#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djg s ALA 19 N 0.00 3.48 -0.13 3.52 0.00 -1.03 -4.90 121.76 122.70 3djg s ALA 19 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 3djg s ALA 19 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3djg s ALA 19 CO 0.00 -0.60 0.13 -1.12 0.00 0.00 0.00 175.76 174.17 3djg s SER 20 N 1.12 6.32 0.36 0.00 0.01 -1.26 -1.34 113.70 118.91 3djg s SER 20 Ca 0.40 0.41 0.06 0.00 1.31 0.00 0.00 55.95 58.13 3djg s SER 20 Cb -0.17 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 3djg s SER 20 CO 0.14 0.36 0.02 -0.31 0.41 0.00 0.00 173.24 173.86 3djg s TYR 21 N -0.75 2.22 0.14 2.43 2.02 -0.48 -4.97 117.35 117.96 3djg s TYR 21 Ca 0.14 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 3djg s TYR 21 Cb -0.12 -1.49 -0.11 0.00 -0.40 0.00 0.00 41.96 39.84 3djg s TYR 21 CO 0.03 0.24 1.32 -0.44 -1.57 0.00 0.00 175.55 175.13 3djg h ASP 22 N 1.98 0.12 -3.20 2.29 3.32 -1.17 -3.36 116.42 116.40 3djg h ASP 22 Ca -0.42 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.34 3djg h ASP 22 Cb 1.24 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 3djg h ASP 22 CO 0.74 1.01 -0.44 -0.47 -1.72 0.00 0.00 179.24 178.36 3djg s TYR 23 N -2.91 -0.43 -0.12 4.55 5.04 -1.06 -3.91 117.35 118.50 3djg s TYR 23 Ca -0.01 0.97 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 3djg s TYR 23 Cb 0.10 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.52 3djg s TYR 23 CO 0.82 -0.29 -0.20 -1.17 -1.34 0.00 0.00 175.55 173.37 3djg s LEU 24 N 1.55 1.98 -0.18 6.97 2.96 -0.82 -2.17 118.68 128.98 3djg s LEU 24 Ca -0.07 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3djg s LEU 24 Cb -0.10 -1.32 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 3djg s LEU 24 CO -0.10 0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.19 3djg s VAL 25 N 0.79 2.78 -0.45 1.68 1.01 -0.52 -0.64 120.40 125.05 3djg s VAL 25 Ca -0.09 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 3djg s VAL 25 Cb -0.16 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3djg s VAL 25 CO -0.00 0.49 0.45 -0.63 0.00 0.00 0.00 175.10 175.42 3djg s ILE 26 N 1.05 5.09 0.00 2.22 1.01 0.92 -0.48 121.20 131.02 3djg s ILE 26 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3djg s ILE 26 Cb -0.15 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3djg s ILE 26 CO -0.03 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.00 3djg n GLY 27 N 5.15 3.19 2.81 6.18 0.00 0.39 -0.27 105.19 122.63 3djg n GLY 27 Ca -0.08 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 3djg n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djg n GLY 28 N 0.67 5.63 0.00 -0.02 0.00 -1.22 -4.22 105.19 106.03 3djg n GLY 28 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.49 3djg n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djg n GLY 29 N -0.54 2.10 0.13 -0.02 0.00 -1.26 -0.49 105.19 105.10 3djg n GLY 29 Ca 0.51 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 3djg n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3djg h SER 30 N 0.00 -0.25 -0.15 1.61 0.02 -1.94 -1.69 113.55 111.15 3djg h SER 30 Ca 0.00 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3djg h SER 30 Cb 0.00 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3djg h SER 30 CO 0.00 -0.10 -0.10 1.23 -1.14 0.00 0.00 176.83 176.71 3djg h GLY 31 N -0.07 0.37 0.89 -3.77 0.00 -1.87 -2.35 103.07 96.27 3djg h GLY 31 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3djg h GLY 31 CO -0.18 0.32 0.06 -1.33 0.00 0.00 0.00 176.54 175.41 3djg h GLY 32 N -0.00 0.22 1.01 4.60 0.00 -1.72 -1.95 103.07 105.23 3djg h GLY 32 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3djg h GLY 32 CO 0.03 0.11 0.34 1.41 0.00 0.00 0.00 176.54 178.43 3djg h LEU 33 N 0.09 0.92 -0.53 3.11 3.38 -1.37 -0.93 115.31 119.98 3djg h LEU 33 Ca 0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3djg h LEU 33 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3djg h LEU 33 CO -0.01 0.79 0.01 0.00 0.09 0.00 0.00 178.44 179.33 3djg h ALA 34 N 1.16 0.71 -0.11 1.53 0.00 -1.34 -1.18 119.26 120.03 3djg h ALA 34 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3djg h ALA 34 Cb 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3djg h ALA 34 CO -0.03 0.52 -0.01 1.03 0.00 0.00 0.00 179.25 180.75 3djg h SER 35 N 0.80 0.21 -0.62 0.00 0.87 -1.17 -2.33 113.55 111.31 3djg h SER 35 Ca 0.15 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3djg h SER 35 Cb 0.51 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3djg h SER 35 CO 0.02 0.50 0.40 0.00 -0.53 0.00 0.00 176.83 177.22 3djg h ALA 36 N 0.72 0.79 -0.59 6.23 0.00 -1.10 -0.90 119.26 124.40 3djg h ALA 36 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3djg h ALA 36 Cb 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3djg h ALA 36 CO 0.01 0.18 0.28 0.00 0.00 0.00 0.00 179.25 179.72 3djg h ARG 37 N 0.80 0.86 -0.20 0.00 3.08 -1.18 -1.00 114.38 116.74 3djg h ARG 37 Ca 0.23 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 3djg h ARG 37 Cb -0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 3djg h ARG 37 CO -0.07 0.70 -0.61 -0.09 -1.07 0.00 0.00 179.97 178.83 3djg h ARG 38 N 0.81 0.67 -0.70 0.04 9.65 -1.23 -2.19 114.38 121.43 3djg h ARG 38 Ca 0.20 -0.46 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 3djg h ARG 38 Cb 0.13 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3djg h ARG 38 CO -0.02 1.08 0.41 0.00 2.80 0.00 0.00 179.97 184.23 3djg h ALA 39 N 0.82 0.90 -0.61 2.80 0.00 -0.99 -2.71 119.26 119.47 3djg h ALA 39 Ca -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3djg h ALA 39 Cb 1.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3djg h ALA 39 CO 0.12 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.90 3djg h ALA 40 N 1.21 1.11 -0.10 0.00 0.00 -1.00 -0.88 119.26 119.59 3djg h ALA 40 Ca 0.25 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3djg h ALA 40 Cb -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3djg h ALA 40 CO -0.04 0.60 0.07 0.93 0.00 0.00 0.00 179.25 180.80 3djg h GLU 41 N 0.91 0.07 -0.06 0.00 5.08 -1.13 -0.49 114.58 118.95 3djg h GLU 41 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3djg h GLU 41 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3djg h GLU 41 CO 0.00 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 3djg n LEU 42 N -4.52 1.33 0.00 1.33 4.77 -0.62 -4.91 117.00 114.37 3djg n LEU 42 Ca -0.01 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3djg n LEU 42 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3djg n LEU 42 CO 0.34 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3djg n GLY 43 N 1.12 0.52 3.77 -0.72 0.00 -0.19 -4.96 105.19 104.72 3djg n GLY 43 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3djg n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg s ALA 44 N -2.00 3.29 -0.48 4.61 0.00 -0.43 -4.95 121.76 121.80 3djg s ALA 44 Ca 0.00 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 3djg s ALA 44 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3djg s ALA 44 CO 0.00 -0.75 0.90 1.03 0.00 0.00 0.00 175.76 176.94 3djg s ARG 45 N -2.16 3.46 0.16 0.00 0.52 -1.26 -4.26 118.95 115.41 3djg s ARG 45 Ca 0.55 0.00 0.11 0.00 -0.52 0.00 0.00 55.73 55.88 3djg s ARG 45 Cb -0.37 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.10 3djg s ARG 45 CO 0.48 -1.26 -0.25 0.00 0.02 0.00 0.00 175.30 174.30 3djg s ALA 46 N 3.69 2.49 0.02 2.13 0.00 -1.26 -0.59 121.76 128.23 3djg s ALA 46 Ca 0.34 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3djg s ALA 46 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3djg s ALA 46 CO 0.24 0.49 -0.05 0.00 0.00 0.00 0.00 175.76 176.44 3djg s ALA 47 N -1.39 0.36 -0.09 0.00 0.00 -0.92 -2.36 121.76 117.36 3djg s ALA 47 Ca 0.18 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3djg s ALA 47 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3djg s ALA 47 CO 0.08 0.01 -0.20 0.08 0.00 0.00 0.00 175.76 175.73 3djg s VAL 48 N -0.71 2.43 -0.19 0.00 1.01 0.38 -1.44 120.40 121.86 3djg s VAL 48 Ca -0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3djg s VAL 48 Cb -0.05 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3djg s VAL 48 CO -0.00 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.07 3djg s VAL 49 N 0.14 5.19 -0.08 2.92 1.01 0.37 -0.23 120.40 129.73 3djg s VAL 49 Ca -0.11 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3djg s VAL 49 Cb -0.16 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.90 3djg s VAL 49 CO 0.06 0.45 0.16 -0.70 0.00 0.00 0.00 175.10 175.08 3djg s GLU 50 N 0.34 0.09 0.22 2.72 2.56 -0.63 -0.46 118.70 123.54 3djg s GLU 50 Ca 0.06 0.46 0.23 0.00 0.00 0.00 0.00 54.97 55.72 3djg s GLU 50 Cb -0.11 -0.20 0.19 0.00 2.00 0.00 0.00 34.13 36.01 3djg s GLU 50 CO -0.01 -0.21 1.25 0.66 -0.56 0.00 0.00 175.26 176.39 3djg h SER 51 N 7.61 0.00 0.00 -1.70 4.64 -1.82 -1.94 113.55 120.34 3djg h SER 51 Ca -0.33 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3djg h SER 51 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3djg h SER 51 CO 0.33 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.73 3djg n HIS 52 N -2.56 0.00 -4.62 4.77 8.25 -1.26 -4.65 115.22 115.15 3djg n HIS 52 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 3djg n HIS 52 Cb 0.51 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.50 3djg n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3djg s LYS 53 N 2.26 3.09 0.54 -0.41 1.02 -1.26 -5.05 119.74 119.94 3djg s LYS 53 Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 3djg s LYS 53 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3djg s LYS 53 CO 0.00 0.47 1.32 1.28 -0.92 0.00 0.00 175.35 177.50 3djg n LEU 54 N 2.82 5.29 0.00 3.17 4.77 -1.26 -2.68 117.00 129.11 3djg n LEU 54 Ca -0.18 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 3djg n LEU 54 Cb 0.53 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3djg n LEU 54 CO 0.29 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 3djg n GLY 55 N 0.80 3.48 7.00 -0.72 0.00 0.35 -4.78 105.19 111.32 3djg n GLY 55 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3djg n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djg n GLY 56 N -1.91 1.46 0.18 -0.02 0.00 -1.09 -2.94 105.19 100.88 3djg n GLY 56 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 3djg n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3djg h THR 57 N 0.00 1.20 -0.17 2.61 2.02 -1.94 -2.42 112.91 114.22 3djg h THR 57 Ca 0.00 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.57 3djg h THR 57 Cb 0.00 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 3djg h THR 57 CO 0.00 0.23 -0.43 0.00 0.37 0.00 0.00 175.52 175.69 3djg h VAL 59 N -0.47 1.37 0.12 0.00 2.07 -1.59 -1.36 116.25 116.40 3djg h VAL 59 Ca 0.08 -1.52 -0.33 0.00 0.82 0.00 0.00 66.70 65.75 3djg h VAL 59 Cb 0.62 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3djg h VAL 59 CO -0.43 0.45 -1.71 0.78 0.02 0.00 0.00 177.57 176.68 3djg h ASN 60 N 0.01 0.41 -0.08 0.57 2.35 -1.33 -3.40 115.58 114.11 3djg h ASN 60 Ca 0.01 -0.88 -0.19 0.00 -0.55 0.00 0.00 56.30 54.69 3djg h ASN 60 Cb 0.85 -0.13 -0.35 0.00 0.05 0.00 0.00 38.32 38.73 3djg h ASN 60 CO 0.06 1.74 -0.95 1.33 -1.65 0.00 0.00 177.43 177.97 3djg n VAL 61 N -3.73 0.25 0.00 2.81 0.24 -0.62 -4.87 118.33 112.42 3djg n VAL 61 Ca -0.29 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 3djg n VAL 61 Cb 0.98 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.35 3djg n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3djg n GLY 62 N 0.16 3.89 0.38 7.63 0.00 0.32 -4.81 105.19 112.77 3djg n GLY 62 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 3djg n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg h VAL 64 N -0.19 0.18 0.00 0.00 2.07 -1.52 -0.95 116.25 115.84 3djg h VAL 64 Ca 0.21 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3djg h VAL 64 Cb 0.56 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3djg h VAL 64 CO -0.72 0.03 -0.03 1.55 0.02 0.00 0.00 177.57 178.43 3djg h PRO 65 N -1.11 0.00 -0.40 1.57 0.13 -1.76 -1.47 132.00 128.96 3djg h PRO 65 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3djg h PRO 65 Cb 0.60 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 3djg h PRO 65 CO 0.12 0.03 0.08 -0.22 -0.23 0.00 0.00 178.00 177.78 3djg h LYS 66 N 0.00 0.65 -0.65 0.86 3.11 -1.11 -2.39 116.57 117.05 3djg h LYS 66 Ca -0.00 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.61 3djg h LYS 66 Cb 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 3djg h LYS 66 CO 0.00 0.68 0.15 -0.22 -2.81 0.00 0.00 179.45 177.26 3djg h LYS 67 N 0.51 1.03 -0.51 1.90 1.63 -0.27 0.13 116.57 120.97 3djg h LYS 67 Ca 0.12 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.73 3djg h LYS 67 Cb 0.34 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3djg h LYS 67 CO 0.00 0.91 0.27 0.28 -3.45 0.00 0.00 179.45 177.47 3djg h VAL 68 N 0.98 0.98 -0.18 2.00 2.07 -1.17 -0.01 116.25 120.91 3djg h VAL 68 Ca 0.21 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 3djg h VAL 68 Cb 0.35 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3djg h VAL 68 CO 0.00 0.10 -0.39 0.24 0.02 0.00 0.00 177.57 177.54 3djg h MET 69 N 0.53 0.41 -0.44 1.57 2.86 -0.85 -1.87 114.93 117.15 3djg h MET 69 Ca 0.22 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3djg h MET 69 Cb 0.11 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3djg h MET 69 CO -0.14 0.74 0.23 2.35 1.06 0.00 0.00 176.91 181.15 3djg h TRP 70 N 0.35 0.61 -0.49 -0.22 7.01 -0.46 -0.38 115.95 122.38 3djg h TRP 70 Ca 0.03 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 3djg h TRP 70 Cb 0.84 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 3djg h TRP 70 CO 0.02 0.48 0.26 -0.91 -2.79 0.00 0.00 178.44 175.50 3djg h ASN 71 N 0.57 0.59 -0.39 2.65 2.35 -0.70 0.59 115.58 121.25 3djg h ASN 71 Ca 0.15 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3djg h ASN 71 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3djg h ASN 71 CO -0.02 0.49 0.05 0.74 -1.65 0.00 0.00 177.43 177.03 3djg h THR 72 N 0.67 1.25 -0.71 2.81 2.02 -0.93 -2.05 112.91 115.97 3djg h THR 72 Ca 0.17 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 3djg h THR 72 Cb 0.03 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3djg h THR 72 CO -0.03 0.31 0.24 0.00 0.37 0.00 0.00 175.52 176.41 3djg h ALA 73 N 0.91 0.92 -0.88 6.16 0.00 -0.31 -2.33 119.26 123.73 3djg h ALA 73 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3djg h ALA 73 Cb 0.39 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3djg h ALA 73 CO 0.01 0.58 0.57 0.28 0.00 0.00 0.00 179.25 180.69 3djg h VAL 74 N 1.03 1.15 -0.79 0.00 2.07 -0.78 -2.09 116.25 116.85 3djg h VAL 74 Ca 0.23 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.46 3djg h VAL 74 Cb 0.27 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 3djg h VAL 74 CO -0.01 0.20 0.44 0.45 0.02 0.00 0.00 177.57 178.67 3djg h HIS 75 N 1.11 0.80 -0.77 1.57 3.86 -0.94 -1.93 115.15 118.85 3djg h HIS 75 Ca 0.35 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.64 3djg h HIS 75 Cb -0.01 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.16 3djg h HIS 75 CO -0.02 0.33 0.47 1.03 0.86 0.00 0.00 177.93 180.61 3djg h SER 76 N 0.75 0.75 -0.70 2.45 0.87 -0.87 -0.89 113.55 115.92 3djg h SER 76 Ca 0.38 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 3djg h SER 76 Cb 0.33 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3djg h SER 76 CO -0.24 0.50 0.29 -0.33 -0.53 0.00 0.00 176.83 176.52 3djg h GLU 77 N 0.89 1.04 0.00 2.24 5.08 -1.03 -2.42 114.58 120.38 3djg h GLU 77 Ca 0.33 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3djg h GLU 77 Cb 0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3djg h GLU 77 CO -0.15 0.85 -0.34 0.74 -1.00 0.00 0.00 179.01 179.11 3djg h PHE 78 N 1.00 0.00 -0.94 4.33 0.04 -1.13 -2.03 116.94 118.20 3djg h PHE 78 Ca 0.24 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.06 3djg h PHE 78 Cb 0.19 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 3djg h PHE 78 CO 0.01 0.34 0.61 1.98 -0.60 0.00 0.00 178.31 180.66 3djg h MET 79 N 0.00 1.08 0.00 1.51 1.85 -0.68 -2.36 114.93 116.32 3djg h MET 79 Ca -0.00 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 3djg h MET 79 Cb 0.64 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 3djg h MET 79 CO 0.04 0.71 -0.17 0.45 -0.40 0.00 0.00 176.91 177.55 3djg h HIS 80 N 1.11 0.00 -0.02 1.39 3.86 -1.06 -2.71 115.15 117.73 3djg h HIS 80 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3djg h HIS 80 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3djg h HIS 80 CO -0.00 0.17 -0.06 -0.25 0.86 0.00 0.00 177.93 178.64 3djg n ASP 81 N -4.31 2.18 -0.15 2.45 8.00 -0.92 -4.57 116.55 119.23 3djg n ASP 81 Ca -0.02 -1.68 -0.05 0.00 0.71 0.00 0.00 54.79 53.75 3djg n ASP 81 Cb 0.23 0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.43 3djg n ASP 81 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3djg h HIS 82 N 3.33 0.41 -0.24 1.24 2.76 -1.16 -2.37 115.15 119.11 3djg h HIS 82 Ca 0.00 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 3djg h HIS 82 Cb 0.75 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 3djg h HIS 82 CO 0.00 0.19 -0.35 0.00 -1.30 0.00 0.00 177.93 176.47 3djg h ALA 83 N 1.27 0.94 -0.36 5.26 0.00 -1.81 -1.97 119.26 122.59 3djg h ALA 83 Ca 0.21 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3djg h ALA 83 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3djg h ALA 83 CO -0.17 0.62 0.25 -0.44 0.00 0.00 0.00 179.25 179.51 3djg h ASP 84 N 0.45 0.20 -0.49 0.00 3.32 -1.73 -1.89 116.42 116.28 3djg h ASP 84 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3djg h ASP 84 Cb 0.82 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3djg h ASP 84 CO 0.07 0.13 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 3djg n TYR 85 N -4.47 1.04 0.00 4.55 4.01 -0.79 -4.86 117.16 116.64 3djg n TYR 85 Ca 0.05 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 3djg n TYR 85 Cb 0.27 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3djg n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3djg n GLY 86 N 0.98 0.74 3.85 2.72 0.00 -0.71 -5.07 105.19 107.70 3djg n GLY 86 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3djg n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3djg s PHE 87 N -2.00 2.82 0.41 1.61 0.08 -0.93 -5.02 117.98 114.94 3djg s PHE 87 Ca 0.00 -0.38 -0.24 0.00 0.12 0.00 0.00 56.93 56.43 3djg s PHE 87 Cb 0.00 -1.92 -0.09 0.00 -0.57 0.00 0.00 43.02 40.45 3djg s PHE 87 CO 0.00 0.09 1.08 -2.14 -0.10 0.00 0.00 175.22 174.15 3djg s PRO 88 N -4.03 4.10 0.60 0.24 0.02 -1.26 -3.91 135.00 130.76 3djg s PRO 88 Ca 0.43 1.58 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 3djg s PRO 88 Cb -0.04 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 3djg s PRO 88 CO 0.27 -0.22 1.10 -1.54 -0.33 0.00 0.00 177.00 176.28 3djg s SER 89 N -1.49 5.48 -0.04 2.53 1.04 -1.26 -4.60 113.70 115.36 3djg s SER 89 Ca 0.59 2.01 0.03 0.00 0.48 0.00 0.00 55.95 59.05 3djg s SER 89 Cb -0.24 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 3djg s SER 89 CO 0.30 -1.37 -0.10 0.00 0.98 0.00 0.00 173.24 173.04 3djg h GLU 91 N 5.07 -0.27 -4.44 0.00 -0.00 -1.98 -3.49 114.58 109.47 3djg h GLU 91 Ca -0.48 0.02 -0.21 0.00 -0.00 0.00 0.00 59.36 58.69 3djg h GLU 91 Cb 1.16 0.06 0.12 0.00 -0.00 0.00 0.00 28.75 30.09 3djg h GLU 91 CO 0.52 0.05 -0.52 0.41 -0.00 0.00 0.00 179.01 179.47 3djg n GLY 92 N -0.28 -0.14 3.60 1.06 0.00 -1.26 -4.98 105.19 103.19 3djg n GLY 92 Ca -0.09 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3djg n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djg s LYS 93 N -4.75 3.48 0.25 1.61 2.20 -1.26 -4.99 119.74 116.28 3djg s LYS 93 Ca 0.05 1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 56.65 3djg s LYS 93 Cb -0.01 -4.12 -0.10 0.00 -1.51 0.00 0.00 37.83 32.10 3djg s LYS 93 CO 0.48 -1.68 1.34 0.12 -0.36 0.00 0.00 175.35 175.25 3djg s PHE 94 N 6.16 3.14 -0.45 4.03 5.36 -1.26 -5.01 117.98 129.95 3djg s PHE 94 Ca 0.72 1.23 -0.09 0.00 -0.96 0.00 0.00 56.93 57.83 3djg s PHE 94 Cb -0.20 -3.68 0.11 0.00 -0.34 0.00 0.00 43.02 38.91 3djg s PHE 94 CO 0.33 -2.07 0.32 1.21 -1.46 0.00 0.00 175.22 173.55 3djg s ASN 95 N 0.08 5.68 0.33 6.13 3.84 -1.26 -4.95 114.94 124.79 3djg s ASN 95 Ca 0.55 -1.78 0.02 0.00 0.21 0.00 0.00 52.86 51.86 3djg s ASN 95 Cb -0.39 -2.00 0.57 0.00 -0.55 0.00 0.00 41.25 38.87 3djg s ASN 95 CO 0.44 -0.64 1.94 -0.25 -2.79 0.00 0.00 177.10 175.79 3djg h TRP 96 N 8.44 0.77 -0.36 0.43 2.91 -1.95 -2.84 115.95 123.35 3djg h TRP 96 Ca -0.22 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.71 3djg h TRP 96 Cb 1.08 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 3djg h TRP 96 CO 0.63 0.57 -0.06 0.00 -1.03 0.00 0.00 178.44 178.54 3djg h ARG 97 N 0.78 0.59 0.28 2.65 3.08 -1.93 -0.58 114.38 119.26 3djg h ARG 97 Ca 0.19 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3djg h ARG 97 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3djg h ARG 97 CO -0.03 0.66 -0.22 0.28 -1.07 0.00 0.00 179.97 179.60 3djg h VAL 98 N 0.55 0.54 -0.03 2.04 2.07 -1.89 -1.79 116.25 117.74 3djg h VAL 98 Ca 0.11 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.44 3djg h VAL 98 Cb 0.45 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3djg h VAL 98 CO 0.02 0.00 -0.81 -0.29 0.02 0.00 0.00 177.57 176.51 3djg h ILE 99 N -0.50 1.43 -0.27 4.57 6.09 -1.61 -2.70 117.51 124.53 3djg h ILE 99 Ca -0.02 -2.37 0.00 0.00 -1.37 0.00 0.00 64.86 61.10 3djg h ILE 99 Cb 0.44 2.30 -0.01 0.00 0.47 0.00 0.00 36.82 40.02 3djg h ILE 99 CO -0.01 0.70 0.17 0.50 -3.07 0.00 0.00 178.15 176.44 3djg h LYS 100 N 0.18 0.34 -0.50 2.19 3.64 -0.95 0.33 116.57 121.79 3djg h LYS 100 Ca -0.04 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3djg h LYS 100 Cb 1.41 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 3djg h LYS 100 CO 0.13 0.22 0.29 0.93 -2.27 0.00 0.00 179.45 178.76 3djg h GLU 101 N 0.35 0.57 -0.34 1.90 5.08 -1.24 -0.11 114.58 120.79 3djg h GLU 101 Ca 0.10 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3djg h GLU 101 Cb -0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3djg h GLU 101 CO -0.03 0.37 -0.10 0.87 -1.00 0.00 0.00 179.01 179.13 3djg h LYS 102 N 0.58 0.57 -0.22 2.33 1.57 -1.21 -1.39 116.57 118.80 3djg h LYS 102 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3djg h LYS 102 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3djg h LYS 102 CO -0.10 0.66 0.02 -0.09 -0.57 0.00 0.00 179.45 179.37 3djg h ARG 103 N 0.53 0.39 -0.77 3.15 2.43 -0.64 -1.83 114.38 117.64 3djg h ARG 103 Ca 0.10 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3djg h ARG 103 Cb 0.49 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3djg h ARG 103 CO 0.03 0.55 0.29 -0.44 -1.51 0.00 0.00 179.97 178.89 3djg h ASP 104 N 0.17 1.07 -0.84 -3.80 3.32 -0.83 -1.60 116.42 113.91 3djg h ASP 104 Ca 0.07 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3djg h ASP 104 Cb 0.37 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3djg h ASP 104 CO 0.01 0.97 0.53 0.00 -1.72 0.00 0.00 179.24 179.03 3djg h ALA 105 N 1.15 1.07 -0.38 3.45 0.00 -1.17 -0.77 119.26 122.62 3djg h ALA 105 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3djg h ALA 105 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3djg h ALA 105 CO -0.02 0.51 0.03 -0.92 0.00 0.00 0.00 179.25 178.86 3djg h TYR 106 N 1.15 0.69 -0.60 0.00 3.20 -0.76 -0.95 116.97 119.71 3djg h TYR 106 Ca 0.31 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 62.17 3djg h TYR 106 Cb -0.09 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 37.92 3djg h TYR 106 CO -0.01 0.71 0.18 0.28 -1.64 0.00 0.00 178.16 177.68 3djg h VAL 107 N 0.48 0.71 -0.72 1.81 2.07 -1.11 -0.90 116.25 118.58 3djg h VAL 107 Ca 0.11 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3djg h VAL 107 Cb 0.41 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3djg h VAL 107 CO 0.01 0.06 0.42 0.28 0.02 0.00 0.00 177.57 178.36 3djg h SER 108 N 0.33 0.87 -0.53 0.57 0.02 -0.37 0.12 113.55 114.56 3djg h SER 108 Ca 0.31 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3djg h SER 108 Cb 0.43 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3djg h SER 108 CO -0.35 0.69 0.29 0.03 -1.14 0.00 0.00 176.83 176.35 3djg h ARG 109 N 0.98 0.54 -0.62 3.45 3.08 -0.57 -2.26 114.38 118.98 3djg h ARG 109 Ca 0.26 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 3djg h ARG 109 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3djg h ARG 109 CO -0.05 0.36 0.01 -0.07 -1.07 0.00 0.00 179.97 179.16 3djg h LEU 110 N 0.56 1.06 -0.74 3.04 3.38 -0.67 -1.36 115.31 120.58 3djg h LEU 110 Ca 0.23 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3djg h LEU 110 Cb 0.10 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 3djg h LEU 110 CO -0.14 1.10 0.33 0.78 0.09 0.00 0.00 178.44 180.60 3djg h ASN 111 N 0.99 0.38 -0.36 -0.43 -0.26 -0.46 -0.02 115.58 115.42 3djg h ASN 111 Ca 0.18 0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.90 3djg h ASN 111 Cb 0.55 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 3djg h ASN 111 CO 0.03 0.18 -0.15 0.00 -1.06 0.00 0.00 177.43 176.43 3djg h ALA 112 N 1.49 0.92 -0.24 -0.83 0.00 -0.86 -2.30 119.26 117.45 3djg h ALA 112 Ca 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3djg h ALA 112 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3djg h ALA 112 CO -0.34 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.41 3djg h ILE 113 N 0.73 1.21 -0.61 0.00 2.04 -0.69 -1.79 117.51 118.40 3djg h ILE 113 Ca 0.12 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.36 3djg h ILE 113 Cb 0.65 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 3djg h ILE 113 CO 0.05 0.22 0.29 1.88 0.00 0.00 0.00 178.15 180.59 3djg h TYR 114 N 0.20 0.52 -0.75 1.37 0.99 -0.93 0.44 116.97 118.81 3djg h TYR 114 Ca 0.07 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.84 3djg h TYR 114 Cb 0.28 -0.15 -0.04 0.00 1.00 0.00 0.00 36.73 37.83 3djg h TYR 114 CO 0.01 0.21 0.49 0.37 -0.00 0.00 0.00 178.16 179.25 3djg h GLN 115 N 0.53 0.97 -0.46 4.88 4.15 -1.32 -2.57 115.11 121.30 3djg h GLN 115 Ca 0.29 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 3djg h GLN 115 Cb 0.25 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3djg h GLN 115 CO -0.22 0.64 0.11 -0.97 -1.93 0.00 0.00 178.83 176.46 3djg h ASN 116 N 1.00 0.70 -0.99 -0.69 -0.00 -0.59 -1.97 115.58 113.04 3djg h ASN 116 Ca 0.28 -0.23 0.12 0.00 -0.00 0.00 0.00 56.30 56.46 3djg h ASN 116 Cb -0.11 -0.18 -0.08 0.00 -0.00 0.00 0.00 38.32 37.95 3djg h ASN 116 CO -0.06 0.75 0.63 0.78 -0.00 0.00 0.00 177.43 179.52 3djg h ASN 117 N 0.61 0.91 -0.19 1.15 -0.26 -0.77 -0.67 115.58 116.37 3djg h ASN 117 Ca 0.14 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.87 3djg h ASN 117 Cb 0.32 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3djg h ASN 117 CO 0.00 0.49 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.67 3djg h LEU 118 N 0.98 0.43 -0.74 1.61 3.38 -1.04 -2.79 115.31 117.13 3djg h LEU 118 Ca 0.49 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3djg h LEU 118 Cb 0.49 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3djg h LEU 118 CO -0.25 0.77 0.48 0.74 0.09 0.00 0.00 178.44 180.26 3djg h THR 119 N 0.09 1.14 0.00 0.22 2.02 -0.92 -1.67 112.91 113.79 3djg h THR 119 Ca 0.04 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 3djg h THR 119 Cb 0.62 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3djg h THR 119 CO 0.03 0.17 -0.27 0.11 0.37 0.00 0.00 175.52 175.94 3djg h LYS 120 N 0.95 0.00 -0.01 6.66 1.57 -1.16 -1.31 116.57 123.27 3djg h LYS 120 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3djg h LYS 120 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3djg h LYS 120 CO -0.09 0.27 -0.06 0.43 -0.57 0.00 0.00 179.45 179.43 3djg n SER 121 N -3.91 0.77 -2.80 0.86 7.64 -0.77 -4.93 113.62 110.48 3djg n SER 121 Ca -0.02 -1.03 -0.19 0.00 1.01 0.00 0.00 58.87 58.64 3djg n SER 121 Cb 0.35 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 3djg n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3djg n HIS 122 N -0.54 -2.01 -3.56 1.43 8.25 -0.49 -4.86 115.22 113.43 3djg n HIS 122 Ca 0.18 0.63 -0.36 0.00 -0.26 0.00 0.00 57.72 57.91 3djg n HIS 122 Cb 0.27 -4.14 -0.07 0.00 1.12 0.00 0.00 29.99 27.17 3djg n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3djg s ILE 123 N -3.17 5.32 0.21 1.59 1.01 -0.70 -4.72 121.20 120.74 3djg s ILE 123 Ca 0.37 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 3djg s ILE 123 Cb -0.16 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 3djg s ILE 123 CO 0.45 0.40 1.08 -1.61 0.00 0.00 0.00 174.94 175.26 3djg s GLU 124 N 0.42 4.64 -0.19 2.79 2.02 -0.99 -4.49 118.70 122.90 3djg s GLU 124 Ca 0.15 1.70 -0.05 0.00 0.02 0.00 0.00 54.97 56.79 3djg s GLU 124 Cb -0.13 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3djg s GLU 124 CO 0.03 0.16 0.01 0.42 0.02 0.00 0.00 175.26 175.90 3djg s ILE 125 N -0.56 4.12 -0.27 -1.63 1.01 -1.26 -0.47 121.20 122.13 3djg s ILE 125 Ca 0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 3djg s ILE 125 Cb -0.29 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.35 3djg s ILE 125 CO 0.36 0.45 -0.01 -0.63 0.00 0.00 0.00 174.94 175.11 3djg s ILE 126 N 0.73 3.20 -0.20 2.92 1.01 0.68 -4.95 121.20 124.61 3djg s ILE 126 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 3djg s ILE 126 Cb -0.14 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3djg s ILE 126 CO 0.02 0.09 0.47 -0.13 0.00 0.00 0.00 174.94 175.40 3djg s ARG 127 N 1.36 4.19 0.00 2.79 0.52 -1.26 -1.60 118.95 124.95 3djg s ARG 127 Ca -0.00 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 3djg s ARG 127 Cb -0.17 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3djg s ARG 127 CO -0.02 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.62 3djg n GLY 128 N 3.88 0.10 3.61 -3.53 0.00 -0.73 -4.91 105.19 103.61 3djg n GLY 128 Ca -0.06 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3djg n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3djg s HIS 129 N -1.31 3.25 0.15 1.61 2.46 -1.26 -2.75 115.29 117.45 3djg s HIS 129 Ca 0.00 0.22 -0.22 0.00 0.47 0.00 0.00 55.06 55.53 3djg s HIS 129 Cb 0.00 -2.40 -0.08 0.00 -0.13 0.00 0.00 32.58 29.97 3djg s HIS 129 CO 0.00 -0.12 0.71 0.00 -2.47 0.00 0.00 174.74 172.86 3djg s ALA 130 N 1.65 3.48 0.02 1.58 0.00 -1.26 -4.43 121.76 122.80 3djg s ALA 130 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3djg s ALA 130 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 3djg s ALA 130 CO 0.09 0.33 -0.03 0.00 0.00 0.00 0.00 175.76 176.16 3djg s ALA 131 N -1.23 0.11 0.53 0.00 0.00 -1.03 -4.65 121.76 115.50 3djg s ALA 131 Ca 0.36 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 3djg s ALA 131 Cb -0.21 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 3djg s ALA 131 CO 0.23 -0.13 1.05 -0.06 0.00 0.00 0.00 175.76 176.85 3djg s PHE 132 N -1.24 2.97 0.53 0.00 0.08 0.19 -0.63 117.98 119.87 3djg s PHE 132 Ca -0.14 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.54 3djg s PHE 132 Cb -0.09 -3.06 0.05 0.00 -0.57 0.00 0.00 43.02 39.35 3djg s PHE 132 CO -0.01 -1.00 0.60 0.95 -0.10 0.00 0.00 175.22 175.66 3djg s THR 133 N -2.15 2.16 -1.59 0.64 -4.23 -0.63 -4.75 115.64 105.09 3djg s THR 133 Ca 0.66 -1.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.12 3djg s THR 133 Cb -0.17 -2.35 0.49 0.00 1.34 0.00 0.00 72.50 71.81 3djg s THR 133 CO 0.27 0.00 1.37 -1.54 -0.54 0.00 0.00 174.62 174.19 3djg n SER 134 N -1.97 3.17 -4.76 3.99 3.41 -1.26 -4.73 113.62 111.46 3djg n SER 134 Ca 0.08 -2.18 -0.38 0.00 -0.26 0.00 0.00 58.87 56.13 3djg n SER 134 Cb 0.62 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3djg n SER 134 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3djg s ASP 135 N -0.87 5.68 0.01 4.04 1.01 -1.26 -4.95 116.67 120.33 3djg s ASP 135 Ca 0.35 2.66 -0.02 0.00 0.71 0.00 0.00 52.55 56.25 3djg s ASP 135 Cb 0.21 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 3djg s ASP 135 CO 0.20 -1.28 0.98 -2.65 0.21 0.00 0.00 175.17 172.63 3djg n PRO 136 N -0.66 -0.03 -3.17 8.23 -0.01 -1.26 -4.41 135.00 133.70 3djg n PRO 136 Ca 0.08 0.97 -0.38 0.00 -0.01 0.00 0.00 63.50 64.17 3djg n PRO 136 Cb 0.45 -1.46 -0.06 0.00 -0.01 0.00 0.00 33.50 32.42 3djg n PRO 136 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 3djg s LYS 137 N -3.15 4.29 -0.00 -0.52 -2.85 -1.26 -4.95 119.74 111.29 3djg s LYS 137 Ca -0.01 0.85 -0.36 0.00 -1.00 0.00 0.00 55.97 55.45 3djg s LYS 137 Cb 0.01 -3.15 -0.14 0.00 -2.06 0.00 0.00 37.83 32.49 3djg s LYS 137 CO 0.04 0.56 1.62 -2.30 0.10 0.00 0.00 175.35 175.37 3djg n PRO 138 N 1.41 1.71 -3.86 1.78 -0.02 -1.26 -4.94 135.00 129.82 3djg n PRO 138 Ca -0.07 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3djg n PRO 138 Cb 0.50 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3djg n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3djg s THR 139 N 2.08 0.01 0.27 3.45 2.01 -1.26 -4.35 115.64 117.85 3djg s THR 139 Ca 0.87 -0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.85 3djg s THR 139 Cb -0.83 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 3djg s THR 139 CO 0.49 -0.06 -0.01 0.27 -0.69 0.00 0.00 174.62 174.62 3djg s ILE 140 N -0.17 3.40 -0.05 1.82 -4.36 -0.14 -1.60 121.20 120.09 3djg s ILE 140 Ca -0.02 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.50 3djg s ILE 140 Cb -0.02 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 3djg s ILE 140 CO 0.00 -0.37 -0.22 -0.70 0.24 0.00 0.00 174.94 173.89 3djg s GLU 141 N -3.67 2.26 -0.09 0.37 2.12 0.20 -1.44 118.70 118.45 3djg s GLU 141 Ca 0.32 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 3djg s GLU 141 Cb -0.06 -1.94 0.03 0.00 0.26 0.00 0.00 34.13 32.42 3djg s GLU 141 CO 0.20 0.34 -0.02 0.08 -0.54 0.00 0.00 175.26 175.31 3djg s VAL 142 N -0.11 0.60 -1.40 3.70 1.01 0.42 -2.46 120.40 122.16 3djg s VAL 142 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 3djg s VAL 142 Cb -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3djg s VAL 142 CO 0.03 0.27 0.53 -1.20 0.00 0.00 0.00 175.10 174.72 3djg n SER 143 N 5.08 -0.83 0.00 3.32 7.64 -1.26 -1.56 113.62 126.00 3djg n SER 143 Ca -0.09 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3djg n SER 143 Cb 0.50 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 3djg n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djg n GLY 144 N -1.84 0.60 3.59 0.23 0.00 -1.26 -5.01 105.19 101.49 3djg n GLY 144 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3djg n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djg s LYS 145 N -0.38 2.48 -0.08 1.61 -0.14 -0.60 -5.11 119.74 117.52 3djg s LYS 145 Ca 0.00 -0.77 -0.03 0.00 -1.36 0.00 0.00 55.97 53.81 3djg s LYS 145 Cb 0.00 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 3djg s LYS 145 CO 0.00 0.59 0.05 0.15 -0.76 0.00 0.00 175.35 175.38 3djg s LYS 146 N -1.53 3.11 0.01 1.68 1.02 -1.26 -0.44 119.74 122.33 3djg s LYS 146 Ca 0.18 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.83 3djg s LYS 146 Cb -0.11 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3djg s LYS 146 CO 0.08 0.71 -0.06 0.71 -0.92 0.00 0.00 175.35 175.87 3djg s TYR 147 N -0.99 0.53 0.14 3.18 2.02 -0.52 -2.46 117.35 119.25 3djg s TYR 147 Ca 0.16 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3djg s TYR 147 Cb -0.12 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 3djg s TYR 147 CO 0.05 -0.03 0.00 -0.08 -1.57 0.00 0.00 175.55 173.93 3djg s THR 148 N -0.45 0.52 0.06 -0.71 -1.32 -0.45 -0.97 115.64 112.32 3djg s THR 148 Ca -0.01 -1.95 -0.27 0.00 -1.21 0.00 0.00 61.69 58.26 3djg s THR 148 Cb -0.04 -2.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.02 3djg s THR 148 CO -0.00 -0.57 0.68 0.00 -2.21 0.00 0.00 174.62 172.52 3djg s ALA 149 N -3.76 -1.70 -0.66 11.08 0.00 -1.26 -1.38 121.76 124.09 3djg s ALA 149 Ca 0.21 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.24 3djg s ALA 149 Cb 0.06 0.46 0.84 0.00 0.00 0.00 0.00 23.12 24.48 3djg s ALA 149 CO 0.01 -0.60 1.60 -0.35 0.00 0.00 0.00 175.76 176.42 3djg n PRO 150 N 0.13 0.12 -3.75 0.00 -0.04 -1.26 -4.59 135.00 125.61 3djg n PRO 150 Ca -0.17 0.38 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 3djg n PRO 150 Cb 0.62 -1.74 -0.17 0.00 -0.04 0.00 0.00 33.50 32.16 3djg n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3djg s HIS 151 N -3.21 0.30 -0.08 0.54 3.76 -1.25 -4.52 115.29 110.84 3djg s HIS 151 Ca 0.05 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3djg s HIS 151 Cb 0.09 -0.57 0.02 0.00 1.11 0.00 0.00 32.58 33.23 3djg s HIS 151 CO 0.33 -0.22 -0.05 0.42 -0.85 0.00 0.00 174.74 174.36 3djg s ILE 152 N 1.88 0.73 -0.19 0.60 1.01 -0.18 -1.93 121.20 123.11 3djg s ILE 152 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 3djg s ILE 152 Cb -0.12 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3djg s ILE 152 CO -0.04 0.30 0.05 -0.22 0.00 0.00 0.00 174.94 175.03 3djg s LEU 153 N 1.40 3.64 -0.30 2.97 2.96 0.19 -1.04 118.68 128.50 3djg s LEU 153 Ca -0.03 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 3djg s LEU 153 Cb -0.13 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3djg s LEU 153 CO -0.03 0.13 0.42 -0.63 -1.32 0.00 0.00 176.35 174.91 3djg s ILE 154 N 0.65 5.13 -0.34 6.68 1.01 0.87 -0.05 121.20 135.14 3djg s ILE 154 Ca 0.02 0.44 0.16 0.00 0.00 0.00 0.00 60.65 61.27 3djg s ILE 154 Cb -0.13 -3.80 0.43 0.00 0.01 0.00 0.00 42.46 38.97 3djg s ILE 154 CO 0.02 0.01 0.89 0.00 0.00 0.00 0.00 174.94 175.86 3djg n ALA 155 N 5.46 3.07 1.42 9.38 0.00 0.63 -2.56 120.51 137.89 3djg n ALA 155 Ca -0.07 -3.25 0.14 0.00 0.00 0.00 0.00 53.44 50.25 3djg n ALA 155 Cb 0.50 -0.93 0.48 0.00 0.00 0.00 0.00 19.45 19.50 3djg n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3djg n THR 156 N 0.03 0.00 -4.63 0.00 -2.24 -1.23 -4.44 114.28 101.77 3djg n THR 156 Ca 0.15 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3djg n THR 156 Cb 0.77 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3djg n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3djg n GLY 157 N 1.22 0.17 0.00 3.38 0.00 -1.26 -4.56 105.19 104.14 3djg n GLY 157 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3djg n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djg n GLY 158 N 0.00 4.63 3.34 -0.02 0.00 -1.26 0.06 105.19 111.94 3djg n GLY 158 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 3djg n GLY 158 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3djg s MET 159 N -1.25 1.11 0.44 1.61 0.23 0.13 -4.71 119.30 116.86 3djg s MET 159 Ca 0.00 -0.62 -0.25 0.00 -1.03 0.00 0.00 55.69 53.80 3djg s MET 159 Cb 0.00 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 33.72 3djg s MET 159 CO 0.00 -0.45 1.27 -2.14 -2.03 0.00 0.00 175.02 171.67 3djg s PRO 160 N -3.68 3.80 0.10 3.16 0.02 -1.26 -0.46 135.00 136.67 3djg s PRO 160 Ca 0.02 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 62.86 3djg s PRO 160 Cb 0.01 -2.59 -0.07 0.00 0.02 0.00 0.00 34.50 31.87 3djg s PRO 160 CO -0.11 -0.60 0.73 0.45 -0.33 0.00 0.00 177.00 177.13 3djg s SER 161 N -0.94 7.26 0.07 2.53 0.15 -0.66 -4.66 113.70 117.44 3djg s SER 161 Ca 0.61 1.50 0.04 0.00 0.70 0.00 0.00 55.95 58.79 3djg s SER 161 Cb -0.36 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.46 3djg s SER 161 CO 0.45 0.15 -0.11 0.42 1.20 0.00 0.00 173.24 175.34 3djg s THR 162 N -0.71 0.88 0.59 6.45 -4.23 -1.26 -4.60 115.64 112.76 3djg s THR 162 Ca 0.35 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.38 3djg s THR 162 Cb -0.21 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3djg s THR 162 CO 0.24 -0.35 1.25 -2.84 -0.54 0.00 0.00 174.62 172.38 3djg s PRO 163 N -1.90 2.93 0.29 3.99 0.02 -1.26 -5.00 135.00 134.07 3djg s PRO 163 Ca -0.03 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 3djg s PRO 163 Cb -0.09 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 3djg s PRO 163 CO 0.01 -1.27 1.05 -1.01 -0.33 0.00 0.00 177.00 175.45 3djg s HIS 164 N -1.50 3.63 0.58 6.54 3.76 -1.26 -4.79 115.29 122.26 3djg s HIS 164 Ca 0.77 1.75 0.28 0.00 -0.15 0.00 0.00 55.06 57.71 3djg s HIS 164 Cb -0.34 -3.17 1.58 0.00 1.11 0.00 0.00 32.58 31.76 3djg s HIS 164 CO 0.37 -0.29 2.03 1.49 -0.85 0.00 0.00 174.74 177.49 3djg h GLU 165 N 3.67 0.00 -0.12 1.40 4.57 -1.95 0.11 114.58 122.26 3djg h GLU 165 Ca -0.47 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.57 3djg h GLU 165 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 3djg h GLU 165 CO 0.66 0.00 -0.55 0.66 -1.18 0.00 0.00 179.01 178.61 3djg h SER 166 N 0.00 0.38 0.05 1.04 4.64 -1.99 -2.97 113.55 114.70 3djg h SER 166 Ca 0.14 -0.20 -0.21 0.00 -0.47 0.00 0.00 61.79 61.04 3djg h SER 166 Cb 0.72 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3djg h SER 166 CO -0.00 0.86 -1.12 -0.61 -0.87 0.00 0.00 176.83 175.09 3djg h GLN 167 N 0.27 0.10 -4.52 4.77 4.15 -1.57 -3.43 115.11 114.87 3djg h GLN 167 Ca 0.00 -0.17 -0.64 0.00 0.77 0.00 0.00 58.65 58.61 3djg h GLN 167 Cb 1.05 0.06 -0.39 0.00 0.21 0.00 0.00 27.48 28.41 3djg h GLN 167 CO 0.09 1.08 -0.75 0.42 -1.93 0.00 0.00 178.83 177.74 3djg s ILE 168 N -2.39 1.95 0.23 2.39 1.01 0.26 -4.99 121.20 119.66 3djg s ILE 168 Ca -0.24 -1.90 -0.31 0.00 0.00 0.00 0.00 60.65 58.20 3djg s ILE 168 Cb 0.04 -2.33 -0.11 0.00 0.01 0.00 0.00 42.46 40.07 3djg s ILE 168 CO 0.68 -0.42 1.62 -2.84 0.00 0.00 0.00 174.94 173.98 3djg s PRO 169 N 1.11 4.16 0.00 2.79 0.02 -1.12 -2.02 135.00 139.94 3djg s PRO 169 Ca 0.04 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3djg s PRO 169 Cb -0.19 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3djg s PRO 169 CO -0.09 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3djg n GLY 170 N 3.19 0.79 0.31 0.52 0.00 -1.26 -1.12 105.19 107.62 3djg n GLY 170 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3djg n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg h ALA 171 N 0.00 2.10 0.00 4.61 0.00 -1.69 -0.85 119.26 123.42 3djg h ALA 171 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3djg h ALA 171 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3djg h ALA 171 CO 0.00 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 3djg n SER 172 N -4.48 0.00 0.18 0.00 3.41 -1.26 -1.27 113.62 110.20 3djg n SER 172 Ca 0.03 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3djg n SER 172 Cb 0.27 -0.42 0.34 0.00 -0.26 0.00 0.00 64.21 64.15 3djg n SER 172 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3djg h LEU 173 N 0.00 0.00-10.46 1.04 3.38 -1.55 -3.45 115.31 104.28 3djg h LEU 173 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3djg h LEU 173 Cb 0.22 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.04 3djg h LEU 173 CO 0.00 0.00 0.36 -0.83 0.09 0.00 0.00 178.44 178.06 3djg s GLY 174 N -3.92 1.62 0.44 0.83 0.00 -0.40 -4.77 107.32 101.13 3djg s GLY 174 Ca 0.07 -0.41 0.07 0.00 0.00 0.00 0.00 44.72 44.45 3djg s GLY 174 CO 0.60 -0.06 0.23 -0.26 0.00 0.00 0.00 173.10 173.61 3djg s ILE 175 N -3.26 2.15 0.09 0.90 -4.36 0.51 -4.95 121.20 112.27 3djg s ILE 175 Ca 0.57 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 3djg s ILE 175 Cb -0.11 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.81 3djg s ILE 175 CO 0.50 0.00 0.03 0.35 0.24 0.00 0.00 174.94 176.06 3djg n THR 176 N -1.36 0.00 0.28 8.37 -2.24 -1.26 -0.34 114.28 117.72 3djg n THR 176 Ca -0.02 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3djg n THR 176 Cb 0.64 -0.13 0.79 0.00 -2.10 0.00 0.00 70.33 69.53 3djg n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3djg h SER 177 N 0.16 0.00 -0.48 3.42 4.64 -1.97 -0.80 113.55 118.52 3djg h SER 177 Ca -0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3djg h SER 177 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3djg h SER 177 CO 0.11 0.03 0.17 0.44 -0.87 0.00 0.00 176.83 176.71 3djg h ASP 178 N 0.00 0.69 0.40 4.97 3.32 -1.95 -2.83 116.42 121.02 3djg h ASP 178 Ca -0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3djg h ASP 178 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3djg h ASP 178 CO 0.00 0.69 -0.41 1.23 -1.72 0.00 0.00 179.24 179.03 3djg h GLY 179 N 0.64 0.02 0.72 2.75 0.00 -1.56 -2.75 103.07 102.90 3djg h GLY 179 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.55 3djg h GLY 179 CO -0.01 0.01 0.64 -2.75 0.00 0.00 0.00 176.54 174.43 3djg h PHE 180 N 0.01 1.17 -0.00 5.60 3.57 -1.08 -1.44 116.94 124.77 3djg h PHE 180 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3djg h PHE 180 Cb 0.74 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3djg h PHE 180 CO 0.00 0.59 -0.01 1.19 -2.23 0.00 0.00 178.31 177.84 3djg n PHE 181 N -4.51 0.00 0.86 0.41 3.72 -1.04 -2.41 117.46 114.49 3djg n PHE 181 Ca 0.16 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.66 3djg n PHE 181 Cb 0.21 -0.19 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 3djg n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3djg n GLN 182 N -1.14 0.09 -1.71 -1.08 6.02 -0.57 -4.98 117.38 114.01 3djg n GLN 182 Ca 0.17 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3djg n GLN 182 Cb 0.21 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 3djg n GLN 182 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3djg n LEU 183 N -1.61 3.71 -0.30 1.08 4.77 -1.01 -4.89 117.00 118.75 3djg n LEU 183 Ca 0.03 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.24 3djg n LEU 183 Cb 0.36 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 3djg n LEU 183 CO 0.43 -0.25 0.24 -0.62 -1.33 0.00 0.00 177.39 175.87 3djg n GLU 184 N 1.62 1.85 -3.87 3.23 1.02 -1.26 -5.00 120.64 118.23 3djg n GLU 184 Ca 0.08 -0.72 -0.09 0.00 -0.02 0.00 0.00 57.16 56.41 3djg n GLU 184 Cb 0.35 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 3djg n GLU 184 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3djg s GLU 185 N -1.60 0.90 -0.13 3.49 -1.05 -1.26 -4.32 118.70 114.72 3djg s GLU 185 Ca 0.11 -0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 3djg s GLU 185 Cb 0.10 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3djg s GLU 185 CO 0.32 -0.29 1.21 -1.17 0.95 0.00 0.00 175.26 176.28 3djg s LEU 186 N -2.88 4.21 0.27 1.83 2.96 -1.26 -4.99 118.68 118.82 3djg s LEU 186 Ca 0.07 1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 55.38 3djg s LEU 186 Cb 0.05 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.09 3djg s LEU 186 CO -0.09 -0.68 1.40 -2.16 -1.32 0.00 0.00 176.35 173.50 3djg s PRO 187 N 2.99 4.29 0.13 0.98 0.04 -1.26 -4.93 135.00 137.23 3djg s PRO 187 Ca 0.54 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 3djg s PRO 187 Cb -0.22 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3djg s PRO 187 CO 0.16 -0.36 1.57 0.78 0.04 0.00 0.00 177.00 179.19 3djg h GLY 188 N 4.61 0.78 -6.40 0.56 0.00 -1.94 -3.40 103.07 97.28 3djg h GLY 188 Ca -0.47 -0.58 -0.51 0.00 0.00 0.00 0.00 47.33 45.77 3djg h GLY 188 CO 0.74 0.54 -0.80 -1.60 0.00 0.00 0.00 176.54 175.42 3djg s ARG 189 N -4.98 1.50 -0.04 4.80 6.06 -1.26 -1.04 118.95 123.99 3djg s ARG 189 Ca -0.13 -0.28 0.05 0.00 -2.50 0.00 0.00 55.73 52.87 3djg s ARG 189 Cb 0.10 -1.46 -0.01 0.00 0.06 0.00 0.00 34.95 33.64 3djg s ARG 189 CO 0.80 -0.17 -0.19 -1.12 -2.50 0.00 0.00 175.30 172.12 3djg s SER 190 N 1.35 2.31 -0.16 -2.12 0.01 -0.16 -0.91 113.70 114.03 3djg s SER 190 Ca -0.02 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.88 3djg s SER 190 Cb -0.14 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.55 3djg s SER 190 CO -0.04 0.18 -0.20 -0.69 0.41 0.00 0.00 173.24 172.91 3djg s VAL 191 N -0.10 2.21 -0.10 3.43 1.01 -0.20 -1.25 120.40 125.41 3djg s VAL 191 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3djg s VAL 191 Cb -0.11 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3djg s VAL 191 CO 0.02 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.93 3djg s ILE 192 N 0.96 3.41 -0.18 2.22 1.01 -0.09 -0.85 121.20 127.69 3djg s ILE 192 Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 3djg s ILE 192 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 3djg s ILE 192 CO -0.04 0.55 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 3djg s VAL 193 N -0.19 2.91 0.00 2.92 1.01 0.20 -0.05 120.40 127.21 3djg s VAL 193 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3djg s VAL 193 Cb -0.13 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3djg s VAL 193 CO 0.03 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3djg n GLY 194 N 4.30 2.78 0.61 4.51 0.00 -0.85 -0.25 105.19 116.30 3djg n GLY 194 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3djg n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg n ALA 195 N -1.60 2.04 -2.43 4.61 0.00 -1.26 -4.64 120.51 117.23 3djg n ALA 195 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3djg n ALA 195 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3djg n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djg n GLY 196 N 0.05 4.13 0.29 0.00 0.00 -1.26 -0.46 105.19 107.94 3djg n GLY 196 Ca 0.01 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 3djg n GLY 196 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3djg h TYR 197 N 0.00 -0.69 -0.17 1.61 0.05 -1.98 -2.32 116.97 113.47 3djg h TYR 197 Ca 0.00 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 3djg h TYR 197 Cb 0.00 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3djg h TYR 197 CO 0.00 -0.35 -0.47 0.82 -1.05 0.00 0.00 178.16 177.11 3djg h ILE 198 N -0.40 1.32 -0.31 -2.88 2.04 -1.96 -1.57 117.51 113.75 3djg h ILE 198 Ca 0.06 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 3djg h ILE 198 Cb 0.48 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3djg h ILE 198 CO -0.22 0.52 0.04 0.00 0.00 0.00 0.00 178.15 178.48 3djg h ALA 199 N 1.14 0.42 -0.20 1.87 0.00 -1.76 -0.25 119.26 120.47 3djg h ALA 199 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3djg h ALA 199 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3djg h ALA 199 CO 0.08 0.13 0.01 0.28 0.00 0.00 0.00 179.25 179.75 3djg h VAL 200 N 0.35 1.24 -0.46 0.00 2.07 -1.26 -1.44 116.25 116.75 3djg h VAL 200 Ca 0.09 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3djg h VAL 200 Cb 0.37 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3djg h VAL 200 CO 0.01 0.25 0.09 -0.33 0.02 0.00 0.00 177.57 177.61 3djg h GLU 201 N 0.11 0.75 -0.17 1.57 5.08 -1.17 -2.27 114.58 118.49 3djg h GLU 201 Ca 0.06 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 3djg h GLU 201 Cb 0.37 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3djg h GLU 201 CO 0.01 0.76 -0.65 0.52 -1.00 0.00 0.00 179.01 178.65 3djg h MET 202 N 0.62 0.63 -0.62 2.33 2.86 -1.04 -1.47 114.93 118.24 3djg h MET 202 Ca 0.14 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 3djg h MET 202 Cb 0.36 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3djg h MET 202 CO 0.01 1.08 0.16 0.00 1.06 0.00 0.00 176.91 179.21 3djg h ALA 203 N 0.81 1.12 -0.53 6.32 0.00 -1.23 -0.82 119.26 124.93 3djg h ALA 203 Ca -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3djg h ALA 203 Cb 1.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3djg h ALA 203 CO 0.13 0.59 -0.04 0.78 0.00 0.00 0.00 179.25 180.71 3djg h GLY 204 N 1.03 1.01 0.51 0.00 0.00 -1.07 -1.83 103.07 102.72 3djg h GLY 204 Ca 0.20 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3djg h GLY 204 CO -0.00 0.68 -0.04 -2.22 0.00 0.00 0.00 176.54 174.95 3djg h ILE 205 N 0.85 1.15 -0.74 2.60 2.04 -0.92 -2.31 117.51 120.18 3djg h ILE 205 Ca 0.15 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3djg h ILE 205 Cb 0.55 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3djg h ILE 205 CO 0.03 0.25 0.31 -0.07 0.00 0.00 0.00 178.15 178.67 3djg h LEU 206 N -0.61 1.01 -0.38 1.44 3.38 -1.17 -2.24 115.31 116.74 3djg h LEU 206 Ca -0.01 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3djg h LEU 206 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3djg h LEU 206 CO 0.02 0.90 -0.08 -1.28 0.09 0.00 0.00 178.44 178.09 3djg h SER 207 N 1.06 0.72 -0.09 -0.43 0.87 -1.38 -0.88 113.55 113.42 3djg h SER 207 Ca 0.25 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3djg h SER 207 Cb 0.19 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3djg h SER 207 CO -0.02 0.91 -0.11 0.00 -0.53 0.00 0.00 176.83 177.07 3djg h ALA 208 N 0.84 1.34 -0.01 6.23 0.00 -1.11 -2.31 119.26 124.24 3djg h ALA 208 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3djg h ALA 208 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3djg h ALA 208 CO 0.03 0.45 -0.01 1.28 0.00 0.00 0.00 179.25 181.00 3djg n LEU 209 N -4.23 0.62 0.00 0.00 4.77 -0.87 -4.83 117.00 112.46 3djg n LEU 209 Ca 0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3djg n LEU 209 Cb 0.30 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3djg n LEU 209 CO 0.39 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3djg n GLY 210 N 1.10 0.80 3.77 -0.72 0.00 -0.87 -4.82 105.19 104.46 3djg n GLY 210 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3djg n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3djg s SER 211 N -1.34 6.93 -0.44 1.61 0.15 -0.37 -4.97 113.70 115.28 3djg s SER 211 Ca 0.00 2.33 -0.29 0.00 0.70 0.00 0.00 55.95 58.69 3djg s SER 211 Cb 0.00 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3djg s SER 211 CO 0.00 -0.39 1.30 -0.54 1.20 0.00 0.00 173.24 174.81 3djg s LYS 212 N -1.85 3.64 -0.09 5.44 1.02 -0.20 -4.31 119.74 123.38 3djg s LYS 212 Ca 0.50 0.79 0.04 0.00 0.02 0.00 0.00 55.97 57.32 3djg s LYS 212 Cb -0.32 -3.98 -0.01 0.00 -0.52 0.00 0.00 37.83 33.01 3djg s LYS 212 CO 0.41 -1.49 -0.20 0.99 -0.92 0.00 0.00 175.35 174.14 3djg s THR 213 N 5.04 2.46 0.02 2.17 2.01 -1.26 -0.98 115.64 125.09 3djg s THR 213 Ca 0.56 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.74 3djg s THR 213 Cb -0.11 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 3djg s THR 213 CO 0.32 0.56 -0.22 -0.44 -0.69 0.00 0.00 174.62 174.15 3djg s SER 214 N 0.04 3.48 -0.19 3.53 0.01 -0.38 -1.40 113.70 118.79 3djg s SER 214 Ca -0.08 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 3djg s SER 214 Cb -0.15 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.61 3djg s SER 214 CO 0.05 0.28 -0.15 -0.22 0.41 0.00 0.00 173.24 173.61 3djg s LEU 215 N -1.14 2.37 -0.26 2.44 2.96 0.74 -0.91 118.68 124.88 3djg s LEU 215 Ca 0.12 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3djg s LEU 215 Cb -0.10 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3djg s LEU 215 CO 0.02 0.00 0.11 -0.32 -1.32 0.00 0.00 176.35 174.84 3djg s MET 216 N 1.30 3.75 0.07 1.98 -2.45 0.93 -0.79 119.30 124.10 3djg s MET 216 Ca 0.04 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.11 3djg s MET 216 Cb -0.14 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 3djg s MET 216 CO -0.09 -0.18 -0.16 0.96 1.05 0.00 0.00 175.02 176.60 3djg s ILE 217 N 1.64 1.29 -0.14 10.11 -4.36 -0.47 -2.00 121.20 127.26 3djg s ILE 217 Ca 0.06 -1.29 0.23 0.00 -0.26 0.00 0.00 60.65 59.40 3djg s ILE 217 Cb -0.15 -1.19 0.25 0.00 1.25 0.00 0.00 42.46 42.61 3djg s ILE 217 CO 0.06 -0.11 1.67 0.03 0.24 0.00 0.00 174.94 176.83 3djg h ARG 218 N 4.42 0.00 0.00 0.37 3.08 -1.86 -0.50 114.38 119.89 3djg h ARG 218 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3djg h ARG 218 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3djg h ARG 218 CO 0.41 0.19 0.00 0.72 -1.07 0.00 0.00 179.97 180.22 3djg n HIS 219 N -3.20 0.00 0.81 3.04 8.25 -1.26 -3.78 115.22 119.07 3djg n HIS 219 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 3djg n HIS 219 Cb 0.53 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 3djg n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3djg n ASP 220 N 0.00 1.21 -4.01 0.41 5.75 -1.26 -1.04 116.55 117.61 3djg n ASP 220 Ca 0.00 -1.10 -0.08 0.00 -0.01 0.00 0.00 54.79 53.60 3djg n ASP 220 Cb 0.00 0.78 -0.10 0.00 -1.03 0.00 0.00 41.12 40.77 3djg n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3djg s LYS 221 N -2.39 0.58 0.59 0.11 1.02 -1.26 -5.00 119.74 113.39 3djg s LYS 221 Ca 0.10 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 3djg s LYS 221 Cb 0.14 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.67 3djg s LYS 221 CO 0.60 -0.13 0.88 0.14 -0.92 0.00 0.00 175.35 175.93 3djg s VAL 222 N -3.17 3.47 -1.28 3.17 -7.23 -1.26 -4.60 120.40 109.50 3djg s VAL 222 Ca -0.00 -0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.03 3djg s VAL 222 Cb 0.02 -3.38 -0.00 0.00 0.56 0.00 0.00 36.38 33.58 3djg s VAL 222 CO -0.07 -0.37 0.71 0.18 -0.31 0.00 0.00 175.10 175.24 3djg n LEU 223 N -2.56 -3.19 0.24 1.32 4.77 0.39 -4.55 117.00 113.41 3djg n LEU 223 Ca 0.05 -0.84 0.16 0.00 -0.03 0.00 0.00 56.01 55.35 3djg n LEU 223 Cb 0.58 -2.65 0.61 0.00 -2.33 0.00 0.00 43.42 39.63 3djg n LEU 223 CO 0.52 0.40 0.95 0.03 -1.33 0.00 0.00 177.39 177.96 3djg h ARG 224 N -1.83 0.00 -0.00 3.23 3.08 -1.81 -1.51 114.38 115.55 3djg h ARG 224 Ca -0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.43 3djg h ARG 224 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3djg h ARG 224 CO 0.55 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.30 3djg n SER 225 N -2.88 0.07 -4.64 7.04 3.41 -1.26 -4.85 113.62 110.51 3djg n SER 225 Ca 0.01 -0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.25 3djg n SER 225 Cb 0.30 -0.28 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 3djg n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3djg s PHE 226 N -2.64 2.38 0.52 7.33 2.99 -0.57 -5.00 117.98 123.00 3djg s PHE 226 Ca 0.26 0.44 -0.23 0.00 0.00 0.00 0.00 56.93 57.40 3djg s PHE 226 Cb 0.20 -3.58 -0.06 0.00 0.00 0.00 0.00 43.02 39.59 3djg s PHE 226 CO 0.48 -1.96 1.39 0.34 -0.00 0.00 0.00 175.22 175.47 3djg s ASP 227 N -4.68 5.40 0.53 1.36 2.15 -1.26 -4.71 116.67 115.46 3djg s ASP 227 Ca 0.66 2.83 0.18 0.00 0.43 0.00 0.00 52.55 56.65 3djg s ASP 227 Cb -0.08 -2.64 1.32 0.00 -0.30 0.00 0.00 42.92 41.22 3djg s ASP 227 CO 0.49 -1.49 2.14 0.77 -0.17 0.00 0.00 175.17 176.90 3djg h SER 228 N 1.67 0.00 -0.33 -0.34 4.64 -1.94 -0.32 113.55 116.94 3djg h SER 228 Ca -0.51 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.71 3djg h SER 228 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3djg h SER 228 CO 0.58 0.00 -0.15 -0.03 -0.87 0.00 0.00 176.83 176.36 3djg h MET 229 N 0.00 0.78 -0.19 4.77 -1.53 -2.00 -1.59 114.93 115.18 3djg h MET 229 Ca 0.03 -0.28 -0.10 0.00 -3.44 0.00 0.00 59.70 55.91 3djg h MET 229 Cb 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3djg h MET 229 CO -0.00 0.89 -0.27 0.82 0.14 0.00 0.00 176.91 178.49 3djg h ILE 230 N 0.70 1.34 -0.76 1.77 1.08 -1.43 -1.80 117.51 118.41 3djg h ILE 230 Ca 0.11 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 3djg h ILE 230 Cb 0.64 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 3djg h ILE 230 CO 0.04 0.45 0.44 -1.28 -0.69 0.00 0.00 178.15 177.11 3djg h SER 231 N 0.18 0.92 0.01 1.72 0.87 -1.18 0.83 113.55 116.90 3djg h SER 231 Ca 0.02 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3djg h SER 231 Cb 0.84 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3djg h SER 231 CO 0.06 0.73 -0.01 0.74 -0.53 0.00 0.00 176.83 177.83 3djg h THR 232 N 1.04 1.32 -0.65 2.23 2.02 -1.35 -2.66 112.91 114.85 3djg h THR 232 Ca 0.27 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3djg h THR 232 Cb -0.01 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3djg h THR 232 CO -0.05 0.26 0.22 -1.13 0.37 0.00 0.00 175.52 175.19 3djg h ASN 233 N -0.44 0.93 -0.43 4.18 -1.24 -1.15 -2.43 115.58 114.99 3djg h ASN 233 Ca -0.00 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 3djg h ASN 233 Cb 0.43 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 3djg h ASN 233 CO 0.00 0.88 0.09 0.00 -1.29 0.00 0.00 177.43 177.11 3djg h THR 235 N 0.74 1.27 -0.40 0.00 2.02 -1.24 -1.24 112.91 114.07 3djg h THR 235 Ca 0.16 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 65.96 3djg h THR 235 Cb 0.32 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3djg h THR 235 CO 0.00 0.43 -0.26 -0.33 0.37 0.00 0.00 175.52 175.74 3djg h GLU 236 N 0.78 0.83 -0.55 6.66 5.08 -1.13 -2.79 114.58 123.47 3djg h GLU 236 Ca 0.12 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 3djg h GLU 236 Cb 0.68 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3djg h GLU 236 CO 0.05 0.99 0.06 0.93 -1.00 0.00 0.00 179.01 180.03 3djg h GLU 237 N 0.71 0.90 -0.29 2.33 4.39 -0.90 -0.52 114.58 121.19 3djg h GLU 237 Ca 0.09 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3djg h GLU 237 Cb 0.79 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3djg h GLU 237 CO 0.07 0.86 0.19 -0.07 -1.16 0.00 0.00 179.01 178.89 3djg h LEU 238 N 0.84 0.35 -0.59 1.33 3.38 -1.11 -2.00 115.31 117.51 3djg h LEU 238 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3djg h LEU 238 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3djg h LEU 238 CO 0.01 0.27 0.38 -0.33 0.09 0.00 0.00 178.44 178.87 3djg h GLU 239 N 0.39 0.78 0.00 1.13 5.08 -1.22 -1.69 114.58 119.05 3djg h GLU 239 Ca 0.11 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3djg h GLU 239 Cb -0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3djg h GLU 239 CO -0.02 0.53 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.48 3djg h ASN 240 N 0.80 0.00 -0.03 1.42 2.35 -0.94 -1.36 115.58 117.82 3djg h ASN 240 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3djg h ASN 240 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3djg h ASN 240 CO -0.04 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3djg n ALA 241 N -2.30 2.59 -0.25 -0.83 0.00 -0.77 -4.93 120.51 114.02 3djg n ALA 241 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3djg n ALA 241 Cb 0.24 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3djg n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djg n GLY 242 N 1.14 0.87 3.71 0.00 0.00 -0.51 -4.88 105.19 105.51 3djg n GLY 242 Ca 0.19 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3djg n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3djg s VAL 243 N -2.00 4.90 -0.30 1.61 1.01 -0.69 -4.65 120.40 120.28 3djg s VAL 243 Ca 0.00 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.62 3djg s VAL 243 Cb 0.00 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3djg s VAL 243 CO 0.00 0.15 1.00 -0.70 0.00 0.00 0.00 175.10 175.55 3djg s GLU 244 N 1.14 4.08 -0.32 2.72 2.12 -0.49 -4.05 118.70 123.89 3djg s GLU 244 Ca 0.48 1.01 -0.13 0.00 0.36 0.00 0.00 54.97 56.69 3djg s GLU 244 Cb -0.20 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 3djg s GLU 244 CO 0.24 -0.80 0.27 0.08 -0.54 0.00 0.00 175.26 174.51 3djg s VAL 245 N 3.41 5.25 -0.55 3.70 1.01 -1.26 -0.18 120.40 131.77 3djg s VAL 245 Ca 0.42 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 3djg s VAL 245 Cb -0.13 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.65 3djg s VAL 245 CO 0.13 0.04 0.61 -0.76 0.00 0.00 0.00 175.10 175.12 3djg s LEU 246 N 1.83 5.53 0.48 3.92 1.43 0.03 -4.96 118.68 126.95 3djg s LEU 246 Ca 0.08 -1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.65 3djg s LEU 246 Cb -0.17 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 3djg s LEU 246 CO 0.11 -0.97 0.88 -0.54 0.23 0.00 0.00 176.35 176.06 3djg s LYS 247 N 2.31 3.76 -1.61 1.70 1.02 -1.26 -1.37 119.74 124.29 3djg s LYS 247 Ca 0.09 0.61 -0.15 0.00 0.02 0.00 0.00 55.97 56.54 3djg s LYS 247 Cb -0.25 -2.27 0.11 0.00 -0.52 0.00 0.00 37.83 34.91 3djg s LYS 247 CO 0.06 -0.22 0.83 1.19 -0.92 0.00 0.00 175.35 176.30 3djg n PHE 248 N -1.77 -1.96 -4.47 3.18 3.72 -0.20 -4.74 117.46 111.22 3djg n PHE 248 Ca 0.04 0.84 -0.22 0.00 -0.05 0.00 0.00 57.45 58.05 3djg n PHE 248 Cb 0.54 -3.45 -0.14 0.00 -0.94 0.00 0.00 39.48 35.50 3djg n PHE 248 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3djg s SER 249 N -3.41 2.03 0.01 4.37 0.01 -0.28 -0.88 113.70 115.54 3djg s SER 249 Ca 0.63 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.35 3djg s SER 249 Cb -0.33 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 65.74 3djg s SER 249 CO 0.88 0.09 0.09 -1.10 0.41 0.00 0.00 173.24 173.62 3djg s GLN 250 N -1.18 0.43 0.14 12.44 -0.21 -0.42 -3.94 119.66 126.92 3djg s GLN 250 Ca 0.04 -0.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 3djg s GLN 250 Cb -0.08 0.17 -0.07 0.00 1.00 0.00 0.00 33.01 34.03 3djg s GLN 250 CO 0.02 -0.09 1.04 0.08 -2.12 0.00 0.00 175.29 174.21 3djg s VAL 251 N -1.34 4.19 -0.17 1.09 1.01 -1.26 -1.09 120.40 122.82 3djg s VAL 251 Ca -0.14 1.82 0.05 0.00 0.00 0.00 0.00 61.98 63.72 3djg s VAL 251 Cb -0.08 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 3djg s VAL 251 CO 0.01 0.28 -0.09 1.17 0.00 0.00 0.00 175.10 176.47 3djg n LYS 252 N 2.69 0.86 -3.49 2.72 4.81 0.09 -4.92 118.16 120.92 3djg n LYS 252 Ca 0.03 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 3djg n LYS 252 Cb 0.48 -1.38 -0.04 0.00 0.02 0.00 0.00 35.03 34.11 3djg n LYS 252 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3djg s GLU 253 N -2.37 1.01 -0.04 1.64 2.12 -1.21 -4.22 118.70 115.64 3djg s GLU 253 Ca -0.19 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.05 3djg s GLU 253 Cb 0.06 0.47 0.01 0.00 0.26 0.00 0.00 34.13 34.93 3djg s GLU 253 CO 0.49 -0.39 -0.08 0.08 -0.54 0.00 0.00 175.26 174.82 3djg s VAL 254 N -2.42 0.74 0.01 3.70 1.01 -0.28 -1.26 120.40 121.90 3djg s VAL 254 Ca -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3djg s VAL 254 Cb -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3djg s VAL 254 CO -0.03 0.25 -0.16 -0.54 0.00 0.00 0.00 175.10 174.62 3djg s LYS 255 N 0.48 1.17 -0.27 2.72 1.02 -0.46 -3.99 119.74 120.41 3djg s LYS 255 Ca -0.08 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 3djg s LYS 255 Cb -0.11 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 3djg s LYS 255 CO 0.01 0.31 0.86 0.21 -0.92 0.00 0.00 175.35 175.82 3djg s LYS 256 N -0.73 4.11 0.14 1.68 2.47 -1.26 -0.44 119.74 125.70 3djg s LYS 256 Ca 0.05 0.88 0.02 0.00 -1.56 0.00 0.00 55.97 55.36 3djg s LYS 256 Cb -0.07 -3.68 0.02 0.00 -1.46 0.00 0.00 37.83 32.64 3djg s LYS 256 CO 0.00 -0.62 0.14 0.25 0.16 0.00 0.00 175.35 175.28 3djg n THR 257 N 5.42 0.00 -0.10 3.43 -2.24 0.10 -4.94 114.28 115.95 3djg n THR 257 Ca 0.06 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.33 3djg n THR 257 Cb 0.48 -0.57 0.26 0.00 -2.10 0.00 0.00 70.33 68.39 3djg n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3djg h LEU 258 N 0.00 0.68 -5.50 3.22 3.38 -1.99 -3.30 115.31 111.80 3djg h LEU 258 Ca -0.08 -0.09 -0.56 0.00 0.09 0.00 0.00 57.88 57.24 3djg h LEU 258 Cb 0.31 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 40.47 3djg h LEU 258 CO 0.12 0.63 -0.78 -1.54 0.09 0.00 0.00 178.44 176.95 3djg n SER 259 N -4.33 3.53 0.00 -0.43 3.41 -1.26 -5.08 113.62 109.46 3djg n SER 259 Ca 0.04 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 3djg n SER 259 Cb 0.17 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3djg n SER 259 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djg n GLY 260 N -0.08 -1.53 3.91 5.00 0.00 -1.24 -4.29 105.19 106.96 3djg n GLY 260 Ca 0.29 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 3djg n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3djg s LEU 261 N 0.00 4.27 -0.13 0.99 1.43 0.15 0.03 118.68 125.43 3djg s LEU 261 Ca 0.00 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3djg s LEU 261 Cb 0.00 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 3djg s LEU 261 CO 0.00 0.05 -0.19 -0.70 0.23 0.00 0.00 176.35 175.73 3djg s GLU 262 N -2.85 3.15 -0.22 1.70 2.12 0.41 -1.05 118.70 121.96 3djg s GLU 262 Ca 0.39 -0.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 3djg s GLU 262 Cb -0.12 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 3djg s GLU 262 CO 0.27 0.11 -0.02 0.08 -0.54 0.00 0.00 175.26 175.17 3djg s VAL 263 N 0.54 3.61 -0.13 3.70 1.01 0.38 -1.36 120.40 128.15 3djg s VAL 263 Ca -0.12 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 3djg s VAL 263 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3djg s VAL 263 CO 0.04 0.41 0.45 -0.44 0.00 0.00 0.00 175.10 175.56 3djg s SER 264 N 1.46 6.63 0.12 3.32 0.01 -0.39 0.96 113.70 125.81 3djg s SER 264 Ca 0.05 0.75 0.05 0.00 1.31 0.00 0.00 55.95 58.11 3djg s SER 264 Cb -0.14 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 3djg s SER 264 CO -0.01 0.01 -0.11 0.00 0.41 0.00 0.00 173.24 173.53 3djg s MET 265 N 0.66 0.95 -0.14 12.44 0.23 0.70 -0.74 119.30 133.41 3djg s MET 265 Ca 0.24 -1.24 -0.00 0.00 -1.03 0.00 0.00 55.69 53.66 3djg s MET 265 Cb -0.15 -0.68 -0.01 0.00 -1.53 0.00 0.00 34.83 32.46 3djg s MET 265 CO 0.09 0.11 -0.13 0.08 -2.03 0.00 0.00 175.02 173.14 3djg s VAL 266 N -2.49 2.95 -0.21 5.16 1.01 -0.25 -1.61 120.40 124.96 3djg s VAL 266 Ca 0.09 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3djg s VAL 266 Cb -0.03 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3djg s VAL 266 CO 0.01 0.51 0.01 -0.89 0.00 0.00 0.00 175.10 174.74 3djg s THR 267 N 0.57 3.99 -0.57 3.92 2.01 0.06 -1.30 115.64 124.31 3djg s THR 267 Ca -0.08 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3djg s THR 267 Cb -0.16 -2.81 0.17 0.00 0.01 0.00 0.00 72.50 69.71 3djg s THR 267 CO 0.03 0.42 0.42 0.00 -0.69 0.00 0.00 174.62 174.81 3djg s ALA 268 N 1.07 2.73 0.04 7.40 0.00 -0.06 -1.14 121.76 131.80 3djg s ALA 268 Ca 0.02 -3.21 -0.30 0.00 0.00 0.00 0.00 51.96 48.46 3djg s ALA 268 Cb -0.14 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 3djg s ALA 268 CO 0.02 -2.04 1.28 0.08 0.00 0.00 0.00 175.76 175.10 3djg s VAL 269 N -0.77 3.86 0.26 0.00 1.01 -1.26 -4.88 120.40 118.63 3djg s VAL 269 Ca 0.28 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3djg s VAL 269 Cb -0.01 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 3djg s VAL 269 CO -0.18 0.06 1.24 -2.65 0.00 0.00 0.00 175.10 173.58 3djg n PRO 270 N 4.49 1.75 -0.92 2.72 -0.02 -1.26 -1.20 135.00 140.56 3djg n PRO 270 Ca 0.11 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3djg n PRO 270 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3djg n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3djg n GLY 271 N 1.59 0.82 3.59 -1.23 0.00 -1.26 -5.03 105.19 103.66 3djg n GLY 271 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3djg n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djg s ARG 272 N -0.08 1.92 0.22 1.61 0.52 -0.34 -5.13 118.95 117.67 3djg s ARG 272 Ca 0.00 -2.13 -0.21 0.00 -0.52 0.00 0.00 55.73 52.86 3djg s ARG 272 Cb 0.00 -1.22 -0.08 0.00 0.52 0.00 0.00 34.95 34.17 3djg s ARG 272 CO 0.00 -0.24 0.75 -0.51 0.02 0.00 0.00 175.30 175.32 3djg s LEU 273 N -3.67 4.39 0.63 2.53 1.43 -1.26 -4.73 118.68 118.00 3djg s LEU 273 Ca 0.27 1.49 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 3djg s LEU 273 Cb 0.06 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3djg s LEU 273 CO 0.13 0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.73 3djg s PRO 274 N -1.81 2.93 -0.01 1.29 0.05 -1.26 -4.74 135.00 131.45 3djg s PRO 274 Ca 0.42 1.47 0.00 0.00 0.05 0.00 0.00 61.00 62.94 3djg s PRO 274 Cb -0.18 -1.96 0.01 0.00 0.05 0.00 0.00 34.50 32.42 3djg s PRO 274 CO 0.22 -1.16 0.01 0.54 0.05 0.00 0.00 177.00 176.66 3djg s VAL 275 N -2.16 0.02 -0.14 -0.36 0.11 -0.29 -4.97 120.40 112.60 3djg s VAL 275 Ca 0.69 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.73 3djg s VAL 275 Cb -0.22 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 3djg s VAL 275 CO 0.38 0.05 0.14 -0.04 -3.33 0.00 0.00 175.10 172.29 3djg s MET 276 N 0.47 3.62 0.02 1.54 -1.94 -1.26 -0.76 119.30 121.00 3djg s MET 276 Ca -0.04 -0.15 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 3djg s MET 276 Cb -0.06 -3.25 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 3djg s MET 276 CO -0.01 0.66 -0.08 0.99 -0.01 0.00 0.00 175.02 176.56 3djg s THR 277 N -0.69 0.64 -0.11 2.05 2.01 -0.63 -5.00 115.64 113.91 3djg s THR 277 Ca 0.13 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3djg s THR 277 Cb -0.12 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 3djg s THR 277 CO 0.03 -0.10 -0.02 -0.04 -0.69 0.00 0.00 174.62 173.79 3djg s MET 278 N -0.94 3.21 -0.39 4.92 -1.94 -1.26 -0.21 119.30 122.69 3djg s MET 278 Ca -0.03 -0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 53.35 3djg s MET 278 Cb -0.07 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 33.98 3djg s MET 278 CO 0.00 0.53 0.26 0.42 -0.01 0.00 0.00 175.02 176.22 3djg s ILE 279 N -0.41 4.95 0.55 2.53 1.01 0.27 -4.92 121.20 125.18 3djg s ILE 279 Ca 0.07 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3djg s ILE 279 Cb -0.12 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3djg s ILE 279 CO 0.02 -0.27 0.87 -2.16 0.00 0.00 0.00 174.94 173.40 3djg s PRO 280 N 1.62 3.21 -1.39 2.79 0.04 -1.26 -0.47 135.00 139.55 3djg s PRO 280 Ca 0.04 0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.11 3djg s PRO 280 Cb -0.19 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.07 3djg s PRO 280 CO 0.08 -0.50 1.15 -0.25 0.04 0.00 0.00 177.00 177.53 3djg n ASP 281 N -2.47 -6.23 -4.72 6.66 8.00 -1.03 -4.95 116.55 111.82 3djg n ASP 281 Ca 0.03 -0.56 -0.40 0.00 0.71 0.00 0.00 54.79 54.57 3djg n ASP 281 Cb 0.56 -4.90 -0.04 0.00 -0.02 0.00 0.00 41.12 36.72 3djg n ASP 281 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3djg s VAL 282 N -3.31 4.99 -0.08 2.53 1.01 -0.21 -4.72 120.40 120.61 3djg s VAL 282 Ca 0.59 1.59 0.06 0.00 0.00 0.00 0.00 61.98 64.22 3djg s VAL 282 Cb -0.26 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 3djg s VAL 282 CO 0.73 0.24 0.53 0.47 0.00 0.00 0.00 175.10 177.07 3djg n ASP 283 N 3.75 1.29 -3.75 3.32 8.00 -0.09 -0.67 116.55 128.39 3djg n ASP 283 Ca 0.00 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 3djg n ASP 283 Cb 0.51 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.13 3djg n ASP 283 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3djg s LEU 285 N 1.63 2.69 -0.24 0.00 2.96 -1.26 -1.03 118.68 123.42 3djg s LEU 285 Ca -0.01 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3djg s LEU 285 Cb -0.13 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3djg s LEU 285 CO -0.03 -0.02 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.68 3djg s LEU 286 N 1.42 3.07 -0.28 -0.68 0.20 -0.03 -0.37 118.68 122.02 3djg s LEU 286 Ca 0.05 -0.84 -0.28 0.00 0.69 0.00 0.00 54.13 53.75 3djg s LEU 286 Cb -0.14 -1.64 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3djg s LEU 286 CO -0.06 -0.11 1.00 0.26 -0.29 0.00 0.00 176.35 177.15 3djg s TRP 287 N 1.32 3.23 -0.48 5.38 0.52 0.53 -0.63 118.94 128.81 3djg s TRP 287 Ca 0.01 1.22 0.07 0.00 0.02 0.00 0.00 56.10 57.42 3djg s TRP 287 Cb -0.16 -3.43 0.26 0.00 -1.15 0.00 0.00 33.47 28.99 3djg s TRP 287 CO -0.05 -0.61 0.64 0.00 0.02 0.00 0.00 176.95 176.95 3djg n ALA 288 N 6.52 3.09 -0.70 0.98 0.00 0.65 -4.37 120.51 126.68 3djg n ALA 288 Ca 0.10 -3.95 0.07 0.00 0.00 0.00 0.00 53.44 49.66 3djg n ALA 288 Cb 0.47 -0.85 0.11 0.00 0.00 0.00 0.00 19.45 19.18 3djg n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3djg n ILE 289 N 1.02 1.62 0.00 0.00 -5.35 -1.26 -4.21 119.36 111.18 3djg n ILE 289 Ca 0.25 -1.79 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 3djg n ILE 289 Cb 0.49 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 3djg n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3djg n GLY 290 N -0.97 0.71 3.26 3.28 0.00 -1.26 -4.94 105.19 105.26 3djg n GLY 290 Ca 0.11 -2.31 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 3djg n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djg s ARG 291 N -0.75 1.07 0.03 1.61 1.81 -1.26 -1.66 118.95 119.80 3djg s ARG 291 Ca 0.00 -1.32 0.07 0.00 -1.72 0.00 0.00 55.73 52.77 3djg s ARG 291 Cb 0.00 -0.88 -0.02 0.00 -0.45 0.00 0.00 34.95 33.59 3djg s ARG 291 CO 0.00 0.16 -0.22 0.14 -0.68 0.00 0.00 175.30 174.70 3djg s VAL 292 N -2.44 1.74 0.58 3.52 -7.23 0.40 -4.78 120.40 112.18 3djg s VAL 292 Ca 0.12 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.93 3djg s VAL 292 Cb -0.03 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 3djg s VAL 292 CO 0.03 0.27 1.13 -2.16 -0.31 0.00 0.00 175.10 174.06 3djg s PRO 293 N -1.08 3.19 -1.05 4.82 0.04 -1.26 -0.70 135.00 138.96 3djg s PRO 293 Ca 0.08 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 3djg s PRO 293 Cb -0.09 -1.99 0.21 0.00 0.04 0.00 0.00 34.50 32.67 3djg s PRO 293 CO 0.01 -0.98 1.15 1.21 0.04 0.00 0.00 177.00 178.44 3djg s ASN 294 N -1.96 7.01 0.00 6.66 3.84 0.11 -4.61 114.94 126.00 3djg s ASN 294 Ca 0.72 -2.96 0.00 0.00 0.21 0.00 0.00 52.86 50.83 3djg s ASN 294 Cb -0.23 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 3djg s ASN 294 CO 0.31 -0.62 0.00 0.35 -2.79 0.00 0.00 177.10 174.35 3djg n THR 295 N 4.04 0.00 -0.25 -5.21 -2.24 -1.26 -4.74 114.28 104.62 3djg n THR 295 Ca 0.26 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 3djg n THR 295 Cb 0.44 0.82 0.18 0.00 -2.10 0.00 0.00 70.33 69.67 3djg n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3djg h LYS 296 N 0.00 0.39 -0.65 -0.78 3.64 -1.92 -2.77 116.57 114.48 3djg h LYS 296 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3djg h LYS 296 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3djg h LYS 296 CO 0.00 0.26 0.00 -0.25 -2.27 0.00 0.00 179.45 177.19 3djg n ASP 297 N -5.03 4.46 0.03 4.20 8.00 -1.26 -4.24 116.55 122.70 3djg n ASP 297 Ca 0.14 -2.60 0.12 0.00 0.71 0.00 0.00 54.79 53.16 3djg n ASP 297 Cb 0.41 -0.60 0.19 0.00 -0.02 0.00 0.00 41.12 41.10 3djg n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3djg n LEU 298 N 0.64 0.60 -3.61 0.64 4.77 -1.04 -4.64 117.00 114.34 3djg n LEU 298 Ca 0.22 0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 3djg n LEU 298 Cb 0.91 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.87 3djg n LEU 298 CO 0.24 0.03 0.21 -1.20 -1.33 0.00 0.00 177.39 175.33 3djg n SER 299 N -1.85 -5.59 -0.25 -1.43 7.64 -1.26 -0.64 113.62 110.24 3djg n SER 299 Ca 0.04 -0.58 0.13 0.00 1.01 0.00 0.00 58.87 59.47 3djg n SER 299 Cb 0.40 -4.91 0.41 0.00 -1.01 0.00 0.00 64.21 59.10 3djg n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3djg h LEU 300 N -2.53 0.59 -2.13 -3.43 3.38 -1.89 -1.68 115.31 107.62 3djg h LEU 300 Ca -0.57 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.49 3djg h LEU 300 Cb 1.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3djg h LEU 300 CO 0.56 0.30 0.17 -0.55 0.09 0.00 0.00 178.44 179.02 3djg h ASN 301 N 0.62 0.00 0.45 -0.43 7.08 -1.91 -1.65 115.58 119.75 3djg h ASN 301 Ca 0.43 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.64 3djg h ASN 301 Cb 0.76 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.00 3djg h ASN 301 CO -0.19 0.00 -0.04 0.11 -2.08 0.00 0.00 177.43 175.23 3djg h LYS 302 N 0.00 0.00 -0.01 4.14 1.57 -1.65 -2.64 116.57 117.98 3djg h LYS 302 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3djg h LYS 302 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3djg h LYS 302 CO -0.00 0.04 -0.06 1.28 -0.57 0.00 0.00 179.45 180.14 3djg n LEU 303 N -3.27 1.21 -2.51 2.94 4.77 -0.69 -4.81 117.00 114.65 3djg n LEU 303 Ca -0.01 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 54.90 3djg n LEU 303 Cb 0.20 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3djg n LEU 303 CO 0.26 0.26 0.05 0.61 -1.33 0.00 0.00 177.39 177.23 3djg n GLY 304 N 0.51 -0.24 3.71 -0.72 0.00 -0.80 -4.98 105.19 102.68 3djg n GLY 304 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3djg n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djg s ILE 305 N -3.09 3.54 0.25 -0.61 1.01 -1.06 -4.90 121.20 116.33 3djg s ILE 305 Ca 0.29 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 3djg s ILE 305 Cb -0.13 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 3djg s ILE 305 CO 0.36 0.08 1.11 -1.10 0.00 0.00 0.00 174.94 175.39 3djg s GLN 306 N 1.12 4.61 0.17 2.79 -0.21 -1.26 -4.74 119.66 122.14 3djg s GLN 306 Ca 0.63 1.80 0.06 0.00 0.02 0.00 0.00 55.36 57.86 3djg s GLN 306 Cb -0.34 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 3djg s GLN 306 CO 0.30 0.15 -0.11 0.95 -2.12 0.00 0.00 175.29 174.45 3djg s THR 307 N -0.83 1.37 0.35 -0.19 -4.23 -1.26 -2.12 115.64 108.73 3djg s THR 307 Ca 0.47 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3djg s THR 307 Cb -0.32 -1.93 0.08 0.00 1.34 0.00 0.00 72.50 71.67 3djg s THR 307 CO 0.39 -0.68 0.47 -0.90 -0.54 0.00 0.00 174.62 173.37 3djg n ASP 308 N -0.27 0.14 0.28 3.99 5.68 -0.55 -4.89 116.55 120.92 3djg n ASP 308 Ca -0.09 -1.24 0.17 0.00 -0.50 0.00 0.00 54.79 53.13 3djg n ASP 308 Cb 0.61 -0.35 0.69 0.00 -1.14 0.00 0.00 41.12 40.93 3djg n ASP 308 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3djg h ASP 309 N -0.56 0.00 0.46 -1.12 3.04 -2.02 -2.54 116.42 113.68 3djg h ASP 309 Ca -0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 3djg h ASP 309 Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 3djg h ASP 309 CO 0.12 0.01 -0.32 0.29 -2.04 0.00 0.00 179.24 177.30 3djg n LYS 310 N -3.11 0.33 -0.05 4.15 4.76 -1.26 -4.94 118.16 118.04 3djg n LYS 310 Ca 0.00 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3djg n LYS 310 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 3djg n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3djg n GLY 311 N 1.42 0.58 3.77 0.72 0.00 -0.96 -4.49 105.19 106.23 3djg n GLY 311 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3djg n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3djg s HIS 312 N -2.09 3.16 0.02 1.61 3.76 -1.26 -4.71 115.29 115.78 3djg s HIS 312 Ca 0.00 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 3djg s HIS 312 Cb 0.00 -3.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.06 3djg s HIS 312 CO 0.00 -1.56 1.21 0.42 -0.85 0.00 0.00 174.74 173.96 3djg s ILE 313 N -1.16 4.08 -0.04 0.60 1.01 -0.70 -1.49 121.20 123.51 3djg s ILE 313 Ca 0.48 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 62.31 3djg s ILE 313 Cb -0.38 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3djg s ILE 313 CO 0.50 0.07 0.99 -0.63 0.00 0.00 0.00 174.94 175.87 3djg s ILE 314 N 1.50 4.84 0.20 2.92 -1.09 -0.90 -4.46 121.20 124.20 3djg s ILE 314 Ca 0.58 2.05 0.05 0.00 -2.23 0.00 0.00 60.65 61.11 3djg s ILE 314 Cb -0.28 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.23 3djg s ILE 314 CO 0.27 0.11 -0.08 0.68 -1.23 0.00 0.00 174.94 174.69 3djg s VAL 315 N 1.35 1.31 0.00 2.92 -7.23 -1.26 -4.40 120.40 113.09 3djg s VAL 315 Ca 0.51 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3djg s VAL 315 Cb -0.20 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3djg s VAL 315 CO 0.25 -0.54 0.00 -0.90 -0.31 0.00 0.00 175.10 173.59 3djg n ASP 316 N -0.34 0.00 0.03 4.85 5.68 -0.38 -4.93 116.55 121.46 3djg n ASP 316 Ca -0.08 -1.00 0.11 0.00 -0.50 0.00 0.00 54.79 53.32 3djg n ASP 316 Cb 0.62 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.05 3djg n ASP 316 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3djg n GLU 317 N -1.00 0.06 -0.40 0.11 0.28 -1.26 -1.98 120.64 116.45 3djg n GLU 317 Ca 0.00 0.19 0.10 0.00 -0.16 0.00 0.00 57.16 57.29 3djg n GLU 317 Cb 0.00 -1.59 0.29 0.00 1.43 0.00 0.00 31.44 31.57 3djg n GLU 317 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3djg n PHE 318 N -1.70 1.00 -1.18 -1.84 3.72 -1.26 -4.55 117.46 111.66 3djg n PHE 318 Ca 0.05 -0.55 -0.06 0.00 -0.05 0.00 0.00 57.45 56.84 3djg n PHE 318 Cb 0.26 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3djg n PHE 318 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3djg n GLN 319 N 1.14 -0.87 -2.49 -1.08 1.13 -0.84 -4.94 117.38 109.44 3djg n GLN 319 Ca 0.22 0.61 -0.41 0.00 -1.94 0.00 0.00 57.00 55.48 3djg n GLN 319 Cb 0.67 -4.48 -0.04 0.00 0.11 0.00 0.00 30.24 26.50 3djg n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3djg s ASN 320 N -2.50 7.23 1.01 1.08 0.01 -1.26 -2.02 114.94 118.48 3djg s ASN 320 Ca 0.00 2.13 -0.06 0.00 -0.71 0.00 0.00 52.86 54.22 3djg s ASN 320 Cb 0.00 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 39.13 3djg s ASN 320 CO 0.00 -0.25 0.44 0.35 -1.51 0.00 0.00 177.10 176.14 3djg n THR 321 N 2.33 0.00 0.59 1.60 -2.24 -0.82 -1.25 114.28 114.49 3djg n THR 321 Ca 0.03 -0.32 0.10 0.00 -2.27 0.00 0.00 64.05 61.59 3djg n THR 321 Cb 0.46 -1.79 0.41 0.00 -2.10 0.00 0.00 70.33 67.31 3djg n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djg n ASN 322 N -3.31 0.18 -4.56 3.42 6.94 -1.26 -4.69 115.26 111.98 3djg n ASN 322 Ca 0.06 0.54 -0.35 0.00 -0.02 0.00 0.00 54.58 54.80 3djg n ASN 322 Cb 0.19 -0.58 -0.11 0.00 -2.36 0.00 0.00 39.78 36.93 3djg n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3djg s VAL 323 N -3.07 4.56 0.14 3.53 1.01 -1.26 -5.05 120.40 120.26 3djg s VAL 323 Ca 0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.61 3djg s VAL 323 Cb 0.12 -3.07 -0.14 0.00 0.00 0.00 0.00 36.38 33.28 3djg s VAL 323 CO 0.36 0.42 1.59 0.29 0.00 0.00 0.00 175.10 177.76 3djg n LYS 324 N 3.97 2.10 -0.63 2.72 5.02 -1.26 -2.36 118.16 127.73 3djg n LYS 324 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3djg n LYS 324 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 3djg n LYS 324 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3djg n GLY 325 N 3.43 0.77 3.21 0.72 0.00 -1.26 -4.98 105.19 107.08 3djg n GLY 325 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3djg n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djg s ILE 326 N -2.79 1.97 0.24 -0.61 1.01 -0.99 -1.01 121.20 119.01 3djg s ILE 326 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3djg s ILE 326 Cb 0.00 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3djg s ILE 326 CO 0.00 0.54 0.03 -0.31 0.00 0.00 0.00 174.94 175.20 3djg s TYR 327 N 0.24 1.53 -0.09 3.97 2.02 -0.21 -1.95 117.35 122.87 3djg s TYR 327 Ca -0.15 -1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 55.43 3djg s TYR 327 Cb -0.17 -0.90 0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3djg s TYR 327 CO 0.07 -0.14 0.29 0.00 -1.57 0.00 0.00 175.55 174.21 3djg s ALA 328 N -3.53 -0.73 0.18 3.71 0.00 -0.86 -0.09 121.76 120.44 3djg s ALA 328 Ca 0.31 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3djg s ALA 328 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3djg s ALA 328 CO 0.10 -0.17 0.06 0.14 0.00 0.00 0.00 175.76 175.89 3djg s VAL 329 N -0.22 0.31 0.00 0.00 -7.23 -1.06 -4.75 120.40 107.45 3djg s VAL 329 Ca -0.03 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3djg s VAL 329 Cb -0.03 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3djg s VAL 329 CO 0.01 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 3djg n GLY 330 N -0.23 -0.79 0.27 2.32 0.00 -1.26 -4.27 105.19 101.23 3djg n GLY 330 Ca -0.03 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 44.97 3djg n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3djg h ASP 331 N 3.37 0.00 0.46 1.61 5.19 -1.90 -1.80 116.42 123.35 3djg h ASP 331 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3djg h ASP 331 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3djg h ASP 331 CO 0.00 0.09 -0.00 1.62 -3.12 0.00 0.00 179.24 177.83 3djg h VAL 332 N 0.00 0.00 0.00 -1.35 3.04 -1.74 -1.72 116.25 114.48 3djg h VAL 332 Ca -0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3djg h VAL 332 Cb 0.41 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3djg h VAL 332 CO 0.01 0.00 -1.02 0.00 -1.01 0.00 0.00 177.57 175.56 3djg n GLY 334 N 1.37 0.48 3.07 0.00 0.00 -0.65 -4.69 105.19 104.77 3djg n GLY 334 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3djg n GLY 334 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djg s LYS 335 N -1.25 2.26 -0.53 1.61 2.20 -1.26 -4.88 119.74 117.89 3djg s LYS 335 Ca 0.00 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 3djg s LYS 335 Cb 0.00 -1.89 0.03 0.00 -1.51 0.00 0.00 37.83 34.46 3djg s LYS 335 CO 0.00 -0.03 0.64 0.00 -0.36 0.00 0.00 175.35 175.60 3djg n ALA 336 N 4.10 -2.64 -2.82 3.13 0.00 -1.26 -4.80 120.51 116.22 3djg n ALA 336 Ca -0.19 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 3djg n ALA 336 Cb 0.51 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 3djg n ALA 336 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3djg s LEU 337 N -3.05 4.61 -0.03 0.00 1.43 -1.26 -4.76 118.68 115.62 3djg s LEU 337 Ca 0.24 -2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 50.84 3djg s LEU 337 Cb -0.04 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.73 3djg s LEU 337 CO 0.83 -1.02 0.16 -0.76 0.23 0.00 0.00 176.35 175.79 3djg s LEU 338 N 2.85 1.45 0.12 1.79 1.43 -1.26 -5.07 118.68 119.98 3djg s LEU 338 Ca 0.43 0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.34 3djg s LEU 338 Cb -0.02 0.66 -0.07 0.00 0.03 0.00 0.00 46.19 46.79 3djg s LEU 338 CO -0.02 -0.24 1.70 0.74 0.23 0.00 0.00 176.35 178.76 3djg h THR 339 N 4.51 0.80 0.00 5.49 2.02 -2.01 -2.64 112.91 121.08 3djg h THR 339 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3djg h THR 339 Cb 1.20 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3djg h THR 339 CO 0.40 0.00 0.00 -0.65 0.37 0.00 0.00 175.52 175.64 3djg h PRO 340 N -0.07 0.00 -0.04 6.66 0.11 -1.97 -1.75 132.00 134.94 3djg h PRO 340 Ca 0.06 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.98 3djg h PRO 340 Cb 0.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3djg h PRO 340 CO -0.14 0.00 -0.73 0.28 -0.21 0.00 0.00 178.00 177.20 3djg h VAL 341 N 0.00 1.35 -0.61 3.15 2.07 -1.81 -0.75 116.25 119.65 3djg h VAL 341 Ca 0.00 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 3djg h VAL 341 Cb 0.35 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3djg h VAL 341 CO 0.00 0.62 0.38 0.00 0.02 0.00 0.00 177.57 178.59 3djg h ALA 342 N 0.40 0.77 0.14 1.67 0.00 -1.06 0.77 119.26 121.96 3djg h ALA 342 Ca -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3djg h ALA 342 Cb 1.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3djg h ALA 342 CO 0.15 0.24 -0.07 0.82 0.00 0.00 0.00 179.25 180.39 3djg h ILE 343 N 0.82 0.94 -0.30 0.00 2.04 -1.33 -0.60 117.51 119.07 3djg h ILE 343 Ca 0.22 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3djg h ILE 343 Cb -0.04 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3djg h ILE 343 CO -0.04 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.32 3djg h ALA 344 N 0.51 0.39 -0.60 1.87 0.00 -0.95 -0.10 119.26 120.39 3djg h ALA 344 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3djg h ALA 344 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3djg h ALA 344 CO 0.03 -0.03 0.35 0.00 0.00 0.00 0.00 179.25 179.60 3djg h ALA 345 N 0.99 0.76 -0.74 0.00 0.00 -0.83 -0.48 119.26 118.95 3djg h ALA 345 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3djg h ALA 345 Cb 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3djg h ALA 345 CO -0.01 0.25 0.47 0.78 0.00 0.00 0.00 179.25 180.73 3djg h GLY 346 N 0.81 1.08 0.86 0.00 0.00 -0.87 -1.24 103.07 103.71 3djg h GLY 346 Ca 0.21 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3djg h GLY 346 CO -0.04 0.30 -0.26 3.21 0.00 0.00 0.00 176.54 179.75 3djg h ARG 347 N 0.92 0.54 -0.65 4.80 3.08 -0.75 -2.10 114.38 120.22 3djg h ARG 347 Ca 0.30 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3djg h ARG 347 Cb 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3djg h ARG 347 CO -0.11 0.90 0.33 0.87 -1.07 0.00 0.00 179.97 180.89 3djg h LYS 348 N 0.21 0.91 -0.31 0.04 1.79 -0.95 -1.79 116.57 116.47 3djg h LYS 348 Ca 0.02 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3djg h LYS 348 Cb 0.83 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3djg h LYS 348 CO 0.06 0.69 0.08 1.25 -1.08 0.00 0.00 179.45 180.45 3djg h LEU 349 N 0.91 0.46 -0.65 2.94 5.85 -1.11 -1.58 115.31 122.11 3djg h LEU 349 Ca 0.23 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3djg h LEU 349 Cb 0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3djg h LEU 349 CO -0.03 0.55 0.33 0.00 -0.34 0.00 0.00 178.44 178.95 3djg h ALA 350 N 0.92 0.88 -0.78 1.25 0.00 -0.79 -0.83 119.26 119.91 3djg h ALA 350 Ca 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3djg h ALA 350 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3djg h ALA 350 CO -0.00 -0.03 0.35 0.45 0.00 0.00 0.00 179.25 180.02 3djg h HIS 351 N 0.60 1.14 -0.21 0.00 3.86 -1.11 -0.68 115.15 118.75 3djg h HIS 351 Ca 0.31 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3djg h HIS 351 Cb 0.26 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3djg h HIS 351 CO -0.10 0.84 0.13 -0.09 0.86 0.00 0.00 177.93 179.56 3djg h ARG 352 N 1.11 0.28 -0.11 2.45 2.43 -0.72 -0.95 114.38 118.87 3djg h ARG 352 Ca 0.26 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3djg h ARG 352 Cb 0.15 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3djg h ARG 352 CO -0.03 0.23 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.07 3djg h LEU 353 N 0.26 0.66 -0.33 3.80 3.38 -1.05 -2.85 115.31 119.17 3djg h LEU 353 Ca 0.08 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3djg h LEU 353 Cb 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3djg h LEU 353 CO -0.01 1.19 -0.32 0.49 0.09 0.00 0.00 178.44 179.87 3djg n PHE 354 N -4.20 0.00 0.29 1.13 3.72 -0.27 -4.22 117.46 113.90 3djg n PHE 354 Ca -0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3djg n PHE 354 Cb 0.61 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.20 3djg n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3djg n GLU 355 N -0.79 0.56 -2.21 -1.08 2.13 -0.39 -4.97 120.64 113.89 3djg n GLU 355 Ca 0.03 -1.14 -0.19 0.00 0.66 0.00 0.00 57.16 56.52 3djg n GLU 355 Cb 0.17 -1.17 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 3djg n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3djg n TYR 356 N 0.45 -0.74 -2.64 4.31 4.01 -1.01 -4.93 117.16 116.61 3djg n TYR 356 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 3djg n TYR 356 Cb 0.24 -3.66 -0.03 0.00 -0.31 0.00 0.00 39.34 35.58 3djg n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3djg s LYS 357 N -4.71 3.48 0.57 -0.72 1.02 -1.12 -4.86 119.74 113.40 3djg s LYS 357 Ca 0.00 -1.05 0.37 0.00 0.02 0.00 0.00 55.97 55.31 3djg s LYS 357 Cb 0.00 -4.99 1.71 0.00 -0.52 0.00 0.00 37.83 34.04 3djg s LYS 357 CO 0.00 -2.10 2.09 1.05 -0.92 0.00 0.00 175.35 175.48 3djg h GLU 358 N 9.66 0.00 -0.71 1.68 4.11 -1.90 -0.81 114.58 126.61 3djg h GLU 358 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3djg h GLU 358 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3djg h GLU 358 CO 1.33 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 180.01 3djg n ASP 359 N -3.00 4.13 -4.63 3.06 5.75 -1.26 -4.92 116.55 115.67 3djg n ASP 359 Ca -0.01 -2.13 -0.43 0.00 -0.01 0.00 0.00 54.79 52.22 3djg n ASP 359 Cb 0.21 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 3djg n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3djg s SER 360 N -0.97 6.84 0.17 -1.12 0.15 -0.31 -4.97 113.70 113.50 3djg s SER 360 Ca 0.49 0.88 -0.21 0.00 0.70 0.00 0.00 55.95 57.81 3djg s SER 360 Cb 0.27 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.10 3djg s SER 360 CO 0.31 -0.98 0.56 -1.59 1.20 0.00 0.00 173.24 172.74 3djg s LYS 361 N 3.85 1.30 -0.10 5.44 -2.85 -1.26 -4.65 119.74 121.47 3djg s LYS 361 Ca 0.46 -0.62 -0.20 0.00 -1.00 0.00 0.00 55.97 54.60 3djg s LYS 361 Cb -0.11 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 3djg s LYS 361 CO 0.20 -0.56 0.58 -1.17 0.10 0.00 0.00 175.35 174.49 3djg s LEU 362 N -2.80 4.29 -0.32 2.77 2.96 -1.26 -5.01 118.68 119.31 3djg s LEU 362 Ca 0.04 0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 54.63 3djg s LEU 362 Cb -0.01 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.83 3djg s LEU 362 CO -0.09 -0.06 1.16 -0.62 -1.32 0.00 0.00 176.35 175.42 3djg s ASP 363 N 0.72 6.82 0.00 3.68 2.15 -1.26 -4.92 116.67 123.86 3djg s ASP 363 Ca 0.31 1.06 0.21 0.00 0.43 0.00 0.00 52.55 54.56 3djg s ASP 363 Cb -0.16 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 40.99 3djg s ASP 363 CO 0.14 -0.98 1.72 -1.22 -0.17 0.00 0.00 175.17 174.65 3djg n TYR 364 N 7.21 0.07 -3.00 -5.34 4.01 -1.26 -4.82 117.16 114.03 3djg n TYR 364 Ca 0.13 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.90 57.53 3djg n TYR 364 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.46 3djg n TYR 364 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3djg s ASN 365 N -1.65 6.61 -1.47 7.72 0.01 -1.26 -4.33 114.94 120.57 3djg s ASN 365 Ca 0.32 1.15 -0.07 0.00 -0.71 0.00 0.00 52.86 53.56 3djg s ASN 365 Cb 0.16 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.52 3djg s ASN 365 CO 0.25 -0.31 0.66 0.59 -1.51 0.00 0.00 177.10 176.79 3djg n ASN 366 N -0.90 -5.45 -4.68 -1.22 5.03 -1.26 -4.97 115.26 101.81 3djg n ASN 366 Ca 0.03 -0.37 -0.43 0.00 0.87 0.00 0.00 54.58 54.68 3djg n ASN 366 Cb 0.54 -4.41 -0.02 0.00 -1.02 0.00 0.00 39.78 34.86 3djg n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3djg s ILE 367 N -3.14 4.49 0.45 2.41 1.01 -1.26 -4.74 121.20 120.41 3djg s ILE 367 Ca 0.38 1.79 -0.10 0.00 0.00 0.00 0.00 60.65 62.73 3djg s ILE 367 Cb -0.18 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 3djg s ILE 367 CO 0.47 -0.04 0.81 -2.16 0.00 0.00 0.00 174.94 174.02 3djg s PRO 368 N 2.46 3.72 -0.05 2.79 0.04 -1.26 -4.42 135.00 138.28 3djg s PRO 368 Ca 0.52 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 3djg s PRO 368 Cb -0.21 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3djg s PRO 368 CO 0.17 -0.13 0.31 -0.08 0.04 0.00 0.00 177.00 177.31 3djg s THR 369 N -2.54 0.04 -0.05 1.26 -1.32 -0.67 -5.02 115.64 107.34 3djg s THR 369 Ca 0.51 -0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 3djg s THR 369 Cb -0.10 -0.56 -0.01 0.00 -1.51 0.00 0.00 72.50 70.32 3djg s THR 369 CO 0.36 -0.19 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.66 3djg s VAL 370 N -0.87 1.99 -0.25 5.08 1.01 -1.26 -1.44 120.40 124.66 3djg s VAL 370 Ca -0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 3djg s VAL 370 Cb -0.04 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3djg s VAL 370 CO 0.03 0.55 0.17 -0.69 0.00 0.00 0.00 175.10 175.16 3djg s VAL 371 N -0.16 5.35 -1.43 2.92 1.01 -0.07 -4.97 120.40 123.05 3djg s VAL 371 Ca -0.03 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 3djg s VAL 371 Cb -0.13 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3djg s VAL 371 CO 0.03 0.33 2.44 0.49 0.00 0.00 0.00 175.10 178.39 3djg n PHE 372 N 4.44 2.77 -1.69 5.22 3.72 -1.26 -1.48 117.46 129.18 3djg n PHE 372 Ca -0.15 -2.93 -0.11 0.00 -0.05 0.00 0.00 57.45 54.21 3djg n PHE 372 Cb 0.52 -2.18 0.07 0.00 -0.94 0.00 0.00 39.48 36.95 3djg n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3djg n SER 373 N 3.46 0.20 -3.95 4.37 3.41 -1.26 -4.62 113.62 115.23 3djg n SER 373 Ca 0.61 -1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 57.64 3djg n SER 373 Cb 0.29 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 3djg n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3djg s HIS 374 N -1.86 2.64 0.77 7.33 0.09 -1.26 -2.48 115.29 120.52 3djg s HIS 374 Ca 0.30 -1.99 -0.11 0.00 -0.00 0.00 0.00 55.06 53.25 3djg s HIS 374 Cb -0.01 -1.81 0.05 0.00 -0.00 0.00 0.00 32.58 30.82 3djg s HIS 374 CO 0.20 -0.82 1.08 -2.14 -0.00 0.00 0.00 174.74 173.07 3djg s PRO 375 N 1.31 2.28 0.69 8.40 0.02 -1.26 -4.79 135.00 141.65 3djg s PRO 375 Ca -0.03 0.87 -0.13 0.00 0.02 0.00 0.00 61.00 61.73 3djg s PRO 375 Cb -0.19 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.42 3djg s PRO 375 CO -0.08 -1.54 1.08 -1.25 -0.33 0.00 0.00 177.00 174.89 3djg s PRO 376 N -5.04 2.76 -0.02 5.54 0.04 -1.04 -4.52 135.00 132.73 3djg s PRO 376 Ca 0.60 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.87 3djg s PRO 376 Cb -0.15 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3djg s PRO 376 CO 0.55 -1.25 -0.08 0.42 0.04 0.00 0.00 177.00 176.68 3djg s ILE 377 N -2.67 3.58 -0.04 0.56 1.01 -0.55 -1.80 121.20 121.31 3djg s ILE 377 Ca 0.63 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3djg s ILE 377 Cb -0.17 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3djg s ILE 377 CO 0.47 0.48 -0.13 -0.83 0.00 0.00 0.00 174.94 174.93 3djg s GLY 378 N -1.16 0.76 -0.05 6.18 0.00 -0.19 -0.89 107.32 111.96 3djg s GLY 378 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 3djg s GLY 378 CO 0.05 -0.20 0.18 -1.08 0.00 0.00 0.00 173.10 172.04 3djg s THR 379 N 0.16 0.03 -0.08 0.90 -1.32 -0.52 -1.02 115.64 113.79 3djg s THR 379 Ca -0.05 -0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 60.14 3djg s THR 379 Cb -0.11 -0.33 0.02 0.00 -1.51 0.00 0.00 72.50 70.57 3djg s THR 379 CO 0.02 -0.13 0.20 0.54 -2.21 0.00 0.00 174.62 173.04 3djg s VAL 380 N -0.41 -0.00 0.00 5.08 0.11 -0.15 -1.67 120.40 123.35 3djg s VAL 380 Ca -0.05 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 3djg s VAL 380 Cb -0.03 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3djg s VAL 380 CO 0.01 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 3djg n GLY 381 N 3.07 -1.05 3.79 6.54 0.00 -1.26 -0.78 105.19 115.50 3djg n GLY 381 Ca -0.14 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3djg n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3djg s LEU 382 N 0.00 4.52 0.89 0.99 1.43 0.17 -4.89 118.68 121.79 3djg s LEU 382 Ca 0.00 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 3djg s LEU 382 Cb 0.00 -3.32 0.12 0.00 0.03 0.00 0.00 46.19 43.03 3djg s LEU 382 CO 0.00 0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.27 3djg s THR 383 N -1.25 2.64 0.29 5.49 -4.23 -1.26 -4.24 115.64 113.08 3djg s THR 383 Ca 0.37 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 3djg s THR 383 Cb -0.21 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.16 3djg s THR 383 CO 0.24 -0.27 1.86 -0.08 -0.54 0.00 0.00 174.62 175.82 3djg h GLU 384 N -1.50 0.99 -0.38 3.99 4.81 -1.97 -1.56 114.58 118.96 3djg h GLU 384 Ca -0.50 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 3djg h GLU 384 Cb 1.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3djg h GLU 384 CO 0.56 0.66 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.68 3djg h ASP 385 N 1.02 0.95 -0.30 1.04 3.32 -1.99 -1.69 116.42 118.78 3djg h ASP 385 Ca 0.47 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3djg h ASP 385 Cb 0.41 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3djg h ASP 385 CO -0.23 1.21 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.14 3djg h GLU 386 N 0.74 0.67 -0.25 3.56 5.08 -1.82 -1.08 114.58 121.48 3djg h GLU 386 Ca 0.06 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3djg h GLU 386 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3djg h GLU 386 CO 0.09 0.71 -0.15 0.00 -1.00 0.00 0.00 179.01 178.67 3djg h ALA 387 N 1.34 0.35 -0.67 3.43 0.00 -1.16 -1.74 119.26 120.81 3djg h ALA 387 Ca 0.12 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3djg h ALA 387 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3djg h ALA 387 CO 0.02 0.24 0.43 0.82 0.00 0.00 0.00 179.25 180.76 3djg h ILE 388 N 0.26 1.12 -0.49 0.00 2.04 -1.13 0.26 117.51 119.57 3djg h ILE 388 Ca 0.05 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3djg h ILE 388 Cb 0.67 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3djg h ILE 388 CO 0.04 0.16 0.21 -0.74 0.00 0.00 0.00 178.15 177.82 3djg h HIS 389 N 0.85 0.69 0.22 1.37 2.76 -1.11 -0.28 115.15 119.65 3djg h HIS 389 Ca 0.26 -0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 58.07 3djg h HIS 389 Cb -0.04 -0.22 0.02 0.00 1.55 0.00 0.00 27.41 28.73 3djg h HIS 389 CO -0.04 0.53 -1.56 -0.22 -1.30 0.00 0.00 177.93 175.35 3djg h LYS 390 N 0.69 0.45 0.00 5.26 3.64 -0.51 -3.40 116.57 122.71 3djg h LYS 390 Ca 0.17 -0.78 -0.01 0.00 -1.27 0.00 0.00 60.65 58.77 3djg h LYS 390 Cb 0.12 0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3djg h LYS 390 CO -0.02 1.37 -1.52 0.66 -2.27 0.00 0.00 179.45 177.67 3djg n TYR 391 N -3.70 0.00 0.00 1.91 4.01 0.01 -5.10 117.16 114.28 3djg n TYR 391 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3djg n TYR 391 Cb 1.07 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 3djg n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3djg n GLY 392 N 1.87 1.15 0.24 2.72 0.00 -0.12 -4.52 105.19 106.53 3djg n GLY 392 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3djg n GLY 392 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3djg h ILE 393 N 0.00 1.22 0.00 -0.61 2.10 -1.91 -0.30 117.51 118.01 3djg h ILE 393 Ca 0.00 -0.97 0.00 0.00 1.08 0.00 0.00 64.86 64.97 3djg h ILE 393 Cb 0.00 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 3djg h ILE 393 CO 0.00 0.31 0.00 -1.84 -1.08 0.00 0.00 178.15 175.54 3djg n GLU 394 N -4.21 0.04 0.00 2.19 0.00 -1.26 -3.34 120.64 114.06 3djg n GLU 394 Ca -0.00 0.22 0.08 0.00 0.00 0.00 0.00 57.16 57.46 3djg n GLU 394 Cb 0.32 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.32 3djg n GLU 394 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3djg n ASN 395 N -1.46 2.33 -4.39 -1.84 3.02 -0.13 -4.95 115.26 107.83 3djg n ASN 395 Ca 0.04 -1.66 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 3djg n ASN 395 Cb 0.17 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 3djg n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3djg s VAL 396 N -1.34 3.07 -0.04 2.41 1.01 -1.20 -0.21 120.40 124.09 3djg s VAL 396 Ca 0.19 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3djg s VAL 396 Cb 0.13 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3djg s VAL 396 CO 0.20 0.53 -0.16 -0.75 0.00 0.00 0.00 175.10 174.93 3djg s LYS 397 N 0.17 1.69 0.11 2.72 2.47 -0.32 -5.00 119.74 121.58 3djg s LYS 397 Ca -0.07 -0.57 0.11 0.00 -1.56 0.00 0.00 55.97 53.88 3djg s LYS 397 Cb -0.15 -1.47 -0.04 0.00 -1.46 0.00 0.00 37.83 34.71 3djg s LYS 397 CO 0.05 0.22 -0.26 0.95 0.16 0.00 0.00 175.35 176.46 3djg s THR 398 N 0.08 2.28 -0.01 3.43 -4.23 -1.26 -0.46 115.64 115.47 3djg s THR 398 Ca -0.04 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3djg s THR 398 Cb -0.11 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 3djg s THR 398 CO 0.02 0.14 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.74 3djg s TYR 399 N -1.02 1.72 0.13 3.99 2.02 -0.23 -4.99 117.35 118.96 3djg s TYR 399 Ca 0.14 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.38 3djg s TYR 399 Cb -0.10 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3djg s TYR 399 CO 0.06 -0.03 0.33 -1.54 -1.57 0.00 0.00 175.55 172.80 3djg s SER 400 N -0.48 -0.09 0.08 2.29 1.04 -1.26 -0.75 113.70 114.54 3djg s SER 400 Ca 0.07 -0.52 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 3djg s SER 400 Cb -0.07 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.50 3djg s SER 400 CO -0.01 -0.84 0.27 0.28 0.98 0.00 0.00 173.24 173.92 3djg s THR 401 N -3.85 0.11 -0.05 2.02 -1.32 -0.54 -4.94 115.64 107.07 3djg s THR 401 Ca 0.06 -0.89 -0.03 0.00 -1.21 0.00 0.00 61.69 59.62 3djg s THR 401 Cb 0.03 -1.16 0.03 0.00 -1.51 0.00 0.00 72.50 69.88 3djg s THR 401 CO -0.09 -0.49 0.13 -0.55 -2.21 0.00 0.00 174.62 171.40 3djg s SER 402 N -2.58 -0.10 0.22 8.08 0.15 -1.26 -1.41 113.70 116.80 3djg s SER 402 Ca 0.01 0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.73 3djg s SER 402 Cb 0.02 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 3djg s SER 402 CO -0.09 -0.10 0.59 0.72 1.20 0.00 0.00 173.24 175.57 3djg s PHE 403 N 0.71 -0.18 -0.27 3.44 -0.71 -0.48 -5.00 117.98 115.49 3djg s PHE 403 Ca -0.05 -0.18 -0.10 0.00 -1.04 0.00 0.00 56.93 55.56 3djg s PHE 403 Cb -0.07 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 3djg s PHE 403 CO -0.03 -1.01 0.17 0.99 -1.34 0.00 0.00 175.22 174.00 3djg s THR 404 N -3.88 5.15 0.48 -4.49 2.01 -1.26 -0.72 115.64 112.93 3djg s THR 404 Ca 0.09 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 3djg s THR 404 Cb -0.03 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 3djg s THR 404 CO -0.01 0.27 1.28 -2.65 -0.69 0.00 0.00 174.62 172.82 3djg n PRO 405 N 5.03 1.78 0.03 4.92 -0.02 -1.26 -4.85 135.00 140.62 3djg n PRO 405 Ca -0.14 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 3djg n PRO 405 Cb 0.52 -2.44 0.33 0.00 -0.02 0.00 0.00 33.50 31.89 3djg n PRO 405 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3djg n MET 406 N -0.41 0.04 -0.35 -0.52 0.00 -1.26 -0.96 117.12 113.67 3djg n MET 406 Ca 0.08 0.31 0.25 0.00 0.00 0.00 0.00 57.70 58.34 3djg n MET 406 Cb 0.42 -1.59 0.51 0.00 0.00 0.00 0.00 33.22 32.57 3djg n MET 406 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 3djg h TYR 407 N 0.00 0.72 -0.36 3.17 3.20 -2.02 0.01 116.97 121.69 3djg h TYR 407 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3djg h TYR 407 Cb 0.25 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3djg h TYR 407 CO 0.00 -0.02 0.00 0.72 -1.64 0.00 0.00 178.16 177.22 3djg n HIS 408 N -4.73 0.47 0.26 -3.82 8.25 -0.13 -4.17 115.22 111.34 3djg n HIS 408 Ca 0.29 -0.23 0.14 0.00 -0.26 0.00 0.00 57.72 57.65 3djg n HIS 408 Cb 0.97 0.00 0.82 0.00 1.12 0.00 0.00 29.99 32.91 3djg n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3djg h ALA 409 N 4.17 1.74 -0.12 -1.41 0.00 -1.10 -2.72 119.26 119.83 3djg h ALA 409 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djg h ALA 409 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3djg h ALA 409 CO 0.00 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.49 3djg n VAL 410 N -4.03 0.68 -4.14 0.00 0.24 -1.26 -5.04 118.33 104.78 3djg n VAL 410 Ca -0.02 -0.84 -0.27 0.00 -2.04 0.00 0.00 64.34 61.18 3djg n VAL 410 Cb 0.16 0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 3djg n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3djg s THR 411 N -0.83 4.11 0.12 3.34 -4.23 -1.03 -4.77 115.64 112.35 3djg s THR 411 Ca 0.10 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 3djg s THR 411 Cb 0.06 -3.07 -0.21 0.00 1.34 0.00 0.00 72.50 70.62 3djg s THR 411 CO 0.08 -0.08 1.27 0.11 -0.54 0.00 0.00 174.62 175.46 3djg h LYS 412 N 2.66 0.10 -6.71 3.99 1.57 -1.96 -3.44 116.57 112.77 3djg h LYS 412 Ca -0.47 -0.15 -0.50 0.00 -1.87 0.00 0.00 60.65 57.66 3djg h LYS 412 Cb 1.20 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3djg h LYS 412 CO 0.61 1.03 0.30 0.50 -0.57 0.00 0.00 179.45 181.32 3djg s ARG 413 N -2.81 4.71 0.05 3.15 3.52 -1.26 -5.07 118.95 121.24 3djg s ARG 413 Ca -0.01 1.35 0.05 0.00 -0.13 0.00 0.00 55.73 56.99 3djg s ARG 413 Cb 0.09 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3djg s ARG 413 CO 0.83 0.48 -0.14 0.15 -0.81 0.00 0.00 175.30 175.81 3djg s LYS 414 N -1.37 0.90 0.23 5.12 -0.14 -1.26 -4.91 119.74 118.30 3djg s LYS 414 Ca 0.42 -0.84 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 3djg s LYS 414 Cb -0.24 -0.91 -0.05 0.00 -1.68 0.00 0.00 37.83 34.95 3djg s LYS 414 CO 0.29 0.22 -0.02 0.95 -0.76 0.00 0.00 175.35 176.02 3djg s THR 415 N -1.01 1.14 0.23 2.17 -4.23 -1.26 -5.06 115.64 107.61 3djg s THR 415 Ca 0.00 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.54 3djg s THR 415 Cb -0.09 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 3djg s THR 415 CO 0.02 -0.35 0.12 -0.75 -0.54 0.00 0.00 174.62 173.11 3djg s LYS 416 N -3.83 2.72 -0.15 3.99 2.20 -1.26 -4.39 119.74 119.01 3djg s LYS 416 Ca 0.28 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 3djg s LYS 416 Cb 0.05 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 3djg s LYS 416 CO 0.09 0.42 -0.20 0.00 -0.36 0.00 0.00 175.35 175.29 3djg s VAL 418 N 0.88 2.04 -0.01 0.00 -7.23 -0.35 -1.39 120.40 114.34 3djg s VAL 418 Ca -0.05 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 3djg s VAL 418 Cb -0.15 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.08 3djg s VAL 418 CO -0.03 0.57 -0.03 -0.04 -0.31 0.00 0.00 175.10 175.26 3djg s MET 419 N -0.25 0.38 -0.02 4.82 -1.94 -0.50 -1.13 119.30 120.66 3djg s MET 419 Ca -0.01 -0.09 0.02 0.00 -1.71 0.00 0.00 55.69 53.90 3djg s MET 419 Cb -0.13 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.30 3djg s MET 419 CO 0.03 0.02 -0.06 0.21 -0.01 0.00 0.00 175.02 175.21 3djg s LYS 420 N 0.27 0.66 -0.12 2.03 2.20 0.70 -1.46 119.74 124.03 3djg s LYS 420 Ca -0.03 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3djg s LYS 420 Cb -0.06 -0.66 -0.01 0.00 -1.51 0.00 0.00 37.83 35.59 3djg s LYS 420 CO -0.00 0.05 -0.16 1.41 -0.36 0.00 0.00 175.35 176.29 3djg s MET 421 N 0.30 3.25 -0.22 4.03 -2.45 0.07 -1.01 119.30 123.26 3djg s MET 421 Ca -0.04 -0.73 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 3djg s MET 421 Cb -0.08 -2.53 -0.01 0.00 1.25 0.00 0.00 34.83 33.45 3djg s MET 421 CO -0.00 0.23 -0.02 0.08 1.05 0.00 0.00 175.02 176.36 3djg s VAL 422 N 0.28 3.55 0.12 10.11 1.01 0.11 -1.07 120.40 134.50 3djg s VAL 422 Ca -0.11 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.53 3djg s VAL 422 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3djg s VAL 422 CO 0.06 0.41 -0.20 0.00 0.00 0.00 0.00 175.10 175.37 3djg s ALA 424 N -1.11 1.32 0.18 0.00 0.00 0.00 -1.18 121.76 120.98 3djg s ALA 424 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3djg s ALA 424 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3djg s ALA 424 CO 0.09 0.27 0.00 0.09 0.00 0.00 0.00 175.76 176.21 3djg n ASN 425 N 1.93 -4.09 -0.25 0.00 5.03 0.70 -1.73 115.26 116.86 3djg n ASN 425 Ca -0.18 0.34 -0.00 0.00 0.87 0.00 0.00 54.58 55.61 3djg n ASN 425 Cb 0.54 -2.12 0.21 0.00 -1.02 0.00 0.00 39.78 37.39 3djg n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3djg h LYS 426 N -0.64 1.07 0.00 3.52 3.64 -1.98 -1.59 116.57 120.59 3djg h LYS 426 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3djg h LYS 426 Cb 0.63 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3djg h LYS 426 CO 0.01 0.72 0.00 0.93 -2.27 0.00 0.00 179.45 178.84 3djg h GLU 427 N 1.10 0.00 -5.74 1.90 3.07 -2.00 -3.47 114.58 109.43 3djg h GLU 427 Ca 0.29 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.82 3djg h GLU 427 Cb -0.11 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 27.95 3djg h GLU 427 CO -0.06 0.00 -0.84 0.39 -1.40 0.00 0.00 179.01 177.10 3djg n GLU 428 N -2.48 -4.04 -1.70 2.33 1.02 -0.60 -4.24 120.64 110.93 3djg n GLU 428 Ca 0.02 0.76 -0.44 0.00 -0.02 0.00 0.00 57.16 57.48 3djg n GLU 428 Cb 0.28 -5.49 -0.02 0.00 -0.02 0.00 0.00 31.44 26.18 3djg n GLU 428 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3djg n LYS 429 N -3.85 2.29 -2.76 3.49 4.81 -0.70 -0.74 118.16 120.70 3djg n LYS 429 Ca -0.19 0.81 -0.43 0.00 -0.87 0.00 0.00 58.31 57.64 3djg n LYS 429 Cb 0.64 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.14 3djg n LYS 429 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3djg s VAL 430 N -0.02 4.34 -1.02 3.15 1.01 0.15 -0.82 120.40 127.20 3djg s VAL 430 Ca 0.67 0.70 0.15 0.00 0.00 0.00 0.00 61.98 63.49 3djg s VAL 430 Cb -0.59 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.17 3djg s VAL 430 CO 0.49 -1.02 0.71 1.33 0.00 0.00 0.00 175.10 176.61 3djg n VAL 431 N 6.46 0.00 -3.61 2.92 0.24 -0.09 -4.74 118.33 119.51 3djg n VAL 431 Ca 0.06 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 3djg n VAL 431 Cb 0.48 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 3djg n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3djg s GLY 432 N -2.11 -0.38 -0.04 7.63 0.00 -1.01 -0.65 107.32 110.77 3djg s GLY 432 Ca 0.09 2.15 0.02 0.00 0.00 0.00 0.00 44.72 46.98 3djg s GLY 432 CO 0.49 1.57 -0.08 -0.42 0.00 0.00 0.00 173.10 174.66 3djg s ILE 433 N -0.10 0.78 -0.04 0.90 1.01 0.04 -0.72 121.20 123.08 3djg s ILE 433 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3djg s ILE 433 Cb -0.04 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.74 3djg s ILE 433 CO -0.00 0.26 -0.00 -1.00 0.00 0.00 0.00 174.94 174.19 3djg s HIS 434 N 0.48 0.44 0.07 3.97 3.76 -0.18 -0.98 115.29 122.85 3djg s HIS 434 Ca -0.08 -0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.61 3djg s HIS 434 Cb -0.12 -0.53 0.03 0.00 1.11 0.00 0.00 32.58 33.08 3djg s HIS 434 CO 0.01 -0.18 0.40 0.00 -0.85 0.00 0.00 174.74 174.12 3djg s MET 435 N 1.24 0.97 -0.04 1.40 0.23 -0.19 -0.22 119.30 122.69 3djg s MET 435 Ca -0.07 -0.50 -0.02 0.00 -1.03 0.00 0.00 55.69 54.07 3djg s MET 435 Cb -0.13 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 3djg s MET 435 CO -0.02 -0.35 0.09 -1.14 -2.03 0.00 0.00 175.02 171.57 3djg s GLN 436 N -2.97 0.08 0.00 3.16 0.74 -0.28 -1.02 119.66 119.36 3djg s GLN 436 Ca -0.02 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.57 3djg s GLN 436 Cb 0.00 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.07 3djg s GLN 436 CO -0.06 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 3djg n GLY 437 N 3.44 3.05 3.66 2.59 0.00 -0.74 -1.21 105.19 115.98 3djg n GLY 437 Ca -0.17 -0.96 -0.47 0.00 0.00 0.00 0.00 46.02 44.42 3djg n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djg n LEU 438 N 0.00 2.95 0.00 0.99 4.77 -1.26 -1.84 117.00 122.61 3djg n LEU 438 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3djg n LEU 438 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 3djg n LEU 438 CO 0.00 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 3djg n GLY 439 N 3.38 1.72 0.22 -0.72 0.00 -1.26 -4.91 105.19 103.62 3djg n GLY 439 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 3djg n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg h ASP 441 N 0.00 0.64 -0.01 0.00 2.03 -1.85 -3.11 116.42 114.13 3djg h ASP 441 Ca 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 3djg h ASP 441 Cb 0.33 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3djg h ASP 441 CO 0.00 0.74 -0.75 -0.62 -1.03 0.00 0.00 179.24 177.59 3djg n GLU 442 N -4.21 0.64 0.09 4.15 -0.58 -0.80 -4.36 120.64 115.56 3djg n GLU 442 Ca 0.02 -0.46 -0.03 0.00 -0.42 0.00 0.00 57.16 56.27 3djg n GLU 442 Cb 0.31 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 3djg n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3djg h MET 443 N 1.11 0.00 -0.08 3.49 4.05 -1.40 -3.39 114.93 118.70 3djg h MET 443 Ca 0.00 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 3djg h MET 443 Cb 0.61 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3djg h MET 443 CO 0.00 0.76 -0.88 1.25 0.23 0.00 0.00 176.91 178.27 3djg h LEU 444 N 0.00 0.91 -0.77 3.39 5.85 -1.76 -3.36 115.31 119.58 3djg h LEU 444 Ca -0.03 -0.68 0.16 0.00 0.84 0.00 0.00 57.88 58.17 3djg h LEU 444 Cb 1.63 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 42.28 3djg h LEU 444 CO 0.10 1.46 0.26 -0.61 -0.34 0.00 0.00 178.44 179.31 3djg h GLN 445 N 0.45 0.36 -0.05 1.25 5.75 -1.86 -0.40 115.11 120.60 3djg h GLN 445 Ca -0.09 -0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.22 3djg h GLN 445 Cb 1.52 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 3djg h GLN 445 CO 0.18 0.24 -0.72 0.78 -2.65 0.00 0.00 178.83 176.65 3djg h GLY 446 N 0.37 0.32 1.88 2.39 0.00 -1.87 -2.60 103.07 103.55 3djg h GLY 446 Ca 0.43 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3djg h GLY 446 CO -0.46 0.41 -0.18 0.74 0.00 0.00 0.00 176.54 177.04 3djg h PHE 447 N 0.20 0.16 -0.42 5.60 0.04 -1.34 -2.62 116.94 118.57 3djg h PHE 447 Ca -0.03 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 3djg h PHE 447 Cb 1.29 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 3djg h PHE 447 CO 0.03 0.33 -0.06 0.00 -0.60 0.00 0.00 178.31 178.02 3djg h ALA 448 N 1.67 1.11 -0.45 2.45 0.00 -0.77 0.39 119.26 123.68 3djg h ALA 448 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3djg h ALA 448 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3djg h ALA 448 CO 0.03 0.56 0.27 0.28 0.00 0.00 0.00 179.25 180.38 3djg h VAL 449 N 0.65 1.05 -0.52 0.00 2.07 -1.14 -0.43 116.25 117.94 3djg h VAL 449 Ca 0.12 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3djg h VAL 449 Cb 0.50 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3djg h VAL 449 CO 0.03 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.89 3djg h ALA 450 N 1.19 0.68 -0.62 1.67 0.00 -1.14 -1.64 119.26 119.40 3djg h ALA 450 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3djg h ALA 450 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3djg h ALA 450 CO -0.08 0.32 0.37 0.28 0.00 0.00 0.00 179.25 180.14 3djg h VAL 451 N 0.70 1.18 -0.39 0.00 2.07 -0.75 -2.16 116.25 116.90 3djg h VAL 451 Ca 0.17 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3djg h VAL 451 Cb 0.25 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3djg h VAL 451 CO -0.01 0.19 0.24 0.50 0.02 0.00 0.00 177.57 178.51 3djg h LYS 452 N 0.84 0.52 0.00 1.57 1.63 -0.75 -1.03 116.57 119.34 3djg h LYS 452 Ca 0.22 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3djg h LYS 452 Cb -0.02 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3djg h LYS 452 CO -0.04 0.36 0.00 -1.33 -3.45 0.00 0.00 179.45 174.99 3djg n MET 453 N -4.46 0.34 -1.38 1.90 2.81 -0.65 -4.91 117.12 110.77 3djg n MET 453 Ca 0.03 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3djg n MET 453 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 3djg n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3djg n GLY 454 N 1.25 0.98 3.75 3.03 0.00 -0.39 -5.04 105.19 108.77 3djg n GLY 454 Ca 0.13 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3djg n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djg s ALA 455 N -2.53 2.65 0.46 4.61 0.00 -0.88 -4.84 121.76 121.24 3djg s ALA 455 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.13 3djg s ALA 455 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3djg s ALA 455 CO 0.00 -1.19 0.43 0.95 0.00 0.00 0.00 175.76 175.95 3djg s THR 456 N -1.49 2.42 0.34 0.00 -4.23 -1.26 -0.67 115.64 110.74 3djg s THR 456 Ca 0.75 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3djg s THR 456 Cb -0.33 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 70.87 3djg s THR 456 CO 0.37 0.00 1.82 0.50 -0.54 0.00 0.00 174.62 176.78 3djg h LYS 457 N 0.88 0.33 -0.86 3.99 1.63 -1.11 -1.62 116.57 119.82 3djg h LYS 457 Ca -0.39 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.37 3djg h LYS 457 Cb 1.28 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.82 3djg h LYS 457 CO 0.55 0.52 0.56 0.00 -3.45 0.00 0.00 179.45 177.63 3djg h ALA 458 N 1.50 1.55 -0.85 5.00 0.00 -1.84 -0.18 119.26 124.44 3djg h ALA 458 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3djg h ALA 458 Cb 0.52 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3djg h ALA 458 CO 0.03 0.33 0.46 -0.44 0.00 0.00 0.00 179.25 179.63 3djg h ASP 459 N 0.97 1.06 -0.06 0.00 3.32 -1.69 -0.96 116.42 119.07 3djg h ASP 459 Ca 0.36 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3djg h ASP 459 Cb 0.19 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3djg h ASP 459 CO -0.13 0.86 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.92 3djg h PHE 460 N 1.19 0.18 0.00 4.55 0.04 -1.24 -3.19 116.94 118.46 3djg h PHE 460 Ca 0.30 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 3djg h PHE 460 Cb 0.03 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3djg h PHE 460 CO 0.01 0.60 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.69 3djg h ASP 461 N -0.30 0.00 -0.46 2.17 3.32 -0.81 -2.18 116.42 118.16 3djg h ASP 461 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3djg h ASP 461 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3djg h ASP 461 CO 0.02 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.32 3djg n ASN 462 N -4.00 2.59 -4.74 6.45 3.02 -0.38 -4.82 115.26 113.38 3djg n ASN 462 Ca -0.02 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 3djg n ASN 462 Cb 0.27 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3djg n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djg s THR 463 N -1.39 5.20 0.26 3.41 2.01 -0.82 -5.06 115.64 119.26 3djg s THR 463 Ca 0.33 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 3djg s THR 463 Cb 0.17 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 3djg s THR 463 CO 0.23 0.37 1.11 -0.69 -0.69 0.00 0.00 174.62 174.95 3djg s VAL 464 N 0.40 3.50 0.69 3.82 1.01 -1.26 -4.98 120.40 123.58 3djg s VAL 464 Ca 0.23 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 3djg s VAL 464 Cb -0.15 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3djg s VAL 464 CO 0.09 0.33 1.09 0.00 0.00 0.00 0.00 175.10 176.61 3djg s ALA 465 N -0.99 2.47 -0.21 5.51 0.00 -1.26 -5.06 121.76 122.22 3djg s ALA 465 Ca 0.46 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 3djg s ALA 465 Cb -0.32 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 3djg s ALA 465 CO 0.41 -1.36 0.02 0.42 0.00 0.00 0.00 175.76 175.24 3djg s ILE 466 N -2.67 4.07 0.04 0.00 1.01 -1.26 -5.09 121.20 117.29 3djg s ILE 466 Ca 0.63 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.08 3djg s ILE 466 Cb -0.18 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 3djg s ILE 466 CO 0.48 0.41 -0.20 -2.28 0.00 0.00 0.00 174.94 173.34 3djg s HIS 467 N 1.15 1.77 -0.26 3.97 2.46 -1.26 -3.36 115.29 119.75 3djg s HIS 467 Ca 0.03 -0.37 -0.20 0.00 0.47 0.00 0.00 55.06 54.99 3djg s HIS 467 Cb -0.14 -1.07 -0.02 0.00 -0.13 0.00 0.00 32.58 31.22 3djg s HIS 467 CO 0.02 0.07 0.62 -1.25 -2.47 0.00 0.00 174.74 171.73 3djg s PRO 468 N -1.09 4.07 0.17 2.88 0.05 -1.26 -5.18 135.00 134.63 3djg s PRO 468 Ca 0.07 0.48 0.01 0.00 0.05 0.00 0.00 61.00 61.60 3djg s PRO 468 Cb -0.09 -3.66 -0.04 0.00 0.05 0.00 0.00 34.50 30.75 3djg s PRO 468 CO 0.01 -0.44 0.04 0.95 0.05 0.00 0.00 177.00 177.61 3djg s THR 469 N 2.51 0.45 0.18 1.26 -4.23 -1.22 -5.04 115.64 109.55 3djg s THR 469 Ca 0.25 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3djg s THR 469 Cb -0.15 -2.17 -0.11 0.00 1.34 0.00 0.00 72.50 71.40 3djg s THR 469 CO 0.09 -0.40 1.43 0.28 -0.54 0.00 0.00 174.62 175.49 3djg h SER 470 N 2.71 0.38 0.25 3.99 0.02 -1.92 -3.34 113.55 115.65 3djg h SER 470 Ca -0.36 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.28 3djg h SER 470 Cb 1.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3djg h SER 470 CO 0.61 1.01 -0.20 0.77 -1.14 0.00 0.00 176.83 177.88 3djg h SER 471 N 0.21 0.00 0.22 3.07 4.64 -1.94 -2.30 113.55 117.45 3djg h SER 471 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3djg h SER 471 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3djg h SER 471 CO 0.12 0.20 0.00 1.05 -0.87 0.00 0.00 176.83 177.33 3djg h GLU 472 N 0.00 0.00 -0.10 4.77 4.11 -1.75 -2.35 114.58 119.26 3djg h GLU 472 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3djg h GLU 472 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3djg h GLU 472 CO 0.03 0.00 -0.06 0.93 0.07 0.00 0.00 179.01 179.97 3djg h GLU 473 N 0.00 0.15 0.00 1.06 4.39 -1.65 -2.33 114.58 116.19 3djg h GLU 473 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3djg h GLU 473 Cb 0.11 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3djg h GLU 473 CO 0.00 0.23 0.00 1.28 -1.16 0.00 0.00 179.01 179.36 3djg n LEU 474 N -4.38 0.64 -0.52 1.33 4.77 -0.88 -2.50 117.00 115.45 3djg n LEU 474 Ca -0.01 0.72 0.06 0.00 -0.03 0.00 0.00 56.01 56.75 3djg n LEU 474 Cb 0.19 -0.70 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 3djg n LEU 474 CO 0.36 -0.76 0.47 1.33 -1.33 0.00 0.00 177.39 177.46 3djg n VAL 475 N -2.27 0.13 -1.70 4.08 0.24 -0.89 -4.41 118.33 113.52 3djg n VAL 475 Ca 0.00 -0.57 0.06 0.00 -2.04 0.00 0.00 64.34 61.80 3djg n VAL 475 Cb 0.14 1.16 0.15 0.00 -1.47 0.00 0.00 33.84 33.81 3djg n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3djg n THR 476 N 0.69 1.57 -2.23 3.34 -2.24 -1.04 -4.30 114.28 110.06 3djg n THR 476 Ca 0.08 -2.40 -0.40 0.00 -2.27 0.00 0.00 64.05 59.07 3djg n THR 476 Cb 0.33 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 3djg n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3djg s LEU 477 N -2.32 4.33 0.00 3.22 1.43 -1.18 -5.03 118.68 119.14 3djg s LEU 477 Ca 0.33 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3djg s LEU 477 Cb 0.33 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3djg s LEU 477 CO -0.07 -0.56 0.10 0.54 0.23 0.00 0.00 176.35 176.60