0.07 -0.00 0.00 1.20 0.00 0.00 173.24 174.50 1jgt s ALA 16 N 0.35 1.41 0.12 5.45 0.00 -0.29 -0.87 121.76 127.93 1jgt s ALA 16 Ca -0.02 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1jgt s ALA 16 Cb -0.04 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1jgt s ALA 16 CO -0.01 -1.18 -0.10 -0.98 0.00 0.00 0.00 175.76 173.49 1jgt s ARG 17 N 1.66 0.95 0.15 0.00 1.70 -1.26 -0.90 118.95 121.25 1jgt s ARG 17 Ca -0.03 -1.32 -0.09 0.00 -0.47 0.00 0.00 55.73 53.82 1jgt s ARG 17 Cb -0.18 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.62 1jgt s ARG 17 CO -0.07 0.07 1.43 0.00 -1.08 0.00 0.00 175.30 175.65 1jgt h THR 18 N 3.12 1.29 -1.65 4.99 1.03 -1.44 -3.43 112.91 116.82 1jgt h THR 18 Ca -0.37 -1.79 0.06 0.00 -0.01 0.00 0.00 66.41 64.30 1jgt h THR 18 Cb 1.19 1.72 -0.22 0.00 -1.07 0.00 0.00 68.15 69.77 1jgt h THR 18 CO 0.59 0.57 0.49 -0.83 -0.01 0.00 0.00 175.52 176.34 1jgt s GLY 19 N -4.04 -0.32 0.00 2.99 0.00 -1.26 -4.90 107.32 99.79 1jgt s GLY 19 Ca -0.09 1.89 0.00 0.00 0.00 0.00 0.00 44.72 46.52 1jgt s GLY 19 CO 0.88 1.00 0.00 0.61 0.00 0.00 0.00 173.10 175.59 1jgt n GLY 20 N 0.73 0.36 0.00 0.20 0.00 -1.26 -5.11 105.19 100.11 1jgt n GLY 20 Ca -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1jgt n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 21 N 0.00 4.75 0.00 -0.02 0.00 -1.26 -5.14 105.19 103.52 1jgt n GLY 21 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1jgt n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgt n PRO 24 N -1.93 0.00 -2.45 1.61 -0.04 -1.26 -5.22 135.00 125.71 1jgt n PRO 24 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1jgt n PRO 24 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1jgt n PRO 24 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jgt s GLY 25 N -0.11 1.39 0.24 0.55 0.00 -1.26 -4.98 107.32 103.15 1jgt s GLY 25 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 44.45 1jgt s GLY 25 CO 0.00 2.55 1.48 -1.55 0.00 0.00 0.00 173.10 175.58 1jgt n PRO 26 N 7.32 2.21 -3.86 2.90 -0.04 -1.26 -5.00 135.00 137.27 1jgt n PRO 26 Ca 0.14 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 64.04 1jgt n PRO 26 Cb 0.47 -2.49 -0.13 0.00 -0.04 0.00 0.00 33.50 31.30 1jgt n PRO 26 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jgt s VAL 27 N 0.12 3.20 0.19 0.52 1.01 -1.26 -5.10 120.40 119.08 1jgt s VAL 27 Ca 0.69 -1.38 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1jgt s VAL 27 Cb -0.62 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1jgt s VAL 27 CO 0.47 -0.17 -0.15 -0.36 0.00 0.00 0.00 175.10 174.89 1jgt s PHE 28 N 1.28 2.51 -0.00 5.22 2.99 -1.26 -3.78 117.98 124.94 1jgt s PHE 28 Ca -0.03 -0.27 0.11 0.00 0.00 0.00 0.00 56.93 56.74 1jgt s PHE 28 Cb -0.20 -1.23 -0.20 0.00 0.00 0.00 0.00 43.02 41.40 1jgt s PHE 28 CO -0.00 0.51 0.94 0.00 -0.00 0.00 0.00 175.22 176.67 1jgt h ALA 29 N 3.00 0.61 -2.68 5.36 0.00 -1.97 -3.45 119.26 120.13 1jgt h ALA 29 Ca -0.46 -1.15 -0.53 0.00 0.00 0.00 0.00 54.91 52.77 1jgt h ALA 29 Cb 1.21 0.21 0.05 0.00 0.00 0.00 0.00 17.79 19.26 1jgt h ALA 29 CO 0.52 1.35 0.86 0.99 0.00 0.00 0.00 179.25 182.97 1jgt s THR 30 N -2.69 2.50 0.01 0.00 2.01 -1.26 -4.30 115.64 111.91 1jgt s THR 30 Ca -0.02 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 1jgt s THR 30 Cb 0.09 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1jgt s THR 30 CO 0.82 0.04 0.48 -0.60 -0.69 0.00 0.00 174.62 174.67 1jgt s ARG 31 N 0.47 4.09 0.00 4.92 3.52 -0.23 -4.92 118.95 126.80 1jgt s ARG 31 Ca 0.66 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1jgt s ARG 31 Cb -0.44 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1jgt s ARG 31 CO 0.37 0.59 0.00 0.41 -0.81 0.00 0.00 175.30 175.86 1jgt n GLY 32 N 1.99 0.35 3.80 8.12 0.00 -1.26 -4.64 105.19 113.55 1jgt n GLY 32 Ca -0.11 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1jgt n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgt s SER 33 N 0.00 6.17 -0.28 1.61 0.01 -0.28 -4.71 113.70 116.22 1jgt s SER 33 Ca 0.00 1.93 -0.05 0.00 1.31 0.00 0.00 55.95 59.14 1jgt s SER 33 Cb 0.00 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1jgt s SER 33 CO 0.00 -0.90 0.02 -1.00 0.41 0.00 0.00 173.24 171.77 1jgt s HIS 34 N -2.06 3.12 -0.12 2.43 3.76 -1.26 -1.57 115.29 119.59 1jgt s HIS 34 Ca 0.67 -1.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 1jgt s HIS 34 Cb -0.17 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1jgt s HIS 34 CO 0.24 -0.64 -0.15 0.99 -0.85 0.00 0.00 174.74 174.32 1jgt s THR 35 N 1.42 1.58 0.22 1.30 2.01 0.38 -4.92 115.64 117.62 1jgt s THR 35 Ca 0.01 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1jgt s THR 35 Cb -0.17 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 1jgt s THR 35 CO -0.00 0.46 0.80 -1.81 -0.69 0.00 0.00 174.62 173.37 1jgt s ASP 36 N 1.14 7.30 0.52 3.53 -0.00 -1.26 -0.09 116.67 127.81 1jgt s ASP 36 Ca -0.03 1.63 -0.06 0.00 -0.00 0.00 0.00 52.55 54.09 1jgt s ASP 36 Cb -0.14 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1jgt s ASP 36 CO -0.05 0.10 0.84 0.27 -0.00 0.00 0.00 175.17 176.33 1jgt s ILE 37 N -1.35 4.53 0.64 0.77 -4.36 -0.01 -4.96 121.20 116.46 1jgt s ILE 37 Ca 0.41 0.19 -0.16 0.00 -0.26 0.00 0.00 60.65 60.82 1jgt s ILE 37 Cb -0.20 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 39.75 1jgt s ILE 37 CO 0.25 -0.76 1.14 -1.81 0.24 0.00 0.00 174.94 173.99 1jgt s ASP 38 N -4.17 5.09 -0.57 4.36 -0.00 -1.26 -4.69 116.67 115.43 1jgt s ASP 38 Ca 0.50 2.13 0.06 0.00 -0.00 0.00 0.00 52.55 55.24 1jgt s ASP 38 Cb -0.10 -2.57 0.23 0.00 -0.00 0.00 0.00 42.92 40.48 1jgt s ASP 38 CO 0.46 -1.65 0.62 0.35 -0.00 0.00 0.00 175.17 174.95 1jgt n THR 39 N -2.16 1.19 0.04 -1.27 -2.24 -1.26 -4.89 114.28 103.69 1jgt n THR 39 Ca 0.11 -4.72 0.04 0.00 -2.27 0.00 0.00 64.05 57.22 1jgt n THR 39 Cb 0.51 -2.04 0.45 0.00 -2.10 0.00 0.00 70.33 67.15 1jgt n THR 39 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1jgt h PRO 40 N 4.44 0.46 -0.59 -0.78 0.13 -1.95 -1.66 132.00 132.05 1jgt h PRO 40 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1jgt h PRO 40 Cb 0.75 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1jgt h PRO 40 CO 0.69 0.31 0.00 1.04 -0.23 0.00 0.00 178.00 179.81 1jgt n GLN 41 N -4.48 2.61 0.00 0.86 3.00 -1.26 -5.01 117.38 113.11 1jgt n GLN 41 Ca 0.02 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1jgt n GLN 41 Cb 0.07 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 28.67 1jgt n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jgt n GLY 42 N 0.77 4.21 0.14 1.08 0.00 -0.63 -1.69 105.19 109.07 1jgt n GLY 42 Ca 0.15 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1jgt n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jgt h GLU 43 N 0.00 0.00 -0.07 1.61 4.57 -1.92 -2.73 114.58 116.04 1jgt h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jgt h GLU 43 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1jgt h GLU 43 CO 0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 1jgt n ARG 44 N -2.33 1.91 -3.00 1.92 1.74 -0.68 -4.52 116.66 111.69 1jgt n ARG 44 Ca 0.03 -1.33 -0.19 0.00 -0.77 0.00 0.00 57.85 55.58 1jgt n ARG 44 Cb 0.28 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1jgt n ARG 44 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jgt s SER 45 N -1.90 5.64 -0.19 0.55 1.04 -1.03 -4.81 113.70 112.99 1jgt s SER 45 Ca 0.35 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.42 1jgt s SER 45 Cb 0.20 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 1jgt s SER 45 CO 0.31 -0.79 0.64 -0.22 0.98 0.00 0.00 173.24 174.17 1jgt s LEU 46 N -4.46 4.15 0.05 2.42 2.96 -1.26 -4.75 118.68 117.79 1jgt s LEU 46 Ca 0.52 0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 55.18 1jgt s LEU 46 Cb -0.10 -2.91 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1jgt s LEU 46 CO 0.35 -0.28 0.39 0.00 -1.32 0.00 0.00 176.35 175.49 1jgt s ALA 47 N 1.92 3.72 -0.24 5.97 0.00 -0.05 -4.83 121.76 128.26 1jgt s ALA 47 Ca 0.29 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1jgt s ALA 47 Cb -0.16 -2.29 0.08 0.00 0.00 0.00 0.00 23.12 20.75 1jgt s ALA 47 CO 0.11 0.55 0.77 0.00 0.00 0.00 0.00 175.76 177.18 1jgt s ALA 48 N -1.31 -1.81 -0.23 0.00 0.00 -1.26 0.55 121.76 117.70 1jgt s ALA 48 Ca 0.30 1.91 -0.03 0.00 0.00 0.00 0.00 51.96 54.14 1jgt s ALA 48 Cb -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1jgt s ALA 48 CO 0.16 -0.33 -0.06 0.99 0.00 0.00 0.00 175.76 176.53 1jgt s THR 49 N 0.12 3.12 -0.10 0.00 2.01 0.12 -0.83 115.64 120.09 1jgt s THR 49 Ca -0.01 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1jgt s THR 49 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1jgt s THR 49 CO 0.01 0.36 0.16 -0.76 -0.69 0.00 0.00 174.62 173.70 1jgt s LEU 50 N 1.42 4.39 -0.20 4.42 1.43 0.87 -1.76 118.68 129.25 1jgt s LEU 50 Ca 0.04 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1jgt s LEU 50 Cb -0.15 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1jgt s LEU 50 CO -0.04 0.38 -0.00 0.54 0.23 0.00 0.00 176.35 177.46 1jgt s VAL 51 N -1.08 3.97 0.27 -1.59 0.11 -0.68 -0.47 120.40 120.93 1jgt s VAL 51 Ca 0.17 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 1jgt s VAL 51 Cb -0.12 -2.79 -0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1jgt s VAL 51 CO 0.07 0.43 0.47 -1.38 -3.33 0.00 0.00 175.10 171.36 1jgt s HIS 52 N 0.93 0.51 0.01 1.54 -0.00 -0.61 -1.22 115.29 116.45 1jgt s HIS 52 Ca 0.01 -0.86 -0.33 0.00 -0.00 0.00 0.00 55.06 53.88 1jgt s HIS 52 Cb -0.14 0.13 -0.12 0.00 -0.00 0.00 0.00 32.58 32.45 1jgt s HIS 52 CO 0.02 -1.02 1.80 0.00 -0.00 0.00 0.00 174.74 175.54 1jgt n ALA 53 N -0.41 1.20 -1.72 -1.38 0.00 -1.26 -1.13 120.51 115.81 1jgt n ALA 53 Ca -0.01 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1jgt n ALA 53 Cb 0.62 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 1jgt n ALA 53 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jgt n PRO 54 N 5.72 2.27 0.00 0.00 -0.02 -1.26 -2.43 135.00 139.29 1jgt n PRO 54 Ca 0.20 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1jgt n PRO 54 Cb 0.31 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1jgt n PRO 54 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jgt n SER 55 N 0.81 0.00 -4.28 2.55 3.41 -1.26 -4.99 113.62 109.86 1jgt n SER 55 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 1jgt n SER 55 Cb 0.36 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1jgt n SER 55 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jgt s VAL 56 N -2.62 4.10 0.27 -3.33 1.01 -1.02 -5.07 120.40 113.75 1jgt s VAL 56 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 1jgt s VAL 56 Cb 0.00 -3.43 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 1jgt s VAL 56 CO 0.00 -0.36 1.36 0.00 0.00 0.00 0.00 175.10 176.10 1jgt n ALA 57 N 4.88 1.14 0.93 5.51 0.00 -1.26 -4.71 120.51 127.01 1jgt n ALA 57 Ca -0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1jgt n ALA 57 Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1jgt n ALA 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jgt n PRO 58 N 1.57 0.93 -0.32 0.00 -0.04 -1.26 -4.54 135.00 131.34 1jgt n PRO 58 Ca 0.10 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.71 1jgt n PRO 58 Cb 0.33 -1.41 0.35 0.00 -0.04 0.00 0.00 33.50 32.73 1jgt n PRO 58 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jgt h ASP 59 N 0.08 0.41 0.19 3.54 3.32 -1.88 0.25 116.42 122.34 1jgt h ASP 59 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1jgt h ASP 59 Cb 0.53 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1jgt h ASP 59 CO 0.00 -0.01 0.00 0.54 -1.72 0.00 0.00 179.24 178.05 1jgt n ARG 60 N -5.02 0.39 0.00 3.56 1.74 -1.26 -2.16 116.66 113.90 1jgt n ARG 60 Ca 0.25 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 1jgt n ARG 60 Cb 0.73 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.83 1jgt n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jgt n ALA 61 N -1.16 2.93 -2.60 7.54 0.00 0.08 -3.32 120.51 123.98 1jgt n ALA 61 Ca 0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 53.44 52.69 1jgt n ALA 61 Cb 0.11 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.50 1jgt n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jgt s VAL 62 N -2.23 1.40 0.01 0.00 1.01 -0.92 -0.52 120.40 119.15 1jgt s VAL 62 Ca 0.26 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1jgt s VAL 62 Cb 0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1jgt s VAL 62 CO 0.43 0.40 -0.00 0.00 0.00 0.00 0.00 175.10 175.92 1jgt s ALA 63 N -0.29 0.04 0.20 5.51 0.00 -0.30 -4.66 121.76 122.26 1jgt s ALA 63 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1jgt s ALA 63 Cb -0.08 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1jgt s ALA 63 CO 0.00 -0.10 -0.00 1.03 0.00 0.00 0.00 175.76 176.69 1jgt s ARG 64 N -0.88 1.22 0.49 0.00 0.52 -1.26 -0.55 118.95 118.48 1jgt s ARG 64 Ca -0.10 -1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 53.29 1jgt s ARG 64 Cb -0.06 -0.44 -0.08 0.00 0.52 0.00 0.00 34.95 34.89 1jgt s ARG 64 CO -0.00 -0.11 1.02 0.45 0.02 0.00 0.00 175.30 176.67 1jgt n SER 65 N -0.33 1.22 -1.23 0.23 2.88 -0.75 -4.91 113.62 110.73 1jgt n SER 65 Ca -0.06 0.96 0.11 0.00 -1.33 0.00 0.00 58.87 58.56 1jgt n SER 65 Cb 0.63 -1.38 0.28 0.00 -0.75 0.00 0.00 64.21 63.00 1jgt n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jgt n LEU 66 N 0.03 3.59 -0.10 2.46 4.77 -1.26 -3.93 117.00 122.57 1jgt n LEU 66 Ca 0.10 -1.73 0.04 0.00 -0.03 0.00 0.00 56.01 54.40 1jgt n LEU 66 Cb 0.42 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1jgt n LEU 66 CO 0.54 0.86 0.54 0.35 -1.33 0.00 0.00 177.39 178.35 1jgt n THR 67 N 1.49 1.33 -2.15 -5.08 -2.24 -1.26 -4.98 114.28 101.38 1jgt n THR 67 Ca 0.22 -1.43 -0.15 0.00 -2.27 0.00 0.00 64.05 60.42 1jgt n THR 67 Cb 0.59 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1jgt n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgt n GLY 68 N -0.73 0.03 3.91 3.38 0.00 -1.25 -5.02 105.19 105.50 1jgt n GLY 68 Ca 0.07 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1jgt n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt s ALA 69 N -2.71 4.08 -0.86 4.61 0.00 -1.26 -5.01 121.76 120.60 1jgt s ALA 69 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.13 1jgt s ALA 69 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 1jgt s ALA 69 CO 0.00 -0.11 2.02 -0.35 0.00 0.00 0.00 175.76 177.32 1jgt n PRO 70 N -1.55 1.83 -3.97 0.00 -0.04 -1.26 -4.43 135.00 125.58 1jgt n PRO 70 Ca 0.02 -1.69 -0.23 0.00 -0.04 0.00 0.00 63.50 61.56 1jgt n PRO 70 Cb 0.60 -2.71 -0.17 0.00 -0.04 0.00 0.00 33.50 31.18 1jgt n PRO 70 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jgt s THR 71 N 4.18 0.62 0.01 0.52 2.01 -1.26 -1.53 115.64 120.20 1jgt s THR 71 Ca 0.48 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1jgt s THR 71 Cb 0.12 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1jgt s THR 71 CO 0.04 0.28 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.33 1jgt s THR 72 N 1.51 0.14 -0.02 -0.82 2.01 -0.42 -1.81 115.64 116.22 1jgt s THR 72 Ca -0.01 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1jgt s THR 72 Cb -0.13 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 1jgt s THR 72 CO -0.04 -0.29 -0.11 0.00 -0.69 0.00 0.00 174.62 173.50 1jgt s ALA 73 N -0.90 0.96 -0.06 7.40 0.00 0.28 -1.00 121.76 128.44 1jgt s ALA 73 Ca -0.09 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1jgt s ALA 73 Cb -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1jgt s ALA 73 CO -0.00 0.19 -0.20 0.08 0.00 0.00 0.00 175.76 175.83 1jgt s VAL 74 N 0.01 1.64 -0.05 0.00 1.01 -0.16 -1.15 120.40 121.71 1jgt s VAL 74 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1jgt s VAL 74 Cb -0.07 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1jgt s VAL 74 CO 0.00 0.47 -0.06 -0.22 0.00 0.00 0.00 175.10 175.29 1jgt s LEU 75 N 0.08 1.41 -0.16 3.92 0.20 0.33 -1.50 118.68 122.95 1jgt s LEU 75 Ca -0.07 -0.17 -0.07 0.00 0.69 0.00 0.00 54.13 54.52 1jgt s LEU 75 Cb -0.13 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 1jgt s LEU 75 CO 0.04 -0.03 0.07 0.00 -0.29 0.00 0.00 176.35 176.13 1jgt s ALA 76 N 0.85 3.46 0.00 5.97 0.00 -0.27 -4.49 121.76 127.28 1jgt s ALA 76 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1jgt s ALA 76 Cb -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1jgt s ALA 76 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1jgt n GLY 77 N 3.14 -0.63 3.48 0.00 0.00 0.22 -1.66 105.19 109.73 1jgt n GLY 77 Ca -0.17 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1jgt n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jgt s GLU 78 N 0.00 1.35 -0.04 1.61 -1.05 -0.11 -4.38 118.70 116.08 1jgt s GLU 78 Ca 0.00 -1.12 0.05 0.00 -0.15 0.00 0.00 54.97 53.75 1jgt s GLU 78 Cb 0.00 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1jgt s GLU 78 CO 0.00 -0.54 -0.17 0.42 0.95 0.00 0.00 175.26 175.91 1jgt s ILE 79 N -3.96 2.80 -0.19 1.83 1.01 -1.26 -0.83 121.20 120.59 1jgt s ILE 79 Ca 0.17 -0.84 0.13 0.00 0.00 0.00 0.00 60.65 60.11 1jgt s ILE 79 Cb 0.01 -2.07 -0.23 0.00 0.01 0.00 0.00 42.46 40.17 1jgt s ILE 79 CO 0.02 0.58 0.09 -1.22 0.00 0.00 0.00 174.94 174.41 1jgt n TYR 80 N 2.31 0.17 -2.17 3.97 4.01 0.49 -4.55 117.16 121.39 1jgt n TYR 80 Ca -0.17 0.05 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 1jgt n TYR 80 Cb 0.52 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 1jgt n TYR 80 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1jgt n ASN 81 N -2.92 7.56 -0.13 7.72 2.04 -1.11 -4.73 115.26 123.69 1jgt n ASN 81 Ca -0.34 -3.43 -0.10 0.00 -0.44 0.00 0.00 54.58 50.28 1jgt n ASN 81 Cb 1.11 -1.24 -0.02 0.00 -2.53 0.00 0.00 39.78 37.10 1jgt n ASN 81 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1jgt h ARG 82 N 4.11 0.61 -0.68 -3.83 3.08 -1.90 -1.97 114.38 113.78 1jgt h ARG 82 Ca 0.59 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.49 1jgt h ARG 82 Cb 0.33 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1jgt h ARG 82 CO 1.29 0.66 0.42 -0.44 -1.07 0.00 0.00 179.97 180.82 1jgt h ASP 83 N 0.46 0.81 -0.59 7.04 3.32 -1.98 0.19 116.42 125.66 1jgt h ASP 83 Ca 0.11 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1jgt h ASP 83 Cb 0.33 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1jgt h ASP 83 CO 0.00 0.63 0.28 -0.33 -1.72 0.00 0.00 179.24 178.11 1jgt h GLU 84 N 0.93 0.85 -0.45 3.56 3.07 -1.92 -1.71 114.58 118.91 1jgt h GLU 84 Ca 0.24 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 1jgt h GLU 84 Cb -0.04 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1jgt h GLU 84 CO -0.05 0.69 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.96 1jgt h LEU 85 N 0.81 0.97 -1.70 1.33 3.38 -0.97 -2.70 115.31 116.42 1jgt h LEU 85 Ca 0.20 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1jgt h LEU 85 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jgt h LEU 85 CO -0.03 1.16 0.06 -0.07 0.09 0.00 0.00 178.44 179.65 1jgt h LEU 86 N 0.78 0.23 -0.80 1.67 3.38 -0.43 -2.23 115.31 117.91 1jgt h LEU 86 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jgt h LEU 86 Cb 0.79 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jgt h LEU 86 CO 0.07 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 177.28 1jgt n SER 87 N -4.45 0.71 -1.01 -0.43 3.41 -0.66 -2.61 113.62 108.58 1jgt n SER 87 Ca -0.00 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1jgt n SER 87 Cb 0.13 -0.83 0.23 0.00 -0.26 0.00 0.00 64.21 63.48 1jgt n SER 87 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jgt n VAL 88 N -2.29 0.89 -3.83 -3.33 0.24 -0.84 -4.98 118.33 104.19 1jgt n VAL 88 Ca 0.02 -0.95 -0.36 0.00 -2.04 0.00 0.00 64.34 61.01 1jgt n VAL 88 Cb 0.22 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 1jgt n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jgt s LEU 89 N -1.06 4.39 0.00 1.34 1.43 -1.07 -5.08 118.68 118.64 1jgt s LEU 89 Ca 0.36 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1jgt s LEU 89 Cb 0.19 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1jgt s LEU 89 CO 0.25 0.36 0.00 -0.81 0.23 0.00 0.00 176.35 176.38 1jgt n PRO 90 N 1.67 2.94 0.17 1.29 -0.04 -1.26 -4.85 135.00 134.92 1jgt n PRO 90 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1jgt n PRO 90 Cb 0.54 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 1jgt n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgt h ALA 91 N -2.27 -0.36 0.00 0.55 0.00 -2.00 -3.50 119.26 111.68 1jgt h ALA 91 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jgt h ALA 91 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jgt h ALA 91 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1jgt n GLY 92 N -1.13 0.10 3.74 0.00 0.00 -1.26 -4.63 105.19 102.01 1jgt n GLY 92 Ca -0.10 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1jgt n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgt s PRO 93 N -2.00 1.42 -0.15 1.61 0.04 -1.26 -5.05 135.00 129.61 1jgt s PRO 93 Ca 0.00 0.77 -0.32 0.00 0.04 0.00 0.00 61.00 61.49 1jgt s PRO 93 Cb 0.00 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1jgt s PRO 93 CO 0.00 -2.11 2.06 0.00 0.04 0.00 0.00 177.00 176.99 1jgt n ALA 94 N -3.79 1.32 -1.71 8.56 0.00 -1.26 -4.88 120.51 118.75 1jgt n ALA 94 Ca 0.07 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1jgt n ALA 94 Cb 0.56 -2.67 -0.01 0.00 0.00 0.00 0.00 19.45 17.32 1jgt n ALA 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jgt n PRO 95 N 7.75 2.30 -3.86 0.00 -0.04 -1.26 -4.96 135.00 134.94 1jgt n PRO 95 Ca 0.28 0.81 -0.34 0.00 -0.04 0.00 0.00 63.50 64.21 1jgt n PRO 95 Cb 0.35 -2.48 -0.13 0.00 -0.04 0.00 0.00 33.50 31.21 1jgt n PRO 95 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1jgt s GLU 96 N -1.19 1.93 0.00 0.54 2.12 -1.26 -4.91 118.70 115.93 1jgt s GLU 96 Ca 0.61 -2.03 0.00 0.00 0.36 0.00 0.00 54.97 53.90 1jgt s GLU 96 Cb -0.56 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1jgt s GLU 96 CO 0.56 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1jgt n GLY 97 N 4.17 2.76 0.13 -1.50 0.00 -1.26 -4.65 105.19 104.84 1jgt n GLY 97 Ca 0.02 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 1jgt n GLY 97 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jgt h ASP 98 N 0.00 0.00 -0.45 1.61 3.45 -1.95 -2.41 116.42 116.67 1jgt h ASP 98 Ca 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 1jgt h ASP 98 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1jgt h ASP 98 CO 0.00 0.63 0.08 0.00 -1.57 0.00 0.00 179.24 178.39 1jgt h ALA 99 N 1.37 0.60 -0.36 3.45 0.00 -1.85 -1.01 119.26 121.45 1jgt h ALA 99 Ca -0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1jgt h ALA 99 Cb 1.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1jgt h ALA 99 CO 0.08 0.31 -0.20 0.93 0.00 0.00 0.00 179.25 180.38 1jgt h GLU 100 N 0.61 0.69 -0.54 0.00 5.08 -1.80 -1.23 114.58 117.39 1jgt h GLU 100 Ca 0.14 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jgt h GLU 100 Cb 0.37 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1jgt h GLU 100 CO 0.01 0.84 0.32 1.25 -1.00 0.00 0.00 179.01 180.43 1jgt h LEU 101 N 0.61 0.65 -0.42 1.33 5.85 -1.10 0.02 115.31 122.24 1jgt h LEU 101 Ca 0.09 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jgt h LEU 101 Cb 0.67 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1jgt h LEU 101 CO 0.05 0.51 0.26 0.58 -0.34 0.00 0.00 178.44 179.50 1jgt h VAL 102 N 0.72 1.13 -0.68 1.05 2.07 -0.90 -1.20 116.25 118.46 1jgt h VAL 102 Ca 0.19 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1jgt h VAL 102 Cb -0.01 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1jgt h VAL 102 CO -0.04 0.14 0.35 0.25 0.02 0.00 0.00 177.57 178.29 1jgt h LEU 103 N 0.56 0.86 -0.89 2.57 5.85 -0.70 0.39 115.31 123.95 1jgt h LEU 103 Ca 0.15 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1jgt h LEU 103 Cb -0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1jgt h LEU 103 CO -0.03 0.73 0.11 0.03 -0.34 0.00 0.00 178.44 178.94 1jgt h ARG 104 N 0.93 0.92 -0.52 1.25 2.47 -0.76 -2.27 114.38 116.40 1jgt h ARG 104 Ca 0.24 -0.22 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 1jgt h ARG 104 Cb 0.08 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1jgt h ARG 104 CO -0.03 0.85 -0.06 -0.07 0.56 0.00 0.00 179.97 181.22 1jgt h LEU 105 N 0.88 0.91 -1.76 3.04 3.38 -0.56 -2.52 115.31 118.68 1jgt h LEU 105 Ca 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jgt h LEU 105 Cb 0.37 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jgt h LEU 105 CO 0.01 1.00 -0.16 -0.07 0.09 0.00 0.00 178.44 179.31 1jgt h LEU 106 N 0.84 0.00 -1.09 1.67 3.38 -0.48 -0.07 115.31 119.56 1jgt h LEU 106 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1jgt h LEU 106 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1jgt h LEU 106 CO 0.04 0.16 -0.41 -0.33 0.09 0.00 0.00 178.44 177.98 1jgt h GLU 107 N 0.00 0.00 0.05 1.13 5.08 -0.97 0.86 114.58 120.72 1jgt h GLU 107 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1jgt h GLU 107 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1jgt h GLU 107 CO 0.02 0.41 -2.16 -2.13 -1.00 0.00 0.00 179.01 174.16 1jgt n ARG 108 N -3.80 0.69 0.00 2.33 0.63 -0.64 -4.65 116.66 111.23 1jgt n ARG 108 Ca -0.01 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1jgt n ARG 108 Cb 0.48 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1jgt n ARG 108 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jgt n TYR 109 N -3.23 0.00 -4.23 -0.14 4.01 -0.13 -5.07 117.16 108.36 1jgt n TYR 109 Ca -0.34 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1jgt n TYR 109 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1jgt n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jgt n ASP 110 N -0.02 0.00 0.24 7.72 2.03 0.29 -1.99 116.55 124.83 1jgt n ASP 110 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1jgt n ASP 110 Cb 0.02 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.28 1jgt n ASP 110 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1jgt h LEU 111 N 0.00 0.00 -0.13 -2.67 8.10 -1.93 -1.21 115.31 117.47 1jgt h LEU 111 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgt h LEU 111 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1jgt h LEU 111 CO 0.00 0.00 0.00 1.41 -4.11 0.00 0.00 178.44 175.74 1jgt n HIS 112 N -2.65 0.15 -0.30 0.17 8.25 -0.84 -2.61 115.22 117.38 1jgt n HIS 112 Ca -0.02 0.06 0.10 0.00 -0.26 0.00 0.00 57.72 57.60 1jgt n HIS 112 Cb 0.07 -0.59 0.33 0.00 1.12 0.00 0.00 29.99 30.92 1jgt n HIS 112 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jgt h ALA 113 N 2.44 1.72 0.00 -1.41 0.00 -1.32 -0.98 119.26 119.70 1jgt h ALA 113 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jgt h ALA 113 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jgt h ALA 113 CO 0.00 0.04 0.00 0.74 0.00 0.00 0.00 179.25 180.03 1jgt h PHE 114 N 0.80 0.00 0.00 0.00 -1.00 -1.75 -1.63 116.94 113.36 1jgt h PHE 114 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1jgt h PHE 114 Cb 0.63 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1jgt h PHE 114 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 1jgt h ARG 115 N 0.00 0.00 0.00 1.51 3.08 -1.40 -3.16 114.38 114.42 1jgt h ARG 115 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jgt h ARG 115 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1jgt h ARG 115 CO 0.00 0.00 -1.72 1.28 -1.07 0.00 0.00 179.97 178.46 1jgt n LEU 116 N -2.40 0.24 -4.68 3.04 4.77 -0.61 -4.97 117.00 112.39 1jgt n LEU 116 Ca 0.03 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1jgt n LEU 116 Cb 0.30 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1jgt n LEU 116 CO 0.24 -0.05 0.62 -0.69 -1.33 0.00 0.00 177.39 176.18 1jgt s VAL 117 N -3.47 4.89 -0.42 4.08 1.01 -1.19 -4.97 120.40 120.32 1jgt s VAL 117 Ca -0.06 1.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.57 1jgt s VAL 117 Cb 0.13 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.45 1jgt s VAL 117 CO 0.88 0.06 0.24 0.21 0.00 0.00 0.00 175.10 176.48 1jgt s ASN 118 N 1.09 5.42 0.00 3.32 2.47 -1.26 -4.69 114.94 121.29 1jgt s ASN 118 Ca 0.41 -1.83 0.00 0.00 0.42 0.00 0.00 52.86 51.85 1jgt s ASN 118 Cb -0.17 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.73 1jgt s ASN 118 CO 0.15 -0.56 0.00 0.61 -3.72 0.00 0.00 177.10 173.58 1jgt n GLY 119 N 4.74 3.16 2.53 1.21 0.00 -1.26 -0.38 105.19 115.20 1jgt n GLY 119 Ca -0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1jgt n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jgt s ARG 120 N 0.36 0.79 0.25 1.61 3.52 -0.01 -4.70 118.95 120.77 1jgt s ARG 120 Ca 0.00 -1.58 -0.16 0.00 -0.13 0.00 0.00 55.73 53.86 1jgt s ARG 120 Cb 0.00 -1.62 0.01 0.00 -1.56 0.00 0.00 34.95 31.78 1jgt s ARG 120 CO 0.00 -1.21 0.56 -0.59 -0.81 0.00 0.00 175.30 173.26 1jgt s PHE 121 N 0.80 0.11 -0.03 5.12 -0.71 -1.26 -0.94 117.98 121.07 1jgt s PHE 121 Ca 0.19 -0.51 -0.02 0.00 -1.04 0.00 0.00 56.93 55.55 1jgt s PHE 121 Cb -0.22 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 42.00 1jgt s PHE 121 CO -0.00 -1.06 0.07 0.00 -1.34 0.00 0.00 175.22 172.88 1jgt s ALA 122 N -3.97 -0.11 0.02 1.99 0.00 -0.66 -2.60 121.76 116.43 1jgt s ALA 122 Ca 0.17 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1jgt s ALA 122 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1jgt s ALA 122 CO 0.07 -0.09 0.05 -0.08 0.00 0.00 0.00 175.76 175.71 1jgt s THR 123 N 0.69 0.12 -0.03 0.00 -1.32 -0.28 -1.11 115.64 113.70 1jgt s THR 123 Ca -0.05 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.50 1jgt s THR 123 Cb -0.08 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.37 1jgt s THR 123 CO -0.03 -0.52 -0.09 0.54 -2.21 0.00 0.00 174.62 172.31 1jgt s VAL 124 N -1.89 0.81 -0.02 5.08 0.11 -0.57 -1.51 120.40 122.41 1jgt s VAL 124 Ca -0.11 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1jgt s VAL 124 Cb -0.06 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1jgt s VAL 124 CO -0.02 0.26 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.23 1jgt s VAL 125 N 0.32 0.80 -0.12 2.04 1.01 -0.21 -0.99 120.40 123.25 1jgt s VAL 125 Ca -0.05 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1jgt s VAL 125 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1jgt s VAL 125 CO 0.01 0.24 -0.18 -0.60 0.00 0.00 0.00 175.10 174.57 1jgt s ARG 126 N 0.06 2.57 -0.28 2.72 3.52 -0.17 -0.57 118.95 126.80 1jgt s ARG 126 Ca -0.01 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1jgt s ARG 126 Cb -0.07 -2.13 0.09 0.00 -1.56 0.00 0.00 34.95 31.27 1jgt s ARG 126 CO 0.00 -0.04 0.05 0.99 -0.81 0.00 0.00 175.30 175.49 1jgt s THR 127 N 0.91 1.15 0.00 4.11 2.01 -0.20 -1.30 115.64 122.33 1jgt s THR 127 Ca -0.07 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.56 1jgt s THR 127 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1jgt s THR 127 CO -0.02 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1jgt n GLY 128 N 4.76 3.74 1.47 4.40 0.00 -0.58 -1.31 105.19 117.68 1jgt n GLY 128 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1jgt n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jgt n ASP 129 N 8.05 3.76 -4.48 1.61 10.43 -1.26 -4.93 116.55 129.73 1jgt n ASP 129 Ca 0.00 -3.38 -0.33 0.00 2.57 0.00 0.00 54.79 53.65 1jgt n ASP 129 Cb 0.00 -0.67 -0.13 0.00 1.84 0.00 0.00 41.12 42.16 1jgt n ASP 129 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1jgt s ARG 130 N -3.06 3.06 -0.09 -1.24 3.52 -0.43 -1.34 118.95 119.37 1jgt s ARG 130 Ca 0.49 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1jgt s ARG 130 Cb 0.41 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 1jgt s ARG 130 CO 0.08 0.44 -0.14 0.08 -0.81 0.00 0.00 175.30 174.94 1jgt s VAL 131 N -0.21 1.37 -0.09 7.11 1.01 -0.19 -1.03 120.40 128.36 1jgt s VAL 131 Ca 0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1jgt s VAL 131 Cb -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1jgt s VAL 131 CO 0.03 0.41 -0.06 -0.76 0.00 0.00 0.00 175.10 174.72 1jgt s LEU 132 N 0.79 3.18 -0.06 3.92 1.43 0.26 -0.26 118.68 127.95 1jgt s LEU 132 Ca -0.11 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1jgt s LEU 132 Cb -0.16 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1jgt s LEU 132 CO 0.02 0.31 -0.17 -0.76 0.23 0.00 0.00 176.35 175.98 1jgt s LEU 133 N -0.50 1.88 -0.02 1.79 1.43 -0.73 -1.04 118.68 121.50 1jgt s LEU 133 Ca 0.07 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 1jgt s LEU 133 Cb -0.12 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.07 1jgt s LEU 133 CO 0.02 0.13 0.14 0.00 0.23 0.00 0.00 176.35 176.87 1jgt s ALA 134 N 0.24 -0.34 0.40 4.21 0.00 -0.57 -0.52 121.76 125.19 1jgt s ALA 134 Ca -0.09 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1jgt s ALA 134 Cb -0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1jgt s ALA 134 CO 0.04 -0.16 0.09 0.95 0.00 0.00 0.00 175.76 176.69 1jgt s THR 135 N -0.82 2.22 0.92 0.00 -4.23 -0.91 -1.13 115.64 111.69 1jgt s THR 135 Ca -0.09 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1jgt s THR 135 Cb -0.05 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1jgt s THR 135 CO 0.01 -0.02 1.27 1.51 -0.54 0.00 0.00 174.62 176.85 1jgt s ASP 136 N -3.81 3.43 0.41 3.99 1.47 -1.07 -4.22 116.67 116.87 1jgt s ASP 136 Ca 0.38 0.28 0.17 0.00 1.18 0.00 0.00 52.55 54.57 1jgt s ASP 136 Cb 0.06 -0.42 1.07 0.00 -0.34 0.00 0.00 42.92 43.29 1jgt s ASP 136 CO 0.20 -2.54 1.83 1.12 0.68 0.00 0.00 175.17 176.47 1jgt h HIS 137 N -1.46 0.59 -0.42 2.11 2.07 -1.84 0.21 115.15 116.42 1jgt h HIS 137 Ca -0.44 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1jgt h HIS 137 Cb 1.25 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1jgt h HIS 137 CO -0.86 0.13 0.00 0.00 -3.07 0.00 0.00 177.93 174.13 1jgt n ALA 138 N -2.50 2.29 -3.21 6.11 0.00 -1.26 -2.52 120.51 119.42 1jgt n ALA 138 Ca 0.21 -1.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.31 1jgt n ALA 138 Cb 0.73 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 19.58 1jgt n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 139 N 0.95 -0.51 0.32 0.00 0.00 -0.61 -4.83 105.19 100.52 1jgt n GLY 139 Ca 0.15 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.49 1jgt n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jgt h SER 140 N -1.22 0.00 -3.79 1.61 4.64 -1.88 -3.30 113.55 109.61 1jgt h SER 140 Ca -0.48 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 1jgt h SER 140 Cb 1.33 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.05 1jgt h SER 140 CO 0.55 0.01 -0.56 -0.69 -0.87 0.00 0.00 176.83 175.27 1jgt s VAL 141 N -4.05 3.05 0.26 0.95 1.01 -1.26 -3.68 120.40 116.68 1jgt s VAL 141 Ca -0.03 -2.49 -0.29 0.00 0.00 0.00 0.00 61.98 59.17 1jgt s VAL 141 Cb 0.12 -3.10 -0.15 0.00 0.00 0.00 0.00 36.38 33.25 1jgt s VAL 141 CO 0.47 -0.72 0.95 -2.65 0.00 0.00 0.00 175.10 173.14 1jgt n PRO 142 N 4.08 1.11 -3.88 2.72 -0.02 -1.25 -4.59 135.00 133.18 1jgt n PRO 142 Ca 0.02 0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1jgt n PRO 142 Cb 0.39 -1.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.99 1jgt n PRO 142 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jgt s LEU 143 N 0.88 0.86 0.28 2.45 2.96 -1.26 -4.38 118.68 120.46 1jgt s LEU 143 Ca 0.61 -0.05 0.12 0.00 -0.22 0.00 0.00 54.13 54.59 1jgt s LEU 143 Cb -0.76 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 1jgt s LEU 143 CO 0.58 -0.14 -0.16 -0.31 -1.32 0.00 0.00 176.35 175.00 1jgt s TYR 144 N 1.48 2.37 0.07 5.38 2.02 0.85 -0.41 117.35 129.11 1jgt s TYR 144 Ca -0.03 -0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 1jgt s TYR 144 Cb -0.13 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1jgt s TYR 144 CO -0.03 0.70 0.38 -0.08 -1.57 0.00 0.00 175.55 174.94 1jgt s THR 145 N -2.45 0.07 -0.24 -0.71 -1.32 0.44 -1.07 115.64 110.35 1jgt s THR 145 Ca 0.30 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 60.19 1jgt s THR 145 Cb -0.05 -1.05 0.07 0.00 -1.51 0.00 0.00 72.50 69.96 1jgt s THR 145 CO 0.16 -0.32 0.01 0.00 -2.21 0.00 0.00 174.62 172.25 1jgt s VAL 147 N 1.57 2.53 0.10 0.00 1.01 -1.25 -0.98 120.40 123.39 1jgt s VAL 147 Ca -0.01 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1jgt s VAL 147 Cb -0.18 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1jgt s VAL 147 CO -0.10 0.56 0.27 0.00 0.00 0.00 0.00 175.10 175.83 1jgt s ALA 148 N -0.09 -0.50 -0.09 5.51 0.00 -0.28 -1.95 121.76 124.36 1jgt s ALA 148 Ca -0.04 -0.39 -0.35 0.00 0.00 0.00 0.00 51.96 51.18 1jgt s ALA 148 Cb -0.14 0.56 -0.12 0.00 0.00 0.00 0.00 23.12 23.42 1jgt s ALA 148 CO 0.04 -0.56 1.85 -2.30 0.00 0.00 0.00 175.76 174.80 1jgt n PRO 149 N -0.11 2.10 -0.04 0.00 -0.02 -1.26 -0.93 135.00 134.74 1jgt n PRO 149 Ca -0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1jgt n PRO 149 Cb 0.63 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1jgt n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgt n GLY 150 N 4.33 1.32 3.26 -1.23 0.00 0.71 -4.93 105.19 108.65 1jgt n GLY 150 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1jgt n GLY 150 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jgt s GLU 151 N -0.54 0.38 -0.10 1.61 2.12 -0.10 -1.23 118.70 120.84 1jgt s GLU 151 Ca 0.00 0.76 0.02 0.00 0.36 0.00 0.00 54.97 56.10 1jgt s GLU 151 Cb 0.00 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.39 1jgt s GLU 151 CO 0.00 -0.15 -0.16 0.08 -0.54 0.00 0.00 175.26 174.49 1jgt s VAL 152 N 1.31 1.50 -0.09 3.70 1.01 -0.07 -1.13 120.40 126.64 1jgt s VAL 152 Ca -0.09 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1jgt s VAL 152 Cb -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1jgt s VAL 152 CO -0.12 0.44 -0.21 -0.13 0.00 0.00 0.00 175.10 175.08 1jgt s ARG 153 N 0.89 2.66 -0.00 2.72 0.52 -0.15 -1.14 118.95 124.44 1jgt s ARG 153 Ca -0.09 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1jgt s ARG 153 Cb -0.15 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 1jgt s ARG 153 CO 0.00 0.18 -0.10 0.00 0.02 0.00 0.00 175.30 175.39 1jgt s ALA 154 N 0.33 0.86 0.00 2.13 0.00 -0.57 -0.30 121.76 124.20 1jgt s ALA 154 Ca -0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1jgt s ALA 154 Cb -0.17 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1jgt s ALA 154 CO 0.07 0.20 0.30 0.45 0.00 0.00 0.00 175.76 176.78 1jgt s SER 155 N -0.37 -0.16 0.00 0.00 0.15 -0.23 -0.26 113.70 112.82 1jgt s SER 155 Ca 0.03 -0.00 0.31 0.00 0.70 0.00 0.00 55.95 56.99 1jgt s SER 155 Cb -0.04 0.32 1.79 0.00 -1.71 0.00 0.00 66.02 66.37 1jgt s SER 155 CO -0.00 -0.49 2.17 0.35 1.20 0.00 0.00 173.24 176.47 1jgt n THR 156 N 1.09 0.00 -3.69 6.45 -2.24 -0.89 -0.10 114.28 114.90 1jgt n THR 156 Ca -0.21 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 1jgt n THR 156 Cb 0.57 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.19 1jgt n THR 156 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jgt s GLU 157 N -2.10 -0.03 0.41 -0.78 2.02 -1.26 -4.64 118.70 112.31 1jgt s GLU 157 Ca 0.44 0.41 0.10 0.00 0.02 0.00 0.00 54.97 55.94 1jgt s GLU 157 Cb 0.22 -0.38 0.91 0.00 0.10 0.00 0.00 34.13 34.98 1jgt s GLU 157 CO 0.39 -0.29 1.99 0.00 0.02 0.00 0.00 175.26 177.36 1jgt h ALA 158 N 8.18 1.87 -0.38 5.21 0.00 -1.96 -2.11 119.26 130.07 1jgt h ALA 158 Ca -0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1jgt h ALA 158 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jgt h ALA 158 CO 0.21 0.02 0.26 1.57 0.00 0.00 0.00 179.25 181.31 1jgt h LYS 159 N 0.54 0.32 0.00 0.00 2.10 -1.89 -0.16 116.57 117.47 1jgt h LYS 159 Ca 0.27 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.85 1jgt h LYS 159 Cb 0.35 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1jgt h LYS 159 CO -0.08 0.21 -0.23 0.00 -2.00 0.00 0.00 179.45 177.35 1jgt h ALA 160 N 1.79 1.10 0.03 0.07 0.00 -1.47 -0.86 119.26 119.92 1jgt h ALA 160 Ca 0.16 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1jgt h ALA 160 Cb 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1jgt h ALA 160 CO -0.04 0.29 -1.57 -0.07 0.00 0.00 0.00 179.25 177.86 1jgt h LEU 161 N 0.00 0.11 -0.35 0.00 3.38 -1.15 -3.33 115.31 113.96 1jgt h LEU 161 Ca -0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1jgt h LEU 161 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1jgt h LEU 161 CO 0.03 1.16 -0.21 0.00 0.09 0.00 0.00 178.44 179.51 1jgt h ALA 162 N 0.83 0.89 -0.11 1.53 0.00 -1.02 -3.19 119.26 118.19 1jgt h ALA 162 Ca -0.24 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1jgt h ALA 162 Cb 1.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1jgt h ALA 162 CO 0.10 0.26 0.20 0.00 0.00 0.00 0.00 179.25 179.81 1jgt h ALA 163 N 1.79 1.56 -2.31 0.00 0.00 -1.27 -3.42 119.26 115.61 1jgt h ALA 163 Ca -0.00 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1jgt h ALA 163 Cb 1.04 0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.88 1jgt h ALA 163 CO 0.03 -0.25 0.40 -1.58 0.00 0.00 0.00 179.25 177.84 1jgt s HIS 164 N -4.43 3.52 -0.11 0.00 5.04 -1.21 -5.00 115.29 113.10 1jgt s HIS 164 Ca -0.04 1.36 -0.30 0.00 -1.54 0.00 0.00 55.06 54.54 1jgt s HIS 164 Cb 0.13 -2.76 -0.01 0.00 0.04 0.00 0.00 32.58 29.98 1jgt s HIS 164 CO 0.46 -0.64 1.08 0.50 -2.34 0.00 0.00 174.74 173.80 1jgt s ARG 165 N -4.78 4.37 -0.29 2.88 6.06 -1.26 -4.32 118.95 121.60 1jgt s ARG 165 Ca 0.57 1.48 -0.26 0.00 -2.50 0.00 0.00 55.73 55.02 1jgt s ARG 165 Cb -0.11 -3.58 0.04 0.00 0.06 0.00 0.00 34.95 31.36 1jgt s ARG 165 CO 0.46 -0.42 0.43 -0.40 -2.50 0.00 0.00 175.30 172.87 1jgt n ASP 166 N 5.36 -5.30 -4.69 -2.12 5.68 -1.26 -4.79 116.55 109.43 1jgt n ASP 166 Ca 0.10 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.96 1jgt n ASP 166 Cb 0.47 -1.45 -0.02 0.00 -1.14 0.00 0.00 41.12 38.98 1jgt n ASP 166 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1jgt n PRO 167 N 0.25 2.15 -2.32 0.11 -0.02 -1.26 -4.87 135.00 129.05 1jgt n PRO 167 Ca -0.06 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1jgt n PRO 167 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1jgt n PRO 167 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jgt n LYS 168 N 1.54 3.33 -4.62 -0.52 4.76 -1.26 -4.40 118.16 116.98 1jgt n LYS 168 Ca 0.09 -3.32 -0.29 0.00 -2.87 0.00 0.00 58.31 51.92 1jgt n LYS 168 Cb 0.34 -3.11 -0.17 0.00 -1.84 0.00 0.00 35.03 30.25 1jgt n LYS 168 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1jgt s GLY 169 N 2.22 1.08 0.26 0.72 0.00 -1.20 -3.76 107.32 106.64 1jgt s GLY 169 Ca 0.44 -0.76 0.10 0.00 0.00 0.00 0.00 44.72 44.50 1jgt s GLY 169 CO -0.01 0.10 -0.17 -1.36 0.00 0.00 0.00 173.10 171.65 1jgt s PHE 170 N 0.81 2.08 0.18 1.90 0.40 -0.82 -3.99 117.98 118.54 1jgt s PHE 170 Ca -0.10 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.49 1jgt s PHE 170 Cb -0.16 -0.95 -0.17 0.00 0.51 0.00 0.00 43.02 42.26 1jgt s PHE 170 CO 0.01 0.57 0.75 -0.35 0.70 0.00 0.00 175.22 176.90 1jgt n PRO 171 N -0.55 0.34 -4.15 0.24 -0.04 -1.26 -4.63 135.00 124.96 1jgt n PRO 171 Ca -0.06 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1jgt n PRO 171 Cb 0.60 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 1jgt n PRO 171 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jgt s LEU 172 N 1.89 2.19 0.05 1.53 1.43 -1.26 -4.99 118.68 119.53 1jgt s LEU 172 Ca 0.68 -0.44 -0.35 0.00 -1.03 0.00 0.00 54.13 53.00 1jgt s LEU 172 Cb -0.94 -0.30 -0.14 0.00 0.03 0.00 0.00 46.19 44.84 1jgt s LEU 172 CO 0.56 -0.09 1.64 0.00 0.23 0.00 0.00 176.35 178.69 1jgt n ALA 173 N 1.85 0.80 0.00 4.21 0.00 -1.26 -1.62 120.51 124.48 1jgt n ALA 173 Ca -0.20 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1jgt n ALA 173 Cb 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1jgt n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jgt n ASP 174 N 4.29 0.00 -4.71 0.00 10.43 -1.26 -4.59 116.55 120.71 1jgt n ASP 174 Ca 0.19 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.13 1jgt n ASP 174 Cb 0.27 -0.31 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 1jgt n ASP 174 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jgt s ALA 175 N -0.74 3.21 -0.02 2.24 0.00 -0.64 -4.57 121.76 121.23 1jgt s ALA 175 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 1jgt s ALA 175 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1jgt s ALA 175 CO 0.00 -0.28 0.47 1.03 0.00 0.00 0.00 175.76 176.98 1jgt s ARG 176 N 1.07 4.13 0.18 0.00 0.52 -1.13 -4.48 118.95 119.24 1jgt s ARG 176 Ca 0.53 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 1jgt s ARG 176 Cb -0.22 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 1jgt s ARG 176 CO 0.28 0.50 1.32 0.50 0.02 0.00 0.00 175.30 177.91 1jgt s ARG 177 N -0.51 4.38 -0.27 3.54 3.52 -1.26 -0.58 118.95 127.77 1jgt s ARG 177 Ca 0.26 2.04 -0.29 0.00 -0.13 0.00 0.00 55.73 57.61 1jgt s ARG 177 Cb -0.17 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1jgt s ARG 177 CO 0.14 -0.28 1.05 0.08 -0.81 0.00 0.00 175.30 175.47 1jgt s VAL 178 N 0.34 4.61 0.28 7.11 1.01 0.03 -4.89 120.40 128.89 1jgt s VAL 178 Ca 0.58 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1jgt s VAL 178 Cb -0.36 -4.35 -0.11 0.00 0.00 0.00 0.00 36.38 31.56 1jgt s VAL 178 CO 0.36 -0.31 1.57 0.00 0.00 0.00 0.00 175.10 176.73 1jgt s ALA 179 N 3.39 3.74 0.00 5.51 0.00 -1.26 -2.14 121.76 130.99 1jgt s ALA 179 Ca 0.44 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1jgt s ALA 179 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1jgt s ALA 179 CO 0.10 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1jgt n GLY 180 N 2.32 1.03 3.34 0.00 0.00 -1.26 -5.03 105.19 105.58 1jgt n GLY 180 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1jgt n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgt s LEU 181 N 0.00 2.49 -0.08 0.99 1.43 -0.91 -4.84 118.68 117.76 1jgt s LEU 181 Ca 0.00 -1.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 1jgt s LEU 181 Cb 0.00 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 1jgt s LEU 181 CO 0.00 -0.28 -0.21 0.42 0.23 0.00 0.00 176.35 176.51 1jgt s THR 182 N -3.11 1.79 0.00 5.49 -4.23 -1.26 -4.68 115.64 109.64 1jgt s THR 182 Ca 0.23 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1jgt s THR 182 Cb 0.02 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1jgt s THR 182 CO 0.07 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1jgt n GLY 183 N 3.40 0.80 3.34 3.99 0.00 -1.26 -4.13 105.19 111.33 1jgt n GLY 183 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1jgt n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgt s VAL 184 N -3.07 3.14 0.12 1.61 1.01 -1.26 -3.23 120.40 118.71 1jgt s VAL 184 Ca 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1jgt s VAL 184 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1jgt s VAL 184 CO 0.00 0.49 -0.26 -0.31 0.00 0.00 0.00 175.10 175.02 1jgt s TYR 185 N 0.83 2.23 -0.16 5.22 1.51 -0.69 -0.79 117.35 125.50 1jgt s TYR 185 Ca -0.03 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 1jgt s TYR 185 Cb -0.15 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1jgt s TYR 185 CO 0.01 0.30 0.05 -1.14 -1.11 0.00 0.00 175.55 173.66 1jgt s GLN 186 N -1.96 3.75 0.21 -0.62 0.74 0.25 -0.42 119.66 121.60 1jgt s GLN 186 Ca 0.13 -0.36 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 1jgt s GLN 186 Cb -0.10 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.81 1jgt s GLN 186 CO 0.05 0.38 1.24 0.08 -0.55 0.00 0.00 175.29 176.49 1jgt s VAL 187 N 0.06 3.37 0.67 1.34 1.01 0.45 -2.82 120.40 124.48 1jgt s VAL 187 Ca 0.05 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 1jgt s VAL 187 Cb -0.12 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1jgt s VAL 187 CO 0.01 0.20 1.16 -2.84 0.00 0.00 0.00 175.10 173.62 1jgt s PRO 188 N -0.39 2.60 0.66 2.72 0.02 -1.26 -4.69 135.00 134.65 1jgt s PRO 188 Ca 0.53 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 62.98 1jgt s PRO 188 Cb -0.34 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.27 1jgt s PRO 188 CO 0.39 -1.44 1.13 0.00 -0.33 0.00 0.00 177.00 176.75 1jgt s ALA 189 N -2.10 2.42 -1.18 -1.55 0.00 -1.26 -3.68 121.76 114.41 1jgt s ALA 189 Ca 0.71 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 1jgt s ALA 189 Cb -0.25 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1jgt s ALA 189 CO 0.41 -1.34 0.75 0.41 0.00 0.00 0.00 175.76 175.99 1jgt n GLY 190 N -0.25 -0.85 3.36 0.00 0.00 0.64 -4.82 105.19 103.27 1jgt n GLY 190 Ca 0.11 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 1jgt n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt s ALA 191 N -3.54 -1.00 -0.05 4.61 0.00 -1.24 -0.17 121.76 120.37 1jgt s ALA 191 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1jgt s ALA 191 Cb -0.13 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.76 1jgt s ALA 191 CO 0.86 -0.68 0.02 0.54 0.00 0.00 0.00 175.76 176.49 1jgt s VAL 192 N -3.81 0.18 -0.19 0.00 0.11 -0.03 -2.15 120.40 114.52 1jgt s VAL 192 Ca 0.04 0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.19 1jgt s VAL 192 Cb 0.01 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1jgt s VAL 192 CO -0.11 0.21 0.19 -0.04 -3.33 0.00 0.00 175.10 172.03 1jgt s MET 193 N 1.86 4.20 -0.42 1.54 -1.94 0.32 -1.05 119.30 123.82 1jgt s MET 193 Ca 0.02 -0.12 -0.10 0.00 -1.71 0.00 0.00 55.69 53.78 1jgt s MET 193 Cb -0.12 -3.44 0.07 0.00 2.01 0.00 0.00 34.83 33.35 1jgt s MET 193 CO -0.04 0.24 0.27 0.34 -0.01 0.00 0.00 175.02 175.82 1jgt s ASP 194 N 0.50 5.71 -0.16 3.03 -1.08 0.27 -1.77 116.67 123.18 1jgt s ASP 194 Ca 0.11 -1.41 -0.05 0.00 -0.52 0.00 0.00 52.55 50.67 1jgt s ASP 194 Cb -0.12 -2.01 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 1jgt s ASP 194 CO 0.01 -0.53 0.02 -0.63 0.52 0.00 0.00 175.17 174.56 1jgt s ILE 195 N 1.47 4.40 -0.56 4.11 1.01 0.64 -1.92 121.20 130.35 1jgt s ILE 195 Ca 0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 1jgt s ILE 195 Cb -0.23 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.36 1jgt s ILE 195 CO 0.03 0.49 0.78 -0.62 0.00 0.00 0.00 174.94 175.63 1jgt s ASP 196 N 0.19 6.23 0.28 3.58 -1.08 -0.72 -1.03 116.67 124.13 1jgt s ASP 196 Ca 0.02 -0.90 0.02 0.00 -0.52 0.00 0.00 52.55 51.17 1jgt s ASP 196 Cb -0.13 -2.35 0.68 0.00 -1.46 0.00 0.00 42.92 39.66 1jgt s ASP 196 CO 0.02 -1.12 1.70 0.25 0.52 0.00 0.00 175.17 176.53 1jgt h LEU 197 N 10.38 0.28 -0.13 -1.34 5.85 -1.52 0.10 115.31 128.93 1jgt h LEU 197 Ca -0.28 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1jgt h LEU 197 Cb 1.08 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1jgt h LEU 197 CO 1.06 -0.00 0.07 1.23 -0.34 0.00 0.00 178.44 180.46 1jgt h GLY 198 N 0.39 0.20 1.18 3.75 0.00 -1.92 0.20 103.07 106.87 1jgt h GLY 198 Ca 0.54 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 1jgt h GLY 198 CO -0.52 0.09 -0.96 1.48 0.00 0.00 0.00 176.54 176.62 1jgt h SER 199 N 0.10 0.00 -0.16 0.19 4.64 -1.85 -3.08 113.55 113.39 1jgt h SER 199 Ca 0.05 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1jgt h SER 199 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1jgt h SER 199 CO -0.01 0.20 -0.06 0.61 -0.87 0.00 0.00 176.83 176.70 1jgt n GLY 200 N 1.23 0.64 3.89 -0.77 0.00 0.32 -4.17 105.19 106.33 1jgt n GLY 200 Ca -0.02 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1jgt n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgt s THR 201 N -2.08 5.12 0.03 2.61 -4.23 -1.24 -4.70 115.64 111.14 1jgt s THR 201 Ca 0.00 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1jgt s THR 201 Cb 0.00 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1jgt s THR 201 CO 0.00 0.04 -0.02 0.00 -0.54 0.00 0.00 174.62 174.10 1jgt s ALA 202 N -1.58 0.24 -0.10 3.99 0.00 -1.26 -1.75 121.76 121.30 1jgt s ALA 202 Ca 0.33 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1jgt s ALA 202 Cb -0.12 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1jgt s ALA 202 CO 0.27 -0.24 -0.24 0.08 0.00 0.00 0.00 175.76 175.63 1jgt s VAL 203 N -2.32 2.06 -0.07 0.00 1.01 -0.81 -4.41 120.40 115.87 1jgt s VAL 203 Ca -0.08 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1jgt s VAL 203 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1jgt s VAL 203 CO -0.04 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 174.64 1jgt s THR 204 N 0.34 3.49 -0.12 3.92 2.01 -1.26 -0.56 115.64 123.46 1jgt s THR 204 Ca -0.19 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1jgt s THR 204 Cb -0.18 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.92 1jgt s THR 204 CO 0.09 0.59 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.39 1jgt s HIS 205 N -0.65 2.46 0.11 4.92 3.76 -0.21 -4.98 115.29 120.70 1jgt s HIS 205 Ca 0.10 -1.14 -0.26 0.00 -0.15 0.00 0.00 55.06 53.61 1jgt s HIS 205 Cb -0.11 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 1jgt s HIS 205 CO 0.01 -0.51 0.80 1.03 -0.85 0.00 0.00 174.74 175.22 1jgt s ARG 206 N 0.67 4.56 0.00 1.40 1.81 -1.26 -0.85 118.95 125.28 1jgt s ARG 206 Ca -0.11 1.16 0.12 0.00 -1.72 0.00 0.00 55.73 55.17 1jgt s ARG 206 Cb -0.16 -3.32 0.13 0.00 -0.45 0.00 0.00 34.95 31.15 1jgt s ARG 206 CO 0.02 0.40 0.94 0.25 -0.68 0.00 0.00 175.30 176.23 1jgt n THR 207 N 2.29 0.16 -3.57 0.02 -2.24 0.76 -4.93 114.28 106.77 1jgt n THR 207 Ca -0.03 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.07 1jgt n THR 207 Cb 0.49 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 1jgt n THR 207 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1jgt s TRP 208 N -0.99 -0.33 -0.21 4.78 -0.00 -1.23 -4.59 118.94 116.36 1jgt s TRP 208 Ca 0.16 0.48 -0.24 0.00 -0.00 0.00 0.00 56.10 56.50 1jgt s TRP 208 Cb 0.10 0.47 0.06 0.00 -0.00 0.00 0.00 33.47 34.11 1jgt s TRP 208 CO 0.15 -0.36 0.65 -0.08 -0.00 0.00 0.00 176.95 177.31 1jgt s THR 209 N -1.61 0.00 0.30 5.86 -1.32 -1.26 -4.75 115.64 112.86 1jgt s THR 209 Ca 0.01 -0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 1jgt s THR 209 Cb -0.01 -0.92 -0.13 0.00 -1.51 0.00 0.00 72.50 69.94 1jgt s THR 209 CO -0.01 -0.01 1.35 -2.65 -2.21 0.00 0.00 174.62 171.08 1jgt n PRO 210 N 2.39 2.12 -2.07 7.08 -0.02 -1.26 -4.92 135.00 138.31 1jgt n PRO 210 Ca -0.15 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 1jgt n PRO 210 Cb 0.56 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1jgt n PRO 210 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jgt s GLY 211 N -0.04 2.83 -0.01 -1.23 0.00 -1.26 -4.92 107.32 102.69 1jgt s GLY 211 Ca 0.61 1.11 0.12 0.00 0.00 0.00 0.00 44.72 46.55 1jgt s GLY 211 CO 0.57 1.60 0.38 1.04 0.00 0.00 0.00 173.10 176.69 1jgt n LEU 212 N -0.60 0.28 -4.96 0.66 4.77 -1.26 -4.91 117.00 110.98 1jgt n LEU 212 Ca 0.08 -0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.58 1jgt n LEU 212 Cb 0.46 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1jgt n LEU 212 CO 0.50 0.07 0.34 -0.94 -1.33 0.00 0.00 177.39 176.03 1jgt s SER 213 N -2.72 5.55 0.00 -1.43 1.04 -1.26 -5.11 113.70 109.76 1jgt s SER 213 Ca 0.00 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.64 1jgt s SER 213 Cb 0.08 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 1jgt s SER 213 CO 0.49 -0.93 -0.13 -0.13 0.98 0.00 0.00 173.24 173.52 1jgt s ARG 214 N -4.68 0.98 -0.16 4.02 1.81 -1.26 -4.61 118.95 115.04 1jgt s ARG 214 Ca 0.53 -0.52 0.02 0.00 -1.72 0.00 0.00 55.73 54.03 1jgt s ARG 214 Cb -0.10 -0.95 0.02 0.00 -0.45 0.00 0.00 34.95 33.46 1jgt s ARG 214 CO 0.38 0.25 -0.21 1.03 -0.68 0.00 0.00 175.30 176.08 1jgt s ARG 215 N -0.51 3.00 -0.07 3.54 1.81 0.66 -4.94 118.95 122.45 1jgt s ARG 215 Ca 0.04 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.91 1jgt s ARG 215 Cb -0.06 -2.52 -0.02 0.00 -0.45 0.00 0.00 34.95 31.91 1jgt s ARG 215 CO -0.00 -0.13 1.04 0.42 -0.68 0.00 0.00 175.30 175.95 1jgt s ILE 216 N 1.09 4.69 0.12 1.52 1.01 -1.26 -4.26 121.20 124.11 1jgt s ILE 216 Ca 0.00 1.96 0.07 0.00 0.00 0.00 0.00 60.65 62.68 1jgt s ILE 216 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1jgt s ILE 216 CO -0.08 0.04 -0.18 -0.76 0.00 0.00 0.00 174.94 173.96 1jgt s LEU 217 N 1.81 2.36 0.09 2.97 1.43 -1.26 -5.09 118.68 120.99 1jgt s LEU 217 Ca 0.51 -0.75 -0.34 0.00 -1.03 0.00 0.00 54.13 52.51 1jgt s LEU 217 Cb -0.20 -0.74 -0.13 0.00 0.03 0.00 0.00 46.19 45.15 1jgt s LEU 217 CO 0.21 -0.03 1.66 -2.65 0.23 0.00 0.00 176.35 175.77 1jgt n PRO 218 N 0.77 2.15 -0.10 1.29 -0.02 -1.26 -4.69 135.00 133.14 1jgt n PRO 218 Ca -0.17 0.78 -0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1jgt n PRO 218 Cb 0.55 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1jgt n PRO 218 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jgt n GLU 219 N 4.35 -0.10 -0.31 -0.52 4.07 -1.26 -0.58 120.64 126.28 1jgt n GLU 219 Ca 0.19 0.90 0.14 0.00 -0.06 0.00 0.00 57.16 58.33 1jgt n GLU 219 Cb 0.29 -1.34 0.32 0.00 -0.06 0.00 0.00 31.44 30.65 1jgt n GLU 219 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1jgt h GLY 220 N 0.00 1.62 0.95 8.31 0.00 -2.01 -0.61 103.07 111.33 1jgt h GLY 220 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1jgt h GLY 220 CO -0.22 -0.26 0.12 -2.09 0.00 0.00 0.00 176.54 174.09 1jgt h GLU 221 N 0.45 0.70 -0.46 4.80 4.81 -1.19 -2.57 114.58 121.11 1jgt h GLU 221 Ca 0.58 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1jgt h GLU 221 Cb 1.09 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1jgt h GLU 221 CO -0.51 0.69 0.26 0.00 -0.73 0.00 0.00 179.01 178.73 1jgt h ALA 222 N 0.97 0.58 -0.47 2.92 0.00 0.40 0.05 119.26 123.70 1jgt h ALA 222 Ca 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jgt h ALA 222 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jgt h ALA 222 CO -0.00 -0.06 0.16 0.28 0.00 0.00 0.00 179.25 179.63 1jgt h VAL 223 N 0.53 1.22 -0.19 0.00 2.07 -1.39 -1.81 116.25 116.68 1jgt h VAL 223 Ca 0.18 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1jgt h VAL 223 Cb 0.03 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1jgt h VAL 223 CO -0.09 0.26 -0.27 0.00 0.02 0.00 0.00 177.57 177.49 1jgt h ALA 224 N 1.01 1.18 -0.46 1.67 0.00 -1.24 -2.65 119.26 118.76 1jgt h ALA 224 Ca 0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1jgt h ALA 224 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jgt h ALA 224 CO -0.01 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.66 1jgt h ALA 225 N 1.39 0.92 -0.51 0.00 0.00 -0.63 -0.89 119.26 119.55 1jgt h ALA 225 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1jgt h ALA 225 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jgt h ALA 225 CO 0.05 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.16 1jgt h VAL 226 N 0.76 1.27 -0.34 0.00 2.07 -1.13 -0.99 116.25 117.90 1jgt h VAL 226 Ca 0.12 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1jgt h VAL 226 Cb 0.62 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1jgt h VAL 226 CO 0.04 0.41 0.08 -0.09 0.02 0.00 0.00 177.57 178.03 1jgt h ARG 227 N 0.80 0.54 -0.26 1.57 9.65 -1.31 -0.84 114.38 124.53 1jgt h ARG 227 Ca 0.14 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1jgt h ARG 227 Cb 0.59 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1jgt h ARG 227 CO 0.04 0.59 0.16 0.00 2.80 0.00 0.00 179.97 183.56 1jgt h ALA 228 N 0.92 0.33 -0.55 2.80 0.00 -1.05 0.82 119.26 122.54 1jgt h ALA 228 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jgt h ALA 228 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jgt h ALA 228 CO 0.00 -0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.30 1jgt h ALA 229 N 1.06 0.72 -0.35 0.00 0.00 -1.10 -1.02 119.26 118.57 1jgt h ALA 229 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jgt h ALA 229 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jgt h ALA 229 CO -0.02 0.33 0.14 1.25 0.00 0.00 0.00 179.25 180.96 1jgt h LEU 230 N 0.75 0.48 -0.80 0.00 5.85 -0.90 -0.31 115.31 120.37 1jgt h LEU 230 Ca 0.18 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1jgt h LEU 230 Cb 0.21 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1jgt h LEU 230 CO -0.01 0.51 0.48 -0.33 -0.34 0.00 0.00 178.44 178.75 1jgt h GLU 231 N 0.41 0.86 -0.06 1.25 4.39 -0.57 -0.63 114.58 120.22 1jgt h GLU 231 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jgt h GLU 231 Cb 0.18 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1jgt h GLU 231 CO -0.01 0.57 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.18 1jgt h LYS 232 N 0.88 0.12 -0.90 2.33 3.64 -0.90 -1.63 116.57 120.11 1jgt h LYS 232 Ca 0.35 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1jgt h LYS 232 Cb 0.18 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1jgt h LYS 232 CO -0.18 0.43 0.59 0.00 -2.27 0.00 0.00 179.45 178.02 1jgt h ALA 233 N 0.68 1.45 -0.16 5.00 0.00 -0.72 -0.89 119.26 124.62 1jgt h ALA 233 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1jgt h ALA 233 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jgt h ALA 233 CO 0.01 0.46 -0.26 0.28 0.00 0.00 0.00 179.25 179.73 1jgt h VAL 234 N 1.11 1.35 -0.99 0.00 2.07 -1.09 -2.94 116.25 115.77 1jgt h VAL 234 Ca 0.36 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1jgt h VAL 234 Cb 0.05 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1jgt h VAL 234 CO -0.11 0.45 0.64 0.00 0.02 0.00 0.00 177.57 178.57 1jgt h ALA 235 N 0.58 1.40 0.00 1.67 0.00 -0.85 -0.35 119.26 121.71 1jgt h ALA 235 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jgt h ALA 235 Cb 0.84 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jgt h ALA 235 CO 0.06 0.46 -0.17 1.96 0.00 0.00 0.00 179.25 181.56 1jgt h GLN 236 N 1.18 0.00 -0.01 0.00 4.20 -1.14 -2.75 115.11 116.59 1jgt h GLN 236 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1jgt h GLN 236 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1jgt h GLN 236 CO -0.16 0.17 -0.26 0.54 -0.67 0.00 0.00 178.83 178.46 1jgt n ARG 237 N -3.93 0.98 -3.96 1.46 1.74 -0.19 -4.85 116.66 107.92 1jgt n ARG 237 Ca -0.02 -0.62 -0.35 0.00 -0.77 0.00 0.00 57.85 56.09 1jgt n ARG 237 Cb 0.26 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 1jgt n ARG 237 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jgt s VAL 238 N -2.45 4.83 -0.05 1.55 1.01 -0.91 -5.03 120.40 119.37 1jgt s VAL 238 Ca 0.25 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1jgt s VAL 238 Cb 0.19 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1jgt s VAL 238 CO 0.51 0.45 0.98 -0.89 0.00 0.00 0.00 175.10 176.14 1jgt s THR 239 N 0.48 4.84 0.11 3.92 2.01 -1.26 -4.96 115.64 120.78 1jgt s THR 239 Ca 0.04 2.03 -0.31 0.00 0.31 0.00 0.00 61.69 63.76 1jgt s THR 239 Cb -0.12 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 1jgt s THR 239 CO 0.00 0.10 1.69 -2.16 -0.69 0.00 0.00 174.62 173.56 1jgt s PRO 240 N 1.42 4.18 0.00 4.92 0.04 -1.26 -1.46 135.00 142.84 1jgt s PRO 240 Ca 0.50 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1jgt s PRO 240 Cb -0.20 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1jgt s PRO 240 CO 0.23 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1jgt n GLY 241 N 4.01 0.16 3.12 0.56 0.00 -1.26 -4.57 105.19 107.20 1jgt n GLY 241 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1jgt n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgt s ASP 242 N -2.18 2.52 -0.22 1.61 2.15 -0.54 -4.88 116.67 115.13 1jgt s ASP 242 Ca 0.00 -0.45 -0.26 0.00 0.43 0.00 0.00 52.55 52.28 1jgt s ASP 242 Cb 0.00 -1.15 -0.00 0.00 -0.30 0.00 0.00 42.92 41.46 1jgt s ASP 242 CO 0.00 0.09 0.87 -0.89 -0.17 0.00 0.00 175.17 175.07 1jgt s THR 243 N 0.59 4.82 0.75 1.71 2.01 -1.26 -4.47 115.64 119.79 1jgt s THR 243 Ca -0.15 1.67 -0.10 0.00 0.31 0.00 0.00 61.69 63.43 1jgt s THR 243 Cb -0.17 -4.16 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1jgt s THR 243 CO 0.05 -0.07 1.10 -2.16 -0.69 0.00 0.00 174.62 172.85 1jgt s PRO 244 N 2.73 2.22 -0.13 4.92 0.04 -1.26 -4.86 135.00 138.65 1jgt s PRO 244 Ca 0.37 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.44 1jgt s PRO 244 Cb -0.16 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1jgt s PRO 244 CO 0.08 -1.35 -0.09 -1.17 0.04 0.00 0.00 177.00 174.51 1jgt s LEU 245 N -5.41 2.93 -0.16 -3.56 2.96 -0.78 -2.29 118.68 112.38 1jgt s LEU 245 Ca 0.60 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1jgt s LEU 245 Cb -0.11 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1jgt s LEU 245 CO 0.48 0.18 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.89 1jgt s VAL 246 N 0.26 3.01 -0.31 1.68 1.01 -0.45 -0.61 120.40 124.98 1jgt s VAL 246 Ca -0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1jgt s VAL 246 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1jgt s VAL 246 CO 0.04 0.50 1.23 0.68 0.00 0.00 0.00 175.10 177.55 1jgt s VAL 247 N 0.78 4.25 -0.11 2.92 -7.23 -0.91 -2.29 120.40 117.83 1jgt s VAL 247 Ca -0.04 1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 61.53 1jgt s VAL 247 Cb -0.15 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.51 1jgt s VAL 247 CO 0.01 -0.49 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.04 1jgt s LEU 248 N 4.15 3.27 0.00 1.32 2.96 0.82 -4.55 118.68 126.65 1jgt s LEU 248 Ca 0.53 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1jgt s LEU 248 Cb -0.15 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1jgt s LEU 248 CO 0.21 0.28 0.01 -0.24 -1.32 0.00 0.00 176.35 175.30 1jgt n SER 249 N 2.76 1.95 0.00 3.68 2.88 -1.26 -4.25 113.62 119.37 1jgt n SER 249 Ca -0.18 -1.27 0.12 0.00 -1.33 0.00 0.00 58.87 56.21 1jgt n SER 249 Cb 0.53 0.03 0.33 0.00 -0.75 0.00 0.00 64.21 64.35 1jgt n SER 249 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jgt n GLY 250 N 4.21 -1.31 3.83 0.46 0.00 -1.26 -4.36 105.19 106.76 1jgt n GLY 250 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1jgt n GLY 250 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jgt s GLY 251 N -3.03 1.61 0.32 -0.02 0.00 -1.26 -4.82 107.32 100.12 1jgt s GLY 251 Ca 0.11 -0.33 0.06 0.00 0.00 0.00 0.00 44.72 44.56 1jgt s GLY 251 CO 0.66 0.10 1.79 1.19 0.00 0.00 0.00 173.10 176.85 1jgt h ILE 252 N -1.03 1.24 0.36 0.90 6.09 -1.91 -2.58 117.51 120.59 1jgt h ILE 252 Ca -0.47 -1.13 -0.01 0.00 -1.37 0.00 0.00 64.86 61.88 1jgt h ILE 252 Cb 1.28 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 1jgt h ILE 252 CO 0.62 0.35 -0.29 0.44 -3.07 0.00 0.00 178.15 176.19 1jgt h ASP 253 N 0.33 -0.78 0.23 2.19 3.45 -1.94 0.17 116.42 120.07 1jgt h ASP 253 Ca 0.05 0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.48 1jgt h ASP 253 Cb 0.57 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 1jgt h ASP 253 CO 0.04 -0.41 -0.37 0.77 -1.57 0.00 0.00 179.24 177.70 1jgt h SER 254 N -0.63 0.20 -0.63 6.45 4.64 -1.79 -2.74 113.55 119.05 1jgt h SER 254 Ca -0.05 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1jgt h SER 254 Cb 0.53 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1jgt h SER 254 CO -0.00 0.56 0.22 0.28 -0.87 0.00 0.00 176.83 177.02 1jgt h SER 255 N 0.17 0.89 -0.57 4.97 0.02 -1.35 -1.20 113.55 116.48 1jgt h SER 255 Ca 0.02 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1jgt h SER 255 Cb 0.73 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1jgt h SER 255 CO 0.06 0.84 0.27 1.23 -1.14 0.00 0.00 176.83 178.09 1jgt h GLY 256 N 0.89 0.88 1.08 -3.77 0.00 -0.40 -1.56 103.07 100.18 1jgt h GLY 256 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1jgt h GLY 256 CO -0.01 0.41 0.25 -2.08 0.00 0.00 0.00 176.54 175.12 1jgt h VAL 257 N 0.77 1.26 -0.61 4.60 2.07 -1.23 -2.25 116.25 120.86 1jgt h VAL 257 Ca 0.19 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1jgt h VAL 257 Cb 0.12 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1jgt h VAL 257 CO -0.02 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.22 1jgt h ALA 258 N 1.16 0.78 -0.66 1.67 0.00 -0.86 0.16 119.26 121.51 1jgt h ALA 258 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jgt h ALA 258 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jgt h ALA 258 CO -0.01 0.33 0.34 0.00 0.00 0.00 0.00 179.25 179.91 1jgt h ALA 259 N 1.14 0.85 -0.34 0.00 0.00 -1.07 -0.55 119.26 119.29 1jgt h ALA 259 Ca 0.21 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jgt h ALA 259 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jgt h ALA 259 CO -0.03 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.38 1jgt h ALA 261 N 0.76 1.05 -0.66 0.00 0.00 -0.43 -1.40 119.26 118.59 1jgt h ALA 261 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1jgt h ALA 261 Cb 0.79 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1jgt h ALA 261 CO 0.06 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.32 1jgt h HIS 262 N 0.96 1.11 -0.65 0.00 6.17 -1.11 0.38 115.15 122.01 1jgt h HIS 262 Ca 0.20 -0.14 -0.09 0.00 0.71 0.00 0.00 60.37 61.06 1jgt h HIS 262 Cb 0.35 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.95 1jgt h HIS 262 CO 0.02 0.92 0.07 -0.09 0.71 0.00 0.00 177.93 179.57 1jgt h ARG 263 N 1.00 1.10 -0.19 5.26 2.43 -1.26 0.19 114.38 122.90 1jgt h ARG 263 Ca 0.20 -0.31 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 1jgt h ARG 263 Cb 0.39 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1jgt h ARG 263 CO 0.01 1.03 -0.59 0.00 -1.51 0.00 0.00 179.97 178.90 1jgt h ALA 264 N 1.03 0.61 0.00 2.80 0.00 -0.83 -3.32 119.26 119.55 1jgt h ALA 264 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jgt h ALA 264 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jgt h ALA 264 CO 0.02 0.70 -1.24 0.00 0.00 0.00 0.00 179.25 178.73 1jgt n ALA 265 N -2.54 3.79 0.00 0.00 0.00 0.09 -4.96 120.51 116.89 1jgt n ALA 265 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1jgt n ALA 265 Cb 0.63 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1jgt n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 266 N 1.40 2.78 3.78 0.00 0.00 0.65 -4.91 105.19 108.89 1jgt n GLY 266 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1jgt n GLY 266 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jgt s GLU 267 N -0.25 1.69 0.02 1.61 -1.05 -1.22 -4.98 118.70 114.53 1jgt s GLU 267 Ca 0.00 -0.89 -0.22 0.00 -0.15 0.00 0.00 54.97 53.71 1jgt s GLU 267 Cb 0.00 0.60 0.05 0.00 -0.44 0.00 0.00 34.13 34.34 1jgt s GLU 267 CO 0.00 -0.77 0.50 -1.17 0.95 0.00 0.00 175.26 174.77 1jgt s LEU 268 N -2.89 0.04 0.00 1.83 2.96 -1.26 -4.55 118.68 114.80 1jgt s LEU 268 Ca 0.09 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1jgt s LEU 268 Cb -0.05 2.01 -0.03 0.00 0.50 0.00 0.00 46.19 48.62 1jgt s LEU 268 CO 0.04 -0.66 -0.15 -1.81 -1.32 0.00 0.00 176.35 172.45 1jgt s ASP 269 N -1.78 4.02 0.04 3.68 -0.00 -0.97 -1.72 116.67 119.94 1jgt s ASP 269 Ca -0.07 -0.29 0.01 0.00 -0.00 0.00 0.00 52.55 52.19 1jgt s ASP 269 Cb -0.01 -0.78 -0.03 0.00 -0.00 0.00 0.00 42.92 42.11 1jgt s ASP 269 CO 0.01 0.29 -0.05 0.42 -0.00 0.00 0.00 175.17 175.84 1jgt s THR 270 N -0.87 0.31 -0.05 -1.27 -4.23 -0.12 -1.34 115.64 108.07 1jgt s THR 270 Ca 0.14 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.42 1jgt s THR 270 Cb -0.11 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1jgt s THR 270 CO 0.04 -0.55 0.17 0.54 -0.54 0.00 0.00 174.62 174.28 1jgt s VAL 271 N -1.91 0.02 0.02 2.29 0.11 -0.97 -1.53 120.40 118.43 1jgt s VAL 271 Ca -0.09 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1jgt s VAL 271 Cb -0.07 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1jgt s VAL 271 CO -0.02 -0.09 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.11 1jgt s SER 272 N -0.27 1.26 0.06 3.54 0.01 -0.50 -0.13 113.70 117.66 1jgt s SER 272 Ca -0.04 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 56.94 1jgt s SER 272 Cb -0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1jgt s SER 272 CO 0.01 0.02 -0.16 -0.32 0.41 0.00 0.00 173.24 173.19 1jgt s MET 273 N -0.85 2.07 0.18 12.44 1.75 -1.26 -0.40 119.30 133.23 1jgt s MET 273 Ca 0.00 -0.99 -0.06 0.00 -1.25 0.00 0.00 55.69 53.39 1jgt s MET 273 Cb -0.06 -2.22 -0.02 0.00 2.84 0.00 0.00 34.83 35.37 1jgt s MET 273 CO 0.00 0.53 0.24 0.20 -0.65 0.00 0.00 175.02 175.34 1jgt s GLY 274 N -1.62 0.86 0.50 2.11 0.00 0.25 -4.71 107.32 104.72 1jgt s GLY 274 Ca 0.16 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1jgt s GLY 274 CO 0.07 -1.05 0.04 -0.51 0.00 0.00 0.00 173.10 171.65 1jgt s THR 275 N -4.05 1.31 -2.00 0.90 -4.23 -0.37 -0.27 115.64 106.94 1jgt s THR 275 Ca 0.26 -1.95 0.21 0.00 -1.18 0.00 0.00 61.69 59.02 1jgt s THR 275 Cb 0.04 -2.26 0.58 0.00 1.34 0.00 0.00 72.50 72.21 1jgt s THR 275 CO 0.06 0.00 1.63 -0.90 -0.54 0.00 0.00 174.62 174.86 1jgt n ASP 276 N -1.28 0.00 -0.04 3.99 5.75 -1.21 -3.46 116.55 120.31 1jgt n ASP 276 Ca -0.16 -0.75 -0.05 0.00 -0.01 0.00 0.00 54.79 53.81 1jgt n ASP 276 Cb 0.67 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 1jgt n ASP 276 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jgt n THR 277 N -0.96 0.43 -3.73 2.12 -2.24 -1.26 -5.03 114.28 103.61 1jgt n THR 277 Ca 0.15 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1jgt n THR 277 Cb 0.07 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1jgt n THR 277 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jgt s SER 278 N -4.81 -0.11 0.08 3.42 1.04 -1.22 -5.17 113.70 106.92 1jgt s SER 278 Ca -0.10 -0.35 -0.27 0.00 0.48 0.00 0.00 55.95 55.72 1jgt s SER 278 Cb 0.03 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.63 1jgt s SER 278 CO 0.17 -0.73 0.88 0.54 0.98 0.00 0.00 173.24 175.08 1jgt s ASN 279 N -2.54 -0.31 -0.26 7.02 2.20 -1.26 -1.24 114.94 118.54 1jgt s ASN 279 Ca 0.01 -0.17 0.09 0.00 -0.94 0.00 0.00 52.86 51.85 1jgt s ASN 279 Cb 0.02 0.45 0.45 0.00 -2.00 0.00 0.00 41.25 40.17 1jgt s ASN 279 CO -0.08 -0.78 1.19 -0.62 -2.94 0.00 0.00 177.10 173.87 1jgt n GLU 280 N -0.35 2.95 -0.22 3.55 1.02 -1.26 -4.83 120.64 121.50 1jgt n GLU 280 Ca -0.08 -3.88 -0.04 0.00 -0.02 0.00 0.00 57.16 53.13 1jgt n GLU 280 Cb 0.62 -2.04 0.07 0.00 -0.02 0.00 0.00 31.44 30.06 1jgt n GLU 280 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1jgt h PHE 281 N 1.90 0.72 -0.52 -0.32 0.05 -1.96 -1.50 116.94 115.31 1jgt h PHE 281 Ca 0.24 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 62.00 1jgt h PHE 281 Cb 1.40 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 39.10 1jgt h PHE 281 CO 0.79 0.40 0.14 -0.09 -0.18 0.00 0.00 178.31 179.37 1jgt h ARG 282 N 0.75 0.82 -0.29 1.51 2.43 -2.00 -1.41 114.38 116.19 1jgt h ARG 282 Ca 0.26 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1jgt h ARG 282 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1jgt h ARG 282 CO -0.11 0.78 0.15 0.93 -1.51 0.00 0.00 179.97 180.20 1jgt h GLU 283 N 0.71 0.42 -0.62 0.20 3.07 -1.88 -2.92 114.58 113.56 1jgt h GLU 283 Ca 0.16 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1jgt h GLU 283 Cb 0.32 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1jgt h GLU 283 CO -0.00 0.39 0.14 0.00 -1.40 0.00 0.00 179.01 178.13 1jgt h ALA 284 N 1.01 1.08 -0.34 3.43 0.00 -1.17 -2.72 119.26 120.55 1jgt h ALA 284 Ca 0.10 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1jgt h ALA 284 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jgt h ALA 284 CO -0.01 0.61 0.24 0.00 0.00 0.00 0.00 179.25 180.08 1jgt h ARG 285 N 0.93 0.12 -0.91 0.00 3.08 -1.07 0.77 114.38 117.29 1jgt h ARG 285 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1jgt h ARG 285 Cb 0.35 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1jgt h ARG 285 CO 0.00 0.08 0.54 0.00 -1.07 0.00 0.00 179.97 179.52 1jgt h ALA 286 N 1.83 1.24 0.11 0.04 0.00 -1.38 0.14 119.26 121.24 1jgt h ALA 286 Ca 0.16 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1jgt h ALA 286 Cb 0.47 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jgt h ALA 286 CO -0.02 0.65 -1.21 0.28 0.00 0.00 0.00 179.25 178.95 1jgt h VAL 287 N 1.26 1.37 -0.21 0.00 2.07 -1.11 -2.20 116.25 117.43 1jgt h VAL 287 Ca 0.33 -2.66 0.03 0.00 0.82 0.00 0.00 66.70 65.21 1jgt h VAL 287 Cb -0.04 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1jgt h VAL 287 CO -0.06 0.79 0.05 0.58 0.02 0.00 0.00 177.57 178.95 1jgt h VAL 288 N 0.19 0.91 -0.42 2.57 2.07 -0.50 -0.52 116.25 120.55 1jgt h VAL 288 Ca -0.16 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1jgt h VAL 288 Cb 1.89 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1jgt h VAL 288 CO 0.22 0.02 -0.26 0.44 0.02 0.00 0.00 177.57 178.02 1jgt h ASP 289 N 0.13 0.91 -0.81 0.57 3.32 -0.79 0.70 116.42 120.44 1jgt h ASP 289 Ca 0.09 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1jgt h ASP 289 Cb 0.08 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1jgt h ASP 289 CO -0.12 1.11 0.53 -0.74 -1.72 0.00 0.00 179.24 178.31 1jgt h HIS 290 N 0.76 1.03 0.00 4.55 2.76 -1.04 -2.90 115.15 120.30 1jgt h HIS 290 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1jgt h HIS 290 Cb 0.81 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1jgt h HIS 290 CO 0.05 0.65 -1.04 1.28 -1.30 0.00 0.00 177.93 177.57 1jgt n LEU 291 N -4.51 0.61 -3.12 0.26 4.77 -0.23 -5.00 117.00 109.77 1jgt n LEU 291 Ca 0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1jgt n LEU 291 Cb 0.02 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1jgt n LEU 291 CO 0.36 0.03 0.05 0.54 -1.33 0.00 0.00 177.39 177.04 1jgt n ARG 292 N -2.01 -3.33 -3.26 3.23 5.12 0.24 -4.94 116.66 111.71 1jgt n ARG 292 Ca 0.02 0.78 -0.22 0.00 -1.93 0.00 0.00 57.85 56.50 1jgt n ARG 292 Cb 0.45 -5.46 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 1jgt n ARG 292 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jgt s THR 293 N -3.34 4.30 -0.50 0.55 -4.23 -0.85 -4.79 115.64 106.77 1jgt s THR 293 Ca 0.28 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.89 1jgt s THR 293 Cb -0.04 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1jgt s THR 293 CO 0.67 -0.32 0.84 -0.60 -0.54 0.00 0.00 174.62 174.66 1jgt s ARG 294 N -4.36 3.34 0.07 3.99 3.52 -0.70 -4.93 118.95 119.87 1jgt s ARG 294 Ca 0.45 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1jgt s ARG 294 Cb -0.10 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.24 1jgt s ARG 294 CO 0.35 -1.30 -0.00 -1.58 -0.81 0.00 0.00 175.30 171.96 1jgt s HIS 295 N 3.51 3.00 -0.02 5.12 2.46 -1.26 -0.95 115.29 127.15 1jgt s HIS 295 Ca 0.28 -0.01 0.02 0.00 0.47 0.00 0.00 55.06 55.83 1jgt s HIS 295 Cb -0.13 -1.56 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 1jgt s HIS 295 CO 0.20 0.47 -0.08 0.50 -2.47 0.00 0.00 174.74 173.36 1jgt s ARG 296 N -2.13 0.86 -0.12 2.88 3.52 -0.58 -4.98 118.95 118.40 1jgt s ARG 296 Ca 0.24 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1jgt s ARG 296 Cb -0.12 -0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 1jgt s ARG 296 CO 0.16 0.10 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.46 1jgt s GLU 297 N 0.21 3.34 -0.13 5.12 2.02 -1.26 -1.41 118.70 126.59 1jgt s GLU 297 Ca -0.03 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1jgt s GLU 297 Cb -0.08 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.43 1jgt s GLU 297 CO 0.00 0.34 -0.15 0.42 0.02 0.00 0.00 175.26 175.89 1jgt s ILE 298 N 0.07 1.60 -0.14 -1.63 1.01 0.46 -4.97 121.20 117.59 1jgt s ILE 298 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1jgt s ILE 298 Cb -0.14 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1jgt s ILE 298 CO 0.03 0.46 -0.09 -0.89 0.00 0.00 0.00 174.94 174.45 1jgt s THR 299 N 1.23 3.38 -0.03 2.92 2.01 -1.26 0.88 115.64 124.77 1jgt s THR 299 Ca -0.01 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1jgt s THR 299 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1jgt s THR 299 CO -0.06 0.51 -0.10 0.27 -0.69 0.00 0.00 174.62 174.55 1jgt s ILE 300 N 0.35 0.89 0.64 1.82 -4.36 0.63 -4.94 121.20 116.24 1jgt s ILE 300 Ca -0.08 -0.41 -0.18 0.00 -0.26 0.00 0.00 60.65 59.72 1jgt s ILE 300 Cb -0.15 -0.80 -0.03 0.00 1.25 0.00 0.00 42.46 42.73 1jgt s ILE 300 CO 0.05 0.28 1.06 -2.65 0.24 0.00 0.00 174.94 173.92 1jgt n PRO 301 N 3.35 0.88 0.11 0.37 -0.02 -1.26 -3.29 135.00 135.14 1jgt n PRO 301 Ca -0.19 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1jgt n PRO 301 Cb 0.54 -2.29 0.56 0.00 -0.02 0.00 0.00 33.50 32.29 1jgt n PRO 301 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jgt h THR 302 N 0.35 0.99 0.00 3.45 2.02 -1.95 -0.21 112.91 117.56 1jgt h THR 302 Ca -0.49 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1jgt h THR 302 Cb 1.35 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1jgt h THR 302 CO 0.51 0.04 -0.26 0.71 0.37 0.00 0.00 175.52 176.89 1jgt h THR 303 N 0.22 1.10 0.12 3.16 1.35 -1.99 -1.38 112.91 115.50 1jgt h THR 303 Ca 0.11 -0.91 -0.27 0.00 -0.55 0.00 0.00 66.41 64.79 1jgt h THR 303 Cb 0.17 1.50 0.03 0.00 -1.73 0.00 0.00 68.15 68.12 1jgt h THR 303 CO -0.02 0.25 -1.12 -0.33 -0.25 0.00 0.00 175.52 174.06 1jgt h GLU 304 N 0.00 0.54 -0.32 4.72 4.39 -1.39 -2.43 114.58 120.09 1jgt h GLU 304 Ca -0.00 -0.74 0.02 0.00 0.34 0.00 0.00 59.36 58.97 1jgt h GLU 304 Cb 0.48 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1jgt h GLU 304 CO 0.03 1.33 0.17 1.25 -1.16 0.00 0.00 179.01 180.63 1jgt h LEU 305 N 0.11 0.25 -1.42 1.33 5.85 -1.10 -1.62 115.31 118.70 1jgt h LEU 305 Ca -0.17 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1jgt h LEU 305 Cb 1.82 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1jgt h LEU 305 CO 0.21 0.19 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.31 1jgt h LEU 306 N 0.34 0.00 -0.79 2.25 3.38 -1.34 -1.78 115.31 117.38 1jgt h LEU 306 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jgt h LEU 306 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jgt h LEU 306 CO -0.08 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1jgt n ALA 307 N -2.18 1.59 1.31 1.53 0.00 -0.62 -1.85 120.51 120.29 1jgt n ALA 307 Ca -0.00 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.68 1jgt n ALA 307 Cb 0.34 -1.38 0.71 0.00 0.00 0.00 0.00 19.45 19.13 1jgt n ALA 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jgt n GLN 308 N -2.24 0.34 -0.13 0.00 1.13 -0.67 -4.25 117.38 111.56 1jgt n GLN 308 Ca 0.02 0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.00 1jgt n GLN 308 Cb 0.21 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.02 1jgt n GLN 308 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jgt h LEU 309 N 0.00 -1.34 -1.24 1.08 3.38 -1.54 0.77 115.31 116.43 1jgt h LEU 309 Ca 0.00 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1jgt h LEU 309 Cb 0.31 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1jgt h LEU 309 CO 0.00 -0.36 -0.20 1.55 0.09 0.00 0.00 178.44 179.53 1jgt h PRO 310 N -0.30 0.28 -0.43 1.13 0.13 -1.85 -2.48 132.00 128.47 1jgt h PRO 310 Ca 0.15 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1jgt h PRO 310 Cb 0.57 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1jgt h PRO 310 CO -0.57 0.47 -0.03 1.88 -0.23 0.00 0.00 178.00 179.52 1jgt h TYR 311 N 0.26 0.85 -0.62 1.56 -1.99 -1.58 -0.60 116.97 114.85 1jgt h TYR 311 Ca 0.05 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 1jgt h TYR 311 Cb 0.50 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1jgt h TYR 311 CO 0.01 0.86 0.20 0.00 -0.00 0.00 0.00 178.16 179.23 1jgt h ALA 312 N 0.88 0.82 -0.27 3.88 0.00 -0.70 -0.15 119.26 123.71 1jgt h ALA 312 Ca 0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1jgt h ALA 312 Cb 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jgt h ALA 312 CO 0.03 0.48 -0.30 0.28 0.00 0.00 0.00 179.25 179.74 1jgt h VAL 313 N 0.89 1.31 -0.57 0.00 2.07 -1.41 -1.43 116.25 117.10 1jgt h VAL 313 Ca 0.20 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1jgt h VAL 313 Cb 0.28 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1jgt h VAL 313 CO -0.01 0.47 0.37 -0.25 0.02 0.00 0.00 177.57 178.17 1jgt h TRP 314 N 0.41 0.73 0.09 1.57 7.01 -0.96 0.35 115.95 125.15 1jgt h TRP 314 Ca 0.04 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1jgt h TRP 314 Cb 0.87 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1jgt h TRP 314 CO 0.07 0.48 -0.04 0.00 -2.79 0.00 0.00 178.44 176.16 1jgt h ALA 315 N 1.19 -0.12 0.00 2.65 0.00 -1.02 -3.33 119.26 118.64 1jgt h ALA 315 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jgt h ALA 315 Cb -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jgt h ALA 315 CO -0.04 -0.23 -0.10 0.66 0.00 0.00 0.00 179.25 179.55 1jgt h SER 316 N -0.80 0.00 -3.57 0.00 4.64 -1.31 -3.43 113.55 109.08 1jgt h SER 316 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 1jgt h SER 316 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1jgt h SER 316 CO 0.02 0.10 -0.43 -0.62 -0.87 0.00 0.00 176.83 175.03 1jgt n GLU 317 N -3.14 -2.15 -4.12 4.77 1.02 0.12 -4.78 120.64 112.37 1jgt n GLU 317 Ca 0.03 0.78 -0.33 0.00 -0.02 0.00 0.00 57.16 57.62 1jgt n GLU 317 Cb 0.51 -5.42 -0.07 0.00 -0.02 0.00 0.00 31.44 26.44 1jgt n GLU 317 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jgt s SER 318 N -2.09 5.59 0.00 1.62 0.15 -1.25 -5.02 113.70 112.70 1jgt s SER 318 Ca 0.02 0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.86 1jgt s SER 318 Cb -0.01 -1.57 0.22 0.00 -1.71 0.00 0.00 66.02 62.95 1jgt s SER 318 CO 0.03 0.26 1.16 1.33 1.20 0.00 0.00 173.24 177.22 1jgt n VAL 319 N 1.11 0.93 -2.88 4.45 0.24 -1.26 -4.79 118.33 116.13 1jgt n VAL 319 Ca -0.13 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.34 60.79 1jgt n VAL 319 Cb 0.53 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.40 1jgt n VAL 319 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jgt s ASP 320 N -0.98 6.61 0.32 -1.34 -1.08 -1.26 -4.72 116.67 114.22 1jgt s ASP 320 Ca 0.17 0.44 0.02 0.00 -0.52 0.00 0.00 52.55 52.66 1jgt s ASP 320 Cb 0.09 -2.43 0.60 0.00 -1.46 0.00 0.00 42.92 39.72 1jgt s ASP 320 CO 0.12 -0.81 1.94 1.55 0.52 0.00 0.00 175.17 178.49 1jgt h PRO 321 N 8.52 0.90 -0.53 4.34 0.13 -1.91 -1.22 132.00 142.23 1jgt h PRO 321 Ca -0.24 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1jgt h PRO 321 Cb 1.09 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1jgt h PRO 321 CO 0.95 0.60 0.29 -0.44 -0.23 0.00 0.00 178.00 179.17 1jgt h ASP 322 N 0.93 0.66 -0.19 1.44 3.32 -1.97 -1.80 116.42 118.80 1jgt h ASP 322 Ca 0.35 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1jgt h ASP 322 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1jgt h ASP 322 CO -0.12 0.56 0.03 0.40 -1.72 0.00 0.00 179.24 178.40 1jgt h ILE 323 N 0.71 1.22 -0.89 0.35 1.08 -1.85 -2.77 117.51 115.36 1jgt h ILE 323 Ca 0.19 -0.72 0.14 0.00 -0.39 0.00 0.00 64.86 64.07 1jgt h ILE 323 Cb 0.05 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 1jgt h ILE 323 CO -0.03 0.22 0.57 0.40 -0.69 0.00 0.00 178.15 178.63 1jgt h ILE 324 N 0.12 0.85 -0.55 -0.67 1.08 -1.04 -1.30 117.51 116.00 1jgt h ILE 324 Ca 0.06 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1jgt h ILE 324 Cb 0.30 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1jgt h ILE 324 CO 0.00 0.13 0.15 -0.33 -0.69 0.00 0.00 178.15 177.42 1jgt h GLU 325 N 0.72 0.87 -0.08 2.37 5.08 -1.07 -1.35 114.58 121.13 1jgt h GLU 325 Ca 0.44 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1jgt h GLU 325 Cb 0.67 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jgt h GLU 325 CO -0.20 0.81 -0.17 1.88 -1.00 0.00 0.00 179.01 180.32 1jgt h TYR 326 N 0.78 0.13 0.00 4.33 0.99 -1.02 -2.96 116.97 119.21 1jgt h TYR 326 Ca 0.18 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 1jgt h TYR 326 Cb 0.32 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 38.01 1jgt h TYR 326 CO 0.02 0.30 -0.38 -0.07 -0.00 0.00 0.00 178.16 178.03 1jgt h LEU 327 N 0.12 0.00 -0.21 3.88 3.38 -0.84 -3.37 115.31 118.27 1jgt h LEU 327 Ca 0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jgt h LEU 327 Cb 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1jgt h LEU 327 CO 0.02 0.09 -0.11 -0.07 0.09 0.00 0.00 178.44 178.46 1jgt h LEU 328 N 0.00 -0.37 -0.61 1.67 3.38 -1.08 0.22 115.31 118.52 1jgt h LEU 328 Ca -0.01 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jgt h LEU 328 Cb 1.07 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1jgt h LEU 328 CO 0.01 -0.14 0.38 -0.65 0.09 0.00 0.00 178.44 178.13 1jgt h PRO 329 N -0.09 0.73 -0.30 1.13 0.11 -1.74 -1.48 132.00 130.35 1jgt h PRO 329 Ca 0.12 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1jgt h PRO 329 Cb 0.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1jgt h PRO 329 CO -0.27 0.49 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.82 1jgt h LEU 330 N 0.76 0.63 -0.80 2.35 3.38 -1.63 -1.04 115.31 118.95 1jgt h LEU 330 Ca 0.24 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1jgt h LEU 330 Cb 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1jgt h LEU 330 CO -0.09 0.88 0.49 0.74 0.09 0.00 0.00 178.44 180.55 1jgt h THR 331 N 0.37 1.03 -0.51 0.22 2.02 -0.36 0.40 112.91 116.09 1jgt h THR 331 Ca 0.07 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1jgt h THR 331 Cb 0.63 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1jgt h THR 331 CO 0.04 0.16 -0.07 0.00 0.37 0.00 0.00 175.52 176.02 1jgt h ALA 332 N 1.38 0.69 -0.03 6.16 0.00 -1.12 -2.50 119.26 123.84 1jgt h ALA 332 Ca 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jgt h ALA 332 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jgt h ALA 332 CO -0.17 0.57 0.01 1.25 0.00 0.00 0.00 179.25 180.91 1jgt h LEU 333 N 0.80 0.04 -1.33 0.00 6.46 -0.27 -1.34 115.31 119.68 1jgt h LEU 333 Ca 0.13 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1jgt h LEU 333 Cb 0.62 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1jgt h LEU 333 CO 0.04 0.19 0.40 1.88 -0.62 0.00 0.00 178.44 180.32 1jgt h TYR 334 N -0.11 0.82 0.00 1.25 0.05 -0.93 -2.03 116.97 116.01 1jgt h TYR 334 Ca 0.01 0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 1jgt h TYR 334 Cb 0.16 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1jgt h TYR 334 CO -0.02 0.53 -0.59 0.00 -1.05 0.00 0.00 178.16 177.03 1jgt h ARG 335 N 0.87 0.00 0.00 4.88 3.08 -1.31 -3.21 114.38 118.68 1jgt h ARG 335 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1jgt h ARG 335 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jgt h ARG 335 CO -0.05 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 1jgt h ALA 336 N 1.41 1.00 -2.53 0.04 0.00 -0.55 -3.46 119.26 115.16 1jgt h ALA 336 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1jgt h ALA 336 Cb 1.24 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.13 1jgt h ALA 336 CO 0.08 0.00 0.52 1.28 0.00 0.00 0.00 179.25 181.13 1jgt n LEU 337 N -2.97 3.55 -4.49 0.00 4.77 -0.90 -5.00 117.00 111.96 1jgt n LEU 337 Ca 0.04 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.91 1jgt n LEU 337 Cb 0.51 -1.48 -0.12 0.00 -2.33 0.00 0.00 43.42 39.99 1jgt n LEU 337 CO 0.33 -0.47 -0.46 -1.81 -1.33 0.00 0.00 177.39 173.66 1jgt s ASP 338 N -0.27 4.05 0.00 -1.43 1.11 -1.26 -5.05 116.67 113.82 1jgt s ASP 338 Ca 0.56 -0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.00 1jgt s ASP 338 Cb -0.57 -0.79 0.00 0.00 1.07 0.00 0.00 42.92 42.63 1jgt s ASP 338 CO 0.62 0.29 0.00 0.61 1.18 0.00 0.00 175.17 177.87 1jgt n GLY 339 N 1.81 -1.01 3.68 0.21 0.00 -1.26 -5.04 105.19 103.58 1jgt n GLY 339 Ca -0.16 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.43 1jgt n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgt s PRO 340 N 0.00 1.07 0.18 1.61 0.04 -1.26 -4.94 135.00 131.70 1jgt s PRO 340 Ca 0.00 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.26 1jgt s PRO 340 Cb 0.00 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1jgt s PRO 340 CO 0.00 -2.59 1.44 -1.21 0.04 0.00 0.00 177.00 174.69 1jgt s GLU 341 N -4.66 4.28 0.23 4.56 0.41 -1.26 -5.00 118.70 117.26 1jgt s GLU 341 Ca 0.66 2.22 0.09 0.00 -0.41 0.00 0.00 54.97 57.53 1jgt s GLU 341 Cb -0.22 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 28.91 1jgt s GLU 341 CO 0.58 -0.45 0.01 1.03 -0.49 0.00 0.00 175.26 175.93 1jgt s ARG 342 N 0.51 2.37 -0.35 1.61 1.81 -1.26 -4.99 118.95 118.64 1jgt s ARG 342 Ca 0.63 -1.29 -0.15 0.00 -1.72 0.00 0.00 55.73 53.21 1jgt s ARG 342 Cb -0.40 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 31.84 1jgt s ARG 342 CO 0.35 0.40 0.35 0.50 -0.68 0.00 0.00 175.30 176.22 1jgt s ARG 343 N -3.43 3.46 -0.08 3.54 3.52 -1.26 -1.14 118.95 123.57 1jgt s ARG 343 Ca 0.30 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1jgt s ARG 343 Cb -0.08 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1jgt s ARG 343 CO 0.20 -0.56 -0.08 0.42 -0.81 0.00 0.00 175.30 174.46 1jgt s ILE 344 N 1.97 3.59 -0.04 4.11 1.01 0.14 -1.87 121.20 130.11 1jgt s ILE 344 Ca 0.11 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1jgt s ILE 344 Cb -0.17 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 1jgt s ILE 344 CO 0.12 0.58 -0.22 -0.76 0.00 0.00 0.00 174.94 174.66 1jgt s LEU 345 N -0.63 2.25 0.32 2.97 1.02 0.22 -1.04 118.68 123.79 1jgt s LEU 345 Ca 0.09 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 53.90 1jgt s LEU 345 Cb -0.11 -1.41 -0.06 0.00 0.02 0.00 0.00 46.19 44.62 1jgt s LEU 345 CO 0.02 0.31 0.00 0.42 0.02 0.00 0.00 176.35 177.12 1jgt s THR 346 N -0.56 1.51 -0.58 5.49 -4.23 -0.98 -2.13 115.64 114.15 1jgt s THR 346 Ca 0.08 -2.05 0.16 0.00 -1.18 0.00 0.00 61.69 58.70 1jgt s THR 346 Cb -0.11 -2.69 0.69 0.00 1.34 0.00 0.00 72.50 71.74 1jgt s THR 346 CO 0.00 -0.12 1.61 0.61 -0.54 0.00 0.00 174.62 176.18 1jgt n GLY 347 N -0.69 3.13 3.77 3.99 0.00 -1.26 -4.09 105.19 110.05 1jgt n GLY 347 Ca -0.04 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1jgt n GLY 347 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jgt s TYR 348 N -2.35 2.78 0.00 1.61 5.04 -1.26 -3.54 117.35 119.63 1jgt s TYR 348 Ca 0.49 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 1jgt s TYR 348 Cb 0.35 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1jgt s TYR 348 CO 0.17 -2.40 0.00 0.41 -1.34 0.00 0.00 175.55 172.40 1jgt n GLY 349 N 0.63 2.92 0.37 8.97 0.00 -1.26 -4.50 105.19 112.32 1jgt n GLY 349 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1jgt n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt h ALA 350 N 0.00 1.77 0.00 4.61 0.00 -1.89 -2.29 119.26 121.46 1jgt h ALA 350 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jgt h ALA 350 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jgt h ALA 350 CO 0.00 0.01 -0.03 -0.44 0.00 0.00 0.00 179.25 178.80 1jgt h ASP 351 N 0.75 0.00 0.32 0.00 3.45 -1.92 -3.07 116.42 115.95 1jgt h ASP 351 Ca 0.43 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.88 1jgt h ASP 351 Cb 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 1jgt h ASP 351 CO -0.19 0.03 -0.15 0.40 -1.57 0.00 0.00 179.24 177.75 1jgt h ILE 352 N 0.00 0.00 0.00 0.35 2.04 -1.81 0.57 117.51 118.67 1jgt h ILE 352 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1jgt h ILE 352 Cb 0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1jgt h ILE 352 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.70 1jgt h PRO 353 N -0.50 0.00 -0.01 2.37 0.13 -1.73 -2.69 132.00 129.57 1jgt h PRO 353 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jgt h PRO 353 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1jgt h PRO 353 CO 0.07 0.00 -0.36 1.28 -0.23 0.00 0.00 178.00 178.76 1jgt n LEU 354 N -3.01 1.42 -3.18 1.56 4.77 -1.16 -4.58 117.00 112.81 1jgt n LEU 354 Ca -0.00 -0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 55.36 1jgt n LEU 354 Cb 0.24 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1jgt n LEU 354 CO 0.25 0.27 0.12 0.61 -1.33 0.00 0.00 177.39 177.30 1jgt n GLY 355 N 1.38 -0.29 0.00 -0.72 0.00 0.89 -4.52 105.19 101.93 1jgt n GLY 355 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jgt n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 356 N -1.23 -0.46 0.04 -0.02 0.00 0.16 -1.43 105.19 102.26 1jgt n GLY 356 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jgt n GLY 356 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jgt n MET 357 N -1.45 0.53 -1.71 1.61 1.56 -1.26 -4.94 117.12 111.46 1jgt n MET 357 Ca 0.00 -0.07 -0.43 0.00 -0.27 0.00 0.00 57.70 56.93 1jgt n MET 357 Cb 0.02 -1.61 -0.02 0.00 2.15 0.00 0.00 33.22 33.77 1jgt n MET 357 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1jgt n HIS 358 N -2.25 2.50 -1.22 1.12 -0.00 -0.52 -4.93 115.22 109.93 1jgt n HIS 358 Ca -0.01 0.40 0.06 0.00 -0.00 0.00 0.00 57.72 58.16 1jgt n HIS 358 Cb 0.52 -2.50 0.08 0.00 -0.00 0.00 0.00 29.99 28.09 1jgt n HIS 358 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1jgt n ARG 359 N 1.59 1.03 -4.17 1.57 1.74 -1.26 -4.88 116.66 112.27 1jgt n ARG 359 Ca 0.08 -1.90 -0.10 0.00 -0.77 0.00 0.00 57.85 55.16 1jgt n ARG 359 Cb 0.35 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 1jgt n ARG 359 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1jgt s GLU 360 N -1.70 0.84 0.45 5.56 -1.05 -1.26 -5.04 118.70 116.51 1jgt s GLU 360 Ca 0.18 -1.35 0.29 0.00 -0.15 0.00 0.00 54.97 53.93 1jgt s GLU 360 Cb 0.15 -0.13 1.00 0.00 -0.44 0.00 0.00 34.13 34.71 1jgt s GLU 360 CO 0.02 -0.06 1.83 -0.44 0.95 0.00 0.00 175.26 177.56 1jgt h ASP 361 N 2.95 0.00 -2.93 0.83 3.32 -1.97 -3.44 116.42 115.18 1jgt h ASP 361 Ca -0.35 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.17 1jgt h ASP 361 Cb 1.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 1jgt h ASP 361 CO 0.64 0.00 0.79 -0.60 -1.72 0.00 0.00 179.24 178.35 1jgt s ARG 362 N -3.45 4.29 0.08 3.56 6.06 -1.26 -4.95 118.95 123.28 1jgt s ARG 362 Ca 0.04 2.13 0.16 0.00 -2.50 0.00 0.00 55.73 55.55 1jgt s ARG 362 Cb 0.08 -3.32 -0.12 0.00 0.06 0.00 0.00 34.95 31.66 1jgt s ARG 362 CO 0.56 -0.51 0.91 -0.07 -2.50 0.00 0.00 175.30 173.68 1jgt h LEU 363 N 7.21 0.00 -0.46 -0.88 3.38 -1.97 -3.41 115.31 119.18 1jgt h LEU 363 Ca -0.42 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.65 1jgt h LEU 363 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 1jgt h LEU 363 CO 0.88 0.62 -0.07 -0.65 0.09 0.00 0.00 178.44 179.31 1jgt h PRO 364 N 0.00 0.04 0.00 1.13 0.11 -1.99 -1.51 132.00 129.79 1jgt h PRO 364 Ca -0.15 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1jgt h PRO 364 Cb 1.60 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.70 1jgt h PRO 364 CO 0.05 0.03 -0.10 0.00 -0.21 0.00 0.00 178.00 177.77 1jgt h ALA 365 N 1.44 1.45 -0.24 -0.75 0.00 -2.00 -2.05 119.26 117.10 1jgt h ALA 365 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jgt h ALA 365 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jgt h ALA 365 CO -0.44 0.13 -0.02 1.25 0.00 0.00 0.00 179.25 180.17 1jgt h LEU 366 N 0.00 0.44 -0.79 0.00 5.85 -1.51 -1.70 115.31 117.60 1jgt h LEU 366 Ca -0.00 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 1jgt h LEU 366 Cb 0.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1jgt h LEU 366 CO 0.01 0.67 -0.24 0.44 -0.34 0.00 0.00 178.44 178.99 1jgt h ASP 367 N 0.21 0.66 0.06 1.25 3.32 -1.28 -1.13 116.42 119.51 1jgt h ASP 367 Ca 0.07 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1jgt h ASP 367 Cb 0.46 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1jgt h ASP 367 CO 0.02 0.88 -0.03 0.74 -1.72 0.00 0.00 179.24 179.13 1jgt h THR 368 N 0.57 0.99 -0.35 0.35 2.02 -1.26 -0.02 112.91 115.22 1jgt h THR 368 Ca 0.08 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1jgt h THR 368 Cb 0.71 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1jgt h THR 368 CO 0.05 0.04 0.10 0.58 0.37 0.00 0.00 175.52 176.66 1jgt h VAL 369 N -0.14 1.21 0.01 3.16 2.07 -1.27 -1.94 116.25 119.36 1jgt h VAL 369 Ca -0.01 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1jgt h VAL 369 Cb 0.12 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1jgt h VAL 369 CO 0.01 0.24 -0.10 0.25 0.02 0.00 0.00 177.57 177.99 1jgt h LEU 370 N 0.41 -0.30 -0.95 2.57 5.85 -1.08 0.15 115.31 121.95 1jgt h LEU 370 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1jgt h LEU 370 Cb 0.27 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1jgt h LEU 370 CO -0.00 -0.15 0.62 0.00 -0.34 0.00 0.00 178.44 178.57 1jgt h ALA 371 N 0.78 1.25 -0.43 1.25 0.00 -0.95 -0.61 119.26 120.55 1jgt h ALA 371 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1jgt h ALA 371 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jgt h ALA 371 CO -0.10 0.52 -0.06 1.25 0.00 0.00 0.00 179.25 180.85 1jgt h HIS 372 N 1.22 0.89 -0.66 0.00 -0.00 -0.95 -2.44 115.15 113.21 1jgt h HIS 372 Ca 0.37 -0.18 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1jgt h HIS 372 Cb -0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 1jgt h HIS 372 CO -0.01 0.89 0.39 -0.44 -0.00 0.00 0.00 177.93 178.77 1jgt h ASP 373 N 0.63 0.79 0.91 3.26 3.32 -0.09 -2.07 116.42 123.18 1jgt h ASP 373 Ca 0.11 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1jgt h ASP 373 Cb 0.58 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1jgt h ASP 373 CO 0.03 0.62 -0.03 0.24 -1.72 0.00 0.00 179.24 178.39 1jgt h MET 374 N 0.89 0.00 -0.01 3.56 2.86 -1.04 -2.33 114.93 118.87 1jgt h MET 374 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1jgt h MET 374 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1jgt h MET 374 CO -0.04 0.03 -0.39 0.00 1.06 0.00 0.00 176.91 177.56 1jgt n ALA 375 N -2.11 3.38 -0.37 6.32 0.00 -0.88 -4.37 120.51 122.46 1jgt n ALA 375 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1jgt n ALA 375 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1jgt n ALA 375 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jgt n THR 376 N -0.69 0.57 0.16 0.00 -2.24 -0.83 -4.80 114.28 106.46 1jgt n THR 376 Ca 0.10 -0.60 0.02 0.00 -2.27 0.00 0.00 64.05 61.31 1jgt n THR 376 Cb 0.37 0.75 0.24 0.00 -2.10 0.00 0.00 70.33 69.59 1jgt n THR 376 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1jgt h PHE 377 N 0.00 0.00 -2.68 4.78 -0.00 -1.64 -3.44 116.94 113.96 1jgt h PHE 377 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.97 57.43 1jgt h PHE 377 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.59 1jgt h PHE 377 CO 0.00 0.50 1.02 0.34 -0.00 0.00 0.00 178.31 180.16 1jgt s ASP 378 N -6.59 6.66 0.00 -0.68 2.15 -1.26 -2.18 116.67 114.76 1jgt s ASP 378 Ca -0.00 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1jgt s ASP 378 Cb 0.11 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1jgt s ASP 378 CO 0.72 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1jgt n GLY 379 N 4.02 1.74 0.19 2.66 0.00 -1.26 -4.92 105.19 107.62 1jgt n GLY 379 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1jgt n GLY 379 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jgt h LEU 380 N 0.00 0.00 1.65 0.99 4.07 -1.73 -3.47 115.31 116.82 1jgt h LEU 380 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1jgt h LEU 380 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1jgt h LEU 380 CO 0.00 0.26 -0.27 0.59 -1.08 0.00 0.00 178.44 177.94 1jgt n ASN 381 N -3.21 -3.59 0.30 -0.43 3.02 -1.26 -4.70 115.26 105.38 1jgt n ASN 381 Ca 0.02 0.26 0.16 0.00 -0.03 0.00 0.00 54.58 54.99 1jgt n ASN 381 Cb 0.59 -3.23 0.93 0.00 -0.61 0.00 0.00 39.78 37.46 1jgt n ASN 381 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1jgt h GLU 382 N 0.00 0.00 -0.33 3.52 4.11 -1.91 -2.63 114.58 117.34 1jgt h GLU 382 Ca -0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.09 1jgt h GLU 382 Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1jgt h GLU 382 CO 0.37 0.01 0.01 -1.33 0.07 0.00 0.00 179.01 178.14 1jgt n MET 383 N -3.76 2.74 -1.76 1.06 2.81 -1.26 -5.02 117.12 111.94 1jgt n MET 383 Ca -0.03 -2.94 -0.40 0.00 -1.81 0.00 0.00 57.70 52.52 1jgt n MET 383 Cb 0.09 -1.88 0.02 0.00 -0.71 0.00 0.00 33.22 30.75 1jgt n MET 383 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jgt n SER 384 N -0.63 3.28 0.21 7.83 2.88 -0.99 -4.80 113.62 121.39 1jgt n SER 384 Ca 0.26 1.11 0.07 0.00 -1.33 0.00 0.00 58.87 58.98 1jgt n SER 384 Cb 0.98 -1.60 0.45 0.00 -0.75 0.00 0.00 64.21 63.28 1jgt n SER 384 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jgt h PRO 385 N 2.20 0.00 -0.38 -1.46 0.13 -1.90 -3.12 132.00 127.48 1jgt h PRO 385 Ca -0.51 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.73 1jgt h PRO 385 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1jgt h PRO 385 CO 0.61 0.30 0.32 0.28 -0.23 0.00 0.00 178.00 179.27 1jgt h VAL 386 N 0.00 0.63 -0.78 1.56 2.07 -1.91 0.33 116.25 118.16 1jgt h VAL 386 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1jgt h VAL 386 Cb 0.71 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1jgt h VAL 386 CO 0.04 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.07 1jgt h LEU 387 N 0.00 0.70 0.00 2.57 3.38 -1.81 -1.93 115.31 118.23 1jgt h LEU 387 Ca 0.18 0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.78 1jgt h LEU 387 Cb 0.81 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1jgt h LEU 387 CO -0.00 0.44 -2.40 -1.54 0.09 0.00 0.00 178.44 175.03 1jgt n SER 388 N -4.49 1.02 0.12 -0.43 3.41 -0.22 -4.39 113.62 108.64 1jgt n SER 388 Ca 0.12 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1jgt n SER 388 Cb 0.25 0.25 0.48 0.00 -0.26 0.00 0.00 64.21 64.93 1jgt n SER 388 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jgt n THR 389 N -3.02 0.90 0.30 6.66 -2.24 -0.06 -1.31 114.28 115.50 1jgt n THR 389 Ca -0.39 0.31 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 1jgt n THR 389 Cb 1.07 -1.23 0.71 0.00 -2.10 0.00 0.00 70.33 68.78 1jgt n THR 389 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1jgt h LEU 390 N 0.00 0.00 -2.14 3.22 8.10 -1.54 0.13 115.31 123.08 1jgt h LEU 390 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgt h LEU 390 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1jgt h LEU 390 CO 0.00 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.33 1jgt n ALA 391 N -1.91 2.31 -0.48 0.17 0.00 -0.43 -4.39 120.51 115.78 1jgt n ALA 391 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1jgt n ALA 391 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1jgt n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 392 N 0.37 0.91 3.88 0.00 0.00 0.28 -4.99 105.19 105.63 1jgt n GLY 392 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1jgt n GLY 392 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jgt s HIS 393 N -3.04 3.59 -0.10 1.61 3.76 -1.03 -4.53 115.29 115.55 1jgt s HIS 393 Ca 0.00 0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 55.47 1jgt s HIS 393 Cb 0.00 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 1jgt s HIS 393 CO 0.00 0.59 0.24 -0.46 -0.85 0.00 0.00 174.74 174.26 1jgt s TRP 394 N -1.30 3.60 0.08 1.40 -0.11 -0.30 -1.55 118.94 120.75 1jgt s TRP 394 Ca 0.28 0.66 0.09 0.00 1.22 0.00 0.00 56.10 58.35 1jgt s TRP 394 Cb -0.14 -2.13 -0.03 0.00 -1.50 0.00 0.00 33.47 29.67 1jgt s TRP 394 CO 0.16 0.58 -0.25 0.95 -4.62 0.00 0.00 176.95 173.78 1jgt s THR 395 N -0.65 2.02 -0.01 5.86 -4.23 -1.26 0.26 115.64 117.63 1jgt s THR 395 Ca 0.17 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 1jgt s THR 395 Cb -0.13 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1jgt s THR 395 CO 0.06 0.19 0.10 0.28 -0.54 0.00 0.00 174.62 174.71 1jgt s THR 396 N -0.93 0.05 -0.41 3.99 -1.32 -0.21 -4.86 115.64 111.95 1jgt s THR 396 Ca 0.11 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.19 1jgt s THR 396 Cb -0.10 -0.29 0.11 0.00 -1.51 0.00 0.00 72.50 70.72 1jgt s THR 396 CO 0.03 -0.24 0.14 -1.00 -2.21 0.00 0.00 174.62 171.35 1jgt s HIS 397 N -0.77 3.56 0.38 9.09 3.76 -1.26 -2.32 115.29 127.72 1jgt s HIS 397 Ca -0.09 -3.02 0.15 0.00 -0.15 0.00 0.00 55.06 51.96 1jgt s HIS 397 Cb -0.05 -2.92 1.02 0.00 1.11 0.00 0.00 32.58 31.74 1jgt s HIS 397 CO 0.01 -0.88 1.78 -1.35 -0.85 0.00 0.00 174.74 173.45 1jgt h PRO 398 N 7.26 0.46 0.00 8.40 0.11 -1.88 -2.20 132.00 144.15 1jgt h PRO 398 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jgt h PRO 398 Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jgt h PRO 398 CO 0.59 0.31 0.00 1.88 -0.21 0.00 0.00 178.00 180.57 1jgt h TYR 399 N 0.48 0.00 -0.46 0.65 -1.99 -1.83 -2.15 116.97 111.66 1jgt h TYR 399 Ca 0.57 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.30 1jgt h TYR 399 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1jgt h TYR 399 CO -0.00 0.00 0.00 0.91 -0.00 0.00 0.00 178.16 179.07 1jgt n TRP 400 N -3.07 1.65 -1.97 4.88 7.02 -0.83 -3.74 117.44 121.39 1jgt n TRP 400 Ca -0.00 -0.78 -0.39 0.00 -1.02 0.00 0.00 57.50 55.30 1jgt n TRP 400 Cb 0.24 -0.43 0.01 0.00 -2.42 0.00 0.00 31.31 28.70 1jgt n TRP 400 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1jgt s ASP 401 N -1.22 6.02 0.27 -0.99 -1.08 -0.81 -4.76 116.67 114.09 1jgt s ASP 401 Ca 0.50 2.71 -0.01 0.00 -0.52 0.00 0.00 52.55 55.22 1jgt s ASP 401 Cb 0.39 -2.64 0.47 0.00 -1.46 0.00 0.00 42.92 39.67 1jgt s ASP 401 CO 0.13 -1.05 1.84 -0.09 0.52 0.00 0.00 175.17 176.52 1jgt h ARG 402 N 2.33 0.94 -0.24 4.34 2.43 -1.91 0.23 114.38 122.50 1jgt h ARG 402 Ca -0.50 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.49 1jgt h ARG 402 Cb 1.26 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1jgt h ARG 402 CO 0.61 0.62 -0.35 0.93 -1.51 0.00 0.00 179.97 180.28 1jgt h GLU 403 N 0.97 0.65 -0.33 0.20 4.39 -1.96 -1.53 114.58 116.97 1jgt h GLU 403 Ca 0.45 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1jgt h GLU 403 Cb 0.37 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1jgt h GLU 403 CO -0.24 1.00 -0.02 0.28 -1.16 0.00 0.00 179.01 178.87 1jgt h VAL 404 N 0.36 1.26 -0.12 3.13 2.07 -1.80 -2.42 116.25 118.74 1jgt h VAL 404 Ca 0.02 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1jgt h VAL 404 Cb 0.93 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1jgt h VAL 404 CO 0.08 0.33 0.07 0.25 0.02 0.00 0.00 177.57 178.32 1jgt h LEU 405 N 0.39 0.14 -0.59 2.57 5.85 -0.55 0.05 115.31 123.18 1jgt h LEU 405 Ca 0.09 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1jgt h LEU 405 Cb 0.48 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1jgt h LEU 405 CO 0.02 0.14 0.32 0.44 -0.34 0.00 0.00 178.44 179.02 1jgt h ASP 406 N 0.13 0.47 0.04 1.25 3.32 -1.26 -0.07 116.42 120.30 1jgt h ASP 406 Ca 0.04 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jgt h ASP 406 Cb 0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1jgt h ASP 406 CO -0.01 0.31 -0.02 0.25 -1.72 0.00 0.00 179.24 178.05 1jgt h LEU 407 N 0.60 -0.05 -0.80 1.55 5.85 -1.13 -2.02 115.31 119.31 1jgt h LEU 407 Ca 0.26 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1jgt h LEU 407 Cb 0.15 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1jgt h LEU 407 CO -0.17 0.20 0.39 -0.07 -0.34 0.00 0.00 178.44 178.46 1jgt h LEU 408 N -0.30 1.04 -0.69 2.25 3.38 -0.78 -2.54 115.31 117.67 1jgt h LEU 408 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1jgt h LEU 408 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1jgt h LEU 408 CO 0.01 0.88 0.38 0.58 0.09 0.00 0.00 178.44 180.38 1jgt h VAL 409 N 1.13 1.21 0.00 1.22 2.07 -0.99 -3.09 116.25 117.81 1jgt h VAL 409 Ca 0.28 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1jgt h VAL 409 Cb 0.11 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1jgt h VAL 409 CO -0.04 0.24 -0.14 0.77 0.02 0.00 0.00 177.57 178.42 1jgt h SER 410 N 0.95 0.00 -3.95 0.57 4.64 -0.95 -3.46 113.55 111.35 1jgt h SER 410 Ca 0.24 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.03 1jgt h SER 410 Cb 0.04 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.22 1jgt h SER 410 CO -0.04 0.14 0.67 -0.76 -0.87 0.00 0.00 176.83 175.98 1jgt s LEU 411 N -6.88 4.24 0.57 5.97 1.43 -1.05 -0.24 118.68 122.72 1jgt s LEU 411 Ca -0.01 2.81 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 1jgt s LEU 411 Cb 0.11 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1jgt s LEU 411 CO 0.59 -0.89 1.22 -1.83 0.23 0.00 0.00 176.35 175.68 1jgt s GLU 412 N -2.19 3.11 0.49 1.70 4.04 -1.26 -4.82 118.70 119.77 1jgt s GLU 412 Ca 0.56 1.88 0.24 0.00 0.04 0.00 0.00 54.97 57.68 1jgt s GLU 412 Cb -0.42 -2.05 1.29 0.00 0.02 0.00 0.00 34.13 32.98 1jgt s GLU 412 CO 0.54 -1.11 1.93 0.00 -1.84 0.00 0.00 175.26 174.79 1jgt h ALA 413 N 1.14 2.46 0.00 -0.84 0.00 -1.94 -1.38 119.26 118.70 1jgt h ALA 413 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jgt h ALA 413 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jgt h ALA 413 CO 0.56 -0.67 0.00 0.78 0.00 0.00 0.00 179.25 179.92 1jgt h GLY 414 N 0.16 0.00 0.66 0.00 0.00 -1.91 0.40 103.07 102.38 1jgt h GLY 414 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1jgt h GLY 414 CO -0.06 0.00 -1.39 1.04 0.00 0.00 0.00 176.54 176.14 1jgt n LEU 415 N -2.36 0.57 0.03 3.11 4.77 -0.52 -4.24 117.00 118.36 1jgt n LEU 415 Ca -0.01 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1jgt n LEU 415 Cb 0.07 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1jgt n LEU 415 CO 0.12 -0.08 -0.39 0.11 -1.33 0.00 0.00 177.39 175.82 1jgt h LYS 416 N 0.00 0.16 -4.27 3.23 1.57 -1.03 -1.66 116.57 114.56 1jgt h LYS 416 Ca -0.03 -0.27 -0.59 0.00 -1.87 0.00 0.00 60.65 57.89 1jgt h LYS 416 Cb 1.09 0.10 -0.38 0.00 0.08 0.00 0.00 32.23 33.12 1jgt h LYS 416 CO 0.01 0.95 -0.79 0.50 -0.57 0.00 0.00 179.45 179.55 1jgt s ARG 417 N -2.62 1.57 0.15 3.15 6.06 -0.70 -0.49 118.95 126.07 1jgt s ARG 417 Ca -0.08 -0.79 -0.20 0.00 -2.50 0.00 0.00 55.73 52.16 1jgt s ARG 417 Cb 0.07 -2.36 0.05 0.00 0.06 0.00 0.00 34.95 32.77 1jgt s ARG 417 CO 0.83 -0.53 0.52 0.50 -2.50 0.00 0.00 175.30 174.13 1jgt s ARG 418 N 1.50 1.23 -0.76 5.12 3.52 -0.87 -4.57 118.95 124.12 1jgt s ARG 418 Ca -0.03 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1jgt s ARG 418 Cb -0.17 0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 1jgt s ARG 418 CO -0.07 -0.52 0.00 0.72 -0.81 0.00 0.00 175.30 174.62 1jgt n HIS 419 N -0.32 -1.41 -1.10 5.12 8.25 -1.26 0.10 115.22 124.59 1jgt n HIS 419 Ca -0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.27 1jgt n HIS 419 Cb 0.64 -2.18 -0.02 0.00 1.12 0.00 0.00 29.99 29.56 1jgt n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgt n GLY 420 N -0.61 0.61 3.37 -1.41 0.00 -1.26 -5.01 105.19 100.88 1jgt n GLY 420 Ca -0.10 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1jgt n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jgt s ARG 421 N -1.60 1.67 0.49 1.61 0.52 0.28 -5.07 118.95 116.85 1jgt s ARG 421 Ca 0.00 -1.19 -0.14 0.00 -0.52 0.00 0.00 55.73 53.88 1jgt s ARG 421 Cb 0.00 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 1jgt s ARG 421 CO 0.00 0.49 0.92 0.16 0.02 0.00 0.00 175.30 176.89 1jgt s ASP 422 N -1.57 6.56 -1.79 0.23 -4.77 -1.26 -2.05 116.67 112.01 1jgt s ASP 422 Ca 0.13 1.42 -0.21 0.00 -3.30 0.00 0.00 52.55 50.59 1jgt s ASP 422 Cb -0.10 -2.45 0.19 0.00 -1.09 0.00 0.00 42.92 39.48 1jgt s ASP 422 CO 0.04 -0.55 0.67 0.29 0.70 0.00 0.00 175.17 176.32 1jgt n LYS 423 N -1.59 -1.86 -0.19 2.11 5.02 0.35 -4.81 118.16 117.20 1jgt n LYS 423 Ca 0.05 0.25 -0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1jgt n LYS 423 Cb 0.54 -4.86 0.09 0.00 -0.02 0.00 0.00 35.03 30.78 1jgt n LYS 423 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1jgt h TRP 424 N -1.19 0.11 -0.62 2.13 7.01 -1.53 -1.49 115.95 120.37 1jgt h TRP 424 Ca -0.60 0.04 0.13 0.00 2.11 0.00 0.00 58.89 60.57 1jgt h TRP 424 Cb 1.39 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 28.45 1jgt h TRP 424 CO 0.67 -0.07 0.42 -0.24 -2.79 0.00 0.00 178.44 176.43 1jgt h VAL 425 N 0.20 0.81 0.09 2.65 3.04 -1.55 0.11 116.25 121.60 1jgt h VAL 425 Ca 0.30 -0.09 -0.26 0.00 -1.01 0.00 0.00 66.70 65.64 1jgt h VAL 425 Cb 0.45 0.52 0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1jgt h VAL 425 CO -0.42 0.05 -1.14 0.25 -1.01 0.00 0.00 177.57 175.29 1jgt h LEU 426 N 0.27 0.51 -0.53 3.16 5.85 -1.59 -1.52 115.31 121.45 1jgt h LEU 426 Ca 0.29 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1jgt h LEU 426 Cb 0.79 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1jgt h LEU 426 CO -0.06 1.34 0.02 0.03 -0.34 0.00 0.00 178.44 179.43 1jgt h ARG 427 N 0.14 0.92 -0.49 1.25 3.08 -0.59 -2.47 114.38 116.22 1jgt h ARG 427 Ca -0.12 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 1jgt h ARG 427 Cb 1.83 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1jgt h ARG 427 CO 0.19 0.93 -0.15 0.00 -1.07 0.00 0.00 179.97 179.87 1jgt h ALA 428 N 0.96 0.68 -0.52 0.04 0.00 -0.90 -1.48 119.26 118.03 1jgt h ALA 428 Ca 0.15 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1jgt h ALA 428 Cb 0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jgt h ALA 428 CO 0.02 0.62 0.34 0.00 0.00 0.00 0.00 179.25 180.23 1jgt h ALA 429 N 0.88 1.76 -0.06 0.00 0.00 -1.06 -2.72 119.26 118.06 1jgt h ALA 429 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jgt h ALA 429 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jgt h ALA 429 CO 0.05 0.18 0.00 -1.33 0.00 0.00 0.00 179.25 178.15 1jgt n MET 430 N -4.47 1.95 0.28 0.00 2.81 -0.95 -4.64 117.12 112.10 1jgt n MET 430 Ca 0.06 -1.79 0.13 0.00 -1.81 0.00 0.00 57.70 54.29 1jgt n MET 430 Cb 0.15 -1.41 0.69 0.00 -0.71 0.00 0.00 33.22 31.94 1jgt n MET 430 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jgt h ALA 431 N 4.09 1.26 -0.22 3.04 0.00 -0.93 0.41 119.26 126.90 1jgt h ALA 431 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jgt h ALA 431 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jgt h ALA 431 CO 0.00 -0.26 0.00 -0.40 0.00 0.00 0.00 179.25 178.59 1jgt n ASP 432 N -2.62 3.03 -0.01 0.00 5.75 -1.26 -4.38 116.55 117.06 1jgt n ASP 432 Ca -0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1jgt n ASP 432 Cb 0.33 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1jgt n ASP 432 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jgt n ALA 433 N 1.22 2.36 -2.20 2.12 0.00 0.12 -5.06 120.51 119.07 1jgt n ALA 433 Ca 0.15 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 1jgt n ALA 433 Cb 0.53 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1jgt n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgt s LEU 434 N -0.63 2.17 0.47 0.00 1.43 -1.13 -4.92 118.68 116.07 1jgt s LEU 434 Ca 0.00 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.74 1jgt s LEU 434 Cb 0.00 0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.18 1jgt s LEU 434 CO 0.01 -0.58 1.26 -2.16 0.23 0.00 0.00 176.35 175.11 1jgt s PRO 435 N -3.92 3.63 0.30 1.29 0.04 -1.26 -4.84 135.00 130.24 1jgt s PRO 435 Ca 0.20 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.32 1jgt s PRO 435 Cb 0.06 -2.46 0.77 0.00 0.04 0.00 0.00 34.50 32.91 1jgt s PRO 435 CO 0.00 -0.73 1.70 0.00 0.04 0.00 0.00 177.00 178.02 1jgt h ALA 436 N 2.05 1.53 -0.38 8.56 0.00 -2.00 -0.86 119.26 128.16 1jgt h ALA 436 Ca -0.50 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jgt h ALA 436 Cb 1.26 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1jgt h ALA 436 CO 0.60 -0.32 0.17 1.05 0.00 0.00 0.00 179.25 180.75 1jgt h GLU 437 N 0.45 0.53 -0.12 0.00 4.11 -1.96 -2.45 114.58 115.13 1jgt h GLU 437 Ca 0.58 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 59.77 1jgt h GLU 437 Cb 1.11 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1jgt h GLU 437 CO -0.51 0.43 -0.66 1.15 0.07 0.00 0.00 179.01 179.49 1jgt h THR 438 N 0.53 1.32 -0.44 -1.06 2.02 -1.53 -2.87 112.91 110.88 1jgt h THR 438 Ca 0.13 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1jgt h THR 438 Cb 0.08 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1jgt h THR 438 CO -0.02 0.59 0.28 0.58 0.37 0.00 0.00 175.52 177.33 1jgt h VAL 439 N 0.32 1.13 -0.19 3.16 2.07 -1.10 -3.29 116.25 118.35 1jgt h VAL 439 Ca -0.05 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1jgt h VAL 439 Cb 1.30 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1jgt h VAL 439 CO 0.14 0.12 -0.20 -0.46 0.02 0.00 0.00 177.57 177.19 1jgt n ASN 440 N -4.76 2.35 -4.67 0.57 0.23 -0.96 -4.81 115.26 103.21 1jgt n ASN 440 Ca 0.01 -3.67 -0.40 0.00 -0.53 0.00 0.00 54.58 49.99 1jgt n ASN 440 Cb 0.04 -0.57 -0.06 0.00 -2.08 0.00 0.00 39.78 37.10 1jgt n ASN 440 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1jgt s ARG 441 N -3.17 4.23 0.46 -3.83 3.52 -1.08 -5.02 118.95 114.06 1jgt s ARG 441 Ca 0.41 0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 56.35 1jgt s ARG 441 Cb 0.38 -3.55 -0.12 0.00 -1.56 0.00 0.00 34.95 30.10 1jgt s ARG 441 CO -0.01 -0.15 0.53 -0.35 -0.81 0.00 0.00 175.30 174.51 1jgt n PRO 442 N 4.75 0.57 -1.71 5.12 -0.04 -1.26 -4.83 135.00 137.61 1jgt n PRO 442 Ca -0.03 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1jgt n PRO 442 Cb 0.50 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1jgt n PRO 442 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jgt s LYS 443 N -1.69 4.14 0.00 0.54 2.20 -1.26 -5.04 119.74 118.63 1jgt s LYS 443 Ca 0.64 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.83 1jgt s LYS 443 Cb -0.56 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 31.76 1jgt s LYS 443 CO 0.58 -0.92 0.00 1.28 -0.36 0.00 0.00 175.35 175.93 1jgt n LEU 444 N 7.01 0.00 0.00 5.43 4.77 -1.26 -5.15 117.00 127.79 1jgt n LEU 444 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jgt n LEU 444 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1jgt n LEU 444 CO 0.67 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.53 1jgt n SER 450 N 1.03 0.00 0.00 -1.43 7.64 -1.26 -5.03 113.62 114.57 1jgt n SER 450 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jgt n SER 450 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jgt n SER 450 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jgt n GLY 451 N 0.00 3.11 3.69 0.23 0.00 -1.26 -5.00 105.19 105.96 1jgt n GLY 451 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jgt n GLY 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgt s THR 452 N -1.64 3.85 0.26 2.61 -4.23 -1.26 -5.02 115.64 110.21 1jgt s THR 452 Ca 0.00 1.20 -0.06 0.00 -1.18 0.00 0.00 61.69 61.66 1jgt s THR 452 Cb 0.00 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 1jgt s THR 452 CO 0.00 -0.01 0.53 -0.89 -0.54 0.00 0.00 174.62 173.71 1jgt s THR 453 N 2.48 5.03 0.58 3.99 2.01 -1.26 -5.08 115.64 123.38 1jgt s THR 453 Ca 0.62 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1jgt s THR 453 Cb -0.30 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1jgt s THR 453 CO 0.25 -0.23 1.04 -0.94 -0.69 0.00 0.00 174.62 174.05 1jgt s SER 454 N -2.94 5.97 0.46 3.53 1.04 -1.26 -4.83 113.70 115.67 1jgt s SER 454 Ca 0.44 1.75 0.13 0.00 0.48 0.00 0.00 55.95 58.75 1jgt s SER 454 Cb -0.11 -2.53 1.06 0.00 0.10 0.00 0.00 66.02 64.54 1jgt s SER 454 CO 0.28 -1.04 2.07 0.77 0.98 0.00 0.00 173.24 176.30 1jgt h SER 455 N 0.51 0.15 -0.31 7.02 4.64 -1.98 0.30 113.55 123.88 1jgt h SER 455 Ca -0.47 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 1jgt h SER 455 Cb 1.21 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1jgt h SER 455 CO 0.58 0.17 -0.19 0.15 -0.87 0.00 0.00 176.83 176.68 1jgt h PHE 456 N 0.17 0.79 -0.56 4.77 3.57 -1.99 0.18 116.94 123.87 1jgt h PHE 456 Ca 0.04 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 1jgt h PHE 456 Cb 0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1jgt h PHE 456 CO 0.00 0.92 0.04 0.77 -2.23 0.00 0.00 178.31 177.80 1jgt h SER 457 N 0.44 0.94 -0.79 0.41 0.02 -1.69 -2.80 113.55 110.07 1jgt h SER 457 Ca 0.07 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1jgt h SER 457 Cb 0.73 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1jgt h SER 457 CO 0.05 1.00 0.52 -0.09 -1.14 0.00 0.00 176.83 177.17 1jgt h ARG 458 N 0.85 1.02 -0.65 3.45 9.65 -0.17 -1.36 114.38 127.18 1jgt h ARG 458 Ca 0.16 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1jgt h ARG 458 Cb 0.49 -0.23 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 1jgt h ARG 458 CO 0.02 0.68 0.34 1.25 2.80 0.00 0.00 179.97 185.06 1jgt h LEU 459 N 1.05 0.48 -0.24 3.80 5.85 -0.39 0.18 115.31 126.04 1jgt h LEU 459 Ca 0.30 0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.85 1jgt h LEU 459 Cb -0.09 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 40.89 1jgt h LEU 459 CO -0.07 0.31 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.52 1jgt h LEU 460 N 0.62 0.82 -1.19 2.25 -0.00 -1.31 -3.01 115.31 113.49 1jgt h LEU 460 Ca 0.30 -0.53 -0.04 0.00 -0.00 0.00 0.00 57.88 57.61 1jgt h LEU 460 Cb 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1jgt h LEU 460 CO -0.20 1.31 0.08 -0.07 -0.00 0.00 0.00 178.44 179.56 1jgt h LEU 461 N 0.48 0.59 0.00 1.67 3.38 -0.82 -0.54 115.31 120.07 1jgt h LEU 461 Ca -0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jgt h LEU 461 Cb 1.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1jgt h LEU 461 CO 0.15 0.61 0.00 0.47 0.09 0.00 0.00 178.44 179.76 1jgt n ASP 462 N -4.30 0.00 -0.75 -0.43 10.43 0.59 -1.16 116.55 120.93 1jgt n ASP 462 Ca 0.03 0.46 0.12 0.00 2.57 0.00 0.00 54.79 57.96 1jgt n ASP 462 Cb 0.22 -0.48 0.15 0.00 1.84 0.00 0.00 41.12 42.85 1jgt n ASP 462 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1jgt n HIS 463 N -1.48 0.00 -1.40 1.24 8.25 -0.26 -4.95 115.22 116.63 1jgt n HIS 463 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1jgt n HIS 463 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1jgt n HIS 463 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgt n GLY 464 N 1.34 0.71 3.71 -1.41 0.00 -0.31 -5.00 105.19 104.24 1jgt n GLY 464 Ca 0.14 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1jgt n GLY 464 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgt s VAL 465 N -2.00 4.99 0.22 1.61 1.01 -0.90 -5.00 120.40 120.33 1jgt s VAL 465 Ca 0.00 1.57 -0.32 0.00 0.00 0.00 0.00 61.98 63.23 1jgt s VAL 465 Cb 0.00 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1jgt s VAL 465 CO 0.00 0.20 1.45 0.00 0.00 0.00 0.00 175.10 176.75 1jgt n ALA 466 N 4.03 1.16 0.29 5.51 0.00 -1.26 -4.54 120.51 125.70 1jgt n ALA 466 Ca 0.01 0.42 0.19 0.00 0.00 0.00 0.00 53.44 54.06 1jgt n ALA 466 Cb 0.51 -2.29 0.97 0.00 0.00 0.00 0.00 19.45 18.64 1jgt n ALA 466 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jgt h GLU 467 N 4.65 0.00 -0.00 0.00 4.81 -1.98 0.76 114.58 122.82 1jgt h GLU 467 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1jgt h GLU 467 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1jgt h GLU 467 CO 0.79 0.00 -0.17 -0.40 -0.73 0.00 0.00 179.01 178.50 1jgt n ASP 468 N -3.30 0.28 -0.30 1.04 5.75 -1.26 -3.44 116.55 115.31 1jgt n ASP 468 Ca -0.01 -0.06 0.03 0.00 -0.01 0.00 0.00 54.79 54.74 1jgt n ASP 468 Cb 0.24 -0.15 0.06 0.00 -1.03 0.00 0.00 41.12 40.24 1jgt n ASP 468 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jgt n ARG 469 N -1.33 1.60 0.19 0.11 1.74 0.23 -4.74 116.66 114.46 1jgt n ARG 469 Ca 0.09 -1.40 -0.14 0.00 -0.77 0.00 0.00 57.85 55.63 1jgt n ARG 469 Cb 0.32 -1.13 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 1jgt n ARG 469 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jgt h VAL 470 N 1.14 0.67 -0.82 1.55 2.07 -1.51 -1.67 116.25 117.67 1jgt h VAL 470 Ca 0.00 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.28 1jgt h VAL 470 Cb 0.47 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 1jgt h VAL 470 CO 0.00 0.07 0.45 -0.74 0.02 0.00 0.00 177.57 177.37 1jgt h HIS 471 N -0.66 0.81 0.00 1.57 -0.00 -1.85 0.20 115.15 115.23 1jgt h HIS 471 Ca -0.05 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1jgt h HIS 471 Cb 0.47 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1jgt h HIS 471 CO -0.01 0.29 -0.46 1.49 -0.00 0.00 0.00 177.93 179.25 1jgt h GLU 472 N 0.73 0.00 -0.39 5.26 4.57 -1.88 -1.41 114.58 121.46 1jgt h GLU 472 Ca 0.41 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.47 1jgt h GLU 472 Cb 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1jgt h GLU 472 CO -0.28 0.46 -0.25 0.00 -1.18 0.00 0.00 179.01 177.76 1jgt h ALA 473 N 1.54 0.82 -0.18 2.92 0.00 0.21 -1.70 119.26 122.87 1jgt h ALA 473 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1jgt h ALA 473 Cb 0.84 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1jgt h ALA 473 CO 0.06 0.64 -0.49 0.87 0.00 0.00 0.00 179.25 180.34 1jgt h LYS 474 N 0.69 0.47 -0.54 0.00 1.57 -0.31 -1.97 116.57 116.48 1jgt h LYS 474 Ca 0.09 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1jgt h LYS 474 Cb 0.78 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1jgt h LYS 474 CO 0.06 0.85 0.02 -0.09 -0.57 0.00 0.00 179.45 179.73 1jgt h ARG 475 N 0.37 0.90 -0.12 3.15 2.43 -0.97 -2.16 114.38 117.97 1jgt h ARG 475 Ca 0.02 -0.25 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 1jgt h ARG 475 Cb 0.99 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1jgt h ARG 475 CO 0.09 0.88 -0.67 0.37 -1.51 0.00 0.00 179.97 179.13 1jgt h GLN 476 N 0.84 0.50 0.03 0.20 4.15 -1.13 -1.55 115.11 118.15 1jgt h GLN 476 Ca 0.16 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1jgt h GLN 476 Cb 0.46 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1jgt h GLN 476 CO 0.02 1.00 -0.02 0.28 -1.93 0.00 0.00 178.83 178.18 1jgt h VAL 477 N 0.36 1.08 -0.70 2.39 2.07 -1.16 -1.50 116.25 118.78 1jgt h VAL 477 Ca -0.02 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1jgt h VAL 477 Cb 1.24 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1jgt h VAL 477 CO 0.12 0.09 0.40 0.58 0.02 0.00 0.00 177.57 178.78 1jgt h VAL 478 N -0.19 1.21 -0.81 2.57 2.07 -1.41 -1.01 116.25 118.69 1jgt h VAL 478 Ca -0.00 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1jgt h VAL 478 Cb 0.17 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1jgt h VAL 478 CO 0.01 0.22 0.48 -0.09 0.02 0.00 0.00 177.57 178.21 1jgt h ARG 479 N 0.96 0.81 -0.00 1.57 9.65 -1.08 -0.03 114.38 126.26 1jgt h ARG 479 Ca 0.25 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.92 1jgt h ARG 479 Cb 0.00 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 1jgt h ARG 479 CO -0.04 0.54 -0.73 0.93 2.80 0.00 0.00 179.97 183.47 1jgt h GLU 480 N 0.84 0.03 -0.19 0.20 5.08 -0.72 -2.07 114.58 117.76 1jgt h GLU 480 Ca 0.37 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1jgt h GLU 480 Cb 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jgt h GLU 480 CO -0.21 0.74 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.99 1jgt h LEU 481 N 0.02 0.53 -0.25 1.33 3.38 -0.45 -2.33 115.31 117.54 1jgt h LEU 481 Ca -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1jgt h LEU 481 Cb 1.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1jgt h LEU 481 CO 0.10 0.93 0.01 0.15 0.09 0.00 0.00 178.44 179.72 1jgt h PHE 482 N 0.39 0.47 -0.47 1.13 3.04 -0.90 -0.83 116.94 119.77 1jgt h PHE 482 Ca 0.02 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1jgt h PHE 482 Cb 0.99 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 1jgt h PHE 482 CO 0.04 0.59 0.28 -0.44 -2.02 0.00 0.00 178.31 176.75 1jgt h ASP 483 N 0.22 0.55 0.05 0.41 3.32 -1.24 0.12 116.42 119.85 1jgt h ASP 483 Ca 0.07 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1jgt h ASP 483 Cb 0.39 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1jgt h ASP 483 CO 0.01 0.43 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.33 1jgt h LEU 484 N 0.64 0.40 0.04 1.55 3.38 -1.26 0.49 115.31 120.55 1jgt h LEU 484 Ca 0.17 -0.86 -0.19 0.00 0.09 0.00 0.00 57.88 57.08 1jgt h LEU 484 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1jgt h LEU 484 CO -0.03 1.22 -1.03 0.71 0.09 0.00 0.00 178.44 179.40 1jgt h THR 485 N -0.36 1.16 0.13 0.22 1.35 -1.04 -1.54 112.91 112.83 1jgt h THR 485 Ca -0.09 -2.30 -0.32 0.00 -0.55 0.00 0.00 66.41 63.16 1jgt h THR 485 Cb 1.35 2.67 -0.00 0.00 -1.73 0.00 0.00 68.15 70.44 1jgt h THR 485 CO 0.11 0.52 -1.63 0.58 -0.25 0.00 0.00 175.52 174.85 1jgt h VAL 486 N -0.75 0.91 0.00 6.82 2.07 -1.00 -3.25 116.25 121.05 1jgt h VAL 486 Ca -0.25 -2.41 -0.21 0.00 0.82 0.00 0.00 66.70 64.65 1jgt h VAL 486 Cb 1.40 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 33.79 1jgt h VAL 486 CO -0.07 0.77 -1.46 1.23 0.02 0.00 0.00 177.57 178.07 1jgt h GLY 487 N 0.40 0.00 0.35 2.17 0.00 -1.28 -3.39 103.07 101.31 1jgt h GLY 487 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1jgt h GLY 487 CO 0.08 0.00 -1.17 0.61 0.00 0.00 0.00 176.54 176.06 1jgt n GLY 488 N 1.44 -1.12 2.05 4.60 0.00 0.17 -4.96 105.19 107.38 1jgt n GLY 488 Ca -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1jgt n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 489 N 1.39 0.34 3.85 -0.02 0.00 -1.13 -4.96 105.19 104.66 1jgt n GLY 489 Ca 0.02 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 1jgt n GLY 489 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jgt s ARG 490 N -3.67 3.39 0.20 1.61 6.06 -0.59 -5.02 118.95 120.93 1jgt s ARG 490 Ca 0.00 -0.17 -0.27 0.00 -2.50 0.00 0.00 55.73 52.79 1jgt s ARG 490 Cb 0.00 -3.14 -0.08 0.00 0.06 0.00 0.00 34.95 31.79 1jgt s ARG 490 CO 0.00 0.76 0.84 -1.58 -2.50 0.00 0.00 175.30 172.82 1jgt s HIS 491 N -0.99 3.93 0.37 5.12 5.65 -1.26 -4.14 115.29 123.97 1jgt s HIS 491 Ca 0.15 1.74 0.20 0.00 0.25 0.00 0.00 55.06 57.40 1jgt s HIS 491 Cb -0.12 -2.85 1.25 0.00 -1.18 0.00 0.00 32.58 29.69 1jgt s HIS 491 CO 0.04 0.48 1.63 -1.35 -0.65 0.00 0.00 174.74 174.89 1jgt h PRO 492 N 4.20 0.16 -0.45 2.88 0.11 -1.95 0.64 132.00 137.59 1jgt h PRO 492 Ca -0.46 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1jgt h PRO 492 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1jgt h PRO 492 CO 0.67 0.10 0.31 0.77 -0.21 0.00 0.00 178.00 179.64 1jgt h SER 493 N 0.16 0.21 0.35 -2.05 0.02 -1.97 -1.23 113.55 109.03 1jgt h SER 493 Ca 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 1jgt h SER 493 Cb 2.06 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.56 1jgt h SER 493 CO -0.62 0.13 -0.11 -0.62 -1.14 0.00 0.00 176.83 174.47 1jgt n GLU 494 N -4.46 0.71 -3.10 3.45 1.02 0.22 -4.85 120.64 113.63 1jgt n GLU 494 Ca 0.07 -0.25 -0.40 0.00 -0.02 0.00 0.00 57.16 56.56 1jgt n GLU 494 Cb 0.36 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 1jgt n GLU 494 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jgt s VAL 495 N -2.46 5.02 -1.22 2.62 1.01 -0.47 -4.98 120.40 119.91 1jgt s VAL 495 Ca 0.29 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 1jgt s VAL 495 Cb 0.20 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1jgt s VAL 495 CO 0.47 0.12 1.53 -0.62 0.00 0.00 0.00 175.10 176.60 1jgt s ASP 496 N 1.14 6.95 0.25 3.32 -1.08 -1.26 -4.84 116.67 121.15 1jgt s ASP 496 Ca 0.30 -2.70 -0.03 0.00 -0.52 0.00 0.00 52.55 49.60 1jgt s ASP 496 Cb -0.16 -2.47 0.48 0.00 -1.46 0.00 0.00 42.92 39.31 1jgt s ASP 496 CO 0.11 -0.94 1.76 0.74 0.52 0.00 0.00 175.17 177.36 1jgt h THR 497 N 5.11 0.73 -0.21 1.71 2.02 -1.93 -1.66 112.91 118.67 1jgt h THR 497 Ca 0.35 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.37 1jgt h THR 497 Cb 0.88 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1jgt h THR 497 CO 1.32 0.10 0.00 0.44 0.37 0.00 0.00 175.52 177.76 1jgt h ASP 498 N 0.57 -0.08 -0.54 4.18 3.45 -1.99 -0.68 116.42 121.34 1jgt h ASP 498 Ca 0.43 0.05 0.06 0.00 0.43 0.00 0.00 57.03 57.99 1jgt h ASP 498 Cb 0.59 0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.39 1jgt h ASP 498 CO -0.36 -0.01 0.25 -0.78 -1.57 0.00 0.00 179.24 176.78 1jgt h ASP 499 N 0.07 0.34 0.19 6.45 3.58 -1.74 0.17 116.42 125.48 1jgt h ASP 499 Ca 0.10 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.60 1jgt h ASP 499 Cb 0.13 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1jgt h ASP 499 CO -0.17 0.23 -0.22 0.58 -2.88 0.00 0.00 179.24 176.79 1jgt h VAL 500 N 0.49 0.52 -0.70 2.25 2.07 -0.82 0.26 116.25 120.33 1jgt h VAL 500 Ca 0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1jgt h VAL 500 Cb 0.19 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jgt h VAL 500 CO -0.19 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.30 1jgt h VAL 501 N -0.45 1.23 -0.44 2.57 2.07 -0.79 -0.31 116.25 120.13 1jgt h VAL 501 Ca 0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jgt h VAL 501 Cb 0.44 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1jgt h VAL 501 CO -0.07 0.28 0.28 -0.09 0.02 0.00 0.00 177.57 177.98 1jgt h ARG 502 N 0.97 0.58 0.02 1.57 2.43 -0.43 -1.11 114.38 118.42 1jgt h ARG 502 Ca 0.24 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1jgt h ARG 502 Cb 0.13 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1jgt h ARG 502 CO -0.03 0.41 -0.04 1.03 -1.51 0.00 0.00 179.97 179.83 1jgt h SER 503 N 0.59 -0.11 -0.73 -3.80 0.87 0.09 -0.25 113.55 110.20 1jgt h SER 503 Ca 0.16 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1jgt h SER 503 Cb -0.04 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1jgt h SER 503 CO -0.03 -0.06 0.45 0.58 -0.53 0.00 0.00 176.83 177.24 1jgt h VAL 504 N -0.08 1.08 -0.29 2.23 2.07 -0.86 -2.36 116.25 118.04 1jgt h VAL 504 Ca 0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jgt h VAL 504 Cb 0.09 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1jgt h VAL 504 CO -0.03 0.16 0.15 0.00 0.02 0.00 0.00 177.57 177.87 1jgt h ALA 505 N 1.32 0.37 0.00 1.67 0.00 -0.90 -1.68 119.26 120.05 1jgt h ALA 505 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jgt h ALA 505 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jgt h ALA 505 CO -0.12 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1jgt n ASP 506 N -4.82 0.26 -0.25 0.00 10.43 -0.13 -0.86 116.55 121.18 1jgt n ASP 506 Ca -0.02 0.61 0.05 0.00 2.57 0.00 0.00 54.79 58.00 1jgt n ASP 506 Cb 0.08 -0.65 0.01 0.00 1.84 0.00 0.00 41.12 42.40 1jgt n ASP 506 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1jgt n ARG 507 N -1.84 1.80 0.00 -1.24 1.74 -0.86 -5.08 116.66 111.18 1jgt n ARG 507 Ca -0.00 -0.68 0.14 0.00 -0.77 0.00 0.00 57.85 56.53 1jgt n ARG 507 Cb 0.04 -1.09 0.52 0.00 -1.02 0.00 0.00 32.46 30.91 1jgt n ARG 507 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52