#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4a s SER 3 N 0.00 4.61 0.00 2.55 1.04 -1.26 -3.54 113.70 117.10 3m4a s SER 3 Ca 0.00 0.73 -0.25 0.00 0.48 0.00 0.00 55.95 56.91 3m4a s SER 3 Cb 0.00 -1.26 -0.18 0.00 0.10 0.00 0.00 66.02 64.67 3m4a s SER 3 CO 0.00 -1.82 1.32 -0.09 0.98 0.00 0.00 173.24 173.63 3m4a h ARG 4 N -0.95 -0.10 -0.36 4.02 2.43 -1.91 -2.21 114.38 115.30 3m4a h ARG 4 Ca -0.46 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3m4a h ARG 4 Cb 1.32 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3m4a h ARG 4 CO 0.65 0.27 0.07 1.79 -1.51 0.00 0.00 179.97 181.23 3m4a h THR 5 N -0.49 1.18 -0.57 0.20 1.35 -1.95 0.15 112.91 112.77 3m4a h THR 5 Ca -0.01 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 65.23 3m4a h THR 5 Cb 0.42 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 3m4a h THR 5 CO 0.02 0.23 0.35 -0.33 -0.25 0.00 0.00 175.52 175.54 3m4a h GLU 6 N 0.52 0.68 0.11 4.72 5.08 -1.95 0.13 114.58 123.87 3m4a h GLU 6 Ca 0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3m4a h GLU 6 Cb 0.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3m4a h GLU 6 CO -0.00 0.45 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.33 3m4a h LEU 7 N 0.70 -0.12 -2.83 1.33 3.38 -0.66 -2.99 115.31 114.11 3m4a h LEU 7 Ca 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3m4a h LEU 7 Cb 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3m4a h LEU 7 CO -0.09 0.21 0.01 -0.07 0.09 0.00 0.00 178.44 178.58 3m4a h LEU 8 N -0.47 0.00 -9.71 1.67 3.38 -0.65 -3.52 115.31 106.02 3m4a h LEU 8 Ca -0.01 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.40 3m4a h LEU 8 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3m4a h LEU 8 CO 0.02 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.62 3m4a s ALA 9 N -4.28 3.52 -0.28 1.53 0.00 0.02 -5.07 121.76 117.21 3m4a s ALA 9 Ca -0.05 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 3m4a s ALA 9 Cb 0.13 -2.78 0.16 0.00 0.00 0.00 0.00 23.12 20.63 3m4a s ALA 9 CO 0.44 0.35 1.25 1.03 0.00 0.00 0.00 175.76 178.83 3m4a s ARG 14 N -1.11 0.26 0.27 0.00 0.52 -1.26 -5.04 118.95 112.59 3m4a s ARG 14 Ca 0.32 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.79 3m4a s ARG 14 Cb -0.21 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 3m4a s ARG 14 CO 0.22 -0.05 0.45 0.50 0.02 0.00 0.00 175.30 176.45 3m4a s ARG 15 N -0.15 3.49 0.20 3.54 3.52 -0.46 -4.97 118.95 124.13 3m4a s ARG 15 Ca 0.05 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.12 3m4a s ARG 15 Cb -0.04 -2.77 0.23 0.00 -1.56 0.00 0.00 34.95 30.80 3m4a s ARG 15 CO -0.10 0.30 1.79 0.00 -0.81 0.00 0.00 175.30 176.49 3m4a h ALA 40 N 1.28 0.83 -0.01 6.12 0.00 -2.06 -3.42 119.26 122.00 3m4a h ALA 40 Ca -0.50 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3m4a h ALA 40 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3m4a h ALA 40 CO 0.63 -0.02 0.00 -0.09 0.00 0.00 0.00 179.25 179.78 3m4a h ARG 41 N 0.61 0.02 -0.79 0.00 2.43 -2.03 -2.69 114.38 111.92 3m4a h ARG 41 Ca 0.29 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.55 3m4a h ARG 41 Cb 0.21 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3m4a h ARG 41 CO -0.20 0.15 0.52 0.82 -1.51 0.00 0.00 179.97 179.75 3m4a h ILE 42 N -0.12 0.96 -0.54 1.20 2.04 -1.99 -1.65 117.51 117.41 3m4a h ILE 42 Ca 0.00 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 3m4a h ILE 42 Cb 0.14 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3m4a h ILE 42 CO -0.00 0.13 -0.06 0.00 0.00 0.00 0.00 178.15 178.22 3m4a h ALA 43 N 1.60 0.87 0.00 1.87 0.00 -1.99 -3.00 119.26 118.60 3m4a h ALA 43 Ca 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3m4a h ALA 43 Cb 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m4a h ALA 43 CO -0.14 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 3m4a h ARG 44 N 0.87 0.00 -0.06 0.00 3.08 -0.98 -2.60 114.38 114.70 3m4a h ARG 44 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3m4a h ARG 44 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3m4a h ARG 44 CO 0.04 0.07 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.66 3m4a h LEU 45 N 0.00 0.10 -2.17 3.04 3.38 -1.34 -3.47 115.31 114.85 3m4a h LEU 45 Ca -0.00 -0.03 -0.39 0.00 0.09 0.00 0.00 57.88 57.55 3m4a h LEU 45 Cb 0.54 -0.03 0.09 0.00 0.09 0.00 0.00 40.66 41.36 3m4a h LEU 45 CO 0.01 0.38 -0.85 0.00 0.09 0.00 0.00 178.44 178.07 3m4a n ALA 46 N -2.48 -2.20 -2.16 1.53 0.00 -0.98 -4.90 120.51 109.32 3m4a n ALA 46 Ca -0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 3m4a n ALA 46 Cb 0.35 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 3m4a n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3m4a s VAL 47 N -3.57 3.80 0.09 0.00 1.01 -1.26 -4.93 120.40 115.54 3m4a s VAL 47 Ca 0.17 0.94 -0.36 0.00 0.00 0.00 0.00 61.98 62.72 3m4a s VAL 47 Cb -0.04 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.46 3m4a s VAL 47 CO 0.81 -0.20 1.29 -2.65 0.00 0.00 0.00 175.10 174.35 3m4a n PRO 48 N 7.27 1.05 0.27 2.72 -0.02 -1.26 -4.86 135.00 140.17 3m4a n PRO 48 Ca 0.17 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 3m4a n PRO 48 Cb 0.44 -1.99 0.74 0.00 -0.02 0.00 0.00 33.50 32.68 3m4a n PRO 48 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3m4a h PRO 49 N 4.25 0.00 0.00 0.52 0.13 -2.04 -2.46 132.00 132.40 3m4a h PRO 49 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3m4a h PRO 49 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3m4a h PRO 49 CO 0.76 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.61 3m4a h ALA 50 N 1.91 1.00 -2.89 -0.56 0.00 -1.98 -3.45 119.26 113.29 3m4a h ALA 50 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3m4a h ALA 50 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.32 3m4a h ALA 50 CO 0.01 0.00 0.71 0.66 0.00 0.00 0.00 179.25 180.63 3m4a n TYR 51 N -2.32 2.79 -4.15 0.00 4.02 -0.93 -4.81 117.16 111.77 3m4a n TYR 51 Ca 0.04 0.46 -0.30 0.00 -0.01 0.00 0.00 57.90 58.09 3m4a n TYR 51 Cb 0.36 -2.49 -0.08 0.00 -0.02 0.00 0.00 39.34 37.10 3m4a n TYR 51 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3m4a s GLN 52 N -2.19 2.53 -1.15 -0.72 -0.21 0.11 -4.64 119.66 113.39 3m4a s GLN 52 Ca 0.56 -0.84 -0.27 0.00 0.02 0.00 0.00 55.36 54.83 3m4a s GLN 52 Cb -0.48 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.02 3m4a s GLN 52 CO 0.62 0.54 0.73 -3.47 -2.12 0.00 0.00 175.29 171.58 3m4a n ASP 53 N 0.63 -4.74 -4.73 5.90 2.03 -1.26 -1.25 116.55 113.13 3m4a n ASP 53 Ca -0.11 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.64 3m4a n ASP 53 Cb 0.52 -2.41 -0.04 0.00 -0.72 0.00 0.00 41.12 38.47 3m4a n ASP 53 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3m4a s VAL 54 N -3.46 4.66 0.04 5.18 1.01 -1.26 -4.46 120.40 122.11 3m4a s VAL 54 Ca 0.45 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.41 3m4a s VAL 54 Cb -0.21 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3m4a s VAL 54 CO 0.92 0.30 -0.18 -0.31 0.00 0.00 0.00 175.10 175.83 3m4a s TYR 55 N 0.19 2.55 0.03 5.22 1.51 0.84 -1.36 117.35 126.33 3m4a s TYR 55 Ca 0.45 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 3m4a s TYR 55 Cb -0.22 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3m4a s TYR 55 CO 0.27 0.25 -0.11 0.08 -1.11 0.00 0.00 175.55 174.93 3m4a s VAL 56 N -0.92 0.82 0.13 0.71 1.01 -1.26 -1.10 120.40 119.78 3m4a s VAL 56 Ca 0.14 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 3m4a s VAL 56 Cb -0.10 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 3m4a s VAL 56 CO 0.05 -0.04 1.42 -0.55 0.00 0.00 0.00 175.10 175.98 3m4a s SER 57 N -0.96 6.78 -0.06 3.32 0.15 0.05 -4.81 113.70 118.17 3m4a s SER 57 Ca -0.01 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.03 3m4a s SER 57 Cb -0.07 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.73 3m4a s SER 57 CO 0.01 -0.69 1.19 -0.81 1.20 0.00 0.00 173.24 174.15 3m4a n PRO 58 N 3.94 1.16 -3.65 5.44 -0.04 -1.26 -4.82 135.00 135.77 3m4a n PRO 58 Ca 0.12 -0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.08 3m4a n PRO 58 Cb 0.42 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 3m4a n PRO 58 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m4a s ASP 59 N 0.79 -0.73 0.25 3.54 2.15 -1.26 -5.05 116.67 116.36 3m4a s ASP 59 Ca 0.07 1.37 0.25 0.00 0.43 0.00 0.00 52.55 54.67 3m4a s ASP 59 Cb 0.06 1.37 0.85 0.00 -0.30 0.00 0.00 42.92 44.90 3m4a s ASP 59 CO 0.01 -0.23 1.76 0.00 -0.17 0.00 0.00 175.17 176.53 3m4a h ALA 60 N 5.32 1.00 0.05 3.66 0.00 -2.02 -3.34 119.26 123.93 3m4a h ALA 60 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 3m4a h ALA 60 Cb 1.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3m4a h ALA 60 CO 0.09 0.00 -1.92 0.39 0.00 0.00 0.00 179.25 177.81 3m4a n GLU 61 N -2.34 0.69 -1.59 0.00 4.71 -1.26 -4.96 120.64 115.89 3m4a n GLU 61 Ca 0.04 0.25 -0.55 0.00 -0.01 0.00 0.00 57.16 56.89 3m4a n GLU 61 Cb 0.37 -1.72 -0.07 0.00 -1.01 0.00 0.00 31.44 29.01 3m4a n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3m4a n ASN 62 N -3.21 1.24 0.23 1.62 3.02 -1.26 -4.87 115.26 112.04 3m4a n ASN 62 Ca -0.26 1.13 0.06 0.00 -0.03 0.00 0.00 54.58 55.48 3m4a n ASN 62 Cb 1.05 -1.10 0.54 0.00 -0.61 0.00 0.00 39.78 39.67 3m4a n ASN 62 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3m4a h GLU 63 N 4.42 0.00 -4.41 3.52 9.09 -1.94 -3.36 114.58 121.90 3m4a h GLU 63 Ca -0.48 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.20 3m4a h GLU 63 Cb 1.36 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 28.22 3m4a h GLU 63 CO 0.77 0.15 -0.40 -1.17 0.05 0.00 0.00 179.01 178.41 3m4a s LEU 64 N -8.60 5.31 -0.02 3.06 2.96 -1.26 -1.40 118.68 118.74 3m4a s LEU 64 Ca -0.04 -1.26 0.06 0.00 -0.22 0.00 0.00 54.13 52.66 3m4a s LEU 64 Cb 0.16 -2.11 -0.24 0.00 0.50 0.00 0.00 46.19 44.49 3m4a s LEU 64 CO 0.69 -0.56 0.75 1.56 -1.32 0.00 0.00 176.35 177.47 3m4a h GLN 65 N 8.61 0.09 -2.23 1.98 1.08 -1.23 -3.41 115.11 120.00 3m4a h GLN 65 Ca -0.26 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.72 3m4a h GLN 65 Cb 1.10 0.06 -0.18 0.00 -0.05 0.00 0.00 27.48 28.42 3m4a h GLN 65 CO 0.80 0.81 0.17 0.00 -0.95 0.00 0.00 178.83 179.66 3m4a s ALA 66 N -2.61 -1.69 -0.06 3.87 0.00 -0.64 -0.77 121.76 119.86 3m4a s ALA 66 Ca -0.07 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 3m4a s ALA 66 Cb 0.08 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3m4a s ALA 66 CO 0.82 -0.44 0.28 -0.59 0.00 0.00 0.00 175.76 175.83 3m4a s PHE 67 N -1.68 -0.23 0.00 0.00 -0.12 -0.26 -0.57 117.98 115.12 3m4a s PHE 67 Ca -0.09 0.49 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 3m4a s PHE 67 Cb -0.00 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 3m4a s PHE 67 CO 0.05 -0.25 0.00 0.41 -0.05 0.00 0.00 175.22 175.38 3m4a n GLY 68 N 2.16 2.74 3.03 1.99 0.00 -0.70 -0.11 105.19 114.29 3m4a n GLY 68 Ca -0.17 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 3m4a n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4a s ARG 69 N 0.04 1.15 0.94 1.61 0.52 -0.38 -0.88 118.95 121.95 3m4a s ARG 69 Ca 0.00 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 3m4a s ARG 69 Cb 0.00 -1.05 0.20 0.00 0.52 0.00 0.00 34.95 34.62 3m4a s ARG 69 CO 0.00 0.15 1.28 0.16 0.02 0.00 0.00 175.30 176.91 3m4a s ASP 70 N 0.14 3.20 0.25 0.23 1.47 -0.83 0.07 116.67 121.20 3m4a s ASP 70 Ca -0.03 0.13 -0.04 0.00 1.18 0.00 0.00 52.55 53.79 3m4a s ASP 70 Cb -0.09 -0.19 0.44 0.00 -0.34 0.00 0.00 42.92 42.74 3m4a s ASP 70 CO 0.01 -2.66 1.78 0.00 0.68 0.00 0.00 175.17 174.97 3m4a h ALA 71 N -1.52 1.16 -0.48 2.11 0.00 -2.00 -3.36 119.26 115.17 3m4a h ALA 71 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3m4a h ALA 71 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m4a h ALA 71 CO 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3m4a n ALA 72 N -2.41 -0.25 0.00 0.00 0.00 -1.26 -5.18 120.51 111.41 3m4a n ALA 72 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3m4a n ALA 72 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3m4a n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m4a n ARG 74 N -1.76 0.00 -2.51 0.00 5.12 -1.26 -5.21 116.66 111.05 3m4a n ARG 74 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 3m4a n ARG 74 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 3m4a n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3m4a s LEU 75 N 0.00 4.51 0.07 0.55 1.43 -1.26 -1.97 118.68 122.01 3m4a s LEU 75 Ca 0.00 2.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.32 3m4a s LEU 75 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 3m4a s LEU 75 CO 0.00 -0.19 -0.20 -1.10 0.23 0.00 0.00 176.35 175.09 3m4a s GLN 76 N -0.73 1.24 0.06 1.70 -1.52 -0.06 -4.96 119.66 115.40 3m4a s GLN 76 Ca 0.48 -1.03 0.03 0.00 -1.95 0.00 0.00 55.36 52.89 3m4a s GLN 76 Cb -0.30 -1.42 -0.03 0.00 -0.22 0.00 0.00 33.01 31.05 3m4a s GLN 76 CO 0.37 0.35 -0.10 0.71 -0.25 0.00 0.00 175.29 176.36 3m4a s TYR 77 N -0.96 0.88 -0.04 0.91 2.02 -1.26 -1.73 117.35 117.17 3m4a s TYR 77 Ca 0.07 -0.51 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 3m4a s TYR 77 Cb -0.09 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 3m4a s TYR 77 CO 0.03 -0.03 -0.18 1.03 -1.57 0.00 0.00 175.55 174.82 3m4a s ARG 78 N -1.81 1.88 0.32 -0.62 1.81 0.26 -4.99 118.95 115.79 3m4a s ARG 78 Ca -0.05 -0.66 0.09 0.00 -1.72 0.00 0.00 55.73 53.39 3m4a s ARG 78 Cb -0.09 -1.64 -0.05 0.00 -0.45 0.00 0.00 34.95 32.72 3m4a s ARG 78 CO 0.01 0.28 0.02 0.71 -0.68 0.00 0.00 175.30 175.64 3m4a s TYR 79 N -0.03 2.61 0.15 -0.53 2.02 -1.26 -1.03 117.35 119.28 3m4a s TYR 79 Ca -0.03 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3m4a s TYR 79 Cb -0.12 -1.41 -0.08 0.00 -0.40 0.00 0.00 41.96 39.96 3m4a s TYR 79 CO 0.02 0.50 1.29 -1.58 -1.57 0.00 0.00 175.55 174.21 3m4a s HIS 80 N -2.45 3.32 0.46 2.71 5.65 -0.49 -4.74 115.29 119.76 3m4a s HIS 80 Ca 0.34 1.20 0.20 0.00 0.25 0.00 0.00 55.06 57.05 3m4a s HIS 80 Cb -0.03 -3.56 1.25 0.00 -1.18 0.00 0.00 32.58 29.06 3m4a s HIS 80 CO 0.20 -1.78 2.06 -1.00 -0.65 0.00 0.00 174.74 173.56 3m4a h PRO 81 N 6.02 0.00 0.00 2.88 0.13 -1.94 -2.09 132.00 137.00 3m4a h PRO 81 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3m4a h PRO 81 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3m4a h PRO 81 CO 0.80 0.13 0.00 -0.44 -0.23 0.00 0.00 178.00 178.26 3m4a h ASP 82 N 0.00 0.00 -0.02 1.44 3.32 -1.96 -2.46 116.42 116.74 3m4a h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m4a h ASP 82 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3m4a h ASP 82 CO 0.02 0.00 -0.21 0.49 -1.72 0.00 0.00 179.24 177.81 3m4a n PHE 83 N -2.70 0.00 0.47 4.55 3.01 -0.79 -3.66 117.46 118.34 3m4a n PHE 83 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.52 3m4a n PHE 83 Cb 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.52 3m4a n PHE 83 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3m4a n VAL 84 N 0.49 0.00 -4.00 -4.37 0.24 -0.93 -4.84 118.33 104.92 3m4a n VAL 84 Ca 0.10 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.34 61.91 3m4a n VAL 84 Cb 0.45 0.75 -0.17 0.00 -1.47 0.00 0.00 33.84 33.40 3m4a n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m4a s ALA 88 N -2.55 1.40 0.17 2.33 0.00 -1.24 -4.99 121.76 116.87 3m4a s ALA 88 Ca 0.02 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.47 3m4a s ALA 88 Cb 0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3m4a s ALA 88 CO 0.60 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 175.33 3m4a s LEU 89 N 1.55 2.46 0.61 0.00 1.43 -1.26 -5.03 118.68 118.44 3m4a s LEU 89 Ca 0.03 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 3m4a s LEU 89 Cb -0.13 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 3m4a s LEU 89 CO -0.07 -0.10 1.08 -0.54 0.23 0.00 0.00 176.35 176.95 3m4a s LYS 90 N -3.00 3.19 0.23 1.70 1.02 -1.26 -4.86 119.74 116.75 3m4a s LYS 90 Ca 0.16 1.29 -0.07 0.00 0.02 0.00 0.00 55.97 57.37 3m4a s LYS 90 Cb -0.04 -2.01 0.35 0.00 -0.52 0.00 0.00 37.83 35.61 3m4a s LYS 90 CO 0.06 -0.93 1.77 -0.22 -0.92 0.00 0.00 175.35 175.10 3m4a h LYS 91 N 0.41 0.53 -0.40 1.68 3.64 -2.00 -0.86 116.57 119.57 3m4a h LYS 91 Ca -0.47 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3m4a h LYS 91 Cb 1.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3m4a h LYS 91 CO 0.56 0.35 0.17 0.11 -2.27 0.00 0.00 179.45 178.38 3m4a h TRP 92 N 0.55 0.55 -0.06 1.91 5.08 -1.97 -0.21 115.95 121.81 3m4a h TRP 92 Ca 0.35 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.29 3m4a h TRP 92 Cb 0.41 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3m4a h TRP 92 CO -0.12 0.43 -0.03 1.96 -1.28 0.00 0.00 178.44 179.40 3m4a h GLN 93 N 0.56 0.12 -0.74 0.12 4.20 -1.56 -1.69 115.11 116.11 3m4a h GLN 93 Ca 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3m4a h GLN 93 Cb 0.10 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3m4a h GLN 93 CO -0.02 0.49 0.41 -0.09 -0.67 0.00 0.00 178.83 178.96 3m4a h ARG 94 N -0.26 1.03 -0.19 1.46 2.43 -1.03 -2.62 114.38 115.20 3m4a h ARG 94 Ca 0.01 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 3m4a h ARG 94 Cb 0.46 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3m4a h ARG 94 CO 0.01 0.76 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.65 3m4a h LEU 95 N 1.02 0.57 -0.73 3.80 3.38 -1.04 0.75 115.31 123.06 3m4a h LEU 95 Ca 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3m4a h LEU 95 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3m4a h LEU 95 CO -0.04 0.98 0.40 0.71 0.09 0.00 0.00 178.44 180.57 3m4a h THR 96 N 0.41 1.22 -0.37 0.22 1.35 -1.21 0.01 112.91 114.55 3m4a h THR 96 Ca 0.02 -0.57 -0.15 0.00 -0.55 0.00 0.00 66.41 65.16 3m4a h THR 96 Cb 1.03 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3m4a h THR 96 CO 0.09 0.25 -0.35 -0.09 -0.25 0.00 0.00 175.52 175.18 3m4a h ARG 97 N 1.01 0.88 -0.74 4.72 9.65 -1.24 -2.39 114.38 126.27 3m4a h ARG 97 Ca 0.26 -0.46 0.06 0.00 -1.10 0.00 0.00 59.98 58.73 3m4a h ARG 97 Cb 0.05 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.58 3m4a h ARG 97 CO -0.04 1.11 0.44 0.35 2.80 0.00 0.00 179.97 184.62 3m4a h PHE 98 N 0.69 0.81 -0.09 2.20 3.57 -0.61 -0.98 116.94 122.53 3m4a h PHE 98 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3m4a h PHE 98 Cb 0.94 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3m4a h PHE 98 CO 0.07 0.40 -0.02 0.00 -2.23 0.00 0.00 178.31 176.52 3m4a h ALA 99 N 1.37 1.80 0.00 2.41 0.00 -0.82 -0.34 119.26 123.69 3m4a h ALA 99 Ca 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3m4a h ALA 99 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m4a h ALA 99 CO -0.17 0.15 -0.15 0.78 0.00 0.00 0.00 179.25 179.86 3m4a h GLY 100 N 0.33 0.00 0.91 0.00 0.00 -0.67 -3.06 103.07 100.58 3m4a h GLY 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3m4a h GLY 100 CO 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 3m4a n ALA 101 N -2.25 3.14 -0.07 3.60 0.00 -0.18 -4.42 120.51 120.33 3m4a n ALA 101 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3m4a n ALA 101 Cb 0.30 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.69 3m4a n ALA 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3m4a h LEU 102 N 0.00 0.84 -0.92 0.00 3.38 -1.33 -1.93 115.31 115.35 3m4a h LEU 102 Ca 0.00 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3m4a h LEU 102 Cb 0.73 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3m4a h LEU 102 CO 0.00 1.15 0.60 -0.65 0.09 0.00 0.00 178.44 179.63 3m4a h PRO 103 N 0.63 1.14 -0.70 1.13 0.11 -1.74 -0.85 132.00 131.72 3m4a h PRO 103 Ca 0.04 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3m4a h PRO 103 Cb 1.00 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3m4a h PRO 103 CO 0.10 0.75 0.29 1.15 -0.21 0.00 0.00 178.00 180.08 3m4a h THR 104 N 1.17 1.24 -0.49 -1.15 2.02 -1.80 -2.17 112.91 111.74 3m4a h THR 104 Ca 0.36 -0.75 0.07 0.00 0.77 0.00 0.00 66.41 66.86 3m4a h THR 104 Cb -0.03 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 66.74 3m4a h THR 104 CO -0.11 0.30 0.14 0.25 0.37 0.00 0.00 175.52 176.47 3m4a h LEU 105 N 1.00 0.09 -0.79 2.58 5.85 -0.86 -1.69 115.31 121.49 3m4a h LEU 105 Ca 0.24 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 3m4a h LEU 105 Cb 0.19 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3m4a h LEU 105 CO -0.02 0.08 0.46 0.11 -0.34 0.00 0.00 178.44 178.73 3m4a h LYS 106 N 0.29 1.08 -0.26 1.25 1.79 -0.84 0.65 116.57 120.54 3m4a h LYS 106 Ca 0.24 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3m4a h LYS 106 Cb 0.29 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3m4a h LYS 106 CO -0.28 0.78 0.14 0.28 -1.08 0.00 0.00 179.45 179.29 3m4a h VAL 107 N 1.08 1.12 -0.28 0.50 2.07 -1.11 -0.35 116.25 119.28 3m4a h VAL 107 Ca 0.28 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3m4a h VAL 107 Cb -0.01 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3m4a h VAL 107 CO -0.05 0.12 0.07 0.00 0.02 0.00 0.00 177.57 177.73 3m4a h ALA 108 N 1.02 0.37 -0.24 1.67 0.00 -1.04 -2.04 119.26 119.00 3m4a h ALA 108 Ca 0.09 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3m4a h ALA 108 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3m4a h ALA 108 CO -0.01 0.02 -0.55 1.79 0.00 0.00 0.00 179.25 180.50 3m4a h THR 109 N 0.29 1.30 -0.50 0.00 1.35 -0.83 -2.53 112.91 111.99 3m4a h THR 109 Ca 0.09 -1.77 0.04 0.00 -0.55 0.00 0.00 66.41 64.22 3m4a h THR 109 Cb 0.28 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3m4a h THR 109 CO 0.00 0.56 0.26 0.74 -0.25 0.00 0.00 175.52 176.83 3m4a h THR 110 N 0.55 0.98 -0.31 6.82 2.02 -1.03 -0.84 112.91 121.09 3m4a h THR 110 Ca 0.01 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.07 3m4a h THR 110 Cb 1.13 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3m4a h THR 110 CO 0.11 0.09 -0.03 0.00 0.37 0.00 0.00 175.52 176.07 3m4a h ALA 111 N 1.26 0.26 -0.40 6.16 0.00 -1.18 -1.68 119.26 123.67 3m4a h ALA 111 Ca 0.21 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3m4a h ALA 111 Cb 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3m4a h ALA 111 CO -0.14 -0.43 0.11 -0.44 0.00 0.00 0.00 179.25 178.35 3m4a h ASP 112 N 0.06 0.53 0.73 0.00 3.32 -1.12 -2.63 116.42 117.30 3m4a h ASP 112 Ca 0.15 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3m4a h ASP 112 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3m4a h ASP 112 CO -0.28 0.52 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.50 3m4a h LEU 113 N 0.57 0.00 -0.29 1.55 3.38 -0.26 -3.08 115.31 117.17 3m4a h LEU 113 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3m4a h LEU 113 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m4a h LEU 113 CO -0.01 0.19 0.00 0.54 0.09 0.00 0.00 178.44 179.25 3m4a n ARG 114 N -3.47 0.12 -1.40 1.13 1.74 -0.86 -4.83 116.66 109.10 3m4a n ARG 114 Ca -0.01 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 3m4a n ARG 114 Cb 0.36 -1.70 0.10 0.00 -1.02 0.00 0.00 32.46 30.20 3m4a n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m4a s ALA 115 N -3.15 2.09 0.41 7.54 0.00 -1.16 -5.02 121.76 122.46 3m4a s ALA 115 Ca 0.07 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3m4a s ALA 115 Cb 0.11 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 3m4a s ALA 115 CO 0.40 -1.93 0.84 -1.12 0.00 0.00 0.00 175.76 173.95 3m4a s SER 116 N -2.00 6.70 0.64 0.00 0.01 -1.26 -4.90 113.70 112.88 3m4a s SER 116 Ca 0.75 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.38 3m4a s SER 116 Cb -0.30 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3m4a s SER 116 CO 0.46 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3m4a n GLY 117 N -0.94 1.17 2.49 3.44 0.00 -1.26 -4.33 105.19 105.76 3m4a n GLY 117 Ca 0.04 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 3m4a n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4a n LEU 118 N 0.00 2.39 -4.77 0.99 4.77 -1.26 -5.00 117.00 114.12 3m4a n LEU 118 Ca 0.00 -5.27 -0.30 0.00 -0.03 0.00 0.00 56.01 50.42 3m4a n LEU 118 Cb 0.00 0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3m4a n LEU 118 CO 0.00 2.27 0.70 -2.16 -1.33 0.00 0.00 177.39 176.86 3m4a s PRO 119 N -2.68 1.67 0.18 3.23 0.04 -1.26 -1.65 135.00 134.53 3m4a s PRO 119 Ca 0.43 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 3m4a s PRO 119 Cb 0.29 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 33.13 3m4a s PRO 119 CO -0.10 -1.91 1.71 -1.35 0.04 0.00 0.00 177.00 175.39 3m4a h PRO 120 N -1.30 0.19 -0.01 0.56 0.11 -1.95 -1.79 132.00 127.81 3m4a h PRO 120 Ca -0.48 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3m4a h PRO 120 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3m4a h PRO 120 CO 0.58 0.13 -0.40 0.00 -0.21 0.00 0.00 178.00 178.10 3m4a h ARG 121 N 0.20 0.02 -0.23 1.05 3.08 -1.93 -0.37 114.38 116.21 3m4a h ARG 121 Ca 0.24 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3m4a h ARG 121 Cb 0.32 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3m4a h ARG 121 CO -0.33 0.42 -0.16 -0.22 -1.07 0.00 0.00 179.97 178.61 3m4a h LYS 122 N 0.02 0.51 -0.66 0.04 3.64 -1.50 0.32 116.57 118.93 3m4a h LYS 122 Ca -0.00 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 3m4a h LYS 122 Cb 0.72 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3m4a h LYS 122 CO 0.05 0.81 0.23 0.28 -2.27 0.00 0.00 179.45 178.56 3m4a h VAL 123 N 0.21 1.25 -0.36 2.00 2.07 -1.13 -0.58 116.25 119.71 3m4a h VAL 123 Ca 0.04 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3m4a h VAL 123 Cb 0.69 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3m4a h VAL 123 CO 0.04 0.32 -0.11 0.24 0.02 0.00 0.00 177.57 178.08 3m4a h MET 124 N 0.95 0.64 -0.78 1.57 2.86 -1.04 -0.87 114.93 118.26 3m4a h MET 124 Ca 0.22 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3m4a h MET 124 Cb 0.25 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3m4a h MET 124 CO -0.01 0.74 0.30 0.00 1.06 0.00 0.00 176.91 178.99 3m4a h ALA 125 N 1.29 1.01 -0.53 6.32 0.00 -0.53 0.01 119.26 126.83 3m4a h ALA 125 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3m4a h ALA 125 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m4a h ALA 125 CO 0.03 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 180.07 3m4a h LEU 126 N 1.13 0.74 -0.88 0.00 3.38 -0.73 -0.43 115.31 118.52 3m4a h LEU 126 Ca 0.26 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3m4a h LEU 126 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3m4a h LEU 126 CO -0.02 0.71 0.16 0.24 0.09 0.00 0.00 178.44 179.61 3m4a h MET 127 N 0.72 0.98 -0.54 1.13 2.86 -0.92 -1.15 114.93 118.01 3m4a h MET 127 Ca 0.18 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3m4a h MET 127 Cb 0.20 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3m4a h MET 127 CO -0.01 0.87 -0.07 1.15 1.06 0.00 0.00 176.91 179.90 3m4a h THR 128 N 0.94 1.27 -0.74 2.22 2.02 -0.76 -1.19 112.91 116.66 3m4a h THR 128 Ca 0.20 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.17 3m4a h THR 128 Cb 0.33 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3m4a h THR 128 CO -0.00 0.43 0.49 -0.09 0.37 0.00 0.00 175.52 176.71 3m4a h ARG 129 N 0.88 0.98 -0.76 6.66 2.43 -0.75 -1.52 114.38 122.30 3m4a h ARG 129 Ca 0.14 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3m4a h ARG 129 Cb 0.63 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3m4a h ARG 129 CO 0.04 0.66 0.36 -0.07 -1.51 0.00 0.00 179.97 179.45 3m4a h LEU 130 N 1.01 1.00 -0.71 3.80 3.38 -0.72 0.07 115.31 123.14 3m4a h LEU 130 Ca 0.27 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3m4a h LEU 130 Cb -0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3m4a h LEU 130 CO -0.06 0.85 0.46 -0.07 0.09 0.00 0.00 178.44 179.71 3m4a h LEU 131 N 1.09 0.78 0.22 1.67 3.38 -0.88 -0.45 115.31 121.12 3m4a h LEU 131 Ca 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3m4a h LEU 131 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3m4a h LEU 131 CO -0.03 0.56 -0.11 -0.74 0.09 0.00 0.00 178.44 178.21 3m4a h HIS 132 N 0.93 -0.28 0.00 1.13 2.76 -0.77 -1.75 115.15 117.17 3m4a h HIS 132 Ca 0.27 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3m4a h HIS 132 Cb -0.05 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.00 3m4a h HIS 132 CO -0.03 0.09 -0.79 -0.39 -1.30 0.00 0.00 177.93 175.51 3m4a h VAL 133 N -0.74 0.00 0.00 5.26 -1.51 -1.03 -3.38 116.25 114.85 3m4a h VAL 133 Ca -0.03 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3m4a h VAL 133 Cb 0.50 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3m4a h VAL 133 CO 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 3m4a n ALA 134 N -2.05 1.83 -2.79 5.19 0.00 -0.19 -5.02 120.51 117.48 3m4a n ALA 134 Ca 0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 3m4a n ALA 134 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.98 3m4a n ALA 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m4a n ARG 135 N -0.16 -3.44 -1.79 0.00 1.74 -0.66 -4.96 116.66 107.39 3m4a n ARG 135 Ca 0.00 0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 57.38 3m4a n ARG 135 Cb 0.05 -4.95 0.05 0.00 -1.02 0.00 0.00 32.46 26.59 3m4a n ARG 135 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3m4a s PHE 136 N -2.98 2.37 0.44 -1.55 0.08 -1.26 -4.87 117.98 110.22 3m4a s PHE 136 Ca 0.21 1.55 -0.19 0.00 0.12 0.00 0.00 56.93 58.63 3m4a s PHE 136 Cb -0.09 -3.37 -0.10 0.00 -0.57 0.00 0.00 43.02 38.89 3m4a s PHE 136 CO 0.26 -2.13 0.93 1.03 -0.10 0.00 0.00 175.22 175.21 3m4a s ARG 137 N -3.71 4.10 0.09 0.44 0.52 -1.26 -4.84 118.95 114.29 3m4a s ARG 137 Ca 0.73 1.00 -0.14 0.00 -0.52 0.00 0.00 55.73 56.80 3m4a s ARG 137 Cb -0.27 -2.20 -0.17 0.00 0.52 0.00 0.00 34.95 32.83 3m4a s ARG 137 CO 0.38 -0.09 1.27 0.28 0.02 0.00 0.00 175.30 177.17 3m4a h VAL 138 N 1.58 1.29 -0.22 3.52 2.07 -1.95 0.12 116.25 122.67 3m4a h VAL 138 Ca -0.48 -1.99 0.03 0.00 0.82 0.00 0.00 66.70 65.08 3m4a h VAL 138 Cb 1.18 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3m4a h VAL 138 CO 0.62 0.62 -0.04 0.61 0.02 0.00 0.00 177.57 179.40 3m4a n GLY 139 N 0.76 -1.40 3.37 2.17 0.00 -1.26 -0.66 105.19 108.17 3m4a n GLY 139 Ca -0.08 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3m4a n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m4a s SER 140 N -2.71 -0.39 0.12 1.61 1.04 -1.26 -4.73 113.70 107.38 3m4a s SER 140 Ca 0.00 0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.52 3m4a s SER 140 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3m4a s SER 140 CO 0.00 -0.59 1.67 0.44 0.98 0.00 0.00 173.24 175.74 3m4a h ASP 141 N 3.22 0.46 -0.57 7.02 5.19 -1.96 -0.87 116.42 128.91 3m4a h ASP 141 Ca -0.29 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 3m4a h ASP 141 Cb 1.18 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 3m4a h ASP 141 CO 0.41 0.49 0.15 0.40 -3.12 0.00 0.00 179.24 177.57 3m4a h ILE 142 N 0.39 1.25 -0.28 0.35 2.04 -1.99 0.17 117.51 119.44 3m4a h ILE 142 Ca 0.11 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3m4a h ILE 142 Cb 0.17 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3m4a h ILE 142 CO -0.01 0.32 0.11 0.22 0.00 0.00 0.00 178.15 178.80 3m4a h TYR 143 N 0.81 0.42 -0.76 1.37 3.20 -1.95 -2.69 116.97 117.38 3m4a h TYR 143 Ca 0.18 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3m4a h TYR 143 Cb 0.33 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3m4a h TYR 143 CO 0.02 0.42 0.40 0.00 -1.64 0.00 0.00 178.16 177.36 3m4a h ALA 144 N 0.96 0.97 -0.69 1.82 0.00 -0.92 -0.90 119.26 120.50 3m4a h ALA 144 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3m4a h ALA 144 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m4a h ALA 144 CO -0.01 0.51 0.34 -0.09 0.00 0.00 0.00 179.25 180.00 3m4a h ARG 145 N 1.06 0.98 0.22 0.00 2.43 -0.84 0.19 114.38 118.41 3m4a h ARG 145 Ca 0.26 -0.12 -0.33 0.00 -0.81 0.00 0.00 59.98 58.98 3m4a h ARG 145 Cb 0.07 -0.19 0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3m4a h ARG 145 CO -0.04 0.75 -1.51 0.37 -1.51 0.00 0.00 179.97 178.03 3m4a h GLN 146 N 0.98 0.47 0.00 0.20 5.75 -1.27 -3.38 115.11 117.85 3m4a h GLN 146 Ca 0.24 -0.80 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 3m4a h GLN 146 Cb 0.08 0.30 0.00 0.00 1.07 0.00 0.00 27.48 28.93 3m4a h GLN 146 CO -0.03 1.38 -1.24 0.72 -2.65 0.00 0.00 178.83 177.01 3m4a n HIS 147 N -3.73 0.17 -3.58 3.99 8.25 -0.36 -4.97 115.22 114.99 3m4a n HIS 147 Ca -0.19 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.05 3m4a n HIS 147 Cb 1.06 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 31.85 3m4a n HIS 147 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3m4a n LYS 148 N -1.95 -6.16 -4.34 -0.41 4.76 0.65 -5.00 118.16 105.71 3m4a n LYS 148 Ca 0.01 0.73 -0.18 0.00 -2.87 0.00 0.00 58.31 56.01 3m4a n LYS 148 Cb 0.45 -5.67 -0.10 0.00 -1.84 0.00 0.00 35.03 27.86 3m4a n LYS 148 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m4a s THR 149 N -3.25 1.37 0.16 -0.18 -4.23 -1.25 -4.99 115.64 103.27 3m4a s THR 149 Ca 0.55 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 3m4a s THR 149 Cb -0.26 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 3m4a s THR 149 CO 0.68 -0.48 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.80 3m4a s TYR 150 N -3.20 1.63 0.20 3.99 1.51 -0.15 -4.29 117.35 117.04 3m4a s TYR 150 Ca 0.24 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3m4a s TYR 150 Cb 0.03 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 3m4a s TYR 150 CO 0.07 0.26 0.13 0.41 -1.11 0.00 0.00 175.55 175.31 3m4a n GLY 151 N 0.25 3.50 0.18 0.71 0.00 -1.26 -4.07 105.19 104.49 3m4a n GLY 151 Ca -0.13 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 3m4a n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m4a h LEU 152 N 0.00 0.06 -0.16 0.99 5.85 -0.80 -2.13 115.31 119.12 3m4a h LEU 152 Ca -0.14 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3m4a h LEU 152 Cb 0.66 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3m4a h LEU 152 CO 0.22 0.07 0.00 -1.54 -0.34 0.00 0.00 178.44 176.85 3m4a n SER 153 N -5.07 0.34 -0.59 1.25 3.41 0.16 -2.68 113.62 110.44 3m4a n SER 153 Ca 0.03 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.26 3m4a n SER 153 Cb 0.19 -0.64 0.16 0.00 -0.26 0.00 0.00 64.21 63.66 3m4a n SER 153 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m4a n THR 154 N -1.84 1.38 -2.15 6.66 -2.24 -0.84 -4.76 114.28 110.48 3m4a n THR 154 Ca 0.05 -1.29 -0.38 0.00 -2.27 0.00 0.00 64.05 60.16 3m4a n THR 154 Cb 0.29 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3m4a n THR 154 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m4a s LEU 155 N -1.57 4.04 0.21 3.22 1.43 -0.98 -4.73 118.68 120.29 3m4a s LEU 155 Ca 0.25 2.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.84 3m4a s LEU 155 Cb 0.17 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 3m4a s LEU 155 CO 0.11 -0.98 0.29 -0.13 0.23 0.00 0.00 176.35 175.87 3m4a s ARG 156 N -2.61 3.30 0.51 1.70 0.52 -1.26 -2.11 118.95 118.99 3m4a s ARG 156 Ca 0.63 -0.77 0.23 0.00 -0.52 0.00 0.00 55.73 55.30 3m4a s ARG 156 Cb -0.32 -2.84 1.32 0.00 0.52 0.00 0.00 34.95 33.63 3m4a s ARG 156 CO 0.39 0.46 1.98 1.96 0.02 0.00 0.00 175.30 180.12 3m4a h GLN 157 N 1.64 0.09 0.00 3.54 4.20 -0.92 -1.60 115.11 122.05 3m4a h GLN 157 Ca -0.50 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3m4a h GLN 157 Cb 1.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3m4a h GLN 157 CO 0.63 0.06 0.00 2.89 -0.67 0.00 0.00 178.83 181.74 3m4a n ARG 158 N -4.40 0.03 0.00 1.46 1.85 -1.26 -2.70 116.66 111.64 3m4a n ARG 158 Ca 0.10 0.29 0.13 0.00 -1.00 0.00 0.00 57.85 57.38 3m4a n ARG 158 Cb 0.58 -1.50 0.42 0.00 -1.05 0.00 0.00 32.46 30.91 3m4a n ARG 158 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3m4a n HIS 159 N -1.46 0.00 -4.05 2.89 8.25 -0.60 -4.94 115.22 115.31 3m4a n HIS 159 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 3m4a n HIS 159 Cb 0.12 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 3m4a n HIS 159 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3m4a s VAL 160 N -2.05 0.42 0.00 1.59 0.11 -1.10 -0.95 120.40 118.42 3m4a s VAL 160 Ca 0.35 -1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.25 3m4a s VAL 160 Cb 0.21 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3m4a s VAL 160 CO 0.35 -0.47 0.04 0.54 -3.33 0.00 0.00 175.10 172.23 3m4a s VAL 161 N -1.66 0.07 -0.16 2.04 0.11 -0.45 -5.01 120.40 115.35 3m4a s VAL 161 Ca -0.09 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3m4a s VAL 161 Cb -0.08 -0.26 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3m4a s VAL 161 CO -0.01 -0.32 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.60 3m4a s VAL 162 N -1.00 2.64 -0.30 2.04 1.01 -1.26 -0.95 120.40 122.57 3m4a s VAL 162 Ca -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3m4a s VAL 162 Cb -0.07 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.30 3m4a s VAL 162 CO -0.00 0.52 0.06 -0.62 0.00 0.00 0.00 175.10 175.05 3m4a s ASP 163 N 0.83 4.16 1.66 3.32 2.15 0.10 -5.01 116.67 123.88 3m4a s ASP 163 Ca -0.05 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.26 3m4a s ASP 163 Cb -0.15 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 3m4a s ASP 163 CO -0.00 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 3m4a n GLY 164 N 4.66 3.95 0.69 2.66 0.00 -1.26 -1.36 105.19 114.53 3m4a n GLY 164 Ca -0.02 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3m4a n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m4a n ASN 165 N 7.87 2.14 -4.61 1.61 3.02 -1.26 -4.84 115.26 119.19 3m4a n ASN 165 Ca 0.00 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 3m4a n ASN 165 Cb 0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 3m4a n ASN 165 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m4a s THR 166 N -1.99 4.93 -0.20 3.41 2.01 -0.47 -4.05 115.64 119.29 3m4a s THR 166 Ca 0.34 1.03 -0.07 0.00 0.31 0.00 0.00 61.69 63.30 3m4a s THR 166 Cb 0.21 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3m4a s THR 166 CO 0.32 -0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.51 3m4a s VAL 167 N 2.62 4.42 -0.08 3.82 1.01 -0.76 -0.72 120.40 130.71 3m4a s VAL 167 Ca 0.27 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3m4a s VAL 167 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3m4a s VAL 167 CO 0.10 0.42 -0.22 -0.89 0.00 0.00 0.00 175.10 174.51 3m4a s THR 168 N 0.84 2.26 -0.08 3.92 2.01 -0.12 -1.32 115.64 123.15 3m4a s THR 168 Ca 0.03 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.07 3m4a s THR 168 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 3m4a s THR 168 CO 0.02 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.05 3m4a s PHE 169 N 0.07 2.83 -0.12 4.92 0.08 0.10 -1.35 117.98 124.51 3m4a s PHE 169 Ca -0.10 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 3m4a s PHE 169 Cb -0.16 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3m4a s PHE 169 CO 0.06 0.12 0.06 1.03 -0.10 0.00 0.00 175.22 176.39 3m4a s ARG 170 N -0.40 0.18 0.09 0.44 0.52 -0.13 -2.03 118.95 117.63 3m4a s ARG 170 Ca 0.05 0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.10 3m4a s ARG 170 Cb -0.12 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.03 3m4a s ARG 170 CO 0.02 -0.51 0.47 -0.59 0.02 0.00 0.00 175.30 174.71 3m4a s PHE 171 N 2.09 -0.33 -0.38 -0.53 -0.12 -0.90 -4.57 117.98 113.24 3m4a s PHE 171 Ca 0.03 0.18 -0.28 0.00 -0.05 0.00 0.00 56.93 56.81 3m4a s PHE 171 Cb -0.14 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3m4a s PHE 171 CO -0.07 -0.68 1.07 0.21 -0.05 0.00 0.00 175.22 175.70 3m4a s LYS 172 N -3.17 3.90 0.00 1.99 2.20 -1.26 -0.60 119.74 122.81 3m4a s LYS 172 Ca -0.01 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 3m4a s LYS 172 Cb 0.00 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3m4a s LYS 172 CO -0.07 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.25 3m4a n GLY 173 N 4.30 1.18 3.67 5.54 0.00 0.82 -0.98 105.19 119.73 3m4a n GLY 173 Ca 0.11 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.70 3m4a n GLY 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m4a n LYS 174 N -0.70 1.96 -1.24 1.61 4.81 -1.26 -1.20 118.16 122.14 3m4a n LYS 174 Ca 0.00 0.69 -0.08 0.00 -0.87 0.00 0.00 58.31 58.05 3m4a n LYS 174 Cb 0.00 -2.25 -0.04 0.00 0.02 0.00 0.00 35.03 32.76 3m4a n LYS 174 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3m4a n HIS 175 N 0.77 0.00 -0.87 5.64 8.25 -1.26 -3.05 115.22 124.70 3m4a n HIS 175 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3m4a n HIS 175 Cb 0.34 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.20 3m4a n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4a n GLY 176 N -0.32 0.55 3.74 -1.41 0.00 -0.34 -5.02 105.19 102.38 3m4a n GLY 176 Ca -0.08 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3m4a n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4a s VAL 177 N -2.00 3.45 -0.21 1.61 0.11 -1.17 -4.71 120.40 117.47 3m4a s VAL 177 Ca 0.00 1.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.98 3m4a s VAL 177 Cb 0.00 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 3m4a s VAL 177 CO 0.00 0.20 1.42 -0.44 -3.33 0.00 0.00 175.10 172.95 3m4a s SER 178 N 0.12 6.65 -0.09 3.54 0.01 -1.26 -0.13 113.70 122.55 3m4a s SER 178 Ca 0.53 1.57 -0.03 0.00 1.31 0.00 0.00 55.95 59.33 3m4a s SER 178 Cb -0.34 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.32 3m4a s SER 178 CO 0.38 -1.03 0.03 -1.10 0.41 0.00 0.00 173.24 171.93 3m4a s GLN 179 N 4.13 3.07 -0.05 12.44 -1.52 0.24 -4.92 119.66 133.05 3m4a s GLN 179 Ca 0.62 -0.36 0.02 0.00 -1.95 0.00 0.00 55.36 53.69 3m4a s GLN 179 Cb -0.22 -2.87 0.01 0.00 -0.22 0.00 0.00 33.01 29.71 3m4a s GLN 179 CO 0.23 0.72 -0.09 -1.58 -0.25 0.00 0.00 175.29 174.32 3m4a s HIS 180 N -0.93 1.07 0.04 0.91 5.65 -1.26 -2.11 115.29 118.65 3m4a s HIS 180 Ca 0.14 -0.33 -0.03 0.00 0.25 0.00 0.00 55.06 55.09 3m4a s HIS 180 Cb -0.11 -0.81 -0.02 0.00 -1.18 0.00 0.00 32.58 30.45 3m4a s HIS 180 CO 0.03 -0.19 0.04 0.15 -0.65 0.00 0.00 174.74 174.12 3m4a s LYS 181 N 0.60 0.53 -0.00 2.88 1.02 -0.86 -4.94 119.74 118.96 3m4a s LYS 181 Ca -0.10 -0.82 -0.18 0.00 0.02 0.00 0.00 55.97 54.88 3m4a s LYS 181 Cb -0.13 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.41 3m4a s LYS 181 CO 0.02 -0.12 0.40 0.00 -0.92 0.00 0.00 175.35 174.73 3m4a s ALA 182 N -2.62 -1.00 0.10 5.17 0.00 -1.26 -0.72 121.76 121.43 3m4a s ALA 182 Ca -0.05 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3m4a s ALA 182 Cb -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3m4a s ALA 182 CO -0.05 -0.33 -0.07 0.95 0.00 0.00 0.00 175.76 176.25 3m4a s THR 183 N -1.66 0.77 0.00 0.00 -4.23 -0.44 -4.89 115.64 105.19 3m4a s THR 183 Ca -0.11 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3m4a s THR 183 Cb -0.03 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3m4a s THR 183 CO 0.03 -0.78 0.35 -1.54 -0.54 0.00 0.00 174.62 172.13 3m4a n SER 184 N 0.13 0.69 -4.72 3.99 3.41 -1.26 -1.83 113.62 114.03 3m4a n SER 184 Ca -0.13 -0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 3m4a n SER 184 Cb 0.60 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3m4a n SER 184 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m4a s ASP 185 N -0.24 6.80 0.21 4.04 2.15 -1.26 -4.79 116.67 123.59 3m4a s ASP 185 Ca 0.00 2.41 -0.09 0.00 0.43 0.00 0.00 52.55 55.30 3m4a s ASP 185 Cb 0.00 -2.60 0.20 0.00 -0.30 0.00 0.00 42.92 40.22 3m4a s ASP 185 CO 0.00 -0.65 1.87 0.03 -0.17 0.00 0.00 175.17 176.25 3m4a h ARG 186 N 6.31 0.94 -0.36 4.34 3.08 -1.97 -2.08 114.38 124.64 3m4a h ARG 186 Ca -0.43 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 3m4a h ARG 186 Cb 1.21 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3m4a h ARG 186 CO 0.84 0.62 -0.03 1.15 -1.07 0.00 0.00 179.97 181.48 3m4a h THR 187 N 0.97 1.27 -0.38 2.04 2.02 -1.97 -1.06 112.91 115.81 3m4a h THR 187 Ca 0.29 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3m4a h THR 187 Cb -0.03 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3m4a h THR 187 CO -0.09 0.35 0.22 -0.07 0.37 0.00 0.00 175.52 176.30 3m4a h LEU 188 N 0.46 0.37 -0.40 2.58 3.38 -1.93 -1.84 115.31 117.92 3m4a h LEU 188 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3m4a h LEU 188 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3m4a h LEU 188 CO 0.02 0.26 0.20 0.00 0.09 0.00 0.00 178.44 179.02 3m4a h ALA 189 N 1.16 0.51 -0.61 1.53 0.00 -1.11 0.83 119.26 121.57 3m4a h ALA 189 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3m4a h ALA 189 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3m4a h ALA 189 CO -0.06 0.06 0.26 0.00 0.00 0.00 0.00 179.25 179.50 3m4a h ALA 190 N 1.05 0.79 0.00 0.00 0.00 -1.07 -2.43 119.26 117.61 3m4a h ALA 190 Ca 0.14 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3m4a h ALA 190 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3m4a h ALA 190 CO -0.02 0.40 -0.76 -0.91 0.00 0.00 0.00 179.25 177.96 3m4a h ASN 191 N 0.85 0.00 -0.54 0.00 2.35 -1.23 -2.89 115.58 114.13 3m4a h ASN 191 Ca 0.21 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3m4a h ASN 191 Cb 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3m4a h ASN 191 CO -0.02 0.76 0.12 0.24 -1.65 0.00 0.00 177.43 176.88 3m4a h MET 192 N 0.00 0.92 -0.59 0.81 2.86 -0.67 -0.44 114.93 117.81 3m4a h MET 192 Ca -0.01 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3m4a h MET 192 Cb 1.57 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 33.07 3m4a h MET 192 CO 0.10 0.84 0.37 1.96 1.06 0.00 0.00 176.91 181.24 3m4a h GLN 193 N 0.88 0.72 -0.67 1.72 1.08 -1.30 -0.72 115.11 116.82 3m4a h GLN 193 Ca 0.19 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3m4a h GLN 193 Cb 0.35 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 3m4a h GLN 193 CO 0.00 0.48 0.33 0.87 -0.95 0.00 0.00 178.83 179.56 3m4a h LYS 194 N 0.75 0.95 -0.62 1.46 1.57 -1.24 -2.18 116.57 117.26 3m4a h LYS 194 Ca 0.23 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3m4a h LYS 194 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3m4a h LYS 194 CO -0.08 0.75 0.38 -0.07 -0.57 0.00 0.00 179.45 179.85 3m4a h LEU 195 N 0.92 0.74 -1.82 2.94 3.38 -0.73 -2.56 115.31 118.18 3m4a h LEU 195 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3m4a h LEU 195 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3m4a h LEU 195 CO -0.03 0.58 0.00 -0.07 0.09 0.00 0.00 178.44 179.01 3m4a h LEU 196 N 0.84 0.00 -0.82 1.67 3.38 -0.87 -2.22 115.31 117.29 3m4a h LEU 196 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3m4a h LEU 196 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3m4a h LEU 196 CO -0.04 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.93 3m4a h ASP 197 N 0.00 0.00 -4.12 -0.43 3.32 -0.96 -3.45 116.42 110.78 3m4a h ASP 197 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 3m4a h ASP 197 Cb 0.31 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.88 3m4a h ASP 197 CO 0.00 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.13 3m4a s LEU 198 N -5.63 3.75 0.37 1.55 1.43 -0.84 -5.00 118.68 114.31 3m4a s LEU 198 Ca 0.04 1.77 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3m4a s LEU 198 Cb 0.09 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 3m4a s LEU 198 CO 0.54 -0.71 1.43 -2.65 0.23 0.00 0.00 176.35 175.19 3m4a n PRO 199 N -1.23 2.51 -0.05 1.29 -0.02 -1.26 -5.01 135.00 131.24 3m4a n PRO 199 Ca 0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3m4a n PRO 199 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3m4a n PRO 199 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4a n GLY 200 N 0.54 -0.98 0.01 -1.23 0.00 -1.26 -4.66 105.19 97.61 3m4a n GLY 200 Ca 0.02 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3m4a n GLY 200 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m4a n PRO 201 N -0.99 0.03 -3.29 1.61 -0.04 -1.26 -5.10 135.00 125.96 3m4a n PRO 201 Ca 0.00 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.12 3m4a n PRO 201 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3m4a n PRO 201 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3m4a s TRP 202 N -2.98 3.40 -0.18 0.54 0.52 -1.26 -0.38 118.94 118.60 3m4a s TRP 202 Ca 0.12 1.04 -0.21 0.00 0.02 0.00 0.00 56.10 57.07 3m4a s TRP 202 Cb 0.18 -2.39 -0.18 0.00 -1.15 0.00 0.00 33.47 29.93 3m4a s TRP 202 CO 0.65 0.19 0.28 1.25 0.02 0.00 0.00 176.95 179.34 3m4a h LEU 203 N 2.41 0.00 -8.12 2.99 5.85 -1.67 -3.40 115.31 113.37 3m4a h LEU 203 Ca -0.47 -0.53 -0.70 0.00 0.84 0.00 0.00 57.88 57.01 3m4a h LEU 203 Cb 1.17 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.00 3m4a h LEU 203 CO 0.67 1.24 0.20 -0.36 -0.34 0.00 0.00 178.44 179.86 3m4a s PHE 204 N -2.27 3.05 0.14 1.25 0.40 -1.26 -4.80 117.98 114.48 3m4a s PHE 204 Ca -0.23 -1.06 0.06 0.00 -0.60 0.00 0.00 56.93 55.10 3m4a s PHE 204 Cb 0.03 -4.04 -0.04 0.00 0.51 0.00 0.00 43.02 39.48 3m4a s PHE 204 CO 0.54 -1.31 -0.14 -0.65 0.70 0.00 0.00 175.22 174.36 3m4a s GLN 205 N 2.58 1.08 0.07 0.44 -0.21 -1.26 -1.62 119.66 120.74 3m4a s GLN 205 Ca 0.14 -1.33 0.10 0.00 0.02 0.00 0.00 55.36 54.29 3m4a s GLN 205 Cb -0.21 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.87 3m4a s GLN 205 CO 0.04 0.16 -0.26 -0.08 -2.12 0.00 0.00 175.29 173.03 3m4a s THR 206 N -2.45 2.15 -0.05 -0.19 -1.32 0.82 -4.88 115.64 109.73 3m4a s THR 206 Ca 0.12 -1.51 0.05 0.00 -1.21 0.00 0.00 61.69 59.15 3m4a s THR 206 Cb -0.03 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.09 3m4a s THR 206 CO 0.03 0.26 -0.21 0.54 -2.21 0.00 0.00 174.62 173.03 3m4a s VAL 207 N -0.89 1.73 -0.11 5.08 0.11 -0.66 -1.89 120.40 123.75 3m4a s VAL 207 Ca 0.12 -0.89 -0.17 0.00 -2.93 0.00 0.00 61.98 58.11 3m4a s VAL 207 Cb -0.10 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.24 3m4a s VAL 207 CO 0.03 0.49 0.44 -0.62 -3.33 0.00 0.00 175.10 172.11 3m4a s ASP 208 N -0.09 6.65 -1.02 3.54 -1.08 0.28 -4.11 116.67 120.84 3m4a s ASP 208 Ca -0.03 0.77 -0.07 0.00 -0.52 0.00 0.00 52.55 52.70 3m4a s ASP 208 Cb -0.12 -2.26 -0.09 0.00 -1.46 0.00 0.00 42.92 38.98 3m4a s ASP 208 CO 0.03 0.05 2.57 0.00 0.52 0.00 0.00 175.17 178.33 3m4a n ALA 209 N 3.49 5.86 0.00 3.66 0.00 -1.26 -0.17 120.51 132.09 3m4a n ALA 209 Ca -0.09 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.89 3m4a n ALA 209 Cb 0.52 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.95 3m4a n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4a n GLY 211 N 3.49 0.00 0.16 0.00 0.00 -1.26 -5.03 105.19 102.55 3m4a n GLY 211 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3m4a n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m4a n GLY 212 N 0.00 0.96 3.77 -0.02 0.00 0.76 -5.07 105.19 105.59 3m4a n GLY 212 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3m4a n GLY 212 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4a s GLU 213 N -0.51 4.30 -0.03 1.61 2.12 -1.24 -4.63 118.70 120.32 3m4a s GLU 213 Ca 0.00 2.30 0.05 0.00 0.36 0.00 0.00 54.97 57.67 3m4a s GLU 213 Cb 0.00 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3m4a s GLU 213 CO 0.00 -0.27 -0.17 0.50 -0.54 0.00 0.00 175.26 174.78 3m4a s ARG 214 N -1.85 1.63 0.20 4.30 3.52 -1.26 -0.55 118.95 124.94 3m4a s ARG 214 Ca 0.50 -0.60 -0.14 0.00 -0.13 0.00 0.00 55.73 55.36 3m4a s ARG 214 Cb -0.41 -1.47 0.01 0.00 -1.56 0.00 0.00 34.95 31.52 3m4a s ARG 214 CO 0.55 0.28 0.45 -0.98 -0.81 0.00 0.00 175.30 174.79 3m4a s ARG 215 N -0.10 1.38 0.44 5.12 1.70 -0.79 -5.00 118.95 121.70 3m4a s ARG 215 Ca -0.00 -1.07 -0.16 0.00 -0.47 0.00 0.00 55.73 54.03 3m4a s ARG 215 Cb -0.10 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 3m4a s ARG 215 CO 0.01 -0.57 0.89 1.03 -1.08 0.00 0.00 175.30 175.59 3m4a s ARG 216 N -3.94 4.00 -0.34 3.89 0.52 -1.26 -0.12 118.95 121.69 3m4a s ARG 216 Ca 0.15 0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 56.01 3m4a s ARG 216 Cb 0.00 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 3m4a s ARG 216 CO 0.02 -0.09 0.62 0.42 0.02 0.00 0.00 175.30 176.29 3m4a s ILE 217 N -2.35 4.92 0.46 1.52 -1.09 -0.64 -4.81 121.20 119.20 3m4a s ILE 217 Ca 0.57 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 59.65 3m4a s ILE 217 Cb -0.10 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3m4a s ILE 217 CO 0.24 -0.26 0.66 -1.00 -1.23 0.00 0.00 174.94 173.36 3m4a s HIS 218 N 2.65 3.10 0.25 3.97 3.76 -1.26 -4.90 115.29 122.86 3m4a s HIS 218 Ca 0.24 0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 55.20 3m4a s HIS 218 Cb -0.15 -2.38 0.45 0.00 1.11 0.00 0.00 32.58 31.61 3m4a s HIS 218 CO 0.14 -0.44 1.79 0.66 -0.85 0.00 0.00 174.74 176.03 3m4a h SER 219 N 0.40 0.60 -0.56 1.40 4.64 -1.86 -2.30 113.55 115.87 3m4a h SER 219 Ca -0.45 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3m4a h SER 219 Cb 1.27 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3m4a h SER 219 CO 0.55 0.31 0.35 0.74 -0.87 0.00 0.00 176.83 177.91 3m4a h THR 220 N 0.71 1.09 -0.40 2.95 2.02 -1.95 0.15 112.91 117.48 3m4a h THR 220 Ca 0.42 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3m4a h THR 220 Cb 0.49 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3m4a h THR 220 CO -0.30 0.13 0.10 -0.08 0.37 0.00 0.00 175.52 175.74 3m4a h GLU 221 N 0.70 0.63 -0.53 6.66 4.81 -1.88 -1.86 114.58 123.12 3m4a h GLU 221 Ca 0.22 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3m4a h GLU 221 Cb -0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3m4a h GLU 221 CO -0.08 0.65 0.18 1.25 -0.73 0.00 0.00 179.01 180.29 3m4a h LEU 222 N 0.50 0.76 -1.49 1.64 5.85 -1.10 -2.12 115.31 119.36 3m4a h LEU 222 Ca 0.13 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3m4a h LEU 222 Cb 0.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3m4a h LEU 222 CO 0.00 0.75 0.07 0.78 -0.34 0.00 0.00 178.44 179.71 3m4a h ASN 223 N 0.73 0.37 -0.59 1.25 2.35 -0.55 -0.67 115.58 118.47 3m4a h ASN 223 Ca 0.17 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3m4a h ASN 223 Cb 0.25 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3m4a h ASN 223 CO -0.01 0.38 0.00 0.00 -1.65 0.00 0.00 177.43 176.15 3m4a h ALA 224 N 1.68 0.86 -0.28 -0.83 0.00 -0.97 -1.11 119.26 118.61 3m4a h ALA 224 Ca 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3m4a h ALA 224 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3m4a h ALA 224 CO -0.00 0.67 0.15 -0.92 0.00 0.00 0.00 179.25 179.15 3m4a h TYR 225 N 0.96 0.38 -0.76 0.00 3.20 -0.76 -2.35 116.97 117.65 3m4a h TYR 225 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3m4a h TYR 225 Cb 0.55 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3m4a h TYR 225 CO 0.04 0.31 0.49 -0.07 -1.64 0.00 0.00 178.16 177.29 3m4a h LEU 226 N 0.34 0.89 -0.78 2.82 3.38 -1.02 -1.12 115.31 119.81 3m4a h LEU 226 Ca 0.10 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3m4a h LEU 226 Cb 0.06 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 3m4a h LEU 226 CO -0.02 0.66 0.41 0.03 0.09 0.00 0.00 178.44 179.62 3m4a h ARG 227 N 1.04 0.64 -0.07 1.13 3.08 -0.97 0.22 114.38 119.45 3m4a h ARG 227 Ca 0.28 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3m4a h ARG 227 Cb -0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 3m4a h ARG 227 CO -0.06 0.43 0.04 1.49 -1.07 0.00 0.00 179.97 180.80 3m4a h GLU 228 N 0.66 0.10 0.00 0.04 4.81 -0.83 -1.53 114.58 117.84 3m4a h GLU 228 Ca 0.40 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3m4a h GLU 228 Cb 0.45 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3m4a h GLU 228 CO -0.29 0.17 -1.15 1.33 -0.73 0.00 0.00 179.01 178.34 3m4a n VAL 229 N -4.98 0.79 -0.22 0.32 0.24 -0.49 -4.52 118.33 109.46 3m4a n VAL 229 Ca -0.06 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3m4a n VAL 229 Cb 0.08 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 3m4a n VAL 229 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3m4a n ILE 230 N -2.74 0.00 -1.62 1.34 -5.35 0.71 -4.49 119.36 107.21 3m4a n ILE 230 Ca -0.03 -0.14 -0.44 0.00 -0.27 0.00 0.00 62.75 61.87 3m4a n ILE 230 Cb 0.64 1.22 -0.01 0.00 -1.74 0.00 0.00 39.64 39.75 3m4a n ILE 230 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m4a n GLY 231 N 0.20 -0.03 0.00 3.28 0.00 -0.57 -1.16 105.19 106.90 3m4a n GLY 231 Ca 0.00 0.31 0.16 0.00 0.00 0.00 0.00 46.02 46.49 3m4a n GLY 231 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m4a n PRO 232 N 0.64 0.89 -1.53 1.61 -0.04 -1.26 -4.80 135.00 130.51 3m4a n PRO 232 Ca 0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 3m4a n PRO 232 Cb 0.33 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.37 3m4a n PRO 232 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3m4a s PHE 233 N -2.11 2.47 0.38 0.54 0.08 -0.31 -4.94 117.98 114.10 3m4a s PHE 233 Ca 0.44 1.57 0.04 0.00 0.12 0.00 0.00 56.93 59.10 3m4a s PHE 233 Cb 0.22 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 3m4a s PHE 233 CO 0.39 -1.91 0.09 0.95 -0.10 0.00 0.00 175.22 174.63 3m4a s THR 234 N -2.43 0.91 0.46 0.64 -4.23 -1.26 -4.79 115.64 104.93 3m4a s THR 234 Ca 0.67 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.39 3m4a s THR 234 Cb -0.21 -2.52 0.40 0.00 1.34 0.00 0.00 72.50 71.51 3m4a s THR 234 CO 0.46 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.43 3m4a h ALA 235 N 1.88 2.36 -0.14 3.99 0.00 -1.96 -0.38 119.26 125.00 3m4a h ALA 235 Ca -0.38 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3m4a h ALA 235 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3m4a h ALA 235 CO 0.64 -0.61 -0.04 -0.22 0.00 0.00 0.00 179.25 179.03 3m4a h LYS 236 N 0.28 0.20 0.00 0.00 3.64 -1.96 -1.73 116.57 117.01 3m4a h LYS 236 Ca 0.42 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 3m4a h LYS 236 Cb 1.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3m4a h LYS 236 CO -0.11 0.25 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.84 3m4a h ASP 237 N 0.20 0.00 0.23 4.20 3.32 -1.46 -0.74 116.42 122.17 3m4a h ASP 237 Ca 0.05 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3m4a h ASP 237 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3m4a h ASP 237 CO 0.01 0.04 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.00 3m4a h PHE 238 N 0.00 0.13 0.19 4.55 0.04 -1.42 -0.61 116.94 119.82 3m4a h PHE 238 Ca -0.00 -0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.44 3m4a h PHE 238 Cb 0.09 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 38.22 3m4a h PHE 238 CO 0.00 0.42 -1.38 0.00 -0.60 0.00 0.00 178.31 176.74 3m4a h ARG 239 N 0.11 0.40 -0.12 1.51 3.08 -1.25 0.13 114.38 118.23 3m4a h ARG 239 Ca 0.01 -0.68 -0.07 0.00 0.07 0.00 0.00 59.98 59.32 3m4a h ARG 239 Cb 0.60 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3m4a h ARG 239 CO 0.04 1.32 -0.20 1.79 -1.07 0.00 0.00 179.97 181.85 3m4a h THR 240 N 0.11 1.38 0.20 2.04 1.35 -1.38 0.22 112.91 116.82 3m4a h THR 240 Ca -0.20 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.20 3m4a h THR 240 Cb 2.07 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 3m4a h THR 240 CO 0.23 0.42 -0.09 -0.25 -0.25 0.00 0.00 175.52 175.58 3m4a h TRP 241 N -0.08 -0.24 -0.72 4.73 2.91 -1.21 -2.02 115.95 119.32 3m4a h TRP 241 Ca 0.01 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 3m4a h TRP 241 Cb 0.77 0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.47 3m4a h TRP 241 CO 0.10 -0.14 0.21 0.78 -1.03 0.00 0.00 178.44 178.36 3m4a h GLY 242 N -0.27 1.21 0.95 2.65 0.00 -0.77 0.51 103.07 107.34 3m4a h GLY 242 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.59 3m4a h GLY 242 CO 0.04 0.68 0.42 -1.33 0.00 0.00 0.00 176.54 176.35 3m4a h GLY 243 N 1.10 0.93 0.97 4.60 0.00 -0.57 0.20 103.07 110.30 3m4a h GLY 243 Ca 0.23 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3m4a h GLY 243 CO -0.00 0.30 0.10 -0.84 0.00 0.00 0.00 176.54 176.09 3m4a h THR 244 N 0.84 1.24 -0.00 4.70 2.02 -1.05 -1.45 112.91 119.21 3m4a h THR 244 Ca 0.25 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3m4a h THR 244 Cb -0.05 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3m4a h THR 244 CO -0.08 0.31 0.00 0.25 0.37 0.00 0.00 175.52 176.37 3m4a h LEU 245 N 0.64 0.00 -0.65 2.58 5.85 -0.70 0.26 115.31 123.28 3m4a h LEU 245 Ca 0.15 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3m4a h LEU 245 Cb 0.35 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3m4a h LEU 245 CO 0.01 0.08 0.42 0.25 -0.34 0.00 0.00 178.44 178.85 3m4a h LEU 246 N -0.08 0.70 -0.39 2.25 5.85 -0.89 0.58 115.31 123.33 3m4a h LEU 246 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3m4a h LEU 246 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3m4a h LEU 246 CO -0.00 0.49 0.22 0.00 -0.34 0.00 0.00 178.44 178.81 3m4a h ALA 247 N 1.26 0.49 -0.64 1.25 0.00 -1.09 -0.32 119.26 120.20 3m4a h ALA 247 Ca 0.25 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3m4a h ALA 247 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m4a h ALA 247 CO -0.08 -0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.21 3m4a h ALA 248 N 1.18 0.84 -0.31 0.00 0.00 -0.24 -0.39 119.26 120.35 3m4a h ALA 248 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3m4a h ALA 248 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3m4a h ALA 248 CO -0.08 0.55 0.15 0.93 0.00 0.00 0.00 179.25 180.80 3m4a h GLU 249 N 0.94 0.44 -0.03 0.00 5.08 -0.75 -1.33 114.58 118.93 3m4a h GLU 249 Ca 0.20 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3m4a h GLU 249 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3m4a h GLU 249 CO 0.00 0.41 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.36 3m4a h TYR 250 N 0.36 -0.36 -0.82 4.33 3.20 -0.78 -0.70 116.97 122.20 3m4a h TYR 250 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3m4a h TYR 250 Cb 0.12 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3m4a h TYR 250 CO -0.02 -0.21 0.37 -0.07 -1.64 0.00 0.00 178.16 176.59 3m4a h LEU 251 N -0.22 1.09 -0.93 2.82 3.38 -0.95 0.57 115.31 121.07 3m4a h LEU 251 Ca 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3m4a h LEU 251 Cb 0.30 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3m4a h LEU 251 CO -0.16 0.93 0.37 0.00 0.09 0.00 0.00 178.44 179.68 3m4a h ALA 252 N 1.23 1.16 0.00 1.53 0.00 -0.95 0.06 119.26 122.29 3m4a h ALA 252 Ca 0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 3m4a h ALA 252 Cb 0.15 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.65 3m4a h ALA 252 CO -0.03 0.63 -0.93 1.96 0.00 0.00 0.00 179.25 180.88 3m4a h GLN 253 N 1.13 0.63 -0.32 0.00 4.20 -0.64 -3.22 115.11 116.89 3m4a h GLN 253 Ca 0.27 -0.67 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3m4a h GLN 253 Cb 0.13 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3m4a h GLN 253 CO -0.03 1.27 0.14 1.96 -0.67 0.00 0.00 178.83 181.50 3m4a h GLN 254 N 0.26 0.46 0.00 1.46 1.08 -0.81 -3.49 115.11 114.07 3m4a h GLN 254 Ca -0.12 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 3m4a h GLN 254 Cb 1.60 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 3m4a h GLN 254 CO 0.18 0.44 0.00 0.41 -0.95 0.00 0.00 178.83 178.92 3m4a n GLY 255 N -0.82 2.26 3.80 3.46 0.00 -0.00 -5.05 105.19 108.85 3m4a n GLY 255 Ca -0.02 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 3m4a n GLY 255 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m4a s THR 256 N -2.86 3.53 0.11 2.61 -4.23 -1.26 -4.95 115.64 108.59 3m4a s THR 256 Ca 0.00 0.50 0.10 0.00 -1.18 0.00 0.00 61.69 61.10 3m4a s THR 256 Cb 0.00 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 3m4a s THR 256 CO 0.00 -0.65 -0.22 -1.61 -0.54 0.00 0.00 174.62 171.60 3m4a s GLU 257 N -5.05 1.66 0.17 3.99 0.41 -1.26 -5.05 118.70 113.57 3m4a s GLU 257 Ca 0.60 -1.22 -0.01 0.00 -0.41 0.00 0.00 54.97 53.92 3m4a s GLU 257 Cb -0.15 -2.02 0.03 0.00 -1.78 0.00 0.00 34.13 30.20 3m4a s GLU 257 CO 0.55 0.48 1.41 0.66 -0.49 0.00 0.00 175.26 177.86 3m4a h SER 258 N 3.96 0.45 -3.19 -0.19 4.64 -1.97 -3.45 113.55 113.80 3m4a h SER 258 Ca -0.50 -0.31 -0.66 0.00 -0.47 0.00 0.00 61.79 59.85 3m4a h SER 258 Cb 1.17 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.01 3m4a h SER 258 CO 0.43 1.07 -0.60 -0.94 -0.87 0.00 0.00 176.83 175.92 3m4a s SER 259 N -6.98 5.48 0.37 4.97 1.04 -1.26 -5.01 113.70 112.30 3m4a s SER 259 Ca -0.05 0.11 0.12 0.00 0.48 0.00 0.00 55.95 56.60 3m4a s SER 259 Cb 0.10 -1.54 0.71 0.00 0.10 0.00 0.00 66.02 65.39 3m4a s SER 259 CO 0.84 0.29 1.83 -0.08 0.98 0.00 0.00 173.24 177.10 3m4a h GLU 260 N 4.31 0.05 -0.47 4.02 4.81 -1.93 -1.38 114.58 123.99 3m4a h GLU 260 Ca -0.49 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 3m4a h GLU 260 Cb 1.18 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3m4a h GLU 260 CO 0.60 0.39 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.08 3m4a h ARG 261 N 0.05 0.90 -0.26 1.92 2.43 -1.98 -1.30 114.38 116.14 3m4a h ARG 261 Ca 0.00 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 3m4a h ARG 261 Cb 0.63 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3m4a h ARG 261 CO 0.05 0.99 -0.37 1.96 -1.51 0.00 0.00 179.97 181.09 3m4a h GLN 262 N 0.75 0.58 -0.79 0.20 1.08 -1.89 -2.97 115.11 112.06 3m4a h GLN 262 Ca 0.12 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3m4a h GLN 262 Cb 0.65 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 3m4a h GLN 262 CO 0.04 0.86 0.49 0.00 -0.95 0.00 0.00 178.83 179.27 3m4a h ALA 263 N 1.11 1.01 -0.01 3.87 0.00 -1.06 -2.73 119.26 121.44 3m4a h ALA 263 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3m4a h ALA 263 Cb 0.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3m4a h ALA 263 CO 0.07 0.47 -0.30 0.87 0.00 0.00 0.00 179.25 180.36 3m4a h LYS 264 N 1.08 0.02 -0.76 0.00 1.57 -1.09 -1.75 116.57 115.65 3m4a h LYS 264 Ca 0.29 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3m4a h LYS 264 Cb -0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3m4a h LYS 264 CO -0.06 0.32 0.26 -0.22 -0.57 0.00 0.00 179.45 179.18 3m4a h LYS 265 N 0.02 1.16 -0.69 3.15 3.64 -1.35 -2.17 116.57 120.33 3m4a h LYS 265 Ca 0.00 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 3m4a h LYS 265 Cb 0.54 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3m4a h LYS 265 CO 0.04 0.97 0.13 0.28 -2.27 0.00 0.00 179.45 178.60 3m4a h VAL 266 N 1.12 1.26 -1.00 2.00 2.07 -1.13 -2.48 116.25 118.10 3m4a h VAL 266 Ca 0.25 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3m4a h VAL 266 Cb 0.28 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3m4a h VAL 266 CO -0.01 0.39 0.66 -0.07 0.02 0.00 0.00 177.57 178.56 3m4a h LEU 267 N 1.06 1.13 -0.18 2.57 3.38 -1.12 0.31 115.31 122.46 3m4a h LEU 267 Ca 0.21 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3m4a h LEU 267 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3m4a h LEU 267 CO 0.01 0.81 0.07 0.58 0.09 0.00 0.00 178.44 180.00 3m4a h VAL 268 N 1.33 0.97 -0.91 1.22 2.07 -1.06 -1.05 116.25 118.83 3m4a h VAL 268 Ca 0.37 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.85 3m4a h VAL 268 Cb -0.12 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3m4a h VAL 268 CO -0.09 0.03 0.59 0.44 0.02 0.00 0.00 177.57 178.56 3m4a h ASP 269 N 0.16 1.05 0.02 0.57 3.32 -0.99 -2.09 116.42 118.46 3m4a h ASP 269 Ca 0.08 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3m4a h ASP 269 Cb 0.04 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3m4a h ASP 269 CO -0.07 0.76 -0.01 0.00 -1.72 0.00 0.00 179.24 178.20 3m4a h VAL 271 N -0.04 1.12 -0.56 0.00 2.07 -0.96 -0.96 116.25 116.92 3m4a h VAL 271 Ca -0.00 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3m4a h VAL 271 Cb 0.04 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 3m4a h VAL 271 CO 0.01 0.19 0.05 0.11 0.02 0.00 0.00 177.57 177.95 3m4a h LYS 272 N 1.02 0.92 -0.06 1.57 6.56 -1.20 0.60 116.57 125.98 3m4a h LYS 272 Ca 0.34 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 3m4a h LYS 272 Cb 0.03 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.58 3m4a h LYS 272 CO -0.12 0.87 -0.02 0.35 -2.06 0.00 0.00 179.45 178.48 3m4a h PHE 273 N 0.86 0.13 -0.40 -1.35 3.57 -0.59 -1.85 116.94 117.30 3m4a h PHE 273 Ca 0.17 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3m4a h PHE 273 Cb 0.43 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3m4a h PHE 273 CO 0.03 0.46 -0.13 0.28 -2.23 0.00 0.00 178.31 176.72 3m4a h VAL 274 N -0.24 1.26 -0.76 1.41 2.07 -1.14 -2.11 116.25 116.74 3m4a h VAL 274 Ca 0.01 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3m4a h VAL 274 Cb 0.42 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3m4a h VAL 274 CO 0.01 0.39 0.49 0.00 0.02 0.00 0.00 177.57 178.48 3m4a h ALA 275 N 1.21 0.99 -0.43 1.67 0.00 -0.79 0.38 119.26 122.29 3m4a h ALA 275 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3m4a h ALA 275 Cb 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3m4a h ALA 275 CO 0.04 0.31 0.12 0.22 0.00 0.00 0.00 179.25 179.93 3m4a h ASP 276 N 0.96 0.64 -0.47 0.00 3.58 -1.07 0.37 116.42 120.44 3m4a h ASP 276 Ca 0.30 -0.22 0.05 0.00 0.42 0.00 0.00 57.03 57.58 3m4a h ASP 276 Cb -0.02 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 3m4a h ASP 276 CO -0.10 0.69 0.21 -0.78 -2.88 0.00 0.00 179.24 176.38 3m4a h ASP 277 N 0.56 0.27 1.41 2.28 3.58 -0.91 -3.03 116.42 120.58 3m4a h ASP 277 Ca 0.14 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3m4a h ASP 277 Cb 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3m4a h ASP 277 CO -0.00 0.19 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.38 3m4a h LEU 278 N 0.41 0.00 -0.80 2.28 3.38 -0.74 -3.47 115.31 116.37 3m4a h LEU 278 Ca 0.21 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 3m4a h LEU 278 Cb 0.16 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.97 3m4a h LEU 278 CO -0.18 0.02 -0.31 0.61 0.09 0.00 0.00 178.44 178.67 3m4a n GLY 279 N 1.30 0.24 3.37 0.83 0.00 0.04 -5.00 105.19 105.96 3m4a n GLY 279 Ca 0.05 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3m4a n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4a s ASN 280 N -3.12 1.73 0.55 1.61 2.20 -0.71 -4.91 114.94 112.30 3m4a s ASN 280 Ca 0.26 -1.53 -0.19 0.00 -0.94 0.00 0.00 52.86 50.46 3m4a s ASN 280 Cb -0.11 0.33 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 3m4a s ASN 280 CO 0.32 -0.85 1.09 0.42 -2.94 0.00 0.00 177.10 175.14 3m4a s THR 281 N -3.55 3.46 0.29 0.54 -4.23 -1.26 -4.46 115.64 106.43 3m4a s THR 281 Ca 0.34 0.84 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 3m4a s THR 281 Cb 0.05 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.85 3m4a s THR 281 CO 0.16 -0.26 1.79 -0.65 -0.54 0.00 0.00 174.62 175.13 3m4a h PRO 282 N 1.04 0.79 -0.62 3.99 0.11 -1.92 -1.20 132.00 134.20 3m4a h PRO 282 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3m4a h PRO 282 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3m4a h PRO 282 CO 0.57 0.52 0.40 0.00 -0.21 0.00 0.00 178.00 179.29 3m4a h ALA 283 N 1.59 0.78 -0.21 -0.75 0.00 -1.95 -0.34 119.26 118.37 3m4a h ALA 283 Ca 0.53 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.26 3m4a h ALA 283 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3m4a h ALA 283 CO -0.34 0.22 -0.44 0.28 0.00 0.00 0.00 179.25 178.97 3m4a h VAL 284 N 0.84 1.31 -0.08 0.00 2.07 -1.85 -0.92 116.25 117.62 3m4a h VAL 284 Ca 0.23 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3m4a h VAL 284 Cb -0.09 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3m4a h VAL 284 CO -0.05 0.51 0.00 0.74 0.02 0.00 0.00 177.57 178.79 3m4a h THR 285 N 0.43 1.24 -0.63 2.57 2.02 -0.87 -0.41 112.91 117.26 3m4a h THR 285 Ca 0.03 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 3m4a h THR 285 Cb 0.94 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3m4a h THR 285 CO 0.08 0.21 0.08 -0.09 0.37 0.00 0.00 175.52 176.17 3m4a h ARG 286 N -0.14 1.06 -0.08 6.66 2.43 -1.07 -1.47 114.38 121.78 3m4a h ARG 286 Ca 0.02 -0.30 -0.18 0.00 -0.81 0.00 0.00 59.98 58.71 3m4a h ARG 286 Cb 0.33 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3m4a h ARG 286 CO 0.00 0.99 -0.72 0.78 -1.51 0.00 0.00 179.97 179.52 3m4a h GLY 287 N 0.97 0.43 0.00 2.80 0.00 -1.07 -3.41 103.07 102.79 3m4a h GLY 287 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3m4a h GLY 287 CO 0.02 0.53 -0.54 1.44 0.00 0.00 0.00 176.54 177.99 3m4a n SER 288 N -3.84 2.68 -0.05 0.19 7.64 -0.17 -4.94 113.62 115.13 3m4a n SER 288 Ca -0.04 -0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.61 3m4a n SER 288 Cb 0.70 0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 64.63 3m4a n SER 288 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3m4a n TYR 289 N -1.03 0.00 -2.87 1.43 4.02 -0.63 -4.92 117.16 113.17 3m4a n TYR 289 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3m4a n TYR 289 Cb 0.00 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 38.89 3m4a n TYR 289 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3m4a s ILE 290 N -2.22 4.84 0.10 -0.72 1.01 -0.76 -4.25 121.20 119.20 3m4a s ILE 290 Ca -0.16 1.64 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 3m4a s ILE 290 Cb 0.06 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3m4a s ILE 290 CO 0.20 -0.03 1.62 0.00 0.00 0.00 0.00 174.94 176.72 3m4a h PRO 292 N 7.85 0.00 -0.96 0.00 0.13 -1.94 -2.53 132.00 134.55 3m4a h PRO 292 Ca -0.43 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.84 3m4a h PRO 292 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 3m4a h PRO 292 CO 0.92 0.00 0.61 0.28 -0.23 0.00 0.00 178.00 179.58 3m4a h VAL 293 N 0.00 0.86 -0.17 1.56 2.07 -1.99 -0.26 116.25 118.32 3m4a h VAL 293 Ca 0.00 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3m4a h VAL 293 Cb 0.24 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3m4a h VAL 293 CO 0.00 0.15 -0.29 0.16 0.02 0.00 0.00 177.57 177.62 3m4a h ILE 294 N 0.85 1.26 -0.24 4.57 3.07 -1.85 -1.20 117.51 123.97 3m4a h ILE 294 Ca 0.49 -1.26 -0.13 0.00 1.55 0.00 0.00 64.86 65.51 3m4a h ILE 294 Cb 0.63 1.46 -0.00 0.00 -0.27 0.00 0.00 36.82 38.63 3m4a h ILE 294 CO -0.25 0.39 -0.34 -0.26 -1.05 0.00 0.00 178.15 176.63 3m4a h PHE 295 N 0.29 0.81 -0.35 0.16 -1.00 -1.45 -2.08 116.94 113.32 3m4a h PHE 295 Ca 0.04 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.62 3m4a h PHE 295 Cb 0.66 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.99 3m4a h PHE 295 CO 0.01 1.02 -0.13 -0.44 -1.61 0.00 0.00 178.31 177.17 3m4a h ASP 296 N 0.38 -0.45 -0.63 2.17 3.32 -0.76 -0.68 116.42 119.77 3m4a h ASP 296 Ca 0.03 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3m4a h ASP 296 Cb 0.93 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 3m4a h ASP 296 CO 0.08 -0.16 0.34 0.03 -1.72 0.00 0.00 179.24 177.81 3m4a h ARG 297 N -0.06 0.88 -0.67 3.56 2.47 -1.19 -2.24 114.38 117.13 3m4a h ARG 297 Ca 0.17 -0.11 0.05 0.00 -1.26 0.00 0.00 59.98 58.84 3m4a h ARG 297 Cb 0.32 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 3m4a h ARG 297 CO -0.39 0.67 0.39 -0.92 0.56 0.00 0.00 179.97 180.28 3m4a h TYR 298 N 0.86 0.72 0.00 3.04 3.20 -0.88 0.51 116.97 124.42 3m4a h TYR 298 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3m4a h TYR 298 Cb 0.05 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 3m4a h TYR 298 CO -0.01 0.37 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.73 3m4a h LEU 299 N 0.73 0.00 -2.05 2.82 3.38 -0.72 -0.47 115.31 119.00 3m4a h LEU 299 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3m4a h LEU 299 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3m4a h LEU 299 CO -0.15 0.08 0.00 0.47 0.09 0.00 0.00 178.44 178.93 3m4a n ASP 300 N -3.40 2.99 0.00 -0.43 8.00 -0.63 -4.95 116.55 118.12 3m4a n ASP 300 Ca -0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3m4a n ASP 300 Cb 0.24 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3m4a n ASP 300 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m4a n GLY 301 N 1.39 0.39 3.27 0.44 0.00 -0.18 -5.05 105.19 105.44 3m4a n GLY 301 Ca 0.19 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3m4a n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4a s LYS 302 N -2.87 2.25 0.39 1.61 1.02 0.07 -4.98 119.74 117.23 3m4a s LYS 302 Ca 0.00 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.18 3m4a s LYS 302 Cb 0.00 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3m4a s LYS 302 CO 0.00 0.43 0.21 1.33 -0.92 0.00 0.00 175.35 176.41 3m4a n VAL 303 N 2.76 0.00 -0.35 3.17 0.24 -1.26 -2.60 118.33 120.29 3m4a n VAL 303 Ca -0.17 -2.48 0.13 0.00 -2.04 0.00 0.00 64.34 59.78 3m4a n VAL 303 Cb 0.52 1.05 0.31 0.00 -1.47 0.00 0.00 33.84 34.25 3m4a n VAL 303 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3m4a h LEU 304 N 0.00 0.75 -1.59 1.34 3.38 -1.93 -0.45 115.31 116.80 3m4a h LEU 304 Ca -0.29 0.10 0.27 0.00 0.09 0.00 0.00 57.88 58.05 3m4a h LEU 304 Cb 1.25 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 3m4a h LEU 304 CO 0.45 0.26 0.69 0.44 0.09 0.00 0.00 178.44 180.36 3m4a h ASP 305 N 0.73 0.30 0.83 -0.43 3.32 -1.95 -0.06 116.42 119.17 3m4a h ASP 305 Ca 0.57 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.67 3m4a h ASP 305 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3m4a h ASP 305 CO -0.39 0.07 0.00 0.47 -1.72 0.00 0.00 179.24 177.67 3m4a n ASP 306 N -4.47 0.00 -0.66 6.45 8.00 -0.18 -3.53 116.55 122.16 3m4a n ASP 306 Ca 0.23 0.44 0.06 0.00 0.71 0.00 0.00 54.79 56.24 3m4a n ASP 306 Cb 0.93 -0.48 0.20 0.00 -0.02 0.00 0.00 41.12 41.75 3m4a n ASP 306 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3m4a n TYR 307 N -1.48 0.58 -2.15 1.24 4.01 -0.04 -5.03 117.16 114.30 3m4a n TYR 307 Ca 0.07 -1.12 -0.36 0.00 -0.16 0.00 0.00 57.90 56.33 3m4a n TYR 307 Cb 0.29 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 3m4a n TYR 307 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3m4a s GLU 308 N -2.97 3.21 0.60 -0.72 0.41 -1.23 -4.52 118.70 113.48 3m4a s GLU 308 Ca 0.39 1.72 -0.19 0.00 -0.41 0.00 0.00 54.97 56.48 3m4a s GLU 308 Cb 0.34 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.66 3m4a s GLU 308 CO 0.04 -0.99 1.28 -1.25 -0.49 0.00 0.00 175.26 173.85 3m4a s PRO 309 N -3.27 2.84 0.00 0.39 0.04 -1.26 -4.94 135.00 128.79 3m4a s PRO 309 Ca 0.74 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.87 3m4a s PRO 309 Cb -0.27 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3m4a s PRO 309 CO 0.30 -1.37 0.34 0.54 0.04 0.00 0.00 177.00 176.85 3m4a n ARG 310 N -1.58 4.02 -4.22 4.56 1.74 -1.26 -4.90 116.66 115.01 3m4a n ARG 310 Ca 0.14 -0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 3m4a n ARG 310 Cb 0.48 -0.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 3m4a n ARG 310 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3m4a s THR 311 N -1.32 0.40 0.16 0.55 -4.23 -1.26 -5.04 115.64 104.90 3m4a s THR 311 Ca 0.03 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 3m4a s THR 311 Cb 0.05 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.70 3m4a s THR 311 CO 0.20 -0.33 1.65 -0.33 -0.54 0.00 0.00 174.62 175.27 3m4a h GLU 312 N 2.68 0.93 -0.54 3.99 4.39 -2.00 -2.22 114.58 121.82 3m4a h GLU 312 Ca -0.36 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 58.98 3m4a h GLU 312 Cb 1.22 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 3m4a h GLU 312 CO 0.60 0.90 -0.07 -0.09 -1.16 0.00 0.00 179.01 179.19 3m4a h ARG 313 N 0.83 0.98 -0.68 2.33 2.43 -1.98 0.05 114.38 118.33 3m4a h ARG 313 Ca 0.17 -0.33 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3m4a h ARG 313 Cb 0.43 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 3m4a h ARG 313 CO 0.01 1.01 0.45 1.96 -1.51 0.00 0.00 179.97 181.89 3m4a h GLN 314 N 0.88 0.70 -0.08 0.20 4.20 -1.90 -0.02 115.11 119.08 3m4a h GLN 314 Ca 0.15 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 3m4a h GLN 314 Cb 0.62 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3m4a h GLN 314 CO 0.04 0.46 -0.33 1.49 -0.67 0.00 0.00 178.83 179.82 3m4a h GLU 315 N 0.72 0.37 -0.46 1.46 4.81 -1.09 -3.30 114.58 117.09 3m4a h GLU 315 Ca 0.29 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3m4a h GLU 315 Cb 0.23 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3m4a h GLU 315 CO -0.09 0.92 0.31 0.00 -0.73 0.00 0.00 179.01 179.42 3m4a h ALA 316 N 0.45 1.88 0.00 2.92 0.00 -0.27 -1.15 119.26 123.09 3m4a h ALA 316 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m4a h ALA 316 Cb 0.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3m4a h ALA 316 CO 0.07 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.52 3m4a n GLU 317 N -4.48 0.22 -0.32 0.00 0.28 -0.09 -2.25 120.64 114.00 3m4a n GLU 317 Ca 0.06 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 3m4a n GLU 317 Cb 0.20 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 31.87 3m4a n GLU 317 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3m4a n LEU 318 N -1.35 3.77 -4.75 -1.84 4.77 -0.43 -4.98 117.00 112.18 3m4a n LEU 318 Ca 0.09 -1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 53.83 3m4a n LEU 318 Cb 0.20 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3m4a n LEU 318 CO 0.18 0.91 1.19 1.21 -1.33 0.00 0.00 177.39 179.54 3m4a n GLU 319 N 1.59 2.65 -0.40 3.23 2.13 -0.95 -1.78 120.64 127.11 3m4a n GLU 319 Ca 0.23 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.99 3m4a n GLU 319 Cb 0.61 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.63 3m4a n GLU 319 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m4a n GLY 320 N 1.50 0.87 3.56 8.31 0.00 -1.26 -4.67 105.19 113.50 3m4a n GLY 320 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3m4a n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4a s LEU 321 N 0.00 3.00 0.95 0.99 1.43 -0.73 -4.22 118.68 120.10 3m4a s LEU 321 Ca 0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3m4a s LEU 321 Cb 0.00 -1.79 0.16 0.00 0.03 0.00 0.00 46.19 44.59 3m4a s LEU 321 CO 0.00 0.20 1.09 0.42 0.23 0.00 0.00 176.35 178.29 3m4a s THR 322 N -1.16 2.35 0.17 5.49 -4.23 -1.26 -4.75 115.64 112.24 3m4a s THR 322 Ca 0.20 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 3m4a s THR 322 Cb -0.11 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.19 3m4a s THR 322 CO 0.12 -0.15 1.71 -0.09 -0.54 0.00 0.00 174.62 175.67 3m4a h ARG 323 N -1.73 0.15 -0.48 3.99 2.43 -2.00 0.09 114.38 116.84 3m4a h ARG 323 Ca -0.52 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.55 3m4a h ARG 323 Cb 1.31 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3m4a h ARG 323 CO 0.56 0.10 -0.08 0.77 -1.51 0.00 0.00 179.97 179.81 3m4a h SER 324 N 0.15 0.83 -0.73 -3.80 0.02 -1.99 -2.07 113.55 105.96 3m4a h SER 324 Ca 0.20 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3m4a h SER 324 Cb 0.26 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3m4a h SER 324 CO -0.29 0.94 0.23 -0.33 -1.14 0.00 0.00 176.83 176.24 3m4a h GLU 325 N 0.77 1.13 -0.31 3.45 5.08 -1.73 -0.34 114.58 122.64 3m4a h GLU 325 Ca 0.13 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3m4a h GLU 325 Cb 0.57 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3m4a h GLU 325 CO 0.04 0.96 0.12 0.78 -1.00 0.00 0.00 179.01 179.91 3m4a h GLY 326 N 1.11 0.49 1.12 -3.84 0.00 -0.75 -0.26 103.07 100.94 3m4a h GLY 326 Ca 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3m4a h GLY 326 CO -0.01 0.25 0.23 0.00 0.00 0.00 0.00 176.54 177.02 3m4a h ALA 327 N 0.96 1.05 -0.48 3.60 0.00 -1.19 -2.09 119.26 121.12 3m4a h ALA 327 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3m4a h ALA 327 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3m4a h ALA 327 CO -0.01 0.64 0.28 1.25 0.00 0.00 0.00 179.25 181.42 3m4a h LEU 328 N 1.07 0.58 -0.44 0.00 5.85 -0.74 0.45 115.31 122.08 3m4a h LEU 328 Ca 0.23 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3m4a h LEU 328 Cb 0.28 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3m4a h LEU 328 CO -0.01 0.47 0.11 0.50 -0.34 0.00 0.00 178.44 179.18 3m4a h LYS 329 N 0.64 0.25 -0.53 1.25 3.64 -0.76 0.68 116.57 121.74 3m4a h LYS 329 Ca 0.17 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3m4a h LYS 329 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3m4a h LYS 329 CO -0.03 0.17 -0.03 0.00 -2.27 0.00 0.00 179.45 177.29 3m4a h ARG 330 N 0.26 0.92 -0.34 1.90 3.08 -1.10 -0.54 114.38 118.55 3m4a h ARG 330 Ca 0.21 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3m4a h ARG 330 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3m4a h ARG 330 CO -0.25 0.93 0.21 1.98 -1.07 0.00 0.00 179.97 181.76 3m4a h MET 331 N 0.84 0.47 -0.72 0.04 4.05 -0.25 -2.28 114.93 117.07 3m4a h MET 331 Ca 0.15 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 3m4a h MET 331 Cb 0.54 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3m4a h MET 331 CO 0.03 0.35 0.27 -0.07 0.23 0.00 0.00 176.91 177.72 3m4a h LEU 332 N 0.45 0.99 -2.32 3.39 3.38 -0.63 -2.17 115.31 118.39 3m4a h LEU 332 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3m4a h LEU 332 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3m4a h LEU 332 CO -0.02 0.89 -0.02 -0.33 0.09 0.00 0.00 178.44 179.04 3m4a h GLU 333 N 1.04 0.00 0.00 1.13 5.08 -0.80 -2.06 114.58 118.98 3m4a h GLU 333 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3m4a h GLU 333 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3m4a h GLU 333 CO -0.02 0.02 -0.05 0.66 -1.00 0.00 0.00 179.01 178.62 3m4a h SER 334 N 0.00 0.00 -0.13 1.42 4.64 -0.81 -2.36 113.55 116.30 3m4a h SER 334 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3m4a h SER 334 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3m4a h SER 334 CO 0.00 0.05 -0.39 -0.08 -0.87 0.00 0.00 176.83 175.55 3m4a h GLU 335 N 0.00 0.66 -0.37 4.77 4.57 -1.48 -0.85 114.58 121.88 3m4a h GLU 335 Ca -0.00 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3m4a h GLU 335 Cb 0.29 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3m4a h GLU 335 CO 0.01 0.94 0.18 -0.09 -1.18 0.00 0.00 179.01 178.87 3m4a h ARG 336 N 0.55 0.53 0.00 1.92 2.43 -1.57 -2.81 114.38 115.43 3m4a h ARG 336 Ca 0.05 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3m4a h ARG 336 Cb 0.91 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3m4a h ARG 336 CO 0.08 0.46 -0.19 1.15 -1.51 0.00 0.00 179.97 179.96 3m4a h THR 337 N 0.46 1.11 0.00 0.20 2.02 -1.29 -3.53 112.91 111.88 3m4a h THR 337 Ca 0.13 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3m4a h THR 337 Cb 0.11 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3m4a h THR 337 CO -0.02 0.19 0.00 -0.11 0.37 0.00 0.00 175.52 175.95