#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1n s GLU 2 N 0.00 1.31 0.57 1.64 0.41 -1.26 -5.03 118.70 116.34 1j1n s GLU 2 Ca 0.00 -1.41 0.28 0.00 -0.41 0.00 0.00 54.97 53.43 1j1n s GLU 2 Cb 0.00 -1.45 1.68 0.00 -1.78 0.00 0.00 34.13 32.59 1j1n s GLU 2 CO 0.00 0.30 2.20 0.00 -0.49 0.00 0.00 175.26 177.27 1j1n h ALA 3 N 3.31 1.49 -0.03 5.21 0.00 -1.98 -1.76 119.26 125.49 1j1n h ALA 3 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1j1n h ALA 3 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1j1n h ALA 3 CO 0.49 0.05 0.00 0.25 0.00 0.00 0.00 179.25 180.04 1j1n n THR 4 N -3.84 0.03 -1.74 0.00 -2.24 -1.26 -4.94 114.28 100.30 1j1n n THR 4 Ca -0.03 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1j1n n THR 4 Cb 0.13 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1j1n n THR 4 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1j1n n TRP 5 N -0.07 2.69 -0.01 4.78 7.02 -0.67 -4.38 117.44 126.79 1j1n n TRP 5 Ca 0.19 0.45 -0.01 0.00 -1.02 0.00 0.00 57.50 57.11 1j1n n TRP 5 Cb 0.29 -2.50 -0.12 0.00 -2.42 0.00 0.00 31.31 26.56 1j1n n TRP 5 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1j1n n VAL 6 N 0.80 1.10 -3.84 -0.99 0.31 -0.12 -4.97 118.33 110.62 1j1n n VAL 6 Ca 0.04 -0.71 -0.10 0.00 -0.01 0.00 0.00 64.34 63.56 1j1n n VAL 6 Cb 0.37 -0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 32.63 1j1n n VAL 6 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1j1n s THR 7 N -2.88 0.11 0.02 2.52 -1.32 -1.26 -4.97 115.64 107.87 1j1n s THR 7 Ca -0.05 -0.93 -0.18 0.00 -1.21 0.00 0.00 61.69 59.31 1j1n s THR 7 Cb 0.09 -0.99 -0.27 0.00 -1.51 0.00 0.00 72.50 69.82 1j1n s THR 7 CO 0.83 -0.51 1.07 -0.78 -2.21 0.00 0.00 174.62 173.02 1j1n h ASP 8 N 3.31 0.67 -3.15 8.08 3.58 -1.94 -3.44 116.42 123.52 1j1n h ASP 8 Ca -0.32 -0.81 -0.60 0.00 0.42 0.00 0.00 57.03 55.71 1j1n h ASP 8 Cb 1.19 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 41.95 1j1n h ASP 8 CO 0.49 1.40 -0.32 -1.59 -2.88 0.00 0.00 179.24 176.35 1j1n s LYS 9 N -3.01 4.09 0.15 0.28 -2.85 -1.26 -5.03 119.74 112.11 1j1n s LYS 9 Ca -0.12 0.13 -0.34 0.00 -1.00 0.00 0.00 55.97 54.65 1j1n s LYS 9 Cb 0.04 -3.36 -0.15 0.00 -2.06 0.00 0.00 37.83 32.31 1j1n s LYS 9 CO 0.87 0.39 1.46 -0.35 0.10 0.00 0.00 175.35 177.83 1j1n n PRO 10 N 3.03 1.81 -4.43 1.78 -0.04 -1.26 -4.97 135.00 130.92 1j1n n PRO 10 Ca -0.13 0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 63.64 1j1n n PRO 10 Cb 0.52 -2.35 -0.12 0.00 -0.04 0.00 0.00 33.50 31.51 1j1n n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j1n s LEU 11 N 0.66 3.18 -0.21 1.53 2.96 -0.60 -5.01 118.68 121.20 1j1n s LEU 11 Ca 0.78 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1j1n s LEU 11 Cb -0.76 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1j1n s LEU 11 CO 0.43 0.16 0.00 -0.89 -1.32 0.00 0.00 176.35 174.74 1j1n s THR 12 N 0.39 3.94 -0.10 3.68 2.01 -1.26 -0.27 115.64 124.03 1j1n s THR 12 Ca -0.05 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1j1n s THR 12 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1j1n s THR 12 CO 0.03 0.42 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.48 1j1n s LEU 13 N 1.08 2.66 0.01 4.42 1.43 0.07 -4.97 118.68 123.37 1j1n s LEU 13 Ca 0.02 -0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 52.54 1j1n s LEU 13 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1j1n s LEU 13 CO 0.02 0.23 0.91 -0.54 0.23 0.00 0.00 176.35 177.19 1j1n s LYS 14 N -0.04 4.55 -0.04 1.70 1.02 -1.26 -0.45 119.74 125.21 1j1n s LYS 14 Ca -0.03 1.29 0.04 0.00 0.02 0.00 0.00 55.97 57.29 1j1n s LYS 14 Cb -0.14 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1j1n s LYS 14 CO 0.04 0.04 -0.16 -1.50 -0.92 0.00 0.00 175.35 172.85 1j1n s ILE 15 N 0.74 1.33 -0.45 2.17 2.07 0.30 -0.48 121.20 126.88 1j1n s ILE 15 Ca 0.47 -0.65 -0.10 0.00 -1.41 0.00 0.00 60.65 58.95 1j1n s ILE 15 Cb -0.21 -1.15 0.09 0.00 0.13 0.00 0.00 42.46 41.33 1j1n s ILE 15 CO 0.26 0.39 0.31 -2.28 -1.91 0.00 0.00 174.94 171.71 1j1n s HIS 16 N 0.09 3.34 -0.23 3.50 5.65 -0.08 -1.56 115.29 126.01 1j1n s HIS 16 Ca -0.04 -1.52 -0.02 0.00 0.25 0.00 0.00 55.06 53.72 1j1n s HIS 16 Cb -0.11 -3.18 0.07 0.00 -1.18 0.00 0.00 32.58 28.19 1j1n s HIS 16 CO 0.02 -0.89 0.06 1.41 -0.65 0.00 0.00 174.74 174.69 1j1n s MET 17 N 1.45 0.61 -0.14 2.88 0.00 -1.26 -1.70 119.30 121.14 1j1n s MET 17 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 55.69 55.14 1j1n s MET 17 Cb -0.24 -1.97 0.02 0.00 0.00 0.00 0.00 34.83 32.63 1j1n s MET 17 CO 0.02 -0.77 -0.17 -1.58 0.00 0.00 0.00 175.02 172.52 1j1n s HIS 18 N 1.83 2.31 0.04 4.11 2.46 -1.25 -2.43 115.29 122.36 1j1n s HIS 18 Ca 0.03 -1.23 0.01 0.00 0.47 0.00 0.00 55.06 54.34 1j1n s HIS 18 Cb -0.17 -1.64 -0.03 0.00 -0.13 0.00 0.00 32.58 30.61 1j1n s HIS 18 CO -0.16 -0.63 -0.05 -0.59 -2.47 0.00 0.00 174.74 170.84 1j1n s PHE 19 N 1.19 0.54 -1.23 3.88 -0.12 0.01 -4.60 117.98 117.65 1j1n s PHE 19 Ca -0.01 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 56.18 1j1n s PHE 19 Cb -0.14 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1j1n s PHE 19 CO -0.07 -0.17 0.25 0.54 -0.05 0.00 0.00 175.22 175.72 1j1n n ARG 20 N 1.09 -2.99 -1.28 1.99 1.74 -1.26 -1.98 116.66 113.99 1j1n n ARG 20 Ca -0.20 0.61 -0.12 0.00 -0.77 0.00 0.00 57.85 57.37 1j1n n ARG 20 Cb 0.57 -5.29 -0.05 0.00 -1.02 0.00 0.00 32.46 26.67 1j1n n ARG 20 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1j1n n ASP 21 N -2.08 -4.16 0.00 0.55 8.00 -1.26 -4.65 116.55 112.95 1j1n n ASP 21 Ca -0.10 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1j1n n ASP 21 Cb 0.59 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 1j1n n ASP 21 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1j1n n LYS 22 N -1.35 0.00 -4.19 -1.24 0.00 -0.95 -4.52 118.16 105.91 1j1n n LYS 22 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.07 1j1n n LYS 22 Cb 0.47 -0.14 -0.10 0.00 0.00 0.00 0.00 35.03 35.27 1j1n n LYS 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1j1n s TRP 23 N 0.00 1.00 0.06 5.64 0.51 -0.83 -5.01 118.94 120.31 1j1n s TRP 23 Ca 0.00 -0.83 -0.00 0.00 -2.12 0.00 0.00 56.10 53.15 1j1n s TRP 23 Cb 0.00 -0.55 -0.04 0.00 -0.81 0.00 0.00 33.47 32.07 1j1n s TRP 23 CO 0.00 -0.07 -0.04 0.14 -0.51 0.00 0.00 176.95 176.47 1j1n s VAL 24 N -3.32 0.33 0.25 4.03 -7.23 -1.26 -0.81 120.40 112.40 1j1n s VAL 24 Ca 0.12 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1j1n s VAL 24 Cb 0.03 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 1j1n s VAL 24 CO -0.03 -0.94 1.53 0.86 -0.31 0.00 0.00 175.10 176.21 1j1n s TRP 25 N -3.71 2.92 -0.24 2.82 -0.11 -1.02 -4.97 118.94 114.63 1j1n s TRP 25 Ca 0.07 0.85 0.02 0.00 1.22 0.00 0.00 56.10 58.26 1j1n s TRP 25 Cb 0.06 -3.94 0.05 0.00 -1.50 0.00 0.00 33.47 28.14 1j1n s TRP 25 CO -0.08 -3.20 -0.11 0.34 -4.62 0.00 0.00 176.95 169.28 1j1n s ASP 26 N 0.56 4.16 0.15 5.86 -1.08 -1.26 -4.66 116.67 120.40 1j1n s ASP 26 Ca 0.63 -1.26 0.15 0.00 -0.52 0.00 0.00 52.55 51.56 1j1n s ASP 26 Cb -0.45 -1.47 0.71 0.00 -1.46 0.00 0.00 42.92 40.26 1j1n s ASP 26 CO 0.43 -0.17 1.47 -1.84 0.52 0.00 0.00 175.17 175.57 1j1n n GLU 27 N 4.50 0.09 0.00 4.34 0.28 -1.26 -1.09 120.64 127.49 1j1n n GLU 27 Ca -0.14 0.46 0.13 0.00 -0.16 0.00 0.00 57.16 57.44 1j1n n GLU 27 Cb 0.43 -1.72 0.40 0.00 1.43 0.00 0.00 31.44 31.98 1j1n n GLU 27 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j1n n ASN 28 N -1.89 1.11 -4.75 -1.84 4.13 -1.26 -3.89 115.26 106.87 1j1n n ASN 28 Ca 0.01 -0.99 -0.40 0.00 1.68 0.00 0.00 54.58 54.88 1j1n n ASN 28 Cb 0.11 0.11 0.02 0.00 -1.54 0.00 0.00 39.78 38.49 1j1n n ASN 28 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1j1n n TRP 29 N -0.51 2.49 -0.37 3.10 8.01 -0.25 -4.81 117.44 125.09 1j1n n TRP 29 Ca 0.13 0.44 0.03 0.00 -1.31 0.00 0.00 57.50 56.80 1j1n n TRP 29 Cb 0.35 -2.42 0.18 0.00 -2.01 0.00 0.00 31.31 27.42 1j1n n TRP 29 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1j1n h PRO 30 N 2.00 1.13 -0.23 -0.99 0.11 -1.89 -0.46 132.00 131.67 1j1n h PRO 30 Ca -0.50 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.39 1j1n h PRO 30 Cb 1.28 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1j1n h PRO 30 CO 0.60 0.75 -0.46 0.28 -0.21 0.00 0.00 178.00 178.96 1j1n h VAL 31 N 1.16 1.30 -0.54 3.15 2.07 -1.64 -1.77 116.25 119.99 1j1n h VAL 31 Ca 0.44 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1j1n h VAL 31 Cb 0.19 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1j1n h VAL 31 CO -0.18 0.52 0.08 0.00 0.02 0.00 0.00 177.57 178.01 1j1n h ALA 32 N 1.02 0.72 -0.67 1.67 0.00 -1.54 0.18 119.26 120.64 1j1n h ALA 32 Ca 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1j1n h ALA 32 Cb 0.98 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1j1n h ALA 32 CO 0.09 0.46 0.22 0.87 0.00 0.00 0.00 179.25 180.89 1j1n h LYS 33 N 0.78 1.02 -0.27 0.00 1.79 -1.00 -1.14 116.57 117.75 1j1n h LYS 33 Ca 0.16 -0.20 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 1j1n h LYS 33 Cb 0.41 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1j1n h LYS 33 CO 0.01 0.86 -0.41 1.49 -1.08 0.00 0.00 179.45 180.32 1j1n h GLU 34 N 0.98 0.65 -0.22 3.15 4.57 -0.94 -0.36 114.58 122.42 1j1n h GLU 34 Ca 0.22 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1j1n h GLU 34 Cb 0.26 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1j1n h GLU 34 CO -0.01 0.95 0.12 1.03 -1.18 0.00 0.00 179.01 179.92 1j1n h SER 35 N 0.53 0.27 -0.64 1.04 0.87 -0.19 -0.40 113.55 115.02 1j1n h SER 35 Ca 0.04 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1j1n h SER 35 Cb 0.94 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1j1n h SER 35 CO 0.08 0.26 0.22 0.15 -0.53 0.00 0.00 176.83 177.01 1j1n h PHE 36 N 0.25 1.02 -0.94 2.24 3.57 -1.09 0.43 116.94 122.43 1j1n h PHE 36 Ca 0.08 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1j1n h PHE 36 Cb 0.05 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1j1n h PHE 36 CO -0.04 0.82 0.62 -0.09 -2.23 0.00 0.00 178.31 177.39 1j1n h ARG 37 N 0.92 1.22 0.00 1.11 2.43 -0.70 0.17 114.38 119.53 1j1n h ARG 37 Ca 0.21 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 1j1n h ARG 37 Cb 0.27 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1j1n h ARG 37 CO -0.01 0.80 -0.97 -0.07 -1.51 0.00 0.00 179.97 178.22 1j1n h LEU 38 N 1.25 0.00 0.00 3.80 3.38 -0.74 -3.39 115.31 119.61 1j1n h LEU 38 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1j1n h LEU 38 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j1n h LEU 38 CO -0.09 0.59 -1.14 0.35 0.09 0.00 0.00 178.44 178.25 1j1n n THR 39 N -3.09 0.00 -1.22 0.22 -2.24 0.11 -2.45 114.28 105.61 1j1n n THR 39 Ca -0.04 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 1j1n n THR 39 Cb 0.81 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1j1n n THR 39 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j1n n ASN 40 N -1.65 -4.02 -4.22 3.42 4.05 0.58 -0.94 115.26 112.49 1j1n n ASN 40 Ca -0.01 0.19 -0.33 0.00 0.45 0.00 0.00 54.58 54.88 1j1n n ASN 40 Cb 0.21 -2.20 -0.16 0.00 1.23 0.00 0.00 39.78 38.86 1j1n n ASN 40 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1j1n s VAL 41 N -2.26 2.43 -0.14 3.44 1.01 -1.25 -1.55 120.40 122.08 1j1n s VAL 41 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1j1n s VAL 41 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1j1n s VAL 41 CO 0.00 0.52 -0.01 -0.75 0.00 0.00 0.00 175.10 174.87 1j1n s LYS 42 N 0.93 3.52 -0.30 2.72 2.20 0.63 -3.95 119.74 125.49 1j1n s LYS 42 Ca -0.03 -0.45 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 1j1n s LYS 42 Cb -0.15 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1j1n s LYS 42 CO -0.03 0.39 0.16 -0.51 -0.36 0.00 0.00 175.35 175.01 1j1n s LEU 43 N -0.03 4.09 -0.35 5.43 1.43 -1.26 -0.75 118.68 127.24 1j1n s LEU 43 Ca 0.03 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 1j1n s LEU 43 Cb -0.13 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1j1n s LEU 43 CO 0.02 -0.16 0.52 -1.58 0.23 0.00 0.00 176.35 175.38 1j1n s GLN 44 N 1.65 3.62 0.19 1.70 0.74 0.40 -4.50 119.66 123.46 1j1n s GLN 44 Ca 0.05 -0.15 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 1j1n s GLN 44 Cb -0.17 -3.81 -0.08 0.00 1.10 0.00 0.00 33.01 30.05 1j1n s GLN 44 CO 0.07 -0.66 1.21 0.45 -0.55 0.00 0.00 175.29 175.82 1j1n s SER 45 N 1.76 7.06 -0.03 6.67 0.15 -1.26 -0.54 113.70 127.52 1j1n s SER 45 Ca 0.19 2.26 0.05 0.00 0.70 0.00 0.00 55.95 59.15 1j1n s SER 45 Cb -0.15 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.62 1j1n s SER 45 CO 0.13 -0.39 1.00 1.33 1.20 0.00 0.00 173.24 176.52 1j1n n VAL 46 N 2.46 1.13 -2.51 4.45 0.24 -0.60 -4.89 118.33 118.62 1j1n n VAL 46 Ca 0.04 -1.23 -0.25 0.00 -2.04 0.00 0.00 64.34 60.86 1j1n n VAL 46 Cb 0.44 0.34 0.03 0.00 -1.47 0.00 0.00 33.84 33.19 1j1n n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j1n s ALA 47 N -1.39 3.43 -0.43 2.33 0.00 -1.26 -4.95 121.76 119.49 1j1n s ALA 47 Ca 0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1j1n s ALA 47 Cb 0.07 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.76 1j1n s ALA 47 CO 0.01 -0.77 0.39 1.21 0.00 0.00 0.00 175.76 176.59 1j1n s ASN 48 N -4.32 6.16 0.61 0.00 3.04 -1.26 -4.95 114.94 114.21 1j1n s ASN 48 Ca 0.54 -0.90 0.39 0.00 0.04 0.00 0.00 52.86 52.93 1j1n s ASN 48 Cb -0.10 -2.20 1.94 0.00 -1.54 0.00 0.00 41.25 39.35 1j1n s ASN 48 CO 0.43 -0.56 2.20 0.07 -3.04 0.00 0.00 177.10 176.20 1j1n h LYS 49 N 8.71 0.00 0.00 0.43 2.10 -1.96 -2.12 116.57 123.73 1j1n h LYS 49 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1j1n h LYS 49 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1j1n h LYS 49 CO 0.80 0.02 -0.26 0.00 -2.00 0.00 0.00 179.45 178.00 1j1n n ALA 50 N -2.11 2.85 -1.77 0.07 0.00 -1.26 -4.88 120.51 113.40 1j1n n ALA 50 Ca -0.02 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 1j1n n ALA 50 Cb 0.17 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1j1n n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j1n s ALA 51 N -3.03 3.15 -0.25 0.00 0.00 -0.80 -4.98 121.76 115.86 1j1n s ALA 51 Ca 0.12 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1j1n s ALA 51 Cb 0.17 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 20.13 1j1n s ALA 51 CO 0.62 -0.38 1.12 0.25 0.00 0.00 0.00 175.76 177.38 1j1n n THR 52 N 0.14 1.27 -3.62 0.00 -2.24 -1.26 -4.64 114.28 103.93 1j1n n THR 52 Ca 0.04 -1.31 -0.29 0.00 -2.27 0.00 0.00 64.05 60.22 1j1n n THR 52 Cb 0.47 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.87 1j1n n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j1n s ASN 53 N -1.42 3.56 0.21 3.42 3.04 -1.26 -4.71 114.94 117.77 1j1n s ASN 53 Ca 0.15 -1.96 -0.09 0.00 0.04 0.00 0.00 52.86 51.00 1j1n s ASN 53 Cb 0.11 -0.68 0.26 0.00 -1.54 0.00 0.00 41.25 39.39 1j1n s ASN 53 CO 0.05 -0.36 1.79 0.28 -3.04 0.00 0.00 177.10 175.83 1j1n h SER 54 N 7.53 0.49 -0.44 -4.21 0.02 -1.87 -1.51 113.55 113.55 1j1n h SER 54 Ca -0.06 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1j1n h SER 54 Cb 0.98 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1j1n h SER 54 CO 0.41 0.31 0.01 1.56 -1.14 0.00 0.00 176.83 177.98 1j1n h GLN 55 N 0.63 0.84 -0.65 3.45 1.08 -1.93 -1.90 115.11 116.62 1j1n h GLN 55 Ca 0.30 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1j1n h GLN 55 Cb 0.24 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1j1n h GLN 55 CO -0.21 0.84 0.20 1.49 -0.95 0.00 0.00 178.83 180.19 1j1n h GLU 56 N 0.79 1.01 -0.44 1.46 4.81 -1.86 -1.86 114.58 118.49 1j1n h GLU 56 Ca 0.15 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1j1n h GLU 56 Cb 0.46 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1j1n h GLU 56 CO 0.02 0.89 0.01 1.96 -0.73 0.00 0.00 179.01 181.17 1j1n h GLN 57 N 0.94 0.70 -0.03 1.92 1.08 -0.93 -1.02 115.11 117.77 1j1n h GLN 57 Ca 0.21 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1j1n h GLN 57 Cb 0.31 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1j1n h GLN 57 CO -0.01 0.71 0.01 0.35 -0.95 0.00 0.00 178.83 178.94 1j1n h PHE 58 N 0.66 0.05 -0.54 2.96 3.04 -1.00 -0.99 116.94 121.13 1j1n h PHE 58 Ca 0.14 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.14 1j1n h PHE 58 Cb 0.39 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.83 1j1n h PHE 58 CO 0.02 0.24 0.25 -0.91 -2.02 0.00 0.00 178.31 175.88 1j1n h ASN 59 N -0.15 0.33 -0.50 0.41 2.35 -1.01 -0.51 115.58 116.51 1j1n h ASN 59 Ca 0.01 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1j1n h ASN 59 Cb 0.21 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1j1n h ASN 59 CO -0.00 0.22 0.09 -0.07 -1.65 0.00 0.00 177.43 176.02 1j1n h LEU 60 N 0.47 0.78 -0.57 1.61 3.38 -1.10 -2.88 115.31 117.01 1j1n h LEU 60 Ca 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j1n h LEU 60 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j1n h LEU 60 CO -0.20 0.84 0.27 -0.03 0.09 0.00 0.00 178.44 179.41 1j1n h MET 61 N 0.70 0.83 0.00 1.13 4.05 -0.69 -2.16 114.93 118.78 1j1n h MET 61 Ca 0.15 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1j1n h MET 61 Cb 0.39 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1j1n h MET 61 CO 0.01 0.68 0.00 0.52 0.23 0.00 0.00 176.91 178.35 1j1n h MET 62 N 0.77 0.00 -0.47 0.39 2.86 -1.02 -1.98 114.93 115.49 1j1n h MET 62 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1j1n h MET 62 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1j1n h MET 62 CO -0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.95 1j1n n ALA 63 N -1.89 2.31 0.23 6.32 0.00 -0.87 -4.56 120.51 122.06 1j1n n ALA 63 Ca 0.01 -1.26 0.13 0.00 0.00 0.00 0.00 53.44 52.31 1j1n n ALA 63 Cb 0.20 -0.61 0.30 0.00 0.00 0.00 0.00 19.45 19.34 1j1n n ALA 63 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j1n h SER 64 N 2.76 0.00 0.00 0.00 4.64 -0.76 -3.47 113.55 116.71 1j1n h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1n h SER 64 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1j1n h SER 64 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1j1n n GLY 65 N 0.82 0.90 2.34 -0.77 0.00 -1.26 -4.92 105.19 102.29 1j1n n GLY 65 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1j1n n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j1n n ASP 66 N 0.00 -0.23 -4.77 1.61 2.03 -1.26 -5.13 116.55 108.80 1j1n n ASP 66 Ca 0.00 -2.48 -0.37 0.00 0.52 0.00 0.00 54.79 52.45 1j1n n ASP 66 Cb 0.00 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 1j1n n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1j1n s LEU 67 N -0.34 4.08 0.00 -2.67 1.43 -1.26 -5.05 118.68 114.87 1j1n s LEU 67 Ca 0.33 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1j1n s LEU 67 Cb 0.08 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1j1n s LEU 67 CO -0.17 -0.82 0.00 -0.81 0.23 0.00 0.00 176.35 174.78 1j1n n PRO 68 N -0.29 -0.02 -0.02 1.29 -0.04 -1.26 -4.93 135.00 129.73 1j1n n PRO 68 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1j1n n PRO 68 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.79 1j1n n PRO 68 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j1n n ASP 69 N -2.61 1.15 -4.01 3.54 10.43 0.37 -4.55 116.55 120.87 1j1n n ASP 69 Ca 0.00 0.31 -0.14 0.00 2.57 0.00 0.00 54.79 57.53 1j1n n ASP 69 Cb 0.00 -0.19 -0.13 0.00 1.84 0.00 0.00 41.12 42.64 1j1n n ASP 69 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1j1n s VAL 70 N -2.58 0.47 -0.06 2.53 1.01 -0.43 -2.18 120.40 119.16 1j1n s VAL 70 Ca -0.11 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1j1n s VAL 70 Cb 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1j1n s VAL 70 CO 0.80 -0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.96 1j1n s VAL 71 N -0.74 1.11 0.14 2.92 1.01 -0.87 -0.90 120.40 123.06 1j1n s VAL 71 Ca -0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1j1n s VAL 71 Cb -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1j1n s VAL 71 CO 0.00 0.35 0.10 -0.83 0.00 0.00 0.00 175.10 174.72 1j1n s GLY 72 N 0.66 0.90 0.00 4.51 0.00 -0.69 -0.48 107.32 112.22 1j1n s GLY 72 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1j1n s GLY 72 CO 0.04 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1j1n n GLY 73 N -0.12 0.73 3.87 0.20 0.00 -0.44 -3.81 105.19 105.61 1j1n n GLY 73 Ca -0.06 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1j1n n GLY 73 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j1n s ASP 74 N 0.00 6.64 -1.43 1.61 -4.77 -1.26 -1.91 116.67 115.54 1j1n s ASP 74 Ca 0.00 1.09 -0.07 0.00 -3.30 0.00 0.00 52.55 50.27 1j1n s ASP 74 Cb 0.00 -2.30 0.05 0.00 -1.09 0.00 0.00 42.92 39.58 1j1n s ASP 74 CO 0.00 -0.22 0.83 0.59 0.70 0.00 0.00 175.17 177.07 1j1n n ASN 75 N -0.61 -3.03 -0.25 2.11 3.02 -0.82 -4.89 115.26 110.80 1j1n n ASN 75 Ca 0.02 -0.81 0.03 0.00 -0.03 0.00 0.00 54.58 53.79 1j1n n ASN 75 Cb 0.53 -3.91 0.02 0.00 -0.61 0.00 0.00 39.78 35.82 1j1n n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1j1n n LEU 76 N -4.50 1.45 -0.16 3.41 4.77 0.13 -4.77 117.00 117.32 1j1n n LEU 76 Ca -0.12 -0.96 -0.07 0.00 -0.03 0.00 0.00 56.01 54.84 1j1n n LEU 76 Cb 0.60 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1j1n n LEU 76 CO 0.73 0.30 0.63 0.50 -1.33 0.00 0.00 177.39 178.21 1j1n h LYS 77 N 1.21 -0.21 -0.66 3.23 3.64 -1.73 0.28 116.57 122.34 1j1n h LYS 77 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1j1n h LYS 77 Cb 0.27 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1j1n h LYS 77 CO 0.00 -0.14 0.40 -0.44 -2.27 0.00 0.00 179.45 177.00 1j1n h ASP 78 N -0.22 0.77 0.26 4.20 3.45 -1.88 -1.45 116.42 121.57 1j1n h ASP 78 Ca 0.20 -0.04 -0.19 0.00 0.43 0.00 0.00 57.03 57.43 1j1n h ASP 78 Cb 0.55 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1j1n h ASP 78 CO -0.61 0.59 -0.78 0.11 -1.57 0.00 0.00 179.24 176.98 1j1n h LYS 79 N 0.90 0.42 -0.55 3.56 1.57 -1.53 -1.05 116.57 119.89 1j1n h LYS 79 Ca 0.24 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1j1n h LYS 79 Cb -0.05 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1j1n h LYS 79 CO -0.05 1.01 0.22 0.74 -0.57 0.00 0.00 179.45 180.80 1j1n h PHE 80 N 0.28 0.84 -0.17 -1.35 0.05 -0.03 0.57 116.94 117.12 1j1n h PHE 80 Ca -0.04 -0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.65 1j1n h PHE 80 Cb 1.37 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 39.06 1j1n h PHE 80 CO 0.05 0.68 -0.01 0.82 -0.18 0.00 0.00 178.31 179.67 1j1n h ILE 81 N 0.75 1.27 0.08 -0.55 2.04 -1.22 0.77 117.51 120.65 1j1n h ILE 81 Ca 0.18 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1j1n h ILE 81 Cb 0.20 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1j1n h ILE 81 CO -0.01 0.27 -0.04 -0.61 0.00 0.00 0.00 178.15 177.76 1j1n h GLN 82 N 0.04 -0.11 0.00 2.37 4.15 -1.10 -1.98 115.11 118.48 1j1n h GLN 82 Ca 0.05 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1j1n h GLN 82 Cb 0.42 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1j1n h GLN 82 CO 0.01 0.24 -0.29 1.88 -1.93 0.00 0.00 178.83 178.74 1j1n h TYR 83 N -0.46 0.00 -0.10 3.99 0.05 -0.97 -1.76 116.97 117.72 1j1n h TYR 83 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1j1n h TYR 83 Cb 0.39 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 1j1n h TYR 83 CO 0.04 0.29 -0.02 0.78 -1.05 0.00 0.00 178.16 178.20 1j1n h GLY 84 N 1.35 0.20 2.00 3.88 0.00 -0.76 0.29 103.07 110.03 1j1n h GLY 84 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1j1n h GLY 84 CO 0.04 0.14 -0.24 1.46 0.00 0.00 0.00 176.54 177.94 1j1n h GLN 85 N -0.14 0.00 0.00 4.80 4.20 -1.14 -1.69 115.11 121.15 1j1n h GLN 85 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1j1n h GLN 85 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1j1n h GLN 85 CO 0.01 0.24 0.00 0.39 -0.67 0.00 0.00 178.83 178.80 1j1n n GLU 86 N -4.15 0.25 -0.05 1.46 1.02 -0.68 -4.93 120.64 113.56 1j1n n GLU 86 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1j1n n GLU 86 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1j1n n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j1n n GLY 87 N 1.32 1.02 0.07 0.62 0.00 -0.63 -5.01 105.19 102.57 1j1n n GLY 87 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1j1n n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1n n ALA 88 N -1.81 1.98 -2.39 4.61 0.00 0.01 -4.78 120.51 118.12 1j1n n ALA 88 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.22 1j1n n ALA 88 Cb 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 1j1n n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1j1n s PHE 89 N -2.89 2.21 0.22 0.00 0.08 -1.25 -1.71 117.98 114.65 1j1n s PHE 89 Ca -0.08 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 1j1n s PHE 89 Cb 0.09 -1.27 -0.07 0.00 -0.57 0.00 0.00 43.02 41.20 1j1n s PHE 89 CO 0.85 0.20 0.54 0.14 -0.10 0.00 0.00 175.22 176.85 1j1n s VAL 90 N -0.92 4.94 0.49 -0.44 -7.23 -0.37 -4.68 120.40 112.18 1j1n s VAL 90 Ca 0.12 0.48 -0.22 0.00 -1.81 0.00 0.00 61.98 60.55 1j1n s VAL 90 Cb -0.10 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.15 1j1n s VAL 90 CO 0.04 -0.04 1.17 -2.16 -0.31 0.00 0.00 175.10 173.79 1j1n s PRO 91 N -2.74 3.62 0.00 4.82 0.04 -1.26 -4.69 135.00 134.79 1j1n s PRO 91 Ca 0.46 1.77 0.13 0.00 0.04 0.00 0.00 61.00 63.40 1j1n s PRO 91 Cb -0.11 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1j1n s PRO 91 CO 0.21 -0.67 0.76 1.28 0.04 0.00 0.00 177.00 178.62 1j1n n LEU 92 N -0.72 1.50 -0.17 -3.56 4.77 0.79 -4.76 117.00 114.85 1j1n n LEU 92 Ca 0.09 -0.80 -0.12 0.00 -0.03 0.00 0.00 56.01 55.15 1j1n n LEU 92 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1j1n n LEU 92 CO 0.47 0.29 0.53 0.78 -1.33 0.00 0.00 177.39 178.12 1j1n h ASN 93 N 1.58 -1.72 0.05 -1.43 -0.26 -1.93 0.26 115.58 112.12 1j1n h ASN 93 Ca 0.00 0.25 -0.17 0.00 -0.56 0.00 0.00 56.30 55.81 1j1n h ASN 93 Cb 0.45 0.73 -0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1j1n h ASN 93 CO 0.00 -0.37 -0.62 0.50 -1.06 0.00 0.00 177.43 175.88 1j1n h LYS 94 N -0.32 0.56 -0.96 0.81 3.64 -1.98 -2.20 116.57 116.12 1j1n h LYS 94 Ca 0.12 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1j1n h LYS 94 Cb 0.58 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1j1n h LYS 94 CO -0.64 1.01 0.64 -0.07 -2.27 0.00 0.00 179.45 178.11 1j1n h LEU 95 N 0.42 1.07 -0.03 5.20 3.38 -1.74 -0.78 115.31 122.83 1j1n h LEU 95 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1j1n h LEU 95 Cb 1.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1j1n h LEU 95 CO 0.12 0.75 -0.01 0.40 0.09 0.00 0.00 178.44 179.79 1j1n h ILE 96 N 1.25 1.30 -0.62 1.22 2.04 -0.86 0.32 117.51 122.16 1j1n h ILE 96 Ca 0.37 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1j1n h ILE 96 Cb -0.05 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1j1n h ILE 96 CO -0.10 0.24 0.41 0.44 0.00 0.00 0.00 178.15 179.14 1j1n h ASP 97 N -0.32 0.58 0.20 1.72 5.19 -0.98 -1.62 116.42 121.20 1j1n h ASP 97 Ca 0.01 -0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.07 1j1n h ASP 97 Cb 0.40 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 1j1n h ASP 97 CO 0.00 0.39 -2.06 1.67 -3.12 0.00 0.00 179.24 176.12 1j1n n GLN 98 N -4.47 0.69 0.00 3.56 7.27 -0.34 -4.74 117.38 119.35 1j1n n GLN 98 Ca 0.08 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1j1n n GLN 98 Cb 0.18 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.16 1j1n n GLN 98 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1j1n n TYR 99 N -3.16 0.00 -3.64 3.69 4.02 0.10 -4.89 117.16 113.28 1j1n n TYR 99 Ca -0.30 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.32 1j1n n TYR 99 Cb 1.06 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.28 1j1n n TYR 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j1n n ALA 100 N -0.28 3.52 -0.02 -0.72 0.00 -0.61 -4.57 120.51 117.83 1j1n n ALA 100 Ca 0.00 -4.39 0.08 0.00 0.00 0.00 0.00 53.44 49.13 1j1n n ALA 100 Cb 0.02 -0.94 0.48 0.00 0.00 0.00 0.00 19.45 19.00 1j1n n ALA 100 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j1n h PRO 101 N 4.90 0.43 -0.15 0.00 0.13 -1.90 0.19 132.00 135.59 1j1n h PRO 101 Ca 0.17 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.08 1j1n h PRO 101 Cb 0.75 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.79 1j1n h PRO 101 CO 0.71 0.28 -0.69 0.45 -0.23 0.00 0.00 178.00 178.52 1j1n h HIS 102 N 0.44 0.99 -0.34 1.56 3.86 -1.89 -0.93 115.15 118.83 1j1n h HIS 102 Ca 0.20 -0.43 -0.17 0.00 -1.16 0.00 0.00 60.37 58.81 1j1n h HIS 102 Cb 0.22 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1j1n h HIS 102 CO -0.00 1.25 -0.45 0.82 0.86 0.00 0.00 177.93 180.41 1j1n h ILE 103 N 0.45 1.27 -0.38 2.45 2.04 -1.79 -1.02 117.51 120.54 1j1n h ILE 103 Ca -0.04 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.20 1j1n h ILE 103 Cb 1.32 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1j1n h ILE 103 CO 0.14 0.54 0.24 0.50 0.00 0.00 0.00 178.15 179.57 1j1n h LYS 104 N 0.72 0.48 -0.67 2.37 3.64 -0.93 -0.27 116.57 121.90 1j1n h LYS 104 Ca 0.04 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1j1n h LYS 104 Cb 1.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1j1n h LYS 104 CO 0.10 0.32 0.12 0.00 -2.27 0.00 0.00 179.45 177.72 1j1n h ALA 105 N 1.15 0.94 -0.04 5.00 0.00 -1.09 -1.70 119.26 123.52 1j1n h ALA 105 Ca 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j1n h ALA 105 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1j1n h ALA 105 CO -0.04 0.66 0.03 0.35 0.00 0.00 0.00 179.25 180.25 1j1n h PHE 106 N 1.03 0.05 -0.35 0.00 3.57 -0.68 -2.13 116.94 118.44 1j1n h PHE 106 Ca 0.21 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1j1n h PHE 106 Cb 0.42 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1j1n h PHE 106 CO 0.03 0.08 0.03 0.74 -2.23 0.00 0.00 178.31 176.96 1j1n h PHE 107 N 0.02 0.54 -0.64 0.41 0.05 -0.91 0.99 116.94 117.39 1j1n h PHE 107 Ca 0.01 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 1j1n h PHE 107 Cb 0.04 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.80 1j1n h PHE 107 CO -0.06 0.51 0.21 -0.22 -0.18 0.00 0.00 178.31 178.57 1j1n h LYS 108 N 0.51 0.97 0.00 1.51 1.63 -1.00 -2.00 116.57 118.19 1j1n h LYS 108 Ca 0.11 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1j1n h LYS 108 Cb 0.28 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1j1n h LYS 108 CO 0.00 0.82 -0.41 -1.13 -3.45 0.00 0.00 179.45 175.28 1j1n n SER 109 N -4.28 0.43 -3.07 4.20 3.41 -0.83 -4.19 113.62 109.29 1j1n n SER 109 Ca 0.05 -0.06 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 1j1n n SER 109 Cb 0.21 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1j1n n SER 109 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1j1n n HIS 110 N -1.57 1.88 -0.05 7.33 8.25 0.29 -4.95 115.22 126.40 1j1n n HIS 110 Ca 0.06 -3.87 0.14 0.00 -0.26 0.00 0.00 57.72 53.78 1j1n n HIS 110 Cb 0.35 -0.45 0.55 0.00 1.12 0.00 0.00 29.99 31.57 1j1n n HIS 110 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j1n h PRO 111 N 2.99 0.28 -0.19 -0.41 0.13 -1.54 -1.34 132.00 131.91 1j1n h PRO 111 Ca 0.11 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1j1n h PRO 111 Cb 0.77 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1j1n h PRO 111 CO 0.64 0.19 -0.23 1.05 -0.23 0.00 0.00 178.00 179.42 1j1n h GLU 112 N 0.29 0.33 -0.12 0.86 9.09 -1.92 -0.92 114.58 122.19 1j1n h GLU 112 Ca 0.27 -0.11 -0.07 0.00 0.05 0.00 0.00 59.36 59.50 1j1n h GLU 112 Cb 0.66 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1j1n h GLU 112 CO -0.06 0.55 -0.18 0.28 0.05 0.00 0.00 179.01 179.64 1j1n h VAL 113 N 0.30 1.37 -0.85 -1.06 2.07 -1.62 -1.87 116.25 114.60 1j1n h VAL 113 Ca 0.05 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1j1n h VAL 113 Cb 0.57 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1j1n h VAL 113 CO 0.04 0.41 0.56 -0.08 0.02 0.00 0.00 177.57 178.52 1j1n h GLU 114 N -0.07 1.11 -0.59 1.57 4.81 -1.29 -2.30 114.58 117.81 1j1n h GLU 114 Ca 0.01 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1j1n h GLU 114 Cb 0.75 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1j1n h GLU 114 CO 0.04 0.73 0.08 -0.09 -0.73 0.00 0.00 179.01 179.05 1j1n h ARG 115 N 1.14 0.97 0.00 1.92 2.43 -1.14 -2.95 114.38 116.75 1j1n h ARG 115 Ca 0.31 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1j1n h ARG 115 Cb -0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1j1n h ARG 115 CO -0.07 0.91 -0.24 0.00 -1.51 0.00 0.00 179.97 179.06 1j1n h ALA 116 N 1.17 1.33 0.00 2.80 0.00 -0.79 -3.06 119.26 120.72 1j1n h ALA 116 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j1n h ALA 116 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j1n h ALA 116 CO 0.01 0.30 -0.80 0.44 0.00 0.00 0.00 179.25 179.20 1j1n n ILE 117 N -3.86 0.01 -2.37 0.00 -5.35 -1.01 -4.96 119.36 101.82 1j1n n ILE 117 Ca -0.02 -0.02 -0.35 0.00 -0.27 0.00 0.00 62.75 62.10 1j1n n ILE 117 Cb 0.33 0.63 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 1j1n n ILE 117 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1j1n s LYS 118 N -3.01 3.60 0.62 6.28 1.02 -1.13 -4.60 119.74 122.52 1j1n s LYS 118 Ca 0.09 1.55 -0.03 0.00 0.02 0.00 0.00 55.97 57.59 1j1n s LYS 118 Cb 0.17 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1j1n s LYS 118 CO 0.79 -0.63 0.89 0.00 -0.92 0.00 0.00 175.35 175.49 1j1n s ALA 119 N -1.80 3.47 0.49 5.17 0.00 -0.45 -4.94 121.76 123.70 1j1n s ALA 119 Ca 0.69 -1.04 0.20 0.00 0.00 0.00 0.00 51.96 51.81 1j1n s ALA 119 Cb -0.22 -2.39 1.25 0.00 0.00 0.00 0.00 23.12 21.76 1j1n s ALA 119 CO 0.26 -0.98 1.99 -1.35 0.00 0.00 0.00 175.76 175.68 1j1n h PRO 120 N -0.25 0.15 0.00 0.00 0.11 -1.90 0.60 132.00 130.72 1j1n h PRO 120 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j1n h PRO 120 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1j1n h PRO 120 CO 0.57 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1j1n n ASP 121 N -4.43 0.00 0.00 -2.05 5.68 -1.26 -4.72 116.55 109.78 1j1n n ASP 121 Ca 0.09 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1j1n n ASP 121 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1j1n n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j1n n GLY 122 N 0.68 1.37 3.87 6.12 0.00 0.20 -5.04 105.19 112.40 1j1n n GLY 122 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1j1n n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j1n s ASN 123 N -3.18 6.66 -0.31 1.61 0.01 -1.26 -4.75 114.94 113.72 1j1n s ASN 123 Ca 0.00 0.96 -0.15 0.00 -0.71 0.00 0.00 52.86 52.96 1j1n s ASN 123 Cb 0.00 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1j1n s ASN 123 CO 0.00 -0.05 0.35 -0.63 -1.51 0.00 0.00 177.10 175.25 1j1n s ILE 124 N -1.77 5.19 -1.92 0.60 1.01 -1.26 -1.34 121.20 121.70 1j1n s ILE 124 Ca 0.46 0.21 0.18 0.00 0.00 0.00 0.00 60.65 61.50 1j1n s ILE 124 Cb -0.12 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.65 1j1n s ILE 124 CO 0.21 0.02 0.99 -1.22 0.00 0.00 0.00 174.94 174.93 1j1n n TYR 125 N 5.33 0.00 -3.53 3.97 4.02 -1.26 -0.15 117.16 125.55 1j1n n TYR 125 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.66 1j1n n TYR 125 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 1j1n n TYR 125 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1j1n s PHE 126 N -1.87 -0.47 -0.23 -0.72 -0.71 -1.26 -4.45 117.98 108.25 1j1n s PHE 126 Ca 0.18 0.48 -0.11 0.00 -1.04 0.00 0.00 56.93 56.44 1j1n s PHE 126 Cb 0.15 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 1j1n s PHE 126 CO 0.37 -0.70 0.17 0.42 -1.34 0.00 0.00 175.22 174.13 1j1n s ILE 127 N -2.75 5.36 0.52 -4.49 -1.09 -0.43 -4.94 121.20 113.38 1j1n s ILE 127 Ca -0.04 0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.55 1j1n s ILE 127 Cb -0.00 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1j1n s ILE 127 CO -0.04 0.35 0.80 -2.16 -1.23 0.00 0.00 174.94 172.66 1j1n s PRO 128 N 0.99 3.13 -0.38 2.79 0.04 -1.26 -1.94 135.00 138.37 1j1n s PRO 128 Ca 0.08 -0.09 -0.26 0.00 0.04 0.00 0.00 61.00 60.78 1j1n s PRO 128 Cb -0.13 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.04 1j1n s PRO 128 CO 0.04 -0.44 0.94 -0.47 0.04 0.00 0.00 177.00 177.11 1j1n s TYR 129 N -2.80 3.06 -0.40 0.56 5.04 -0.60 -2.43 117.35 119.77 1j1n s TYR 129 Ca 0.50 0.76 -0.12 0.00 -2.44 0.00 0.00 57.07 55.77 1j1n s TYR 129 Cb -0.10 -3.70 0.04 0.00 0.35 0.00 0.00 41.96 38.54 1j1n s TYR 129 CO 0.43 -0.86 0.26 0.08 -1.34 0.00 0.00 175.55 174.12 1j1n s VAL 130 N 3.54 4.78 0.75 3.14 1.01 -0.44 -1.88 120.40 131.30 1j1n s VAL 130 Ca 0.39 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1j1n s VAL 130 Cb -0.12 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1j1n s VAL 130 CO 0.20 -0.33 1.08 -2.84 0.00 0.00 0.00 175.10 173.21 1j1n s PRO 131 N 1.58 2.43 -0.13 2.72 0.02 -1.26 -0.81 135.00 139.55 1j1n s PRO 131 Ca 0.03 1.02 -0.01 0.00 0.02 0.00 0.00 61.00 62.06 1j1n s PRO 131 Cb -0.20 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.43 1j1n s PRO 131 CO 0.07 -1.48 -0.03 0.34 -0.33 0.00 0.00 177.00 175.57 1j1n s ASP 132 N -3.58 2.37 0.00 2.53 3.68 -1.26 -4.77 116.67 115.64 1j1n s ASP 132 Ca 0.60 -0.45 0.00 0.00 2.13 0.00 0.00 52.55 54.83 1j1n s ASP 132 Cb -0.16 -0.73 0.00 0.00 -1.45 0.00 0.00 42.92 40.59 1j1n s ASP 132 CO 0.56 -0.19 0.00 0.61 0.13 0.00 0.00 175.17 176.28 1j1n n GLY 133 N 4.99 -2.39 1.13 2.66 0.00 -1.26 -4.38 105.19 105.94 1j1n n GLY 133 Ca -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1j1n n GLY 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j1n n VAL 134 N 2.41 0.81 -3.36 1.61 0.31 -1.26 -4.84 118.33 114.00 1j1n n VAL 134 Ca 0.00 0.27 -0.19 0.00 -0.01 0.00 0.00 64.34 64.40 1j1n n VAL 134 Cb 0.00 -1.46 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1j1n n VAL 134 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1j1n s VAL 135 N -2.00 3.99 0.00 2.52 -7.23 -1.26 -1.95 120.40 114.47 1j1n s VAL 135 Ca 0.00 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1j1n s VAL 135 Cb 0.00 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1j1n s VAL 135 CO 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 1j1n n ALA 136 N -1.73 0.49 -2.25 1.32 0.00 -1.26 -4.25 120.51 112.83 1j1n n ALA 136 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 1j1n n ALA 136 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1j1n n ALA 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j1n s ARG 137 N 0.51 3.37 0.28 0.00 0.52 -1.26 -3.17 118.95 119.20 1j1n s ARG 137 Ca 0.00 0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.18 1j1n s ARG 137 Cb 0.00 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.10 1j1n s ARG 137 CO 0.00 -0.31 0.53 0.20 0.02 0.00 0.00 175.30 175.74 1j1n s GLY 138 N -4.16 0.66 -0.07 -3.53 0.00 0.05 -4.85 107.32 95.43 1j1n s GLY 138 Ca 0.49 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 1j1n s GLY 138 CO 0.44 -0.63 0.43 -0.19 0.00 0.00 0.00 173.10 173.16 1j1n s TYR 139 N -3.63 3.60 -0.03 1.90 1.51 -1.26 -2.04 117.35 117.39 1j1n s TYR 139 Ca 0.22 0.91 0.04 0.00 -1.01 0.00 0.00 57.07 57.23 1j1n s TYR 139 Cb -0.01 -2.43 -0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1j1n s TYR 139 CO 0.11 0.37 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.72 1j1n s PHE 140 N -0.10 1.48 0.07 2.71 0.40 -0.46 -1.13 117.98 120.94 1j1n s PHE 140 Ca 0.24 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1j1n s PHE 140 Cb -0.16 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1j1n s PHE 140 CO 0.11 -0.12 -0.09 -1.50 0.70 0.00 0.00 175.22 174.32 1j1n s ILE 141 N -0.02 0.80 -0.64 0.64 2.07 -0.78 -1.57 121.20 121.70 1j1n s ILE 141 Ca -0.01 -1.44 -0.27 0.00 -1.41 0.00 0.00 60.65 57.52 1j1n s ILE 141 Cb -0.10 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.39 1j1n s ILE 141 CO 0.01 -0.49 1.56 -0.13 -1.91 0.00 0.00 174.94 173.98 1j1n s ARG 142 N -2.37 2.98 0.26 3.50 1.81 -0.44 -1.29 118.95 123.40 1j1n s ARG 142 Ca -0.00 0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.32 1j1n s ARG 142 Cb -0.05 -4.26 0.35 0.00 -0.45 0.00 0.00 34.95 30.54 1j1n s ARG 142 CO -0.00 -2.35 1.68 1.49 -0.68 0.00 0.00 175.30 175.44 1j1n h GLU 143 N 12.39 0.49 0.00 3.54 4.81 -0.82 -1.96 114.58 133.04 1j1n h GLU 143 Ca -0.27 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1j1n h GLU 143 Cb 1.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1j1n h GLU 143 CO 1.23 0.75 -0.19 0.38 -0.73 0.00 0.00 179.01 180.45 1j1n h ASP 144 N 0.43 0.00 0.08 1.04 -0.00 -1.81 -0.13 116.42 116.03 1j1n h ASP 144 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.82 1j1n h ASP 144 Cb 0.75 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 40.11 1j1n h ASP 144 CO 0.06 0.19 -1.09 -0.50 -0.00 0.00 0.00 179.24 177.90 1j1n h TRP 145 N 0.00 0.95 -0.41 4.15 4.06 -1.79 -2.25 115.95 120.65 1j1n h TRP 145 Ca -0.00 -0.57 0.02 0.00 2.06 0.00 0.00 58.89 60.39 1j1n h TRP 145 Cb 0.34 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1j1n h TRP 145 CO 0.00 1.41 0.25 -0.07 -3.56 0.00 0.00 178.44 176.47 1j1n h LEU 146 N 0.21 0.40 -0.26 -4.49 3.38 -0.85 -1.04 115.31 112.66 1j1n h LEU 146 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1j1n h LEU 146 Cb 1.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1j1n h LEU 146 CO 0.21 0.29 0.16 0.50 0.09 0.00 0.00 178.44 179.69 1j1n h LYS 147 N 0.50 0.35 -0.52 1.13 3.64 -1.07 0.10 116.57 120.70 1j1n h LYS 147 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1j1n h LYS 147 Cb -0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1j1n h LYS 147 CO -0.07 0.26 0.25 -0.22 -2.27 0.00 0.00 179.45 177.40 1j1n h LYS 148 N 0.33 0.72 -0.30 1.90 3.64 -1.13 -2.33 116.57 119.40 1j1n h LYS 148 Ca 0.09 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1j1n h LYS 148 Cb -0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1j1n h LYS 148 CO -0.02 0.56 0.00 1.28 -2.27 0.00 0.00 179.45 179.00 1j1n n LEU 149 N -4.38 2.26 -3.75 5.20 4.77 -0.42 -4.94 117.00 115.74 1j1n n LEU 149 Ca 0.04 -1.02 -0.26 0.00 -0.03 0.00 0.00 56.01 54.75 1j1n n LEU 149 Cb 0.12 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1j1n n LEU 149 CO 0.37 0.51 0.12 0.59 -1.33 0.00 0.00 177.39 177.65 1j1n n ASN 150 N 0.71 -4.45 -4.56 -1.43 3.02 -0.44 -4.99 115.26 103.11 1j1n n ASN 150 Ca 0.16 -0.70 -0.29 0.00 -0.03 0.00 0.00 54.58 53.71 1j1n n ASN 150 Cb 0.40 -4.34 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 1j1n n ASN 150 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j1n s LEU 151 N -7.12 2.99 0.21 3.41 1.43 0.23 -5.03 118.68 114.80 1j1n s LEU 151 Ca 0.48 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1j1n s LEU 151 Cb -0.23 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1j1n s LEU 151 CO 0.79 0.17 0.38 -0.54 0.23 0.00 0.00 176.35 177.38 1j1n s LYS 152 N -2.26 3.48 0.27 1.70 1.02 -1.26 -4.35 119.74 118.33 1j1n s LYS 152 Ca 0.21 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.39 1j1n s LYS 152 Cb -0.11 -2.86 -0.12 0.00 -0.52 0.00 0.00 37.83 34.22 1j1n s LYS 152 CO 0.13 0.41 1.54 -0.35 -0.92 0.00 0.00 175.35 176.16 1j1n n PRO 153 N -0.95 2.48 -1.79 -1.68 -0.04 -1.26 -4.87 135.00 126.88 1j1n n PRO 153 Ca -0.06 0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 1j1n n PRO 153 Cb 0.55 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 1j1n n PRO 153 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1j1n s PRO 154 N -0.36 4.16 0.04 0.54 0.04 -1.26 -4.92 135.00 133.25 1j1n s PRO 154 Ca 0.66 2.50 0.23 0.00 0.04 0.00 0.00 61.00 64.43 1j1n s PRO 154 Cb -0.55 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1j1n s PRO 154 CO 0.48 -0.79 0.94 1.04 0.04 0.00 0.00 177.00 178.70 1j1n n GLN 155 N 5.43 0.34 -4.04 4.56 1.13 -1.26 -4.59 117.38 118.95 1j1n n GLN 155 Ca 0.17 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 1j1n n GLN 155 Cb 0.39 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 29.10 1j1n n GLN 155 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1j1n s ASN 156 N -4.04 0.32 0.49 1.08 2.20 -1.26 -1.10 114.94 112.64 1j1n s ASN 156 Ca 0.02 -1.20 0.17 0.00 -0.94 0.00 0.00 52.86 50.91 1j1n s ASN 156 Cb 0.14 0.62 1.20 0.00 -2.00 0.00 0.00 41.25 41.21 1j1n s ASN 156 CO 0.82 -1.21 2.08 -0.29 -2.94 0.00 0.00 177.10 175.56 1j1n h ILE 157 N 2.21 1.01 -0.25 0.54 6.09 -1.30 0.17 117.51 125.98 1j1n h ILE 157 Ca -0.28 -0.31 -0.09 0.00 -1.37 0.00 0.00 64.86 62.82 1j1n h ILE 157 Cb 1.25 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 1j1n h ILE 157 CO 0.38 0.09 -0.18 0.44 -3.07 0.00 0.00 178.15 175.81 1j1n h ASP 158 N 0.00 0.59 0.46 2.19 3.45 -1.97 -2.04 116.42 119.10 1j1n h ASP 158 Ca -0.00 -0.45 -0.11 0.00 0.43 0.00 0.00 57.03 56.90 1j1n h ASP 158 Cb 0.16 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1j1n h ASP 158 CO 0.01 0.91 -0.50 -0.33 -1.57 0.00 0.00 179.24 177.76 1j1n h GLU 159 N 0.28 0.05 -0.43 3.56 5.08 -1.83 -2.58 114.58 118.70 1j1n h GLU 159 Ca 0.05 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1j1n h GLU 159 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1j1n h GLU 159 CO 0.05 0.54 0.09 1.25 -1.00 0.00 0.00 179.01 179.94 1j1n h LEU 160 N 0.04 0.67 -0.23 1.33 6.46 -0.81 -0.86 115.31 121.90 1j1n h LEU 160 Ca -0.00 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1j1n h LEU 160 Cb 0.90 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1j1n h LEU 160 CO 0.07 0.74 0.15 0.22 -0.62 0.00 0.00 178.44 179.00 1j1n h TYR 161 N 0.57 0.30 -0.73 1.25 5.03 -1.22 -0.69 116.97 121.48 1j1n h TYR 161 Ca 0.13 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.50 1j1n h TYR 161 Cb 0.34 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.46 1j1n h TYR 161 CO 0.02 0.20 0.43 1.15 -1.32 0.00 0.00 178.16 178.64 1j1n h THR 162 N 0.31 1.02 -0.24 1.81 2.02 -1.22 -0.70 112.91 115.91 1j1n h THR 162 Ca 0.09 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1j1n h THR 162 Cb -0.03 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1j1n h THR 162 CO -0.02 0.15 -0.07 0.58 0.37 0.00 0.00 175.52 176.52 1j1n h VAL 163 N 0.80 1.29 -0.35 3.16 2.07 -0.81 -1.66 116.25 120.75 1j1n h VAL 163 Ca 0.32 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1j1n h VAL 163 Cb 0.14 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1j1n h VAL 163 CO -0.16 0.34 -0.02 -0.07 0.02 0.00 0.00 177.57 177.68 1j1n h LEU 164 N 0.20 0.52 -0.76 2.57 3.38 -0.89 -0.66 115.31 119.67 1j1n h LEU 164 Ca 0.06 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1j1n h LEU 164 Cb 0.55 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1j1n h LEU 164 CO 0.03 0.60 0.09 0.11 0.09 0.00 0.00 178.44 179.36 1j1n h LYS 165 N 0.52 1.04 -0.58 1.13 1.79 -1.02 -1.42 116.57 118.03 1j1n h LYS 165 Ca 0.11 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 1j1n h LYS 165 Cb 0.37 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1j1n h LYS 165 CO 0.01 0.96 0.07 0.00 -1.08 0.00 0.00 179.45 179.42 1j1n h ALA 166 N 1.12 0.77 -0.83 3.86 0.00 -0.49 -0.83 119.26 122.86 1j1n h ALA 166 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1j1n h ALA 166 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1j1n h ALA 166 CO 0.01 0.54 0.50 0.74 0.00 0.00 0.00 179.25 181.04 1j1n h PHE 167 N 0.87 1.10 -0.35 0.00 0.04 -0.77 0.12 116.94 117.95 1j1n h PHE 167 Ca 0.17 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 1j1n h PHE 167 Cb 0.45 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1j1n h PHE 167 CO 0.03 0.74 -0.18 -0.22 -0.60 0.00 0.00 178.31 178.08 1j1n h LYS 168 N 1.15 0.74 0.00 1.51 1.63 -0.97 -3.37 116.57 117.25 1j1n h LYS 168 Ca 0.30 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1j1n h LYS 168 Cb -0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1j1n h LYS 168 CO -0.06 0.94 -1.29 0.39 -3.45 0.00 0.00 179.45 175.99 1j1n n GLU 169 N -4.30 0.65 -0.74 1.90 1.02 -0.34 -4.60 120.64 114.21 1j1n n GLU 169 Ca -0.02 -0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1j1n n GLU 169 Cb 0.41 -1.43 0.37 0.00 -0.02 0.00 0.00 31.44 30.77 1j1n n GLU 169 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j1n n LYS 170 N -1.74 4.27 -3.92 3.49 5.02 0.42 -4.99 118.16 120.72 1j1n n LYS 170 Ca 0.01 -3.03 -0.31 0.00 -2.02 0.00 0.00 58.31 52.96 1j1n n LYS 170 Cb 0.38 -2.09 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1j1n n LYS 170 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j1n n ASP 171 N 0.53 -2.27 0.29 4.39 4.64 -1.26 -4.87 116.55 118.00 1j1n n ASP 171 Ca 0.26 -1.08 0.16 0.00 -1.38 0.00 0.00 54.79 52.75 1j1n n ASP 171 Cb 1.07 -2.84 0.88 0.00 -1.04 0.00 0.00 41.12 39.19 1j1n n ASP 171 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1j1n h PRO 172 N -1.96 0.00 -0.01 -0.67 0.13 -1.86 -0.42 132.00 127.21 1j1n h PRO 172 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1j1n h PRO 172 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1j1n h PRO 172 CO 0.57 0.05 -0.01 0.27 -0.23 0.00 0.00 178.00 178.66 1j1n n ASN 173 N -3.59 0.61 -2.97 1.44 0.23 -1.26 -4.94 115.26 104.78 1j1n n ASN 173 Ca -0.02 -1.17 -0.22 0.00 -0.53 0.00 0.00 54.58 52.64 1j1n n ASN 173 Cb 0.16 -0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.88 1j1n n ASN 173 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j1n n GLY 174 N 1.08 -0.51 1.00 4.83 0.00 -0.17 -4.91 105.19 106.51 1j1n n GLY 174 Ca 0.22 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.44 1j1n n GLY 174 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j1n n ASN 175 N -2.39 3.23 -0.22 1.61 0.23 -1.26 -4.95 115.26 111.52 1j1n n ASN 175 Ca -0.12 -1.93 -0.03 0.00 -0.53 0.00 0.00 54.58 51.98 1j1n n ASN 175 Cb 0.62 -0.24 -0.01 0.00 -2.08 0.00 0.00 39.78 38.07 1j1n n ASN 175 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j1n n GLY 176 N 1.23 0.59 3.25 4.83 0.00 -1.26 -5.02 105.19 108.82 1j1n n GLY 176 Ca 0.17 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1j1n n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1n s LYS 177 N -1.49 1.30 -1.29 1.61 1.02 -1.26 -5.04 119.74 114.59 1j1n s LYS 177 Ca 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.90 1j1n s LYS 177 Cb 0.00 -1.45 0.16 0.00 -0.52 0.00 0.00 37.83 36.02 1j1n s LYS 177 CO 0.00 0.36 1.88 0.00 -0.92 0.00 0.00 175.35 176.67 1j1n n ALA 178 N 1.66 5.30 0.47 5.17 0.00 -1.26 -4.53 120.51 127.32 1j1n n ALA 178 Ca -0.18 -4.28 0.05 0.00 0.00 0.00 0.00 53.44 49.04 1j1n n ALA 178 Cb 0.53 -3.03 0.01 0.00 0.00 0.00 0.00 19.45 16.96 1j1n n ALA 178 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j1n n ASP 179 N 4.16 1.45 -4.77 0.00 3.85 -1.26 -5.02 116.55 114.96 1j1n n ASP 179 Ca 0.41 -1.22 -0.39 0.00 -0.71 0.00 0.00 54.79 52.87 1j1n n ASP 179 Cb 0.37 0.34 -0.01 0.00 -1.35 0.00 0.00 41.12 40.46 1j1n n ASP 179 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1j1n s GLU 180 N -1.28 4.00 -0.34 0.11 8.01 -1.26 -4.89 118.70 123.05 1j1n s GLU 180 Ca 0.10 2.05 0.03 0.00 0.01 0.00 0.00 54.97 57.15 1j1n s GLU 180 Cb 0.09 -2.74 0.10 0.00 -4.31 0.00 0.00 34.13 27.27 1j1n s GLU 180 CO 0.23 -0.43 0.07 0.08 0.01 0.00 0.00 175.26 175.23 1j1n s VAL 181 N -1.31 1.95 0.11 2.63 1.01 0.81 -4.75 120.40 120.85 1j1n s VAL 181 Ca 0.57 -2.17 -0.25 0.00 0.00 0.00 0.00 61.98 60.13 1j1n s VAL 181 Cb -0.36 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1j1n s VAL 181 CO 0.45 -0.63 1.41 -0.65 0.00 0.00 0.00 175.10 175.69 1j1n h PRO 182 N 7.67 -0.19 -5.28 2.72 0.11 -1.78 -3.12 132.00 132.13 1j1n h PRO 182 Ca -0.06 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.42 1j1n h PRO 182 Cb 1.01 0.04 -0.23 0.00 0.11 0.00 0.00 31.00 31.94 1j1n h PRO 182 CO 0.51 -0.13 -0.68 0.12 -0.21 0.00 0.00 178.00 177.62 1j1n s PHE 183 N -4.97 2.99 0.10 0.65 2.19 -0.32 0.02 117.98 118.65 1j1n s PHE 183 Ca -0.10 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 56.80 1j1n s PHE 183 Cb 0.07 -1.95 -0.04 0.00 -1.31 0.00 0.00 43.02 39.79 1j1n s PHE 183 CO 0.47 -0.09 -0.07 0.96 1.83 0.00 0.00 175.22 178.32 1j1n s ILE 184 N 0.43 0.72 -0.28 3.12 -5.25 -0.68 -1.56 121.20 117.69 1j1n s ILE 184 Ca -0.05 -1.93 -0.21 0.00 -0.99 0.00 0.00 60.65 57.47 1j1n s ILE 184 Cb -0.14 -1.68 0.12 0.00 2.95 0.00 0.00 42.46 43.71 1j1n s ILE 184 CO 0.03 -0.86 0.94 -0.62 -1.79 0.00 0.00 174.94 172.65 1j1n s ASP 185 N -3.03 -0.55 0.23 4.36 -1.08 -1.26 -4.31 116.67 111.03 1j1n s ASP 185 Ca 0.12 0.98 0.24 0.00 -0.52 0.00 0.00 52.55 53.37 1j1n s ASP 185 Cb 0.05 1.10 0.93 0.00 -1.46 0.00 0.00 42.92 43.53 1j1n s ASP 185 CO -0.04 -0.16 1.73 -2.11 0.52 0.00 0.00 175.17 175.10 1j1n n ARG 186 N 2.96 0.20 -3.79 4.34 1.85 -1.26 -4.39 116.66 116.57 1j1n n ARG 186 Ca -0.15 0.35 -0.37 0.00 -1.00 0.00 0.00 57.85 56.68 1j1n n ARG 186 Cb 0.57 -1.83 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 1j1n n ARG 186 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1j1n s HIS 187 N -3.24 3.24 0.34 2.89 3.76 -1.26 -3.66 115.29 117.35 1j1n s HIS 187 Ca 0.06 -1.48 0.09 0.00 -0.15 0.00 0.00 55.06 53.58 1j1n s HIS 187 Cb 0.10 -2.23 0.83 0.00 1.11 0.00 0.00 32.58 32.39 1j1n s HIS 187 CO 0.45 -0.73 1.80 -1.35 -0.85 0.00 0.00 174.74 174.06 1j1n h PRO 188 N 8.17 0.65 -0.08 8.40 0.11 -1.77 -1.18 132.00 146.30 1j1n h PRO 188 Ca -0.24 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.86 1j1n h PRO 188 Cb 1.08 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1j1n h PRO 188 CO 0.59 0.43 0.23 -0.44 -0.21 0.00 0.00 178.00 178.60 1j1n h ASP 189 N 0.67 0.00 0.65 -2.05 5.19 -1.93 -0.89 116.42 118.06 1j1n h ASP 189 Ca 0.54 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1j1n h ASP 189 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1j1n h ASP 189 CO -0.31 0.00 0.00 -0.33 -3.12 0.00 0.00 179.24 175.48 1j1n h GLU 190 N 0.00 0.00 -0.06 3.56 4.39 -1.61 -2.07 114.58 118.79 1j1n h GLU 190 Ca 0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1j1n h GLU 190 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1j1n h GLU 190 CO -0.00 0.00 -0.29 -0.24 -1.16 0.00 0.00 179.01 177.32 1j1n h VAL 191 N 0.00 1.23 0.00 3.13 3.04 -1.35 -2.42 116.25 119.88 1j1n h VAL 191 Ca 0.00 -1.09 -0.19 0.00 -1.01 0.00 0.00 66.70 64.41 1j1n h VAL 191 Cb 0.32 1.51 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1j1n h VAL 191 CO 0.00 0.32 -0.91 -0.26 -1.01 0.00 0.00 177.57 175.71 1j1n h PHE 192 N 0.10 0.00 0.00 3.17 -1.00 -1.57 -3.01 116.94 114.62 1j1n h PHE 192 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1j1n h PHE 192 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1j1n h PHE 192 CO 0.00 0.91 0.00 -2.13 -1.61 0.00 0.00 178.31 175.48 1j1n n ARG 193 N -3.35 0.08 0.28 1.51 0.63 -0.92 -1.81 116.66 113.08 1j1n n ARG 193 Ca 0.00 0.41 0.19 0.00 -0.92 0.00 0.00 57.85 57.53 1j1n n ARG 193 Cb 0.90 -1.67 0.86 0.00 0.45 0.00 0.00 32.46 33.00 1j1n n ARG 193 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1j1n h LEU 194 N 0.00 0.00 -1.14 6.15 3.38 -1.39 -2.03 115.31 120.28 1j1n h LEU 194 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j1n h LEU 194 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1j1n h LEU 194 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 1j1n n VAL 195 N -2.98 1.00 0.24 1.22 0.24 -0.75 -1.47 118.33 115.82 1j1n n VAL 195 Ca -0.01 0.56 0.10 0.00 -2.04 0.00 0.00 64.34 62.95 1j1n n VAL 195 Cb 0.20 -1.54 0.67 0.00 -1.47 0.00 0.00 33.84 31.70 1j1n n VAL 195 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1j1n h ASN 196 N 0.00 0.00 0.43 -1.34 2.35 -1.16 -0.31 115.58 115.55 1j1n h ASN 196 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j1n h ASN 196 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1j1n h ASN 196 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1j1n n PHE 197 N -4.47 0.00 -1.37 1.19 3.72 -0.54 -1.69 117.46 114.30 1j1n n PHE 197 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 1j1n n PHE 197 Cb 0.14 -0.46 0.18 0.00 -0.94 0.00 0.00 39.48 38.40 1j1n n PHE 197 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1j1n n TRP 198 N -1.46 0.10 -1.11 1.38 8.01 -0.16 -1.10 117.44 123.10 1j1n n TRP 198 Ca 0.04 -1.30 -0.04 0.00 -1.31 0.00 0.00 57.50 54.89 1j1n n TRP 198 Cb 0.15 -0.23 -0.02 0.00 -2.01 0.00 0.00 31.31 29.21 1j1n n TRP 198 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j1n n GLY 199 N -1.22 0.65 3.59 6.99 0.00 -0.68 -4.79 105.19 109.73 1j1n n GLY 199 Ca 0.19 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1j1n n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1n s ALA 200 N -1.98 3.01 0.51 4.61 0.00 -1.01 -5.00 121.76 121.90 1j1n s ALA 200 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1j1n s ALA 200 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.79 1j1n s ALA 200 CO 0.00 0.57 0.95 1.03 0.00 0.00 0.00 175.76 178.31 1j1n s ARG 201 N -0.80 3.89 -0.01 0.00 1.81 -1.26 -2.74 118.95 119.85 1j1n s ARG 201 Ca 0.12 0.86 0.02 0.00 -1.72 0.00 0.00 55.73 55.01 1j1n s ARG 201 Cb -0.11 -2.17 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 1j1n s ARG 201 CO 0.02 -0.26 0.04 -1.13 -0.68 0.00 0.00 175.30 173.29 1j1n n SER 202 N -1.64 4.50 -3.53 0.23 3.41 -1.26 -4.66 113.62 110.67 1j1n n SER 202 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1j1n n SER 202 Cb 0.54 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 65.43 1j1n n SER 202 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j1n s SER 203 N -2.45 -0.49 0.00 4.04 0.15 -1.26 -3.86 113.70 109.83 1j1n s SER 203 Ca -0.01 0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.34 1j1n s SER 203 Cb 0.01 0.43 1.18 0.00 -1.71 0.00 0.00 66.02 65.93 1j1n s SER 203 CO 0.09 -0.54 1.82 0.61 1.20 0.00 0.00 173.24 176.42 1j1n n GLY 204 N 0.54 -0.36 0.23 9.45 0.00 -0.64 -4.87 105.19 109.53 1j1n n GLY 204 Ca -0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 1j1n n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j1n n SER 205 N -0.27 -0.14 0.00 1.61 3.41 -1.26 -0.44 113.62 116.53 1j1n n SER 205 Ca 0.18 -1.10 0.07 0.00 -0.26 0.00 0.00 58.87 57.77 1j1n n SER 205 Cb 0.30 0.23 0.34 0.00 -0.26 0.00 0.00 64.21 64.82 1j1n n SER 205 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1j1n n ASP 206 N -1.03 0.00 -4.65 4.04 4.64 -1.26 -4.44 116.55 113.84 1j1n n ASP 206 Ca -0.01 0.44 -0.39 0.00 -1.38 0.00 0.00 54.79 53.46 1j1n n ASP 206 Cb 0.04 -0.47 -0.07 0.00 -1.04 0.00 0.00 41.12 39.57 1j1n n ASP 206 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 1j1n s ASN 207 N -2.95 6.46 0.55 1.67 -0.87 -1.26 -5.02 114.94 113.53 1j1n s ASN 207 Ca 0.08 0.55 -0.22 0.00 -1.57 0.00 0.00 52.86 51.70 1j1n s ASN 207 Cb 0.10 -2.26 -0.05 0.00 -0.02 0.00 0.00 41.25 39.03 1j1n s ASN 207 CO 0.27 -0.15 1.37 -1.22 -2.57 0.00 0.00 177.10 174.80 1j1n n TYR 208 N 4.82 2.32 -3.05 2.20 4.02 -1.26 -3.06 117.16 123.15 1j1n n TYR 208 Ca -0.07 0.43 -0.23 0.00 -0.01 0.00 0.00 57.90 58.03 1j1n n TYR 208 Cb 0.51 -2.36 0.03 0.00 -0.02 0.00 0.00 39.34 37.49 1j1n n TYR 208 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1j1n n MET 209 N -1.09 -4.74 -2.91 -0.72 2.81 -1.25 -4.98 117.12 104.23 1j1n n MET 209 Ca 0.11 0.87 -0.28 0.00 -1.81 0.00 0.00 57.70 56.59 1j1n n MET 209 Cb 0.45 -5.72 -0.01 0.00 -0.71 0.00 0.00 33.22 27.22 1j1n n MET 209 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1j1n s ASP 210 N -2.70 6.35 0.90 7.83 3.68 -1.17 -4.93 116.67 126.63 1j1n s ASP 210 Ca 0.31 0.86 -0.12 0.00 2.13 0.00 0.00 52.55 55.73 1j1n s ASP 210 Cb -0.14 -2.21 0.13 0.00 -1.45 0.00 0.00 42.92 39.25 1j1n s ASP 210 CO 0.38 -0.43 1.10 -0.36 0.13 0.00 0.00 175.17 175.99 1j1n s PHE 211 N -2.49 2.44 0.19 -5.34 0.40 -1.26 -1.62 117.98 110.30 1j1n s PHE 211 Ca 0.46 1.08 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1j1n s PHE 211 Cb -0.10 -3.22 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 1j1n s PHE 211 CO 0.38 -2.34 0.32 1.52 0.70 0.00 0.00 175.22 175.80 1j1n s TYR 212 N -3.07 0.45 -0.15 0.36 1.13 -0.64 -3.06 117.35 112.36 1j1n s TYR 212 Ca 0.63 -0.80 -0.03 0.00 -1.41 0.00 0.00 57.07 55.47 1j1n s TYR 212 Cb -0.16 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1j1n s TYR 212 CO 0.56 -0.79 -0.06 0.42 -2.51 0.00 0.00 175.55 173.17 1j1n s ILE 213 N -4.00 3.69 -0.26 -3.49 -1.09 -1.26 -1.13 121.20 113.67 1j1n s ILE 213 Ca 0.20 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 1j1n s ILE 213 Cb 0.03 -2.60 0.07 0.00 -1.58 0.00 0.00 42.46 38.38 1j1n s ILE 213 CO 0.03 0.50 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.62 1j1n s ASP 214 N 0.33 3.97 -1.30 3.58 2.15 -0.08 -4.80 116.67 120.52 1j1n s ASP 214 Ca -0.06 -1.39 -0.02 0.00 0.43 0.00 0.00 52.55 51.52 1j1n s ASP 214 Cb -0.15 -1.16 -0.00 0.00 -0.30 0.00 0.00 42.92 41.31 1j1n s ASP 214 CO 0.04 -0.29 0.67 0.59 -0.17 0.00 0.00 175.17 176.00 1j1n n ASN 215 N 4.66 -1.48 0.00 -0.34 5.03 -1.26 -1.53 115.26 120.33 1j1n n ASN 215 Ca -0.08 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.52 1j1n n ASN 215 Cb 0.44 -3.90 0.00 0.00 -1.02 0.00 0.00 39.78 35.30 1j1n n ASN 215 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j1n n GLY 216 N -1.63 0.65 3.45 7.41 0.00 -1.26 -5.00 105.19 108.80 1j1n n GLY 216 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1j1n n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j1n s ARG 217 N -0.32 3.59 0.02 1.61 1.81 -0.58 -4.94 118.95 120.13 1j1n s ARG 217 Ca 0.00 -0.55 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 1j1n s ARG 217 Cb 0.00 -2.92 -0.04 0.00 -0.45 0.00 0.00 34.95 31.54 1j1n s ARG 217 CO 0.00 0.15 1.14 0.08 -0.68 0.00 0.00 175.30 175.98 1j1n s VAL 218 N 0.61 4.31 0.10 3.52 1.01 -1.26 -0.90 120.40 127.78 1j1n s VAL 218 Ca -0.03 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.61 1j1n s VAL 218 Cb -0.14 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1j1n s VAL 218 CO 0.03 0.10 -0.04 -0.54 0.00 0.00 0.00 175.10 174.65 1j1n s LYS 219 N 1.32 0.83 -0.18 2.72 1.02 -0.28 -4.97 119.74 120.20 1j1n s LYS 219 Ca 0.56 -1.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1j1n s LYS 219 Cb -0.26 -0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1j1n s LYS 219 CO 0.27 -0.08 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.93 1j1n s HIS 220 N -3.74 2.86 0.30 3.18 5.65 -1.26 -1.62 115.29 120.66 1j1n s HIS 220 Ca 0.14 -1.03 0.06 0.00 0.25 0.00 0.00 55.06 54.47 1j1n s HIS 220 Cb 0.06 -1.98 0.79 0.00 -1.18 0.00 0.00 32.58 30.28 1j1n s HIS 220 CO -0.04 -0.52 1.69 -1.35 -0.65 0.00 0.00 174.74 173.87 1j1n h PRO 221 N 7.65 0.36 0.00 2.88 0.11 -1.86 -1.48 132.00 139.66 1j1n h PRO 221 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1j1n h PRO 221 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j1n h PRO 221 CO 0.60 0.24 0.00 0.91 -0.21 0.00 0.00 178.00 179.53 1j1n n TRP 222 N -5.06 0.00 1.00 0.65 7.02 -1.26 -2.74 117.44 117.05 1j1n n TRP 222 Ca 0.24 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.82 1j1n n TRP 222 Cb 0.72 -0.27 -0.09 0.00 -2.42 0.00 0.00 31.31 29.24 1j1n n TRP 222 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1j1n n ALA 223 N -1.27 4.63 -1.97 6.99 0.00 -0.56 -4.91 120.51 123.43 1j1n n ALA 223 Ca 0.10 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1j1n n ALA 223 Cb 0.16 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1j1n n ALA 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j1n s GLU 224 N -2.96 4.16 0.53 0.00 0.41 -1.11 -4.97 118.70 114.76 1j1n s GLU 224 Ca 0.09 0.93 0.25 0.00 -0.41 0.00 0.00 54.97 55.82 1j1n s GLU 224 Cb 0.16 -2.38 1.46 0.00 -1.78 0.00 0.00 34.13 31.60 1j1n s GLU 224 CO 0.84 0.10 2.12 1.79 -0.49 0.00 0.00 175.26 179.62 1j1n h THR 225 N 2.04 0.70 -0.41 3.63 1.35 -1.94 -1.27 112.91 117.02 1j1n h THR 225 Ca -0.48 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1j1n h THR 225 Cb 1.18 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1j1n h THR 225 CO 0.63 0.09 0.20 0.00 -0.25 0.00 0.00 175.52 176.20 1j1n h ALA 226 N 1.91 1.60 -0.42 6.62 0.00 -1.93 -1.84 119.26 125.20 1j1n h ALA 226 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1j1n h ALA 226 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j1n h ALA 226 CO 0.01 0.33 -0.17 0.35 0.00 0.00 0.00 179.25 179.77 1j1n h PHE 227 N 0.56 0.99 0.01 0.00 3.04 -1.46 -0.95 116.94 119.13 1j1n h PHE 227 Ca 0.14 -0.24 0.02 0.00 3.98 0.00 0.00 57.97 61.87 1j1n h PHE 227 Cb 0.05 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1j1n h PHE 227 CO 0.00 1.01 -0.11 -0.09 -2.02 0.00 0.00 178.31 177.10 1j1n h ARG 228 N 0.68 -0.19 -0.84 1.11 2.43 -1.31 0.11 114.38 116.37 1j1n h ARG 228 Ca 0.10 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1j1n h ARG 228 Cb 0.73 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1j1n h ARG 228 CO 0.06 -0.12 0.42 -0.44 -1.51 0.00 0.00 179.97 178.37 1j1n h ASP 229 N -0.19 1.08 -0.23 -3.80 3.32 -1.29 -2.64 116.42 112.67 1j1n h ASP 229 Ca 0.04 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 1j1n h ASP 229 Cb 0.24 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1j1n h ASP 229 CO -0.10 0.90 -0.29 1.23 -1.72 0.00 0.00 179.24 179.26 1j1n h GLY 230 N 1.21 0.79 2.00 2.75 0.00 -0.80 -3.04 103.07 105.98 1j1n h GLY 230 Ca 0.29 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1j1n h GLY 230 CO -0.04 0.65 -0.23 -0.33 0.00 0.00 0.00 176.54 176.59 1j1n h MET 231 N 0.62 0.00 -0.39 4.80 2.86 -0.45 -1.86 114.93 120.52 1j1n h MET 231 Ca 0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1j1n h MET 231 Cb 0.80 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1j1n h MET 231 CO 0.07 0.23 -0.03 0.87 1.06 0.00 0.00 176.91 179.11 1j1n h LYS 232 N 0.00 0.63 -0.15 1.72 1.57 -1.37 0.31 116.57 119.28 1j1n h LYS 232 Ca -0.00 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1j1n h LYS 232 Cb 0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1j1n h LYS 232 CO 0.03 0.67 -0.18 0.45 -0.57 0.00 0.00 179.45 179.85 1j1n h HIS 233 N 0.59 0.47 -0.88 -1.35 3.86 -1.41 -2.26 115.15 114.18 1j1n h HIS 233 Ca 0.12 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1j1n h HIS 233 Cb 0.42 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1j1n h HIS 233 CO 0.02 0.80 0.45 0.28 0.86 0.00 0.00 177.93 180.34 1j1n h VAL 234 N 0.02 1.26 -0.93 2.45 2.07 -1.17 -1.18 116.25 118.77 1j1n h VAL 234 Ca 0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1j1n h VAL 234 Cb 0.73 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1j1n h VAL 234 CO 0.04 0.31 0.54 0.00 0.02 0.00 0.00 177.57 178.47 1j1n h ALA 235 N 1.25 1.19 -0.49 1.67 0.00 -0.90 -1.35 119.26 120.63 1j1n h ALA 235 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1j1n h ALA 235 Cb 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1j1n h ALA 235 CO -0.04 0.67 0.10 0.37 0.00 0.00 0.00 179.25 180.35 1j1n h GLN 236 N 1.29 0.80 -0.77 0.00 5.75 -0.77 -0.88 115.11 120.54 1j1n h GLN 236 Ca 0.33 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1j1n h GLN 236 Cb -0.02 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1j1n h GLN 236 CO -0.06 0.79 0.43 -1.49 -2.65 0.00 0.00 178.83 175.85 1j1n h TRP 237 N 0.68 1.03 -0.37 3.99 4.06 -0.78 -0.21 115.95 124.36 1j1n h TRP 237 Ca 0.15 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.95 1j1n h TRP 237 Cb 0.36 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1j1n h TRP 237 CO 0.02 0.71 -0.32 -0.92 -3.56 0.00 0.00 178.44 174.38 1j1n h TYR 238 N 1.07 1.02 -0.81 0.49 5.03 -0.98 -0.07 116.97 122.72 1j1n h TYR 238 Ca 0.27 -0.29 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1j1n h TYR 238 Cb 0.01 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.03 1j1n h TYR 238 CO 0.01 1.09 0.48 -0.22 -1.32 0.00 0.00 178.16 178.20 1j1n h LYS 239 N 0.66 1.10 -0.00 1.82 3.64 -0.62 -1.40 116.57 121.77 1j1n h LYS 239 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1j1n h LYS 239 Cb 0.90 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1j1n h LYS 239 CO 0.08 0.77 -0.01 0.39 -2.27 0.00 0.00 179.45 178.42 1j1n n GLU 240 N -4.37 0.84 -1.02 1.90 1.02 -0.14 -4.91 120.64 113.96 1j1n n GLU 240 Ca 0.09 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 1j1n n GLU 240 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1j1n n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j1n n GLY 241 N 1.11 0.49 0.22 0.62 0.00 -0.53 -4.90 105.19 102.19 1j1n n GLY 241 Ca 0.20 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1j1n n GLY 241 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j1n h LEU 242 N 0.00 0.00 -8.84 0.99 3.38 -1.24 -3.42 115.31 106.17 1j1n h LEU 242 Ca -0.02 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.29 1j1n h LEU 242 Cb 0.10 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.62 1j1n h LEU 242 CO 0.02 0.00 -0.72 -0.63 0.09 0.00 0.00 178.44 177.20 1j1n s ILE 243 N -3.36 3.42 -0.28 1.22 1.01 -1.22 -1.17 121.20 120.82 1j1n s ILE 243 Ca 0.05 -0.55 -0.43 0.00 0.00 0.00 0.00 60.65 59.73 1j1n s ILE 243 Cb 0.08 -2.43 -0.18 0.00 0.01 0.00 0.00 42.46 39.93 1j1n s ILE 243 CO 0.60 0.55 1.53 -0.67 0.00 0.00 0.00 174.94 176.94 1j1n n ASP 244 N 3.00 1.42 0.02 3.58 4.64 -0.60 -4.81 116.55 123.79 1j1n n ASP 244 Ca -0.18 1.14 0.08 0.00 -1.38 0.00 0.00 54.79 54.46 1j1n n ASP 244 Cb 0.53 -1.00 0.50 0.00 -1.04 0.00 0.00 41.12 40.10 1j1n n ASP 244 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1j1n h LYS 245 N 5.31 0.37 -0.87 -0.67 3.64 -1.91 -1.47 116.57 120.96 1j1n h LYS 245 Ca -0.46 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 58.57 1j1n h LYS 245 Cb 1.36 -0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.90 1j1n h LYS 245 CO 0.90 0.25 0.41 0.39 -2.27 0.00 0.00 179.45 179.12 1j1n n GLU 246 N -4.48 2.96 -0.12 1.90 1.02 -1.26 -4.62 120.64 116.04 1j1n n GLU 246 Ca 0.05 -2.82 0.17 0.00 -0.02 0.00 0.00 57.16 54.54 1j1n n GLU 246 Cb 0.20 -2.13 0.57 0.00 -0.02 0.00 0.00 31.44 30.06 1j1n n GLU 246 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1j1n h ILE 247 N 1.83 0.77 0.00 -3.67 -0.00 -1.62 0.62 117.51 115.43 1j1n h ILE 247 Ca 0.40 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 65.16 1j1n h ILE 247 Cb 2.45 0.46 0.00 0.00 -0.00 0.00 0.00 36.82 39.73 1j1n h ILE 247 CO 0.84 0.05 -0.17 0.49 -0.00 0.00 0.00 178.15 179.36 1j1n n PHE 248 N -4.44 0.43 0.00 2.19 3.01 -1.26 -4.17 117.46 113.22 1j1n n PHE 248 Ca 0.13 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1j1n n PHE 248 Cb 0.57 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1j1n n PHE 248 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1j1n n THR 249 N -1.88 0.00 0.26 4.37 -2.24 -0.56 -4.83 114.28 109.40 1j1n n THR 249 Ca 0.06 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1j1n n THR 249 Cb 0.39 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1j1n n THR 249 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1j1n h ARG 250 N 0.00 -0.84 0.00 -0.78 2.43 -1.13 -3.46 114.38 110.60 1j1n h ARG 250 Ca 0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1j1n h ARG 250 Cb 0.33 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1j1n h ARG 250 CO 0.00 -0.56 0.00 1.63 -1.51 0.00 0.00 179.97 179.53 1j1n n LYS 251 N -5.52 0.00 -0.04 0.20 5.02 -1.26 -4.44 118.16 112.13 1j1n n LYS 251 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.17 1j1n n LYS 251 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.41 1j1n n LYS 251 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j1n n ALA 252 N 10.27 -0.06 -1.02 7.82 0.00 -1.24 -0.69 120.51 135.59 1j1n n ALA 252 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 1j1n n ALA 252 Cb 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 19.45 19.64 1j1n n ALA 252 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j1n n LYS 253 N -4.01 2.53 -0.35 0.00 5.02 -1.26 -4.60 118.16 115.48 1j1n n LYS 253 Ca 0.00 -2.81 0.04 0.00 -2.02 0.00 0.00 58.31 53.53 1j1n n LYS 253 Cb 0.03 -2.11 0.21 0.00 -0.02 0.00 0.00 35.03 33.13 1j1n n LYS 253 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j1n h ALA 254 N 1.50 1.47 -0.09 7.82 0.00 -1.17 -0.57 119.26 128.21 1j1n h ALA 254 Ca 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1j1n h ALA 254 Cb 2.61 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 20.13 1j1n h ALA 254 CO 0.94 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 180.53 1j1n h ARG 255 N 1.09 0.17 -0.73 0.00 3.08 -1.83 0.11 114.38 116.27 1j1n h ARG 255 Ca 0.45 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.45 1j1n h ARG 255 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1j1n h ARG 255 CO -0.20 0.49 0.48 0.93 -1.07 0.00 0.00 179.97 180.60 1j1n h GLU 256 N -0.15 0.93 0.45 0.04 3.07 -1.82 0.88 114.58 117.97 1j1n h GLU 256 Ca 0.02 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1j1n h GLU 256 Cb 0.42 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1j1n h GLU 256 CO 0.01 0.62 -0.22 1.96 -1.40 0.00 0.00 179.01 179.98 1j1n h GLN 257 N 0.96 -0.59 0.03 2.33 4.20 -1.04 -1.72 115.11 119.28 1j1n h GLN 257 Ca 0.28 0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.79 1j1n h GLN 257 Cb -0.06 0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1j1n h GLN 257 CO -0.08 -0.29 -1.03 0.52 -0.67 0.00 0.00 178.83 177.29 1j1n h MET 258 N -1.00 0.41 0.22 1.46 2.86 -0.78 -1.02 114.93 117.07 1j1n h MET 258 Ca -0.06 -0.49 -0.34 0.00 -2.06 0.00 0.00 59.70 56.75 1j1n h MET 258 Cb 0.57 0.15 0.02 0.00 0.06 0.00 0.00 31.60 32.41 1j1n h MET 258 CO 0.10 1.16 -1.56 0.74 1.06 0.00 0.00 176.91 178.40 1j1n h PHE 259 N 0.21 0.83 -0.16 -0.22 0.05 -0.97 0.26 116.94 116.94 1j1n h PHE 259 Ca -0.10 -0.60 -0.06 0.00 3.82 0.00 0.00 57.97 61.02 1j1n h PHE 259 Cb 1.68 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 39.59 1j1n h PHE 259 CO 0.07 1.57 -0.19 0.78 -0.18 0.00 0.00 178.31 180.36 1j1n h GLY 260 N 0.55 0.29 -0.67 -1.45 0.00 -1.24 -1.73 103.07 98.82 1j1n h GLY 260 Ca -0.28 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1j1n h GLY 260 CO 0.23 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1j1n n GLY 261 N -0.69 0.16 3.64 4.60 0.00 -0.39 -4.86 105.19 107.65 1j1n n GLY 261 Ca -0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1j1n n GLY 261 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j1n n ASN 262 N 0.22 -2.71 -0.03 1.61 5.15 -0.65 -4.92 115.26 113.93 1j1n n ASN 262 Ca 0.16 -0.72 -0.03 0.00 -0.60 0.00 0.00 54.58 53.39 1j1n n ASN 262 Cb 0.31 -4.48 -0.03 0.00 -0.53 0.00 0.00 39.78 35.05 1j1n n ASN 262 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1j1n n LEU 263 N -4.40 1.25 -4.82 1.20 4.77 0.79 -4.79 117.00 110.99 1j1n n LEU 263 Ca -0.20 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.40 1j1n n LEU 263 Cb 0.64 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1j1n n LEU 263 CO 0.67 0.32 0.33 -0.83 -1.33 0.00 0.00 177.39 176.56 1j1n s GLY 264 N -4.02 2.59 0.00 -0.72 0.00 -0.36 -0.13 107.32 104.67 1j1n s GLY 264 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1j1n s GLY 264 CO 0.18 0.40 0.10 0.61 0.00 0.00 0.00 173.10 174.39 1j1n n GLY 265 N 0.97 0.52 3.53 0.20 0.00 -0.89 -4.80 105.19 104.72 1j1n n GLY 265 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1j1n n GLY 265 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j1n s PHE 266 N -0.59 -0.68 0.22 1.61 2.19 0.10 -1.33 117.98 119.50 1j1n s PHE 266 Ca 0.00 1.67 -0.18 0.00 0.33 0.00 0.00 56.93 58.74 1j1n s PHE 266 Cb 0.00 0.24 0.03 0.00 -1.31 0.00 0.00 43.02 41.97 1j1n s PHE 266 CO 0.00 -0.33 0.58 -0.08 1.83 0.00 0.00 175.22 177.22 1j1n s THR 267 N 0.34 0.01 -0.28 0.12 -1.32 -0.61 -1.69 115.64 112.22 1j1n s THR 267 Ca -0.00 -0.85 0.02 0.00 -1.21 0.00 0.00 61.69 59.65 1j1n s THR 267 Cb -0.04 -1.72 0.08 0.00 -1.51 0.00 0.00 72.50 69.30 1j1n s THR 267 CO 0.01 -0.06 -0.02 -2.28 -2.21 0.00 0.00 174.62 170.06 1j1n s HIS 268 N -3.89 2.90 0.35 9.09 2.46 -1.26 -1.36 115.29 123.58 1j1n s HIS 268 Ca 0.11 -2.24 -0.04 0.00 0.47 0.00 0.00 55.06 53.36 1j1n s HIS 268 Cb -0.02 -2.05 0.02 0.00 -0.13 0.00 0.00 32.58 30.39 1j1n s HIS 268 CO 0.01 -0.86 0.53 -3.47 -2.47 0.00 0.00 174.74 168.48 1j1n n ASP 269 N 4.52 -1.50 -4.77 9.88 -0.08 -0.87 -4.87 116.55 118.87 1j1n n ASP 269 Ca -0.07 -2.78 -0.41 0.00 -1.51 0.00 0.00 54.79 50.03 1j1n n ASP 269 Cb 0.43 2.71 -0.02 0.00 2.34 0.00 0.00 41.12 46.57 1j1n n ASP 269 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1j1n s TRP 270 N -2.89 3.05 0.11 -0.67 0.52 -1.26 -0.77 118.94 117.03 1j1n s TRP 270 Ca 0.26 1.37 -0.27 0.00 0.02 0.00 0.00 56.10 57.47 1j1n s TRP 270 Cb -0.02 -3.70 -0.10 0.00 -1.15 0.00 0.00 33.47 28.51 1j1n s TRP 270 CO 0.18 -1.95 1.65 0.74 0.02 0.00 0.00 176.95 177.59 1j1n h PHE 271 N 3.61 -0.63 0.93 -1.98 0.04 -1.89 -2.06 116.94 114.96 1j1n h PHE 271 Ca -0.48 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 1j1n h PHE 271 Cb 1.23 0.26 0.01 0.00 2.20 0.00 0.00 35.95 39.64 1j1n h PHE 271 CO 0.56 -0.34 -0.47 0.00 -0.60 0.00 0.00 178.31 177.46 1j1n h ALA 272 N 0.28 -1.29 -0.38 2.45 0.00 -1.92 -2.57 119.26 115.82 1j1n h ALA 272 Ca 0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1j1n h ALA 272 Cb 0.47 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1j1n h ALA 272 CO -0.11 -1.23 -0.20 0.66 0.00 0.00 0.00 179.25 178.37 1j1n h SER 273 N -1.28 0.74 -0.20 0.00 4.64 -1.91 -3.01 113.55 112.53 1j1n h SER 273 Ca -0.13 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 1j1n h SER 273 Cb 0.99 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1j1n h SER 273 CO 0.19 0.93 -0.06 0.74 -0.87 0.00 0.00 176.83 177.76 1j1n h THR 274 N 0.65 1.22 0.00 2.95 2.02 -1.41 -2.34 112.91 116.00 1j1n h THR 274 Ca 0.10 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1j1n h THR 274 Cb 0.69 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1j1n h THR 274 CO 0.05 0.31 0.00 0.23 0.37 0.00 0.00 175.52 176.48 1j1n n MET 275 N -4.24 0.04 0.20 6.66 2.81 -0.97 -3.07 117.12 118.56 1j1n n MET 275 Ca 0.01 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 56.10 1j1n n MET 275 Cb 0.29 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 31.81 1j1n n MET 275 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1j1n h THR 276 N 0.00 0.00 0.00 2.03 1.35 -1.33 -3.01 112.91 111.95 1j1n h THR 276 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1j1n h THR 276 Cb 0.42 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1j1n h THR 276 CO 0.00 0.00 0.00 -0.26 -0.25 0.00 0.00 175.52 175.01 1j1n h PHE 277 N 0.00 0.00 -0.36 4.73 0.04 -1.68 -1.48 116.94 118.19 1j1n h PHE 277 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1j1n h PHE 277 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1j1n h PHE 277 CO 0.00 0.00 0.04 -0.91 -0.60 0.00 0.00 178.31 176.84 1j1n h ASN 278 N 0.00 0.59 0.67 2.17 2.35 -1.77 -0.91 115.58 118.68 1j1n h ASN 278 Ca 0.00 -0.28 -0.27 0.00 -0.55 0.00 0.00 56.30 55.21 1j1n h ASN 278 Cb 0.45 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1j1n h ASN 278 CO 0.00 0.72 -1.34 -0.08 -1.65 0.00 0.00 177.43 175.08 1j1n h GLU 279 N 0.44 0.13 -0.36 0.81 4.57 -1.75 -3.08 114.58 115.34 1j1n h GLU 279 Ca 0.11 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1j1n h GLU 279 Cb 0.40 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1j1n h GLU 279 CO 0.01 0.99 -0.00 0.78 -1.18 0.00 0.00 179.01 179.61 1j1n h GLY 280 N 2.41 0.61 -1.85 1.92 0.00 -1.19 -3.01 103.07 101.96 1j1n h GLY 280 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1j1n h GLY 280 CO 0.14 0.34 0.00 1.04 0.00 0.00 0.00 176.54 178.07 1j1n n LEU 281 N -4.27 3.12 -0.30 3.11 4.77 -0.36 -4.59 117.00 118.48 1j1n n LEU 281 Ca 0.02 -1.59 0.21 0.00 -0.03 0.00 0.00 56.01 54.62 1j1n n LEU 281 Cb 0.25 -0.23 0.50 0.00 -2.33 0.00 0.00 43.42 41.62 1j1n n LEU 281 CO 0.39 0.70 1.22 0.00 -1.33 0.00 0.00 177.39 178.38 1j1n h ALA 282 N 3.46 2.20 0.00 -1.18 0.00 -1.43 0.14 119.26 122.45 1j1n h ALA 282 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1j1n h ALA 282 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1j1n h ALA 282 CO 0.00 -0.56 -0.90 -0.22 0.00 0.00 0.00 179.25 177.56 1j1n h LYS 283 N 0.42 0.00 -0.07 0.00 3.64 -1.81 -3.36 116.57 115.38 1j1n h LYS 283 Ca 0.56 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.82 1j1n h LYS 283 Cb 1.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1j1n h LYS 283 CO -0.26 0.94 -0.49 1.79 -2.27 0.00 0.00 179.45 179.16 1j1n h THR 284 N -1.00 1.35 -2.97 1.00 1.35 -1.81 -3.36 112.91 107.46 1j1n h THR 284 Ca -0.24 -1.70 -0.62 0.00 -0.55 0.00 0.00 66.41 63.30 1j1n h THR 284 Cb 1.17 1.84 -0.41 0.00 -1.73 0.00 0.00 68.15 69.02 1j1n h THR 284 CO -0.15 0.50 -0.67 -0.69 -0.25 0.00 0.00 175.52 174.26 1j1n s VAL 285 N -3.97 2.25 -0.10 6.82 1.01 0.48 -5.08 120.40 121.81 1j1n s VAL 285 Ca -0.04 -3.73 -0.39 0.00 0.00 0.00 0.00 61.98 57.83 1j1n s VAL 285 Cb 0.13 -2.50 -0.16 0.00 0.00 0.00 0.00 36.38 33.85 1j1n s VAL 285 CO 0.77 -1.02 1.54 -2.65 0.00 0.00 0.00 175.10 173.74 1j1n n PRO 286 N 2.38 1.12 0.00 2.72 -0.02 -1.26 -1.31 135.00 138.63 1j1n n PRO 286 Ca 0.19 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1j1n n PRO 286 Cb 0.37 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1j1n n PRO 286 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j1n n GLY 287 N 3.34 2.09 3.64 -1.23 0.00 -1.26 -5.01 105.19 106.76 1j1n n GLY 287 Ca 0.22 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.68 1j1n n GLY 287 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1j1n n PHE 288 N -2.00 1.63 -3.29 1.61 -0.00 -0.43 -4.60 117.46 110.38 1j1n n PHE 288 Ca 0.00 0.70 -0.06 0.00 -0.00 0.00 0.00 57.45 58.09 1j1n n PHE 288 Cb 0.00 -2.34 -0.06 0.00 -0.00 0.00 0.00 39.48 37.08 1j1n n PHE 288 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j1n s LYS 289 N 1.80 0.42 -0.02 -4.13 2.47 -1.26 -4.84 119.74 114.17 1j1n s LYS 289 Ca 0.92 0.55 -0.13 0.00 -1.56 0.00 0.00 55.97 55.76 1j1n s LYS 289 Cb -1.09 -0.20 -0.05 0.00 -1.46 0.00 0.00 37.83 35.03 1j1n s LYS 289 CO 0.58 -0.73 0.36 -0.51 0.16 0.00 0.00 175.35 175.21 1j1n s LEU 290 N 2.62 4.46 0.03 5.43 1.43 -1.26 -0.06 118.68 131.33 1j1n s LEU 290 Ca 0.14 0.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1j1n s LEU 290 Cb -0.15 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 1j1n s LEU 290 CO -0.20 0.34 -0.17 0.27 0.23 0.00 0.00 176.35 176.82 1j1n s ILE 291 N -1.08 1.33 0.30 -0.59 -4.36 -0.41 -4.89 121.20 111.50 1j1n s ILE 291 Ca 0.23 -1.00 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 1j1n s ILE 291 Cb -0.16 -1.17 -0.10 0.00 1.25 0.00 0.00 42.46 42.29 1j1n s ILE 291 CO 0.12 0.14 0.93 -2.16 0.24 0.00 0.00 174.94 174.22 1j1n s PRO 292 N -1.00 4.64 0.04 0.37 0.04 -1.26 -1.87 135.00 135.95 1j1n s PRO 292 Ca 0.05 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.48 1j1n s PRO 292 Cb -0.08 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1j1n s PRO 292 CO 0.01 0.34 -0.13 0.96 0.04 0.00 0.00 177.00 178.22 1j1n s ILE 293 N -1.51 1.01 0.58 0.56 -4.36 -0.28 -4.96 121.20 112.24 1j1n s ILE 293 Ca 0.48 -0.95 -0.21 0.00 -0.26 0.00 0.00 60.65 59.71 1j1n s ILE 293 Cb -0.20 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1j1n s ILE 293 CO 0.26 -0.02 1.35 0.00 0.24 0.00 0.00 174.94 176.76 1j1n s ALA 294 N -0.85 2.68 0.04 2.27 0.00 -1.26 -4.20 121.76 120.44 1j1n s ALA 294 Ca 0.00 1.32 -0.34 0.00 0.00 0.00 0.00 51.96 52.94 1j1n s ALA 294 Cb -0.08 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.35 1j1n s ALA 294 CO 0.01 -1.47 1.75 -2.30 0.00 0.00 0.00 175.76 173.75 1j1n n PRO 295 N -1.31 2.24 -1.70 0.00 -0.02 -1.26 -4.87 135.00 128.09 1j1n n PRO 295 Ca 0.12 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 1j1n n PRO 295 Cb 0.46 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 1j1n n PRO 295 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1j1n n PRO 296 N 5.23 2.22 -1.64 0.52 -0.02 -1.26 -4.60 135.00 135.45 1j1n n PRO 296 Ca 0.20 0.79 -0.51 0.00 -2.02 0.00 0.00 63.50 61.95 1j1n n PRO 296 Cb 0.30 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 1j1n n PRO 296 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1j1n n THR 297 N 1.37 0.12 -1.59 3.45 -1.04 -0.26 -4.52 114.28 111.81 1j1n n THR 297 Ca 0.08 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.77 1j1n n THR 297 Cb 0.34 -1.18 0.20 0.00 -1.82 0.00 0.00 70.33 67.88 1j1n n THR 297 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j1n s ASN 298 N 1.57 2.28 0.26 8.00 2.20 0.70 -0.99 114.94 128.96 1j1n s ASN 298 Ca 0.87 0.43 0.20 0.00 -0.94 0.00 0.00 52.86 53.42 1j1n s ASN 298 Cb -0.88 -0.57 0.98 0.00 -2.00 0.00 0.00 41.25 38.77 1j1n s ASN 298 CO 0.49 -3.26 1.60 -1.54 -2.94 0.00 0.00 177.10 171.44 1j1n n SER 299 N -4.15 0.51 -1.33 3.54 3.41 -0.26 -1.32 113.62 114.03 1j1n n SER 299 Ca 0.14 0.70 0.10 0.00 -0.26 0.00 0.00 58.87 59.55 1j1n n SER 299 Cb 0.59 -0.78 0.31 0.00 -0.26 0.00 0.00 64.21 64.08 1j1n n SER 299 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j1n n LYS 300 N -2.15 3.21 -1.06 4.33 4.76 -1.26 -4.95 118.16 121.04 1j1n n LYS 300 Ca -0.00 -2.68 -0.02 0.00 -2.87 0.00 0.00 58.31 52.73 1j1n n LYS 300 Cb 0.09 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 31.59 1j1n n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j1n n GLY 301 N 1.15 0.54 3.31 0.72 0.00 -0.43 -5.05 105.19 105.43 1j1n n GLY 301 Ca 0.23 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1j1n n GLY 301 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j1n s GLN 302 N -2.08 1.67 -0.42 1.61 -0.21 -1.26 -4.83 119.66 114.14 1j1n s GLN 302 Ca 0.00 -1.05 -0.17 0.00 0.02 0.00 0.00 55.36 54.16 1j1n s GLN 302 Cb 0.00 -1.83 0.02 0.00 1.00 0.00 0.00 33.01 32.20 1j1n s GLN 302 CO 0.00 0.47 0.44 1.03 -2.12 0.00 0.00 175.29 175.11 1j1n s ARG 303 N -1.20 3.13 -0.16 2.91 0.52 -1.26 -0.22 118.95 122.67 1j1n s ARG 303 Ca 0.10 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1j1n s ARG 303 Cb -0.10 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 1j1n s ARG 303 CO 0.02 -0.84 -0.04 -1.58 0.02 0.00 0.00 175.30 172.88 1j1n s TRP 304 N 2.15 3.02 -0.33 -0.53 0.52 -1.26 -4.73 118.94 117.78 1j1n s TRP 304 Ca 0.12 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.94 1j1n s TRP 304 Cb -0.17 -1.96 0.10 0.00 -1.15 0.00 0.00 33.47 30.29 1j1n s TRP 304 CO 0.14 -0.05 0.07 -2.00 0.02 0.00 0.00 176.95 175.12 1j1n s GLU 305 N 0.40 1.19 0.31 4.98 2.56 -0.90 -4.77 118.70 122.47 1j1n s GLU 305 Ca -0.04 -1.57 0.15 0.00 0.00 0.00 0.00 54.97 53.52 1j1n s GLU 305 Cb -0.14 -2.74 0.44 0.00 2.00 0.00 0.00 34.13 33.69 1j1n s GLU 305 CO 0.03 -0.96 1.63 1.49 -0.56 0.00 0.00 175.26 176.89 1j1n h GLU 306 N 7.79 0.00 -6.96 4.30 4.81 -1.92 -1.18 114.58 121.42 1j1n h GLU 306 Ca -0.08 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.68 1j1n h GLU 306 Cb 1.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1j1n h GLU 306 CO 0.50 0.51 0.24 0.34 -0.73 0.00 0.00 179.01 179.87 1j1n s ASP 307 N -6.56 6.75 0.20 1.04 3.68 -1.26 -4.63 116.67 115.88 1j1n s ASP 307 Ca 0.00 1.45 -0.21 0.00 2.13 0.00 0.00 52.55 55.92 1j1n s ASP 307 Cb 0.11 -2.45 0.05 0.00 -1.45 0.00 0.00 42.92 39.18 1j1n s ASP 307 CO 0.72 -0.37 0.60 -0.94 0.13 0.00 0.00 175.17 175.31 1j1n s SER 308 N -2.58 -0.40 -0.00 -0.34 1.04 -1.26 -4.57 113.70 105.59 1j1n s SER 308 Ca 0.57 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 1j1n s SER 308 Cb -0.10 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1j1n s SER 308 CO 0.22 -1.08 1.04 -0.60 0.98 0.00 0.00 173.24 173.80 1j1n s ARG 309 N -3.83 4.50 0.43 4.02 6.06 -0.82 -4.40 118.95 124.92 1j1n s ARG 309 Ca 0.06 1.51 -0.22 0.00 -2.50 0.00 0.00 55.73 54.57 1j1n s ARG 309 Cb -0.02 -3.45 -0.09 0.00 0.06 0.00 0.00 34.95 31.44 1j1n s ARG 309 CO -0.05 -0.15 1.02 -0.65 -2.50 0.00 0.00 175.30 172.97 1j1n s GLN 310 N 1.23 4.08 0.38 5.12 -0.21 -1.26 -4.89 119.66 124.10 1j1n s GLN 310 Ca 0.53 1.38 0.16 0.00 0.02 0.00 0.00 55.36 57.45 1j1n s GLN 310 Cb -0.23 -2.34 0.77 0.00 1.00 0.00 0.00 33.01 32.21 1j1n s GLN 310 CO 0.27 -0.19 1.81 0.87 -2.12 0.00 0.00 175.29 175.93 1j1n h LYS 311 N 2.12 0.00 -2.00 2.91 1.57 -1.95 -3.39 116.57 115.83 1j1n h LYS 311 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1j1n h LYS 311 Cb 1.21 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.31 1j1n h LYS 311 CO 0.61 0.37 0.07 0.54 -0.57 0.00 0.00 179.45 180.46 1j1n s VAL 312 N -4.01 0.00 0.41 0.50 0.11 -1.26 -4.27 120.40 111.89 1j1n s VAL 312 Ca -0.02 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1j1n s VAL 312 Cb 0.13 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1j1n s VAL 312 CO 0.70 0.00 0.67 -0.13 -3.33 0.00 0.00 175.10 173.02 1j1n s ARG 313 N 1.16 3.53 -0.01 1.54 0.52 -0.79 -4.96 118.95 119.94 1j1n s ARG 313 Ca -0.06 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1j1n s ARG 313 Cb -0.05 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1j1n s ARG 313 CO -0.12 -0.03 2.18 -0.35 0.02 0.00 0.00 175.30 176.99 1j1n n PRO 314 N -1.98 1.12 -4.39 3.54 -0.04 -1.26 -4.42 135.00 127.57 1j1n n PRO 314 Ca -0.02 -0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1j1n n PRO 314 Cb 0.55 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 1j1n n PRO 314 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j1n s ASP 315 N 1.96 2.69 0.00 3.54 1.01 -1.26 -0.70 116.67 123.91 1j1n s ASP 315 Ca 0.08 -1.11 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1j1n s ASP 315 Cb 0.04 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1j1n s ASP 315 CO -0.00 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1j1n n GLY 316 N -0.49 0.21 3.07 0.21 0.00 -0.80 -1.56 105.19 105.82 1j1n n GLY 316 Ca -0.06 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1j1n n GLY 316 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j1n s TRP 317 N -3.07 0.42 0.22 1.61 -2.14 -0.82 -1.33 118.94 113.83 1j1n s TRP 317 Ca 0.00 -0.88 0.03 0.00 2.66 0.00 0.00 56.10 57.92 1j1n s TRP 317 Cb 0.00 -0.31 -0.05 0.00 -3.10 0.00 0.00 33.47 30.01 1j1n s TRP 317 CO 0.00 -0.34 -0.01 0.00 -2.66 0.00 0.00 176.95 173.94 1j1n s ALA 318 N -3.21 1.72 -0.23 2.67 0.00 0.37 -1.32 121.76 121.76 1j1n s ALA 318 Ca 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 1j1n s ALA 318 Cb 0.03 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1j1n s ALA 318 CO -0.07 -0.24 0.09 0.42 0.00 0.00 0.00 175.76 175.95 1j1n s ILE 319 N -3.44 4.66 0.70 0.00 1.01 -1.26 -2.06 121.20 120.80 1j1n s ILE 319 Ca 0.27 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 1j1n s ILE 319 Cb 0.05 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1j1n s ILE 319 CO 0.07 0.37 1.08 0.42 0.00 0.00 0.00 174.94 176.88 1j1n s THR 320 N 1.17 3.71 -0.44 2.92 -4.23 -0.92 -1.24 115.64 116.60 1j1n s THR 320 Ca 0.05 0.55 0.24 0.00 -1.18 0.00 0.00 61.69 61.35 1j1n s THR 320 Cb -0.14 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.44 1j1n s THR 320 CO 0.04 -0.72 1.72 1.33 -0.54 0.00 0.00 174.62 176.45 1j1n n VAL 321 N -3.01 0.83 1.24 2.29 0.24 -0.69 -2.21 118.33 117.02 1j1n n VAL 321 Ca 0.07 0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.75 1j1n n VAL 321 Cb 0.56 -1.19 0.39 0.00 -1.47 0.00 0.00 33.84 32.13 1j1n n VAL 321 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j1n n LYS 322 N -2.28 0.79 -2.26 7.34 4.76 -1.26 -4.83 118.16 120.42 1j1n n LYS 322 Ca 0.02 -0.45 -0.43 0.00 -2.87 0.00 0.00 58.31 54.58 1j1n n LYS 322 Cb 0.22 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1j1n n LYS 322 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1j1n s ASN 323 N -2.52 6.47 0.00 4.39 3.84 -0.94 -4.87 114.94 121.31 1j1n s ASN 323 Ca 0.24 1.35 0.30 0.00 0.21 0.00 0.00 52.86 54.97 1j1n s ASN 323 Cb 0.19 -2.54 1.58 0.00 -0.55 0.00 0.00 41.25 39.94 1j1n s ASN 323 CO 0.52 -1.22 2.06 0.29 -2.79 0.00 0.00 177.10 175.96 1j1n n LYS 324 N 7.59 0.81 -3.07 0.43 5.02 -1.26 -4.12 118.16 123.57 1j1n n LYS 324 Ca 0.17 -0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 1j1n n LYS 324 Cb 0.46 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1j1n n LYS 324 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j1n n ASN 325 N -0.99 3.04 -0.15 4.39 3.02 -1.26 -4.93 115.26 118.38 1j1n n ASN 325 Ca 0.19 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1j1n n ASN 325 Cb 0.20 -0.59 0.26 0.00 -0.61 0.00 0.00 39.78 39.04 1j1n n ASN 325 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1j1n h PRO 326 N 3.11 0.85 -0.02 3.52 0.13 -1.97 -1.28 132.00 136.34 1j1n h PRO 326 Ca 0.12 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1j1n h PRO 326 Cb 0.68 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1j1n h PRO 326 CO 0.70 0.63 0.00 0.28 -0.23 0.00 0.00 178.00 179.38 1j1n h VAL 327 N 0.86 1.22 -0.50 1.56 2.07 -1.96 -0.63 116.25 118.88 1j1n h VAL 327 Ca 0.22 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1j1n h VAL 327 Cb 0.03 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1j1n h VAL 327 CO -0.04 0.17 0.12 -0.33 0.02 0.00 0.00 177.57 177.52 1j1n h GLU 328 N -0.24 0.75 -0.41 1.57 3.07 -1.91 -2.09 114.58 115.33 1j1n h GLU 328 Ca 0.00 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 58.64 1j1n h GLU 328 Cb 0.28 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1j1n h GLU 328 CO 0.00 0.68 -0.05 1.15 -1.40 0.00 0.00 179.01 179.39 1j1n h THR 329 N 0.73 1.27 -0.07 1.13 2.02 -1.06 -0.90 112.91 116.03 1j1n h THR 329 Ca 0.16 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 1j1n h THR 329 Cb 0.27 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1j1n h THR 329 CO -0.00 0.38 -0.36 -0.29 0.37 0.00 0.00 175.52 175.62 1j1n h ILE 330 N 0.58 1.28 -0.25 3.11 6.09 -0.88 0.03 117.51 127.47 1j1n h ILE 330 Ca 0.11 -1.32 -0.12 0.00 -1.37 0.00 0.00 64.86 62.16 1j1n h ILE 330 Cb 0.56 1.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.46 1j1n h ILE 330 CO 0.03 0.39 -0.35 0.11 -3.07 0.00 0.00 178.15 175.26 1j1n h LYS 331 N 0.11 0.54 -0.31 2.19 1.57 -1.14 0.31 116.57 119.84 1j1n h LYS 331 Ca 0.01 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1j1n h LYS 331 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1j1n h LYS 331 CO 0.05 0.82 -0.00 0.35 -0.57 0.00 0.00 179.45 180.10 1j1n h PHE 332 N 0.46 0.60 -0.87 -1.35 3.04 -0.46 -2.58 116.94 115.78 1j1n h PHE 332 Ca 0.05 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1j1n h PHE 332 Cb 0.82 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 1j1n h PHE 332 CO 0.03 0.68 0.54 0.74 -2.02 0.00 0.00 178.31 178.28 1j1n h PHE 333 N 0.35 1.13 -0.44 0.41 0.05 -0.69 -2.38 116.94 115.36 1j1n h PHE 333 Ca 0.09 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1j1n h PHE 333 Cb 0.44 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1j1n h PHE 333 CO 0.04 0.74 0.28 0.22 -0.18 0.00 0.00 178.31 179.40 1j1n h ASP 334 N 1.19 0.51 -0.98 2.17 -0.00 -0.60 -2.22 116.42 116.50 1j1n h ASP 334 Ca 0.31 -0.02 0.20 0.00 -0.00 0.00 0.00 57.03 57.53 1j1n h ASP 334 Cb -0.07 -0.13 -0.09 0.00 -0.00 0.00 0.00 39.33 39.04 1j1n h ASP 334 CO -0.06 0.38 0.62 0.15 -0.00 0.00 0.00 179.24 180.33 1j1n h PHE 335 N 0.60 0.85 0.00 0.28 3.57 -1.05 -0.07 116.94 121.12 1j1n h PHE 335 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1j1n h PHE 335 Cb -0.05 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1j1n h PHE 335 CO 0.00 0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.93 1j1n n TYR 336 N -4.66 0.00 -0.01 0.41 4.02 -0.83 -1.91 117.16 114.18 1j1n n TYR 336 Ca 0.22 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.13 1j1n n TYR 336 Cb 0.65 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.00 1j1n n TYR 336 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1j1n n PHE 337 N -0.94 0.09 -4.04 -0.72 3.01 -0.05 -2.56 117.46 112.26 1j1n n PHE 337 Ca 0.16 -0.38 -0.21 0.00 1.01 0.00 0.00 57.45 58.02 1j1n n PHE 337 Cb 0.07 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1j1n n PHE 337 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1j1n s SER 338 N -0.82 5.92 0.16 4.37 1.04 -0.80 -4.78 113.70 118.80 1j1n s SER 338 Ca 0.05 -0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 1j1n s SER 338 Cb 0.03 -1.63 0.09 0.00 0.10 0.00 0.00 66.02 64.61 1j1n s SER 338 CO 0.04 -0.05 1.75 -0.09 0.98 0.00 0.00 173.24 175.87 1j1n h ARG 339 N 1.33 0.29 -0.92 4.02 9.65 -1.95 0.13 114.38 126.94 1j1n h ARG 339 Ca -0.50 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.39 1j1n h ARG 339 Cb 1.23 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.69 1j1n h ARG 339 CO 0.61 0.20 0.60 -1.35 2.80 0.00 0.00 179.97 182.82 1j1n h PRO 340 N 0.30 1.12 -0.14 0.20 0.11 -1.96 -0.76 132.00 130.88 1j1n h PRO 340 Ca 0.19 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 66.03 1j1n h PRO 340 Cb 0.17 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1j1n h PRO 340 CO -0.19 0.74 -0.71 0.78 -0.21 0.00 0.00 178.00 178.41 1j1n h GLY 341 N 1.15 0.68 2.00 -0.55 0.00 -1.39 -2.98 103.07 101.98 1j1n h GLY 341 Ca 0.37 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1j1n h GLY 341 CO -0.12 0.82 -0.35 3.21 0.00 0.00 0.00 176.54 180.10 1j1n h ARG 342 N 0.43 0.00 0.38 4.80 3.08 -0.44 -2.05 114.38 120.59 1j1n h ARG 342 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1j1n h ARG 342 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1j1n h ARG 342 CO 0.14 0.35 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.76 1j1n h ASP 343 N 0.00 -0.43 -0.14 7.04 5.19 -0.99 -1.54 116.42 125.55 1j1n h ASP 343 Ca -0.00 -0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.19 1j1n h ASP 343 Cb 0.63 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1j1n h ASP 343 CO 0.05 -0.25 -0.59 0.16 -3.12 0.00 0.00 179.24 175.48 1j1n h ILE 344 N -0.59 1.29 0.00 0.35 3.07 -1.47 0.26 117.51 120.42 1j1n h ILE 344 Ca -0.05 -1.81 0.00 0.00 1.55 0.00 0.00 64.86 64.55 1j1n h ILE 344 Cb 0.44 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 1j1n h ILE 344 CO 0.09 0.58 0.00 0.77 -1.05 0.00 0.00 178.15 178.53 1j1n h SER 345 N 0.56 0.00 0.00 2.16 4.64 -1.40 -1.24 113.55 118.27 1j1n h SER 345 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1j1n h SER 345 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1j1n h SER 345 CO 0.12 0.00 -1.88 0.59 -0.87 0.00 0.00 176.83 174.79 1j1n n ASN 346 N -2.63 2.27 -0.00 4.97 3.02 -0.58 -1.13 115.26 121.18 1j1n n ASN 346 Ca 0.02 -0.04 0.04 0.00 -0.03 0.00 0.00 54.58 54.57 1j1n n ASN 346 Cb 0.27 0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.77 1j1n n ASN 346 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1j1n n PHE 347 N -2.67 0.00 0.00 3.10 3.01 0.90 -4.75 117.46 117.05 1j1n n PHE 347 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1j1n n PHE 347 Cb 0.86 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 1j1n n PHE 347 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j1n n GLY 348 N 1.41 0.69 3.06 1.37 0.00 -0.47 -4.47 105.19 106.77 1j1n n GLY 348 Ca 0.01 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1j1n n GLY 348 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j1n s VAL 349 N 0.00 1.16 0.33 1.61 1.01 -1.26 -4.29 120.40 118.97 1j1n s VAL 349 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1j1n s VAL 349 Cb 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.24 1j1n s VAL 349 CO 0.00 0.35 1.46 -2.16 0.00 0.00 0.00 175.10 174.75 1j1n s PRO 350 N 0.35 4.19 0.00 2.72 0.04 -1.26 -1.11 135.00 139.93 1j1n s PRO 350 Ca -0.09 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1j1n s PRO 350 Cb -0.13 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1j1n s PRO 350 CO 0.03 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1j1n n GLY 351 N 1.12 1.70 1.00 0.56 0.00 0.10 -4.78 105.19 104.89 1j1n n GLY 351 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1j1n n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j1n n VAL 352 N -2.00 0.83 -0.01 1.61 0.31 -0.62 -4.91 118.33 113.54 1j1n n VAL 352 Ca 0.00 0.25 0.03 0.00 -0.01 0.00 0.00 64.34 64.61 1j1n n VAL 352 Cb 0.00 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1j1n n VAL 352 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1j1n n THR 353 N -3.36 0.05 -3.95 2.52 -2.24 -0.27 -4.94 114.28 102.09 1j1n n THR 353 Ca -0.01 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1j1n n THR 353 Cb 0.19 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1j1n n THR 353 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1j1n s TYR 354 N -2.43 0.31 0.03 4.78 1.13 -1.19 -1.55 117.35 118.44 1j1n s TYR 354 Ca -0.03 -0.67 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 1j1n s TYR 354 Cb 0.04 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 1j1n s TYR 354 CO 0.28 -0.91 -0.04 -0.51 -2.51 0.00 0.00 175.55 171.86 1j1n s ASP 355 N -2.99 0.45 -0.15 -0.18 1.01 -0.48 0.02 116.67 114.35 1j1n s ASP 355 Ca 0.20 -0.65 -0.24 0.00 0.71 0.00 0.00 52.55 52.57 1j1n s ASP 355 Cb 0.00 0.11 -0.02 0.00 1.01 0.00 0.00 42.92 44.02 1j1n s ASP 355 CO 0.05 -0.36 0.76 -0.63 0.21 0.00 0.00 175.17 175.20 1j1n s ILE 356 N -2.12 4.95 -0.05 0.77 1.09 -1.26 -1.02 121.20 123.56 1j1n s ILE 356 Ca -0.08 1.51 0.01 0.00 -1.10 0.00 0.00 60.65 60.98 1j1n s ILE 356 Cb -0.05 -4.08 0.02 0.00 -1.06 0.00 0.00 42.46 37.29 1j1n s ILE 356 CO -0.03 0.10 -0.04 -0.54 -0.10 0.00 0.00 174.94 174.33 1j1n s LYS 357 N 1.76 0.82 -1.40 2.79 1.02 0.25 -4.77 119.74 120.20 1j1n s LYS 357 Ca 0.36 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.21 1j1n s LYS 357 Cb -0.17 -0.84 0.03 0.00 -0.52 0.00 0.00 37.83 36.33 1j1n s LYS 357 CO 0.14 -0.09 0.38 0.09 -0.92 0.00 0.00 175.35 174.95 1j1n n ASN 358 N 4.09 -4.90 0.00 2.83 5.03 -1.26 -1.21 115.26 119.84 1j1n n ASN 358 Ca -0.24 -0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.02 1j1n n ASN 358 Cb 0.51 -4.03 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 1j1n n ASN 358 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j1n n GLY 359 N -1.21 0.65 3.16 7.41 0.00 -1.26 -5.03 105.19 108.91 1j1n n GLY 359 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1j1n n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1n s LYS 360 N -0.09 0.80 0.03 1.61 1.02 -0.35 -5.10 119.74 117.67 1j1n s LYS 360 Ca 0.00 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 1j1n s LYS 360 Cb 0.00 -0.46 -0.06 0.00 -0.52 0.00 0.00 37.83 36.79 1j1n s LYS 360 CO 0.00 0.07 1.38 0.00 -0.92 0.00 0.00 175.35 175.87 1j1n s ALA 361 N -2.44 3.56 -0.11 5.17 0.00 -1.26 -0.58 121.76 126.10 1j1n s ALA 361 Ca 0.04 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1j1n s ALA 361 Cb -0.03 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1j1n s ALA 361 CO -0.01 -0.80 -0.10 0.08 0.00 0.00 0.00 175.76 174.93 1j1n s VAL 362 N 2.00 1.16 0.48 0.00 1.01 -0.19 -4.94 120.40 119.92 1j1n s VAL 362 Ca 0.63 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1j1n s VAL 362 Cb -0.32 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 1j1n s VAL 362 CO 0.27 0.38 1.31 -0.36 0.00 0.00 0.00 175.10 176.71 1j1n s PHE 363 N 1.37 2.57 0.67 5.22 0.40 -1.26 -1.39 117.98 125.56 1j1n s PHE 363 Ca -0.01 1.40 -0.14 0.00 -0.60 0.00 0.00 56.93 57.58 1j1n s PHE 363 Cb -0.14 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.70 1j1n s PHE 363 CO -0.05 -2.40 1.09 0.15 0.70 0.00 0.00 175.22 174.72 1j1n s LYS 364 N -2.63 2.81 0.29 0.44 1.02 -0.59 -4.87 119.74 116.22 1j1n s LYS 364 Ca 0.65 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.93 1j1n s LYS 364 Cb -0.38 -1.96 0.52 0.00 -0.52 0.00 0.00 37.83 35.49 1j1n s LYS 364 CO 0.46 -1.22 1.89 -0.44 -0.92 0.00 0.00 175.35 175.12 1j1n h ASP 365 N -0.14 0.93 -0.95 2.83 3.32 -1.94 -1.88 116.42 118.60 1j1n h ASP 365 Ca -0.46 0.02 0.09 0.00 0.02 0.00 0.00 57.03 56.69 1j1n h ASP 365 Cb 1.24 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1j1n h ASP 365 CO 0.54 0.57 0.59 0.77 -1.72 0.00 0.00 179.24 180.00 1j1n h SER 366 N 1.04 0.91 -0.35 6.45 4.64 -1.96 0.12 113.55 124.39 1j1n h SER 366 Ca 0.43 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.67 1j1n h SER 366 Cb 0.28 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1j1n h SER 366 CO -0.18 0.54 -0.18 0.58 -0.87 0.00 0.00 176.83 176.72 1j1n h VAL 367 N 1.02 1.29 0.00 0.95 2.07 -1.69 -2.27 116.25 117.62 1j1n h VAL 367 Ca 0.44 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1j1n h VAL 367 Cb 0.30 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1j1n h VAL 367 CO -0.21 0.43 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 1j1n h LEU 368 N 0.52 0.00 0.00 2.57 3.38 -0.88 -3.13 115.31 117.77 1j1n h LEU 368 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j1n h LEU 368 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1j1n h LEU 368 CO 0.05 0.00 -1.10 0.29 0.09 0.00 0.00 178.44 177.78 1j1n n LYS 369 N -3.04 0.12 -1.87 1.13 5.02 0.33 -4.97 118.16 114.88 1j1n n LYS 369 Ca 0.02 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 1j1n n LYS 369 Cb 0.36 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1j1n n LYS 369 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j1n s SER 370 N -3.29 5.55 0.00 4.39 0.15 -0.86 -4.90 113.70 114.75 1j1n s SER 370 Ca 0.06 2.72 0.25 0.00 0.70 0.00 0.00 55.95 59.68 1j1n s SER 370 Cb 0.16 -2.63 1.26 0.00 -1.71 0.00 0.00 66.02 63.10 1j1n s SER 370 CO 0.85 -1.37 1.84 -0.81 1.20 0.00 0.00 173.24 174.95 1j1n n PRO 371 N -0.75 0.35 -3.44 5.44 -0.04 -1.26 -4.71 135.00 130.59 1j1n n PRO 371 Ca 0.09 0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 1j1n n PRO 371 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1j1n n PRO 371 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1j1n s GLN 372 N -2.58 4.27 0.29 0.54 0.74 -1.26 -4.78 119.66 116.89 1j1n s GLN 372 Ca 0.24 0.26 -0.29 0.00 0.05 0.00 0.00 55.36 55.62 1j1n s GLN 372 Cb 0.17 -3.42 -0.14 0.00 1.10 0.00 0.00 33.01 30.72 1j1n s GLN 372 CO 0.38 0.23 1.17 -2.30 -0.55 0.00 0.00 175.29 174.22 1j1n n PRO 373 N 3.53 1.68 -0.33 1.67 -0.02 -1.26 -4.74 135.00 135.52 1j1n n PRO 373 Ca -0.10 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 1j1n n PRO 373 Cb 0.52 -2.08 0.22 0.00 -0.02 0.00 0.00 33.50 32.14 1j1n n PRO 373 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j1n h VAL 374 N 2.37 0.89 -0.57 -1.45 2.07 -1.92 -0.70 116.25 116.94 1j1n h VAL 374 Ca -0.43 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1j1n h VAL 374 Cb 1.31 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1j1n h VAL 374 CO 0.64 0.16 0.20 -0.55 0.02 0.00 0.00 177.57 178.04 1j1n h ASN 375 N 0.89 0.77 -0.65 0.57 -1.07 -1.98 -0.50 115.58 113.61 1j1n h ASN 375 Ca 0.46 -0.11 -0.07 0.00 0.07 0.00 0.00 56.30 56.65 1j1n h ASN 375 Cb 0.47 -0.20 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 1j1n h ASN 375 CO -0.27 0.71 0.14 0.78 0.07 0.00 0.00 177.43 178.86 1j1n h ASN 376 N 0.83 1.02 -0.77 6.14 2.35 -1.52 -0.51 115.58 123.11 1j1n h ASN 376 Ca 0.19 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1j1n h ASN 376 Cb 0.20 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1j1n h ASN 376 CO -0.01 0.99 0.43 1.56 -1.65 0.00 0.00 177.43 178.74 1j1n h GLN 377 N 1.01 1.07 -0.17 0.81 4.20 -0.50 -2.94 115.11 118.60 1j1n h GLN 377 Ca 0.21 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 1j1n h GLN 377 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1j1n h GLN 377 CO 0.01 0.79 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.30 1j1n h LEU 378 N 1.06 0.60 -0.63 1.46 3.38 -0.65 -3.14 115.31 117.40 1j1n h LEU 378 Ca 0.27 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1j1n h LEU 378 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1j1n h LEU 378 CO -0.04 1.05 0.34 1.88 0.09 0.00 0.00 178.44 181.76 1j1n h TYR 379 N 0.41 0.62 0.00 1.13 0.05 -0.93 0.03 116.97 118.27 1j1n h TYR 379 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1j1n h TYR 379 Cb 1.13 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1j1n h TYR 379 CO 0.05 0.29 0.09 -0.44 -1.05 0.00 0.00 178.16 177.10 1j1n h ASP 380 N 0.63 0.00 -0.06 3.88 3.45 -1.48 -2.12 116.42 120.72 1j1n h ASP 380 Ca 0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.74 1j1n h ASP 380 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1j1n h ASP 380 CO -0.18 0.00 0.00 1.15 -1.57 0.00 0.00 179.24 178.64 1j1n n MET 381 N -2.74 2.89 -0.29 3.56 0.00 -0.61 -4.91 117.12 115.02 1j1n n MET 381 Ca -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 57.70 56.11 1j1n n MET 381 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1j1n n MET 381 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1j1n n GLY 382 N -0.32 0.83 3.63 3.17 0.00 -0.80 -1.67 105.19 110.03 1j1n n GLY 382 Ca 0.02 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1j1n n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1n s ALA 383 N -2.00 3.14 -1.46 4.61 0.00 -0.10 -4.60 121.76 121.34 1j1n s ALA 383 Ca 0.00 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.16 1j1n s ALA 383 Cb 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1j1n s ALA 383 CO 0.00 0.23 0.57 1.04 0.00 0.00 0.00 175.76 177.60 1j1n n GLN 384 N -0.89 -4.42 -4.00 0.00 1.13 -0.28 -2.98 117.38 105.95 1j1n n GLN 384 Ca -0.06 0.76 -0.27 0.00 -1.94 0.00 0.00 57.00 55.50 1j1n n GLN 384 Cb 0.60 -5.58 -0.04 0.00 0.11 0.00 0.00 30.24 25.33 1j1n n GLN 384 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1j1n s ILE 385 N -3.09 4.99 0.00 5.09 -4.36 -1.26 -4.84 121.20 117.72 1j1n s ILE 385 Ca 0.34 -0.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.89 1j1n s ILE 385 Cb -0.16 -3.55 -0.09 0.00 1.25 0.00 0.00 42.46 39.91 1j1n s ILE 385 CO 0.42 -0.07 1.67 -0.81 0.24 0.00 0.00 174.94 176.38 1j1n n PRO 386 N -0.38 0.80 -2.12 0.37 -0.04 -1.26 -4.83 135.00 127.54 1j1n n PRO 386 Ca -0.07 -0.34 -0.18 0.00 -0.04 0.00 0.00 63.50 62.86 1j1n n PRO 386 Cb 0.54 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1j1n n PRO 386 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j1n n ILE 387 N 2.52 0.00 -2.70 0.52 -5.35 -1.26 -3.05 119.36 110.04 1j1n n ILE 387 Ca 0.15 -1.22 -0.43 0.00 -0.27 0.00 0.00 62.75 60.98 1j1n n ILE 387 Cb 0.37 -1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 37.23 1j1n n ILE 387 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j1n s GLY 388 N -4.52 1.48 0.15 3.28 0.00 -1.26 -3.81 107.32 102.65 1j1n s GLY 388 Ca 0.52 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.65 1j1n s GLY 388 CO 0.34 2.21 0.66 -0.11 0.00 0.00 0.00 173.10 176.20 1j1n s PHE 389 N 3.82 -0.46 -0.44 1.90 -0.71 -1.02 -4.79 117.98 116.27 1j1n s PHE 389 Ca 0.43 0.23 -0.15 0.00 -1.04 0.00 0.00 56.93 56.40 1j1n s PHE 389 Cb -0.11 0.58 0.05 0.00 -1.21 0.00 0.00 43.02 42.33 1j1n s PHE 389 CO 0.22 -0.85 0.35 -0.46 -1.34 0.00 0.00 175.22 173.13 1j1n s TRP 390 N -3.67 3.24 0.60 3.49 -0.11 -1.06 -1.33 118.94 120.11 1j1n s TRP 390 Ca 0.03 -0.76 -0.18 0.00 1.22 0.00 0.00 56.10 56.40 1j1n s TRP 390 Cb -0.02 -2.88 -0.03 0.00 -1.50 0.00 0.00 33.47 29.05 1j1n s TRP 390 CO -0.10 -0.69 1.20 -1.14 -4.62 0.00 0.00 176.95 171.60 1j1n s GLN 391 N 1.66 2.92 -0.26 5.86 0.74 0.01 -4.86 119.66 125.73 1j1n s GLN 391 Ca 0.04 1.80 0.03 0.00 0.05 0.00 0.00 55.36 57.29 1j1n s GLN 391 Cb -0.22 -1.92 0.06 0.00 1.10 0.00 0.00 33.01 32.03 1j1n s GLN 391 CO 0.08 -1.24 -0.11 0.34 -0.55 0.00 0.00 175.29 173.82 1j1n s ASP 392 N -1.67 4.46 0.64 6.67 -1.08 -1.26 -4.44 116.67 119.98 1j1n s ASP 392 Ca 0.77 -1.42 0.38 0.00 -0.52 0.00 0.00 52.55 51.76 1j1n s ASP 392 Cb -0.30 -1.55 2.18 0.00 -1.46 0.00 0.00 42.92 41.79 1j1n s ASP 392 CO 0.34 -0.19 2.32 0.22 0.52 0.00 0.00 175.17 178.37 1j1n h TYR 393 N 7.77 0.00 0.00 -5.34 5.03 -1.96 -1.27 116.97 121.20 1j1n h TYR 393 Ca -0.19 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 1j1n h TYR 393 Cb 1.04 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 1j1n h TYR 393 CO 0.64 0.00 -0.02 0.22 -1.32 0.00 0.00 178.16 177.67 1j1n h ASP 394 N 0.00 0.00 -0.63 -2.11 1.82 -1.95 0.05 116.42 113.60 1j1n h ASP 394 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1j1n h ASP 394 Cb 0.03 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1j1n h ASP 394 CO -0.00 0.02 0.05 0.10 -1.61 0.00 0.00 179.24 177.80 1j1n h TYR 395 N 0.00 1.17 0.04 0.28 -0.00 -1.59 -2.89 116.97 113.98 1j1n h TYR 395 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 58.73 58.28 1j1n h TYR 395 Cb 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 36.73 36.67 1j1n h TYR 395 CO 0.00 1.01 -1.09 1.49 -0.00 0.00 0.00 178.16 179.56 1j1n h GLU 396 N 0.99 0.60 -0.80 0.10 4.81 -1.22 -3.25 114.58 115.81 1j1n h GLU 396 Ca 0.19 -0.70 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1j1n h GLU 396 Cb 0.51 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 1j1n h GLU 396 CO 0.02 1.29 0.52 -0.09 -0.73 0.00 0.00 179.01 180.03 1j1n h ARG 397 N 0.31 0.78 0.00 1.92 2.43 -1.01 -1.87 114.38 116.93 1j1n h ARG 397 Ca -0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1j1n h ARG 397 Cb 1.75 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1j1n h ARG 397 CO 0.21 0.51 -0.06 1.96 -1.51 0.00 0.00 179.97 181.08 1j1n h GLN 398 N 0.80 0.00 -0.15 0.20 4.20 -1.54 -2.61 115.11 116.01 1j1n h GLN 398 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1j1n h GLN 398 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1j1n h GLN 398 CO -0.14 0.06 0.00 -2.67 -0.67 0.00 0.00 178.83 175.42 1j1n n TRP 399 N -4.13 0.44 -3.16 2.96 4.27 -0.76 -4.92 117.44 112.15 1j1n n TRP 399 Ca -0.03 -0.82 -0.42 0.00 -3.89 0.00 0.00 57.50 52.34 1j1n n TRP 399 Cb 0.15 -0.19 -0.07 0.00 -1.36 0.00 0.00 31.31 29.84 1j1n n TRP 399 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1j1n s THR 400 N -2.37 4.91 0.89 -1.67 2.01 -0.87 -4.91 115.64 113.63 1j1n s THR 400 Ca 0.31 0.30 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 1j1n s THR 400 Cb 0.25 -4.09 0.13 0.00 0.01 0.00 0.00 72.50 68.80 1j1n s THR 400 CO 0.07 -0.39 1.11 0.42 -0.69 0.00 0.00 174.62 175.13 1j1n s THR 401 N 2.63 2.55 0.31 -0.82 -4.23 -1.26 -4.71 115.64 110.12 1j1n s THR 401 Ca 0.22 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1j1n s THR 401 Cb -0.15 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.54 1j1n s THR 401 CO 0.16 -0.24 1.95 -0.65 -0.54 0.00 0.00 174.62 175.30 1j1n h PRO 402 N -1.66 0.99 -0.57 3.99 0.11 -1.97 0.11 132.00 132.99 1j1n h PRO 402 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1j1n h PRO 402 Cb 1.26 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1j1n h PRO 402 CO 0.47 0.65 -0.01 0.93 -0.21 0.00 0.00 178.00 179.83 1j1n h GLU 403 N 1.02 1.02 -0.54 1.05 3.07 -1.99 -0.83 114.58 117.37 1j1n h GLU 403 Ca 0.33 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1j1n h GLU 403 Cb 0.04 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1j1n h GLU 403 CO -0.10 1.02 0.11 0.00 -1.40 0.00 0.00 179.01 178.64 1j1n h ALA 404 N 0.97 0.72 -0.72 3.43 0.00 -1.65 -2.10 119.26 119.91 1j1n h ALA 404 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1j1n h ALA 404 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1j1n h ALA 404 CO 0.03 0.44 0.31 0.37 0.00 0.00 0.00 179.25 180.39 1j1n h GLN 405 N 0.77 1.04 -0.41 0.00 5.75 -0.58 -1.10 115.11 120.58 1j1n h GLN 405 Ca 0.17 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1j1n h GLN 405 Cb 0.37 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1j1n h GLN 405 CO 0.01 0.83 0.08 0.00 -2.65 0.00 0.00 178.83 177.10 1j1n h ALA 406 N 1.31 1.38 -0.29 3.38 0.00 -0.85 0.43 119.26 124.62 1j1n h ALA 406 Ca 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1j1n h ALA 406 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1j1n h ALA 406 CO -0.02 0.44 -0.05 0.78 0.00 0.00 0.00 179.25 180.40 1j1n h GLY 407 N 0.83 0.60 0.96 0.00 0.00 -0.60 -0.73 103.07 104.13 1j1n h GLY 407 Ca 0.14 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1j1n h GLY 407 CO -0.00 0.44 0.06 -2.22 0.00 0.00 0.00 176.54 174.82 1j1n h ILE 408 N 0.32 1.06 -0.36 2.60 2.04 -0.78 -1.78 117.51 120.62 1j1n h ILE 408 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1j1n h ILE 408 Cb 0.51 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1j1n h ILE 408 CO 0.02 0.06 0.19 0.44 0.00 0.00 0.00 178.15 178.87 1j1n h ASP 409 N 0.10 0.43 -0.45 1.72 3.32 -0.86 -1.09 116.42 119.59 1j1n h ASP 409 Ca 0.04 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1j1n h ASP 409 Cb 0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1j1n h ASP 409 CO -0.01 0.35 0.02 -0.03 -1.72 0.00 0.00 179.24 177.86 1j1n h MET 410 N 0.50 0.78 -0.54 3.56 1.85 -0.69 -0.62 114.93 119.77 1j1n h MET 410 Ca 0.13 -0.24 -0.10 0.00 -0.61 0.00 0.00 59.70 58.88 1j1n h MET 410 Cb 0.02 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 1j1n h MET 410 CO -0.02 0.83 -0.06 1.88 -0.40 0.00 0.00 176.91 179.14 1j1n h TYR 411 N 0.63 1.06 -0.22 1.39 -1.99 -0.61 -0.53 116.97 116.71 1j1n h TYR 411 Ca 0.13 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1j1n h TYR 411 Cb 0.46 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1j1n h TYR 411 CO 0.04 0.98 -0.02 0.28 -0.00 0.00 0.00 178.16 179.43 1j1n h VAL 412 N 0.88 1.27 -0.69 -2.88 2.07 -1.08 -2.35 116.25 113.47 1j1n h VAL 412 Ca 0.15 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1j1n h VAL 412 Cb 0.60 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1j1n h VAL 412 CO 0.04 0.29 0.21 0.50 0.02 0.00 0.00 177.57 178.63 1j1n h LYS 413 N 0.16 1.07 0.00 1.57 3.64 -1.02 -2.76 116.57 119.23 1j1n h LYS 413 Ca 0.06 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1j1n h LYS 413 Cb 0.44 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1j1n h LYS 413 CO 0.02 0.92 0.00 0.41 -2.27 0.00 0.00 179.45 178.53 1j1n n GLY 414 N -0.79 -1.43 3.09 5.01 0.00 -0.21 -4.91 105.19 105.94 1j1n n GLY 414 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1j1n n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j1n n LYS 415 N -2.00 -5.36 0.09 1.61 5.02 -0.89 -4.91 118.16 111.71 1j1n n LYS 415 Ca 0.04 0.88 -0.07 0.00 -2.02 0.00 0.00 58.31 57.15 1j1n n LYS 415 Cb 0.31 -5.74 -0.01 0.00 -0.02 0.00 0.00 35.03 29.58 1j1n n LYS 415 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j1n h TYR 416 N -1.60 0.13 -2.71 2.13 0.99 -1.82 -3.45 116.97 110.63 1j1n h TYR 416 Ca -0.53 -0.07 -0.56 0.00 2.00 0.00 0.00 58.73 59.57 1j1n h TYR 416 Cb 1.36 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 39.06 1j1n h TYR 416 CO 0.51 0.91 1.10 0.08 -0.00 0.00 0.00 178.16 180.76 1j1n s VAL 417 N -3.11 3.70 0.12 -2.88 1.01 -1.26 -2.11 120.40 115.87 1j1n s VAL 417 Ca -0.01 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1j1n s VAL 417 Cb 0.11 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1j1n s VAL 417 CO 0.81 -0.20 1.09 -0.04 0.00 0.00 0.00 175.10 176.76 1j1n s MET 418 N 4.41 4.57 0.32 2.72 -1.94 -0.45 -4.98 119.30 123.95 1j1n s MET 418 Ca 0.71 1.66 -0.29 0.00 -1.71 0.00 0.00 55.69 56.06 1j1n s MET 418 Cb -0.27 -3.32 -0.11 0.00 2.01 0.00 0.00 34.83 33.13 1j1n s MET 418 CO 0.28 0.01 1.55 -2.14 -0.01 0.00 0.00 175.02 174.71 1j1n s PRO 419 N 0.14 4.12 0.56 2.03 0.02 -1.26 -4.73 135.00 135.88 1j1n s PRO 419 Ca 0.51 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 63.98 1j1n s PRO 419 Cb -0.28 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1j1n s PRO 419 CO 0.32 -0.59 0.98 0.20 -0.33 0.00 0.00 177.00 177.58 1j1n s GLY 420 N 0.26 1.79 0.04 0.52 0.00 -1.26 -4.95 107.32 103.73 1j1n s GLY 420 Ca 0.59 -0.05 -0.31 0.00 0.00 0.00 0.00 44.72 44.96 1j1n s GLY 420 CO 0.53 0.21 1.29 -0.12 0.00 0.00 0.00 173.10 175.01 1j1n s PHE 421 N -2.91 3.23 -2.58 1.90 5.99 0.41 -4.91 117.98 119.11 1j1n s PHE 421 Ca 0.55 1.10 0.25 0.00 0.00 0.00 0.00 56.93 58.84 1j1n s PHE 421 Cb -0.11 -3.53 0.52 0.00 0.00 0.00 0.00 43.02 39.90 1j1n s PHE 421 CO 0.44 -1.79 1.43 0.39 -0.00 0.00 0.00 175.22 175.69 1j1n n GLU 422 N 4.44 1.81 0.00 10.12 -0.58 -1.26 -4.85 120.64 130.32 1j1n n GLU 422 Ca 0.11 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1j1n n GLU 422 Cb 0.45 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1j1n n GLU 422 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j1n n GLY 423 N 1.30 -0.28 3.31 0.62 0.00 -1.26 -4.92 105.19 103.96 1j1n n GLY 423 Ca 0.15 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 1j1n n GLY 423 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j1n s VAL 424 N -1.59 1.52 -0.71 1.61 -7.23 -1.26 -5.04 120.40 107.70 1j1n s VAL 424 Ca 0.00 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1j1n s VAL 424 Cb 0.00 -1.96 0.19 0.00 0.56 0.00 0.00 36.38 35.16 1j1n s VAL 424 CO 0.00 -0.65 0.60 0.20 -0.31 0.00 0.00 175.10 174.95 1j1n s ASN 425 N -3.25 6.13 0.57 4.85 0.01 -1.26 -5.05 114.94 116.94 1j1n s ASN 425 Ca 0.20 -2.62 -0.11 0.00 -0.71 0.00 0.00 52.86 49.63 1j1n s ASN 425 Cb 0.00 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 1j1n s ASN 425 CO 0.04 -0.53 0.96 -0.04 -1.51 0.00 0.00 177.10 176.02 1j1n s MET 426 N 0.28 3.64 0.78 -0.60 -1.94 -1.26 -4.78 119.30 115.42 1j1n s MET 426 Ca 0.16 0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 54.70 1j1n s MET 426 Cb -0.16 -2.16 0.09 0.00 2.01 0.00 0.00 34.83 34.61 1j1n s MET 426 CO -0.06 -0.43 1.11 0.95 -0.01 0.00 0.00 175.02 176.58 1j1n s THR 427 N -2.98 2.14 0.18 2.05 -4.23 -1.26 -4.40 115.64 107.13 1j1n s THR 427 Ca 0.54 -0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.76 1j1n s THR 427 Cb -0.11 -2.98 0.09 0.00 1.34 0.00 0.00 72.50 70.85 1j1n s THR 427 CO 0.48 0.00 1.74 -0.09 -0.54 0.00 0.00 174.62 176.21 1j1n h ARG 428 N -0.89 0.32 -0.72 3.99 2.43 -1.98 -0.17 114.38 117.35 1j1n h ARG 428 Ca -0.44 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1j1n h ARG 428 Cb 1.31 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1j1n h ARG 428 CO 0.58 0.21 0.22 0.93 -1.51 0.00 0.00 179.97 180.40 1j1n h GLU 429 N 0.33 1.12 -0.30 0.20 3.07 -2.00 -1.37 114.58 115.63 1j1n h GLU 429 Ca 0.24 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1j1n h GLU 429 Cb 0.26 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1j1n h GLU 429 CO -0.25 0.96 -0.21 0.93 -1.40 0.00 0.00 179.01 179.04 1j1n h GLU 430 N 1.08 0.67 -0.32 2.33 5.08 -1.82 -3.08 114.58 118.51 1j1n h GLU 430 Ca 0.23 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1j1n h GLU 430 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1j1n h GLU 430 CO -0.01 0.92 0.10 -0.09 -1.00 0.00 0.00 179.01 178.93 1j1n h ARG 431 N 0.42 0.46 -0.59 2.33 9.65 -0.87 -2.10 114.38 123.68 1j1n h ARG 431 Ca 0.06 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1j1n h ARG 431 Cb 0.75 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1j1n h ARG 431 CO 0.06 0.41 0.31 0.00 2.80 0.00 0.00 179.97 183.55 1j1n h ALA 432 N 1.66 1.44 -0.25 2.80 0.00 -1.16 0.11 119.26 123.86 1j1n h ALA 432 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1j1n h ALA 432 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j1n h ALA 432 CO -0.01 0.46 -0.10 0.82 0.00 0.00 0.00 179.25 180.42 1j1n h ILE 433 N 0.83 1.29 -0.48 0.00 1.08 -1.41 -1.47 117.51 117.35 1j1n h ILE 433 Ca 0.21 -1.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1j1n h ILE 433 Cb 0.04 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 1j1n h ILE 433 CO -0.03 0.36 0.27 0.22 -0.69 0.00 0.00 178.15 178.28 1j1n h TYR 434 N 0.24 0.51 0.00 1.37 5.03 -1.11 -1.97 116.97 121.04 1j1n h TYR 434 Ca 0.06 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 1j1n h TYR 434 Cb 0.59 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 1j1n h TYR 434 CO 0.06 0.28 -0.27 -0.44 -1.32 0.00 0.00 178.16 176.47 1j1n h ASP 435 N 0.55 0.00 0.32 -2.11 3.32 -0.69 -1.51 116.42 116.30 1j1n h ASP 435 Ca 0.20 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.01 1j1n h ASP 435 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1j1n h ASP 435 CO -0.11 0.27 -1.01 0.50 -1.72 0.00 0.00 179.24 177.17 1j1n h LYS 436 N 0.00 0.44 0.00 3.56 3.64 -0.56 -3.43 116.57 120.23 1j1n h LYS 436 Ca -0.00 -0.51 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1j1n h LYS 436 Cb 0.56 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1j1n h LYS 436 CO 0.03 1.16 -1.26 0.66 -2.27 0.00 0.00 179.45 177.78 1j1n n TYR 437 N -3.74 0.00 -0.07 1.91 0.53 -0.83 -4.80 117.16 110.17 1j1n n TYR 437 Ca -0.08 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.72 1j1n n TYR 437 Cb 0.87 -0.19 -0.01 0.00 -1.03 0.00 0.00 39.34 38.99 1j1n n TYR 437 CO 0.00 0.00 0.00 2.35 -1.02 0.00 0.00 176.86 178.19 1j1n h TRP 438 N 0.00 -0.64 -0.92 -0.72 -0.00 -1.49 -1.28 115.95 110.91 1j1n h TRP 438 Ca -0.10 0.04 0.11 0.00 -0.00 0.00 0.00 58.89 58.94 1j1n h TRP 438 Cb 1.21 0.33 -0.08 0.00 -0.00 0.00 0.00 29.16 30.62 1j1n h TRP 438 CO 0.00 -0.32 0.55 0.00 -0.00 0.00 0.00 178.44 178.68 1j1n h ALA 439 N 0.85 1.36 -0.40 2.65 0.00 -1.86 0.52 119.26 122.38 1j1n h ALA 439 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1j1n h ALA 439 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1j1n h ALA 439 CO -0.41 0.15 0.03 0.22 0.00 0.00 0.00 179.25 179.24 1j1n h ASP 440 N 0.89 0.66 -0.47 0.00 3.58 -1.72 -2.20 116.42 117.16 1j1n h ASP 440 Ca 0.45 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1j1n h ASP 440 Cb 0.44 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1j1n h ASP 440 CO -0.26 0.79 0.21 0.58 -2.88 0.00 0.00 179.24 177.67 1j1n h VAL 441 N 0.52 1.20 -0.69 2.25 2.07 -0.38 -1.96 116.25 119.25 1j1n h VAL 441 Ca 0.12 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1j1n h VAL 441 Cb 0.43 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1j1n h VAL 441 CO 0.02 0.22 0.42 -0.09 0.02 0.00 0.00 177.57 178.16 1j1n h ARG 442 N 0.62 0.94 -0.57 1.57 2.43 -0.84 0.43 114.38 118.96 1j1n h ARG 442 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1j1n h ARG 442 Cb 0.16 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1j1n h ARG 442 CO -0.02 0.66 0.19 1.15 -1.51 0.00 0.00 179.97 180.44 1j1n h THR 443 N 0.94 1.24 -0.57 0.20 2.02 -1.25 -1.67 112.91 113.82 1j1n h THR 443 Ca 0.25 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1j1n h THR 443 Cb -0.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1j1n h THR 443 CO -0.05 0.30 0.18 0.22 0.37 0.00 0.00 175.52 176.54 1j1n h TYR 444 N 0.79 0.91 -0.15 3.16 3.20 -0.93 -1.85 116.97 122.11 1j1n h TYR 444 Ca 0.18 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1j1n h TYR 444 Cb 0.27 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1j1n h TYR 444 CO 0.02 0.77 0.06 0.52 -1.64 0.00 0.00 178.16 177.89 1j1n h MET 445 N 0.80 0.14 -0.76 1.82 2.86 -0.66 -1.43 114.93 117.69 1j1n h MET 445 Ca 0.18 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1j1n h MET 445 Cb 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1j1n h MET 445 CO -0.01 0.09 0.37 -0.92 1.06 0.00 0.00 176.91 177.50 1j1n h TYR 446 N 0.14 1.10 -0.45 -0.22 5.03 -1.19 0.13 116.97 121.52 1j1n h TYR 446 Ca 0.06 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1j1n h TYR 446 Cb 0.02 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 1j1n h TYR 446 CO -0.10 0.81 0.26 0.93 -1.32 0.00 0.00 178.16 178.75 1j1n h GLU 447 N 1.08 0.62 -0.50 1.82 5.08 -1.06 -0.39 114.58 121.23 1j1n h GLU 447 Ca 0.26 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1j1n h GLU 447 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1j1n h GLU 447 CO -0.03 0.47 -0.00 0.52 -1.00 0.00 0.00 179.01 178.96 1j1n h MET 448 N 0.60 0.89 -0.64 2.33 2.86 -0.95 -2.40 114.93 117.61 1j1n h MET 448 Ca 0.16 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1j1n h MET 448 Cb 0.01 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1j1n h MET 448 CO -0.03 0.92 0.40 0.78 1.06 0.00 0.00 176.91 180.04 1j1n h GLY 449 N 0.76 0.92 1.02 8.32 0.00 -0.39 -0.69 103.07 113.01 1j1n h GLY 449 Ca 0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1j1n h GLY 449 CO 0.03 0.26 0.23 -1.61 0.00 0.00 0.00 176.54 175.44 1j1n h GLN 450 N 0.78 1.01 -0.90 4.80 4.15 -0.95 -1.32 115.11 122.69 1j1n h GLN 450 Ca 0.26 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1j1n h GLN 450 Cb 0.01 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 1j1n h GLN 450 CO -0.10 0.86 0.49 0.00 -1.93 0.00 0.00 178.83 178.16 1j1n h ALA 451 N 1.09 1.17 -0.41 3.38 0.00 -0.93 -0.23 119.26 123.33 1j1n h ALA 451 Ca 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1j1n h ALA 451 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1j1n h ALA 451 CO -0.01 0.67 -0.03 -1.49 0.00 0.00 0.00 179.25 178.38 1j1n h TRP 452 N 1.26 0.82 -0.24 0.00 6.55 -0.71 -0.64 115.95 122.99 1j1n h TRP 452 Ca 0.32 -0.16 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 1j1n h TRP 452 Cb 0.03 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 1j1n h TRP 452 CO 0.01 0.84 0.03 0.28 -1.05 0.00 0.00 178.44 178.55 1j1n h VAL 453 N 0.57 1.24 0.00 1.49 2.07 -0.94 -2.79 116.25 117.89 1j1n h VAL 453 Ca 0.11 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1j1n h VAL 453 Cb 0.53 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1j1n h VAL 453 CO 0.03 0.25 0.00 0.23 0.02 0.00 0.00 177.57 178.10 1j1n n MET 454 N -4.68 0.09 -1.01 1.57 2.81 -0.13 -4.66 117.12 111.11 1j1n n MET 454 Ca -0.03 0.13 -0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1j1n n MET 454 Cb 0.21 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1j1n n MET 454 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j1n n GLY 455 N 0.55 0.47 0.03 3.03 0.00 -0.41 -4.92 105.19 103.94 1j1n n GLY 455 Ca 0.06 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1j1n n GLY 455 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j1n n THR 456 N -2.96 0.15 -3.82 2.61 -2.24 -0.38 -4.76 114.28 102.88 1j1n n THR 456 Ca -0.00 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1j1n n THR 456 Cb 0.02 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 1j1n n THR 456 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j1n s LYS 457 N -3.03 0.15 -0.04 -0.78 1.02 -1.15 -5.02 119.74 110.88 1j1n s LYS 457 Ca 0.12 0.20 -0.23 0.00 0.02 0.00 0.00 55.97 56.08 1j1n s LYS 457 Cb 0.17 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1j1n s LYS 457 CO 0.58 -0.03 0.68 0.34 -0.92 0.00 0.00 175.35 176.00 1j1n s ASP 458 N 0.17 7.01 0.07 2.83 2.15 -1.26 -4.19 116.67 123.44 1j1n s ASP 458 Ca -0.01 1.21 -0.31 0.00 0.43 0.00 0.00 52.55 53.88 1j1n s ASP 458 Cb -0.02 -2.41 -0.15 0.00 -0.30 0.00 0.00 42.92 40.04 1j1n s ASP 458 CO -0.00 -0.05 1.47 0.58 -0.17 0.00 0.00 175.17 177.00 1j1n h VAL 459 N 4.54 0.00 -0.65 1.11 2.07 -1.96 -2.23 116.25 119.13 1j1n h VAL 459 Ca -0.42 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1j1n h VAL 459 Cb 1.20 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1j1n h VAL 459 CO 0.74 0.00 0.38 0.44 0.02 0.00 0.00 177.57 179.15 1j1n h ASP 460 N -0.91 0.60 0.84 0.57 3.45 -1.95 -0.45 116.42 118.57 1j1n h ASP 460 Ca -0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1j1n h ASP 460 Cb 0.77 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 1j1n h ASP 460 CO -0.01 0.41 0.00 0.11 -1.57 0.00 0.00 179.24 178.18 1j1n h LYS 461 N 0.74 0.00 -0.01 3.56 1.57 -1.98 -3.17 116.57 117.28 1j1n h LYS 461 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1j1n h LYS 461 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1j1n h LYS 461 CO -0.14 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.99 1j1n n THR 462 N -2.66 0.04 -0.25 -0.16 -2.24 -0.84 -4.74 114.28 103.43 1j1n n THR 462 Ca 0.01 -0.52 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 1j1n n THR 462 Cb 0.26 1.04 0.07 0.00 -2.10 0.00 0.00 70.33 69.59 1j1n n THR 462 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1j1n h TRP 463 N 0.55 0.86 -0.67 4.78 2.91 -1.06 0.13 115.95 123.45 1j1n h TRP 463 Ca 0.00 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 1j1n h TRP 463 Cb 0.14 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1j1n h TRP 463 CO 0.00 0.52 0.13 -0.44 -1.03 0.00 0.00 178.44 177.62 1j1n h ASP 464 N 0.91 1.04 -0.37 2.65 3.45 -1.85 -0.07 116.42 122.19 1j1n h ASP 464 Ca 0.27 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1j1n h ASP 464 Cb -0.04 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 1j1n h ASP 464 CO -0.09 1.02 0.13 -0.08 -1.57 0.00 0.00 179.24 178.66 1j1n h GLU 465 N 1.02 0.56 -0.41 3.56 4.81 -1.75 -1.28 114.58 121.09 1j1n h GLU 465 Ca 0.21 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1j1n h GLU 465 Cb 0.41 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1j1n h GLU 465 CO 0.01 0.55 0.16 -0.92 -0.73 0.00 0.00 179.01 178.08 1j1n h TYR 466 N 0.44 0.28 -0.71 0.92 5.03 -0.38 -1.06 116.97 121.49 1j1n h TYR 466 Ca 0.12 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 1j1n h TYR 466 Cb 0.21 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 1j1n h TYR 466 CO 0.00 0.12 0.26 1.96 -1.32 0.00 0.00 178.16 179.19 1j1n h GLN 467 N 0.33 1.07 -0.53 1.82 1.08 -0.77 -0.84 115.11 117.28 1j1n h GLN 467 Ca 0.18 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1j1n h GLN 467 Cb 0.15 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1j1n h GLN 467 CO -0.18 0.88 0.30 0.00 -0.95 0.00 0.00 178.83 178.89 1j1n h ARG 468 N 1.04 0.73 -0.73 1.46 3.08 -0.58 -2.48 114.38 116.90 1j1n h ARG 468 Ca 0.24 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1j1n h ARG 468 Cb 0.23 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1j1n h ARG 468 CO -0.02 0.56 0.40 1.96 -1.07 0.00 0.00 179.97 181.80 1j1n h GLN 469 N 0.70 1.02 -1.01 0.04 1.08 -0.72 -1.55 115.11 114.67 1j1n h GLN 469 Ca 0.19 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1j1n h GLN 469 Cb 0.03 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 1j1n h GLN 469 CO -0.03 0.76 0.67 -0.07 -0.95 0.00 0.00 178.83 179.21 1j1n h LEU 470 N 1.01 1.15 -0.02 1.46 3.38 -0.86 -0.70 115.31 120.73 1j1n h LEU 470 Ca 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1j1n h LEU 470 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1j1n h LEU 470 CO -0.04 0.83 -0.02 0.50 0.09 0.00 0.00 178.44 179.80 1j1n h LYS 471 N 1.36 0.06 0.00 1.13 3.64 -1.04 -1.07 116.57 120.64 1j1n h LYS 471 Ca 0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1j1n h LYS 471 Cb -0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1j1n h LYS 471 CO -0.09 0.50 0.00 1.47 -2.27 0.00 0.00 179.45 179.07 1j1n n LEU 472 N -4.82 0.00 -0.76 5.20 -0.00 -0.62 -1.39 117.00 114.61 1j1n n LEU 472 Ca -0.08 0.44 0.12 0.00 -0.00 0.00 0.00 56.01 56.49 1j1n n LEU 472 Cb 0.26 -0.44 0.18 0.00 -0.00 0.00 0.00 43.42 43.42 1j1n n LEU 472 CO 0.34 -0.18 0.63 0.54 -0.00 0.00 0.00 177.39 178.73 1j1n n ARG 473 N -1.44 1.95 -0.57 1.47 1.74 -0.28 -4.98 116.66 114.55 1j1n n ARG 473 Ca 0.05 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 1j1n n ARG 473 Cb 0.18 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1j1n n ARG 473 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j1n n GLY 474 N 1.33 0.73 0.20 -0.13 0.00 -0.49 -4.74 105.19 102.09 1j1n n GLY 474 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1j1n n GLY 474 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j1n h LEU 475 N 0.00 0.17 -1.38 0.99 5.85 -1.39 -1.31 115.31 118.24 1j1n h LEU 475 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1j1n h LEU 475 Cb 0.00 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1j1n h LEU 475 CO 0.00 0.12 -0.17 1.88 -0.34 0.00 0.00 178.44 179.94 1j1n h TYR 476 N 0.35 0.00 0.03 1.25 -1.99 -1.85 -0.71 116.97 114.05 1j1n h TYR 476 Ca 0.25 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.73 1j1n h TYR 476 Cb 0.27 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.01 1j1n h TYR 476 CO -0.17 0.17 -1.02 0.37 -0.00 0.00 0.00 178.16 177.50 1j1n h GLN 477 N 0.00 0.47 -0.47 4.88 4.15 -1.71 -2.23 115.11 120.18 1j1n h GLN 477 Ca -0.00 -0.54 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 1j1n h GLN 477 Cb 0.61 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1j1n h GLN 477 CO 0.02 1.18 0.24 0.28 -1.93 0.00 0.00 178.83 178.62 1j1n h VAL 478 N 0.24 1.18 -0.93 2.39 2.07 -0.73 -1.68 116.25 118.78 1j1n h VAL 478 Ca -0.11 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1j1n h VAL 478 Cb 1.68 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1j1n h VAL 478 CO 0.18 0.20 0.56 -0.07 0.02 0.00 0.00 177.57 178.46 1j1n h LEU 479 N 0.62 1.13 -0.62 2.57 3.38 -1.12 -0.80 115.31 120.46 1j1n h LEU 479 Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1j1n h LEU 479 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1j1n h LEU 479 CO -0.02 0.87 0.28 -0.61 0.09 0.00 0.00 178.44 179.04 1j1n h GLN 480 N 1.29 0.91 -0.67 1.13 4.15 -0.99 0.20 115.11 121.13 1j1n h GLN 480 Ca 0.33 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1j1n h GLN 480 Cb -0.05 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1j1n h GLN 480 CO -0.06 0.75 0.21 0.52 -1.93 0.00 0.00 178.83 178.31 1j1n h MET 481 N 0.86 1.05 -0.14 1.69 2.86 -0.82 -1.71 114.93 118.72 1j1n h MET 481 Ca 0.21 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1j1n h MET 481 Cb 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1j1n h MET 481 CO -0.02 0.91 -0.41 0.52 1.06 0.00 0.00 176.91 178.97 1j1n h MET 482 N 0.98 0.31 -0.57 1.72 2.86 -0.76 -2.50 114.93 116.97 1j1n h MET 482 Ca 0.22 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1j1n h MET 482 Cb 0.30 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1j1n h MET 482 CO -0.01 0.67 -0.02 0.37 1.06 0.00 0.00 176.91 178.99 1j1n h GLN 483 N 0.26 1.01 -0.51 1.72 5.75 -0.19 0.01 115.11 123.16 1j1n h GLN 483 Ca 0.02 -0.32 -0.03 0.00 -0.15 0.00 0.00 58.65 58.17 1j1n h GLN 483 Cb 0.84 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1j1n h GLN 483 CO 0.07 1.00 0.19 1.96 -2.65 0.00 0.00 178.83 179.40 1j1n h GLN 484 N 0.92 0.78 -0.62 1.69 4.20 -1.10 -0.92 115.11 120.05 1j1n h GLN 484 Ca 0.16 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1j1n h GLN 484 Cb 0.56 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1j1n h GLN 484 CO 0.03 0.70 0.13 0.00 -0.67 0.00 0.00 178.83 179.01 1j1n h ALA 485 N 1.04 0.82 -0.22 3.87 0.00 -1.19 -2.20 119.26 121.38 1j1n h ALA 485 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j1n h ALA 485 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1j1n h ALA 485 CO -0.01 0.56 0.12 -0.92 0.00 0.00 0.00 179.25 178.99 1j1n h TYR 486 N 0.93 0.30 -0.30 0.00 3.20 -0.71 -2.67 116.97 117.72 1j1n h TYR 486 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1j1n h TYR 486 Cb 0.39 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1j1n h TYR 486 CO 0.03 0.27 0.12 -0.44 -1.64 0.00 0.00 178.16 176.50 1j1n h ASP 487 N 0.24 0.37 -0.72 -2.11 3.32 -1.05 0.92 116.42 117.39 1j1n h ASP 487 Ca 0.08 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1j1n h ASP 487 Cb 0.07 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1j1n h ASP 487 CO -0.01 0.34 0.29 -0.09 -1.72 0.00 0.00 179.24 178.05 1j1n h ARG 488 N 0.42 1.09 0.12 3.56 2.43 -1.07 -0.42 114.38 120.50 1j1n h ARG 488 Ca 0.10 -0.19 -0.33 0.00 -0.81 0.00 0.00 59.98 58.76 1j1n h ARG 488 Cb 0.09 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1j1n h ARG 488 CO -0.01 0.88 -1.73 0.37 -1.51 0.00 0.00 179.97 177.97 1j1n h GLN 489 N 1.06 0.26 0.00 0.20 4.15 -1.09 -3.42 115.11 116.27 1j1n h GLN 489 Ca 0.25 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1j1n h GLN 489 Cb 0.20 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1j1n h GLN 489 CO -0.02 1.21 -1.30 0.66 -1.93 0.00 0.00 178.83 177.45 1j1n n TYR 490 N -3.72 0.00 -4.09 3.99 4.02 0.24 -5.04 117.16 112.56 1j1n n TYR 490 Ca -0.29 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.42 1j1n n TYR 490 Cb 0.98 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 40.07 1j1n n TYR 490 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1j1n n LYS 491 N -1.76 1.11 -0.06 -0.72 5.02 -0.17 -5.02 118.16 116.57 1j1n n LYS 491 Ca -0.01 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1j1n n LYS 491 Cb 0.31 0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.74 1j1n n LYS 491 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15