#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1m s THR 2 N 0.00 3.55 0.17 1.12 2.01 -1.26 -4.85 115.64 116.38 1s1m s THR 2 Ca 0.00 0.88 -0.31 0.00 0.31 0.00 0.00 61.69 62.58 1s1m s THR 2 Cb 0.00 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1s1m s THR 2 CO 0.00 -0.03 1.36 -0.89 -0.69 0.00 0.00 174.62 174.38 1s1m s THR 3 N 2.92 3.16 -0.06 -0.82 2.01 -1.26 -4.89 115.64 116.70 1s1m s THR 3 Ca 0.68 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.59 1s1m s THR 3 Cb -0.33 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1s1m s THR 3 CO 0.28 0.11 -0.04 0.20 -0.69 0.00 0.00 174.62 174.47 1s1m s ASN 4 N 0.65 4.84 -0.05 3.53 0.01 -0.31 -4.95 114.94 118.66 1s1m s ASN 4 Ca 0.60 0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.80 1s1m s ASN 4 Cb -0.37 -1.25 -0.02 0.00 0.41 0.00 0.00 41.25 40.01 1s1m s ASN 4 CO 0.36 0.35 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.82 1s1m s TYR 5 N -0.88 2.64 -0.25 2.20 1.51 -0.34 0.10 117.35 122.33 1s1m s TYR 5 Ca 0.14 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1s1m s TYR 5 Cb -0.11 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.19 1s1m s TYR 5 CO 0.03 0.13 -0.05 0.42 -1.11 0.00 0.00 175.55 174.98 1s1m s ILE 6 N -0.68 1.66 -0.19 2.71 1.01 0.16 -1.16 121.20 124.71 1s1m s ILE 6 Ca 0.10 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 1s1m s ILE 6 Cb -0.11 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1s1m s ILE 6 CO 0.00 -0.15 0.55 -0.36 0.00 0.00 0.00 174.94 174.99 1s1m s PHE 7 N 1.32 3.39 -0.28 3.97 0.40 -0.36 0.74 117.98 127.15 1s1m s PHE 7 Ca -0.05 0.84 -0.06 0.00 -0.60 0.00 0.00 56.93 57.06 1s1m s PHE 7 Cb -0.19 -2.70 0.01 0.00 0.51 0.00 0.00 43.02 40.64 1s1m s PHE 7 CO -0.07 -0.10 0.06 0.08 0.70 0.00 0.00 175.22 175.90 1s1m s VAL 8 N 1.61 3.89 0.21 -0.44 1.01 0.40 -0.87 120.40 126.21 1s1m s VAL 8 Ca 0.26 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1s1m s VAL 8 Cb -0.16 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1s1m s VAL 8 CO 0.10 0.12 -0.16 0.42 0.00 0.00 0.00 175.10 175.58 1s1m s THR 9 N 1.50 1.88 0.06 3.92 -4.23 0.40 0.51 115.64 119.69 1s1m s THR 9 Ca 0.03 -2.16 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1s1m s THR 9 Cb -0.17 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 1s1m s THR 9 CO 0.02 -0.48 -0.22 -0.83 -0.54 0.00 0.00 174.62 172.57 1s1m s GLY 10 N -3.16 1.20 0.40 3.99 0.00 -1.26 0.99 107.32 109.48 1s1m s GLY 10 Ca 0.22 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1s1m s GLY 10 CO 0.08 -1.09 0.05 -0.32 0.00 0.00 0.00 173.10 171.82 1s1m s GLY 11 N -1.41 2.46 0.00 0.20 0.00 0.82 -1.10 107.32 108.29 1s1m s GLY 11 Ca 0.08 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1s1m s GLY 11 CO 0.03 -1.95 0.00 -0.62 0.00 0.00 0.00 173.10 170.56 1s1m n VAL 12 N -0.90 0.00 -4.29 1.40 0.31 -1.26 -3.97 118.33 109.61 1s1m n VAL 12 Ca -0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 1s1m n VAL 12 Cb 0.66 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.49 1s1m n VAL 12 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1s1m s VAL 13 N 0.00 1.25 0.36 2.52 -7.23 -1.26 -5.01 120.40 111.02 1s1m s VAL 13 Ca 0.00 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 1s1m s VAL 13 Cb 0.00 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.99 1s1m s VAL 13 CO 0.00 -0.60 0.49 -1.54 -0.31 0.00 0.00 175.10 173.15 1s1m n SER 14 N -0.30 0.19 -3.92 4.85 3.41 -1.26 -4.45 113.62 112.15 1s1m n SER 14 Ca -0.08 -1.27 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 1s1m n SER 14 Cb 0.62 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1s1m n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s1m n SER 15 N -3.23 -3.74 0.04 4.04 7.64 -1.26 -4.88 113.62 112.23 1s1m n SER 15 Ca 0.07 -0.83 0.12 0.00 1.01 0.00 0.00 58.87 59.24 1s1m n SER 15 Cb 0.23 -3.74 0.15 0.00 -1.01 0.00 0.00 64.21 59.85 1s1m n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s1m n LEU 16 N -4.57 0.65 0.00 -3.43 4.77 -1.26 -4.95 117.00 108.21 1s1m n LEU 16 Ca -0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1s1m n LEU 16 Cb 0.56 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1s1m n LEU 16 CO 0.76 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1s1m n GLY 17 N 1.37 1.03 0.19 -0.72 0.00 -1.26 -5.00 105.19 100.79 1s1m n GLY 17 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1s1m n GLY 17 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1m h LYS 18 N 0.00 0.54 -0.04 1.61 3.64 -1.97 0.58 116.57 120.93 1s1m h LYS 18 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1s1m h LYS 18 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1s1m h LYS 18 CO 0.00 0.35 -0.02 0.78 -2.27 0.00 0.00 179.45 178.29 1s1m h GLY 19 N 0.55 0.01 1.43 5.01 0.00 -1.97 0.96 103.07 109.06 1s1m h GLY 19 Ca 0.17 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1s1m h GLY 19 CO -0.06 -0.03 -0.13 -2.22 0.00 0.00 0.00 176.54 174.09 1s1m h ILE 20 N -0.03 1.25 -0.23 2.60 2.04 -1.90 -0.15 117.51 121.10 1s1m h ILE 20 Ca 0.02 -1.15 -0.15 0.00 1.00 0.00 0.00 64.86 64.58 1s1m h ILE 20 Cb 0.06 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1s1m h ILE 20 CO -0.05 0.39 -0.48 0.00 0.00 0.00 0.00 178.15 178.00 1s1m h ALA 21 N 1.24 0.72 -0.07 1.87 0.00 0.42 0.11 119.26 123.55 1s1m h ALA 21 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1s1m h ALA 21 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1s1m h ALA 21 CO 0.04 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 1s1m h ALA 22 N 0.97 0.10 -0.40 0.00 0.00 -0.54 -1.89 119.26 117.51 1s1m h ALA 22 Ca 0.03 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1s1m h ALA 22 Cb 1.02 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1s1m h ALA 22 CO 0.10 -0.15 -0.30 0.00 0.00 0.00 0.00 179.25 178.90 1s1m h ALA 23 N 0.64 -0.12 -0.73 0.00 0.00 -0.86 0.30 119.26 118.48 1s1m h ALA 23 Ca 0.02 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1s1m h ALA 23 Cb 0.46 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1s1m h ALA 23 CO 0.01 -0.69 0.42 0.77 0.00 0.00 0.00 179.25 179.76 1s1m h SER 24 N -0.23 0.63 -0.47 0.00 0.02 -0.73 0.31 113.55 113.08 1s1m h SER 24 Ca 0.18 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1s1m h SER 24 Cb 0.52 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1s1m h SER 24 CO -0.53 0.40 0.06 0.25 -1.14 0.00 0.00 176.83 175.87 1s1m h LEU 25 N 0.76 0.76 -0.73 5.07 5.85 -0.62 -1.97 115.31 124.43 1s1m h LEU 25 Ca 0.33 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1s1m h LEU 25 Cb 0.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1s1m h LEU 25 CO -0.19 0.84 0.47 0.00 -0.34 0.00 0.00 178.44 179.21 1s1m h ALA 26 N 0.95 0.95 -0.61 1.25 0.00 0.71 -2.38 119.26 120.13 1s1m h ALA 26 Ca 0.14 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1s1m h ALA 26 Cb 0.41 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1s1m h ALA 26 CO 0.01 0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.77 1s1m h ALA 27 N 1.30 0.78 -0.32 0.00 0.00 0.21 -1.13 119.26 120.10 1s1m h ALA 27 Ca 0.29 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1s1m h ALA 27 Cb -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s1m h ALA 27 CO -0.10 -0.19 0.21 0.82 0.00 0.00 0.00 179.25 180.00 1s1m h ILE 28 N 0.41 1.09 -0.76 0.00 2.04 -0.90 -1.29 117.51 118.10 1s1m h ILE 28 Ca 0.31 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1s1m h ILE 28 Cb 0.37 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1s1m h ILE 28 CO -0.30 0.08 0.35 -0.07 0.00 0.00 0.00 178.15 178.21 1s1m h LEU 29 N 0.43 0.99 -0.66 1.44 3.38 -0.95 -1.14 115.31 118.81 1s1m h LEU 29 Ca 0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1s1m h LEU 29 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1s1m h LEU 29 CO -0.03 0.85 0.08 -0.08 0.09 0.00 0.00 178.44 179.36 1s1m h GLU 30 N 1.08 1.11 0.00 1.13 4.81 -1.03 -1.74 114.58 119.94 1s1m h GLU 30 Ca 0.26 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1s1m h GLU 30 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1s1m h GLU 30 CO -0.03 1.03 0.00 0.00 -0.73 0.00 0.00 179.01 179.28 1s1m n ALA 31 N -2.47 1.64 -0.12 2.92 0.00 -0.46 -0.04 120.51 121.98 1s1m n ALA 31 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1s1m n ALA 31 Cb 0.31 -1.11 0.11 0.00 0.00 0.00 0.00 19.45 18.76 1s1m n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s1m n ARG 32 N -1.12 2.86 -1.04 0.00 1.74 -0.75 -3.00 116.66 115.35 1s1m n ARG 32 Ca 0.04 -1.89 -0.01 0.00 -0.77 0.00 0.00 57.85 55.21 1s1m n ARG 32 Cb 0.04 -1.20 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1s1m n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1m n GLY 33 N 0.26 0.50 3.88 -0.13 0.00 0.95 -4.39 105.19 106.25 1s1m n GLY 33 Ca 0.09 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1s1m n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1m s LEU 34 N -0.30 4.08 -0.55 0.99 1.43 -0.73 -5.01 118.68 118.59 1s1m s LEU 34 Ca 0.00 0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 53.80 1s1m s LEU 34 Cb 0.00 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.57 1s1m s LEU 34 CO 0.00 -0.16 0.78 0.21 0.23 0.00 0.00 176.35 177.41 1s1m s ASN 35 N -2.70 6.24 0.16 2.29 2.47 -1.26 -4.40 114.94 117.75 1s1m s ASN 35 Ca 0.47 -0.82 0.10 0.00 0.42 0.00 0.00 52.86 53.04 1s1m s ASN 35 Cb -0.11 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 1s1m s ASN 35 CO 0.25 -1.10 -0.21 -0.69 -3.72 0.00 0.00 177.10 171.62 1s1m s VAL 36 N 3.25 2.58 0.18 -5.21 1.01 -1.26 0.14 120.40 121.08 1s1m s VAL 36 Ca 0.20 -1.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.35 1s1m s VAL 36 Cb -0.17 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1s1m s VAL 36 CO 0.13 -0.02 0.19 0.28 0.00 0.00 0.00 175.10 175.68 1s1m s THR 37 N -1.41 0.05 0.01 3.92 -1.32 -0.77 -4.73 115.64 111.38 1s1m s THR 37 Ca 0.19 -1.76 -0.01 0.00 -1.21 0.00 0.00 61.69 58.90 1s1m s THR 37 Cb -0.09 -2.18 -0.01 0.00 -1.51 0.00 0.00 72.50 68.71 1s1m s THR 37 CO 0.10 -0.21 0.01 -0.63 -2.21 0.00 0.00 174.62 171.68 1s1m s ILE 38 N -4.07 0.07 0.03 5.08 1.01 -1.26 -0.78 121.20 121.28 1s1m s ILE 38 Ca 0.27 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1s1m s ILE 38 Cb 0.05 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 1s1m s ILE 38 CO 0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 174.94 174.63 1s1m s MET 39 N -0.94 0.44 -0.23 2.79 0.23 0.44 -4.84 119.30 117.18 1s1m s MET 39 Ca -0.10 -0.67 -0.01 0.00 -1.03 0.00 0.00 55.69 53.88 1s1m s MET 39 Cb -0.06 -0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.11 1s1m s MET 39 CO -0.00 0.02 -0.10 0.21 -2.03 0.00 0.00 175.02 173.12 1s1m s LYS 40 N -1.46 2.90 -0.43 3.16 2.47 0.40 -0.77 119.74 126.02 1s1m s LYS 40 Ca -0.12 -0.92 -0.13 0.00 -1.56 0.00 0.00 55.97 53.24 1s1m s LYS 40 Cb -0.10 -2.88 0.06 0.00 -1.46 0.00 0.00 37.83 33.45 1s1m s LYS 40 CO -0.00 -0.34 0.32 -0.51 0.16 0.00 0.00 175.35 174.98 1s1m s LEU 41 N 1.32 5.28 -0.36 5.43 1.02 -0.85 -2.07 118.68 128.46 1s1m s LEU 41 Ca 0.01 -1.21 -0.17 0.00 0.02 0.00 0.00 54.13 52.78 1s1m s LEU 41 Cb -0.16 -2.12 -0.00 0.00 0.02 0.00 0.00 46.19 43.93 1s1m s LEU 41 CO -0.06 -0.54 0.45 -1.81 0.02 0.00 0.00 176.35 174.41 1s1m s ASP 42 N 2.14 6.25 -1.29 2.29 1.01 0.59 -0.71 116.67 126.95 1s1m s ASP 42 Ca 0.04 -0.20 -0.11 0.00 0.71 0.00 0.00 52.55 52.99 1s1m s ASP 42 Cb -0.22 -2.24 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 1s1m s ASP 42 CO 0.07 -0.45 2.45 -0.81 0.21 0.00 0.00 175.17 176.64 1s1m n PRO 43 N 5.61 2.81 -4.04 8.23 -0.04 -1.26 -1.31 135.00 144.99 1s1m n PRO 43 Ca -0.07 -2.02 -0.08 0.00 -0.04 0.00 0.00 63.50 61.30 1s1m n PRO 43 Cb 0.49 -2.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.04 1s1m n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1s1m s TYR 44 N 3.07 0.41 0.15 0.54 -0.85 -1.26 -4.86 117.35 114.55 1s1m s TYR 44 Ca 0.55 -0.85 0.14 0.00 -0.52 0.00 0.00 57.07 56.40 1s1m s TYR 44 Cb 0.15 -0.31 0.36 0.00 0.38 0.00 0.00 41.96 42.54 1s1m s TYR 44 CO -0.04 -0.30 1.59 0.82 -1.52 0.00 0.00 175.55 176.10 1s1m h ILE 45 N 3.77 1.17 -2.27 -3.49 5.03 -1.91 -1.47 117.51 118.35 1s1m h ILE 45 Ca -0.33 -2.08 -0.61 0.00 -0.12 0.00 0.00 64.86 61.71 1s1m h ILE 45 Cb 1.17 2.20 0.07 0.00 -3.03 0.00 0.00 36.82 37.23 1s1m h ILE 45 CO 0.56 0.55 0.52 0.59 -0.68 0.00 0.00 178.15 179.69 1s1m n ASN 46 N -3.54 2.26 0.16 1.72 5.03 -1.26 -3.78 115.26 115.85 1s1m n ASN 46 Ca -0.00 1.13 0.02 0.00 0.87 0.00 0.00 54.58 56.59 1s1m n ASN 46 Cb 0.64 -1.34 0.35 0.00 -1.02 0.00 0.00 39.78 38.40 1s1m n ASN 46 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1s1m h VAL 47 N 3.07 1.25 -2.67 2.41 2.07 -1.86 -3.39 116.25 117.13 1s1m h VAL 47 Ca -0.45 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.76 1s1m h VAL 47 Cb 1.30 1.59 -0.22 0.00 -1.52 0.00 0.00 31.29 32.44 1s1m h VAL 47 CO 0.76 0.35 -0.16 1.51 0.02 0.00 0.00 177.57 180.05 1s1m s ASP 48 N -6.92 -0.42 0.02 0.57 1.47 -1.26 -4.32 116.67 105.81 1s1m s ASP 48 Ca -0.04 0.65 0.09 0.00 1.18 0.00 0.00 52.55 54.44 1s1m s ASP 48 Cb 0.14 0.70 0.39 0.00 -0.34 0.00 0.00 42.92 43.82 1s1m s ASP 48 CO 0.73 -0.30 1.28 -0.81 0.68 0.00 0.00 175.17 176.76 1s1m n PRO 49 N 2.15 0.01 0.00 2.11 -0.05 -1.26 -3.05 135.00 134.91 1s1m n PRO 49 Ca -0.16 0.38 0.02 0.00 -0.05 0.00 0.00 63.50 63.68 1s1m n PRO 49 Cb 0.57 -1.53 0.11 0.00 -0.05 0.00 0.00 33.50 32.59 1s1m n PRO 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1s1m n GLY 50 N -0.69 -0.26 0.00 0.55 0.00 -1.26 -0.91 105.19 102.62 1s1m n GLY 50 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s1m n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s1m n THR 51 N -0.72 0.00 -2.20 2.61 -2.24 -1.17 -5.04 114.28 105.52 1s1m n THR 51 Ca 0.03 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1s1m n THR 51 Cb 0.01 0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1s1m n THR 51 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1s1m s MET 52 N -0.67 3.72 0.27 -0.78 -1.94 -0.08 -4.97 119.30 114.84 1s1m s MET 52 Ca 0.00 1.85 -0.29 0.00 -1.71 0.00 0.00 55.69 55.54 1s1m s MET 52 Cb 0.00 -2.42 -0.09 0.00 2.01 0.00 0.00 34.83 34.32 1s1m s MET 52 CO 0.00 -0.61 0.98 0.45 -0.01 0.00 0.00 175.02 175.84 1s1m s SER 53 N -1.27 7.47 0.23 3.03 0.15 -1.26 -4.94 113.70 117.12 1s1m s SER 53 Ca 0.64 2.02 -0.06 0.00 0.70 0.00 0.00 55.95 59.24 1s1m s SER 53 Cb -0.30 -2.61 0.32 0.00 -1.71 0.00 0.00 66.02 61.72 1s1m s SER 53 CO 0.37 0.03 1.84 -0.65 1.20 0.00 0.00 173.24 176.02 1s1m h PRO 54 N 3.86 0.86 -7.06 5.44 0.11 -1.94 -1.42 132.00 131.85 1s1m h PRO 54 Ca -0.46 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.09 1s1m h PRO 54 Cb 1.20 -0.19 0.07 0.00 0.11 0.00 0.00 31.00 32.19 1s1m h PRO 54 CO 0.67 0.57 0.45 0.42 -0.21 0.00 0.00 178.00 179.91 1s1m s ILE 55 N -6.07 3.09 0.00 4.15 -1.09 -1.26 0.79 121.20 120.82 1s1m s ILE 55 Ca -0.13 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1s1m s ILE 55 Cb 0.18 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1s1m s ILE 55 CO 0.78 -0.10 0.00 1.67 -1.23 0.00 0.00 174.94 176.06 1s1m n GLN 56 N -1.05 0.00 0.05 2.79 7.27 -1.26 -4.27 117.38 120.92 1s1m n GLN 56 Ca 0.10 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.95 1s1m n GLN 56 Cb 0.50 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.00 1s1m n GLN 56 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1s1m h HIS 57 N 0.00 0.61 0.00 3.69 2.76 -1.28 -3.51 115.15 117.42 1s1m h HIS 57 Ca 0.00 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1s1m h HIS 57 Cb 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1s1m h HIS 57 CO 0.00 1.54 0.00 0.41 -1.30 0.00 0.00 177.93 178.58 1s1m n GLY 58 N 1.75 -1.44 3.73 5.26 0.00 0.24 -4.88 105.19 109.86 1s1m n GLY 58 Ca -0.22 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 1s1m n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s1m s GLU 59 N 0.00 2.14 -0.46 1.61 -1.05 -0.08 -3.92 118.70 116.94 1s1m s GLU 59 Ca 0.00 1.54 -0.16 0.00 -0.15 0.00 0.00 54.97 56.20 1s1m s GLU 59 Cb 0.00 -1.86 0.05 0.00 -0.44 0.00 0.00 34.13 31.89 1s1m s GLU 59 CO 0.00 -1.78 0.42 0.08 0.95 0.00 0.00 175.26 174.92 1s1m s VAL 60 N -2.33 5.17 0.58 1.83 1.01 -1.26 -4.10 120.40 121.30 1s1m s VAL 60 Ca 0.69 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1s1m s VAL 60 Cb -0.24 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1s1m s VAL 60 CO 0.48 -0.54 1.06 0.12 0.00 0.00 0.00 175.10 176.22 1s1m s PHE 61 N 1.85 2.96 -0.11 5.22 5.36 -0.79 -4.79 117.98 127.69 1s1m s PHE 61 Ca 0.07 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 1s1m s PHE 61 Cb -0.22 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.45 1s1m s PHE 61 CO 0.09 -1.11 -0.15 0.08 -1.46 0.00 0.00 175.22 172.66 1s1m s VAL 62 N -2.36 1.51 0.73 3.12 1.01 -1.26 -1.08 120.40 122.08 1s1m s VAL 62 Ca 0.65 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1s1m s VAL 62 Cb -0.17 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1s1m s VAL 62 CO 0.34 0.44 1.06 0.42 0.00 0.00 0.00 175.10 177.37 1s1m s THR 63 N 1.02 2.20 0.18 3.92 -4.23 -0.89 -4.93 115.64 112.92 1s1m s THR 63 Ca -0.06 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.08 1s1m s THR 63 Cb -0.15 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 70.83 1s1m s THR 63 CO -0.02 0.00 1.64 -0.33 -0.54 0.00 0.00 174.62 175.37 1s1m h GLU 64 N -0.72 -0.05 0.00 3.99 5.08 -1.92 -0.20 114.58 120.75 1s1m h GLU 64 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1s1m h GLU 64 Cb 1.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1s1m h GLU 64 CO 0.61 -0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 1s1m n ASP 65 N -5.37 0.00 0.00 1.42 5.75 -1.26 0.14 116.55 117.22 1s1m n ASP 65 Ca 0.04 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1s1m n ASP 65 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1s1m n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s1m n GLY 66 N 0.27 0.75 3.77 6.12 0.00 -0.09 -4.85 105.19 111.15 1s1m n GLY 66 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1s1m n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m s ALA 67 N -2.71 3.25 -0.20 4.61 0.00 -1.26 -4.70 121.76 120.75 1s1m s ALA 67 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1s1m s ALA 67 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1s1m s ALA 67 CO 0.00 -0.50 0.28 -1.21 0.00 0.00 0.00 175.76 174.33 1s1m s GLU 68 N -2.09 4.18 0.27 0.00 2.02 -1.26 -2.09 118.70 119.73 1s1m s GLU 68 Ca 0.54 0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.57 1s1m s GLU 68 Cb -0.33 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 1s1m s GLU 68 CO 0.42 0.11 0.22 0.99 0.02 0.00 0.00 175.26 177.02 1s1m s THR 69 N 0.86 0.00 0.38 3.63 2.01 -0.24 -4.27 115.64 118.02 1s1m s THR 69 Ca 0.14 -1.96 -0.26 0.00 0.31 0.00 0.00 61.69 59.92 1s1m s THR 69 Cb -0.13 -2.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 1s1m s THR 69 CO 0.05 0.00 1.21 -0.62 -0.69 0.00 0.00 174.62 174.57 1s1m s ASP 70 N -3.25 6.58 0.48 3.53 2.15 -1.26 -1.88 116.67 123.01 1s1m s ASP 70 Ca 0.39 2.45 0.32 0.00 0.43 0.00 0.00 52.55 56.14 1s1m s ASP 70 Cb 0.04 -2.63 1.72 0.00 -0.30 0.00 0.00 42.92 41.76 1s1m s ASP 70 CO 0.19 -0.65 1.98 0.17 -0.17 0.00 0.00 175.17 176.70 1s1m h LEU 71 N 2.85 0.00 -2.13 -1.34 8.10 -1.90 -1.64 115.31 119.26 1s1m h LEU 71 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.51 1s1m h LEU 71 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.45 1s1m h LEU 71 CO 0.63 0.00 0.02 0.44 -4.11 0.00 0.00 178.44 175.43 1s1m h ASP 72 N 0.00 0.00 0.15 0.17 3.45 -1.94 0.34 116.42 118.58 1s1m h ASP 72 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1s1m h ASP 72 Cb 0.02 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1s1m h ASP 72 CO 0.00 0.00 -0.05 -0.07 -1.57 0.00 0.00 179.24 177.55 1s1m h LEU 73 N 0.00 0.00 -0.18 1.55 4.07 -1.68 0.12 115.31 119.20 1s1m h LEU 73 Ca 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1s1m h LEU 73 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1s1m h LEU 73 CO -0.00 0.05 -0.01 1.23 -1.08 0.00 0.00 178.44 178.63 1s1m h GLY 74 N 0.34 0.35 1.01 0.83 0.00 -0.51 -2.25 103.07 102.84 1s1m h GLY 74 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1s1m h GLY 74 CO 0.01 0.24 0.39 0.45 0.00 0.00 0.00 176.54 177.63 1s1m h HIS 75 N 0.06 0.75 -0.05 5.60 3.86 -0.95 -2.34 115.15 122.08 1s1m h HIS 75 Ca 0.05 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1s1m h HIS 75 Cb 0.41 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 1s1m h HIS 75 CO 0.04 0.47 -0.27 1.88 0.86 0.00 0.00 177.93 180.91 1s1m h TYR 76 N 0.80 -0.74 -0.18 2.45 0.99 -0.94 -2.46 116.97 116.89 1s1m h TYR 76 Ca 0.22 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1s1m h TYR 76 Cb -0.09 0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 1s1m h TYR 76 CO -0.03 -0.36 0.12 0.93 -0.00 0.00 0.00 178.16 178.82 1s1m h GLU 77 N -0.39 0.24 -0.00 4.88 5.08 -1.26 0.65 114.58 123.78 1s1m h GLU 77 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s1m h GLU 77 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1s1m h GLU 77 CO -0.27 0.16 -0.02 0.54 -1.00 0.00 0.00 179.01 178.42 1s1m n ARG 78 N -4.51 1.11 -0.00 2.33 1.74 -0.89 -3.87 116.66 112.56 1s1m n ARG 78 Ca -0.00 -0.31 -0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1s1m n ARG 78 Cb 0.08 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1s1m n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1s1m n PHE 79 N -0.67 0.00 -4.40 -1.55 3.01 -0.66 -4.54 117.46 108.65 1s1m n PHE 79 Ca 0.21 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.46 1s1m n PHE 79 Cb 0.21 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 1s1m n PHE 79 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1s1m s ILE 80 N -2.01 1.93 -0.57 4.37 -4.36 0.13 -4.41 121.20 116.30 1s1m s ILE 80 Ca -0.00 -2.25 0.24 0.00 -0.26 0.00 0.00 60.65 58.39 1s1m s ILE 80 Cb 0.00 -2.22 0.18 0.00 1.25 0.00 0.00 42.46 41.68 1s1m s ILE 80 CO 0.01 -0.47 1.49 0.03 0.24 0.00 0.00 174.94 176.24 1s1m h ARG 81 N 2.41 0.00 -6.79 0.37 2.47 -1.86 -3.40 114.38 107.58 1s1m h ARG 81 Ca -0.39 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.80 1s1m h ARG 81 Cb 1.23 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.62 1s1m h ARG 81 CO 0.63 0.00 0.79 0.99 0.56 0.00 0.00 179.97 182.94 1s1m s THR 82 N -3.18 2.45 0.18 2.04 2.01 -1.26 -4.97 115.64 112.91 1s1m s THR 82 Ca 0.07 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.23 1s1m s THR 82 Cb 0.11 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1s1m s THR 82 CO 0.68 0.07 0.75 -0.54 -0.69 0.00 0.00 174.62 174.89 1s1m s LYS 83 N -0.66 4.44 0.28 4.92 -0.14 -1.26 -4.74 119.74 122.59 1s1m s LYS 83 Ca 0.59 1.05 -0.11 0.00 -1.36 0.00 0.00 55.97 56.13 1s1m s LYS 83 Cb -0.44 -3.12 -0.08 0.00 -1.68 0.00 0.00 37.83 32.52 1s1m s LYS 83 CO 0.47 0.51 0.64 -1.64 -0.76 0.00 0.00 175.35 174.56 1s1m s MET 84 N -1.44 3.86 0.29 1.68 -1.94 -1.26 -5.07 119.30 115.42 1s1m s MET 84 Ca 0.38 0.42 0.03 0.00 -1.71 0.00 0.00 55.69 54.81 1s1m s MET 84 Cb -0.21 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 1s1m s MET 84 CO 0.24 0.22 0.12 -1.13 -0.01 0.00 0.00 175.02 174.46 1s1m n SER 85 N -0.37 0.95 -0.01 3.03 3.41 -1.26 -4.02 113.62 115.34 1s1m n SER 85 Ca 0.02 -2.59 0.11 0.00 -0.26 0.00 0.00 58.87 56.14 1s1m n SER 85 Cb 0.53 0.81 0.52 0.00 -0.26 0.00 0.00 64.21 65.82 1s1m n SER 85 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1s1m h ARG 86 N 0.00 0.33 0.00 4.33 1.12 -1.93 0.11 114.38 118.34 1s1m h ARG 86 Ca -0.23 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 1s1m h ARG 86 Cb 0.89 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.78 1s1m h ARG 86 CO 0.35 0.22 0.15 0.00 -3.11 0.00 0.00 179.97 177.58 1s1m h ARG 87 N 0.34 0.00 -0.27 0.20 3.08 -1.97 -2.62 114.38 113.14 1s1m h ARG 87 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1s1m h ARG 87 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1s1m h ARG 87 CO -0.05 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.94 1s1m n ASN 88 N -2.67 1.91 -3.64 7.04 4.13 0.02 -4.63 115.26 117.41 1s1m n ASN 88 Ca -0.02 -1.84 -0.07 0.00 1.68 0.00 0.00 54.58 54.32 1s1m n ASN 88 Cb 0.20 -0.18 -0.07 0.00 -1.54 0.00 0.00 39.78 38.19 1s1m n ASN 88 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1s1m s ASN 89 N -1.32 -0.92 0.05 6.41 3.04 -0.99 -0.45 114.94 120.75 1s1m s ASN 89 Ca 0.30 1.48 -0.13 0.00 0.04 0.00 0.00 52.86 54.54 1s1m s ASN 89 Cb 0.16 1.37 0.02 0.00 -1.54 0.00 0.00 41.25 41.25 1s1m s ASN 89 CO 0.23 -0.24 0.29 0.72 -3.04 0.00 0.00 177.10 175.06 1s1m s PHE 90 N 1.65 -0.08 0.33 0.43 -0.12 -0.88 -4.96 117.98 114.35 1s1m s PHE 90 Ca -0.10 -0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.79 1s1m s PHE 90 Cb -0.05 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1s1m s PHE 90 CO -0.19 -0.51 0.01 0.95 -0.05 0.00 0.00 175.22 175.43 1s1m s THR 91 N -2.65 2.75 0.43 -4.49 -4.23 -1.26 -0.30 115.64 105.90 1s1m s THR 91 Ca -0.04 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1s1m s THR 91 Cb -0.01 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.38 1s1m s THR 91 CO -0.04 -0.23 1.96 0.74 -0.54 0.00 0.00 174.62 176.51 1s1m h THR 92 N 1.81 0.86 -0.08 3.99 2.02 -0.73 -2.20 112.91 118.58 1s1m h THR 92 Ca -0.43 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.44 1s1m h THR 92 Cb 1.25 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1s1m h THR 92 CO 0.65 0.08 -0.65 1.23 0.37 0.00 0.00 175.52 177.20 1s1m h GLY 93 N 0.42 0.36 1.54 2.16 0.00 -1.37 -2.33 103.07 103.85 1s1m h GLY 93 Ca 0.31 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 1s1m h GLY 93 CO -0.09 0.42 -0.44 -0.09 0.00 0.00 0.00 176.54 176.34 1s1m h ARG 94 N 0.24 0.50 0.66 4.80 9.65 -1.60 0.66 114.38 129.29 1s1m h ARG 94 Ca -0.01 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 1s1m h ARG 94 Cb 1.19 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1s1m h ARG 94 CO 0.11 0.85 -0.38 0.82 2.80 0.00 0.00 179.97 184.16 1s1m h ILE 95 N 0.41 0.00 -0.77 1.20 1.08 -1.34 0.64 117.51 118.72 1s1m h ILE 95 Ca 0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.67 1s1m h ILE 95 Cb 0.93 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.57 1s1m h ILE 95 CO 0.08 0.00 0.23 1.88 -0.69 0.00 0.00 178.15 179.66 1s1m h TYR 96 N -0.97 0.38 -0.70 1.37 -1.99 -1.39 1.16 116.97 114.83 1s1m h TYR 96 Ca -0.09 0.04 0.12 0.00 2.00 0.00 0.00 58.73 60.80 1s1m h TYR 96 Cb 0.77 -0.05 -0.08 0.00 2.00 0.00 0.00 36.73 39.37 1s1m h TYR 96 CO -0.03 -0.06 0.29 1.03 -0.00 0.00 0.00 178.16 179.39 1s1m h SER 97 N 0.32 0.30 0.65 3.88 0.87 1.00 0.37 113.55 120.94 1s1m h SER 97 Ca 0.44 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 1s1m h SER 97 Cb 0.76 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1s1m h SER 97 CO -0.50 0.15 -0.31 0.44 -0.53 0.00 0.00 176.83 176.08 1s1m h ASP 98 N 0.47 -0.74 -0.75 6.23 3.32 0.71 -2.97 116.42 122.68 1s1m h ASP 98 Ca 0.36 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.56 1s1m h ASP 98 Cb 0.49 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 1s1m h ASP 98 CO -0.34 -0.39 0.51 0.58 -1.72 0.00 0.00 179.24 177.87 1s1m h VAL 99 N -1.10 0.77 0.00 -1.35 2.07 0.02 -0.32 116.25 116.34 1s1m h VAL 99 Ca -0.09 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1s1m h VAL 99 Cb 0.71 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1s1m h VAL 99 CO 0.15 0.07 -0.19 -0.07 0.02 0.00 0.00 177.57 177.54 1s1m h LEU 100 N 0.38 0.00 0.00 2.57 3.38 -0.20 -1.92 115.31 119.52 1s1m h LEU 100 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1s1m h LEU 100 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1s1m h LEU 100 CO -0.11 0.19 -0.02 0.03 0.09 0.00 0.00 178.44 178.62 1s1m h ARG 101 N 0.00 0.00 -0.93 1.13 -0.00 -0.91 -2.51 114.38 111.16 1s1m h ARG 101 Ca -0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.65 1s1m h ARG 101 Cb 0.68 0.00 -0.17 0.00 0.00 0.00 0.00 29.97 30.48 1s1m h ARG 101 CO 0.03 0.00 -0.27 1.63 0.00 0.00 0.00 179.97 181.36 1s1m n LYS 102 N -4.62 -0.12 0.00 0.04 5.02 -0.97 -1.88 118.16 115.63 1s1m n LYS 102 Ca -0.00 1.44 0.00 0.00 -2.02 0.00 0.00 58.31 57.73 1s1m n LYS 102 Cb 0.01 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 1s1m n LYS 102 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1s1m n GLU 103 N -5.48 0.00 -1.41 1.97 2.13 -0.72 -2.57 120.64 114.57 1s1m n GLU 103 Ca 0.13 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.90 1s1m n GLU 103 Cb 0.44 -0.84 -0.12 0.00 0.27 0.00 0.00 31.44 31.19 1s1m n GLU 103 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s1m n ARG 104 N -0.47 0.08 0.00 5.31 5.12 -0.79 0.12 116.66 126.02 1s1m n ARG 104 Ca 0.00 -1.59 0.00 0.00 -1.93 0.00 0.00 57.85 54.33 1s1m n ARG 104 Cb 0.00 -3.72 0.00 0.00 -1.16 0.00 0.00 32.46 27.58 1s1m n ARG 104 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1s1m n ARG 105 N 8.12 0.00 0.00 5.56 1.85 -1.17 -4.71 116.66 126.31 1s1m n ARG 105 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.27 1s1m n ARG 105 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 1s1m n ARG 105 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s1m n GLY 106 N 0.00 2.23 0.00 2.89 0.00 0.32 -4.91 105.19 105.72 1s1m n GLY 106 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1s1m n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1m n ASP 107 N 3.24 0.00 0.18 1.61 10.43 -1.16 0.34 116.55 131.19 1s1m n ASP 107 Ca 0.00 0.00 0.13 0.00 2.57 0.00 0.00 54.79 57.49 1s1m n ASP 107 Cb 0.00 0.00 0.33 0.00 1.84 0.00 0.00 41.12 43.29 1s1m n ASP 107 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 1s1m h TYR 108 N 0.00 0.00 -4.85 1.24 -1.99 -1.83 -3.48 116.97 106.06 1s1m h TYR 108 Ca 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.53 1s1m h TYR 108 Cb 0.00 0.00 0.15 0.00 2.00 0.00 0.00 36.73 38.88 1s1m h TYR 108 CO 0.00 0.00 -0.64 1.28 -0.00 0.00 0.00 178.16 178.80 1s1m n LEU 109 N -2.72 -4.60 -0.59 3.88 4.77 1.05 -2.71 117.00 116.07 1s1m n LEU 109 Ca 0.04 -0.53 -0.05 0.00 -0.03 0.00 0.00 56.01 55.44 1s1m n LEU 109 Cb 0.45 -2.56 -0.02 0.00 -2.33 0.00 0.00 43.42 38.96 1s1m n LEU 109 CO 0.31 0.11 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1s1m n GLY 110 N -1.27 0.45 3.85 -0.72 0.00 -1.26 -4.90 105.19 101.36 1s1m n GLY 110 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1s1m n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m s ALA 111 N -1.13 3.01 -0.29 4.61 0.00 -1.10 -4.98 121.76 121.89 1s1m s ALA 111 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1s1m s ALA 111 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1s1m s ALA 111 CO 0.00 -0.69 0.96 0.99 0.00 0.00 0.00 175.76 177.01 1s1m s THR 112 N -3.02 4.66 -0.15 0.00 2.01 -1.26 -4.97 115.64 112.91 1s1m s THR 112 Ca 0.57 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.88 1s1m s THR 112 Cb -0.11 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1s1m s THR 112 CO 0.49 -0.31 1.15 -0.69 -0.69 0.00 0.00 174.62 174.57 1s1m s VAL 113 N 3.27 4.46 0.43 3.82 1.01 -1.26 -5.00 120.40 127.13 1s1m s VAL 113 Ca 0.40 1.77 0.03 0.00 0.00 0.00 0.00 61.98 64.18 1s1m s VAL 113 Cb -0.14 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1s1m s VAL 113 CO 0.12 -0.10 0.07 -1.10 0.00 0.00 0.00 175.10 174.09 1s1m s GLN 114 N 2.92 1.97 0.09 2.72 -0.21 -1.26 -5.03 119.66 120.86 1s1m s GLN 114 Ca 0.51 -2.20 -0.26 0.00 0.02 0.00 0.00 55.36 53.43 1s1m s GLN 114 Cb -0.20 -1.03 -0.14 0.00 1.00 0.00 0.00 33.01 32.64 1s1m s GLN 114 CO 0.14 -0.36 1.69 0.28 -2.12 0.00 0.00 175.29 174.93 1s1m h VAL 115 N 1.71 0.71 -3.61 1.09 2.07 -1.95 -2.85 116.25 113.41 1s1m h VAL 115 Ca -0.40 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.49 1s1m h VAL 115 Cb 1.28 0.71 -0.19 0.00 -1.52 0.00 0.00 31.29 31.57 1s1m h VAL 115 CO 0.66 0.00 -0.58 -0.63 0.02 0.00 0.00 177.57 177.05 1s1m s ILE 116 N -6.13 4.73 -0.72 4.57 1.01 -1.26 0.97 121.20 124.37 1s1m s ILE 116 Ca -0.15 -0.04 0.15 0.00 0.00 0.00 0.00 60.65 60.62 1s1m s ILE 116 Cb 0.06 -3.20 -0.16 0.00 0.01 0.00 0.00 42.46 39.17 1s1m s ILE 116 CO 0.65 0.35 0.64 -0.81 0.00 0.00 0.00 174.94 175.77 1s1m n PRO 117 N 4.54 2.06 -0.24 2.79 -0.04 -1.26 -4.90 135.00 137.96 1s1m n PRO 117 Ca -0.16 -0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1s1m n PRO 117 Cb 0.52 -1.21 0.16 0.00 -0.04 0.00 0.00 33.50 32.93 1s1m n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1s1m h HIS 118 N 0.04 0.17 0.01 0.54 3.86 -1.51 0.52 115.15 118.77 1s1m h HIS 118 Ca 0.00 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1s1m h HIS 118 Cb 0.36 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1s1m h HIS 118 CO 0.00 -0.12 -0.00 0.82 0.86 0.00 0.00 177.93 179.49 1s1m h ILE 119 N 0.21 1.54 -0.80 2.45 1.08 0.83 -2.72 117.51 120.11 1s1m h ILE 119 Ca 0.39 -1.66 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 1s1m h ILE 119 Cb 0.66 2.67 -0.05 0.00 -3.07 0.00 0.00 36.82 37.03 1s1m h ILE 119 CO -0.53 0.43 0.52 0.71 -0.69 0.00 0.00 178.15 178.60 1s1m h THR 120 N -0.72 1.10 -0.18 -0.27 1.35 -1.02 -1.35 112.91 111.82 1s1m h THR 120 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1s1m h THR 120 Cb 0.71 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1s1m h THR 120 CO 0.00 0.17 0.12 0.78 -0.25 0.00 0.00 175.52 176.34 1s1m h ASN 121 N 0.94 0.20 -0.28 5.36 2.35 0.01 -1.43 115.58 122.73 1s1m h ASN 121 Ca 0.33 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1s1m h ASN 121 Cb 0.11 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1s1m h ASN 121 CO -0.10 0.14 0.19 0.00 -1.65 0.00 0.00 177.43 176.01 1s1m h ALA 122 N 1.07 2.05 -0.10 -0.83 0.00 -0.94 -1.88 119.26 118.63 1s1m h ALA 122 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1s1m h ALA 122 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s1m h ALA 122 CO -0.02 -0.11 -0.22 0.82 0.00 0.00 0.00 179.25 179.72 1s1m h ILE 123 N 0.17 1.40 -0.34 0.00 2.04 -0.43 -3.09 117.51 117.25 1s1m h ILE 123 Ca 0.12 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.47 1s1m h ILE 123 Cb 0.28 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1s1m h ILE 123 CO -0.02 0.44 0.19 0.11 0.00 0.00 0.00 178.15 178.87 1s1m h LYS 124 N -0.14 0.37 -0.47 2.37 1.57 -0.75 -0.75 116.57 118.78 1s1m h LYS 124 Ca -0.00 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1s1m h LYS 124 Cb 0.82 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.95 1s1m h LYS 124 CO 0.05 0.25 -0.21 1.49 -0.57 0.00 0.00 179.45 180.46 1s1m h GLU 125 N 0.38 -0.10 -0.33 3.15 4.81 -1.43 0.36 114.58 121.43 1s1m h GLU 125 Ca 0.14 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1s1m h GLU 125 Cb 0.03 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1s1m h GLU 125 CO -0.08 -0.07 -0.11 0.00 -0.73 0.00 0.00 179.01 178.02 1s1m h ARG 126 N -0.11 0.55 -0.16 1.92 3.08 -1.37 0.79 114.38 119.08 1s1m h ARG 126 Ca 0.22 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1s1m h ARG 126 Cb 0.45 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1s1m h ARG 126 CO -0.54 0.66 -0.06 0.28 -1.07 0.00 0.00 179.97 179.24 1s1m h VAL 127 N 0.51 1.30 -0.08 2.04 2.07 0.38 -2.19 116.25 120.29 1s1m h VAL 127 Ca 0.09 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1s1m h VAL 127 Cb 0.49 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1s1m h VAL 127 CO 0.03 0.32 -0.01 -0.07 0.02 0.00 0.00 177.57 177.86 1s1m h LEU 128 N 0.01 -0.05 -1.98 2.57 3.38 -0.13 -1.22 115.31 117.89 1s1m h LEU 128 Ca 0.04 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.24 1s1m h LEU 128 Cb 0.52 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1s1m h LEU 128 CO 0.02 -0.01 0.57 -0.08 0.09 0.00 0.00 178.44 179.03 1s1m h GLU 129 N 0.02 0.00 0.00 1.13 4.81 -0.73 0.15 114.58 119.96 1s1m h GLU 129 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1s1m h GLU 129 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1s1m h GLU 129 CO -0.07 0.00 -1.20 0.41 -0.73 0.00 0.00 179.01 177.42 1s1m n GLY 130 N -1.66 -1.13 0.10 1.92 0.00 -0.66 -3.83 105.19 99.93 1s1m n GLY 130 Ca 0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1s1m n GLY 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s1m h GLY 131 N 4.53 0.00 0.00 -0.02 0.00 0.35 -3.48 103.07 104.45 1s1m h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s1m h GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1s1m n GLU 132 N -3.18 0.00 -3.32 4.80 -0.58 -0.28 -2.38 120.64 115.70 1s1m n GLU 132 Ca -0.03 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 1s1m n GLU 132 Cb 0.86 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.76 1s1m n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s1m n GLY 133 N 0.00 -1.18 3.01 0.62 0.00 -1.26 -5.05 105.19 101.33 1s1m n GLY 133 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1s1m n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s1m s HIS 134 N -3.19 0.32 -0.01 1.61 3.76 -1.00 -5.05 115.29 111.72 1s1m s HIS 134 Ca 0.22 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 54.26 1s1m s HIS 134 Cb -0.05 -0.23 -0.21 0.00 1.11 0.00 0.00 32.58 33.20 1s1m s HIS 134 CO 0.79 -0.24 1.14 -0.44 -0.85 0.00 0.00 174.74 175.14 1s1m h ASP 135 N 4.27 0.33 -3.62 1.40 3.32 0.85 -3.39 116.42 119.58 1s1m h ASP 135 Ca -0.32 -0.67 -0.49 0.00 0.02 0.00 0.00 57.03 55.56 1s1m h ASP 135 Cb 1.19 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.32 1s1m h ASP 135 CO 0.47 0.95 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.44 1s1m s VAL 136 N -3.53 1.04 -0.15 -1.35 1.01 -0.91 -1.17 120.40 115.34 1s1m s VAL 136 Ca -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1s1m s VAL 136 Cb 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1s1m s VAL 136 CO 0.76 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 175.30 1s1m s VAL 137 N 0.44 2.27 -0.34 2.92 1.01 0.29 -1.85 120.40 125.14 1s1m s VAL 137 Ca -0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1s1m s VAL 137 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1s1m s VAL 137 CO 0.02 0.54 0.31 -0.76 0.00 0.00 0.00 175.10 175.21 1s1m s LEU 138 N 0.86 4.46 -0.42 3.92 1.02 0.04 -0.67 118.68 127.89 1s1m s LEU 138 Ca -0.05 -0.29 -0.10 0.00 0.02 0.00 0.00 54.13 53.70 1s1m s LEU 138 Cb -0.15 -2.26 0.08 0.00 0.02 0.00 0.00 46.19 43.87 1s1m s LEU 138 CO -0.02 -0.29 0.27 -0.69 0.02 0.00 0.00 176.35 175.64 1s1m s VAL 139 N 1.90 4.36 -0.35 -1.59 1.01 0.23 -0.42 120.40 125.53 1s1m s VAL 139 Ca 0.10 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 1s1m s VAL 139 Cb -0.17 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1s1m s VAL 139 CO 0.11 -0.51 0.73 -0.70 0.00 0.00 0.00 175.10 174.73 1s1m s GLU 140 N 1.45 3.76 -0.26 2.72 2.12 0.05 0.15 118.70 128.69 1s1m s GLU 140 Ca 0.03 0.25 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 1s1m s GLU 140 Cb -0.23 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1s1m s GLU 140 CO 0.03 -0.78 0.69 0.42 -0.54 0.00 0.00 175.26 175.08 1s1m s ILE 141 N 2.92 4.92 1.13 -3.70 -1.09 0.18 -2.00 121.20 123.58 1s1m s ILE 141 Ca 0.29 1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 59.75 1s1m s ILE 141 Cb -0.14 -4.01 0.25 0.00 -1.58 0.00 0.00 42.46 36.99 1s1m s ILE 141 CO 0.15 -0.05 1.07 -0.83 -1.23 0.00 0.00 174.94 174.05 1s1m s GLY 142 N 1.48 1.55 0.10 6.18 0.00 0.11 -4.55 107.32 112.19 1s1m s GLY 142 Ca 0.29 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1s1m s GLY 142 CO 0.09 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.00 1s1m n GLY 143 N -0.50 -1.68 3.47 0.20 0.00 -1.26 -4.70 105.19 100.72 1s1m n GLY 143 Ca 0.08 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1s1m n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1m s THR 144 N -0.84 3.70 -0.28 2.61 2.01 -1.26 -4.48 115.64 117.09 1s1m s THR 144 Ca 0.00 -0.43 -0.37 0.00 0.31 0.00 0.00 61.69 61.20 1s1m s THR 144 Cb 0.00 -2.61 -0.13 0.00 0.01 0.00 0.00 72.50 69.77 1s1m s THR 144 CO 0.00 0.50 1.97 0.52 -0.69 0.00 0.00 174.62 176.93 1s1m n VAL 145 N 3.49 0.30 0.00 3.82 0.31 -0.26 -0.72 118.33 125.27 1s1m n VAL 145 Ca -0.18 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1s1m n VAL 145 Cb 0.53 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1s1m n VAL 145 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s1m n GLY 146 N 5.36 1.28 3.88 2.92 0.00 -1.26 -4.67 105.19 112.70 1s1m n GLY 146 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1s1m n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1m s ASP 147 N -0.52 6.32 -0.01 1.61 1.01 0.11 -4.97 116.67 120.22 1s1m s ASP 147 Ca 0.00 1.22 -0.22 0.00 0.71 0.00 0.00 52.55 54.26 1s1m s ASP 147 Cb 0.00 -2.37 -0.21 0.00 1.01 0.00 0.00 42.92 41.35 1s1m s ASP 147 CO 0.00 -0.67 1.15 0.16 0.21 0.00 0.00 175.17 176.01 1s1m h ILE 148 N 0.18 1.45 -1.51 0.77 3.07 -2.00 -3.12 117.51 116.36 1s1m h ILE 148 Ca -0.46 -1.80 0.47 0.00 1.55 0.00 0.00 64.86 64.63 1s1m h ILE 148 Cb 1.19 2.44 -0.10 0.00 -0.27 0.00 0.00 36.82 40.08 1s1m h ILE 148 CO 0.62 0.51 1.03 -0.62 -1.05 0.00 0.00 178.15 178.64 1s1m n GLU 149 N -4.42 -0.02 -0.03 0.16 4.71 -1.26 0.49 120.64 120.27 1s1m n GLU 149 Ca -0.09 1.07 -0.14 0.00 -0.01 0.00 0.00 57.16 57.99 1s1m n GLU 149 Cb 0.52 -2.26 -0.10 0.00 -1.01 0.00 0.00 31.44 28.59 1s1m n GLU 149 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1s1m h SER 150 N 0.00 0.22 0.00 1.62 0.02 -1.87 -3.41 113.55 110.13 1s1m h SER 150 Ca 0.83 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1s1m h SER 150 Cb 2.98 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.45 1s1m h SER 150 CO -0.23 0.82 0.00 0.18 -1.14 0.00 0.00 176.83 176.46 1s1m n LEU 151 N -4.59 0.00 -0.28 5.07 4.77 0.18 -0.14 117.00 122.02 1s1m n LEU 151 Ca -0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1s1m n LEU 151 Cb 0.41 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.88 1s1m n LEU 151 CO 0.38 0.00 1.22 1.55 -1.33 0.00 0.00 177.39 179.21 1s1m h PRO 152 N 0.00 0.69 -0.21 3.23 0.13 -1.79 -0.15 132.00 133.90 1s1m h PRO 152 Ca 0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1s1m h PRO 152 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 1s1m h PRO 152 CO 0.00 0.45 0.01 0.74 -0.23 0.00 0.00 178.00 178.97 1s1m h PHE 153 N 0.71 0.38 -0.62 1.56 0.05 -0.82 -1.66 116.94 116.54 1s1m h PHE 153 Ca 0.46 -0.06 -0.08 0.00 3.82 0.00 0.00 57.97 62.10 1s1m h PHE 153 Cb 0.72 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.55 1s1m h PHE 153 CO -0.00 0.53 0.07 -0.07 -0.18 0.00 0.00 178.31 178.65 1s1m h LEU 154 N 0.13 1.01 -0.52 1.54 3.38 -1.19 -1.05 115.31 118.61 1s1m h LEU 154 Ca 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1s1m h LEU 154 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s1m h LEU 154 CO 0.01 1.03 0.20 -0.08 0.09 0.00 0.00 178.44 179.69 1s1m h GLU 155 N 0.95 0.78 -0.36 1.13 4.57 -1.02 0.83 114.58 121.46 1s1m h GLU 155 Ca 0.18 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1s1m h GLU 155 Cb 0.48 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1s1m h GLU 155 CO 0.02 0.69 0.20 0.00 -1.18 0.00 0.00 179.01 178.74 1s1m h ALA 156 N 1.05 0.47 0.00 2.92 0.00 -1.10 0.16 119.26 122.75 1s1m h ALA 156 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s1m h ALA 156 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s1m h ALA 156 CO -0.01 -0.01 -0.09 -0.84 0.00 0.00 0.00 179.25 178.29 1s1m h ILE 157 N 0.46 0.23 -0.05 0.00 3.07 -0.98 -1.03 117.51 119.22 1s1m h ILE 157 Ca 0.13 -0.82 -0.02 0.00 1.55 0.00 0.00 64.86 65.70 1s1m h ILE 157 Cb 0.05 1.67 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1s1m h ILE 157 CO -0.02 0.09 -0.04 -0.09 -1.05 0.00 0.00 178.15 177.04 1s1m h ARG 158 N 0.00 0.11 -0.60 0.16 2.43 0.40 -1.96 114.38 114.92 1s1m h ARG 158 Ca -0.00 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1s1m h ARG 158 Cb 0.66 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 1s1m h ARG 158 CO 0.01 0.55 0.17 1.96 -1.51 0.00 0.00 179.97 181.15 1s1m h GLN 159 N -0.32 0.31 -0.19 0.20 4.20 -0.34 -1.66 115.11 117.30 1s1m h GLN 159 Ca 0.01 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1s1m h GLN 159 Cb 0.52 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1s1m h GLN 159 CO 0.01 0.21 -0.09 0.52 -0.67 0.00 0.00 178.83 178.81 1s1m h MET 160 N 0.32 -0.06 -0.99 1.46 2.86 -1.08 -0.99 114.93 116.45 1s1m h MET 160 Ca 0.31 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 58.01 1s1m h MET 160 Cb 0.43 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 1s1m h MET 160 CO -0.36 -0.04 0.64 0.00 1.06 0.00 0.00 176.91 178.21 1s1m h ALA 161 N 1.11 1.36 -0.05 6.32 0.00 -0.53 1.12 119.26 128.61 1s1m h ALA 161 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s1m h ALA 161 Cb 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1s1m h ALA 161 CO -0.23 0.45 0.01 0.28 0.00 0.00 0.00 179.25 179.75 1s1m h VAL 162 N 1.17 1.22 0.80 0.00 2.07 -0.98 0.66 116.25 121.19 1s1m h VAL 162 Ca 0.42 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1s1m h VAL 162 Cb 0.14 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1s1m h VAL 162 CO -0.17 0.18 -0.42 -0.08 0.02 0.00 0.00 177.57 177.10 1s1m h GLU 163 N -0.18 -1.08 -0.29 1.57 4.57 -0.46 -3.22 114.58 115.49 1s1m h GLU 163 Ca 0.01 0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 1s1m h GLU 163 Cb 0.28 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1s1m h GLU 163 CO 0.00 -0.72 -0.41 0.82 -1.18 0.00 0.00 179.01 177.52 1s1m h ILE 164 N -1.12 1.29 0.00 2.32 2.04 0.13 -3.50 117.51 118.66 1s1m h ILE 164 Ca -0.11 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1s1m h ILE 164 Cb 0.88 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1s1m h ILE 164 CO 0.16 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.43 1s1m n GLY 165 N 0.07 1.05 0.42 5.37 0.00 0.23 -4.62 105.19 107.71 1s1m n GLY 165 Ca -0.02 -1.63 0.18 0.00 0.00 0.00 0.00 46.02 44.55 1s1m n GLY 165 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s1m h ARG 166 N 0.00 0.00 0.00 1.61 3.08 -1.84 0.36 114.38 117.59 1s1m h ARG 166 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s1m h ARG 166 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s1m h ARG 166 CO 0.00 0.00 -0.00 0.39 -1.07 0.00 0.00 179.97 179.29 1s1m n GLU 167 N -3.13 0.09 -0.47 0.04 -0.58 -1.26 -3.93 120.64 111.41 1s1m n GLU 167 Ca 0.10 0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1s1m n GLU 167 Cb 0.98 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 30.27 1s1m n GLU 167 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1s1m n HIS 168 N -1.77 0.00 -3.83 -0.32 8.25 0.10 -4.49 115.22 113.16 1s1m n HIS 168 Ca 0.06 -0.18 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 1s1m n HIS 168 Cb 0.37 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 1s1m n HIS 168 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1s1m s THR 169 N -0.47 0.04 0.02 1.59 -4.23 -1.14 -1.20 115.64 110.25 1s1m s THR 169 Ca 0.06 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1s1m s THR 169 Cb 0.06 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.53 1s1m s THR 169 CO -0.00 -0.17 0.01 -0.76 -0.54 0.00 0.00 174.62 173.16 1s1m s LEU 170 N -0.58 2.09 -0.21 4.79 1.43 -0.31 -4.68 118.68 121.20 1s1m s LEU 170 Ca -0.07 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1s1m s LEU 170 Cb -0.04 0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1s1m s LEU 170 CO 0.01 -0.35 -0.08 -0.36 0.23 0.00 0.00 176.35 175.81 1s1m s PHE 171 N -1.67 2.93 -0.29 0.29 0.40 -1.26 -1.22 117.98 117.15 1s1m s PHE 171 Ca -0.14 -1.13 -0.03 0.00 -0.60 0.00 0.00 56.93 55.03 1s1m s PHE 171 Cb -0.08 -2.06 0.04 0.00 0.51 0.00 0.00 43.02 41.43 1s1m s PHE 171 CO -0.01 -0.62 0.01 1.41 0.70 0.00 0.00 175.22 176.71 1s1m s MET 172 N 1.43 2.59 -0.08 0.44 1.75 -0.05 -0.89 119.30 124.49 1s1m s MET 172 Ca 0.05 -1.17 0.03 0.00 -1.25 0.00 0.00 55.69 53.35 1s1m s MET 172 Cb -0.14 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.31 1s1m s MET 172 CO -0.05 -0.57 -0.15 -1.58 -0.65 0.00 0.00 175.02 172.02 1s1m s HIS 173 N 1.31 2.71 -0.20 4.11 5.04 -0.23 -0.45 115.29 127.57 1s1m s HIS 173 Ca -0.03 -0.37 -0.07 0.00 -1.54 0.00 0.00 55.06 53.05 1s1m s HIS 173 Cb -0.19 -1.69 -0.03 0.00 0.04 0.00 0.00 32.58 30.70 1s1m s HIS 173 CO -0.01 0.02 0.05 -0.51 -2.34 0.00 0.00 174.74 171.95 1s1m s LEU 174 N -0.32 3.60 0.13 8.88 1.02 0.28 -1.15 118.68 131.12 1s1m s LEU 174 Ca 0.03 -0.05 0.07 0.00 0.02 0.00 0.00 54.13 54.20 1s1m s LEU 174 Cb -0.13 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1s1m s LEU 174 CO 0.02 0.10 -0.17 0.42 0.02 0.00 0.00 176.35 176.74 1s1m s THR 175 N 0.82 1.55 0.13 5.49 -4.23 -0.74 0.29 115.64 118.94 1s1m s THR 175 Ca 0.03 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.61 1s1m s THR 175 Cb -0.14 -1.58 -0.07 0.00 1.34 0.00 0.00 72.50 72.04 1s1m s THR 175 CO 0.02 -0.28 0.73 -0.22 -0.54 0.00 0.00 174.62 174.33 1s1m s LEU 176 N -2.31 4.57 -0.51 4.79 2.96 -1.26 -0.50 118.68 126.42 1s1m s LEU 176 Ca 0.09 1.54 0.04 0.00 -0.22 0.00 0.00 54.13 55.58 1s1m s LEU 176 Cb -0.07 -3.20 0.17 0.00 0.50 0.00 0.00 46.19 43.59 1s1m s LEU 176 CO 0.04 0.21 0.38 -0.69 -1.32 0.00 0.00 176.35 174.97 1s1m s VAL 177 N -1.02 1.22 0.48 1.68 1.01 -0.50 -4.41 120.40 118.85 1s1m s VAL 177 Ca 0.34 -3.15 -0.23 0.00 0.00 0.00 0.00 61.98 58.95 1s1m s VAL 177 Cb -0.22 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1s1m s VAL 177 CO 0.24 -1.14 1.00 -0.81 0.00 0.00 0.00 175.10 174.40 1s1m n PRO 178 N 2.63 1.26 -3.92 2.72 -0.05 -1.26 -4.53 135.00 131.84 1s1m n PRO 178 Ca 0.25 0.46 -0.36 0.00 -0.05 0.00 0.00 63.50 63.80 1s1m n PRO 178 Cb 0.43 -2.10 -0.08 0.00 -0.05 0.00 0.00 33.50 31.70 1s1m n PRO 178 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 1s1m s TYR 179 N -1.35 3.42 -0.21 0.54 5.04 -1.26 -2.48 117.35 121.05 1s1m s TYR 179 Ca 0.66 0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 55.53 1s1m s TYR 179 Cb -0.51 -2.01 -0.05 0.00 0.35 0.00 0.00 41.96 39.74 1s1m s TYR 179 CO 0.54 0.46 0.14 1.41 -1.34 0.00 0.00 175.55 176.77 1s1m s MET 180 N -0.34 4.15 -0.09 4.97 -2.45 0.45 -4.93 119.30 121.07 1s1m s MET 180 Ca 0.10 -0.23 -0.25 0.00 -1.25 0.00 0.00 55.69 54.07 1s1m s MET 180 Cb -0.12 -3.46 -0.21 0.00 1.25 0.00 0.00 34.83 32.29 1s1m s MET 180 CO 0.01 0.22 0.88 0.00 1.05 0.00 0.00 175.02 177.19 1s1m h ALA 181 N 6.95 -0.04 0.70 4.11 0.00 -1.92 0.46 119.26 129.50 1s1m h ALA 181 Ca -0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1s1m h ALA 181 Cb 1.16 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1s1m h ALA 181 CO 0.73 -0.13 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 1s1m h ALA 182 N 0.03 -1.15 -0.47 0.00 0.00 -1.95 -2.10 119.26 113.62 1s1m h ALA 182 Ca -0.00 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1s1m h ALA 182 Cb 0.71 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1s1m h ALA 182 CO 0.01 -1.08 0.33 1.03 0.00 0.00 0.00 179.25 179.53 1s1m h SER 183 N -1.01 0.17 -0.93 0.00 0.87 -1.97 -3.44 113.55 107.24 1s1m h SER 183 Ca -0.10 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 1s1m h SER 183 Cb 0.72 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1s1m h SER 183 CO 0.16 0.10 -0.22 0.61 -0.53 0.00 0.00 176.83 176.95 1s1m n GLY 184 N -1.57 0.59 2.02 5.77 0.00 0.14 -4.95 105.19 107.19 1s1m n GLY 184 Ca 0.08 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 1s1m n GLY 184 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s1m n GLU 185 N -2.36 0.57 -2.89 1.61 0.28 0.05 -4.87 120.64 113.03 1s1m n GLU 185 Ca -0.11 -1.30 -0.42 0.00 -0.16 0.00 0.00 57.16 55.16 1s1m n GLU 185 Cb 0.45 1.52 -0.04 0.00 1.43 0.00 0.00 31.44 34.80 1s1m n GLU 185 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1s1m s VAL 186 N -2.54 4.73 -0.50 3.84 1.01 -1.26 0.17 120.40 125.85 1s1m s VAL 186 Ca 0.11 1.25 -0.20 0.00 0.00 0.00 0.00 61.98 63.13 1s1m s VAL 186 Cb -0.02 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1s1m s VAL 186 CO 0.08 -0.32 0.65 -0.54 0.00 0.00 0.00 175.10 174.97 1s1m s LYS 187 N 3.10 3.17 0.00 2.72 -0.14 -1.03 -4.89 119.74 122.66 1s1m s LYS 187 Ca 0.35 -0.74 0.24 0.00 -1.36 0.00 0.00 55.97 54.46 1s1m s LYS 187 Cb -0.14 -4.06 0.39 0.00 -1.68 0.00 0.00 37.83 32.34 1s1m s LYS 187 CO 0.14 -1.20 1.33 0.25 -0.76 0.00 0.00 175.35 175.11 1s1m n THR 188 N 5.70 0.00 -0.16 2.17 -2.24 -1.26 -4.21 114.28 114.28 1s1m n THR 188 Ca -0.05 -0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1s1m n THR 188 Cb 0.46 0.43 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1s1m n THR 188 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s1m h LYS 189 N 0.21 0.02 -0.39 -0.78 1.63 -1.95 -2.54 116.57 112.76 1s1m h LYS 189 Ca 0.00 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.90 1s1m h LYS 189 Cb 0.51 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1s1m h LYS 189 CO 0.00 0.01 0.28 -1.35 -3.45 0.00 0.00 179.45 174.94 1s1m h PRO 190 N 0.02 0.04 -0.09 1.90 0.11 -1.87 0.13 132.00 132.23 1s1m h PRO 190 Ca 0.24 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1s1m h PRO 190 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1s1m h PRO 190 CO -0.50 0.02 -0.29 1.15 -0.21 0.00 0.00 178.00 178.17 1s1m h THR 191 N 0.04 1.41 0.29 -1.15 2.02 -1.67 -1.17 112.91 112.68 1s1m h THR 191 Ca 0.18 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 1s1m h THR 191 Cb 0.68 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1s1m h THR 191 CO -0.01 0.48 -0.25 1.56 0.37 0.00 0.00 175.52 177.66 1s1m h GLN 192 N -0.11 -0.54 -0.36 6.66 4.20 -1.08 1.02 115.11 124.90 1s1m h GLN 192 Ca -0.01 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1s1m h GLN 192 Cb 0.92 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1s1m h GLN 192 CO 0.06 -0.36 0.24 1.25 -0.67 0.00 0.00 178.83 179.35 1s1m h HIS 193 N -0.56 0.26 -0.02 2.96 2.76 -0.79 0.18 115.15 119.93 1s1m h HIS 193 Ca -0.02 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1s1m h HIS 193 Cb 0.51 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1s1m h HIS 193 CO -0.15 0.14 -0.07 1.03 -1.30 0.00 0.00 177.93 177.58 1s1m h SER 194 N 0.26 0.09 -0.20 3.26 0.87 0.05 -2.42 113.55 115.47 1s1m h SER 194 Ca 0.16 -0.64 0.06 0.00 -1.23 0.00 0.00 61.79 60.13 1s1m h SER 194 Cb 0.29 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1s1m h SER 194 CO -0.03 0.72 0.15 0.58 -0.53 0.00 0.00 176.83 177.72 1s1m h VAL 195 N -0.53 0.83 -0.78 2.23 2.07 0.16 -0.45 116.25 119.79 1s1m h VAL 195 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1s1m h VAL 195 Cb 0.72 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1s1m h VAL 195 CO 0.02 0.00 0.33 0.50 0.02 0.00 0.00 177.57 178.43 1s1m h LYS 196 N 0.00 1.15 -0.41 1.57 3.64 -0.42 -2.11 116.57 120.00 1s1m h LYS 196 Ca 0.09 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 1s1m h LYS 196 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1s1m h LYS 196 CO -0.00 0.92 -0.22 0.93 -2.27 0.00 0.00 179.45 178.80 1s1m h GLU 197 N 1.12 0.82 -0.12 1.90 4.39 -0.59 -0.98 114.58 121.12 1s1m h GLU 197 Ca 0.26 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1s1m h GLU 197 Cb 0.19 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1s1m h GLU 197 CO -0.02 0.96 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.71 1s1m h LEU 198 N 0.71 -0.06 -0.57 1.33 3.38 -1.08 -2.37 115.31 116.65 1s1m h LEU 198 Ca 0.10 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1s1m h LEU 198 Cb 0.75 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1s1m h LEU 198 CO 0.06 -0.01 0.37 -0.07 0.09 0.00 0.00 178.44 178.88 1s1m h LEU 199 N 0.03 0.63 -1.70 1.67 3.38 -0.47 0.20 115.31 119.05 1s1m h LEU 199 Ca 0.06 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.16 1s1m h LEU 199 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1s1m h LEU 199 CO -0.10 0.45 0.63 0.77 0.09 0.00 0.00 178.44 180.28 1s1m h SER 200 N 0.75 0.00 -0.10 -0.43 4.64 -0.63 -0.74 113.55 117.04 1s1m h SER 200 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1s1m h SER 200 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1s1m h SER 200 CO -0.06 0.00 -0.06 2.30 -0.87 0.00 0.00 176.83 178.14 1s1m n ILE 201 N -3.46 2.08 0.00 0.95 -5.35 -0.55 -4.95 119.36 108.08 1s1m n ILE 201 Ca 0.10 -2.31 0.00 0.00 -0.27 0.00 0.00 62.75 60.27 1s1m n ILE 201 Cb 0.82 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1s1m n ILE 201 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s1m n GLY 202 N -1.13 0.41 3.53 3.28 0.00 -0.28 -4.92 105.19 106.07 1s1m n GLY 202 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1s1m n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1m s ILE 203 N -2.07 4.20 -0.36 -0.61 1.01 0.59 -4.94 121.20 119.02 1s1m s ILE 203 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1s1m s ILE 203 Cb 0.00 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.66 1s1m s ILE 203 CO 0.00 0.46 0.13 -1.58 0.00 0.00 0.00 174.94 173.96 1s1m s GLN 204 N 0.54 2.46 0.51 2.79 2.00 -1.26 -1.12 119.66 125.58 1s1m s GLN 204 Ca -0.00 -1.38 -0.23 0.00 -2.00 0.00 0.00 55.36 51.75 1s1m s GLN 204 Cb -0.14 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.12 1s1m s GLN 204 CO 0.02 -0.79 1.39 -2.30 -0.50 0.00 0.00 175.29 173.11 1s1m n PRO 205 N 4.75 1.93 -0.07 1.67 -0.02 -1.26 -4.81 135.00 137.19 1s1m n PRO 205 Ca -0.10 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1s1m n PRO 205 Cb 0.43 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 1s1m n PRO 205 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s1m n ASP 206 N -0.67 0.12 -3.92 2.55 8.00 -0.21 -4.79 116.55 117.62 1s1m n ASP 206 Ca 0.08 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1s1m n ASP 206 Cb 0.43 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 42.41 1s1m n ASP 206 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s1m s ILE 207 N -2.67 0.17 -0.15 0.53 1.01 -0.07 -4.69 121.20 115.32 1s1m s ILE 207 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1s1m s ILE 207 Cb 0.07 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1s1m s ILE 207 CO 0.84 -0.07 -0.12 -0.76 0.00 0.00 0.00 174.94 174.82 1s1m s LEU 208 N -0.37 1.61 -0.38 2.97 1.43 -0.49 -1.07 118.68 122.38 1s1m s LEU 208 Ca -0.03 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1s1m s LEU 208 Cb -0.03 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1s1m s LEU 208 CO -0.00 -0.08 0.22 -0.63 0.23 0.00 0.00 176.35 176.08 1s1m s ILE 209 N 1.53 4.59 -0.36 -0.59 1.09 -0.30 0.22 121.20 127.39 1s1m s ILE 209 Ca 0.04 -0.90 -0.19 0.00 -1.10 0.00 0.00 60.65 58.51 1s1m s ILE 209 Cb -0.13 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1s1m s ILE 209 CO -0.10 -0.27 0.54 0.00 -0.10 0.00 0.00 174.94 175.01 1s1m s ARG 211 N 2.46 4.13 0.12 0.00 1.81 0.34 0.14 118.95 127.97 1s1m s ARG 211 Ca 0.20 0.35 -0.02 0.00 -1.72 0.00 0.00 55.73 54.54 1s1m s ARG 211 Cb -0.15 -3.60 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 1s1m s ARG 211 CO 0.14 -0.23 0.06 0.45 -0.68 0.00 0.00 175.30 175.04 1s1m s SER 212 N 1.32 0.31 0.52 0.23 0.15 -1.09 -1.42 113.70 113.71 1s1m s SER 212 Ca 0.22 -1.17 0.27 0.00 0.70 0.00 0.00 55.95 55.98 1s1m s SER 212 Cb -0.15 0.30 1.39 0.00 -1.71 0.00 0.00 66.02 65.84 1s1m s SER 212 CO 0.09 -0.73 1.92 0.44 1.20 0.00 0.00 173.24 176.16 1s1m h ASP 213 N 2.87 0.07 -5.22 5.45 3.32 -1.90 -2.53 116.42 118.48 1s1m h ASP 213 Ca -0.35 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 1s1m h ASP 213 Cb 1.20 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1s1m h ASP 213 CO 0.59 0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 178.11 1s1m s ARG 214 N -5.06 1.71 0.31 3.56 1.70 -1.26 -4.07 118.95 115.84 1s1m s ARG 214 Ca -0.06 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.62 1s1m s ARG 214 Cb 0.21 0.51 -0.13 0.00 -0.57 0.00 0.00 34.95 34.97 1s1m s ARG 214 CO 0.76 -0.73 1.24 0.00 -1.08 0.00 0.00 175.30 175.48 1s1m n ALA 215 N -0.43 0.86 -2.66 7.88 0.00 -1.26 -4.58 120.51 120.31 1s1m n ALA 215 Ca -0.02 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 1s1m n ALA 215 Cb 0.61 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 1s1m n ALA 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1m s VAL 216 N -0.92 4.97 0.03 0.00 1.01 -1.26 -4.99 120.40 119.24 1s1m s VAL 216 Ca 0.58 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1s1m s VAL 216 Cb -0.62 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1s1m s VAL 216 CO 0.60 0.08 1.38 -2.16 0.00 0.00 0.00 175.10 175.00 1s1m s PRO 217 N 1.97 4.30 0.10 2.72 0.05 -1.26 -4.76 135.00 138.12 1s1m s PRO 217 Ca 0.32 1.97 -0.10 0.00 0.05 0.00 0.00 61.00 63.24 1s1m s PRO 217 Cb -0.16 -3.49 0.07 0.00 0.05 0.00 0.00 34.50 30.97 1s1m s PRO 217 CO 0.11 -0.52 0.71 0.00 0.05 0.00 0.00 177.00 177.35 1s1m n ALA 218 N 4.95 -0.12 -0.25 8.56 0.00 -1.26 0.34 120.51 132.73 1s1m n ALA 218 Ca 0.12 0.44 0.02 0.00 0.00 0.00 0.00 53.44 54.02 1s1m n ALA 218 Cb 0.44 -0.16 0.11 0.00 0.00 0.00 0.00 19.45 19.83 1s1m n ALA 218 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1s1m h ASN 219 N 0.00 -0.55 -0.37 0.00 2.35 -1.98 2.16 115.58 117.20 1s1m h ASN 219 Ca 0.13 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1s1m h ASN 219 Cb 0.25 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1s1m h ASN 219 CO -0.45 -0.22 0.17 -0.33 -1.65 0.00 0.00 177.43 174.95 1s1m h GLU 220 N 0.03 0.54 -0.45 0.81 3.07 0.52 -1.30 114.58 117.81 1s1m h GLU 220 Ca 0.37 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 59.18 1s1m h GLU 220 Cb 0.60 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1s1m h GLU 220 CO -0.71 0.50 0.23 0.00 -1.40 0.00 0.00 179.01 177.63 1s1m h ARG 221 N 0.45 0.45 -0.66 2.33 3.08 0.88 -0.82 114.38 120.10 1s1m h ARG 221 Ca 0.13 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1s1m h ARG 221 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1s1m h ARG 221 CO -0.01 0.30 0.44 0.00 -1.07 0.00 0.00 179.97 179.62 1s1m h ALA 222 N 1.23 1.71 0.44 0.04 0.00 0.36 0.32 119.26 123.37 1s1m h ALA 222 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1s1m h ALA 222 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1s1m h ALA 222 CO -0.12 0.19 -0.21 -0.22 0.00 0.00 0.00 179.25 178.89 1s1m h LYS 223 N 0.71 -0.57 -0.15 0.00 3.64 -0.14 -3.10 116.57 116.96 1s1m h LYS 223 Ca 0.28 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1s1m h LYS 223 Cb 0.20 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1s1m h LYS 223 CO -0.09 -0.28 -0.10 0.82 -2.27 0.00 0.00 179.45 177.53 1s1m h ILE 224 N -0.80 0.70 -0.94 2.00 2.04 -0.20 2.26 117.51 122.57 1s1m h ILE 224 Ca -0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1s1m h ILE 224 Cb 0.55 0.70 -0.11 0.00 -0.74 0.00 0.00 36.82 37.22 1s1m h ILE 224 CO 0.10 0.00 -0.57 0.00 0.00 0.00 0.00 178.15 177.68 1s1m h ALA 225 N 1.01 -0.54 0.00 1.87 0.00 -0.40 -2.34 119.26 118.86 1s1m h ALA 225 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s1m h ALA 225 Cb 0.23 1.36 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1s1m h ALA 225 CO -0.21 -0.94 -0.02 1.25 0.00 0.00 0.00 179.25 179.32 1s1m h LEU 226 N -0.02 0.02 -8.11 0.00 5.85 -1.44 1.98 115.31 113.58 1s1m h LEU 226 Ca 0.15 -0.82 -0.47 0.00 0.84 0.00 0.00 57.88 57.59 1s1m h LEU 226 Cb 0.41 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1s1m h LEU 226 CO -0.89 0.83 1.73 0.49 -0.34 0.00 0.00 178.44 180.25 1s1m n PHE 227 N -4.68 0.67 -0.69 1.25 3.72 0.76 -3.58 117.46 114.91 1s1m n PHE 227 Ca -0.09 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1s1m n PHE 227 Cb 0.41 -2.25 0.00 0.00 -0.94 0.00 0.00 39.48 36.70 1s1m n PHE 227 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s1m n ASN 229 N -2.65 0.00 -1.17 0.00 3.02 -1.26 -4.62 115.26 108.58 1s1m n ASN 229 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1s1m n ASN 229 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1s1m n ASN 229 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s1m n VAL 230 N 0.00 -0.61 -2.85 2.41 0.31 0.66 -4.84 118.33 113.41 1s1m n VAL 230 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1s1m n VAL 230 Cb 0.00 -1.77 0.04 0.00 -0.91 0.00 0.00 33.84 31.21 1s1m n VAL 230 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s1m s PRO 231 N -4.71 2.46 0.00 5.55 0.02 -0.41 -4.96 135.00 132.95 1s1m s PRO 231 Ca 0.06 -1.19 0.00 0.00 0.02 0.00 0.00 61.00 59.89 1s1m s PRO 231 Cb -0.03 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1s1m s PRO 231 CO 0.08 -0.71 0.00 -1.91 -0.33 0.00 0.00 177.00 174.13 1s1m n GLU 232 N -2.22 0.00 -0.39 5.54 4.07 -1.26 -4.45 120.64 121.92 1s1m n GLU 232 Ca 0.11 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.27 1s1m n GLU 232 Cb 0.60 0.00 0.20 0.00 -0.06 0.00 0.00 31.44 32.18 1s1m n GLU 232 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1s1m n LYS 233 N 0.00 1.96 -0.81 5.31 4.81 -1.26 -4.51 118.16 123.66 1s1m n LYS 233 Ca 0.00 -2.86 -0.00 0.00 -0.87 0.00 0.00 58.31 54.58 1s1m n LYS 233 Cb 0.00 -1.69 0.29 0.00 0.02 0.00 0.00 35.03 33.66 1s1m n LYS 233 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s1m n ALA 234 N -1.04 3.99 -2.50 3.14 0.00 -1.26 -4.82 120.51 118.02 1s1m n ALA 234 Ca 0.21 -1.78 -0.42 0.00 0.00 0.00 0.00 53.44 51.45 1s1m n ALA 234 Cb 0.80 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 1s1m n ALA 234 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1m s VAL 235 N -2.53 5.19 -0.04 0.00 1.01 -1.26 -1.39 120.40 121.38 1s1m s VAL 235 Ca 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1s1m s VAL 235 Cb 0.36 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1s1m s VAL 235 CO 0.12 -0.23 0.01 -0.63 0.00 0.00 0.00 175.10 174.38 1s1m s ILE 236 N 1.91 4.30 -0.17 2.22 -1.09 0.61 -4.97 121.20 124.02 1s1m s ILE 236 Ca 0.09 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 1s1m s ILE 236 Cb -0.17 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1s1m s ILE 236 CO 0.12 0.48 0.36 -0.55 -1.23 0.00 0.00 174.94 174.12 1s1m s SER 237 N -1.27 6.48 -0.47 3.58 0.15 -1.26 0.25 113.70 121.17 1s1m s SER 237 Ca 0.17 0.56 0.03 0.00 0.70 0.00 0.00 55.95 57.41 1s1m s SER 237 Cb -0.11 -2.22 0.15 0.00 -1.71 0.00 0.00 66.02 62.13 1s1m s SER 237 CO 0.07 0.02 0.31 -0.22 1.20 0.00 0.00 173.24 174.63 1s1m s LEU 238 N 0.77 2.40 0.99 3.45 2.96 0.12 -4.84 118.68 124.54 1s1m s LEU 238 Ca 0.19 -2.92 -0.12 0.00 -0.22 0.00 0.00 54.13 51.05 1s1m s LEU 238 Cb -0.14 -0.85 0.18 0.00 0.50 0.00 0.00 46.19 45.88 1s1m s LEU 238 CO 0.06 -0.21 1.09 -1.59 -1.32 0.00 0.00 176.35 174.38 1s1m s LYS 239 N 0.04 0.49 -0.10 1.98 -2.85 -1.26 -2.67 119.74 115.37 1s1m s LYS 239 Ca 0.24 0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 55.56 1s1m s LYS 239 Cb -0.11 -1.73 -0.01 0.00 -2.06 0.00 0.00 37.83 33.91 1s1m s LYS 239 CO -0.09 -2.72 1.00 -0.51 0.10 0.00 0.00 175.35 173.13 1s1m s ASP 240 N -3.34 7.25 0.22 0.03 1.01 -0.95 -4.85 116.67 116.04 1s1m s ASP 240 Ca 0.65 1.53 0.07 0.00 0.71 0.00 0.00 52.55 55.52 1s1m s ASP 240 Cb -0.19 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1s1m s ASP 240 CO 0.58 -0.43 0.08 0.68 0.21 0.00 0.00 175.17 176.29 1s1m s VAL 241 N 1.94 4.00 -1.58 -1.27 -7.23 -1.26 -4.92 120.40 110.08 1s1m s VAL 241 Ca 0.48 -1.48 0.27 0.00 -1.81 0.00 0.00 61.98 59.44 1s1m s VAL 241 Cb -0.18 -3.10 0.32 0.00 0.56 0.00 0.00 36.38 33.97 1s1m s VAL 241 CO 0.18 -0.25 1.69 -0.90 -0.31 0.00 0.00 175.10 175.52 1s1m n ASP 242 N -0.68 0.67 -3.60 4.85 5.68 -1.26 -4.78 116.55 117.44 1s1m n ASP 242 Ca -0.08 -0.61 -0.06 0.00 -0.50 0.00 0.00 54.79 53.54 1s1m n ASP 242 Cb 0.57 0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.50 1s1m n ASP 242 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1s1m s SER 243 N -2.57 -0.48 0.67 -1.12 0.15 -1.26 -5.00 113.70 104.07 1s1m s SER 243 Ca 0.24 1.06 0.44 0.00 0.70 0.00 0.00 55.95 58.39 1s1m s SER 243 Cb 0.19 1.61 2.40 0.00 -1.71 0.00 0.00 66.02 68.51 1s1m s SER 243 CO 0.52 -0.24 2.35 0.16 1.20 0.00 0.00 173.24 177.24 1s1m h ILE 244 N 6.12 0.00 0.00 6.45 3.07 -2.04 -0.31 117.51 130.80 1s1m h ILE 244 Ca -0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1s1m h ILE 244 Cb 1.11 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1s1m h ILE 244 CO 0.14 0.00 0.00 1.88 -1.05 0.00 0.00 178.15 179.12 1s1m h TYR 245 N 0.00 0.00 0.00 0.16 0.99 -1.96 -1.66 116.97 114.50 1s1m h TYR 245 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1s1m h TYR 245 Cb 0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.76 1s1m h TYR 245 CO 0.00 0.00 -0.39 1.63 -0.00 0.00 0.00 178.16 179.40 1s1m n LYS 246 N -2.54 0.12 -0.01 4.88 5.02 -0.13 -4.38 118.16 121.12 1s1m n LYS 246 Ca -0.01 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1s1m n LYS 246 Cb 0.13 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1s1m n LYS 246 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1s1m h ILE 247 N 0.00 1.11 -0.98 -0.18 2.04 -1.45 -1.98 117.51 116.08 1s1m h ILE 247 Ca 0.00 -0.32 0.18 0.00 1.00 0.00 0.00 64.86 65.72 1s1m h ILE 247 Cb 0.60 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.74 1s1m h ILE 247 CO 0.00 0.10 0.61 -0.65 0.00 0.00 0.00 178.15 178.21 1s1m h PRO 248 N 0.03 0.71 -0.45 2.37 0.11 -1.78 -0.17 132.00 132.83 1s1m h PRO 248 Ca 0.03 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 1s1m h PRO 248 Cb 0.11 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1s1m h PRO 248 CO -0.00 0.47 -0.14 0.78 -0.21 0.00 0.00 178.00 178.89 1s1m h GLY 249 N 0.73 0.96 0.96 -0.55 0.00 -1.75 -0.83 103.07 102.59 1s1m h GLY 249 Ca 0.53 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1s1m h GLY 249 CO -0.30 0.75 -0.03 1.41 0.00 0.00 0.00 176.54 178.36 1s1m h LEU 250 N 0.72 0.72 -0.45 3.11 3.38 -0.49 0.13 115.31 122.44 1s1m h LEU 250 Ca 0.11 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1s1m h LEU 250 Cb 0.70 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1s1m h LEU 250 CO 0.05 0.88 0.07 -0.07 0.09 0.00 0.00 178.44 179.46 1s1m h LEU 251 N 0.55 0.72 -0.80 1.67 3.38 -1.03 -2.31 115.31 117.50 1s1m h LEU 251 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1s1m h LEU 251 Cb 0.53 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1s1m h LEU 251 CO 0.03 0.80 0.46 0.50 0.09 0.00 0.00 178.44 180.32 1s1m h LYS 252 N 0.62 1.10 -0.62 1.13 3.64 -0.96 -0.29 116.57 121.20 1s1m h LYS 252 Ca 0.14 -0.12 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1s1m h LYS 252 Cb 0.39 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1s1m h LYS 252 CO 0.01 0.80 0.43 0.66 -2.27 0.00 0.00 179.45 179.08 1s1m h SER 253 N 1.11 0.15 0.24 4.20 4.64 -0.36 0.40 113.55 123.93 1s1m h SER 253 Ca 0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1s1m h SER 253 Cb -0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1s1m h SER 253 CO -0.05 0.08 -0.16 0.00 -0.87 0.00 0.00 176.83 175.83 1s1m n GLN 254 N -4.41 0.89 -0.70 4.77 6.02 -0.15 -4.95 117.38 118.84 1s1m n GLN 254 Ca 0.11 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 1s1m n GLN 254 Cb 0.58 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1s1m n GLN 254 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s1m n GLY 255 N 1.28 0.74 0.28 1.08 0.00 0.13 -4.97 105.19 103.73 1s1m n GLY 255 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1s1m n GLY 255 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s1m h LEU 256 N 0.00 -0.51 -0.70 0.99 5.85 -1.76 0.15 115.31 119.33 1s1m h LEU 256 Ca 0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1s1m h LEU 256 Cb 0.00 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1s1m h LEU 256 CO 0.00 -0.22 0.22 -2.24 -0.34 0.00 0.00 178.44 175.86 1s1m h ASP 257 N 0.05 1.01 0.02 1.25 2.03 -1.89 -1.19 116.42 117.70 1s1m h ASP 257 Ca 0.39 -0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1s1m h ASP 257 Cb 0.65 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1s1m h ASP 257 CO -0.72 0.95 -0.01 0.44 -1.03 0.00 0.00 179.24 178.88 1s1m h ASP 258 N 1.02 -0.02 -0.33 4.15 3.32 -1.52 0.34 116.42 123.38 1s1m h ASP 258 Ca 0.22 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.27 1s1m h ASP 258 Cb 0.30 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1s1m h ASP 258 CO -0.01 0.06 -0.26 0.22 -1.72 0.00 0.00 179.24 177.53 1s1m h TYR 259 N -0.11 -0.70 -0.93 4.55 3.20 -0.57 -1.24 116.97 121.17 1s1m h TYR 259 Ca -0.00 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1s1m h TYR 259 Cb 0.10 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1s1m h TYR 259 CO -0.05 -0.34 0.59 0.82 -1.64 0.00 0.00 178.16 177.54 1s1m h ILE 260 N -0.23 1.06 -0.27 1.81 2.04 -0.65 -1.62 117.51 119.65 1s1m h ILE 260 Ca 0.16 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 1s1m h ILE 260 Cb 0.49 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1s1m h ILE 260 CO -0.46 0.19 -0.45 0.00 0.00 0.00 0.00 178.15 177.44 1s1m h LYS 262 N 0.56 -0.93 -0.86 0.00 3.64 -1.02 1.76 116.57 119.71 1s1m h LYS 262 Ca 0.04 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.70 1s1m h LYS 262 Cb 1.00 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 1s1m h LYS 262 CO 0.09 -0.62 0.22 -0.09 -2.27 0.00 0.00 179.45 176.78 1s1m h ARG 263 N -1.09 0.21 -0.00 1.90 9.65 -1.32 1.38 114.38 125.11 1s1m h ARG 263 Ca -0.10 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1s1m h ARG 263 Cb 0.74 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1s1m h ARG 263 CO 0.16 0.14 -0.03 1.19 2.80 0.00 0.00 179.97 184.23 1s1m n PHE 264 N -5.22 0.00 -3.56 2.20 3.72 -0.60 -4.78 117.46 109.22 1s1m n PHE 264 Ca 0.20 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.38 1s1m n PHE 264 Cb 0.64 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 39.18 1s1m n PHE 264 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1s1m n SER 265 N -0.78 -5.21 -4.47 4.37 7.64 0.47 -4.94 113.62 110.71 1s1m n SER 265 Ca 0.19 -0.57 -0.43 0.00 1.01 0.00 0.00 58.87 59.07 1s1m n SER 265 Cb 0.22 -5.03 -0.10 0.00 -1.01 0.00 0.00 64.21 58.29 1s1m n SER 265 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s1m s LEU 266 N -7.07 5.06 -0.30 -3.43 1.43 0.54 -5.00 118.68 109.91 1s1m s LEU 266 Ca 0.43 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 1s1m s LEU 266 Cb -0.19 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1s1m s LEU 266 CO 0.73 -0.47 0.94 0.21 0.23 0.00 0.00 176.35 177.99 1s1m s ASN 267 N 1.70 6.82 -0.14 2.29 2.47 -1.26 -4.61 114.94 122.21 1s1m s ASN 267 Ca 0.06 0.91 -0.29 0.00 0.42 0.00 0.00 52.86 53.96 1s1m s ASN 267 Cb -0.19 -2.48 0.10 0.00 -1.45 0.00 0.00 41.25 37.24 1s1m s ASN 267 CO 0.11 -0.73 0.87 0.00 -3.72 0.00 0.00 177.10 173.63 1s1m n PRO 269 N 1.11 1.05 -1.76 0.00 -0.04 -1.26 -4.91 135.00 129.18 1s1m n PRO 269 Ca -0.14 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1s1m n PRO 269 Cb 0.57 -2.01 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1s1m n PRO 269 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1s1m n GLU 270 N -0.24 2.69 -1.71 0.54 2.13 -1.26 -4.62 120.64 118.17 1s1m n GLU 270 Ca 0.11 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.46 1s1m n GLU 270 Cb 0.43 -2.70 -0.03 0.00 0.27 0.00 0.00 31.44 29.41 1s1m n GLU 270 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s1m n ALA 271 N 1.13 2.64 -3.12 4.31 0.00 -1.26 -4.77 120.51 119.43 1s1m n ALA 271 Ca 0.04 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.41 1s1m n ALA 271 Cb 0.38 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.20 1s1m n ALA 271 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s1m s ASN 272 N 1.77 6.01 -0.24 0.00 3.04 -1.16 -4.95 114.94 119.42 1s1m s ASN 272 Ca 0.78 -1.52 0.03 0.00 0.04 0.00 0.00 52.86 52.18 1s1m s ASN 272 Cb -0.49 -2.13 0.37 0.00 -1.54 0.00 0.00 41.25 37.46 1s1m s ASN 272 CO 0.34 -0.67 1.48 0.18 -3.04 0.00 0.00 177.10 175.38 1s1m n LEU 273 N 5.12 4.93 -0.25 3.21 4.77 -1.26 -4.62 117.00 128.90 1s1m n LEU 273 Ca -0.12 -2.58 0.05 0.00 -0.03 0.00 0.00 56.01 53.33 1s1m n LEU 273 Cb 0.42 -0.68 0.18 0.00 -2.33 0.00 0.00 43.42 41.02 1s1m n LEU 273 CO 0.47 0.77 0.99 0.28 -1.33 0.00 0.00 177.39 178.57 1s1m h SER 274 N 0.69 0.20 -0.28 -1.43 0.02 -1.99 0.86 113.55 111.62 1s1m h SER 274 Ca 0.32 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1s1m h SER 274 Cb 1.97 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.61 1s1m h SER 274 CO 0.58 0.06 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.89 1s1m h GLU 275 N 0.39 0.69 -0.24 3.45 5.08 -1.99 0.29 114.58 122.25 1s1m h GLU 275 Ca 0.41 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1s1m h GLU 275 Cb 0.64 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s1m h GLU 275 CO -0.43 0.79 -0.32 -1.49 -1.00 0.00 0.00 179.01 176.56 1s1m h TRP 276 N 0.63 0.77 -0.77 4.33 4.06 -1.64 -1.34 115.95 121.99 1s1m h TRP 276 Ca 0.11 -0.25 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 1s1m h TRP 276 Cb 0.56 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 1s1m h TRP 276 CO 0.03 0.99 0.40 1.05 -3.56 0.00 0.00 178.44 177.35 1s1m h GLU 277 N 0.34 1.08 -0.00 0.49 4.11 -0.67 -0.83 114.58 119.10 1s1m h GLU 277 Ca 0.03 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 59.35 1s1m h GLU 277 Cb 0.90 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1s1m h GLU 277 CO 0.07 0.81 -0.16 0.37 0.07 0.00 0.00 179.01 180.17 1s1m h GLN 278 N 1.08 -0.25 -0.54 1.06 5.75 -0.67 0.11 115.11 121.65 1s1m h GLN 278 Ca 0.27 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.86 1s1m h GLN 278 Cb 0.05 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 1s1m h GLN 278 CO -0.04 -0.17 0.19 0.28 -2.65 0.00 0.00 178.83 176.44 1s1m h VAL 279 N -0.26 0.81 -0.10 2.39 2.07 -0.81 0.91 116.25 121.27 1s1m h VAL 279 Ca 0.05 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1s1m h VAL 279 Cb 0.33 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1s1m h VAL 279 CO -0.16 0.07 0.01 0.40 0.02 0.00 0.00 177.57 177.91 1s1m h ILE 280 N 0.38 0.95 -0.05 4.57 2.04 -0.66 -1.05 117.51 123.69 1s1m h ILE 280 Ca 0.26 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.14 1s1m h ILE 280 Cb 0.29 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1s1m h ILE 280 CO -0.26 0.01 -0.20 0.15 0.00 0.00 0.00 178.15 177.84 1s1m h PHE 281 N 0.05 -0.54 -0.16 1.37 3.57 -0.14 0.43 116.94 121.52 1s1m h PHE 281 Ca 0.04 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1s1m h PHE 281 Cb 0.04 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1s1m h PHE 281 CO -0.12 -0.29 -0.13 0.93 -2.23 0.00 0.00 178.31 176.48 1s1m h GLU 282 N -0.30 -0.13 -0.87 1.11 5.08 -0.68 -1.35 114.58 117.44 1s1m h GLU 282 Ca 0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1s1m h GLU 282 Cb 0.40 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1s1m h GLU 282 CO -0.22 -0.09 0.57 1.49 -1.00 0.00 0.00 179.01 179.76 1s1m h GLU 283 N -0.13 1.02 0.00 2.33 4.81 -0.62 -0.38 114.58 121.60 1s1m h GLU 283 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1s1m h GLU 283 Cb 0.28 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1s1m h GLU 283 CO -0.25 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1s1m h ALA 284 N 1.50 1.00 -2.14 2.92 0.00 0.67 -3.36 119.26 119.86 1s1m h ALA 284 Ca 0.36 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.71 1s1m h ALA 284 Cb 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.47 1s1m h ALA 284 CO -0.12 0.00 -0.86 0.09 0.00 0.00 0.00 179.25 178.36 1s1m n ASN 285 N -2.40 2.57 -4.76 0.00 3.02 -0.15 -5.07 115.26 108.47 1s1m n ASN 285 Ca 0.03 -3.27 -0.32 0.00 -0.03 0.00 0.00 54.58 50.99 1s1m n ASN 285 Cb 0.31 -0.61 0.09 0.00 -0.61 0.00 0.00 39.78 38.95 1s1m n ASN 285 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s1m s PRO 286 N -2.56 2.29 -0.21 3.52 0.04 -1.24 -4.92 135.00 131.93 1s1m s PRO 286 Ca 0.42 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1s1m s PRO 286 Cb 0.25 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.78 1s1m s PRO 286 CO -0.09 -1.63 -0.23 0.28 0.04 0.00 0.00 177.00 175.37 1s1m n VAL 287 N -3.24 1.17 -4.61 -0.36 0.31 0.41 -4.97 118.33 107.04 1s1m n VAL 287 Ca 0.10 -0.37 -0.28 0.00 -0.01 0.00 0.00 64.34 63.78 1s1m n VAL 287 Cb 0.52 -1.52 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 1s1m n VAL 287 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s1m s SER 288 N -6.48 3.36 -0.02 4.52 1.04 -1.05 -5.05 113.70 110.02 1s1m s SER 288 Ca -0.29 -1.60 -0.01 0.00 0.48 0.00 0.00 55.95 54.53 1s1m s SER 288 Cb 0.09 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1s1m s SER 288 CO 0.42 -0.81 0.04 -0.70 0.98 0.00 0.00 173.24 173.17 1s1m s GLU 289 N -3.80 0.01 0.32 4.02 2.12 -1.26 -0.60 118.70 119.51 1s1m s GLU 289 Ca 0.20 0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.71 1s1m s GLU 289 Cb 0.04 -0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 1s1m s GLU 289 CO 0.11 -0.09 0.05 0.14 -0.54 0.00 0.00 175.26 174.92 1s1m s VAL 290 N 0.59 1.23 -0.18 3.70 -7.23 0.02 -4.92 120.40 113.60 1s1m s VAL 290 Ca -0.05 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1s1m s VAL 290 Cb -0.07 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.16 1s1m s VAL 290 CO -0.02 -0.04 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.80 1s1m s THR 291 N -3.27 1.12 -0.09 5.32 2.01 -1.26 0.68 115.64 120.15 1s1m s THR 291 Ca 0.36 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1s1m s THR 291 Cb 0.08 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1s1m s THR 291 CO 0.15 0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.48 1s1m s ILE 292 N 1.61 4.09 -0.27 1.82 1.01 0.36 -0.37 121.20 129.44 1s1m s ILE 292 Ca -0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1s1m s ILE 292 Cb -0.16 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1s1m s ILE 292 CO -0.07 0.59 0.22 -0.83 0.00 0.00 0.00 174.94 174.84 1s1m s GLY 293 N -0.69 1.93 -0.39 6.18 0.00 0.01 0.67 107.32 115.03 1s1m s GLY 293 Ca 0.11 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 1s1m s GLY 293 CO 0.02 0.68 0.23 -0.29 0.00 0.00 0.00 173.10 173.74 1s1m s MET 294 N 1.74 2.76 -0.41 2.90 1.75 -0.12 0.15 119.30 128.07 1s1m s MET 294 Ca 0.08 -1.21 -0.09 0.00 -1.25 0.00 0.00 55.69 53.23 1s1m s MET 294 Cb -0.16 -3.76 0.07 0.00 2.84 0.00 0.00 34.83 33.83 1s1m s MET 294 CO 0.10 -0.79 0.24 0.08 -0.65 0.00 0.00 175.02 174.01 1s1m s VAL 295 N 1.52 4.19 0.18 10.11 1.01 0.49 0.99 120.40 138.89 1s1m s VAL 295 Ca 0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 1s1m s VAL 295 Cb -0.21 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1s1m s VAL 295 CO 0.05 -0.47 0.25 0.61 0.00 0.00 0.00 175.10 175.54 1s1m n GLY 296 N 4.90 2.68 0.47 4.51 0.00 0.10 -4.25 105.19 113.61 1s1m n GLY 296 Ca -0.10 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.48 1s1m n GLY 296 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s1m n LYS 297 N -0.30 1.55 -3.11 1.61 2.85 -1.26 -0.25 118.16 119.24 1s1m n LYS 297 Ca 0.01 -1.00 -0.28 0.00 -1.05 0.00 0.00 58.31 55.99 1s1m n LYS 297 Cb 0.31 -1.35 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 1s1m n LYS 297 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s1m n TYR 298 N 0.10 3.83 1.03 5.58 4.02 -1.26 -4.84 117.16 125.61 1s1m n TYR 298 Ca 0.08 -3.97 0.11 0.00 -0.01 0.00 0.00 57.90 54.11 1s1m n TYR 298 Cb 0.40 -0.56 0.13 0.00 -0.02 0.00 0.00 39.34 39.29 1s1m n TYR 298 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1s1m n ILE 299 N 0.21 0.00 -0.32 -0.72 5.41 -1.26 -3.93 119.36 118.74 1s1m n ILE 299 Ca 0.31 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 64.10 1s1m n ILE 299 Cb 0.39 0.58 0.27 0.00 -0.71 0.00 0.00 39.64 40.17 1s1m n ILE 299 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1s1m h GLU 300 N 0.31 0.91 -3.55 0.38 4.81 -1.99 -3.26 114.58 112.18 1s1m h GLU 300 Ca 0.00 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 58.52 1s1m h GLU 300 Cb 0.52 -0.20 -0.39 0.00 0.63 0.00 0.00 28.75 29.30 1s1m h GLU 300 CO 0.00 0.60 -0.55 -1.17 -0.73 0.00 0.00 179.01 177.16 1s1m s LEU 301 N -10.07 4.65 0.47 1.64 2.96 -1.25 -4.92 118.68 112.16 1s1m s LEU 301 Ca -0.11 -2.89 0.21 0.00 -0.22 0.00 0.00 54.13 51.12 1s1m s LEU 301 Cb 0.22 -1.71 1.21 0.00 0.50 0.00 0.00 46.19 46.41 1s1m s LEU 301 CO 0.80 -0.29 1.91 1.55 -1.32 0.00 0.00 176.35 179.00 1s1m h PRO 302 N 6.76 0.24 0.00 0.98 0.13 -1.79 1.04 132.00 139.36 1s1m h PRO 302 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1s1m h PRO 302 Cb 0.92 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1s1m h PRO 302 CO 0.69 0.16 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 1s1m n ASP 303 N -4.43 0.00 0.18 1.44 9.92 -1.26 -0.13 116.55 122.27 1s1m n ASP 303 Ca 0.16 0.37 0.14 0.00 -0.53 0.00 0.00 54.79 54.93 1s1m n ASP 303 Cb 0.68 -0.38 0.48 0.00 -0.64 0.00 0.00 41.12 41.26 1s1m n ASP 303 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s1m h ALA 304 N 2.04 1.00 0.00 2.24 0.00 0.93 -0.17 119.26 125.30 1s1m h ALA 304 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1s1m h ALA 304 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1s1m h ALA 304 CO 0.00 0.00 -0.54 0.66 0.00 0.00 0.00 179.25 179.37 1s1m n TYR 305 N -2.61 0.00 -0.41 0.00 0.53 0.82 -3.97 117.16 111.52 1s1m n TYR 305 Ca 0.03 -1.02 -0.10 0.00 -1.02 0.00 0.00 57.90 55.79 1s1m n TYR 305 Cb 0.34 -0.19 -0.09 0.00 -1.03 0.00 0.00 39.34 38.38 1s1m n TYR 305 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1s1m n LYS 306 N -0.67 -0.42 -0.03 -0.72 4.81 -1.18 -1.58 118.16 118.38 1s1m n LYS 306 Ca 0.13 1.49 0.01 0.00 -0.87 0.00 0.00 58.31 59.08 1s1m n LYS 306 Cb 0.80 -2.19 0.34 0.00 0.02 0.00 0.00 35.03 33.99 1s1m n LYS 306 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1s1m h SER 307 N 0.00 0.53 0.08 3.14 0.02 -1.91 -2.27 113.55 113.14 1s1m h SER 307 Ca 0.17 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1s1m h SER 307 Cb 0.42 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1s1m h SER 307 CO -0.93 0.49 -0.04 0.58 -1.14 0.00 0.00 176.83 175.79 1s1m h VAL 308 N 0.58 1.11 -0.81 2.27 2.07 -1.61 -1.49 116.25 118.37 1s1m h VAL 308 Ca 0.14 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1s1m h VAL 308 Cb 0.13 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1s1m h VAL 308 CO -0.01 0.16 0.53 0.40 0.02 0.00 0.00 177.57 178.67 1s1m h ILE 309 N -0.40 1.09 -0.23 4.57 2.04 -1.33 0.66 117.51 123.92 1s1m h ILE 309 Ca -0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 1s1m h ILE 309 Cb 0.34 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1s1m h ILE 309 CO 0.02 0.17 -0.41 -0.33 0.00 0.00 0.00 178.15 177.60 1s1m h GLU 310 N 0.94 0.54 -0.35 2.37 4.39 -1.29 -2.22 114.58 118.98 1s1m h GLU 310 Ca 0.34 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1s1m h GLU 310 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1s1m h GLU 310 CO -0.11 0.86 -0.20 0.00 -1.16 0.00 0.00 179.01 178.40 1s1m h ALA 311 N 1.11 0.49 -0.35 3.43 0.00 0.02 0.82 119.26 124.78 1s1m h ALA 311 Ca 0.04 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1s1m h ALA 311 Cb 0.90 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1s1m h ALA 311 CO 0.08 0.44 0.14 -0.07 0.00 0.00 0.00 179.25 179.84 1s1m h LEU 312 N 0.52 0.19 -0.81 0.00 3.38 0.34 0.61 115.31 119.55 1s1m h LEU 312 Ca 0.07 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1s1m h LEU 312 Cb 0.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1s1m h LEU 312 CO 0.06 0.14 0.46 0.11 0.09 0.00 0.00 178.44 179.30 1s1m h LYS 313 N 0.31 0.76 -0.22 1.13 1.57 -0.83 -0.45 116.57 118.84 1s1m h LYS 313 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s1m h LYS 313 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1s1m h LYS 313 CO -0.14 0.50 0.12 0.45 -0.57 0.00 0.00 179.45 179.82 1s1m h HIS 314 N 0.78 0.31 -0.99 -1.35 3.86 -0.05 0.25 115.15 117.97 1s1m h HIS 314 Ca 0.38 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.77 1s1m h HIS 314 Cb 0.34 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.61 1s1m h HIS 314 CO -0.06 0.27 0.61 0.78 0.86 0.00 0.00 177.93 180.40 1s1m h GLY 315 N 0.25 1.63 1.43 2.45 0.00 0.29 0.28 103.07 109.40 1s1m h GLY 315 Ca 0.08 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1s1m h GLY 315 CO -0.01 -0.02 -0.26 -1.33 0.00 0.00 0.00 176.54 174.92 1s1m h GLY 316 N 0.75 0.71 0.92 4.60 0.00 0.03 -2.83 103.07 107.25 1s1m h GLY 316 Ca 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1s1m h GLY 316 CO -0.33 0.56 -0.08 1.41 0.00 0.00 0.00 176.54 178.10 1s1m h LEU 317 N 0.57 -0.20 0.00 3.11 3.38 0.15 0.17 115.31 122.49 1s1m h LEU 317 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1s1m h LEU 317 Cb 0.74 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1s1m h LEU 317 CO 0.06 -0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.75 1s1m n LYS 318 N -5.19 0.06 0.00 1.13 4.76 -0.38 -2.27 118.16 116.27 1s1m n LYS 318 Ca -0.08 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1s1m n LYS 318 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1s1m n LYS 318 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1s1m n ASN 319 N -1.30 0.63 -3.79 4.39 3.02 -0.76 -5.00 115.26 112.46 1s1m n ASN 319 Ca 0.02 -1.10 -0.28 0.00 -0.03 0.00 0.00 54.58 53.20 1s1m n ASN 319 Cb 0.04 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.25 1s1m n ASN 319 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s1m n ARG 320 N -0.05 -6.50 -4.72 3.52 5.12 0.42 -4.78 116.66 109.67 1s1m n ARG 320 Ca 0.00 0.69 -0.33 0.00 -1.93 0.00 0.00 57.85 56.28 1s1m n ARG 320 Cb 0.16 -5.64 -0.15 0.00 -1.16 0.00 0.00 32.46 25.67 1s1m n ARG 320 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s1m s VAL 321 N -3.32 2.85 -0.43 1.55 1.01 -0.16 0.16 120.40 122.06 1s1m s VAL 321 Ca 0.62 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 1s1m s VAL 321 Cb -0.29 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1s1m s VAL 321 CO 0.79 0.52 0.84 -0.55 0.00 0.00 0.00 175.10 176.71 1s1m s SER 322 N 0.52 6.50 -0.17 3.32 0.15 0.23 -4.32 113.70 119.93 1s1m s SER 322 Ca -0.10 0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.49 1s1m s SER 322 Cb -0.16 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1s1m s SER 322 CO 0.04 -0.91 0.57 -0.69 1.20 0.00 0.00 173.24 173.45 1s1m s VAL 323 N 3.41 5.09 -0.35 4.45 1.01 -1.26 -0.80 120.40 131.95 1s1m s VAL 323 Ca 0.33 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 1s1m s VAL 323 Cb -0.12 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1s1m s VAL 323 CO 0.22 0.19 0.19 0.20 0.00 0.00 0.00 175.10 175.91 1s1m s ASN 324 N 1.02 5.72 -0.22 3.32 0.01 0.21 -4.95 114.94 120.05 1s1m s ASN 324 Ca 0.28 -0.73 -0.19 0.00 -0.71 0.00 0.00 52.86 51.50 1s1m s ASN 324 Cb -0.16 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 1s1m s ASN 324 CO 0.11 -0.29 0.57 -0.63 -1.51 0.00 0.00 177.10 175.35 1s1m s ILE 325 N 1.61 5.05 -0.34 0.60 1.01 -1.26 0.13 121.20 128.00 1s1m s ILE 325 Ca 0.04 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 1s1m s ILE 325 Cb -0.18 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.46 1s1m s ILE 325 CO 0.07 0.11 0.09 -0.75 0.00 0.00 0.00 174.94 174.46 1s1m s LYS 326 N 1.99 2.45 -0.19 2.79 2.20 0.21 -4.94 119.74 124.25 1s1m s LYS 326 Ca 0.25 -1.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 1s1m s LYS 326 Cb -0.16 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1s1m s LYS 326 CO 0.10 -0.73 1.21 -0.51 -0.36 0.00 0.00 175.35 175.06 1s1m s LEU 327 N 1.31 4.15 -0.01 5.43 1.43 -1.26 -0.95 118.68 128.78 1s1m s LEU 327 Ca -0.01 1.60 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 1s1m s LEU 327 Cb -0.20 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 1s1m s LEU 327 CO 0.00 -0.75 -0.17 -0.63 0.23 0.00 0.00 176.35 175.03 1s1m s ILE 328 N 3.47 1.34 -0.34 -0.59 1.01 0.28 -4.94 121.20 121.43 1s1m s ILE 328 Ca 0.52 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 1s1m s ILE 328 Cb -0.20 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1s1m s ILE 328 CO 0.13 0.38 0.70 -0.62 0.00 0.00 0.00 174.94 175.53 1s1m s ASP 329 N -0.40 6.52 0.25 3.58 -1.08 -1.25 0.03 116.67 124.31 1s1m s ASP 329 Ca 0.07 0.37 0.08 0.00 -0.52 0.00 0.00 52.55 52.55 1s1m s ASP 329 Cb -0.07 -2.36 0.76 0.00 -1.46 0.00 0.00 42.92 39.80 1s1m s ASP 329 CO -0.01 -0.60 1.14 -1.54 0.52 0.00 0.00 175.17 174.68 1s1m n SER 330 N 6.12 0.08 0.00 -0.34 3.41 0.66 -2.33 113.62 121.22 1s1m n SER 330 Ca 0.01 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1s1m n SER 330 Cb 0.48 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1s1m n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s1m n GLN 331 N -4.82 0.00 -0.10 4.33 6.02 -1.26 -2.76 117.38 118.79 1s1m n GLN 331 Ca 0.22 0.08 0.04 0.00 -0.01 0.00 0.00 57.00 57.34 1s1m n GLN 331 Cb 0.74 -0.76 0.08 0.00 1.02 0.00 0.00 30.24 31.32 1s1m n GLN 331 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s1m n ASP 332 N -0.35 -0.04 -0.11 1.08 9.92 -0.98 0.33 116.55 126.40 1s1m n ASP 332 Ca 0.00 0.49 -0.11 0.00 -0.53 0.00 0.00 54.79 54.64 1s1m n ASP 332 Cb 0.00 -0.18 -0.08 0.00 -0.64 0.00 0.00 41.12 40.22 1s1m n ASP 332 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1s1m h VAL 333 N 0.00 0.00 -0.04 2.53 2.07 -1.45 5.09 116.25 124.45 1s1m h VAL 333 Ca 0.17 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.49 1s1m h VAL 333 Cb 0.35 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1s1m h VAL 333 CO -0.28 0.00 -0.35 -1.84 0.02 0.00 0.00 177.57 175.12 1s1m n GLU 334 N -4.82 2.02 0.17 1.57 0.28 1.01 -1.78 120.64 119.08 1s1m n GLU 334 Ca -0.03 -1.06 0.00 0.00 -0.16 0.00 0.00 57.16 55.92 1s1m n GLU 334 Cb 0.27 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1s1m n GLU 334 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1s1m n THR 335 N 2.44 0.00 1.66 3.84 -1.04 0.23 -4.90 114.28 116.50 1s1m n THR 335 Ca 0.43 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.59 1s1m n THR 335 Cb 0.90 0.00 0.67 0.00 -1.82 0.00 0.00 70.33 70.08 1s1m n THR 335 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1s1m n ARG 336 N -3.26 1.38 0.00 -2.82 0.63 1.60 -5.02 116.66 109.17 1s1m n ARG 336 Ca 0.00 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 56.33 1s1m n ARG 336 Cb 0.00 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1s1m n ARG 336 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s1m n GLY 337 N 1.12 0.74 0.00 5.14 0.00 -0.73 -4.41 105.19 107.05 1s1m n GLY 337 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1s1m n GLY 337 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s1m n VAL 338 N 0.00 0.00 1.55 1.61 3.14 -1.26 -4.37 118.33 119.00 1s1m n VAL 338 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1s1m n VAL 338 Cb 0.00 0.34 0.75 0.00 -1.06 0.00 0.00 33.84 33.86 1s1m n VAL 338 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1s1m n GLU 339 N 0.00 0.74 0.01 1.45 1.02 -1.26 -1.96 120.64 120.65 1s1m n GLU 339 Ca 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1s1m n GLU 339 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1s1m n GLU 339 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1s1m h ILE 340 N 0.00 1.13 0.00 -3.67 3.07 -1.89 -3.32 117.51 112.83 1s1m h ILE 340 Ca 0.00 -2.91 0.00 0.00 1.55 0.00 0.00 64.86 63.50 1s1m h ILE 340 Cb 0.03 2.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 1s1m h ILE 340 CO 0.00 0.69 0.00 -0.07 -1.05 0.00 0.00 178.15 177.72 1s1m h LEU 341 N 0.01 0.00 -9.64 0.16 3.38 -1.78 -3.46 115.31 103.98 1s1m h LEU 341 Ca -0.21 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.24 1s1m h LEU 341 Cb 1.94 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.71 1s1m h LEU 341 CO 0.11 0.00 0.56 -0.54 0.09 0.00 0.00 178.44 178.65 1s1m s LYS 342 N -3.24 4.49 0.00 1.13 -0.14 -1.22 -3.07 119.74 117.69 1s1m s LYS 342 Ca 0.07 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 56.54 1s1m s LYS 342 Cb 0.10 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1s1m s LYS 342 CO 0.56 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.46 1s1m n GLY 343 N 2.30 1.05 3.69 -3.33 0.00 -1.26 -5.07 105.19 102.57 1s1m n GLY 343 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1s1m n GLY 343 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1m s LEU 344 N 0.00 4.17 0.20 0.99 1.43 -1.17 -4.89 118.68 119.40 1s1m s LEU 344 Ca 0.00 0.27 0.24 0.00 -1.03 0.00 0.00 54.13 53.61 1s1m s LEU 344 Cb 0.00 -2.21 0.91 0.00 0.03 0.00 0.00 46.19 44.92 1s1m s LEU 344 CO 0.00 0.08 1.73 0.47 0.23 0.00 0.00 176.35 178.85 1s1m n ASP 345 N 4.02 0.62 -3.58 2.29 8.00 0.50 -4.85 116.55 123.55 1s1m n ASP 345 Ca -0.14 0.61 -0.08 0.00 0.71 0.00 0.00 54.79 55.89 1s1m n ASP 345 Cb 0.52 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 1s1m n ASP 345 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1m s ALA 346 N -3.19 -1.63 -0.02 2.24 0.00 -1.21 -4.38 121.76 113.57 1s1m s ALA 346 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1s1m s ALA 346 Cb 0.11 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1s1m s ALA 346 CO 0.46 -0.83 0.01 0.42 0.00 0.00 0.00 175.76 175.82 1s1m s ILE 347 N -3.48 0.06 -0.07 0.00 1.01 0.58 -0.81 121.20 118.50 1s1m s ILE 347 Ca 0.06 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1s1m s ILE 347 Cb -0.02 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.28 1s1m s ILE 347 CO -0.06 0.11 -0.22 -0.22 0.00 0.00 0.00 174.94 174.55 1s1m s LEU 348 N 0.93 2.02 -0.27 2.97 0.20 0.12 -0.41 118.68 124.24 1s1m s LEU 348 Ca -0.09 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.28 1s1m s LEU 348 Cb -0.12 -1.27 0.06 0.00 -0.43 0.00 0.00 46.19 44.44 1s1m s LEU 348 CO -0.02 0.19 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.45 1s1m s VAL 349 N 0.07 2.24 0.00 1.68 1.01 -0.43 -0.38 120.40 124.60 1s1m s VAL 349 Ca -0.09 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1s1m s VAL 349 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1s1m s VAL 349 CO 0.05 -0.08 0.00 -2.65 0.00 0.00 0.00 175.10 172.42 1s1m n PRO 350 N 4.43 0.25 -2.33 2.72 -0.02 -1.26 -0.32 135.00 138.47 1s1m n PRO 350 Ca -0.13 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.18 1s1m n PRO 350 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.98 1s1m n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s1m n GLY 351 N 4.05 1.20 0.00 -1.23 0.00 -1.17 -2.47 105.19 105.57 1s1m n GLY 351 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1s1m n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1m n GLY 352 N -0.91 -1.62 3.04 -0.02 0.00 -1.26 -4.86 105.19 99.55 1s1m n GLY 352 Ca 0.13 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1s1m n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1m s PHE 353 N -1.69 0.13 0.00 1.61 0.40 -1.26 -4.70 117.98 112.46 1s1m s PHE 353 Ca 0.00 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1s1m s PHE 353 Cb 0.00 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.42 1s1m s PHE 353 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 1s1m n GLY 354 N 1.62 -0.23 0.00 4.36 0.00 -1.26 -4.79 105.19 104.90 1s1m n GLY 354 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1s1m n GLY 354 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s1m n TYR 355 N 0.00 0.00 0.00 1.61 9.36 -1.26 -4.43 117.16 122.44 1s1m n TYR 355 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1s1m n TYR 355 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1s1m n TYR 355 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1s1m n ARG 356 N 0.00 0.00 0.00 2.98 0.63 -1.26 -3.17 116.66 115.84 1s1m n ARG 356 Ca 0.00 0.02 0.14 0.00 -0.92 0.00 0.00 57.85 57.09 1s1m n ARG 356 Cb 0.00 -0.53 0.72 0.00 0.45 0.00 0.00 32.46 33.10 1s1m n ARG 356 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s1m n GLY 357 N -0.05 -1.19 0.25 5.14 0.00 -1.26 -4.39 105.19 103.69 1s1m n GLY 357 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.06 1s1m n GLY 357 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s1m n VAL 358 N -1.27 -0.32 -0.25 1.61 0.31 -1.19 -1.12 118.33 116.11 1s1m n VAL 358 Ca 0.14 1.61 -0.06 0.00 -0.01 0.00 0.00 64.34 66.02 1s1m n VAL 358 Cb 0.22 -2.48 0.05 0.00 -0.91 0.00 0.00 33.84 30.71 1s1m n VAL 358 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1s1m h GLU 359 N 0.00 0.95 0.00 5.55 4.39 -1.77 -2.14 114.58 121.56 1s1m h GLU 359 Ca 0.56 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 1s1m h GLU 359 Cb 1.34 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1s1m h GLU 359 CO -0.65 0.72 -0.11 0.78 -1.16 0.00 0.00 179.01 178.59 1s1m h GLY 360 N 0.93 0.00 0.61 -3.84 0.00 -1.19 -1.97 103.07 97.61 1s1m h GLY 360 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1s1m h GLY 360 CO -0.04 0.00 -0.10 -0.33 0.00 0.00 0.00 176.54 176.07 1s1m h MET 361 N 0.00 -0.27 -0.86 4.80 2.86 -1.41 0.82 114.93 120.88 1s1m h MET 361 Ca -0.00 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.85 1s1m h MET 361 Cb 0.20 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.80 1s1m h MET 361 CO 0.01 0.08 0.35 0.82 1.06 0.00 0.00 176.91 179.24 1s1m h ILE 362 N -0.68 0.52 0.76 -1.22 5.03 -0.96 0.26 117.51 121.23 1s1m h ILE 362 Ca -0.03 -0.14 -0.03 0.00 -0.12 0.00 0.00 64.86 64.54 1s1m h ILE 362 Cb 0.48 0.08 -0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1s1m h ILE 362 CO 0.05 0.07 -0.46 0.74 -0.68 0.00 0.00 178.15 177.87 1s1m h THR 363 N 0.40 0.00 -0.79 -0.27 2.02 -1.17 -2.20 112.91 110.90 1s1m h THR 363 Ca 0.51 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.87 1s1m h THR 363 Cb 0.93 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.19 1s1m h THR 363 CO -0.50 0.00 -0.08 0.74 0.37 0.00 0.00 175.52 176.05 1s1m h THR 364 N -1.14 0.26 -1.00 3.16 2.02 0.10 0.29 112.91 116.60 1s1m h THR 364 Ca -0.10 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.17 1s1m h THR 364 Cb 0.91 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 1s1m h THR 364 CO 0.11 0.01 0.63 0.00 0.37 0.00 0.00 175.52 176.64 1s1m h ALA 365 N 1.77 1.52 -0.27 6.16 0.00 -0.33 0.11 119.26 128.22 1s1m h ALA 365 Ca 0.42 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 1s1m h ALA 365 Cb 0.71 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1s1m h ALA 365 CO -0.75 0.24 -0.23 -0.09 0.00 0.00 0.00 179.25 178.42 1s1m h ARG 366 N 1.01 0.63 -0.11 0.00 2.43 0.06 -0.85 114.38 117.55 1s1m h ARG 366 Ca 0.49 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1s1m h ARG 366 Cb 0.46 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1s1m h ARG 366 CO -0.25 0.92 0.06 0.35 -1.51 0.00 0.00 179.97 179.54 1s1m h PHE 367 N 0.35 0.14 0.18 2.20 3.57 -0.06 0.47 116.94 123.78 1s1m h PHE 367 Ca 0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1s1m h PHE 367 Cb 0.79 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1s1m h PHE 367 CO 0.07 0.16 -0.18 0.00 -2.23 0.00 0.00 178.31 176.13 1s1m h ALA 368 N 0.97 -0.36 0.34 2.41 0.00 -0.75 0.42 119.26 122.29 1s1m h ALA 368 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s1m h ALA 368 Cb 0.06 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s1m h ALA 368 CO -0.01 -0.73 -0.33 -0.09 0.00 0.00 0.00 179.25 178.10 1s1m h ARG 369 N -0.39 -0.67 -0.16 0.00 2.43 -0.99 0.44 114.38 115.04 1s1m h ARG 369 Ca 0.00 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1s1m h ARG 369 Cb 0.37 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1s1m h ARG 369 CO -0.05 -0.44 -0.16 0.93 -1.51 0.00 0.00 179.97 178.73 1s1m h GLU 370 N -0.69 0.26 -0.68 0.20 5.08 0.02 -2.52 114.58 116.25 1s1m h GLU 370 Ca -0.02 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1s1m h GLU 370 Cb 0.62 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 1s1m h GLU 370 CO -0.06 0.43 0.22 0.09 -1.00 0.00 0.00 179.01 178.69 1s1m n ASN 371 N -4.24 4.72 -4.30 1.42 5.03 0.15 -4.89 115.26 113.15 1s1m n ASN 371 Ca -0.01 -3.22 -0.38 0.00 0.87 0.00 0.00 54.58 51.84 1s1m n ASN 371 Cb 0.30 -0.72 -0.04 0.00 -1.02 0.00 0.00 39.78 38.30 1s1m n ASN 371 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1s1m n ASN 372 N -0.19 -2.93 -4.68 6.41 3.02 -0.70 -4.92 115.26 111.27 1s1m n ASN 372 Ca 0.38 -1.07 -0.37 0.00 -0.03 0.00 0.00 54.58 53.50 1s1m n ASN 372 Cb 1.33 -2.49 -0.08 0.00 -0.61 0.00 0.00 39.78 37.93 1s1m n ASN 372 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s1m s ILE 373 N -3.29 5.29 0.06 2.41 1.01 0.15 -4.64 121.20 122.19 1s1m s ILE 373 Ca 0.76 0.46 -0.35 0.00 0.00 0.00 0.00 60.65 61.51 1s1m s ILE 373 Cb -0.42 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.29 1s1m s ILE 373 CO 0.95 0.33 1.57 -2.65 0.00 0.00 0.00 174.94 175.14 1s1m n PRO 374 N 4.13 1.79 -4.51 2.79 -0.02 -1.26 -4.39 135.00 133.54 1s1m n PRO 374 Ca -0.12 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.80 1s1m n PRO 374 Cb 0.52 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1s1m n PRO 374 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1s1m s TYR 375 N 1.50 1.03 -0.05 6.00 5.04 0.05 -0.30 117.35 130.61 1s1m s TYR 375 Ca 0.84 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1s1m s TYR 375 Cb -0.79 -0.67 0.02 0.00 0.35 0.00 0.00 41.96 40.88 1s1m s TYR 375 CO 0.45 -0.02 -0.03 -1.17 -1.34 0.00 0.00 175.55 173.44 1s1m s LEU 376 N -0.25 1.09 -0.08 6.97 2.96 0.45 -2.22 118.68 127.60 1s1m s LEU 376 Ca 0.04 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1s1m s LEU 376 Cb -0.05 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.20 1s1m s LEU 376 CO -0.00 -0.10 -0.18 -0.83 -1.32 0.00 0.00 176.35 173.91 1s1m s GLY 377 N 1.26 1.05 -0.24 7.98 0.00 -0.97 -1.31 107.32 115.09 1s1m s GLY 377 Ca -0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.91 1s1m s GLY 377 CO -0.02 -0.13 0.04 -0.42 0.00 0.00 0.00 173.10 172.57 1s1m s ILE 378 N 0.47 3.99 0.00 0.90 -1.09 0.56 -1.21 121.20 124.82 1s1m s ILE 378 Ca -0.16 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1s1m s ILE 378 Cb -0.17 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1s1m s ILE 378 CO 0.06 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.12 1s1m n LEU 380 N 0.00 -0.48 0.15 0.00 7.94 -1.26 0.23 117.00 123.57 1s1m n LEU 380 Ca 0.00 1.69 0.19 0.00 -1.11 0.00 0.00 56.01 56.78 1s1m n LEU 380 Cb 0.00 -0.45 0.78 0.00 0.53 0.00 0.00 43.42 44.28 1s1m n LEU 380 CO 0.00 -1.57 1.17 1.23 -1.11 0.00 0.00 177.39 177.10 1s1m h GLY 381 N 0.00 0.00 0.03 -3.96 0.00 -0.99 0.73 103.07 98.88 1s1m h GLY 381 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1s1m h GLY 381 CO -0.99 0.00 -0.00 1.98 0.00 0.00 0.00 176.54 177.53 1s1m h MET 382 N 0.00 -0.01 -0.16 4.80 1.85 0.27 -3.22 114.93 118.46 1s1m h MET 382 Ca 0.14 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.26 1s1m h MET 382 Cb 0.83 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.80 1s1m h MET 382 CO -0.00 0.78 -0.48 1.96 -0.40 0.00 0.00 176.91 178.76 1s1m h GLN 383 N -0.98 -0.47 0.00 0.39 4.20 0.88 1.27 115.11 120.40 1s1m h GLN 383 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1s1m h GLN 383 Cb 0.79 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1s1m h GLN 383 CO 0.00 -0.31 0.27 -0.39 -0.67 0.00 0.00 178.83 177.72 1s1m h VAL 384 N -0.49 0.00 0.03 -0.54 -1.51 0.23 0.26 116.25 114.23 1s1m h VAL 384 Ca 0.03 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.18 1s1m h VAL 384 Cb 0.59 0.38 -0.04 0.00 -2.13 0.00 0.00 31.29 30.08 1s1m h VAL 384 CO -0.41 0.00 -1.85 0.00 -1.23 0.00 0.00 177.57 174.08 1s1m n ALA 385 N -1.65 1.33 -0.27 5.19 0.00 0.39 -3.23 120.51 122.28 1s1m n ALA 385 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 1s1m n ALA 385 Cb 0.29 -0.75 0.06 0.00 0.00 0.00 0.00 19.45 19.06 1s1m n ALA 385 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s1m h LEU 386 N 0.02 0.87 0.00 0.00 5.85 0.32 -3.18 115.31 119.19 1s1m h LEU 386 Ca -0.35 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1s1m h LEU 386 Cb 2.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1s1m h LEU 386 CO 0.07 0.65 0.00 -0.38 -0.34 0.00 0.00 178.44 178.44 1s1m n ILE 387 N -4.55 0.00 -0.05 4.05 5.41 -0.76 -0.99 119.36 122.48 1s1m n ILE 387 Ca 0.07 0.90 0.02 0.00 1.00 0.00 0.00 62.75 64.73 1s1m n ILE 387 Cb 0.03 -1.84 0.03 0.00 -0.71 0.00 0.00 39.64 37.16 1s1m n ILE 387 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s1m n ASP 388 N -0.45 -0.03 0.27 4.38 -0.08 -1.20 0.42 116.55 119.86 1s1m n ASP 388 Ca 0.00 0.24 -0.13 0.00 -1.51 0.00 0.00 54.79 53.39 1s1m n ASP 388 Cb 0.00 -0.08 -0.07 0.00 2.34 0.00 0.00 41.12 43.31 1s1m n ASP 388 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1s1m h TYR 389 N 0.00 -0.67 -0.94 -0.67 3.20 -1.54 1.24 116.97 117.60 1s1m h TYR 389 Ca 0.08 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.07 1s1m h TYR 389 Cb 0.15 0.22 -0.14 0.00 1.54 0.00 0.00 36.73 38.50 1s1m h TYR 389 CO -0.09 -0.36 -0.43 0.00 -1.64 0.00 0.00 178.16 175.64 1s1m h ALA 390 N -0.97 -0.04 -3.00 1.82 0.00 1.01 2.03 119.26 120.11 1s1m h ALA 390 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s1m h ALA 390 Cb 0.60 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1s1m h ALA 390 CO 0.12 -0.72 0.00 0.54 0.00 0.00 0.00 179.25 179.19 1s1m n ARG 391 N -5.42 0.00 0.10 0.00 1.74 0.14 -2.64 116.66 110.58 1s1m n ARG 391 Ca 0.07 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 1s1m n ARG 391 Cb 0.36 -0.66 0.33 0.00 -1.02 0.00 0.00 32.46 31.48 1s1m n ARG 391 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1s1m n HIS 392 N -0.17 0.41 -0.29 -1.55 8.25 0.43 -2.92 115.22 119.38 1s1m n HIS 392 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1s1m n HIS 392 Cb 0.00 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.29 1s1m n HIS 392 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1s1m n VAL 393 N -1.92 0.42 -2.75 1.59 0.31 0.68 -4.98 118.33 111.69 1s1m n VAL 393 Ca -0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1s1m n VAL 393 Cb 0.05 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 1s1m n VAL 393 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1m n ALA 394 N -0.21 0.00 -0.17 3.52 0.00 -1.01 -4.74 120.51 117.90 1s1m n ALA 394 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s1m n ALA 394 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1s1m n ALA 394 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s1m n ASN 395 N 0.00 0.00 -1.95 0.00 6.94 -1.24 -4.75 115.26 114.25 1s1m n ASN 395 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 1s1m n ASN 395 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1s1m n ASN 395 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1s1m n MET 396 N -1.74 -0.60 0.00 -3.83 2.81 -1.23 -4.62 117.12 107.90 1s1m n MET 396 Ca 0.00 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1s1m n MET 396 Cb 0.00 0.40 0.00 0.00 -0.71 0.00 0.00 33.22 32.91 1s1m n MET 396 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s1m n GLU 397 N -0.54 0.00 -1.00 0.03 1.02 -1.26 -0.77 120.64 118.11 1s1m n GLU 397 Ca 0.00 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 1s1m n GLU 397 Cb 0.00 -0.12 0.19 0.00 -0.02 0.00 0.00 31.44 31.49 1s1m n GLU 397 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s1m n ASN 398 N -0.67 3.03 0.00 1.62 3.02 -1.26 -4.79 115.26 116.21 1s1m n ASN 398 Ca 0.00 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1s1m n ASN 398 Cb 0.00 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1s1m n ASN 398 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1m n ALA 399 N -1.13 -0.41 -3.82 5.41 0.00 0.05 -4.89 120.51 115.72 1s1m n ALA 399 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.92 1s1m n ALA 399 Cb 1.29 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.76 1s1m n ALA 399 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1s1m n ASN 400 N 0.00 -1.97 -4.32 0.00 2.85 -0.08 -4.91 115.26 106.84 1s1m n ASN 400 Ca 0.00 -2.22 -0.31 0.00 -0.11 0.00 0.00 54.58 51.94 1s1m n ASN 400 Cb 0.00 3.24 -0.16 0.00 1.24 0.00 0.00 39.78 44.11 1s1m n ASN 400 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1s1m s SER 401 N -3.18 3.10 0.00 1.20 0.15 -1.25 -1.15 113.70 112.56 1s1m s SER 401 Ca 0.19 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1s1m s SER 401 Cb -0.04 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1s1m s SER 401 CO 0.09 0.32 0.73 0.35 1.20 0.00 0.00 173.24 175.93 1s1m n THR 402 N 2.44 1.03 0.18 6.45 -2.24 -0.88 -0.83 114.28 120.42 1s1m n THR 402 Ca -0.16 0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 1s1m n THR 402 Cb 0.51 -1.29 0.30 0.00 -2.10 0.00 0.00 70.33 67.75 1s1m n THR 402 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1s1m h GLU 403 N 0.00 0.00 0.00 -0.78 4.81 -1.92 -3.25 114.58 113.44 1s1m h GLU 403 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1s1m h GLU 403 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1s1m h GLU 403 CO 0.00 0.40 -1.67 1.19 -0.73 0.00 0.00 179.01 178.20 1s1m n PHE 404 N -3.49 0.00 -3.46 0.92 3.01 -0.01 -4.80 117.46 109.62 1s1m n PHE 404 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 1s1m n PHE 404 Cb 0.54 -0.45 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 1s1m n PHE 404 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1s1m s VAL 405 N -2.23 0.63 0.48 -4.37 1.01 -0.52 -4.98 120.40 110.42 1s1m s VAL 405 Ca -0.16 -2.74 0.35 0.00 0.00 0.00 0.00 61.98 59.43 1s1m s VAL 405 Cb 0.04 -1.44 0.55 0.00 0.00 0.00 0.00 36.38 35.53 1s1m s VAL 405 CO 0.26 -1.18 1.64 -0.65 0.00 0.00 0.00 175.10 175.17 1s1m h PRO 406 N 5.77 0.07 -3.15 2.72 0.11 -1.79 -3.01 132.00 132.72 1s1m h PRO 406 Ca 0.23 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.71 1s1m h PRO 406 Cb 0.90 -0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.58 1s1m h PRO 406 CO 0.40 0.05 -0.63 0.16 -0.21 0.00 0.00 178.00 177.76 1s1m s ASP 407 N -4.46 4.32 0.16 -2.05 1.47 -1.26 -4.84 116.67 110.00 1s1m s ASP 407 Ca -0.07 -3.34 0.10 0.00 1.18 0.00 0.00 52.55 50.42 1s1m s ASP 407 Cb 0.28 -1.51 -0.04 0.00 -0.34 0.00 0.00 42.92 41.31 1s1m s ASP 407 CO 0.84 -0.17 -0.19 0.00 0.68 0.00 0.00 175.17 176.33 1s1m h LYS 409 N 3.37 0.58 -3.51 0.00 3.64 -1.92 -3.36 116.57 115.38 1s1m h LYS 409 Ca -0.48 -0.15 -0.73 0.00 -1.27 0.00 0.00 60.65 58.02 1s1m h LYS 409 Cb 1.19 -0.07 -0.33 0.00 -0.41 0.00 0.00 32.23 32.61 1s1m h LYS 409 CO 0.48 0.64 -0.07 0.71 -2.27 0.00 0.00 179.45 178.94 1s1m s TYR 410 N -5.26 3.78 -1.23 1.91 4.12 -1.26 -4.06 117.35 115.36 1s1m s TYR 410 Ca -0.13 -2.72 -0.11 0.00 0.02 0.00 0.00 57.07 54.13 1s1m s TYR 410 Cb 0.09 -3.41 0.19 0.00 -1.52 0.00 0.00 41.96 37.31 1s1m s TYR 410 CO 0.76 -0.84 1.62 -0.35 0.02 0.00 0.00 175.55 176.77 1s1m n PRO 411 N 2.98 3.58 0.26 -1.71 -0.04 -1.25 -0.90 135.00 137.92 1s1m n PRO 411 Ca 0.17 -3.79 0.13 0.00 -0.04 0.00 0.00 63.50 59.97 1s1m n PRO 411 Cb 0.39 -2.92 0.73 0.00 -0.04 0.00 0.00 33.50 31.66 1s1m n PRO 411 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1s1m h VAL 412 N 4.08 0.50 -3.34 0.52 3.04 -1.51 -3.41 116.25 116.14 1s1m h VAL 412 Ca 0.34 -0.56 -0.57 0.00 -1.01 0.00 0.00 66.70 64.90 1s1m h VAL 412 Cb 0.74 1.37 -0.34 0.00 -2.01 0.00 0.00 31.29 31.05 1s1m h VAL 412 CO 1.41 0.11 -0.83 -0.69 -1.01 0.00 0.00 177.57 176.56 1s1m s VAL 413 N -4.11 1.45 0.00 1.51 1.01 -1.20 0.97 120.40 120.03 1s1m s VAL 413 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1s1m s VAL 413 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1s1m s VAL 413 CO 0.58 0.43 0.00 0.00 0.00 0.00 0.00 175.10 176.11 1s1m n ALA 414 N 3.93 0.00 -1.51 5.51 0.00 0.61 -2.08 120.51 126.97 1s1m n ALA 414 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.78 1s1m n ALA 414 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1s1m n ALA 414 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s1m n LEU 415 N 0.00 0.51 -0.14 0.00 4.77 -1.26 -3.12 117.00 117.75 1s1m n LEU 415 Ca 0.00 1.13 0.09 0.00 -0.03 0.00 0.00 56.01 57.21 1s1m n LEU 415 Cb 0.00 -1.15 0.42 0.00 -2.33 0.00 0.00 43.42 40.36 1s1m n LEU 415 CO 0.00 -2.12 1.20 0.40 -1.33 0.00 0.00 177.39 175.54 1s1m h ILE 416 N 1.51 0.96 0.00 -0.08 2.04 -1.90 0.18 117.51 120.21 1s1m h ILE 416 Ca -0.35 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1s1m h ILE 416 Cb 1.38 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1s1m h ILE 416 CO 0.58 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.84 1s1m h THR 417 N 0.59 0.00 -0.12 -0.27 1.03 -1.98 -2.69 112.91 109.48 1s1m h THR 417 Ca 0.30 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 1s1m h THR 417 Cb 0.40 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 1s1m h THR 417 CO -0.10 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 174.79 1s1m n GLU 418 N -2.79 2.31 -1.63 0.00 1.02 0.61 -4.99 120.64 115.18 1s1m n GLU 418 Ca 0.01 -1.93 -0.42 0.00 -0.02 0.00 0.00 57.16 54.80 1s1m n GLU 418 Cb 0.26 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1s1m n GLU 418 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1s1m s TRP 419 N -1.88 1.20 0.31 -0.32 0.51 -1.02 -4.91 118.94 112.82 1s1m s TRP 419 Ca 0.31 0.66 0.04 0.00 -2.12 0.00 0.00 56.10 55.00 1s1m s TRP 419 Cb 0.21 -3.90 -0.06 0.00 -0.81 0.00 0.00 33.47 28.90 1s1m s TRP 419 CO 0.31 -3.83 0.04 -0.98 -0.51 0.00 0.00 176.95 171.98 1s1m s ARG 420 N 6.53 1.59 0.78 4.98 1.70 -1.25 -4.30 118.95 128.98 1s1m s ARG 420 Ca 0.99 -1.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.32 1s1m s ARG 420 Cb -0.30 -0.83 0.13 0.00 -0.57 0.00 0.00 34.95 33.38 1s1m s ARG 420 CO 0.34 -0.16 1.08 0.34 -1.08 0.00 0.00 175.30 175.81 1s1m s ASP 421 N -3.45 4.17 0.43 -2.89 2.15 0.49 -4.78 116.67 112.79 1s1m s ASP 421 Ca 0.35 0.03 0.21 0.00 0.43 0.00 0.00 52.55 53.58 1s1m s ASP 421 Cb 0.08 -0.41 0.96 0.00 -0.30 0.00 0.00 42.92 43.24 1s1m s ASP 421 CO 0.14 -2.00 1.87 1.05 -0.17 0.00 0.00 175.17 176.06 1s1m h GLU 422 N -0.83 0.00 -0.63 4.34 9.09 -1.90 0.14 114.58 124.80 1s1m h GLU 422 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1s1m h GLU 422 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1s1m h GLU 422 CO 0.45 0.27 0.00 0.09 0.05 0.00 0.00 179.01 179.87 1s1m n ASN 423 N -3.64 5.12 -0.19 3.06 3.02 -1.26 -4.86 115.26 116.51 1s1m n ASN 423 Ca -0.01 -2.71 -0.02 0.00 -0.03 0.00 0.00 54.58 51.80 1s1m n ASN 423 Cb 0.40 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 1s1m n ASN 423 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1m n GLY 424 N 0.76 0.40 3.65 7.41 0.00 0.48 -4.98 105.19 112.92 1s1m n GLY 424 Ca 0.25 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1s1m n GLY 424 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1m s ASN 425 N -2.15 2.69 0.28 1.61 0.01 -1.26 -4.18 114.94 111.94 1s1m s ASN 425 Ca 0.00 1.55 0.02 0.00 -0.71 0.00 0.00 52.86 53.72 1s1m s ASN 425 Cb 0.00 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 1s1m s ASN 425 CO 0.00 -3.14 0.28 -0.69 -1.51 0.00 0.00 177.10 172.04 1s1m s VAL 426 N -2.79 0.00 0.17 1.60 1.01 -1.26 0.19 120.40 119.32 1s1m s VAL 426 Ca 0.65 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1s1m s VAL 426 Cb -0.20 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1s1m s VAL 426 CO 0.59 0.00 0.34 -1.61 0.00 0.00 0.00 175.10 174.42 1s1m s GLU 427 N -3.65 3.49 0.16 2.72 2.02 -1.26 -5.01 118.70 117.17 1s1m s GLU 427 Ca 0.37 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.95 1s1m s GLU 427 Cb 0.03 -2.90 0.42 0.00 0.10 0.00 0.00 34.13 31.79 1s1m s GLU 427 CO 0.20 0.46 0.78 1.33 0.02 0.00 0.00 175.26 178.05 1s1m n VAL 428 N -0.53 -0.21 -0.27 2.63 0.24 -1.26 -5.18 118.33 113.75 1s1m n VAL 428 Ca -0.05 1.08 0.00 0.00 -2.04 0.00 0.00 64.34 63.33 1s1m n VAL 428 Cb 0.54 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1s1m n VAL 428 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1s1m n THR 438 N -4.51 0.00 -3.07 3.34 -2.24 -1.26 -5.28 114.28 101.27 1s1m n THR 438 Ca 0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 1s1m n THR 438 Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1s1m n THR 438 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1s1m s MET 439 N 0.00 3.89 -0.40 -0.78 1.75 -1.26 -4.19 119.30 118.31 1s1m s MET 439 Ca 0.00 0.35 -0.21 0.00 -1.25 0.00 0.00 55.69 54.58 1s1m s MET 439 Cb 0.00 -3.74 0.01 0.00 2.84 0.00 0.00 34.83 33.95 1s1m s MET 439 CO 0.00 -0.62 0.64 1.03 -0.65 0.00 0.00 175.02 175.42 1s1m s ARG 440 N 2.72 3.47 -0.05 4.11 0.52 0.27 -4.93 118.95 125.07 1s1m s ARG 440 Ca 0.27 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1s1m s ARG 440 Cb -0.15 -3.88 0.01 0.00 0.52 0.00 0.00 34.95 31.45 1s1m s ARG 440 CO 0.12 -0.88 -0.12 -0.51 0.02 0.00 0.00 175.30 173.94 1s1m s LEU 441 N 2.77 1.70 0.00 2.53 1.43 -1.25 -1.01 118.68 124.85 1s1m s LEU 441 Ca 0.23 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1s1m s LEU 441 Cb -0.14 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1s1m s LEU 441 CO 0.17 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1s1m n GLY 442 N 3.61 -3.26 3.74 -3.19 0.00 0.09 -4.28 105.19 101.89 1s1m n GLY 442 Ca -0.21 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 1s1m n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m s ALA 443 N -1.18 3.57 -0.13 4.61 0.00 0.37 0.03 121.76 129.03 1s1m s ALA 443 Ca 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 1s1m s ALA 443 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1s1m s ALA 443 CO 0.00 -0.61 0.32 -1.14 0.00 0.00 0.00 175.76 174.33 1s1m s GLN 444 N -0.02 0.33 0.56 0.00 0.74 0.47 -4.92 119.66 116.82 1s1m s GLN 444 Ca 0.59 0.56 -0.21 0.00 0.05 0.00 0.00 55.36 56.35 1s1m s GLN 444 Cb -0.38 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 1s1m s GLN 444 CO 0.39 -0.11 1.31 -1.14 -0.55 0.00 0.00 175.29 175.19 1s1m s GLN 445 N 0.82 3.07 -0.16 1.67 0.74 -1.26 -1.63 119.66 122.91 1s1m s GLN 445 Ca -0.05 2.11 -0.09 0.00 0.05 0.00 0.00 55.36 57.38 1s1m s GLN 445 Cb -0.06 -2.16 0.06 0.00 1.10 0.00 0.00 33.01 31.94 1s1m s GLN 445 CO -0.06 -1.21 0.39 0.00 -0.55 0.00 0.00 175.29 173.86 1s1m s GLN 447 N 1.29 4.06 0.03 0.00 1.11 -0.03 -0.67 119.66 125.45 1s1m s GLN 447 Ca -0.09 0.28 -0.14 0.00 0.01 0.00 0.00 55.36 55.42 1s1m s GLN 447 Cb -0.08 -3.65 -0.06 0.00 -1.01 0.00 0.00 33.01 28.21 1s1m s GLN 447 CO -0.11 -0.33 0.44 -0.51 0.01 0.00 0.00 175.29 174.78 1s1m s LEU 448 N 2.25 4.45 -0.15 2.90 1.43 0.87 -0.73 118.68 129.69 1s1m s LEU 448 Ca 0.20 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 1s1m s LEU 448 Cb -0.16 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1s1m s LEU 448 CO 0.09 0.28 1.33 -0.69 0.23 0.00 0.00 176.35 177.58 1s1m s VAL 449 N -1.17 4.17 0.23 -1.59 1.01 0.28 -4.90 120.40 118.44 1s1m s VAL 449 Ca 0.27 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1s1m s VAL 449 Cb -0.16 -3.92 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 1s1m s VAL 449 CO 0.15 -0.14 0.93 0.47 0.00 0.00 0.00 175.10 176.51 1s1m n ASP 450 N 6.75 0.64 -0.00 3.32 8.00 -1.26 -0.67 116.55 133.32 1s1m n ASP 450 Ca 0.14 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.80 1s1m n ASP 450 Cb 0.45 -1.18 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1s1m n ASP 450 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s1m n ASP 451 N 1.60 -3.32 -4.95 -2.24 8.00 -1.26 -5.02 116.55 109.36 1s1m n ASP 451 Ca 0.13 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 1s1m n ASP 451 Cb 0.28 -0.83 -0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1s1m n ASP 451 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s1m s SER 452 N -2.03 6.14 0.11 -2.24 1.04 0.15 -5.00 113.70 111.88 1s1m s SER 452 Ca 0.00 0.36 -0.27 0.00 0.48 0.00 0.00 55.95 56.52 1s1m s SER 452 Cb 0.00 -1.84 -0.10 0.00 0.10 0.00 0.00 66.02 64.18 1s1m s SER 452 CO 0.00 -0.41 1.65 0.25 0.98 0.00 0.00 173.24 175.70 1s1m h LEU 453 N 0.67 -0.65 -1.90 2.42 5.85 -1.95 -2.27 115.31 117.48 1s1m h LEU 453 Ca -0.49 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1s1m h LEU 453 Cb 1.23 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 1s1m h LEU 453 CO 0.60 -0.33 0.02 -0.37 -0.34 0.00 0.00 178.44 178.01 1s1m h VAL 454 N -0.46 1.03 0.00 1.05 -1.51 -1.93 0.12 116.25 114.55 1s1m h VAL 454 Ca 0.02 -0.10 -0.06 0.00 -1.23 0.00 0.00 66.70 65.33 1s1m h VAL 454 Cb 0.46 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1s1m h VAL 454 CO -0.10 0.03 -0.28 -0.09 -1.23 0.00 0.00 177.57 175.90 1s1m h ARG 455 N 0.08 0.00 0.01 5.19 9.65 -1.69 0.57 114.38 128.19 1s1m h ARG 455 Ca 0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1s1m h ARG 455 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1s1m h ARG 455 CO -0.00 0.28 -0.00 0.37 2.80 0.00 0.00 179.97 183.41 1s1m h GLN 456 N 0.00 -0.01 -0.39 0.20 4.15 -0.79 -2.00 115.11 116.27 1s1m h GLN 456 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1s1m h GLN 456 Cb 0.53 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 1s1m h GLN 456 CO 0.04 0.44 -0.20 -0.07 -1.93 0.00 0.00 178.83 177.11 1s1m h LEU 457 N -1.00 -0.66 -0.99 -2.39 3.38 -0.67 -0.69 115.31 112.29 1s1m h LEU 457 Ca -0.00 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1s1m h LEU 457 Cb 0.46 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1s1m h LEU 457 CO 0.00 -0.23 -0.26 1.88 0.09 0.00 0.00 178.44 179.92 1s1m h TYR 458 N -0.13 0.00 -6.34 1.13 -1.99 -0.00 -3.46 116.97 106.18 1s1m h TYR 458 Ca 0.19 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.45 1s1m h TYR 458 Cb 0.42 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 1s1m h TYR 458 CO -0.43 0.26 -0.81 -1.71 -0.00 0.00 0.00 178.16 175.48 1s1m n ASN 459 N -3.40 -2.97 -3.57 3.88 5.15 -0.27 -4.95 115.26 109.14 1s1m n ASN 459 Ca 0.00 -0.86 -0.12 0.00 -0.60 0.00 0.00 54.58 53.00 1s1m n ASN 459 Cb 0.46 -3.65 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 1s1m n ASN 459 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s1m s ALA 460 N -3.50 -1.89 0.14 5.20 0.00 -1.21 -5.05 121.76 115.46 1s1m s ALA 460 Ca 0.40 1.55 -0.10 0.00 0.00 0.00 0.00 51.96 53.81 1s1m s ALA 460 Cb -0.21 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1s1m s ALA 460 CO 0.85 -0.32 1.45 -1.00 0.00 0.00 0.00 175.76 176.74 1s1m h PRO 461 N 2.86 0.87 -6.65 0.00 0.13 -1.91 -3.45 132.00 123.85 1s1m h PRO 461 Ca -0.22 -0.50 -0.69 0.00 -0.87 0.00 0.00 66.00 63.72 1s1m h PRO 461 Cb 1.16 0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1s1m h PRO 461 CO 0.31 1.14 -0.83 0.99 -0.23 0.00 0.00 178.00 179.39 1s1m s THR 462 N -4.24 2.59 0.15 1.56 2.01 -1.26 -0.09 115.64 116.36 1s1m s THR 462 Ca -0.10 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.58 1s1m s THR 462 Cb 0.11 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1s1m s THR 462 CO 0.88 0.31 0.09 0.27 -0.69 0.00 0.00 174.62 175.48 1s1m s ILE 463 N -0.92 0.07 -0.15 1.82 -4.36 0.15 -4.97 121.20 112.85 1s1m s ILE 463 Ca 0.14 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1s1m s ILE 463 Cb -0.10 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.46 1s1m s ILE 463 CO 0.05 -0.32 -0.11 -0.69 0.24 0.00 0.00 174.94 174.11 1s1m s VAL 464 N -4.08 1.39 0.31 8.37 1.01 -1.26 0.24 120.40 126.38 1s1m s VAL 464 Ca 0.28 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1s1m s VAL 464 Cb 0.07 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 1s1m s VAL 464 CO 0.05 0.38 0.04 -1.61 0.00 0.00 0.00 175.10 173.95 1s1m s GLU 465 N 1.55 1.62 -0.15 2.72 0.41 -0.65 -4.84 118.70 119.36 1s1m s GLU 465 Ca 0.04 -1.88 -0.06 0.00 -0.41 0.00 0.00 54.97 52.65 1s1m s GLU 465 Cb -0.13 -0.90 -0.04 0.00 -1.78 0.00 0.00 34.13 31.28 1s1m s GLU 465 CO -0.10 -0.15 0.07 1.03 -0.49 0.00 0.00 175.26 175.63 1s1m s ARG 466 N -3.86 3.68 0.22 1.61 0.52 -1.26 0.18 118.95 120.04 1s1m s ARG 466 Ca 0.35 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.33 1s1m s ARG 466 Cb 0.08 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1s1m s ARG 466 CO 0.15 0.47 0.08 -1.01 0.02 0.00 0.00 175.30 175.01 1s1m s HIS 467 N -0.19 2.94 -0.50 -0.53 3.76 0.10 -0.97 115.29 119.91 1s1m s HIS 467 Ca 0.08 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 1s1m s HIS 467 Cb -0.12 -1.36 0.22 0.00 1.11 0.00 0.00 32.58 32.43 1s1m s HIS 467 CO 0.01 0.54 0.83 -2.13 -0.85 0.00 0.00 174.74 173.14 1s1m n ARG 468 N -0.67 0.68 -3.53 1.40 3.00 -0.63 -0.73 116.66 116.18 1s1m n ARG 468 Ca -0.08 -1.85 -0.09 0.00 -0.00 0.00 0.00 57.85 55.84 1s1m n ARG 468 Cb 0.57 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.55 1s1m n ARG 468 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1s1m s HIS 469 N 0.77 -0.36 -0.03 -0.14 -3.43 -0.18 -4.98 115.29 106.94 1s1m s HIS 469 Ca 0.31 0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.73 1s1m s HIS 469 Cb 0.14 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 1s1m s HIS 469 CO -0.17 -0.70 -0.03 -2.13 -2.00 0.00 0.00 174.74 169.71 1s1m n ARG 470 N -0.32 0.06 -2.51 -0.38 0.63 -1.26 0.97 116.66 113.85 1s1m n ARG 470 Ca -0.10 0.02 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 1s1m n ARG 470 Cb 0.62 -0.78 -0.02 0.00 0.45 0.00 0.00 32.46 32.74 1s1m n ARG 470 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1s1m s TYR 471 N -2.05 2.90 0.37 -0.14 1.51 -1.26 -4.59 117.35 114.10 1s1m s TYR 471 Ca -0.04 1.03 0.07 0.00 -1.01 0.00 0.00 57.07 57.13 1s1m s TYR 471 Cb 0.01 -3.76 -0.01 0.00 -0.11 0.00 0.00 41.96 38.10 1s1m s TYR 471 CO 0.05 -1.31 0.44 -1.21 -1.11 0.00 0.00 175.55 172.41 1s1m s GLU 472 N 3.85 2.86 0.09 -0.62 0.41 -1.18 -4.76 118.70 119.34 1s1m s GLU 472 Ca 0.51 -1.22 -0.31 0.00 -0.41 0.00 0.00 54.97 53.54 1s1m s GLU 472 Cb -0.15 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.47 1s1m s GLU 472 CO 0.18 -0.06 1.29 0.08 -0.49 0.00 0.00 175.26 176.26 1s1m s VAL 473 N -2.30 3.68 -0.61 2.63 1.01 -1.26 -0.29 120.40 123.27 1s1m s VAL 473 Ca 0.47 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 1s1m s VAL 473 Cb -0.08 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1s1m s VAL 473 CO 0.30 0.10 1.67 0.21 0.00 0.00 0.00 175.10 177.38 1s1m s ASN 474 N 1.06 5.62 0.60 3.32 3.84 0.27 -4.79 114.94 124.86 1s1m s ASN 474 Ca 0.61 0.25 0.30 0.00 0.21 0.00 0.00 52.86 54.24 1s1m s ASN 474 Cb -0.33 -2.54 1.80 0.00 -0.55 0.00 0.00 41.25 39.63 1s1m s ASN 474 CO 0.30 -2.12 2.19 0.78 -2.79 0.00 0.00 177.10 175.46 1s1m h ASN 475 N 13.26 0.00 0.25 -4.21 2.35 -1.91 -1.02 115.58 124.30 1s1m h ASN 475 Ca -0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1s1m h ASN 475 Cb 1.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1s1m h ASN 475 CO 1.21 0.00 -0.22 0.24 -1.65 0.00 0.00 177.43 177.01 1s1m h MET 476 N 0.00 0.00 -0.29 0.81 2.86 -1.89 -2.87 114.93 113.55 1s1m h MET 476 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1s1m h MET 476 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1s1m h MET 476 CO -0.00 0.22 0.00 1.28 1.06 0.00 0.00 176.91 179.47 1s1m n LEU 477 N -4.19 3.26 0.00 1.22 4.77 -0.40 -4.83 117.00 116.83 1s1m n LEU 477 Ca -0.02 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 1s1m n LEU 477 Cb 0.29 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1s1m n LEU 477 CO 0.36 0.70 0.39 -0.11 -1.33 0.00 0.00 177.39 177.40 1s1m n LEU 478 N 0.02 0.05 -0.35 2.23 7.94 -1.08 -2.84 117.00 122.97 1s1m n LEU 478 Ca 0.15 0.86 0.23 0.00 -1.11 0.00 0.00 56.01 56.14 1s1m n LEU 478 Cb 0.61 -0.45 0.47 0.00 0.53 0.00 0.00 43.42 44.58 1s1m n LEU 478 CO 0.10 -0.45 1.16 0.11 -1.11 0.00 0.00 177.39 177.20 1s1m h LYS 479 N 0.00 0.38 -0.71 1.96 1.57 -1.88 1.54 116.57 119.43 1s1m h LYS 479 Ca 0.00 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1s1m h LYS 479 Cb 0.00 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.12 1s1m h LYS 479 CO 0.00 0.25 0.17 0.37 -0.57 0.00 0.00 179.45 179.67 1s1m h GLN 480 N 0.39 0.27 0.10 3.15 4.15 -1.90 0.14 115.11 121.40 1s1m h GLN 480 Ca 0.69 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.83 1s1m h GLN 480 Cb 1.61 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.25 1s1m h GLN 480 CO -0.50 0.18 -1.17 0.82 -1.93 0.00 0.00 178.83 176.23 1s1m h ILE 481 N 0.28 1.42 0.03 2.39 2.04 0.22 -3.24 117.51 120.64 1s1m h ILE 481 Ca 0.39 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1s1m h ILE 481 Cb 0.64 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 1s1m h ILE 481 CO -0.48 0.82 -0.16 -0.33 0.00 0.00 0.00 178.15 177.99 1s1m h GLU 482 N 0.16 -0.22 0.00 2.37 5.08 0.42 -0.46 114.58 121.93 1s1m h GLU 482 Ca -0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1s1m h GLU 482 Cb 1.86 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1s1m h GLU 482 CO 0.20 -0.14 0.33 -0.25 -1.00 0.00 0.00 179.01 178.15 1s1m n ASP 483 N -3.37 0.16 -0.06 1.42 8.00 0.38 0.41 116.55 123.50 1s1m n ASP 483 Ca -0.03 0.39 0.15 0.00 0.71 0.00 0.00 54.79 56.02 1s1m n ASP 483 Cb 0.12 -0.34 0.81 0.00 -0.02 0.00 0.00 41.12 41.69 1s1m n ASP 483 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1m n ALA 484 N -1.40 2.64 0.00 2.24 0.00 -0.19 -4.89 120.51 118.92 1s1m n ALA 484 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1s1m n ALA 484 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1s1m n ALA 484 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1m n GLY 485 N 1.13 2.13 3.50 0.00 0.00 1.38 -4.91 105.19 108.41 1s1m n GLY 485 Ca 0.20 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1s1m n GLY 485 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s1m n LEU 486 N 0.00 1.15 -4.11 0.99 7.94 -0.90 -4.61 117.00 117.46 1s1m n LEU 486 Ca 0.00 0.80 -0.23 0.00 -1.11 0.00 0.00 56.01 55.46 1s1m n LEU 486 Cb 0.00 -1.20 -0.15 0.00 0.53 0.00 0.00 43.42 42.59 1s1m n LEU 486 CO 0.00 -2.75 -0.48 -0.60 -1.11 0.00 0.00 177.39 172.45 1s1m s ARG 487 N -2.08 1.29 -0.37 1.96 3.52 -0.08 -4.36 118.95 118.83 1s1m s ARG 487 Ca 0.68 -0.52 -0.24 0.00 -0.13 0.00 0.00 55.73 55.52 1s1m s ARG 487 Cb -0.48 -1.21 0.01 0.00 -1.56 0.00 0.00 34.95 31.71 1s1m s ARG 487 CO 0.54 0.28 0.82 0.08 -0.81 0.00 0.00 175.30 176.21 1s1m s VAL 488 N -0.21 4.69 -0.07 7.11 1.01 -1.26 -0.22 120.40 131.46 1s1m s VAL 488 Ca 0.03 0.90 0.14 0.00 0.00 0.00 0.00 61.98 63.05 1s1m s VAL 488 Cb -0.07 -4.25 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 1s1m s VAL 488 CO 0.00 -0.49 0.63 0.00 0.00 0.00 0.00 175.10 175.24 1s1m n ALA 489 N 6.54 1.56 -3.48 5.51 0.00 0.69 -4.78 120.51 126.55 1s1m n ALA 489 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 52.53 1s1m n ALA 489 Cb 0.48 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 1s1m n ALA 489 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s1m s GLY 490 N -5.10 -0.48 0.26 0.00 0.00 -0.81 0.10 107.32 101.29 1s1m s GLY 490 Ca -0.05 1.27 0.01 0.00 0.00 0.00 0.00 44.72 45.96 1s1m s GLY 490 CO 0.82 0.96 0.09 0.50 0.00 0.00 0.00 173.10 175.48 1s1m s ARG 491 N -0.84 1.41 -0.29 2.90 0.52 0.09 -0.50 118.95 122.24 1s1m s ARG 491 Ca -0.09 -1.76 -0.00 0.00 -0.52 0.00 0.00 55.73 53.36 1s1m s ARG 491 Cb -0.02 -0.31 0.09 0.00 0.52 0.00 0.00 34.95 35.23 1s1m s ARG 491 CO 0.07 -0.27 0.06 0.45 0.02 0.00 0.00 175.30 175.62 1s1m s SER 492 N -3.32 3.96 0.80 0.23 0.15 0.50 -0.86 113.70 115.17 1s1m s SER 492 Ca 0.37 -1.53 -0.22 0.00 0.70 0.00 0.00 55.95 55.27 1s1m s SER 492 Cb 0.08 -0.99 -0.15 0.00 -1.71 0.00 0.00 66.02 63.25 1s1m s SER 492 CO 0.13 -0.37 -1.21 0.61 1.20 0.00 0.00 173.24 173.61 1s1m n GLY 493 N 4.76 -2.37 0.00 9.45 0.00 -1.26 -0.20 105.19 115.58 1s1m n GLY 493 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1s1m n GLY 493 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s1m n ASP 494 N 2.88 0.00 -0.24 1.61 5.75 -1.26 -3.92 116.55 121.37 1s1m n ASP 494 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1s1m n ASP 494 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1s1m n ASP 494 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1s1m n ASP 495 N 1.51 0.00 -2.71 -1.12 -0.08 -1.26 -5.02 116.55 107.87 1s1m n ASP 495 Ca 0.00 -1.24 -0.22 0.00 -1.51 0.00 0.00 54.79 51.82 1s1m n ASP 495 Cb 0.00 -0.05 0.02 0.00 2.34 0.00 0.00 41.12 43.43 1s1m n ASP 495 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s1m n GLN 496 N 0.00 -1.10 -3.25 -0.67 3.00 -1.16 -4.78 117.38 109.41 1s1m n GLN 496 Ca 0.00 0.75 -0.36 0.00 -0.01 0.00 0.00 57.00 57.38 1s1m n GLN 496 Cb 0.55 -1.23 -0.06 0.00 0.00 0.00 0.00 30.24 29.50 1s1m n GLN 496 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1s1m s LEU 497 N -2.07 4.36 -0.02 1.08 1.43 0.72 -4.77 118.68 119.42 1s1m s LEU 497 Ca 0.17 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.20 1s1m s LEU 497 Cb -0.02 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1s1m s LEU 497 CO 0.53 0.09 1.28 -0.69 0.23 0.00 0.00 176.35 177.80 1s1m s VAL 498 N -1.45 3.99 -0.13 -1.59 1.01 -1.26 -0.37 120.40 120.59 1s1m s VAL 498 Ca 0.39 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1s1m s VAL 498 Cb -0.16 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1s1m s VAL 498 CO 0.20 0.01 -0.11 -0.62 0.00 0.00 0.00 175.10 174.58 1s1m n GLU 499 N 5.13 0.35 -4.28 2.72 -0.58 0.35 -4.72 120.64 119.60 1s1m n GLU 499 Ca 0.12 0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.74 1s1m n GLU 499 Cb 0.45 -1.26 -0.15 0.00 -0.57 0.00 0.00 31.44 29.91 1s1m n GLU 499 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1s1m s ILE 500 N -2.26 0.62 0.14 -3.67 1.01 -0.56 0.27 121.20 116.75 1s1m s ILE 500 Ca -0.17 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1s1m s ILE 500 Cb 0.04 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1s1m s ILE 500 CO 0.30 0.20 -0.18 0.27 0.00 0.00 0.00 174.94 175.53 1s1m s ILE 501 N 0.15 1.67 -0.05 2.92 -4.36 0.46 -0.22 121.20 121.77 1s1m s ILE 501 Ca -0.02 -1.78 -0.06 0.00 -0.26 0.00 0.00 60.65 58.53 1s1m s ILE 501 Cb -0.07 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 41.96 1s1m s ILE 501 CO 0.00 -0.28 0.16 -1.61 0.24 0.00 0.00 174.94 173.45 1s1m s GLU 502 N -2.56 0.27 -0.41 0.37 2.02 0.70 -1.27 118.70 117.82 1s1m s GLU 502 Ca 0.12 0.07 -0.15 0.00 0.02 0.00 0.00 54.97 55.03 1s1m s GLU 502 Cb -0.07 0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.31 1s1m s GLU 502 CO 0.05 -0.05 0.33 0.08 0.02 0.00 0.00 175.26 175.69 1s1m s VAL 503 N -0.29 5.23 0.27 2.63 1.01 -1.10 -0.90 120.40 127.25 1s1m s VAL 503 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1s1m s VAL 503 Cb -0.03 -3.96 0.31 0.00 0.00 0.00 0.00 36.38 32.70 1s1m s VAL 503 CO 0.01 -0.34 1.63 1.55 0.00 0.00 0.00 175.10 177.95 1s1m h PRO 504 N 8.65 0.13 -2.03 2.72 0.13 -1.90 -3.25 132.00 136.46 1s1m h PRO 504 Ca -0.27 -0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 64.11 1s1m h PRO 504 Cb 1.12 -0.03 -0.30 0.00 0.13 0.00 0.00 31.00 31.92 1s1m h PRO 504 CO 0.75 0.09 0.69 0.09 -0.23 0.00 0.00 178.00 179.39 1s1m n ASN 505 N -5.31 6.88 -4.13 1.44 3.02 -1.26 -4.94 115.26 110.96 1s1m n ASN 505 Ca 0.18 -3.77 -0.10 0.00 -0.03 0.00 0.00 54.58 50.85 1s1m n ASN 505 Cb 0.59 -0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 1s1m n ASN 505 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s1m s HIS 506 N -4.03 0.77 0.13 3.10 2.46 -1.23 -5.03 115.29 111.46 1s1m s HIS 506 Ca 0.48 -0.86 -0.13 0.00 0.47 0.00 0.00 55.06 55.02 1s1m s HIS 506 Cb 0.35 -0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.31 1s1m s HIS 506 CO -0.29 -0.18 1.52 -1.00 -2.47 0.00 0.00 174.74 172.32 1s1m h PRO 507 N 3.31 0.85 -0.97 2.88 0.13 -1.90 -3.43 132.00 132.86 1s1m h PRO 507 Ca -0.35 -0.36 0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1s1m h PRO 507 Cb 1.17 -0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.06 1s1m h PRO 507 CO 0.60 1.00 -0.38 -0.46 -0.23 0.00 0.00 178.00 178.53 1s1m s TRP 508 N -4.66 -1.79 -0.30 1.56 -0.00 -1.26 -5.06 118.94 107.43 1s1m s TRP 508 Ca -0.12 0.89 -0.03 0.00 -0.00 0.00 0.00 56.10 56.85 1s1m s TRP 508 Cb 0.11 0.31 0.11 0.00 -0.00 0.00 0.00 33.47 33.99 1s1m s TRP 508 CO 0.84 -1.08 0.14 0.12 -0.00 0.00 0.00 176.95 176.97 1s1m s PHE 509 N 2.64 0.64 0.11 5.86 5.36 -1.26 -0.77 117.98 130.56 1s1m s PHE 509 Ca 0.12 -1.14 0.06 0.00 -0.96 0.00 0.00 56.93 55.00 1s1m s PHE 509 Cb -0.08 -1.06 -0.04 0.00 -0.34 0.00 0.00 43.02 41.50 1s1m s PHE 509 CO -0.22 -0.84 -0.14 0.08 -1.46 0.00 0.00 175.22 172.64 1s1m s VAL 510 N 1.86 1.29 -0.17 3.12 1.01 -0.94 -2.70 120.40 123.88 1s1m s VAL 510 Ca 0.10 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 1s1m s VAL 510 Cb -0.17 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.81 1s1m s VAL 510 CO -0.30 -0.37 0.44 0.00 0.00 0.00 0.00 175.10 174.87 1s1m s ALA 511 N -1.95 -1.09 0.08 5.51 0.00 -0.40 -2.28 121.76 121.63 1s1m s ALA 511 Ca 0.07 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1s1m s ALA 511 Cb -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1s1m s ALA 511 CO 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 175.76 175.49 1s1m h GLN 513 N 3.57 0.66 -7.48 0.00 1.08 -0.49 -0.46 115.11 111.99 1s1m h GLN 513 Ca -0.36 -0.75 -0.42 0.00 -1.45 0.00 0.00 58.65 55.67 1s1m h GLN 513 Cb 1.18 0.22 0.19 0.00 -0.05 0.00 0.00 27.48 29.02 1s1m h GLN 513 CO 0.55 1.33 0.18 -0.59 -0.95 0.00 0.00 178.83 179.35 1s1m s PHE 514 N -3.21 0.60 -0.74 2.96 -0.12 -1.26 -3.55 117.98 112.66 1s1m s PHE 514 Ca -0.10 0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 57.19 1s1m s PHE 514 Cb 0.06 -3.59 0.19 0.00 -0.63 0.00 0.00 43.02 39.05 1s1m s PHE 514 CO 0.92 -3.71 0.59 -1.01 -0.05 0.00 0.00 175.22 171.96 1s1m s HIS 515 N -3.17 3.61 0.44 3.49 3.76 -0.15 -4.20 115.29 119.06 1s1m s HIS 515 Ca 0.72 -2.80 0.17 0.00 -0.15 0.00 0.00 55.06 53.00 1s1m s HIS 515 Cb -0.08 -3.25 1.10 0.00 1.11 0.00 0.00 32.58 31.46 1s1m s HIS 515 CO 0.55 -0.81 1.91 -1.00 -0.85 0.00 0.00 174.74 174.55 1s1m h PRO 516 N 6.66 0.36 -0.81 8.40 0.13 -1.95 -2.07 132.00 142.72 1s1m h PRO 516 Ca 0.06 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.33 1s1m h PRO 516 Cb 0.90 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.89 1s1m h PRO 516 CO 0.77 0.24 0.53 1.05 -0.23 0.00 0.00 178.00 180.36 1s1m h GLU 517 N 0.37 0.45 0.00 0.86 9.09 -1.91 -0.50 114.58 122.96 1s1m h GLU 517 Ca 0.39 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1s1m h GLU 517 Cb 0.97 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 1s1m h GLU 517 CO -0.12 0.30 0.00 1.19 0.05 0.00 0.00 179.01 180.43 1s1m n PHE 518 N -4.50 0.00 0.00 2.06 0.99 -0.78 -2.46 117.46 112.77 1s1m n PHE 518 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1s1m n PHE 518 Cb 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 39.03 1s1m n PHE 518 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1s1m n THR 519 N -0.83 0.00 -2.71 4.37 -2.24 -0.20 -5.02 114.28 107.64 1s1m n THR 519 Ca 0.10 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 1s1m n THR 519 Cb 0.04 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 1s1m n THR 519 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s1m s SER 520 N -0.66 6.85 0.07 3.42 0.15 -1.03 -4.89 113.70 117.61 1s1m s SER 520 Ca 0.00 1.65 -0.13 0.00 0.70 0.00 0.00 55.95 58.17 1s1m s SER 520 Cb 0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1s1m s SER 520 CO 0.00 -0.42 0.29 0.42 1.20 0.00 0.00 173.24 174.73 1s1m s THR 521 N -2.30 0.10 0.26 6.45 -4.23 -1.23 -4.83 115.64 109.85 1s1m s THR 521 Ca 0.61 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1s1m s THR 521 Cb -0.09 -1.11 0.04 0.00 1.34 0.00 0.00 72.50 72.68 1s1m s THR 521 CO 0.18 -0.45 1.67 1.55 -0.54 0.00 0.00 174.62 177.03 1s1m h PRO 522 N 2.90 0.51 -0.20 3.99 0.13 -1.92 0.48 132.00 137.90 1s1m h PRO 522 Ca -0.33 -0.22 -0.19 0.00 -0.87 0.00 0.00 66.00 64.39 1s1m h PRO 522 Cb 1.21 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1s1m h PRO 522 CO 0.49 0.76 -0.62 0.00 -0.23 0.00 0.00 178.00 178.40 1s1m h ARG 523 N 0.44 0.77 -0.01 0.86 3.08 -1.93 -3.36 114.38 114.22 1s1m h ARG 523 Ca 0.05 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1s1m h ARG 523 Cb 0.76 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1s1m h ARG 523 CO 0.06 1.18 -0.31 -0.25 -1.07 0.00 0.00 179.97 179.58 1s1m n ASP 524 N -4.04 1.25 0.00 7.04 8.00 -1.22 -5.09 116.55 122.49 1s1m n ASP 524 Ca -0.06 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1s1m n ASP 524 Cb 0.66 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1s1m n ASP 524 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1m n GLY 525 N 1.05 0.47 3.35 0.44 0.00 0.16 -4.87 105.19 105.78 1s1m n GLY 525 Ca 0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 1s1m n GLY 525 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s1m s HIS 526 N 0.00 -0.85 0.25 1.61 2.46 -1.26 -3.53 115.29 113.96 1s1m s HIS 526 Ca 0.00 1.63 -0.04 0.00 0.47 0.00 0.00 55.06 57.12 1s1m s HIS 526 Cb 0.00 0.39 0.48 0.00 -0.13 0.00 0.00 32.58 33.32 1s1m s HIS 526 CO 0.00 -0.48 1.71 -1.35 -2.47 0.00 0.00 174.74 172.15 1s1m h PRO 527 N 7.81 0.35 -0.15 2.88 0.11 -1.89 0.46 132.00 141.56 1s1m h PRO 527 Ca -0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1s1m h PRO 527 Cb 1.13 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1s1m h PRO 527 CO 0.16 0.23 0.02 -0.07 -0.21 0.00 0.00 178.00 178.13 1s1m h LEU 528 N 0.36 0.23 -0.67 2.35 3.38 -1.97 -1.57 115.31 117.42 1s1m h LEU 528 Ca 0.42 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1s1m h LEU 528 Cb 0.69 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1s1m h LEU 528 CO -0.46 0.44 -0.17 -0.26 0.09 0.00 0.00 178.44 178.08 1s1m h PHE 529 N 0.02 0.97 -0.28 1.13 -1.00 -1.73 -0.93 116.94 115.12 1s1m h PHE 529 Ca 0.04 -0.21 0.02 0.00 2.81 0.00 0.00 57.97 60.64 1s1m h PHE 529 Cb 0.30 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 1s1m h PHE 529 CO 0.02 0.96 0.12 0.00 -1.61 0.00 0.00 178.31 177.80 1s1m h ALA 530 N 1.04 0.33 0.47 2.45 0.00 -0.06 -0.37 119.26 123.11 1s1m h ALA 530 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1s1m h ALA 530 Cb 0.69 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s1m h ALA 530 CO 0.05 -0.28 -0.27 0.78 0.00 0.00 0.00 179.25 179.54 1s1m h GLY 531 N 0.26 -0.72 -0.16 0.00 0.00 -1.02 -1.19 103.07 100.24 1s1m h GLY 531 Ca 0.12 0.29 0.16 0.00 0.00 0.00 0.00 47.33 47.90 1s1m h GLY 531 CO -0.10 -0.27 0.10 -2.75 0.00 0.00 0.00 176.54 173.52 1s1m h PHE 532 N -0.69 0.13 -0.59 5.60 3.04 -1.01 0.49 116.94 123.91 1s1m h PHE 532 Ca -0.06 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1s1m h PHE 532 Cb 0.55 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1s1m h PHE 532 CO -0.08 -0.15 0.00 0.28 -2.02 0.00 0.00 178.31 176.35 1s1m h VAL 533 N 0.19 1.27 0.04 1.41 2.07 -0.77 -1.43 116.25 119.04 1s1m h VAL 533 Ca 0.40 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1s1m h VAL 533 Cb 0.69 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1s1m h VAL 533 CO -0.56 0.41 -0.02 0.50 0.02 0.00 0.00 177.57 177.92 1s1m h LYS 534 N 0.93 -0.06 -0.64 1.57 3.64 -0.13 -0.95 116.57 120.94 1s1m h LYS 534 Ca 0.17 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 1s1m h LYS 534 Cb 0.55 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1s1m h LYS 534 CO 0.03 -0.01 0.17 0.00 -2.27 0.00 0.00 179.45 177.37 1s1m h ALA 535 N 0.87 0.81 -0.92 5.00 0.00 -0.77 0.19 119.26 124.43 1s1m h ALA 535 Ca -0.01 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1s1m h ALA 535 Cb 0.07 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1s1m h ALA 535 CO 0.01 -0.28 0.59 0.00 0.00 0.00 0.00 179.25 179.57 1s1m h ALA 536 N 1.50 1.60 0.31 0.00 0.00 -0.75 0.38 119.26 122.30 1s1m h ALA 536 Ca 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1s1m h ALA 536 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1s1m h ALA 536 CO -0.41 0.21 -0.15 1.03 0.00 0.00 0.00 179.25 179.94 1s1m h SER 537 N 0.93 -0.35 -0.85 0.00 0.87 0.61 -1.29 113.55 113.47 1s1m h SER 537 Ca 0.43 -0.15 0.15 0.00 -1.23 0.00 0.00 61.79 60.99 1s1m h SER 537 Cb 0.39 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.35 1s1m h SER 537 CO -0.19 -0.04 0.43 -0.33 -0.53 0.00 0.00 176.83 176.18 1s1m h GLU 538 N -0.69 0.60 -0.61 2.24 5.08 0.25 0.22 114.58 121.67 1s1m h GLU 538 Ca -0.04 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1s1m h GLU 538 Cb 0.48 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1s1m h GLU 538 CO 0.07 0.39 0.11 0.35 -1.00 0.00 0.00 179.01 178.93 1s1m h PHE 539 N 0.61 1.07 -0.78 4.33 3.57 -0.21 -1.40 116.94 124.13 1s1m h PHE 539 Ca 0.46 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1s1m h PHE 539 Cb 0.66 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1s1m h PHE 539 CO -0.09 0.92 0.41 0.37 -2.23 0.00 0.00 178.31 177.68 1s1m h GLN 540 N 0.92 1.10 -0.46 1.11 -0.00 0.46 -2.35 115.11 115.89 1s1m h GLN 540 Ca 0.19 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.65 58.64 1s1m h GLN 540 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.67 1s1m h GLN 540 CO 0.01 0.83 0.05 0.87 0.00 0.00 0.00 178.83 180.59 1s1m h LYS 541 N 1.09 0.73 0.00 1.69 1.57 -0.17 -3.07 116.57 118.41 1s1m h LYS 541 Ca 0.27 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1s1m h LYS 541 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1s1m h LYS 541 CO -0.04 0.71 -1.11 0.07 -0.57 0.00 0.00 179.45 178.52 1s1m h ARG 542 N 0.70 0.00 0.00 3.15 0.11 -1.14 -2.98 114.38 114.22 1s1m h ARG 542 Ca 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 1s1m h ARG 542 Cb 0.36 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.44 1s1m h ARG 542 CO 0.01 0.51 -0.06 1.96 0.10 0.00 0.00 179.97 182.49 1s1m h GLN 543 N 0.00 0.00 0.00 0.08 1.08 -1.33 -3.16 115.11 111.78 1s1m h GLN 543 Ca -0.10 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.92 1s1m h GLN 543 Cb 1.62 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.02 1s1m h GLN 543 CO 0.07 0.06 -1.84 0.00 -0.95 0.00 0.00 178.83 176.18 1s1m n ALA 544 N -2.48 1.89 -0.43 3.87 0.00 -1.23 -5.13 120.51 117.00 1s1m n ALA 544 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1s1m n ALA 544 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1s1m n ALA 544 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67