#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inj s VAL 8 N 0.00 5.21 0.47 0.00 1.01 -1.26 -5.07 120.40 120.76 3inj s VAL 8 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 3inj s VAL 8 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 3inj s VAL 8 CO 0.00 0.46 1.38 -2.84 0.00 0.00 0.00 175.10 174.10 3inj s PRO 9 N 0.28 3.56 0.27 2.72 0.02 -1.26 -4.88 135.00 135.71 3inj s PRO 9 Ca 0.07 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 3inj s PRO 9 Cb -0.11 -2.54 -0.13 0.00 0.02 0.00 0.00 34.50 31.73 3inj s PRO 9 CO -0.01 -0.88 1.30 0.00 -0.33 0.00 0.00 177.00 177.07 3inj n ALA 10 N -0.42 0.85 -1.82 -1.55 0.00 -1.26 -4.96 120.51 111.35 3inj n ALA 10 Ca 0.07 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 3inj n ALA 10 Cb 0.43 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.60 3inj n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3inj s PRO 11 N -1.04 4.21 -0.49 0.00 0.04 -1.26 -5.03 135.00 131.42 3inj s PRO 11 Ca 0.63 1.11 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 3inj s PRO 11 Cb -0.64 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 31.76 3inj s PRO 11 CO 0.55 -0.05 0.82 1.21 0.04 0.00 0.00 177.00 179.57 3inj s ASN 12 N -2.24 6.36 0.04 6.66 3.84 -1.26 -4.93 114.94 123.40 3inj s ASN 12 Ca 0.62 -0.32 0.23 0.00 0.21 0.00 0.00 52.86 53.60 3inj s ASN 12 Cb -0.09 -2.39 0.93 0.00 -0.55 0.00 0.00 41.25 39.15 3inj s ASN 12 CO 0.14 -1.02 1.71 0.00 -2.79 0.00 0.00 177.10 175.14 3inj n GLN 13 N 6.90 0.04 -3.28 0.43 6.02 -1.26 -3.45 117.38 122.78 3inj n GLN 13 Ca 0.01 0.15 -0.25 0.00 -0.01 0.00 0.00 57.00 56.90 3inj n GLN 13 Cb 0.47 -1.56 -0.08 0.00 1.02 0.00 0.00 30.24 30.10 3inj n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3inj n GLN 14 N -1.63 0.93 -1.91 -1.09 6.02 -1.26 -5.01 117.38 113.43 3inj n GLN 14 Ca 0.05 -3.46 -0.41 0.00 -0.01 0.00 0.00 57.00 53.17 3inj n GLN 14 Cb 0.27 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 3inj n GLN 14 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3inj s PRO 15 N -1.19 4.19 0.40 -1.09 0.04 -1.22 -5.00 135.00 131.13 3inj s PRO 15 Ca 0.35 2.45 -0.24 0.00 0.04 0.00 0.00 61.00 63.60 3inj s PRO 15 Cb 0.14 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 3inj s PRO 15 CO -0.11 -0.43 1.05 -2.00 0.04 0.00 0.00 177.00 175.55 3inj s GLU 16 N -1.81 4.15 -0.10 4.56 2.12 -1.26 -5.03 118.70 121.33 3inj s GLU 16 Ca 0.53 1.52 -0.15 0.00 0.36 0.00 0.00 54.97 57.22 3inj s GLU 16 Cb -0.44 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 3inj s GLU 16 CO 0.58 -0.15 0.38 0.08 -0.54 0.00 0.00 175.26 175.60 3inj s VAL 17 N -1.66 5.20 -0.05 3.70 1.01 -1.26 -4.98 120.40 122.37 3inj s VAL 17 Ca 0.58 0.74 0.06 0.00 0.00 0.00 0.00 61.98 63.36 3inj s VAL 17 Cb -0.22 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 3inj s VAL 17 CO 0.28 0.43 0.06 0.49 0.00 0.00 0.00 175.10 176.36 3inj n PHE 18 N 3.05 0.00 -4.22 5.22 3.01 -1.26 -5.00 117.46 118.26 3inj n PHE 18 Ca -0.11 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.08 3inj n PHE 18 Cb 0.52 -0.27 -0.17 0.00 -0.01 0.00 0.00 39.48 39.56 3inj n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3inj n ASN 20 N 4.47 0.30 -2.13 0.00 6.94 -1.26 -4.72 115.26 118.86 3inj n ASN 20 Ca -0.17 -1.92 -0.04 0.00 -0.02 0.00 0.00 54.58 52.43 3inj n ASN 20 Cb 0.51 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.79 3inj n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3inj n GLN 21 N 0.25 1.41 -2.95 -3.83 6.02 -1.26 -1.18 117.38 115.85 3inj n GLN 21 Ca -0.03 -0.52 -0.40 0.00 -0.01 0.00 0.00 57.00 56.05 3inj n GLN 21 Cb 0.91 0.20 -0.05 0.00 1.02 0.00 0.00 30.24 32.32 3inj n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3inj s ILE 22 N -1.48 4.85 -0.37 5.09 1.01 -0.07 -4.72 121.20 125.51 3inj s ILE 22 Ca 0.01 1.66 -0.09 0.00 0.00 0.00 0.00 60.65 62.23 3inj s ILE 22 Cb 0.00 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.38 3inj s ILE 22 CO 0.01 0.29 0.19 0.12 0.00 0.00 0.00 174.94 175.54 3inj s PHE 23 N 0.41 3.26 -0.02 3.97 5.36 0.14 0.03 117.98 131.14 3inj s PHE 23 Ca 0.41 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.18 3inj s PHE 23 Cb -0.20 -2.48 0.03 0.00 -0.34 0.00 0.00 43.02 40.03 3inj s PHE 23 CO 0.22 -0.71 0.02 0.42 -1.46 0.00 0.00 175.22 173.71 3inj s ILE 24 N 1.49 0.03 -1.46 3.12 1.01 -0.70 -0.70 121.20 123.98 3inj s ILE 24 Ca 0.01 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3inj s ILE 24 Cb -0.20 -0.13 0.05 0.00 0.01 0.00 0.00 42.46 42.19 3inj s ILE 24 CO 0.05 0.10 0.95 0.59 0.00 0.00 0.00 174.94 176.63 3inj n ASN 25 N 4.03 -5.43 -1.29 3.58 3.02 -1.26 -1.67 115.26 116.23 3inj n ASN 25 Ca -0.26 -0.60 -0.17 0.00 -0.03 0.00 0.00 54.58 53.53 3inj n ASN 25 Cb 0.51 -4.33 -0.07 0.00 -0.61 0.00 0.00 39.78 35.28 3inj n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3inj n ASN 26 N -2.80 -5.22 -4.38 6.41 5.03 -1.26 -4.68 115.26 108.36 3inj n ASN 26 Ca 0.01 0.42 -0.20 0.00 0.87 0.00 0.00 54.58 55.67 3inj n ASN 26 Cb 0.55 -4.21 -0.10 0.00 -1.02 0.00 0.00 39.78 35.00 3inj n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3inj s GLU 27 N -3.41 1.43 -0.17 3.52 2.02 -0.67 -5.03 118.70 116.38 3inj s GLU 27 Ca 0.00 -1.63 -0.09 0.00 0.02 0.00 0.00 54.97 53.27 3inj s GLU 27 Cb 0.00 -1.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.86 3inj s GLU 27 CO 0.00 0.23 0.13 -1.58 0.02 0.00 0.00 175.26 174.07 3inj s TRP 28 N -2.78 3.48 0.04 1.61 0.52 -1.26 -1.72 118.94 118.82 3inj s TRP 28 Ca 0.24 0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.82 3inj s TRP 28 Cb -0.02 -2.08 -0.02 0.00 -1.15 0.00 0.00 33.47 30.20 3inj s TRP 28 CO 0.09 0.45 -0.16 -1.01 0.02 0.00 0.00 176.95 176.34 3inj s HIS 29 N -0.14 1.41 0.61 -1.98 3.76 0.10 -4.93 115.29 114.12 3inj s HIS 29 Ca 0.10 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.52 3inj s HIS 29 Cb -0.11 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 3inj s HIS 29 CO 0.00 0.05 1.04 -0.51 -0.85 0.00 0.00 174.74 174.48 3inj s ASP 30 N -1.13 5.87 0.53 1.40 -0.00 -1.26 -0.89 116.67 121.19 3inj s ASP 30 Ca 0.04 1.69 -0.22 0.00 -0.00 0.00 0.00 52.55 54.05 3inj s ASP 30 Cb -0.08 -2.51 -0.05 0.00 -0.00 0.00 0.00 42.92 40.27 3inj s ASP 30 CO 0.01 -1.11 1.34 0.00 -0.00 0.00 0.00 175.17 175.41 3inj n ALA 31 N -2.30 1.52 -0.17 5.23 0.00 -1.26 -4.87 120.51 118.66 3inj n ALA 31 Ca 0.08 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.78 3inj n ALA 31 Cb 0.53 -2.34 0.44 0.00 0.00 0.00 0.00 19.45 18.09 3inj n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3inj h VAL 32 N 1.49 0.87 -0.00 0.00 2.07 -1.94 0.25 116.25 118.99 3inj h VAL 32 Ca -0.50 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3inj h VAL 32 Cb 1.30 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3inj h VAL 32 CO 0.57 0.10 -0.07 -1.54 0.02 0.00 0.00 177.57 176.65 3inj n SER 33 N -4.49 0.37 0.00 0.57 3.41 -1.26 -4.90 113.62 107.32 3inj n SER 33 Ca 0.13 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3inj n SER 33 Cb 0.42 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3inj n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3inj n ARG 34 N -0.96 -0.70 -2.00 4.33 3.00 0.87 -4.96 116.66 116.25 3inj n ARG 34 Ca 0.16 0.17 -0.38 0.00 -0.01 0.00 0.00 57.85 57.79 3inj n ARG 34 Cb 0.25 -4.67 0.01 0.00 0.00 0.00 0.00 32.46 28.06 3inj n ARG 34 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3inj s LYS 35 N -1.35 3.51 0.35 5.56 1.02 -1.26 -4.87 119.74 122.71 3inj s LYS 35 Ca 0.00 2.06 0.03 0.00 0.02 0.00 0.00 55.97 58.09 3inj s LYS 35 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3inj s LYS 35 CO 0.00 -0.84 0.12 0.95 -0.92 0.00 0.00 175.35 174.67 3inj s THR 36 N -1.38 0.64 -0.02 2.17 -4.23 -1.26 -1.51 115.64 110.05 3inj s THR 36 Ca 0.66 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3inj s THR 36 Cb -0.36 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 70.99 3inj s THR 36 CO 0.43 0.00 0.16 0.72 -0.54 0.00 0.00 174.62 175.40 3inj s PHE 37 N -3.37 -0.05 0.19 3.99 -0.12 -0.09 -4.78 117.98 113.75 3inj s PHE 37 Ca 0.31 0.09 -0.28 0.00 -0.05 0.00 0.00 56.93 56.99 3inj s PHE 37 Cb 0.05 -0.00 -0.08 0.00 -0.63 0.00 0.00 43.02 42.35 3inj s PHE 37 CO 0.16 -0.23 0.88 -2.14 -0.05 0.00 0.00 175.22 173.83 3inj s PRO 38 N -0.90 4.72 -0.09 1.99 0.02 -1.26 0.13 135.00 139.60 3inj s PRO 38 Ca -0.10 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 3inj s PRO 38 Cb -0.05 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 3inj s PRO 38 CO 0.01 0.49 -0.06 -0.08 -0.33 0.00 0.00 177.00 177.03 3inj s THR 39 N -0.96 3.78 0.04 0.99 -1.32 -0.81 -4.95 115.64 112.41 3inj s THR 39 Ca 0.40 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.47 3inj s THR 39 Cb -0.24 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.13 3inj s THR 39 CO 0.29 0.57 -0.00 -0.69 -2.21 0.00 0.00 174.62 172.58 3inj s VAL 40 N -0.47 4.06 -0.43 5.08 1.01 -1.26 -1.09 120.40 127.31 3inj s VAL 40 Ca 0.07 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 3inj s VAL 40 Cb -0.12 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3inj s VAL 40 CO 0.02 0.27 1.07 0.21 0.00 0.00 0.00 175.10 176.67 3inj s ASN 41 N -1.86 6.68 0.09 3.32 3.04 -0.71 -4.80 114.94 120.69 3inj s ASN 41 Ca 0.22 0.55 0.17 0.00 0.04 0.00 0.00 52.86 53.84 3inj s ASN 41 Cb -0.12 -2.52 0.72 0.00 -1.54 0.00 0.00 41.25 37.79 3inj s ASN 41 CO 0.13 -1.10 1.53 -0.81 -3.04 0.00 0.00 177.10 173.81 3inj n PRO 42 N 7.42 0.06 0.10 0.43 -0.04 -1.26 0.83 135.00 142.54 3inj n PRO 42 Ca 0.11 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 3inj n PRO 42 Cb 0.48 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 3inj n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3inj h SER 43 N 0.00 0.00 0.00 3.54 0.02 -1.89 -2.42 113.55 112.80 3inj h SER 43 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3inj h SER 43 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3inj h SER 43 CO 0.00 0.68 -0.83 0.35 -1.14 0.00 0.00 176.83 175.89 3inj n THR 44 N -3.24 0.00 -0.97 -2.27 -2.24 -0.99 -3.62 114.28 100.96 3inj n THR 44 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3inj n THR 44 Cb 0.82 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3inj n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inj n GLY 45 N 2.22 0.59 3.82 3.38 0.00 0.24 -4.56 105.19 110.88 3inj n GLY 45 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3inj n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3inj s GLU 46 N -0.26 3.78 0.14 1.61 0.41 -1.21 -4.80 118.70 118.37 3inj s GLU 46 Ca 0.00 -0.00 -0.34 0.00 -0.41 0.00 0.00 54.97 54.21 3inj s GLU 46 Cb 0.00 -3.27 -0.14 0.00 -1.78 0.00 0.00 34.13 28.94 3inj s GLU 46 CO 0.00 0.60 1.59 0.28 -0.49 0.00 0.00 175.26 177.24 3inj n VAL 47 N 2.46 0.05 -0.07 2.63 0.31 -1.26 -1.75 118.33 120.70 3inj n VAL 47 Ca -0.17 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 3inj n VAL 47 Cb 0.53 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 3inj n VAL 47 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3inj h ILE 48 N 3.75 1.48 -2.02 2.52 2.04 -1.44 -3.46 117.51 120.37 3inj h ILE 48 Ca -0.45 -2.32 0.27 0.00 1.00 0.00 0.00 64.86 63.36 3inj h ILE 48 Cb 1.26 3.01 -0.08 0.00 -0.74 0.00 0.00 36.82 40.27 3inj h ILE 48 CO 0.89 0.54 0.75 0.00 0.00 0.00 0.00 178.15 180.33 3inj s GLN 50 N -2.35 3.68 0.01 0.00 1.11 -1.26 -1.93 119.66 118.92 3inj s GLN 50 Ca 0.20 0.04 0.02 0.00 0.01 0.00 0.00 55.36 55.64 3inj s GLN 50 Cb 0.01 -2.71 -0.01 0.00 -1.01 0.00 0.00 33.01 29.28 3inj s GLN 50 CO 0.00 0.33 -0.07 0.08 0.01 0.00 0.00 175.29 175.63 3inj s VAL 51 N -1.87 0.56 0.07 1.09 1.01 0.12 -4.87 120.40 116.51 3inj s VAL 51 Ca 0.44 -0.53 -0.34 0.00 0.00 0.00 0.00 61.98 61.55 3inj s VAL 51 Cb -0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 36.38 35.62 3inj s VAL 51 CO 0.26 -0.00 1.69 0.00 0.00 0.00 0.00 175.10 177.04 3inj n ALA 52 N 2.47 1.20 -3.10 5.51 0.00 -0.32 -0.92 120.51 125.34 3inj n ALA 52 Ca -0.16 0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.22 3inj n ALA 52 Cb 0.57 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 3inj n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3inj s GLU 53 N 2.05 3.56 0.45 0.00 2.12 -0.57 -4.34 118.70 121.97 3inj s GLU 53 Ca 0.84 -2.00 -0.23 0.00 0.36 0.00 0.00 54.97 53.94 3inj s GLU 53 Cb -0.68 -4.67 -0.08 0.00 0.26 0.00 0.00 34.13 28.97 3inj s GLU 53 CO 0.43 -1.56 1.13 0.20 -0.54 0.00 0.00 175.26 174.92 3inj s GLY 54 N 3.04 2.75 0.00 -1.50 0.00 0.36 -4.76 107.32 107.22 3inj s GLY 54 Ca 0.25 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3inj s GLY 54 CO -0.08 1.31 0.00 1.34 0.00 0.00 0.00 173.10 175.67 3inj n ASP 55 N -0.45 0.25 -0.18 1.64 -0.08 -1.26 -4.24 116.55 112.22 3inj n ASP 55 Ca 0.07 -0.31 -0.04 0.00 -1.51 0.00 0.00 54.79 53.00 3inj n ASP 55 Cb 0.49 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.97 3inj n ASP 55 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3inj h LYS 56 N 0.00 -0.10 -0.94 -0.67 3.64 -1.91 -1.18 116.57 115.40 3inj h LYS 56 Ca 0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3inj h LYS 56 Cb 0.00 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 3inj h LYS 56 CO 0.00 -0.07 0.60 0.93 -2.27 0.00 0.00 179.45 178.64 3inj h GLU 57 N -0.11 0.94 -0.00 1.90 5.08 -1.97 -0.32 114.58 120.09 3inj h GLU 57 Ca 0.25 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3inj h GLU 57 Cb 0.50 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3inj h GLU 57 CO -0.62 0.62 -0.85 -0.44 -1.00 0.00 0.00 179.01 176.72 3inj h ASP 58 N 0.97 0.26 -0.45 1.42 3.32 -1.67 -2.49 116.42 117.78 3inj h ASP 58 Ca 0.44 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3inj h ASP 58 Cb 0.39 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3inj h ASP 58 CO -0.20 0.99 0.14 0.58 -1.72 0.00 0.00 179.24 179.03 3inj h VAL 59 N 0.11 1.22 -0.64 -1.35 2.07 -0.48 -1.49 116.25 115.70 3inj h VAL 59 Ca -0.04 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3inj h VAL 59 Cb 1.47 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3inj h VAL 59 CO 0.13 0.27 0.43 0.44 0.02 0.00 0.00 177.57 178.85 3inj h ASP 60 N 0.58 0.73 -0.48 0.57 3.32 -0.99 0.12 116.42 120.27 3inj h ASP 60 Ca 0.14 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3inj h ASP 60 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3inj h ASP 60 CO -0.00 0.52 -0.05 0.11 -1.72 0.00 0.00 179.24 178.10 3inj h LYS 61 N 0.85 0.89 -0.22 3.56 1.57 -1.14 -2.28 116.57 119.80 3inj h LYS 61 Ca 0.24 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3inj h LYS 61 Cb -0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3inj h LYS 61 CO -0.05 0.95 -0.43 0.00 -0.57 0.00 0.00 179.45 179.34 3inj h ALA 62 N 0.91 0.83 -0.48 3.86 0.00 -0.57 -2.32 119.26 121.49 3inj h ALA 62 Ca 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3inj h ALA 62 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3inj h ALA 62 CO 0.03 0.65 -0.21 0.28 0.00 0.00 0.00 179.25 180.01 3inj h VAL 63 N 0.44 1.27 -0.45 0.00 2.07 -0.71 -1.27 116.25 117.60 3inj h VAL 63 Ca 0.03 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 3inj h VAL 63 Cb 0.94 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3inj h VAL 63 CO 0.08 0.47 -0.16 0.11 0.02 0.00 0.00 177.57 178.10 3inj h LYS 64 N 0.84 0.86 -0.28 1.57 1.57 -1.35 0.11 116.57 119.88 3inj h LYS 64 Ca 0.11 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3inj h LYS 64 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3inj h LYS 64 CO 0.06 0.95 0.14 0.00 -0.57 0.00 0.00 179.45 180.04 3inj h ALA 65 N 1.06 0.36 -0.11 3.86 0.00 -1.27 -1.36 119.26 121.81 3inj h ALA 65 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3inj h ALA 65 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3inj h ALA 65 CO 0.05 -0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.27 3inj h ALA 66 N 1.01 0.13 -0.58 0.00 0.00 -0.91 -1.68 119.26 117.23 3inj h ALA 66 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3inj h ALA 66 Cb 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3inj h ALA 66 CO -0.01 -0.34 0.30 -0.09 0.00 0.00 0.00 179.25 179.11 3inj h ARG 67 N 0.10 0.56 -0.55 0.00 9.65 -0.71 -2.00 114.38 121.42 3inj h ARG 67 Ca 0.04 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3inj h ARG 67 Cb 0.05 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3inj h ARG 67 CO -0.01 0.37 0.31 0.00 2.80 0.00 0.00 179.97 183.44 3inj h ALA 68 N 1.31 0.71 0.00 2.80 0.00 -1.05 -1.83 119.26 121.19 3inj h ALA 68 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3inj h ALA 68 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3inj h ALA 68 CO -0.17 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3inj h ALA 69 N 1.14 1.00 -0.01 0.00 0.00 -0.61 -2.45 119.26 118.33 3inj h ALA 69 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3inj h ALA 69 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3inj h ALA 69 CO -0.03 0.00 -0.55 0.34 0.00 0.00 0.00 179.25 179.00 3inj n PHE 70 N -2.45 0.00 -1.73 0.00 7.35 -0.71 -4.39 117.46 115.53 3inj n PHE 70 Ca -0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3inj n PHE 70 Cb 0.15 -0.01 -0.01 0.00 0.35 0.00 0.00 39.48 39.96 3inj n PHE 70 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3inj n GLN 71 N -0.29 2.47 -1.60 -4.13 1.13 -0.93 -4.87 117.38 109.17 3inj n GLN 71 Ca 0.08 0.88 -0.52 0.00 -1.94 0.00 0.00 57.00 55.50 3inj n GLN 71 Cb 0.44 -2.59 -0.06 0.00 0.11 0.00 0.00 30.24 28.14 3inj n GLN 71 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3inj n LEU 72 N 1.57 1.78 0.00 1.08 7.94 -1.26 -1.15 117.00 126.96 3inj n LEU 72 Ca 0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 3inj n LEU 72 Cb 0.36 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3inj n LEU 72 CO 0.63 -0.98 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 3inj n GLY 73 N 2.61 0.72 3.80 -3.96 0.00 -1.26 -5.06 105.19 102.03 3inj n GLY 73 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3inj n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 74 N -2.79 4.70 0.26 1.61 1.04 -0.30 -4.79 113.70 113.44 3inj s SER 74 Ca 0.00 1.45 -0.03 0.00 0.48 0.00 0.00 55.95 57.85 3inj s SER 74 Cb 0.00 -2.22 0.40 0.00 0.10 0.00 0.00 66.02 64.30 3inj s SER 74 CO 0.00 -1.85 1.87 -0.65 0.98 0.00 0.00 173.24 173.58 3inj h PRO 75 N -1.01 1.06 -0.57 4.02 0.11 -1.88 -0.29 132.00 133.45 3inj h PRO 75 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3inj h PRO 75 Cb 1.25 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3inj h PRO 75 CO 0.58 0.70 -0.01 2.35 -0.21 0.00 0.00 178.00 181.41 3inj h TRP 76 N 1.10 1.11 -0.43 0.65 -0.00 -1.93 -1.52 115.95 114.92 3inj h TRP 76 Ca 0.42 -0.20 -0.14 0.00 -0.00 0.00 0.00 58.89 58.98 3inj h TRP 76 Cb 0.20 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.06 3inj h TRP 76 CO -0.01 1.00 -0.27 0.00 -0.00 0.00 0.00 178.44 179.16 3inj h ARG 77 N 0.90 0.91 0.00 2.65 2.47 -1.66 -3.25 114.38 116.40 3inj h ARG 77 Ca 0.16 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3inj h ARG 77 Cb 0.57 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3inj h ARG 77 CO 0.03 1.07 -0.42 0.00 0.56 0.00 0.00 179.97 181.20 3inj h ARG 78 N 0.78 0.00 -6.72 0.04 3.08 -1.03 -3.47 114.38 107.05 3inj h ARG 78 Ca 0.09 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.58 3inj h ARG 78 Cb 0.83 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.98 3inj h ARG 78 CO 0.07 0.00 0.61 -0.12 -1.07 0.00 0.00 179.97 179.47 3inj n MET 79 N -2.43 2.22 -1.75 0.04 1.56 -0.58 -4.91 117.12 111.27 3inj n MET 79 Ca 0.03 0.78 -0.42 0.00 -0.27 0.00 0.00 57.70 57.83 3inj n MET 79 Cb 0.47 -2.43 -0.01 0.00 2.15 0.00 0.00 33.22 33.41 3inj n MET 79 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3inj n ASP 80 N 1.36 3.62 -0.35 6.12 8.00 -1.26 -4.88 116.55 129.17 3inj n ASP 80 Ca 0.07 1.20 0.02 0.00 0.71 0.00 0.00 54.79 56.79 3inj n ASP 80 Cb 0.35 -1.59 0.18 0.00 -0.02 0.00 0.00 41.12 40.05 3inj n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3inj h ALA 81 N 3.38 1.41 -0.21 2.24 0.00 -1.91 0.60 119.26 124.77 3inj h ALA 81 Ca -0.49 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.40 3inj h ALA 81 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3inj h ALA 81 CO 0.68 0.47 0.14 0.66 0.00 0.00 0.00 179.25 181.20 3inj h SER 82 N 1.17 0.21 0.02 0.00 4.64 -1.90 -2.08 113.55 115.61 3inj h SER 82 Ca 0.40 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.53 3inj h SER 82 Cb 0.10 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3inj h SER 82 CO -0.14 0.15 -0.67 -0.74 -0.87 0.00 0.00 176.83 174.56 3inj h HIS 83 N 0.25 0.80 -0.79 4.77 6.17 -1.26 -1.81 115.15 123.28 3inj h HIS 83 Ca 0.08 -0.33 0.15 0.00 0.71 0.00 0.00 60.37 60.98 3inj h HIS 83 Cb 0.02 -0.13 -0.09 0.00 2.52 0.00 0.00 27.41 29.72 3inj h HIS 83 CO -0.00 1.11 0.36 0.00 0.71 0.00 0.00 177.93 180.11 3inj h ARG 84 N 0.44 0.50 -0.75 5.26 3.08 -0.69 0.07 114.38 122.30 3inj h ARG 84 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3inj h ARG 84 Cb 1.26 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 3inj h ARG 84 CO 0.13 0.33 0.41 0.78 -1.07 0.00 0.00 179.97 180.55 3inj h GLY 85 N 0.52 1.12 0.96 0.04 0.00 -1.11 -1.45 103.07 103.14 3inj h GLY 85 Ca 0.44 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.27 3inj h GLY 85 CO -0.39 0.49 0.27 3.21 0.00 0.00 0.00 176.54 180.12 3inj h ARG 86 N 1.04 0.54 -0.67 4.80 2.47 -0.34 -1.16 114.38 121.06 3inj h ARG 86 Ca 0.26 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.98 3inj h ARG 86 Cb 0.04 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 3inj h ARG 86 CO -0.04 0.36 0.41 -0.07 0.56 0.00 0.00 179.97 181.19 3inj h LEU 87 N 0.56 0.67 -0.55 3.04 3.38 -0.74 -0.30 115.31 121.36 3inj h LEU 87 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3inj h LEU 87 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3inj h LEU 87 CO -0.05 0.46 0.28 -0.07 0.09 0.00 0.00 178.44 179.15 3inj h LEU 88 N 0.80 0.70 -1.05 1.67 3.38 -0.88 -0.49 115.31 119.43 3inj h LEU 88 Ca 0.27 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3inj h LEU 88 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3inj h LEU 88 CO -0.11 0.61 -0.04 0.78 0.09 0.00 0.00 178.44 179.77 3inj h ASN 89 N 0.74 0.60 -0.20 -0.43 2.35 -0.90 -0.61 115.58 117.13 3inj h ASN 89 Ca 0.19 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3inj h ASN 89 Cb 0.08 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3inj h ASN 89 CO -0.03 0.70 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.34 3inj h ARG 90 N 0.59 0.37 -0.80 0.81 9.65 -0.81 -1.09 114.38 123.10 3inj h ARG 90 Ca 0.12 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 58.95 3inj h ARG 90 Cb 0.43 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 3inj h ARG 90 CO 0.02 0.59 0.46 1.25 2.80 0.00 0.00 179.97 185.09 3inj h LEU 91 N 0.11 0.66 -0.45 3.80 5.85 -0.77 -1.23 115.31 123.28 3inj h LEU 91 Ca 0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3inj h LEU 91 Cb 0.44 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3inj h LEU 91 CO 0.01 0.39 0.29 0.00 -0.34 0.00 0.00 178.44 178.80 3inj h ALA 92 N 1.43 0.58 -0.63 1.25 0.00 -0.93 -1.12 119.26 119.84 3inj h ALA 92 Ca 0.38 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3inj h ALA 92 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3inj h ALA 92 CO -0.23 0.01 0.42 -0.44 0.00 0.00 0.00 179.25 179.01 3inj h ASP 93 N 0.60 0.70 -0.24 0.00 3.32 -0.32 0.18 116.42 120.66 3inj h ASP 93 Ca 0.17 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 3inj h ASP 93 Cb -0.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3inj h ASP 93 CO -0.05 0.50 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.44 3inj h LEU 94 N 0.82 0.81 -1.19 1.55 3.38 -0.81 -0.70 115.31 119.16 3inj h LEU 94 Ca 0.24 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3inj h LEU 94 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3inj h LEU 94 CO -0.06 1.20 -0.05 0.40 0.09 0.00 0.00 178.44 180.02 3inj h ILE 95 N 0.46 1.21 -0.37 1.22 2.04 -0.70 -1.56 117.51 119.80 3inj h ILE 95 Ca 0.01 -0.86 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 3inj h ILE 95 Cb 1.06 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3inj h ILE 95 CO 0.10 0.29 -0.40 -0.08 0.00 0.00 0.00 178.15 178.06 3inj h GLU 96 N 0.47 0.91 -0.62 2.37 4.81 -0.75 -2.39 114.58 119.38 3inj h GLU 96 Ca 0.10 -0.48 0.09 0.00 -0.13 0.00 0.00 59.36 58.93 3inj h GLU 96 Cb 0.39 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 3inj h GLU 96 CO 0.02 1.13 0.26 -0.09 -0.73 0.00 0.00 179.01 179.60 3inj h ARG 97 N 0.74 0.45 -0.96 1.92 2.43 -0.65 -2.79 114.38 115.52 3inj h ARG 97 Ca 0.06 -0.03 -0.41 0.00 -0.81 0.00 0.00 59.98 58.79 3inj h ARG 97 Cb 0.99 -0.10 -0.24 0.00 -0.42 0.00 0.00 29.97 30.19 3inj h ARG 97 CO 0.10 0.30 0.52 -0.25 -1.51 0.00 0.00 179.97 179.12 3inj n ASP 98 N -4.95 3.80 -0.04 -3.80 8.00 -0.63 -4.73 116.55 114.21 3inj n ASP 98 Ca 0.09 -3.34 -0.12 0.00 0.71 0.00 0.00 54.79 52.13 3inj n ASP 98 Cb 0.25 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 3inj n ASP 98 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3inj h ARG 99 N 1.13 0.22 -0.26 -1.24 2.43 -1.14 -0.87 114.38 114.65 3inj h ARG 99 Ca 0.50 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.51 3inj h ARG 99 Cb 2.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 32.06 3inj h ARG 99 CO 0.91 0.42 -0.26 1.79 -1.51 0.00 0.00 179.97 181.31 3inj h THR 100 N -0.02 1.27 -0.16 0.20 1.35 -1.86 -0.40 112.91 113.30 3inj h THR 100 Ca 0.04 -1.30 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3inj h THR 100 Cb 0.31 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3inj h THR 100 CO 0.00 0.41 0.04 0.22 -0.25 0.00 0.00 175.52 175.94 3inj h TYR 101 N 0.44 0.28 -0.17 4.73 3.20 -1.87 -0.90 116.97 122.69 3inj h TYR 101 Ca 0.06 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3inj h TYR 101 Cb 0.69 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3inj h TYR 101 CO 0.02 0.41 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.54 3inj h LEU 102 N 0.06 0.35 -0.35 2.82 3.38 -1.08 -1.10 115.31 119.40 3inj h LEU 102 Ca 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3inj h LEU 102 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3inj h LEU 102 CO 0.00 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.32 3inj h ALA 103 N 1.34 0.46 -0.32 1.53 0.00 -0.92 -0.18 119.26 121.17 3inj h ALA 103 Ca 0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3inj h ALA 103 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3inj h ALA 103 CO 0.06 0.10 -0.27 0.00 0.00 0.00 0.00 179.25 179.13 3inj h ALA 104 N 0.94 0.47 -0.25 0.00 0.00 -0.99 -2.11 119.26 117.33 3inj h ALA 104 Ca 0.11 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3inj h ALA 104 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3inj h ALA 104 CO -0.00 0.48 -0.11 1.25 0.00 0.00 0.00 179.25 180.87 3inj h LEU 105 N 0.53 0.39 0.27 0.00 5.85 -1.15 0.01 115.31 121.21 3inj h LEU 105 Ca 0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3inj h LEU 105 Cb 0.84 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3inj h LEU 105 CO 0.07 0.54 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.50 3inj h GLU 106 N 0.39 -0.35 -0.89 1.25 4.57 -0.84 -1.77 114.58 116.94 3inj h GLU 106 Ca 0.08 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 3inj h GLU 106 Cb 0.43 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 3inj h GLU 106 CO 0.02 -0.14 0.58 1.15 -1.18 0.00 0.00 179.01 179.45 3inj h THR 107 N -0.50 1.04 -0.51 0.32 2.02 -1.19 0.22 112.91 114.31 3inj h THR 107 Ca -0.04 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 3inj h THR 107 Cb 0.37 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3inj h THR 107 CO 0.06 0.18 -0.08 0.25 0.37 0.00 0.00 175.52 176.30 3inj h LEU 108 N 0.99 0.92 0.00 2.58 5.85 -0.80 -0.10 115.31 124.75 3inj h LEU 108 Ca 0.39 -0.28 -0.32 0.00 0.84 0.00 0.00 57.88 58.52 3inj h LEU 108 Cb 0.25 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3inj h LEU 108 CO -0.15 1.02 -2.03 -0.67 -0.34 0.00 0.00 178.44 176.27 3inj n ASP 109 N -4.16 0.43 -0.12 1.25 2.03 -0.68 -4.37 116.55 110.92 3inj n ASP 109 Ca 0.02 0.20 -0.18 0.00 0.52 0.00 0.00 54.79 55.35 3inj n ASP 109 Cb 0.37 0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 41.17 3inj n ASP 109 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3inj n ASN 110 N -2.87 2.08 0.00 1.67 2.85 0.73 -4.60 115.26 115.12 3inj n ASN 110 Ca -0.24 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 3inj n ASN 110 Cb 1.08 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.69 3inj n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3inj n GLY 111 N 2.27 1.89 3.77 8.20 0.00 -0.05 -4.54 105.19 116.71 3inj n GLY 111 Ca -0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3inj n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inj s LYS 112 N -0.32 3.50 0.24 1.61 -2.85 -1.26 -3.97 119.74 116.68 3inj s LYS 112 Ca 0.00 1.83 -0.31 0.00 -1.00 0.00 0.00 55.97 56.49 3inj s LYS 112 Cb 0.00 -2.26 -0.14 0.00 -2.06 0.00 0.00 37.83 33.37 3inj s LYS 112 CO 0.00 -0.78 1.35 -2.30 0.10 0.00 0.00 175.35 173.72 3inj n PRO 113 N -0.84 1.89 -0.08 1.78 -0.02 -1.26 -4.36 135.00 132.11 3inj n PRO 113 Ca 0.09 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 3inj n PRO 113 Cb 0.48 -2.29 0.44 0.00 -0.02 0.00 0.00 33.50 32.11 3inj n PRO 113 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3inj h TYR 114 N 3.91 0.55 -0.61 6.00 3.20 -1.51 -0.57 116.97 127.94 3inj h TYR 114 Ca -0.45 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.40 3inj h TYR 114 Cb 1.29 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3inj h TYR 114 CO 0.55 0.30 0.25 0.28 -1.64 0.00 0.00 178.16 177.90 3inj h VAL 115 N 0.55 1.22 0.00 1.81 2.07 -1.90 -0.13 116.25 119.87 3inj h VAL 115 Ca 0.24 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3inj h VAL 115 Cb 0.25 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3inj h VAL 115 CO -0.07 0.27 -0.78 0.40 0.02 0.00 0.00 177.57 177.42 3inj h ILE 116 N 0.88 1.37 -0.70 4.57 1.08 -1.66 -1.00 117.51 122.05 3inj h ILE 116 Ca 0.21 -2.15 0.10 0.00 -0.39 0.00 0.00 64.86 62.62 3inj h ILE 116 Cb 0.17 2.53 -0.07 0.00 -3.07 0.00 0.00 36.82 36.38 3inj h ILE 116 CO -0.02 0.64 0.33 -1.28 -0.69 0.00 0.00 178.15 177.13 3inj h SER 117 N 0.08 0.40 0.26 1.72 0.87 -0.91 0.22 113.55 116.19 3inj h SER 117 Ca -0.10 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3inj h SER 117 Cb 1.47 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 3inj h SER 117 CO 0.15 0.22 -0.12 0.22 -0.53 0.00 0.00 176.83 176.77 3inj h TYR 118 N 0.55 -0.32 0.00 2.24 3.20 -1.01 -0.91 116.97 120.72 3inj h TYR 118 Ca 0.35 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 3inj h TYR 118 Cb 0.41 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3inj h TYR 118 CO -0.12 0.04 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.99 3inj h LEU 119 N -0.89 0.00 0.00 2.82 3.38 -1.13 -3.28 115.31 116.22 3inj h LEU 119 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3inj h LEU 119 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3inj h LEU 119 CO 0.06 0.38 0.00 0.52 0.09 0.00 0.00 178.44 179.48 3inj n VAL 120 N -3.21 0.00 -0.04 1.22 0.31 0.75 -4.45 118.33 112.90 3inj n VAL 120 Ca 0.02 0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 3inj n VAL 120 Cb 0.67 -1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.44 3inj n VAL 120 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3inj h ASP 121 N 0.00 -0.74 0.30 4.52 3.32 -1.31 -0.55 116.42 121.97 3inj h ASP 121 Ca 0.00 0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 3inj h ASP 121 Cb 0.00 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3inj h ASP 121 CO 0.00 -0.27 -0.70 -0.07 -1.72 0.00 0.00 179.24 176.48 3inj h LEU 122 N -0.24 0.41 -0.85 1.55 4.07 -1.29 -0.66 115.31 118.30 3inj h LEU 122 Ca 0.13 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.85 3inj h LEU 122 Cb 0.45 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 3inj h LEU 122 CO -0.37 0.99 0.56 -0.78 -1.08 0.00 0.00 178.44 177.75 3inj h ASP 123 N 0.24 0.94 0.75 -0.43 3.58 -1.56 -1.46 116.42 118.48 3inj h ASP 123 Ca -0.02 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.28 3inj h ASP 123 Cb 1.26 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 3inj h ASP 123 CO 0.12 0.66 -0.61 0.24 -2.88 0.00 0.00 179.24 176.77 3inj h MET 124 N 1.10 0.00 -0.11 0.28 2.86 -0.76 -1.10 114.93 117.20 3inj h MET 124 Ca 0.33 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3inj h MET 124 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3inj h MET 124 CO -0.10 0.61 -0.00 0.28 1.06 0.00 0.00 176.91 178.77 3inj h VAL 125 N 0.00 1.26 -0.42 -2.22 2.07 -0.86 -1.01 116.25 115.07 3inj h VAL 125 Ca -0.01 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3inj h VAL 125 Cb 1.15 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3inj h VAL 125 CO 0.08 0.24 0.23 -0.07 0.02 0.00 0.00 177.57 178.07 3inj h LEU 126 N -0.08 0.36 -0.92 2.57 3.38 -1.17 -1.75 115.31 117.71 3inj h LEU 126 Ca 0.03 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3inj h LEU 126 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3inj h LEU 126 CO 0.01 0.26 -0.30 0.11 0.09 0.00 0.00 178.44 178.61 3inj h LYS 127 N 0.47 0.43 -0.07 1.13 1.57 -1.17 -1.64 116.57 117.28 3inj h LYS 127 Ca 0.17 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3inj h LYS 127 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3inj h LYS 127 CO -0.09 0.69 -0.16 0.00 -0.57 0.00 0.00 179.45 179.32 3inj h LEU 129 N -0.24 0.66 -0.85 0.00 3.38 -1.29 -1.80 115.31 115.16 3inj h LEU 129 Ca 0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3inj h LEU 129 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3inj h LEU 129 CO 0.04 0.65 -0.07 0.03 0.09 0.00 0.00 178.44 179.18 3inj h ARG 130 N 0.62 0.78 0.28 1.13 3.08 -1.36 -0.83 114.38 118.09 3inj h ARG 130 Ca 0.16 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3inj h ARG 130 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3inj h ARG 130 CO -0.01 0.84 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.60 3inj h TYR 131 N 0.72 -0.54 0.00 3.04 3.20 -1.09 -3.06 116.97 119.25 3inj h TYR 131 Ca 0.13 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3inj h TYR 131 Cb 0.54 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3inj h TYR 131 CO 0.03 -0.31 -0.33 1.88 -1.64 0.00 0.00 178.16 177.78 3inj h TYR 132 N -0.49 0.00 -0.78 -3.82 -1.99 -1.18 -2.19 116.97 106.51 3inj h TYR 132 Ca -0.02 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.85 3inj h TYR 132 Cb 0.42 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.06 3inj h TYR 132 CO -0.12 0.33 0.34 0.00 -0.00 0.00 0.00 178.16 178.72 3inj h ALA 133 N 1.67 1.13 0.00 3.88 0.00 -1.05 -1.14 119.26 123.74 3inj h ALA 133 Ca -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3inj h ALA 133 Cb 0.76 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3inj h ALA 133 CO 0.04 -0.18 -0.22 0.78 0.00 0.00 0.00 179.25 179.68 3inj h GLY 134 N 0.49 0.00 2.00 0.00 0.00 -1.32 -2.73 103.07 101.51 3inj h GLY 134 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3inj h GLY 134 CO -0.39 0.00 0.00 1.49 0.00 0.00 0.00 176.54 177.64 3inj h TRP 135 N 0.00 0.00 -0.88 5.60 -0.00 -1.21 -3.38 115.95 116.08 3inj h TRP 135 Ca -0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.89 59.07 3inj h TRP 135 Cb 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 29.16 29.56 3inj h TRP 135 CO 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 178.44 178.87 3inj h ALA 136 N 2.41 1.37 -0.35 1.49 0.00 -1.25 -2.11 119.26 120.81 3inj h ALA 136 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3inj h ALA 136 Cb 0.76 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3inj h ALA 136 CO 0.00 -0.19 -0.03 -0.40 0.00 0.00 0.00 179.25 178.63 3inj n ASP 137 N -4.93 2.80 0.00 0.00 3.85 -1.26 -4.62 116.55 112.39 3inj n ASP 137 Ca 0.20 -3.61 0.00 0.00 -0.71 0.00 0.00 54.79 50.67 3inj n ASP 137 Cb 0.53 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.68 3inj n ASP 137 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3inj n LYS 138 N -1.01 0.11 -2.58 0.11 5.02 -0.80 -4.92 118.16 114.09 3inj n LYS 138 Ca 0.32 -0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 3inj n LYS 138 Cb 1.03 -0.70 0.01 0.00 -0.02 0.00 0.00 35.03 35.34 3inj n LYS 138 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3inj n TYR 139 N -0.06 3.06 -1.85 2.13 9.36 -1.23 -5.01 117.16 123.56 3inj n TYR 139 Ca 0.00 -2.83 -0.40 0.00 3.32 0.00 0.00 57.90 57.99 3inj n TYR 139 Cb 0.23 -1.80 0.01 0.00 -0.63 0.00 0.00 39.34 37.14 3inj n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3inj s HIS 140 N -0.29 2.53 0.00 2.98 3.76 -1.26 -4.83 115.29 118.18 3inj s HIS 140 Ca 0.38 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 3inj s HIS 140 Cb 0.07 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.88 3inj s HIS 140 CO 0.03 -2.77 0.00 0.41 -0.85 0.00 0.00 174.74 171.55 3inj n GLY 141 N 0.59 -0.93 3.26 -2.22 0.00 -1.26 -4.93 105.19 99.70 3inj n GLY 141 Ca 0.05 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 3inj n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inj s LYS 142 N -1.80 1.13 -0.17 1.61 1.02 -1.21 -4.93 119.74 115.39 3inj s LYS 142 Ca 0.00 -1.06 -0.08 0.00 0.02 0.00 0.00 55.97 54.85 3inj s LYS 142 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 3inj s LYS 142 CO 0.00 0.31 0.10 0.95 -0.92 0.00 0.00 175.35 175.79 3inj s THR 143 N -1.07 5.14 -0.13 2.17 -4.23 -1.26 -0.12 115.64 116.13 3inj s THR 143 Ca 0.05 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3inj s THR 143 Cb -0.10 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.45 3inj s THR 143 CO 0.03 0.49 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.81 3inj s ILE 144 N 0.07 1.59 -1.02 2.99 1.01 0.29 -4.99 121.20 121.14 3inj s ILE 144 Ca 0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 3inj s ILE 144 Cb -0.12 -1.46 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 3inj s ILE 144 CO -0.00 0.46 2.40 -0.81 0.00 0.00 0.00 174.94 176.99 3inj n PRO 145 N 4.37 2.47 -1.64 2.79 -0.04 -1.26 -4.12 135.00 137.57 3inj n PRO 145 Ca -0.18 -1.59 -0.37 0.00 -0.04 0.00 0.00 63.50 61.32 3inj n PRO 145 Cb 0.51 -2.49 0.08 0.00 -0.04 0.00 0.00 33.50 31.56 3inj n PRO 145 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3inj n ILE 146 N 3.88 4.50 -1.71 0.52 3.06 -1.26 -4.97 119.36 123.38 3inj n ILE 146 Ca 0.53 -0.46 -0.40 0.00 -2.50 0.00 0.00 62.75 59.92 3inj n ILE 146 Cb 0.21 -1.43 0.03 0.00 0.54 0.00 0.00 39.64 38.99 3inj n ILE 146 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3inj n ASP 147 N -2.01 2.40 0.00 9.51 9.92 -1.26 -4.81 116.55 130.30 3inj n ASP 147 Ca 0.15 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 3inj n ASP 147 Cb 0.48 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 3inj n ASP 147 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3inj n GLY 148 N 0.84 -0.09 2.64 0.44 0.00 -1.26 -4.61 105.19 103.15 3inj n GLY 148 Ca 0.09 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3inj n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3inj n ASP 149 N -0.32 5.97 -4.13 1.61 8.00 -1.26 -4.70 116.55 121.73 3inj n ASP 149 Ca 0.00 -2.93 -0.11 0.00 0.71 0.00 0.00 54.79 52.46 3inj n ASP 149 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.47 3inj n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3inj s PHE 150 N 1.32 0.80 -0.25 1.24 0.40 -1.26 -1.63 117.98 118.60 3inj s PHE 150 Ca 0.50 -0.77 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3inj s PHE 150 Cb 0.14 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 43.21 3inj s PHE 150 CO -0.05 -0.13 -0.00 0.12 0.70 0.00 0.00 175.22 175.85 3inj s PHE 151 N -2.83 3.05 -0.05 0.36 5.36 0.15 -4.84 117.98 119.17 3inj s PHE 151 Ca 0.04 -1.06 0.05 0.00 -0.96 0.00 0.00 56.93 55.00 3inj s PHE 151 Cb -0.00 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.53 3inj s PHE 151 CO -0.03 -0.59 -0.20 0.45 -1.46 0.00 0.00 175.22 173.39 3inj s SER 152 N 1.46 2.49 0.22 6.13 0.15 -1.26 0.50 113.70 123.39 3inj s SER 152 Ca 0.04 -0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 3inj s SER 152 Cb -0.16 -0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 63.42 3inj s SER 152 CO -0.01 0.18 0.40 -0.72 1.20 0.00 0.00 173.24 174.28 3inj s TYR 153 N 0.01 0.42 0.00 3.44 -0.85 -0.46 -0.55 117.35 119.37 3inj s TYR 153 Ca -0.05 -0.77 0.07 0.00 -0.52 0.00 0.00 57.07 55.81 3inj s TYR 153 Cb -0.13 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3inj s TYR 153 CO 0.03 -0.89 -0.23 0.95 -1.52 0.00 0.00 175.55 173.90 3inj s THR 154 N -4.01 2.39 -0.21 -3.49 -4.23 0.82 -0.67 115.64 106.24 3inj s THR 154 Ca 0.22 -1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 3inj s THR 154 Cb 0.01 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3inj s THR 154 CO 0.06 0.48 0.10 -0.13 -0.54 0.00 0.00 174.62 174.60 3inj s ARG 155 N -0.95 3.99 -0.73 3.99 0.52 0.59 -3.36 118.95 123.01 3inj s ARG 155 Ca 0.12 -0.32 -0.21 0.00 -0.52 0.00 0.00 55.73 54.80 3inj s ARG 155 Cb -0.10 -3.36 0.10 0.00 0.52 0.00 0.00 34.95 32.10 3inj s ARG 155 CO 0.01 0.15 0.96 -1.01 0.02 0.00 0.00 175.30 175.43 3inj s HIS 156 N 0.75 2.88 0.35 -0.53 3.76 -1.26 -1.23 115.29 120.02 3inj s HIS 156 Ca 0.05 -0.90 0.04 0.00 -0.15 0.00 0.00 55.06 54.11 3inj s HIS 156 Cb -0.13 -4.23 -0.01 0.00 1.11 0.00 0.00 32.58 29.32 3inj s HIS 156 CO 0.02 -1.52 0.51 -1.21 -0.85 0.00 0.00 174.74 171.69 3inj s GLU 157 N 3.33 3.19 0.47 1.40 2.02 -0.76 -4.93 118.70 123.43 3inj s GLU 157 Ca 0.23 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 54.23 3inj s GLU 157 Cb -0.15 -2.75 -0.07 0.00 0.10 0.00 0.00 34.13 31.26 3inj s GLU 157 CO 0.03 0.04 1.13 -2.14 0.02 0.00 0.00 175.26 174.34 3inj s PRO 158 N -4.26 3.73 0.33 0.39 0.02 -1.26 -0.35 135.00 133.61 3inj s PRO 158 Ca 0.44 1.67 0.09 0.00 0.02 0.00 0.00 61.00 63.21 3inj s PRO 158 Cb -0.10 -2.32 0.59 0.00 0.02 0.00 0.00 34.50 32.70 3inj s PRO 158 CO 0.33 -0.55 1.78 -0.24 -0.33 0.00 0.00 177.00 177.99 3inj h VAL 159 N 1.75 1.27 0.00 3.83 3.04 -1.75 -3.39 116.25 121.00 3inj h VAL 159 Ca -0.49 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 3inj h VAL 159 Cb 1.24 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3inj h VAL 159 CO 0.60 0.38 0.00 0.61 -1.01 0.00 0.00 177.57 178.15 3inj n GLY 160 N -0.41 0.27 3.59 3.17 0.00 -1.26 -4.85 105.19 105.70 3inj n GLY 160 Ca -0.01 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 3inj n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inj s VAL 161 N 0.00 4.33 -0.27 1.61 1.01 -1.26 -2.09 120.40 123.73 3inj s VAL 161 Ca 0.00 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.03 3inj s VAL 161 Cb 0.00 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 3inj s VAL 161 CO 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 175.10 174.32 3inj s GLY 163 N 1.63 2.66 -0.11 0.00 0.00 0.31 -0.83 107.32 110.97 3inj s GLY 163 Ca 0.06 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 3inj s GLY 163 CO 0.05 1.37 -0.08 1.20 0.00 0.00 0.00 173.10 175.64 3inj s GLN 164 N 0.98 1.56 -0.26 2.90 -0.21 -0.45 -0.85 119.66 123.33 3inj s GLN 164 Ca 0.42 -0.27 -0.04 0.00 0.02 0.00 0.00 55.36 55.49 3inj s GLN 164 Cb -0.19 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.24 3inj s GLN 164 CO 0.20 -0.26 -0.01 0.42 -2.12 0.00 0.00 175.29 173.53 3inj s ILE 165 N 1.68 3.34 0.17 1.08 1.01 -0.49 -0.51 121.20 127.47 3inj s ILE 165 Ca 0.05 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.93 3inj s ILE 165 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3inj s ILE 165 CO -0.08 0.17 -0.10 0.27 0.00 0.00 0.00 174.94 175.20 3inj s ILE 166 N 1.41 3.18 0.62 2.92 -4.36 -0.80 -2.00 121.20 122.17 3inj s ILE 166 Ca 0.02 -1.60 -0.03 0.00 -0.26 0.00 0.00 60.65 58.77 3inj s ILE 166 Cb -0.17 -2.56 0.13 0.00 1.25 0.00 0.00 42.46 41.12 3inj s ILE 166 CO -0.02 -0.07 0.84 -0.81 0.24 0.00 0.00 174.94 175.13 3inj n PRO 167 N 0.18 -0.18 0.00 0.37 -0.04 -1.25 -3.17 135.00 130.91 3inj n PRO 167 Ca -0.11 -2.05 0.10 0.00 -0.04 0.00 0.00 63.50 61.39 3inj n PRO 167 Cb 0.55 -0.64 -0.10 0.00 -0.04 0.00 0.00 33.50 33.27 3inj n PRO 167 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3inj n TRP 168 N -2.73 0.00 0.09 0.54 4.27 -1.26 -4.37 117.44 113.97 3inj n TRP 168 Ca 0.13 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.67 3inj n TRP 168 Cb 0.47 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 3inj n TRP 168 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3inj h ASN 169 N 0.22 0.13 -2.32 -0.67 -1.07 -1.96 -3.35 115.58 106.56 3inj h ASN 169 Ca 0.00 -0.11 -0.59 0.00 0.07 0.00 0.00 56.30 55.67 3inj h ASN 169 Cb 0.49 -0.04 -0.39 0.00 -2.07 0.00 0.00 38.32 36.31 3inj h ASN 169 CO 0.00 0.95 -0.93 0.49 0.07 0.00 0.00 177.43 178.01 3inj n PHE 170 N -3.58 0.28 0.07 4.14 3.01 -1.26 -5.03 117.46 115.08 3inj n PHE 170 Ca -0.02 -3.61 -0.11 0.00 1.01 0.00 0.00 57.45 54.71 3inj n PHE 170 Cb 0.83 -0.14 -0.05 0.00 -0.01 0.00 0.00 39.48 40.11 3inj n PHE 170 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3inj h PRO 171 N 4.91 -0.30 -0.10 -1.08 0.11 -1.76 -0.51 132.00 133.26 3inj h PRO 171 Ca 0.18 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 3inj h PRO 171 Cb 0.85 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3inj h PRO 171 CO 0.49 -0.20 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.78 3inj h LEU 172 N -0.31 0.38 -0.97 2.35 3.38 -1.94 -2.93 115.31 115.26 3inj h LEU 172 Ca 0.05 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 3inj h LEU 172 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3inj h LEU 172 CO -0.16 0.88 0.58 0.25 0.09 0.00 0.00 178.44 180.09 3inj h LEU 173 N -0.11 1.13 -0.75 1.67 5.85 -1.81 -1.44 115.31 119.85 3inj h LEU 173 Ca -0.00 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3inj h LEU 173 Cb 0.83 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3inj h LEU 173 CO 0.05 0.86 -0.27 0.24 -0.34 0.00 0.00 178.44 178.98 3inj h MET 174 N 1.31 0.66 -0.37 1.25 2.86 -1.14 0.53 114.93 120.02 3inj h MET 174 Ca 0.34 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3inj h MET 174 Cb -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3inj h MET 174 CO -0.07 0.86 0.19 0.37 1.06 0.00 0.00 176.91 179.33 3inj h GLN 175 N 0.57 0.52 -0.64 1.72 4.15 -1.23 -2.60 115.11 117.59 3inj h GLN 175 Ca 0.07 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3inj h GLN 175 Cb 0.76 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 3inj h GLN 175 CO 0.06 0.44 0.14 0.00 -1.93 0.00 0.00 178.83 177.54 3inj h ALA 176 N 1.05 1.05 0.00 3.38 0.00 -0.95 0.31 119.26 124.09 3inj h ALA 176 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3inj h ALA 176 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3inj h ALA 176 CO -0.02 0.62 -0.06 -1.49 0.00 0.00 0.00 179.25 178.30 3inj h TRP 177 N 0.96 0.00 0.07 0.00 4.06 -0.69 -0.91 115.95 119.45 3inj h TRP 177 Ca 0.20 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.81 3inj h TRP 177 Cb 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.49 3inj h TRP 177 CO 0.02 0.06 -1.91 1.63 -3.56 0.00 0.00 178.44 174.68 3inj n LYS 178 N -4.11 0.69 -0.06 0.49 4.76 -1.00 -4.42 118.16 114.51 3inj n LYS 178 Ca -0.03 0.33 -0.15 0.00 -2.87 0.00 0.00 58.31 55.58 3inj n LYS 178 Cb 0.14 -1.68 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 3inj n LYS 178 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3inj h LEU 179 N -0.26 0.85 -0.34 -0.35 3.38 -0.85 -3.04 115.31 114.70 3inj h LEU 179 Ca -0.44 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.00 3inj h LEU 179 Cb 1.82 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 3inj h LEU 179 CO -0.04 1.26 -0.45 1.23 0.09 0.00 0.00 178.44 180.53 3inj h GLY 180 N 0.47 -1.19 0.93 0.83 0.00 -1.39 -0.67 103.07 102.06 3inj h GLY 180 Ca -0.01 0.75 -0.11 0.00 0.00 0.00 0.00 47.33 47.96 3inj h GLY 180 CO 0.12 -0.23 -0.27 -2.55 0.00 0.00 0.00 176.54 173.61 3inj h PRO 181 N -0.32 0.64 -0.70 4.80 0.11 -1.77 -1.52 132.00 133.24 3inj h PRO 181 Ca 0.06 -0.34 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3inj h PRO 181 Cb 0.48 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 3inj h PRO 181 CO -0.49 0.95 0.42 0.00 -0.21 0.00 0.00 178.00 178.67 3inj h ALA 182 N 0.68 0.89 0.11 -0.75 0.00 -1.42 -2.39 119.26 116.39 3inj h ALA 182 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3inj h ALA 182 Cb 0.83 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3inj h ALA 182 CO 0.07 0.36 -1.20 -0.07 0.00 0.00 0.00 179.25 178.41 3inj h LEU 183 N 0.95 0.48 -1.44 0.00 3.38 -1.16 0.12 115.31 117.64 3inj h LEU 183 Ca 0.25 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3inj h LEU 183 Cb -0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3inj h LEU 183 CO -0.05 1.36 0.49 0.00 0.09 0.00 0.00 178.44 180.33 3inj h ALA 184 N 0.58 1.86 -0.54 1.53 0.00 -1.11 -0.82 119.26 120.76 3inj h ALA 184 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3inj h ALA 184 Cb 1.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3inj h ALA 184 CO 0.20 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3inj n THR 185 N -4.50 0.72 -1.76 0.00 -2.24 -0.91 -4.33 114.28 101.26 3inj n THR 185 Ca 0.13 -0.78 -0.02 0.00 -2.27 0.00 0.00 64.05 61.11 3inj n THR 185 Cb 0.36 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3inj n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inj n GLY 186 N 1.46 0.36 3.93 3.38 0.00 -0.31 -4.16 105.19 109.84 3inj n GLY 186 Ca 0.20 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 3inj n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3inj s ASN 187 N -2.94 4.34 0.12 1.61 0.01 0.01 -4.80 114.94 113.29 3inj s ASN 187 Ca 0.00 0.46 0.09 0.00 -0.71 0.00 0.00 52.86 52.70 3inj s ASN 187 Cb 0.00 -0.92 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 3inj s ASN 187 CO 0.00 -1.95 -0.20 0.68 -1.51 0.00 0.00 177.10 174.12 3inj s VAL 188 N -3.47 2.69 -0.01 1.60 -7.23 -0.89 -4.61 120.40 108.47 3inj s VAL 188 Ca 0.64 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 3inj s VAL 188 Cb -0.09 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3inj s VAL 188 CO 0.48 0.10 -0.17 0.68 -0.31 0.00 0.00 175.10 175.88 3inj s VAL 189 N -1.12 1.34 -0.33 1.32 -7.23 0.86 -0.84 120.40 114.40 3inj s VAL 189 Ca 0.17 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 3inj s VAL 189 Cb -0.10 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.78 3inj s VAL 189 CO 0.09 0.36 0.07 -0.69 -0.31 0.00 0.00 175.10 174.62 3inj s VAL 190 N -0.42 3.30 -0.14 1.32 1.01 -0.01 -0.99 120.40 124.47 3inj s VAL 190 Ca 0.06 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 3inj s VAL 190 Cb -0.07 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3inj s VAL 190 CO -0.01 -0.22 -0.02 -0.32 0.00 0.00 0.00 175.10 174.53 3inj s MET 191 N 1.29 3.48 -0.24 2.72 1.75 0.14 -1.34 119.30 127.09 3inj s MET 191 Ca -0.02 -0.48 -0.05 0.00 -1.25 0.00 0.00 55.69 53.88 3inj s MET 191 Cb -0.20 -2.89 -0.01 0.00 2.84 0.00 0.00 34.83 34.57 3inj s MET 191 CO -0.00 0.38 0.02 0.21 -0.65 0.00 0.00 175.02 174.97 3inj s LYS 192 N -0.01 3.42 0.25 4.11 2.36 0.33 -0.33 119.74 129.88 3inj s LYS 192 Ca 0.02 -0.62 0.00 0.00 -2.55 0.00 0.00 55.97 52.82 3inj s LYS 192 Cb -0.13 -3.18 -0.04 0.00 -1.05 0.00 0.00 37.83 33.43 3inj s LYS 192 CO 0.02 -0.24 0.44 0.14 1.55 0.00 0.00 175.35 177.26 3inj s VAL 193 N 1.53 5.18 0.22 4.02 -7.23 -1.25 -1.90 120.40 120.96 3inj s VAL 193 Ca 0.05 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 3inj s VAL 193 Cb -0.15 -3.78 -0.09 0.00 0.56 0.00 0.00 36.38 32.92 3inj s VAL 193 CO -0.00 -0.30 1.31 0.00 -0.31 0.00 0.00 175.10 175.81 3inj s ALA 194 N -2.01 3.53 0.62 1.32 0.00 -1.19 -4.32 121.76 119.71 3inj s ALA 194 Ca 0.39 1.14 0.34 0.00 0.00 0.00 0.00 51.96 53.83 3inj s ALA 194 Cb -0.10 -3.48 1.97 0.00 0.00 0.00 0.00 23.12 21.51 3inj s ALA 194 CO 0.31 -0.55 2.25 1.05 0.00 0.00 0.00 175.76 178.82 3inj h GLU 195 N 5.06 0.00 0.00 0.00 4.11 -1.93 -0.81 114.58 121.01 3inj h GLU 195 Ca -0.45 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.87 3inj h GLU 195 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3inj h GLU 195 CO 0.76 0.00 -0.52 1.96 0.07 0.00 0.00 179.01 181.27 3inj h GLN 196 N 0.00 0.00 -1.35 1.06 7.50 -1.94 -3.40 115.11 116.99 3inj h GLN 196 Ca 0.01 0.00 -0.44 0.00 0.50 0.00 0.00 58.65 58.73 3inj h GLN 196 Cb 0.11 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 27.33 3inj h GLN 196 CO -0.00 0.52 -0.92 0.25 -1.50 0.00 0.00 178.83 177.19 3inj n THR 197 N -3.55 -0.38 0.54 -0.54 -2.24 -0.34 -4.68 114.28 103.08 3inj n THR 197 Ca -0.00 -3.28 0.12 0.00 -2.27 0.00 0.00 64.05 58.61 3inj n THR 197 Cb 0.61 -0.55 0.14 0.00 -2.10 0.00 0.00 70.33 68.43 3inj n THR 197 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3inj h PRO 198 N 3.76 0.00 0.24 -0.78 0.14 -1.70 -3.41 132.00 130.25 3inj h PRO 198 Ca 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.14 3inj h PRO 198 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.09 3inj h PRO 198 CO 0.41 0.00 -0.11 -0.07 0.14 0.00 0.00 178.00 178.36 3inj h LEU 199 N 0.00 -0.27 -1.53 1.56 3.38 -1.90 -2.89 115.31 113.67 3inj h LEU 199 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3inj h LEU 199 Cb 0.76 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3inj h LEU 199 CO 0.00 0.10 0.14 0.71 0.09 0.00 0.00 178.44 179.48 3inj h THR 200 N -0.69 1.12 -0.23 0.22 1.35 -1.88 -1.48 112.91 111.33 3inj h THR 200 Ca -0.03 -0.37 -0.17 0.00 -0.55 0.00 0.00 66.41 65.29 3inj h THR 200 Cb 0.48 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3inj h THR 200 CO 0.05 0.15 -0.53 0.00 -0.25 0.00 0.00 175.52 174.94 3inj h ALA 201 N 1.70 0.64 -0.36 6.62 0.00 -1.84 -1.72 119.26 124.31 3inj h ALA 201 Ca 0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 3inj h ALA 201 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3inj h ALA 201 CO -0.01 0.68 -0.19 -0.07 0.00 0.00 0.00 179.25 179.66 3inj h LEU 202 N 0.52 0.66 -0.71 0.00 3.38 -1.23 -2.21 115.31 115.73 3inj h LEU 202 Ca 0.02 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3inj h LEU 202 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3inj h LEU 202 CO 0.11 0.85 -0.08 0.22 0.09 0.00 0.00 178.44 179.63 3inj h TYR 203 N 0.59 1.01 -0.06 1.13 3.20 -1.09 -2.24 116.97 119.51 3inj h TYR 203 Ca 0.09 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3inj h TYR 203 Cb 0.65 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3inj h TYR 203 CO 0.03 0.94 -0.06 0.28 -1.64 0.00 0.00 178.16 177.71 3inj h VAL 204 N 0.83 1.08 -0.82 1.81 2.07 -1.07 -2.18 116.25 117.97 3inj h VAL 204 Ca 0.14 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3inj h VAL 204 Cb 0.60 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3inj h VAL 204 CO 0.04 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.26 3inj h ALA 205 N 1.86 1.04 -0.89 1.67 0.00 -0.78 0.55 119.26 122.71 3inj h ALA 205 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3inj h ALA 205 Cb 0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3inj h ALA 205 CO 0.01 0.47 0.52 -0.91 0.00 0.00 0.00 179.25 179.34 3inj h ASN 206 N 1.11 0.75 0.34 0.00 4.21 -1.26 -1.87 115.58 118.87 3inj h ASN 206 Ca 0.30 0.05 -0.12 0.00 1.21 0.00 0.00 56.30 57.74 3inj h ASN 206 Cb -0.10 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 3inj h ASN 206 CO -0.06 0.41 -0.50 -0.07 -1.29 0.00 0.00 177.43 175.92 3inj h LEU 207 N 0.85 0.21 -0.34 1.61 3.38 -0.94 -0.22 115.31 119.86 3inj h LEU 207 Ca 0.43 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3inj h LEU 207 Cb 0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3inj h LEU 207 CO -0.26 0.68 0.09 0.40 0.09 0.00 0.00 178.44 179.44 3inj h ILE 208 N 0.15 1.22 0.06 1.22 2.04 -0.51 0.15 117.51 121.84 3inj h ILE 208 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3inj h ILE 208 Cb 0.94 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3inj h ILE 208 CO 0.08 0.24 -0.06 0.50 0.00 0.00 0.00 178.15 178.91 3inj h LYS 209 N 0.40 -0.13 -0.50 2.37 3.64 -1.14 -2.52 116.57 118.69 3inj h LYS 209 Ca 0.11 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3inj h LYS 209 Cb 0.28 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3inj h LYS 209 CO -0.00 -0.09 0.34 1.49 -2.27 0.00 0.00 179.45 178.92 3inj h GLU 210 N -0.14 0.33 0.00 1.90 4.81 -0.83 -2.18 114.58 118.47 3inj h GLU 210 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3inj h GLU 210 Cb 0.13 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3inj h GLU 210 CO -0.02 0.22 -0.35 0.00 -0.73 0.00 0.00 179.01 178.13 3inj h ALA 211 N 1.74 1.05 0.00 2.92 0.00 -0.27 -3.47 119.26 121.23 3inj h ALA 211 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3inj h ALA 211 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3inj h ALA 211 CO -0.05 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.04 3inj n GLY 212 N 0.10 1.00 3.71 0.00 0.00 -0.82 -4.87 105.19 104.31 3inj n GLY 212 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3inj n GLY 212 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3inj n PHE 213 N -0.34 2.70 -1.55 1.61 3.01 -1.13 -4.92 117.46 116.82 3inj n PHE 213 Ca 0.00 0.04 -0.37 0.00 1.01 0.00 0.00 57.45 58.13 3inj n PHE 213 Cb 0.00 -2.67 0.06 0.00 -0.01 0.00 0.00 39.48 36.86 3inj n PHE 213 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3inj n PRO 214 N 4.11 0.77 -1.69 -1.08 -0.02 -1.26 -4.78 135.00 131.04 3inj n PRO 214 Ca 0.16 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 3inj n PRO 214 Cb 0.34 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3inj n PRO 214 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3inj n PRO 215 N -1.25 2.34 0.00 0.52 -0.04 -1.26 -2.73 135.00 132.57 3inj n PRO 215 Ca 0.14 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3inj n PRO 215 Cb 0.48 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3inj n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3inj n GLY 216 N 3.13 0.91 0.20 0.55 0.00 -1.26 -4.67 105.19 104.06 3inj n GLY 216 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3inj n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3inj h VAL 217 N 0.00 1.32 -3.21 1.61 2.07 -1.81 -3.29 116.25 112.92 3inj h VAL 217 Ca 0.00 -1.65 -0.64 0.00 0.82 0.00 0.00 66.70 65.22 3inj h VAL 217 Cb 0.00 1.82 -0.34 0.00 -1.52 0.00 0.00 31.29 31.25 3inj h VAL 217 CO 0.00 0.52 -0.86 -0.69 0.02 0.00 0.00 177.57 176.56 3inj s VAL 218 N -4.06 1.87 -0.06 2.57 1.01 -1.26 -0.10 120.40 120.37 3inj s VAL 218 Ca -0.12 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3inj s VAL 218 Cb 0.08 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3inj s VAL 218 CO 0.84 0.51 -0.14 0.20 0.00 0.00 0.00 175.10 176.52 3inj s ASN 219 N 0.90 1.88 -0.13 3.32 0.01 -0.16 -4.64 114.94 116.12 3inj s ASN 219 Ca -0.06 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 3inj s ASN 219 Cb -0.15 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.80 3inj s ASN 219 CO -0.02 0.08 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.83 3inj s ILE 220 N 0.40 1.80 -0.34 0.60 1.01 0.12 0.25 121.20 125.04 3inj s ILE 220 Ca -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.77 3inj s ILE 220 Cb -0.14 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.82 3inj s ILE 220 CO 0.03 0.50 0.06 -0.69 0.00 0.00 0.00 174.94 174.84 3inj s VAL 221 N 0.96 2.21 0.58 2.92 1.01 0.56 -0.68 120.40 127.96 3inj s VAL 221 Ca -0.05 -2.33 -0.17 0.00 0.00 0.00 0.00 61.98 59.42 3inj s VAL 221 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3inj s VAL 221 CO -0.03 -0.61 1.09 -2.16 0.00 0.00 0.00 175.10 173.39 3inj s PRO 222 N 0.90 3.26 0.00 2.72 0.04 -1.26 -3.85 135.00 136.80 3inj s PRO 222 Ca 0.11 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3inj s PRO 222 Cb -0.19 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3inj s PRO 222 CO -0.09 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.47 3inj n GLY 223 N -0.35 -1.19 3.97 0.56 0.00 -1.26 -0.49 105.19 106.42 3inj n GLY 223 Ca 0.10 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 3inj n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3inj s PHE 224 N -3.00 3.16 -0.03 1.61 2.99 -1.26 -4.12 117.98 117.32 3inj s PHE 224 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 56.93 56.71 3inj s PHE 224 Cb 0.00 -2.21 -0.19 0.00 0.00 0.00 0.00 43.02 40.62 3inj s PHE 224 CO 0.00 -0.25 1.14 0.78 -0.00 0.00 0.00 175.22 176.89 3inj h GLY 225 N 0.58 -0.13 1.64 4.36 0.00 -1.95 0.08 103.07 107.66 3inj h GLY 225 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3inj h GLY 225 CO 0.55 -0.05 0.00 -1.05 0.00 0.00 0.00 176.54 176.00 3inj n PRO 226 N -4.90 0.09 0.00 4.80 -0.02 -1.26 -0.64 135.00 133.06 3inj n PRO 226 Ca -0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3inj n PRO 226 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3inj n PRO 226 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3inj n THR 227 N -1.32 0.00 0.01 3.45 -2.24 -1.18 -4.55 114.28 108.44 3inj n THR 227 Ca 0.03 0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3inj n THR 227 Cb 0.06 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.28 3inj n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3inj h ALA 228 N -0.70 -0.01 -0.26 6.98 0.00 -1.12 -1.92 119.26 122.24 3inj h ALA 228 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3inj h ALA 228 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3inj h ALA 228 CO 0.00 -0.34 0.04 0.78 0.00 0.00 0.00 179.25 179.74 3inj h GLY 229 N -0.34 0.29 2.00 0.00 0.00 -1.25 -1.96 103.07 101.81 3inj h GLY 229 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3inj h GLY 229 CO 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 176.54 176.22 3inj h ALA 230 N 1.19 1.41 -0.11 3.60 0.00 -0.92 -2.51 119.26 121.92 3inj h ALA 230 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3inj h ALA 230 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3inj h ALA 230 CO -0.16 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.53 3inj h ALA 231 N 1.70 0.14 -0.34 0.00 0.00 -0.69 -1.85 119.26 118.22 3inj h ALA 231 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3inj h ALA 231 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3inj h ALA 231 CO 0.04 -0.32 0.21 0.82 0.00 0.00 0.00 179.25 180.00 3inj h ILE 232 N 0.08 1.11 0.00 0.00 2.04 -1.08 -1.61 117.51 118.06 3inj h ILE 232 Ca 0.04 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3inj h ILE 232 Cb 0.08 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3inj h ILE 232 CO -0.01 0.11 -0.23 0.00 0.00 0.00 0.00 178.15 178.02 3inj h ALA 233 N 1.10 1.38 -0.21 1.87 0.00 -1.38 -2.96 119.26 119.05 3inj h ALA 233 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3inj h ALA 233 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3inj h ALA 233 CO -0.02 0.28 0.00 0.43 0.00 0.00 0.00 179.25 179.94 3inj n SER 234 N -3.91 2.89 -4.73 0.00 7.64 -0.70 -3.69 113.62 111.12 3inj n SER 234 Ca -0.02 -1.85 -0.41 0.00 1.01 0.00 0.00 58.87 57.59 3inj n SER 234 Cb 0.31 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 3inj n SER 234 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3inj s HIS 235 N -1.37 3.29 -1.16 1.43 5.04 -0.62 -4.81 115.29 117.09 3inj s HIS 235 Ca 0.28 1.22 0.20 0.00 -1.54 0.00 0.00 55.06 55.22 3inj s HIS 235 Cb 0.17 -3.58 0.92 0.00 0.04 0.00 0.00 32.58 30.13 3inj s HIS 235 CO 0.24 -1.81 1.64 0.39 -2.34 0.00 0.00 174.74 172.87 3inj n GLU 236 N 2.87 0.11 -0.07 2.88 -0.58 -1.26 -3.00 120.64 121.58 3inj n GLU 236 Ca 0.07 0.13 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 3inj n GLU 236 Cb 0.43 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.86 3inj n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3inj n ASP 237 N -1.42 1.85 -4.69 1.62 2.03 -1.26 -4.88 116.55 109.79 3inj n ASP 237 Ca 0.07 -2.42 -0.38 0.00 0.52 0.00 0.00 54.79 52.58 3inj n ASP 237 Cb 0.21 -0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 3inj n ASP 237 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3inj s VAL 238 N -1.69 5.22 -0.16 5.18 1.01 -1.16 -4.77 120.40 124.03 3inj s VAL 238 Ca 0.14 0.73 0.17 0.00 0.00 0.00 0.00 61.98 63.03 3inj s VAL 238 Cb 0.13 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3inj s VAL 238 CO 0.01 0.30 1.03 0.44 0.00 0.00 0.00 175.10 176.88 3inj h ASP 239 N 7.07 0.00 -4.46 3.32 3.32 -1.33 -3.43 116.42 120.92 3inj h ASP 239 Ca -0.38 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 3inj h ASP 239 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 3inj h ASP 239 CO 0.74 0.45 -0.02 -0.75 -1.72 0.00 0.00 179.24 177.93 3inj s LYS 240 N -3.01 0.78 -0.02 3.56 2.36 -1.12 -2.04 119.74 120.24 3inj s LYS 240 Ca -0.01 0.44 0.03 0.00 -2.55 0.00 0.00 55.97 53.89 3inj s LYS 240 Cb 0.08 0.37 -0.00 0.00 -1.05 0.00 0.00 37.83 37.23 3inj s LYS 240 CO 0.79 -0.17 -0.11 0.54 1.55 0.00 0.00 175.35 177.94 3inj s VAL 241 N -0.45 0.94 -0.17 4.02 0.11 0.26 -0.53 120.40 124.57 3inj s VAL 241 Ca -0.06 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 3inj s VAL 241 Cb -0.03 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3inj s VAL 241 CO 0.04 0.27 -0.16 0.00 -3.33 0.00 0.00 175.10 171.93 3inj s ALA 242 N -0.07 2.10 -0.10 1.54 0.00 -0.03 -1.93 121.76 123.27 3inj s ALA 242 Ca 0.01 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.90 3inj s ALA 242 Cb -0.07 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 3inj s ALA 242 CO 0.00 -0.45 -0.22 0.12 0.00 0.00 0.00 175.76 175.21 3inj s PHE 243 N 1.38 2.59 -0.18 0.00 5.36 -0.75 -1.40 117.98 124.97 3inj s PHE 243 Ca 0.04 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.09 3inj s PHE 243 Cb -0.14 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3inj s PHE 243 CO -0.11 -0.35 -0.16 0.99 -1.46 0.00 0.00 175.22 174.13 3inj s THR 244 N 0.25 2.41 -1.84 0.12 2.01 -0.85 -1.09 115.64 116.65 3inj s THR 244 Ca -0.15 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.02 3inj s THR 244 Cb -0.17 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3inj s THR 244 CO 0.08 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3inj n GLY 245 N 4.53 -0.58 3.76 4.40 0.00 -0.71 -3.84 105.19 112.76 3inj n GLY 245 Ca -0.20 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3inj n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 246 N -4.00 5.80 0.55 1.61 1.04 -1.26 -3.55 113.70 113.90 3inj s SER 246 Ca 0.00 2.42 0.24 0.00 0.48 0.00 0.00 55.95 59.09 3inj s SER 246 Cb 0.00 -2.61 1.51 0.00 0.10 0.00 0.00 66.02 65.02 3inj s SER 246 CO 0.00 -1.18 2.14 0.74 0.98 0.00 0.00 173.24 175.92 3inj h THR 247 N 1.61 0.73 -0.28 2.02 2.02 -1.90 -0.92 112.91 116.18 3inj h THR 247 Ca -0.50 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3inj h THR 247 Cb 1.27 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3inj h THR 247 CO 0.59 0.00 0.01 -0.08 0.37 0.00 0.00 175.52 176.41 3inj h GLU 248 N 0.00 0.49 -0.07 6.66 4.81 -1.96 -3.15 114.58 121.36 3inj h GLU 248 Ca 0.06 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 3inj h GLU 248 Cb 0.28 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.62 3inj h GLU 248 CO -0.00 0.63 -0.79 0.82 -0.73 0.00 0.00 179.01 178.94 3inj h ILE 249 N 0.28 1.32 -1.55 2.32 1.08 -1.79 -3.19 117.51 115.97 3inj h ILE 249 Ca 0.08 -2.05 0.46 0.00 -0.39 0.00 0.00 64.86 62.96 3inj h ILE 249 Cb 0.40 2.25 -0.08 0.00 -3.07 0.00 0.00 36.82 36.32 3inj h ILE 249 CO 0.01 0.63 1.09 1.23 -0.69 0.00 0.00 178.15 180.42 3inj h GLY 250 N 0.32 0.32 2.00 5.37 0.00 -1.17 0.66 103.07 110.57 3inj h GLY 250 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 3inj h GLY 250 CO 0.16 -0.09 -0.79 3.21 0.00 0.00 0.00 176.54 179.04 3inj h ARG 251 N 0.04 0.00 -0.40 4.80 3.08 -1.53 -2.41 114.38 117.96 3inj h ARG 251 Ca 0.78 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.80 3inj h ARG 251 Cb 2.95 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.98 3inj h ARG 251 CO -0.11 0.79 0.12 0.28 -1.07 0.00 0.00 179.97 179.97 3inj h VAL 252 N 0.00 1.22 -0.23 2.04 2.07 0.20 -2.63 116.25 118.92 3inj h VAL 252 Ca -0.01 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3inj h VAL 252 Cb 1.47 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3inj h VAL 252 CO 0.10 0.26 0.03 0.40 0.02 0.00 0.00 177.57 178.38 3inj h ILE 253 N 0.50 0.88 0.00 4.57 1.08 -1.25 -0.80 117.51 122.49 3inj h ILE 253 Ca 0.13 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 3inj h ILE 253 Cb 0.28 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3inj h ILE 253 CO -0.00 0.02 -0.26 -0.61 -0.69 0.00 0.00 178.15 176.61 3inj h GLN 254 N 0.12 0.00 0.21 2.37 4.15 -1.41 -1.45 115.11 119.09 3inj h GLN 254 Ca 0.10 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.21 3inj h GLN 254 Cb 0.11 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.83 3inj h GLN 254 CO -0.15 0.26 -1.39 0.28 -1.93 0.00 0.00 178.83 175.89 3inj h VAL 255 N 0.00 1.33 -0.01 2.39 2.07 -1.08 -2.73 116.25 118.22 3inj h VAL 255 Ca -0.00 -2.74 0.01 0.00 0.82 0.00 0.00 66.70 64.79 3inj h VAL 255 Cb 0.67 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 3inj h VAL 255 CO 0.03 0.82 -0.05 0.00 0.02 0.00 0.00 177.57 178.39 3inj h ALA 256 N 0.27 -0.05 -0.41 1.67 0.00 -0.95 -0.47 119.26 119.32 3inj h ALA 256 Ca -0.22 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3inj h ALA 256 Cb 2.09 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.88 3inj h ALA 256 CO 0.26 -0.54 -0.33 0.00 0.00 0.00 0.00 179.25 178.63 3inj h ALA 257 N 0.91 -0.19 -0.04 0.00 0.00 -1.33 0.63 119.26 119.24 3inj h ALA 257 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3inj h ALA 257 Cb 0.12 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3inj h ALA 257 CO -0.06 -0.73 -0.02 0.78 0.00 0.00 0.00 179.25 179.22 3inj h GLY 258 N -0.25 0.06 0.73 0.00 0.00 -1.24 -2.02 103.07 100.34 3inj h GLY 258 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3inj h GLY 258 CO -0.55 0.02 -0.58 1.44 0.00 0.00 0.00 176.54 176.87 3inj n SER 259 N -4.48 0.65 0.00 0.19 7.64 -0.21 -4.65 113.62 112.77 3inj n SER 259 Ca -0.02 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.40 3inj n SER 259 Cb 0.13 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3inj n SER 259 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3inj n SER 260 N -1.43 0.00 -0.28 6.43 3.41 0.08 -4.98 113.62 116.86 3inj n SER 260 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.76 3inj n SER 260 Cb 0.34 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.45 3inj n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3inj n ASN 261 N 0.00 2.72 -3.23 4.04 6.94 -1.23 -4.97 115.26 119.53 3inj n ASN 261 Ca 0.00 -2.98 -0.23 0.00 -0.02 0.00 0.00 54.58 51.35 3inj n ASN 261 Cb 0.00 -0.43 0.03 0.00 -2.36 0.00 0.00 39.78 37.02 3inj n ASN 261 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3inj n LEU 262 N -1.11 -2.47 -4.73 -4.53 4.77 -0.79 -4.93 117.00 103.21 3inj n LEU 262 Ca 0.16 -0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 55.40 3inj n LEU 262 Cb 0.67 -2.75 0.06 0.00 -2.33 0.00 0.00 43.42 39.08 3inj n LEU 262 CO 0.05 0.27 0.90 -1.59 -1.33 0.00 0.00 177.39 175.70 3inj s LYS 263 N -5.91 2.61 0.31 3.23 -2.85 -1.26 -4.96 119.74 110.92 3inj s LYS 263 Ca 0.38 2.06 -0.29 0.00 -1.00 0.00 0.00 55.97 57.12 3inj s LYS 263 Cb -0.18 -1.87 -0.10 0.00 -2.06 0.00 0.00 37.83 33.62 3inj s LYS 263 CO 0.47 -1.55 1.32 1.03 0.10 0.00 0.00 175.35 176.72 3inj s ARG 264 N -3.35 4.35 -0.05 1.78 3.00 -0.87 -4.85 118.95 118.96 3inj s ARG 264 Ca 0.82 2.21 0.02 0.00 0.00 0.00 0.00 55.73 58.78 3inj s ARG 264 Cb -0.37 -3.08 0.01 0.00 0.00 0.00 0.00 34.95 31.51 3inj s ARG 264 CO 0.39 -0.21 -0.10 0.08 0.00 0.00 0.00 175.30 175.46 3inj s VAL 265 N -0.94 0.96 0.07 3.52 1.01 -1.26 -0.57 120.40 123.19 3inj s VAL 265 Ca 0.50 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3inj s VAL 265 Cb -0.40 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3inj s VAL 265 CO 0.51 0.31 -0.20 0.42 0.00 0.00 0.00 175.10 176.13 3inj s THR 266 N 0.56 1.64 -0.04 3.92 -4.23 -0.81 -4.92 115.64 111.75 3inj s THR 266 Ca -0.11 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3inj s THR 266 Cb -0.14 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.27 3inj s THR 266 CO 0.02 0.08 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.38 3inj s LEU 267 N -1.48 1.33 -0.34 4.79 1.43 -0.52 -1.81 118.68 122.07 3inj s LEU 267 Ca 0.06 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3inj s LEU 267 Cb -0.09 -0.43 0.09 0.00 0.03 0.00 0.00 46.19 45.79 3inj s LEU 267 CO 0.03 -0.05 0.06 -1.61 0.23 0.00 0.00 176.35 175.01 3inj s GLU 268 N 0.90 1.83 0.00 1.70 0.41 -0.25 -0.89 118.70 122.40 3inj s GLU 268 Ca -0.11 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 3inj s GLU 268 Cb -0.14 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 3inj s GLU 268 CO 0.00 -0.89 0.00 1.28 -0.49 0.00 0.00 175.26 175.16 3inj n LEU 269 N 4.41 0.00 -4.95 1.80 4.77 0.18 -1.73 117.00 121.48 3inj n LEU 269 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 3inj n LEU 269 Cb 0.42 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.70 3inj n LEU 269 CO 0.25 0.00 0.83 -0.83 -1.33 0.00 0.00 177.39 176.31 3inj s GLY 270 N -0.38 1.81 0.26 -0.72 0.00 -1.23 -4.85 107.32 102.21 3inj s GLY 270 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 3inj s GLY 270 CO 0.00 -0.66 0.43 -0.32 0.00 0.00 0.00 173.10 172.55 3inj s GLY 271 N -4.93 0.84 -0.40 0.20 0.00 -1.09 -4.36 107.32 97.58 3inj s GLY 271 Ca 0.75 -1.11 0.09 0.00 0.00 0.00 0.00 44.72 44.45 3inj s GLY 271 CO 0.52 -0.80 0.72 1.17 0.00 0.00 0.00 173.10 174.70 3inj n LYS 272 N -0.40 0.87 -2.24 2.90 3.00 -1.26 -4.44 118.16 116.59 3inj n LYS 272 Ca -0.01 -3.02 -0.41 0.00 -0.00 0.00 0.00 58.31 54.88 3inj n LYS 272 Cb 0.62 -1.44 -0.03 0.00 0.00 0.00 0.00 35.03 34.19 3inj n LYS 272 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3inj s SER 273 N -1.80 6.94 -0.07 3.14 0.01 -1.22 -4.66 113.70 116.03 3inj s SER 273 Ca 0.36 2.46 -0.18 0.00 1.31 0.00 0.00 55.95 59.89 3inj s SER 273 Cb 0.27 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 3inj s SER 273 CO -0.10 -0.45 0.50 -2.16 0.41 0.00 0.00 173.24 171.44 3inj s PRO 274 N -0.90 4.28 -0.35 12.44 0.05 -1.26 -1.93 135.00 147.34 3inj s PRO 274 Ca 0.52 0.52 -0.07 0.00 0.05 0.00 0.00 61.00 62.02 3inj s PRO 274 Cb -0.36 -3.38 0.04 0.00 0.05 0.00 0.00 34.50 30.84 3inj s PRO 274 CO 0.43 0.28 0.12 1.21 0.05 0.00 0.00 177.00 179.10 3inj s ASN 275 N 0.19 5.36 -0.31 6.66 3.04 0.08 -1.55 114.94 128.41 3inj s ASN 275 Ca 0.27 -1.18 -0.11 0.00 0.04 0.00 0.00 52.86 51.89 3inj s ASN 275 Cb -0.16 -1.88 -0.02 0.00 -1.54 0.00 0.00 41.25 37.65 3inj s ASN 275 CO 0.12 -0.35 0.18 -0.63 -3.04 0.00 0.00 177.10 173.38 3inj s ILE 276 N 1.41 4.85 -0.42 -5.21 1.01 0.26 -0.44 121.20 122.65 3inj s ILE 276 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3inj s ILE 276 Cb -0.20 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 38.88 3inj s ILE 276 CO 0.03 0.08 0.28 -0.63 0.00 0.00 0.00 174.94 174.69 3inj s ILE 277 N 1.66 4.53 0.70 2.92 -1.09 0.70 -0.34 121.20 130.27 3inj s ILE 277 Ca 0.05 -1.20 -0.11 0.00 -2.23 0.00 0.00 60.65 57.16 3inj s ILE 277 Cb -0.17 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3inj s ILE 277 CO 0.08 -0.46 1.06 -0.04 -1.23 0.00 0.00 174.94 174.35 3inj s MET 278 N 1.50 2.90 0.25 2.79 -1.94 -0.42 -1.83 119.30 122.55 3inj s MET 278 Ca 0.03 0.95 0.23 0.00 -1.71 0.00 0.00 55.69 55.19 3inj s MET 278 Cb -0.22 -1.99 0.97 0.00 2.01 0.00 0.00 34.83 35.60 3inj s MET 278 CO 0.04 -1.12 1.69 -1.13 -0.01 0.00 0.00 175.02 174.49 3inj n SER 279 N -3.15 0.63 -1.06 3.03 3.41 -1.26 -1.94 113.62 113.28 3inj n SER 279 Ca 0.08 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 3inj n SER 279 Cb 0.54 -0.79 0.25 0.00 -0.26 0.00 0.00 64.21 63.94 3inj n SER 279 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3inj n ASP 280 N -2.21 3.17 -4.66 4.04 5.75 -1.26 -4.94 116.55 116.44 3inj n ASP 280 Ca 0.02 -1.95 -0.31 0.00 -0.01 0.00 0.00 54.79 52.53 3inj n ASP 280 Cb 0.21 -0.24 0.16 0.00 -1.03 0.00 0.00 41.12 40.23 3inj n ASP 280 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3inj n ALA 281 N 1.30 -0.85 -2.40 2.12 0.00 -0.82 -3.83 120.51 116.03 3inj n ALA 281 Ca 0.19 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 3inj n ALA 281 Cb 0.56 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 3inj n ALA 281 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3inj s ASP 282 N -2.57 6.68 0.08 0.00 2.15 -1.26 -4.94 116.67 116.80 3inj s ASP 282 Ca 0.67 1.30 -0.26 0.00 0.43 0.00 0.00 52.55 54.69 3inj s ASP 282 Cb -0.23 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.69 3inj s ASP 282 CO 0.58 -1.06 1.70 -0.03 -0.17 0.00 0.00 175.17 176.19 3inj h MET 283 N 9.29 -0.24 -0.06 4.34 1.85 -1.96 0.13 114.93 128.28 3inj h MET 283 Ca -0.27 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 58.86 3inj h MET 283 Cb 1.10 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.17 3inj h MET 283 CO 1.02 -0.15 -0.04 -0.44 -0.40 0.00 0.00 176.91 176.90 3inj h ASP 284 N -0.26 -0.14 0.20 1.39 3.32 -2.00 -1.42 116.42 117.52 3inj h ASP 284 Ca -0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3inj h ASP 284 Cb 0.20 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3inj h ASP 284 CO 0.04 -0.06 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.15 3inj h TRP 285 N -0.05 -0.25 -0.96 4.55 2.91 -1.96 -1.87 115.95 118.33 3inj h TRP 285 Ca 0.04 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.13 3inj h TRP 285 Cb 0.11 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.78 3inj h TRP 285 CO -0.15 -0.15 0.62 0.00 -1.03 0.00 0.00 178.44 177.73 3inj h ALA 286 N 0.51 1.49 -0.06 2.65 0.00 -0.81 0.90 119.26 123.94 3inj h ALA 286 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3inj h ALA 286 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3inj h ALA 286 CO 0.05 0.34 -0.03 0.28 0.00 0.00 0.00 179.25 179.89 3inj h VAL 287 N 1.06 1.33 -0.35 0.00 2.07 -1.08 -0.17 116.25 119.11 3inj h VAL 287 Ca 0.43 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 3inj h VAL 287 Cb 0.27 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3inj h VAL 287 CO -0.18 0.29 0.01 -0.08 0.02 0.00 0.00 177.57 177.62 3inj h GLU 288 N -0.27 0.54 0.00 1.57 4.57 -0.95 -2.02 114.58 118.02 3inj h GLU 288 Ca 0.01 -0.11 -0.19 0.00 -1.18 0.00 0.00 59.36 57.89 3inj h GLU 288 Cb 0.47 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3inj h GLU 288 CO 0.01 0.56 -0.86 1.96 -1.18 0.00 0.00 179.01 179.50 3inj h GLN 289 N 0.52 0.11 -0.23 1.92 1.08 -0.80 -2.05 115.11 115.67 3inj h GLN 289 Ca 0.11 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3inj h GLN 289 Cb 0.33 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3inj h GLN 289 CO 0.01 0.90 -0.24 0.00 -0.95 0.00 0.00 178.83 178.54 3inj h ALA 290 N 1.06 1.16 0.55 3.87 0.00 -0.79 0.13 119.26 125.23 3inj h ALA 290 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3inj h ALA 290 Cb 1.49 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.17 3inj h ALA 290 CO 0.12 0.53 -0.26 1.25 0.00 0.00 0.00 179.25 180.89 3inj h HIS 291 N 0.38 -0.68 -0.43 0.00 -0.00 -1.23 -2.89 115.15 110.30 3inj h HIS 291 Ca 0.06 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 3inj h HIS 291 Cb 0.64 0.23 -0.09 0.00 -0.00 0.00 0.00 27.41 28.18 3inj h HIS 291 CO 0.02 -0.35 -0.22 0.35 -0.00 0.00 0.00 177.93 177.72 3inj h PHE 292 N -1.03 -0.56 -1.06 5.26 3.04 -1.35 0.13 116.94 121.37 3inj h PHE 292 Ca -0.08 0.05 0.28 0.00 3.98 0.00 0.00 57.97 62.20 3inj h PHE 292 Cb 0.63 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 39.37 3inj h PHE 292 CO 0.01 -0.30 0.70 0.00 -2.02 0.00 0.00 178.31 176.69 3inj h ALA 293 N 1.13 2.41 0.00 2.41 0.00 -0.71 -1.54 119.26 122.96 3inj h ALA 293 Ca 0.21 0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.75 3inj h ALA 293 Cb 0.46 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3inj h ALA 293 CO -0.52 -0.80 -2.42 -0.11 0.00 0.00 0.00 179.25 175.40 3inj n LEU 294 N -4.53 2.25 0.04 0.00 7.94 -0.88 -0.78 117.00 121.03 3inj n LEU 294 Ca 0.25 0.15 0.14 0.00 -1.11 0.00 0.00 56.01 55.44 3inj n LEU 294 Cb 0.95 -0.79 0.54 0.00 0.53 0.00 0.00 43.42 44.64 3inj n LEU 294 CO 0.29 0.68 0.93 0.49 -1.11 0.00 0.00 177.39 178.66 3inj n PHE 295 N -3.81 0.33 -1.67 1.96 3.01 0.41 -3.89 117.46 113.81 3inj n PHE 295 Ca -0.48 0.10 -0.43 0.00 1.01 0.00 0.00 57.45 57.64 3inj n PHE 295 Cb 0.90 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 39.69 3inj n PHE 295 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3inj n PHE 296 N -1.77 2.07 -3.68 1.38 -0.00 -0.59 -2.59 117.46 112.27 3inj n PHE 296 Ca 0.06 0.56 -0.24 0.00 -0.00 0.00 0.00 57.45 57.83 3inj n PHE 296 Cb 0.37 -2.39 0.06 0.00 -0.00 0.00 0.00 39.48 37.51 3inj n PHE 296 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3inj n ASN 297 N 1.17 -4.46 -2.72 -2.13 5.15 -1.26 -1.24 115.26 109.76 3inj n ASN 297 Ca 0.07 -0.66 -0.19 0.00 -0.60 0.00 0.00 54.58 53.20 3inj n ASN 297 Cb 0.34 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 3inj n ASN 297 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3inj n GLN 298 N -4.67 -2.95 -0.94 1.20 3.00 -1.07 -0.13 117.38 111.82 3inj n GLN 298 Ca -0.07 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 3inj n GLN 298 Cb 0.58 -5.49 0.00 0.00 0.00 0.00 0.00 30.24 25.34 3inj n GLN 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3inj n GLY 299 N -1.11 0.31 2.53 1.08 0.00 -0.38 -3.59 105.19 104.04 3inj n GLY 299 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3inj n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3inj n GLN 300 N -1.27 4.60 -4.26 1.61 6.02 0.82 -3.31 117.38 121.59 3inj n GLN 300 Ca 0.00 -3.58 -0.22 0.00 -0.01 0.00 0.00 57.00 53.19 3inj n GLN 300 Cb 0.19 -2.64 -0.17 0.00 1.02 0.00 0.00 30.24 28.64 3inj n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3inj n ALA 304 N 0.23 -0.38 -2.20 0.00 0.00 -0.78 -4.78 120.51 112.60 3inj n ALA 304 Ca 0.25 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.72 3inj n ALA 304 Cb 1.04 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3inj n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3inj n GLY 305 N 1.74 2.51 0.76 0.00 0.00 0.04 -3.45 105.19 106.78 3inj n GLY 305 Ca 0.13 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3inj n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3inj n SER 306 N 9.39 2.35 -3.77 1.61 3.41 -0.81 -4.37 113.62 121.43 3inj n SER 306 Ca 0.49 -1.78 -0.30 0.00 -0.26 0.00 0.00 58.87 57.01 3inj n SER 306 Cb 0.45 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 3inj n SER 306 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3inj s ARG 307 N -1.88 0.91 -0.61 4.33 0.52 -0.91 -3.96 118.95 117.35 3inj s ARG 307 Ca 0.34 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.02 3inj s ARG 307 Cb 0.20 -2.22 0.09 0.00 0.52 0.00 0.00 34.95 33.54 3inj s ARG 307 CO 0.31 -1.00 0.80 0.99 0.02 0.00 0.00 175.30 176.41 3inj s THR 308 N 1.33 4.63 -0.17 0.02 2.01 0.10 -0.74 115.64 122.82 3inj s THR 308 Ca 0.11 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 3inj s THR 308 Cb -0.19 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.76 3inj s THR 308 CO -0.19 -1.21 0.73 -0.36 -0.69 0.00 0.00 174.62 172.89 3inj s PHE 309 N 3.21 3.42 -0.05 4.92 0.40 0.41 -0.51 117.98 129.78 3inj s PHE 309 Ca 0.16 1.11 0.03 0.00 -0.60 0.00 0.00 56.93 57.64 3inj s PHE 309 Cb -0.21 -2.89 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3inj s PHE 309 CO 0.09 -0.17 -0.15 0.08 0.70 0.00 0.00 175.22 175.77 3inj s VAL 310 N 1.87 1.27 0.32 -0.44 1.01 0.22 -0.21 120.40 124.44 3inj s VAL 310 Ca 0.34 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3inj s VAL 310 Cb -0.16 -1.12 -0.11 0.00 0.00 0.00 0.00 36.38 34.99 3inj s VAL 310 CO 0.12 0.38 1.46 -1.58 0.00 0.00 0.00 175.10 175.48 3inj s GLN 311 N 0.34 4.21 0.65 2.72 0.74 -0.76 -1.92 119.66 125.63 3inj s GLN 311 Ca -0.09 2.43 0.34 0.00 0.05 0.00 0.00 55.36 58.08 3inj s GLN 311 Cb -0.13 -3.04 1.84 0.00 1.10 0.00 0.00 33.01 32.78 3inj s GLN 311 CO 0.03 -0.45 2.08 1.05 -0.55 0.00 0.00 175.29 177.45 3inj h GLU 312 N 3.98 0.00 0.00 1.67 4.11 -0.90 -1.34 114.58 122.10 3inj h GLU 312 Ca -0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 3inj h GLU 312 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3inj h GLU 312 CO 0.71 0.00 -0.31 -0.44 0.07 0.00 0.00 179.01 179.04 3inj h ASP 313 N 0.00 0.00 0.00 3.06 3.32 -1.89 -3.25 116.42 117.66 3inj h ASP 313 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3inj h ASP 313 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3inj h ASP 313 CO -0.00 0.31 0.00 2.30 -1.72 0.00 0.00 179.24 180.13 3inj n ILE 314 N -3.40 0.46 0.12 0.35 -5.35 -0.58 -4.84 119.36 106.12 3inj n ILE 314 Ca 0.00 -0.66 -0.16 0.00 -0.27 0.00 0.00 62.75 61.66 3inj n ILE 314 Cb 0.50 0.83 -0.09 0.00 -1.74 0.00 0.00 39.64 39.15 3inj n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3inj h TYR 315 N 0.00 -1.39 -0.48 4.28 5.03 -1.40 -0.63 116.97 122.38 3inj h TYR 315 Ca 0.00 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.40 3inj h TYR 315 Cb 0.33 0.59 -0.05 0.00 1.55 0.00 0.00 36.73 39.15 3inj h TYR 315 CO 0.00 -0.57 0.19 -0.44 -1.32 0.00 0.00 178.16 176.02 3inj h ASP 316 N -0.72 0.23 -0.54 -2.11 3.32 -1.88 0.15 116.42 114.86 3inj h ASP 316 Ca 0.01 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3inj h ASP 316 Cb 0.74 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3inj h ASP 316 CO -0.27 0.16 0.14 -0.08 -1.72 0.00 0.00 179.24 177.48 3inj h GLU 317 N 0.38 0.91 -0.38 3.56 4.81 -1.88 -1.79 114.58 120.20 3inj h GLU 317 Ca 0.22 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3inj h GLU 317 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3inj h GLU 317 CO -0.20 0.82 0.01 0.35 -0.73 0.00 0.00 179.01 179.26 3inj h PHE 318 N 0.88 0.72 -0.36 0.92 3.57 0.18 -1.92 116.94 120.92 3inj h PHE 318 Ca 0.19 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3inj h PHE 318 Cb 0.32 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3inj h PHE 318 CO 0.02 0.74 0.19 0.28 -2.23 0.00 0.00 178.31 177.31 3inj h VAL 319 N 0.49 1.15 -0.50 1.41 2.07 -0.52 0.08 116.25 120.43 3inj h VAL 319 Ca 0.11 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3inj h VAL 319 Cb 0.45 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3inj h VAL 319 CO 0.02 0.16 0.30 -0.08 0.02 0.00 0.00 177.57 177.99 3inj h GLU 320 N 0.46 0.68 -0.47 1.57 4.81 -1.25 0.18 114.58 120.56 3inj h GLU 320 Ca 0.13 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3inj h GLU 320 Cb 0.08 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3inj h GLU 320 CO -0.02 0.49 -0.01 0.00 -0.73 0.00 0.00 179.01 178.74 3inj h ARG 321 N 0.67 0.79 -0.33 1.92 3.08 -1.13 -1.28 114.38 118.11 3inj h ARG 321 Ca 0.18 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3inj h ARG 321 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3inj h ARG 321 CO -0.03 0.81 -0.24 0.77 -1.07 0.00 0.00 179.97 180.20 3inj h SER 322 N 0.74 0.79 -0.59 7.04 0.02 -0.58 -1.74 113.55 119.22 3inj h SER 322 Ca 0.14 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3inj h SER 322 Cb 0.47 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3inj h SER 322 CO 0.02 1.06 0.20 0.58 -1.14 0.00 0.00 176.83 177.55 3inj h VAL 323 N 0.52 1.24 -0.41 2.27 2.07 -0.80 -0.52 116.25 120.62 3inj h VAL 323 Ca 0.06 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3inj h VAL 323 Cb 0.80 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3inj h VAL 323 CO 0.06 0.30 0.25 0.00 0.02 0.00 0.00 177.57 178.21 3inj h ALA 324 N 1.06 0.52 -0.36 1.67 0.00 -1.13 -0.90 119.26 120.12 3inj h ALA 324 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3inj h ALA 324 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3inj h ALA 324 CO -0.01 -0.07 -0.18 -0.09 0.00 0.00 0.00 179.25 178.90 3inj h ARG 325 N 0.50 0.67 -0.49 0.00 9.65 -1.16 -2.70 114.38 120.85 3inj h ARG 325 Ca 0.16 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 3inj h ARG 325 Cb -0.01 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 3inj h ARG 325 CO -0.07 0.81 0.11 0.00 2.80 0.00 0.00 179.97 183.62 3inj h ALA 326 N 1.21 0.64 0.00 2.80 0.00 -0.70 -2.75 119.26 120.46 3inj h ALA 326 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3inj h ALA 326 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3inj h ALA 326 CO 0.05 0.34 -0.24 0.87 0.00 0.00 0.00 179.25 180.27 3inj h LYS 327 N 0.67 0.00 -0.01 0.00 1.57 -1.03 -2.55 116.57 115.22 3inj h LYS 327 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3inj h LYS 327 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3inj h LYS 327 CO 0.00 0.24 -0.30 -1.13 -0.57 0.00 0.00 179.45 177.69 3inj n SER 328 N -3.91 0.81 -4.66 0.86 3.41 -1.03 -4.86 113.62 104.24 3inj n SER 328 Ca -0.02 -0.67 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 3inj n SER 328 Cb 0.32 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3inj n SER 328 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3inj s ARG 329 N -2.64 4.12 0.04 4.33 3.52 -0.96 -4.94 118.95 122.42 3inj s ARG 329 Ca 0.21 2.27 -0.30 0.00 -0.13 0.00 0.00 55.73 57.78 3inj s ARG 329 Cb 0.19 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 3inj s ARG 329 CO 0.56 -0.93 1.10 0.08 -0.81 0.00 0.00 175.30 175.30 3inj s VAL 330 N 4.33 4.39 0.03 7.11 1.01 -1.26 -4.95 120.40 131.05 3inj s VAL 330 Ca 0.78 1.72 0.08 0.00 0.00 0.00 0.00 61.98 64.56 3inj s VAL 330 Cb -0.35 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3inj s VAL 330 CO 0.33 0.14 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 3inj s VAL 331 N 1.01 2.51 -5.00 2.92 1.01 -1.26 -1.64 120.40 119.95 3inj s VAL 331 Ca 0.56 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3inj s VAL 331 Cb -0.26 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3inj s VAL 331 CO 0.29 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3inj n GLY 332 N 1.75 0.06 3.54 4.51 0.00 -0.95 -4.96 105.19 109.13 3inj n GLY 332 Ca -0.16 -1.25 -0.48 0.00 0.00 0.00 0.00 46.02 44.12 3inj n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3inj n ASN 333 N 0.00 2.68 0.22 1.61 2.85 -1.26 -4.42 115.26 116.94 3inj n ASN 333 Ca 0.00 0.47 0.18 0.00 -0.11 0.00 0.00 54.58 55.12 3inj n ASN 333 Cb 0.00 -1.36 0.85 0.00 1.24 0.00 0.00 39.78 40.51 3inj n ASN 333 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3inj h PRO 334 N 12.44 0.00 -0.00 1.20 0.13 -1.90 0.28 132.00 144.14 3inj h PRO 334 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3inj h PRO 334 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3inj h PRO 334 CO 0.99 0.00 -0.23 1.19 -0.23 0.00 0.00 178.00 179.72 3inj n PHE 335 N -3.59 0.00 -2.73 1.56 3.01 -1.26 -1.25 117.46 113.20 3inj n PHE 335 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 3inj n PHE 335 Cb 0.35 -0.29 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3inj n PHE 335 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3inj s ASP 336 N -2.81 7.38 0.58 4.37 1.01 0.08 -4.92 116.67 122.36 3inj s ASP 336 Ca 0.18 1.67 0.35 0.00 0.71 0.00 0.00 52.55 55.46 3inj s ASP 336 Cb 0.19 -2.57 1.73 0.00 1.01 0.00 0.00 42.92 43.28 3inj s ASP 336 CO 0.57 -0.21 2.14 0.77 0.21 0.00 0.00 175.17 178.65 3inj h SER 337 N 6.50 0.00 1.06 0.27 4.64 -1.87 -1.69 113.55 122.47 3inj h SER 337 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3inj h SER 337 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3inj h SER 337 CO 0.74 0.05 -0.25 0.29 -0.87 0.00 0.00 176.83 176.78 3inj n LYS 338 N -3.31 0.18 -2.19 4.77 5.02 -1.26 -4.89 118.16 116.48 3inj n LYS 338 Ca -0.01 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 3inj n LYS 338 Cb 0.21 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 3inj n LYS 338 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3inj s THR 339 N -3.08 3.46 -0.13 -0.18 2.01 -0.64 -4.78 115.64 112.29 3inj s THR 339 Ca 0.10 1.00 0.18 0.00 0.31 0.00 0.00 61.69 63.28 3inj s THR 339 Cb 0.15 -3.64 -0.26 0.00 0.01 0.00 0.00 72.50 68.76 3inj s THR 339 CO 0.63 0.05 0.19 -0.62 -0.69 0.00 0.00 174.62 174.18 3inj n GLU 340 N 4.39 0.85 -3.70 4.92 1.02 -0.79 -4.90 120.64 122.43 3inj n GLU 340 Ca 0.12 -0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 3inj n GLU 340 Cb 0.43 -1.48 -0.18 0.00 -0.02 0.00 0.00 31.44 30.19 3inj n GLU 340 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3inj s GLN 341 N -2.76 0.16 0.00 3.49 0.74 -0.65 -4.87 119.66 115.77 3inj s GLN 341 Ca -0.09 0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.61 3inj s GLN 341 Cb 0.08 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.51 3inj s GLN 341 CO 0.78 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 3inj n GLY 342 N 5.25 -0.07 3.89 2.59 0.00 -1.26 -2.24 105.19 113.35 3inj n GLY 342 Ca -0.04 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 3inj n GLY 342 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3inj s PRO 343 N 0.24 3.07 0.99 1.61 0.04 -1.25 -4.77 135.00 134.92 3inj s PRO 343 Ca 0.00 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 3inj s PRO 343 Cb 0.00 -2.12 0.18 0.00 0.04 0.00 0.00 34.50 32.60 3inj s PRO 343 CO 0.00 -0.79 1.09 -0.65 0.04 0.00 0.00 177.00 176.69 3inj s GLN 344 N -5.18 0.48 0.19 4.56 -1.52 0.11 -4.74 119.66 113.55 3inj s GLN 344 Ca 0.56 0.52 0.02 0.00 -1.95 0.00 0.00 55.36 54.51 3inj s GLN 344 Cb -0.11 -1.74 0.10 0.00 -0.22 0.00 0.00 33.01 31.04 3inj s GLN 344 CO 0.50 -2.70 1.46 -0.24 -0.25 0.00 0.00 175.29 174.06 3inj h VAL 345 N -1.87 1.42 -2.77 1.09 3.04 -1.88 -3.43 116.25 111.85 3inj h VAL 345 Ca -0.54 -2.26 0.03 0.00 -1.01 0.00 0.00 66.70 62.92 3inj h VAL 345 Cb 1.33 2.21 -0.00 0.00 -2.01 0.00 0.00 31.29 32.81 3inj h VAL 345 CO 0.57 0.67 0.36 -0.90 -1.01 0.00 0.00 177.57 177.26 3inj n ASP 346 N -3.78 -1.97 -0.11 3.17 5.68 -1.26 -4.62 116.55 113.66 3inj n ASP 346 Ca -0.03 -2.27 -0.10 0.00 -0.50 0.00 0.00 54.79 51.89 3inj n ASP 346 Cb 0.71 3.26 -0.03 0.00 -1.14 0.00 0.00 41.12 43.92 3inj n ASP 346 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3inj h GLU 347 N 0.00 0.55 -0.27 0.11 4.81 -1.99 -0.83 114.58 116.95 3inj h GLU 347 Ca -0.29 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 3inj h GLU 347 Cb 1.14 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 3inj h GLU 347 CO 0.38 0.63 -0.15 1.15 -0.73 0.00 0.00 179.01 180.29 3inj h THR 348 N 0.37 0.55 -0.26 0.32 2.02 -1.99 0.17 112.91 114.09 3inj h THR 348 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3inj h THR 348 Cb 0.35 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3inj h THR 348 CO 0.01 0.00 0.10 1.56 0.37 0.00 0.00 175.52 177.56 3inj h GLN 349 N -0.12 0.38 -0.50 6.66 1.08 -1.94 -1.46 115.11 119.22 3inj h GLN 349 Ca 0.15 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 3inj h GLN 349 Cb 0.34 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.61 3inj h GLN 349 CO -0.35 0.42 -0.29 0.35 -0.95 0.00 0.00 178.83 178.00 3inj h PHE 350 N 0.27 -0.79 -0.40 2.96 3.57 -0.77 -0.45 116.94 121.33 3inj h PHE 350 Ca 0.09 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3inj h PHE 350 Cb 0.18 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3inj h PHE 350 CO -0.01 -0.36 -0.24 0.87 -2.23 0.00 0.00 178.31 176.34 3inj h LYS 351 N -0.18 0.81 -0.36 1.11 1.57 -0.86 -2.59 116.57 116.08 3inj h LYS 351 Ca 0.21 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3inj h LYS 351 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3inj h LYS 351 CO -0.60 0.96 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.83 3inj h LYS 352 N 0.70 0.68 -0.15 3.15 3.64 -0.83 -0.31 116.57 123.45 3inj h LYS 352 Ca 0.09 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3inj h LYS 352 Cb 0.76 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3inj h LYS 352 CO 0.06 0.83 -0.00 0.82 -2.27 0.00 0.00 179.45 178.89 3inj h ILE 353 N 0.60 1.26 -0.46 2.00 2.04 -1.00 -1.89 117.51 120.06 3inj h ILE 353 Ca 0.09 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.12 3inj h ILE 353 Cb 0.66 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3inj h ILE 353 CO 0.05 0.25 0.30 -0.07 0.00 0.00 0.00 178.15 178.68 3inj h LEU 354 N 0.00 0.48 -0.72 1.44 3.38 -1.39 -0.59 115.31 117.91 3inj h LEU 354 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3inj h LEU 354 Cb 0.38 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3inj h LEU 354 CO 0.01 0.34 0.34 1.23 0.09 0.00 0.00 178.44 180.45 3inj h GLY 355 N 0.56 1.12 1.43 0.83 0.00 -0.76 -1.58 103.07 104.68 3inj h GLY 355 Ca 0.18 -0.57 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 3inj h GLY 355 CO -0.04 0.54 -0.59 -0.97 0.00 0.00 0.00 176.54 175.47 3inj h TYR 356 N 1.02 0.75 -0.86 5.60 0.99 -0.47 -1.97 116.97 122.02 3inj h TYR 356 Ca 0.25 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 3inj h TYR 356 Cb 0.13 -0.14 -0.04 0.00 1.00 0.00 0.00 36.73 37.68 3inj h TYR 356 CO 0.01 1.04 0.49 0.82 -0.00 0.00 0.00 178.16 180.51 3inj h ILE 357 N 0.44 1.25 -0.48 -2.88 2.04 -1.02 -0.59 117.51 116.27 3inj h ILE 357 Ca -0.00 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3inj h ILE 357 Cb 1.16 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3inj h ILE 357 CO 0.11 0.27 0.26 -1.13 0.00 0.00 0.00 178.15 177.66 3inj h ASN 358 N 1.20 0.60 -0.71 1.72 -0.73 -1.04 -2.43 115.58 114.19 3inj h ASN 358 Ca 0.31 -0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.33 3inj h ASN 358 Cb -0.00 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 3inj h ASN 358 CO -0.05 0.53 0.23 0.71 -0.37 0.00 0.00 177.43 178.48 3inj h THR 359 N 0.63 1.26 -0.76 -3.57 1.35 -0.97 -0.83 112.91 110.03 3inj h THR 359 Ca 0.17 -0.87 0.10 0.00 -0.55 0.00 0.00 66.41 65.25 3inj h THR 359 Cb 0.06 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 66.89 3inj h THR 359 CO -0.03 0.34 0.40 1.23 -0.25 0.00 0.00 175.52 177.22 3inj h GLY 360 N 1.05 1.16 0.80 5.82 0.00 -0.89 0.26 103.07 111.26 3inj h GLY 360 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3inj h GLY 360 CO -0.01 0.08 -0.19 0.50 0.00 0.00 0.00 176.54 176.92 3inj h LYS 361 N 0.67 0.44 -0.59 4.80 1.57 -1.22 -1.57 116.57 120.68 3inj h LYS 361 Ca 0.37 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3inj h LYS 361 Cb 0.38 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3inj h LYS 361 CO -0.27 0.81 0.39 1.96 -0.57 0.00 0.00 179.45 181.77 3inj h GLN 362 N 0.10 0.66 -0.07 3.15 1.08 -0.47 -2.38 115.11 117.18 3inj h GLN 362 Ca 0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3inj h GLN 362 Cb 0.74 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3inj h GLN 362 CO 0.05 0.43 0.00 0.39 -0.95 0.00 0.00 178.83 178.75 3inj n GLU 363 N -4.47 1.75 -0.24 1.46 1.02 0.02 -4.93 120.64 115.25 3inj n GLU 363 Ca 0.07 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 3inj n GLU 363 Cb 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3inj n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3inj n GLY 364 N 1.19 0.85 3.73 0.62 0.00 -0.90 -5.06 105.19 105.62 3inj n GLY 364 Ca 0.18 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3inj n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inj s ALA 365 N -2.00 3.30 -0.52 4.61 0.00 -0.60 -4.98 121.76 121.57 3inj s ALA 365 Ca 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.34 3inj s ALA 365 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3inj s ALA 365 CO 0.00 -0.05 1.72 0.21 0.00 0.00 0.00 175.76 177.64 3inj s LYS 366 N -0.30 3.01 -0.40 0.00 2.47 -1.21 -4.55 119.74 118.77 3inj s LYS 366 Ca 0.47 0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 55.39 3inj s LYS 366 Cb -0.26 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 31.85 3inj s LYS 366 CO 0.32 -2.27 1.53 -1.17 0.16 0.00 0.00 175.35 173.92 3inj s LEU 367 N 7.64 3.55 0.06 5.43 2.96 -1.26 -0.81 118.68 136.25 3inj s LEU 367 Ca 0.67 0.94 0.19 0.00 -0.22 0.00 0.00 54.13 55.71 3inj s LEU 367 Cb -0.15 -3.50 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 3inj s LEU 367 CO 0.25 -1.54 0.75 0.18 -1.32 0.00 0.00 176.35 174.67 3inj n LEU 368 N 9.35 0.62 -3.64 -0.68 4.77 0.94 -4.99 117.00 123.38 3inj n LEU 368 Ca 0.18 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 3inj n LEU 368 Cb 0.48 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3inj n LEU 368 CO 0.70 0.06 0.65 0.00 -1.33 0.00 0.00 177.39 177.47 3inj n GLY 370 N -0.38 2.24 0.00 0.00 0.00 -1.24 -3.02 105.19 102.80 3inj n GLY 370 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3inj n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inj n GLY 371 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -4.98 105.19 100.51 3inj n GLY 371 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3inj n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inj n GLY 372 N 0.00 2.89 3.61 -0.02 0.00 -1.26 -4.92 105.19 105.49 3inj n GLY 372 Ca 0.00 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 3inj n GLY 372 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3inj n ILE 373 N 0.00 1.67 0.36 -0.61 5.41 -1.26 -0.86 119.36 124.07 3inj n ILE 373 Ca 0.00 -0.42 0.04 0.00 1.00 0.00 0.00 62.75 63.37 3inj n ILE 373 Cb 0.00 -1.08 -0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3inj n ILE 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3inj n ALA 374 N 0.66 2.73 -3.33 -1.39 0.00 -0.25 -4.63 120.51 114.30 3inj n ALA 374 Ca 0.10 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 3inj n ALA 374 Cb 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 3inj n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inj s ALA 375 N -1.20 -1.33 -1.08 0.00 0.00 -1.26 -4.97 121.76 111.92 3inj s ALA 375 Ca 0.07 0.69 0.28 0.00 0.00 0.00 0.00 51.96 53.00 3inj s ALA 375 Cb 0.06 0.27 1.26 0.00 0.00 0.00 0.00 23.12 24.71 3inj s ALA 375 CO 0.21 -0.45 1.93 -0.25 0.00 0.00 0.00 175.76 177.19 3inj n ASP 376 N 0.61 0.00 -3.84 0.00 8.00 -1.26 -4.74 116.55 115.32 3inj n ASP 376 Ca -0.19 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.56 3inj n ASP 376 Cb 0.59 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 41.08 3inj n ASP 376 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3inj s ARG 377 N -2.92 0.06 0.00 -1.24 3.52 -1.26 -5.10 118.95 112.00 3inj s ARG 377 Ca 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3inj s ARG 377 Cb 0.19 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3inj s ARG 377 CO 0.50 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 3inj n GLY 378 N 3.53 -0.23 2.27 8.12 0.00 -1.24 -4.69 105.19 112.95 3inj n GLY 378 Ca -0.19 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3inj n GLY 378 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inj n TYR 379 N 0.01 1.42 -2.97 1.61 4.02 -0.91 -4.82 117.16 115.52 3inj n TYR 379 Ca 0.00 -2.24 -0.40 0.00 -0.01 0.00 0.00 57.90 55.24 3inj n TYR 379 Cb 0.00 -1.83 -0.04 0.00 -0.02 0.00 0.00 39.34 37.44 3inj n TYR 379 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3inj s PHE 380 N 0.37 3.54 0.02 -0.72 0.40 -1.26 0.04 117.98 120.38 3inj s PHE 380 Ca 0.64 1.29 0.08 0.00 -0.60 0.00 0.00 56.93 58.34 3inj s PHE 380 Cb 0.27 -2.89 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 3inj s PHE 380 CO -0.08 -0.02 -0.24 0.42 0.70 0.00 0.00 175.22 176.00 3inj s ILE 381 N 1.20 2.28 0.40 0.64 1.01 -1.26 -1.09 121.20 124.38 3inj s ILE 381 Ca 0.39 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 3inj s ILE 381 Cb -0.18 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.33 3inj s ILE 381 CO 0.18 0.43 1.24 -1.10 0.00 0.00 0.00 174.94 175.69 3inj s GLN 382 N -1.09 4.01 0.01 2.79 -0.21 -0.04 -4.72 119.66 120.41 3inj s GLN 382 Ca 0.12 2.02 -0.33 0.00 0.02 0.00 0.00 55.36 57.19 3inj s GLN 382 Cb -0.10 -2.73 -0.11 0.00 1.00 0.00 0.00 33.01 31.06 3inj s GLN 382 CO 0.02 -0.41 1.86 -2.30 -2.12 0.00 0.00 175.29 172.33 3inj n PRO 383 N 0.13 2.43 -5.20 2.91 -0.02 -1.26 -4.48 135.00 129.51 3inj n PRO 383 Ca 0.04 0.89 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 3inj n PRO 383 Cb 0.45 -2.76 -0.17 0.00 -0.02 0.00 0.00 33.50 31.00 3inj n PRO 383 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3inj s THR 384 N 3.54 1.99 -0.14 3.45 2.01 -0.03 -3.66 115.64 122.81 3inj s THR 384 Ca 0.88 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3inj s THR 384 Cb -0.60 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3inj s THR 384 CO 0.45 0.55 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.10 3inj s VAL 385 N 0.09 1.54 -0.19 3.82 1.01 -1.17 0.21 120.40 125.71 3inj s VAL 385 Ca -0.10 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 3inj s VAL 385 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3inj s VAL 385 CO 0.06 0.45 0.06 -0.36 0.00 0.00 0.00 175.10 175.31 3inj s PHE 386 N 1.34 3.22 0.31 5.22 0.40 -0.05 -0.04 117.98 128.38 3inj s PHE 386 Ca 0.01 0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.41 3inj s PHE 386 Cb -0.13 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 3inj s PHE 386 CO -0.08 0.08 0.34 0.20 0.70 0.00 0.00 175.22 176.46 3inj s GLY 387 N 0.55 1.60 -1.46 4.36 0.00 0.01 -1.69 107.32 110.70 3inj s GLY 387 Ca 0.03 -1.51 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 3inj s GLY 387 CO 0.01 -1.46 0.77 1.22 0.00 0.00 0.00 173.10 173.65 3inj n ASP 388 N -1.43 -4.99 -4.77 1.64 8.00 -0.99 -3.29 116.55 110.72 3inj n ASP 388 Ca -0.03 -0.53 -0.38 0.00 0.71 0.00 0.00 54.79 54.56 3inj n ASP 388 Cb 0.59 -4.02 -0.00 0.00 -0.02 0.00 0.00 41.12 37.66 3inj n ASP 388 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3inj s VAL 389 N -3.17 2.81 0.08 2.53 1.01 -0.51 -4.82 120.40 118.33 3inj s VAL 389 Ca 0.50 0.67 0.04 0.00 0.00 0.00 0.00 61.98 63.19 3inj s VAL 389 Cb -0.24 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3inj s VAL 389 CO 0.61 0.06 0.02 -1.10 0.00 0.00 0.00 175.10 174.69 3inj s GLN 390 N -2.42 2.64 0.46 2.72 -1.52 -1.26 -4.61 119.66 115.67 3inj s GLN 390 Ca 0.60 -0.79 0.19 0.00 -1.95 0.00 0.00 55.36 53.41 3inj s GLN 390 Cb -0.34 -2.59 1.16 0.00 -0.22 0.00 0.00 33.01 31.02 3inj s GLN 390 CO 0.43 0.55 1.94 -0.44 -0.25 0.00 0.00 175.29 177.52 3inj h ASP 391 N 3.49 0.27 0.81 5.90 3.32 -1.95 -1.79 116.42 126.47 3inj h ASP 391 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3inj h ASP 391 Cb 1.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3inj h ASP 391 CO 0.61 0.14 -0.06 0.61 -1.72 0.00 0.00 179.24 178.82 3inj n GLY 392 N -1.56 -1.39 3.78 2.75 0.00 -1.26 -4.55 105.19 102.96 3inj n GLY 392 Ca 0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3inj n GLY 392 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3inj s MET 393 N -2.87 4.16 0.34 1.61 -1.94 -0.67 -4.94 119.30 114.99 3inj s MET 393 Ca 0.18 1.54 0.04 0.00 -1.71 0.00 0.00 55.69 55.75 3inj s MET 393 Cb 0.19 -2.56 0.68 0.00 2.01 0.00 0.00 34.83 35.15 3inj s MET 393 CO 0.53 -0.16 1.94 1.15 -0.01 0.00 0.00 175.02 178.47 3inj h THR 394 N 2.21 1.03 0.00 2.05 2.02 -1.89 0.48 112.91 118.80 3inj h THR 394 Ca -0.48 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3inj h THR 394 Cb 1.22 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3inj h THR 394 CO 0.62 0.15 0.00 2.30 0.37 0.00 0.00 175.52 178.97 3inj n ILE 395 N -4.48 0.70 0.78 3.11 -5.35 -1.26 -1.27 119.36 111.58 3inj n ILE 395 Ca 0.12 0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.80 3inj n ILE 395 Cb 0.23 -0.90 0.12 0.00 -1.74 0.00 0.00 39.64 37.35 3inj n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3inj n ALA 396 N -1.67 3.52 -0.05 -1.28 0.00 0.12 -4.60 120.51 116.56 3inj n ALA 396 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 3inj n ALA 396 Cb 0.27 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3inj n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3inj n LYS 397 N -1.77 0.22 -3.70 0.00 5.02 -0.97 -4.98 118.16 111.98 3inj n LYS 397 Ca 0.04 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.08 3inj n LYS 397 Cb 0.39 -1.01 -0.05 0.00 -0.02 0.00 0.00 35.03 34.34 3inj n LYS 397 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3inj s GLU 398 N -2.18 3.61 -0.10 1.97 2.02 -0.40 -4.90 118.70 118.72 3inj s GLU 398 Ca -0.13 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 3inj s GLU 398 Cb 0.04 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 3inj s GLU 398 CO 0.19 0.53 1.46 -2.00 0.02 0.00 0.00 175.26 175.46 3inj s GLU 399 N -2.38 4.21 -0.10 1.61 2.12 -1.26 -4.81 118.70 118.09 3inj s GLU 399 Ca 0.37 1.94 -0.07 0.00 0.36 0.00 0.00 54.97 57.57 3inj s GLU 399 Cb -0.13 -3.87 -0.27 0.00 0.26 0.00 0.00 34.13 30.12 3inj s GLU 399 CO 0.23 -0.77 0.45 0.82 -0.54 0.00 0.00 175.26 175.44 3inj h ILE 400 N 5.52 0.71 -4.15 -3.70 2.04 -1.93 -3.49 117.51 112.51 3inj h ILE 400 Ca -0.33 -2.40 -0.33 0.00 1.00 0.00 0.00 64.86 62.80 3inj h ILE 400 Cb 1.14 2.57 0.07 0.00 -0.74 0.00 0.00 36.82 39.86 3inj h ILE 400 CO 0.96 0.88 -0.52 0.33 0.00 0.00 0.00 178.15 179.80 3inj n PHE 401 N -3.49 -1.87 -3.95 1.37 7.35 -1.26 -4.70 117.46 110.90 3inj n PHE 401 Ca -0.30 0.56 -0.12 0.00 -0.76 0.00 0.00 57.45 56.84 3inj n PHE 401 Cb 1.05 -4.03 -0.02 0.00 0.35 0.00 0.00 39.48 36.83 3inj n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3inj n GLY 402 N -1.51 2.09 2.45 7.13 0.00 -1.21 -4.28 105.19 109.86 3inj n GLY 402 Ca -0.06 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 3inj n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3inj n PRO 403 N -0.50 3.56 -3.91 1.61 -0.05 -1.24 -4.46 135.00 130.01 3inj n PRO 403 Ca -0.01 -2.45 -0.30 0.00 -0.05 0.00 0.00 63.50 60.70 3inj n PRO 403 Cb 0.51 -2.92 -0.16 0.00 -0.05 0.00 0.00 33.50 30.88 3inj n PRO 403 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3inj s VAL 404 N 2.11 1.33 -0.11 0.52 1.01 -1.26 -0.85 120.40 123.16 3inj s VAL 404 Ca 0.62 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3inj s VAL 404 Cb 0.17 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3inj s VAL 404 CO -0.07 -0.03 0.40 -0.32 0.00 0.00 0.00 175.10 175.08 3inj s MET 405 N 1.50 4.22 -0.27 2.72 1.75 0.13 -4.99 119.30 124.37 3inj s MET 405 Ca -0.03 0.31 -0.08 0.00 -1.25 0.00 0.00 55.69 54.64 3inj s MET 405 Cb -0.18 -3.39 -0.02 0.00 2.84 0.00 0.00 34.83 34.08 3inj s MET 405 CO -0.07 0.29 0.09 -0.65 -0.65 0.00 0.00 175.02 174.04 3inj s GLN 406 N 0.24 3.58 -0.20 4.11 1.11 -1.25 -0.87 119.66 126.37 3inj s GLN 406 Ca 0.22 -0.53 -0.05 0.00 0.01 0.00 0.00 55.36 55.00 3inj s GLN 406 Cb -0.15 -3.40 -0.02 0.00 -1.01 0.00 0.00 33.01 28.43 3inj s GLN 406 CO 0.09 -0.25 0.00 0.42 0.01 0.00 0.00 175.29 175.56 3inj s ILE 407 N 1.62 3.97 0.16 1.08 1.01 -0.68 -0.72 121.20 127.63 3inj s ILE 407 Ca 0.06 -0.31 0.11 0.00 0.00 0.00 0.00 60.65 60.51 3inj s ILE 407 Cb -0.16 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3inj s ILE 407 CO 0.05 0.42 -0.25 -0.76 0.00 0.00 0.00 174.94 174.40 3inj s LEU 408 N 1.06 2.38 -0.10 2.97 1.02 0.33 -1.42 118.68 124.93 3inj s LEU 408 Ca 0.02 -0.81 -0.01 0.00 0.02 0.00 0.00 54.13 53.35 3inj s LEU 408 Cb -0.14 -1.15 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 3inj s LEU 408 CO 0.02 0.13 -0.04 -0.75 0.02 0.00 0.00 176.35 175.72 3inj s LYS 409 N -2.41 3.07 0.11 1.70 2.20 -1.26 -0.61 119.74 122.53 3inj s LYS 409 Ca 0.17 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 3inj s LYS 409 Cb -0.09 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 3inj s LYS 409 CO 0.08 0.55 0.07 -0.59 -0.36 0.00 0.00 175.35 175.10 3inj s PHE 410 N -0.50 0.63 -0.06 4.03 -0.12 -0.81 -4.89 117.98 116.27 3inj s PHE 410 Ca 0.08 -1.07 -0.09 0.00 -0.05 0.00 0.00 56.93 55.81 3inj s PHE 410 Cb -0.12 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 3inj s PHE 410 CO 0.02 -0.50 -0.17 1.17 -0.05 0.00 0.00 175.22 175.69 3inj n LYS 411 N -0.04 0.25 -4.04 1.99 4.81 -1.26 -0.22 118.16 119.66 3inj n LYS 411 Ca -0.09 0.10 -0.22 0.00 -0.87 0.00 0.00 58.31 57.23 3inj n LYS 411 Cb 0.63 -0.90 -0.04 0.00 0.02 0.00 0.00 35.03 34.74 3inj n LYS 411 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3inj s THR 412 N -2.21 4.33 0.23 3.15 -4.23 -1.26 -4.79 115.64 110.87 3inj s THR 412 Ca -0.14 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 3inj s THR 412 Cb 0.02 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 3inj s THR 412 CO 0.21 -0.31 1.55 -0.29 -0.54 0.00 0.00 174.62 175.23 3inj h ILE 413 N 1.41 1.38 -0.20 2.99 2.10 -1.99 -2.25 117.51 120.96 3inj h ILE 413 Ca -0.48 -1.98 -0.04 0.00 1.08 0.00 0.00 64.86 63.44 3inj h ILE 413 Cb 1.24 2.00 -0.01 0.00 -1.09 0.00 0.00 36.82 38.96 3inj h ILE 413 CO 0.60 0.59 -0.03 -0.33 -1.08 0.00 0.00 178.15 177.90 3inj h GLU 414 N 0.19 0.37 -0.42 2.19 3.07 -2.00 -2.79 114.58 115.19 3inj h GLU 414 Ca -0.01 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3inj h GLU 414 Cb 1.12 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.95 3inj h GLU 414 CO 0.10 0.60 0.11 1.49 -1.40 0.00 0.00 179.01 179.91 3inj h GLU 415 N 0.10 0.25 0.00 2.33 4.81 -1.93 -2.86 114.58 117.29 3inj h GLU 415 Ca 0.05 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3inj h GLU 415 Cb 0.45 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3inj h GLU 415 CO 0.02 0.16 -0.40 -0.24 -0.73 0.00 0.00 179.01 177.82 3inj h VAL 416 N 0.25 0.90 -0.38 0.32 3.04 -1.39 -1.74 116.25 117.25 3inj h VAL 416 Ca 0.20 -1.64 -0.05 0.00 -1.01 0.00 0.00 66.70 64.20 3inj h VAL 416 Cb 0.22 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 3inj h VAL 416 CO -0.24 0.39 0.04 0.58 -1.01 0.00 0.00 177.57 177.34 3inj h VAL 417 N 0.00 1.25 -0.66 1.51 2.07 -1.31 0.65 116.25 119.76 3inj h VAL 417 Ca -0.00 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3inj h VAL 417 Cb 0.97 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3inj h VAL 417 CO 0.05 0.30 0.15 1.23 0.02 0.00 0.00 177.57 179.32 3inj h GLY 418 N 0.48 1.12 0.50 2.17 0.00 -1.24 -1.57 103.07 104.53 3inj h GLY 418 Ca 0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 3inj h GLY 418 CO 0.01 0.65 -0.11 3.21 0.00 0.00 0.00 176.54 180.30 3inj h ARG 419 N 0.99 0.14 -0.87 4.80 3.08 -1.21 -2.48 114.38 118.83 3inj h ARG 419 Ca 0.21 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.22 3inj h ARG 419 Cb 0.37 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 3inj h ARG 419 CO 0.00 0.73 0.57 0.00 -1.07 0.00 0.00 179.97 180.20 3inj h ALA 420 N 0.41 1.55 -0.00 0.04 0.00 -0.80 -1.88 119.26 118.57 3inj h ALA 420 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3inj h ALA 420 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3inj h ALA 420 CO 0.02 0.32 -0.08 0.09 0.00 0.00 0.00 179.25 179.61 3inj n ASN 421 N -4.49 0.18 -4.48 0.00 3.02 -0.60 -4.46 115.26 104.43 3inj n ASN 421 Ca 0.13 -0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.13 3inj n ASN 421 Cb 0.20 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3inj n ASN 421 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3inj n ASN 422 N -1.27 5.09 -3.55 6.41 5.15 -0.71 -4.84 115.26 121.55 3inj n ASN 422 Ca 0.12 -2.96 -0.14 0.00 -0.60 0.00 0.00 54.58 51.00 3inj n ASN 422 Cb 0.29 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 37.84 3inj n ASN 422 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3inj s SER 423 N 3.30 -0.49 0.00 1.20 0.15 -1.26 -5.01 113.70 111.59 3inj s SER 423 Ca 0.47 0.53 0.29 0.00 0.70 0.00 0.00 55.95 57.94 3inj s SER 423 Cb 0.00 0.40 1.19 0.00 -1.71 0.00 0.00 66.02 65.91 3inj s SER 423 CO 0.03 -0.46 1.83 0.35 1.20 0.00 0.00 173.24 176.19 3inj n THR 424 N 0.79 0.00 -3.40 6.45 -2.24 -1.26 -4.83 114.28 109.79 3inj n THR 424 Ca -0.14 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 3inj n THR 424 Cb 0.58 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3inj n THR 424 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3inj s TYR 425 N -2.38 3.48 -0.36 4.78 4.12 -1.26 -1.31 117.35 124.42 3inj s TYR 425 Ca 0.31 0.56 0.08 0.00 0.02 0.00 0.00 57.07 58.03 3inj s TYR 425 Cb 0.20 -2.04 0.31 0.00 -1.52 0.00 0.00 41.96 38.92 3inj s TYR 425 CO 0.46 0.20 1.30 0.41 0.02 0.00 0.00 175.55 177.93 3inj n GLY 426 N -1.00 0.93 0.08 0.71 0.00 -1.24 -4.87 105.19 99.80 3inj n GLY 426 Ca -0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 3inj n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3inj h LEU 427 N 1.65 0.15 -8.32 0.99 5.85 -1.83 -0.82 115.31 112.98 3inj h LEU 427 Ca -0.35 -0.92 -0.14 0.00 0.84 0.00 0.00 57.88 57.31 3inj h LEU 427 Cb 1.28 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3inj h LEU 427 CO -0.11 1.05 -0.10 0.00 -0.34 0.00 0.00 178.44 178.94 3inj s ALA 428 N -2.55 0.11 0.12 1.25 0.00 -1.26 -2.27 121.76 117.15 3inj s ALA 428 Ca -0.17 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 3inj s ALA 428 Cb -0.01 1.05 0.07 0.00 0.00 0.00 0.00 23.12 24.23 3inj s ALA 428 CO 0.73 -0.85 0.93 0.00 0.00 0.00 0.00 175.76 176.58 3inj s ALA 429 N -3.39 -1.69 -0.02 0.00 0.00 -0.20 -4.03 121.76 112.43 3inj s ALA 429 Ca 0.25 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 3inj s ALA 429 Cb -0.01 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.73 3inj s ALA 429 CO 0.14 -0.95 0.33 0.00 0.00 0.00 0.00 175.76 175.28 3inj s ALA 430 N -3.26 -0.85 -0.03 0.00 0.00 -0.60 -1.57 121.76 115.45 3inj s ALA 430 Ca 0.10 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3inj s ALA 430 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3inj s ALA 430 CO -0.01 -0.27 -0.11 0.14 0.00 0.00 0.00 175.76 175.52 3inj s VAL 431 N -1.30 0.93 -0.20 0.00 -7.23 0.08 -0.57 120.40 112.10 3inj s VAL 431 Ca -0.13 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 3inj s VAL 431 Cb -0.05 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.09 3inj s VAL 431 CO 0.05 0.29 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.60 3inj s PHE 432 N 0.19 2.91 -0.16 2.82 0.40 0.53 -0.43 117.98 124.25 3inj s PHE 432 Ca -0.04 -1.73 -0.30 0.00 -0.60 0.00 0.00 56.93 54.26 3inj s PHE 432 Cb -0.10 -1.95 0.13 0.00 0.51 0.00 0.00 43.02 41.62 3inj s PHE 432 CO 0.01 -0.80 1.02 -0.08 0.70 0.00 0.00 175.22 176.07 3inj s THR 433 N 1.27 0.00 -2.26 0.64 -1.32 -1.26 -1.31 115.64 111.41 3inj s THR 433 Ca 0.02 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.77 3inj s THR 433 Cb -0.15 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.21 3inj s THR 433 CO -0.10 0.00 1.58 0.29 -2.21 0.00 0.00 174.62 174.18 3inj n LYS 434 N 0.66 1.41 -3.52 7.08 5.02 -1.25 -4.87 118.16 122.69 3inj n LYS 434 Ca -0.09 -0.90 -0.37 0.00 -2.02 0.00 0.00 58.31 54.92 3inj n LYS 434 Cb 0.58 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 3inj n LYS 434 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3inj s ASP 435 N -2.21 6.31 0.11 4.39 -1.08 -1.26 -4.99 116.67 117.94 3inj s ASP 435 Ca 0.31 0.36 -0.25 0.00 -0.52 0.00 0.00 52.55 52.45 3inj s ASP 435 Cb 0.20 -2.17 -0.08 0.00 -1.46 0.00 0.00 42.92 39.40 3inj s ASP 435 CO 0.41 0.01 1.67 0.25 0.52 0.00 0.00 175.17 178.04 3inj h LEU 436 N 7.39 -0.48 -0.55 -1.34 5.85 -1.99 -0.78 115.31 123.40 3inj h LEU 436 Ca -0.38 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 3inj h LEU 436 Cb 1.16 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3inj h LEU 436 CO 0.71 -0.24 -0.23 0.44 -0.34 0.00 0.00 178.44 178.77 3inj h ASP 437 N -0.31 0.94 -0.52 1.25 3.45 -1.99 -1.52 116.42 117.72 3inj h ASP 437 Ca 0.04 -0.36 -0.02 0.00 0.43 0.00 0.00 57.03 57.11 3inj h ASP 437 Cb 0.35 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3inj h ASP 437 CO -0.12 1.13 0.23 0.11 -1.57 0.00 0.00 179.24 179.01 3inj h LYS 438 N 0.79 0.76 -0.05 3.56 1.57 -1.96 0.18 116.57 121.42 3inj h LYS 438 Ca 0.10 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3inj h LYS 438 Cb 0.79 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3inj h LYS 438 CO 0.07 0.65 -0.14 0.00 -0.57 0.00 0.00 179.45 179.45 3inj h ALA 439 N 1.07 -0.13 -0.55 3.86 0.00 -0.86 -1.32 119.26 121.32 3inj h ALA 439 Ca 0.17 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3inj h ALA 439 Cb 0.16 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3inj h ALA 439 CO -0.02 -0.62 -0.09 -0.91 0.00 0.00 0.00 179.25 177.61 3inj h ASN 440 N -0.22 1.01 0.23 0.00 2.35 -1.12 -1.67 115.58 116.16 3inj h ASN 440 Ca 0.06 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3inj h ASN 440 Cb 0.31 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3inj h ASN 440 CO -0.17 1.11 -0.18 0.22 -1.65 0.00 0.00 177.43 176.75 3inj h TYR 441 N 0.91 -0.48 -0.07 1.19 3.20 -0.77 -2.86 116.97 118.08 3inj h TYR 441 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3inj h TYR 441 Cb 0.64 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3inj h TYR 441 CO 0.04 -0.28 0.00 -0.07 -1.64 0.00 0.00 178.16 176.22 3inj h LEU 442 N -0.43 0.12 -1.08 2.82 3.38 -1.13 -1.60 115.31 117.40 3inj h LEU 442 Ca -0.01 -0.29 0.15 0.00 0.09 0.00 0.00 57.88 57.81 3inj h LEU 442 Cb 0.38 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 3inj h LEU 442 CO -0.02 0.39 0.62 0.77 0.09 0.00 0.00 178.44 180.28 3inj h SER 443 N -0.14 0.82 -0.21 -0.43 4.64 -1.33 0.57 113.55 117.47 3inj h SER 443 Ca 0.02 0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3inj h SER 443 Cb 0.32 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3inj h SER 443 CO 0.00 0.39 -0.45 -0.61 -0.87 0.00 0.00 176.83 175.30 3inj h GLN 444 N 0.86 0.67 -0.02 4.77 4.15 -1.42 -3.34 115.11 120.78 3inj h GLN 444 Ca 0.51 -0.44 -0.18 0.00 0.77 0.00 0.00 58.65 59.31 3inj h GLN 444 Cb 0.67 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3inj h GLN 444 CO -0.28 1.06 -0.77 0.00 -1.93 0.00 0.00 178.83 176.91 3inj h ALA 445 N 0.60 0.65 -2.44 3.38 0.00 -0.15 -3.45 119.26 117.87 3inj h ALA 445 Ca 0.00 -0.66 -0.54 0.00 0.00 0.00 0.00 54.91 53.71 3inj h ALA 445 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3inj h ALA 445 CO 0.10 0.86 0.81 -0.51 0.00 0.00 0.00 179.25 180.51 3inj s LEU 446 N -7.57 4.34 -1.28 0.00 1.43 0.05 -4.94 118.68 110.72 3inj s LEU 446 Ca -0.03 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 3inj s LEU 446 Cb 0.11 -3.57 0.15 0.00 0.03 0.00 0.00 46.19 42.91 3inj s LEU 446 CO 0.81 -0.71 1.74 0.00 0.23 0.00 0.00 176.35 178.42 3inj n GLN 447 N 4.93 3.41 -3.99 1.70 6.02 -1.26 -4.93 117.38 123.25 3inj n GLN 447 Ca 0.13 -3.52 -0.09 0.00 -0.01 0.00 0.00 57.00 53.51 3inj n GLN 447 Cb 0.43 -3.06 -0.10 0.00 1.02 0.00 0.00 30.24 28.52 3inj n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3inj s ALA 448 N 1.48 0.17 0.34 -1.58 0.00 -1.26 -4.55 121.76 116.36 3inj s ALA 448 Ca 0.43 -0.73 0.13 0.00 0.00 0.00 0.00 51.96 51.79 3inj s ALA 448 Cb 0.05 0.20 0.66 0.00 0.00 0.00 0.00 23.12 24.03 3inj s ALA 448 CO 0.00 -0.25 1.78 0.78 0.00 0.00 0.00 175.76 178.07 3inj h GLY 449 N 4.04 0.00 -6.26 0.00 0.00 -0.85 -3.43 103.07 96.57 3inj h GLY 449 Ca -0.33 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.69 3inj h GLY 449 CO 0.50 0.00 -0.74 -1.59 0.00 0.00 0.00 176.54 174.71 3inj s THR 450 N -4.04 0.10 -0.20 4.70 2.01 -1.08 -4.71 115.64 112.43 3inj s THR 450 Ca -0.02 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 3inj s THR 450 Cb 0.14 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.47 3inj s THR 450 CO 0.73 0.11 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.93 3inj s VAL 451 N 0.83 2.45 -0.02 3.82 1.01 -1.26 -1.03 120.40 126.20 3inj s VAL 451 Ca -0.08 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3inj s VAL 451 Cb -0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3inj s VAL 451 CO -0.02 0.48 0.35 0.26 0.00 0.00 0.00 175.10 176.17 3inj s TRP 452 N 1.34 3.69 -0.19 5.22 0.51 -0.61 -4.98 118.94 123.92 3inj s TRP 452 Ca 0.05 0.87 0.01 0.00 -2.12 0.00 0.00 56.10 54.92 3inj s TRP 452 Cb -0.14 -2.20 0.03 0.00 -0.81 0.00 0.00 33.47 30.35 3inj s TRP 452 CO -0.10 0.66 -0.17 0.08 -0.51 0.00 0.00 176.95 176.91 3inj s VAL 453 N -1.10 2.00 -1.88 4.03 1.01 -1.26 -0.74 120.40 122.46 3inj s VAL 453 Ca 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3inj s VAL 453 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3inj s VAL 453 CO 0.12 0.39 0.00 0.59 0.00 0.00 0.00 175.10 176.20 3inj n ASN 454 N 4.60 -5.74 -3.09 3.32 3.02 0.43 -4.95 115.26 112.86 3inj n ASN 454 Ca -0.19 0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.41 3inj n ASN 454 Cb 0.48 -4.86 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 3inj n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3inj s TYR 456 N -2.59 -0.31 -1.38 0.00 5.04 -1.26 -4.73 117.35 112.12 3inj s TYR 456 Ca 0.15 0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 3inj s TYR 456 Cb -0.05 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.51 3inj s TYR 456 CO 0.11 -0.54 0.33 -0.25 -1.34 0.00 0.00 175.55 173.85 3inj n ASP 457 N 0.71 -4.81 -4.44 4.32 8.00 -1.26 -4.90 116.55 114.17 3inj n ASP 457 Ca -0.19 -0.15 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 3inj n ASP 457 Cb 0.59 -3.97 -0.04 0.00 -0.02 0.00 0.00 41.12 37.67 3inj n ASP 457 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3inj s VAL 458 N -2.94 4.47 0.09 2.53 1.01 -1.26 -5.03 120.40 119.27 3inj s VAL 458 Ca 0.21 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3inj s VAL 458 Cb -0.10 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 3inj s VAL 458 CO 0.26 -1.31 0.14 -0.36 0.00 0.00 0.00 175.10 173.82 3inj s PHE 459 N 3.68 3.29 -0.02 5.22 0.40 -1.26 -5.11 117.98 124.18 3inj s PHE 459 Ca 0.20 0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 3inj s PHE 459 Cb -0.18 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.72 3inj s PHE 459 CO 0.10 0.54 0.19 0.20 0.70 0.00 0.00 175.22 176.95 3inj s GLY 460 N -2.60 -0.04 0.61 4.36 0.00 -1.26 -5.02 107.32 103.38 3inj s GLY 460 Ca 0.31 0.12 0.36 0.00 0.00 0.00 0.00 44.72 45.52 3inj s GLY 460 CO 0.24 -0.01 2.27 0.00 0.00 0.00 0.00 173.10 175.60 3inj h ALA 461 N 4.57 1.26 0.00 3.20 0.00 -1.95 -2.56 119.26 123.78 3inj h ALA 461 Ca -0.29 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3inj h ALA 461 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3inj h ALA 461 CO 0.40 0.02 -0.52 1.96 0.00 0.00 0.00 179.25 181.11 3inj h GLN 462 N 0.00 0.00 -5.42 0.00 7.50 -1.95 0.16 115.11 115.40 3inj h GLN 462 Ca -0.00 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.51 3inj h GLN 462 Cb 0.06 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.39 3inj h GLN 462 CO 0.00 0.52 -0.66 -1.12 -1.50 0.00 0.00 178.83 176.07 3inj s SER 463 N -6.49 4.82 0.73 1.46 0.01 -0.97 -3.86 113.70 109.41 3inj s SER 463 Ca 0.02 -0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 3inj s SER 463 Cb 0.09 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.65 3inj s SER 463 CO 0.73 0.20 1.15 -2.84 0.41 0.00 0.00 173.24 172.90 3inj s PRO 464 N 0.17 2.25 -0.05 12.44 0.02 -1.26 -4.28 135.00 144.29 3inj s PRO 464 Ca -0.01 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.50 3inj s PRO 464 Cb -0.14 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3inj s PRO 464 CO 0.03 -1.70 0.13 0.12 -0.33 0.00 0.00 177.00 175.25 3inj s PHE 465 N -2.29 -0.15 0.00 6.54 5.36 0.12 -4.93 117.98 122.63 3inj s PHE 465 Ca 0.69 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3inj s PHE 465 Cb -0.24 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 3inj s PHE 465 CO 0.47 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.56 3inj n GLY 466 N 3.10 0.04 3.83 13.12 0.00 -1.26 -0.03 105.19 123.99 3inj n GLY 466 Ca -0.13 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3inj n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3inj s GLY 467 N 0.00 1.88 0.58 -0.02 0.00 -1.26 -3.92 107.32 104.59 3inj s GLY 467 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.63 3inj s GLY 467 CO 0.00 -1.06 0.85 -0.19 0.00 0.00 0.00 173.10 172.70 3inj s TYR 468 N -1.59 3.07 0.00 1.90 1.51 -0.41 -4.30 117.35 117.52 3inj s TYR 468 Ca 0.32 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 3inj s TYR 468 Cb -0.11 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 3inj s TYR 468 CO 0.24 -0.88 0.00 1.63 -1.11 0.00 0.00 175.55 175.43 3inj n LYS 469 N -2.50 0.00 -0.39 -0.62 5.02 -1.26 -1.60 118.16 116.80 3inj n LYS 469 Ca 0.06 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 3inj n LYS 469 Cb 0.59 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.83 3inj n LYS 469 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3inj n MET 470 N 14.00 2.73 0.00 1.97 2.81 -0.43 -3.61 117.12 134.60 3inj n MET 470 Ca 0.00 -1.83 0.14 0.00 -1.81 0.00 0.00 57.70 54.21 3inj n MET 470 Cb 0.00 -1.66 0.67 0.00 -0.71 0.00 0.00 33.22 31.52 3inj n MET 470 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3inj n SER 471 N 0.65 0.27 0.00 7.83 7.64 -0.63 -4.57 113.62 124.82 3inj n SER 471 Ca 0.17 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3inj n SER 471 Cb 0.61 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3inj n SER 471 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3inj n GLY 472 N 1.28 0.95 3.38 0.23 0.00 -1.24 0.51 105.19 110.31 3inj n GLY 472 Ca 0.14 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 3inj n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inj s SER 473 N -1.87 -0.49 0.00 1.61 1.04 -0.07 -4.38 113.70 109.53 3inj s SER 473 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3inj s SER 473 Cb 0.00 0.93 0.00 0.00 0.10 0.00 0.00 66.02 67.05 3inj s SER 473 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3inj n GLY 474 N 2.61 0.39 3.16 7.32 0.00 -1.26 -1.44 105.19 115.96 3inj n GLY 474 Ca -0.14 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 3inj n GLY 474 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3inj s ARG 475 N -2.48 1.06 0.28 1.61 1.81 -1.26 -4.27 118.95 115.70 3inj s ARG 475 Ca 0.00 -0.77 0.09 0.00 -1.72 0.00 0.00 55.73 53.33 3inj s ARG 475 Cb 0.00 -1.08 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 3inj s ARG 475 CO 0.00 0.27 0.04 -1.21 -0.68 0.00 0.00 175.30 173.72 3inj s GLU 476 N -1.05 2.33 0.19 3.54 2.02 0.96 -4.01 118.70 122.68 3inj s GLU 476 Ca 0.03 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.58 3inj s GLU 476 Cb -0.08 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3inj s GLU 476 CO 0.01 0.31 0.00 1.28 0.02 0.00 0.00 175.26 176.88 3inj n LEU 477 N -0.96 -0.33 0.00 1.80 4.77 -1.26 0.14 117.00 121.16 3inj n LEU 477 Ca -0.06 0.76 0.01 0.00 -0.03 0.00 0.00 56.01 56.69 3inj n LEU 477 Cb 0.59 -1.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3inj n LEU 477 CO 0.41 -0.98 -0.01 0.61 -1.33 0.00 0.00 177.39 176.09 3inj n GLY 478 N -3.05 -1.24 0.28 -0.72 0.00 0.55 -1.61 105.19 99.39 3inj n GLY 478 Ca -0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 3inj n GLY 478 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3inj h GLU 479 N 0.00 0.65 -0.71 1.61 4.81 -1.88 -2.91 114.58 116.15 3inj h GLU 479 Ca 0.00 -0.16 0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3inj h GLU 479 Cb 0.06 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3inj h GLU 479 CO 0.00 0.67 0.47 1.88 -0.73 0.00 0.00 179.01 181.31 3inj h TYR 480 N 0.62 0.57 0.00 0.92 -1.99 -1.93 -1.29 116.97 113.86 3inj h TYR 480 Ca 0.13 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.87 3inj h TYR 480 Cb 0.39 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.94 3inj h TYR 480 CO 0.02 0.25 0.00 0.41 -0.00 0.00 0.00 178.16 178.84 3inj n GLY 481 N -1.49 -0.87 0.13 3.88 0.00 -0.63 -1.92 105.19 104.29 3inj n GLY 481 Ca 0.12 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.30 3inj n GLY 481 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3inj h LEU 482 N 0.00 0.00 -0.36 0.99 3.38 -1.40 -3.39 115.31 114.52 3inj h LEU 482 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3inj h LEU 482 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3inj h LEU 482 CO 0.00 0.32 0.16 1.56 0.09 0.00 0.00 178.44 180.57 3inj h GLN 483 N 0.00 0.33 0.00 1.13 4.20 -1.52 -1.73 115.11 117.52 3inj h GLN 483 Ca -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3inj h GLN 483 Cb 1.29 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3inj h GLN 483 CO 0.03 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 3inj n ALA 484 N -2.30 1.56 0.17 3.87 0.00 -1.26 -2.32 120.51 120.22 3inj n ALA 484 Ca 0.01 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.58 3inj n ALA 484 Cb 0.10 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.41 3inj n ALA 484 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3inj n TYR 485 N -1.96 0.40 -4.93 0.00 4.02 -0.67 -4.90 117.16 109.12 3inj n TYR 485 Ca 0.02 -0.28 -0.33 0.00 -0.01 0.00 0.00 57.90 57.31 3inj n TYR 485 Cb 0.18 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.35 3inj n TYR 485 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3inj s THR 486 N -1.19 2.96 -0.15 -0.72 2.01 -0.98 -2.40 115.64 115.17 3inj s THR 486 Ca 0.29 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 3inj s THR 486 Cb 0.17 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3inj s THR 486 CO 0.23 0.59 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.94 3inj s GLU 487 N -0.65 3.41 -0.14 4.92 2.56 0.53 -4.70 118.70 124.62 3inj s GLU 487 Ca 0.10 -0.66 -0.16 0.00 0.00 0.00 0.00 54.97 54.25 3inj s GLU 487 Cb -0.11 -2.74 -0.04 0.00 2.00 0.00 0.00 34.13 33.24 3inj s GLU 487 CO 0.01 0.12 0.38 0.08 -0.56 0.00 0.00 175.26 175.29 3inj s VAL 488 N 0.60 5.25 -0.13 3.70 1.01 -1.26 -1.83 120.40 127.74 3inj s VAL 488 Ca -0.06 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3inj s VAL 488 Cb -0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3inj s VAL 488 CO 0.03 0.36 -0.17 -0.75 0.00 0.00 0.00 175.10 174.56 3inj s LYS 489 N 0.56 3.23 -0.23 2.72 2.20 -0.36 -4.98 119.74 122.88 3inj s LYS 489 Ca 0.21 -0.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 3inj s LYS 489 Cb -0.14 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 3inj s LYS 489 CO 0.07 0.15 0.28 0.99 -0.36 0.00 0.00 175.35 176.48 3inj s THR 490 N 0.47 5.27 -0.24 3.43 2.01 -1.26 -0.30 115.64 125.02 3inj s THR 490 Ca -0.12 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 3inj s THR 490 Cb -0.16 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 3inj s THR 490 CO 0.05 0.28 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.56 3inj s VAL 491 N 1.33 3.56 -0.21 3.82 1.01 0.15 -4.99 120.40 125.06 3inj s VAL 491 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3inj s VAL 491 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3inj s VAL 491 CO 0.07 0.33 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 3inj s THR 492 N 1.49 2.42 -0.14 3.92 2.01 -1.26 -1.35 115.64 122.73 3inj s THR 492 Ca 0.05 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3inj s THR 492 Cb -0.15 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 3inj s THR 492 CO -0.01 0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.44 3inj s VAL 493 N 1.29 2.92 0.20 3.82 1.01 0.18 -4.94 120.40 124.89 3inj s VAL 493 Ca 0.02 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 3inj s VAL 493 Cb -0.15 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 3inj s VAL 493 CO -0.09 0.52 1.56 -0.75 0.00 0.00 0.00 175.10 176.35 3inj s LYS 494 N 0.48 4.20 0.17 2.72 2.20 -1.26 0.31 119.74 128.56 3inj s LYS 494 Ca -0.10 2.41 0.09 0.00 -0.36 0.00 0.00 55.97 58.01 3inj s LYS 494 Cb -0.16 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3inj s LYS 494 CO 0.04 -0.59 -0.19 0.14 -0.36 0.00 0.00 175.35 174.39 3inj s VAL 495 N 0.76 1.91 0.15 4.02 -7.23 -0.65 -4.84 120.40 114.52 3inj s VAL 495 Ca 0.67 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.66 3inj s VAL 495 Cb -0.45 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 3inj s VAL 495 CO 0.36 -0.26 1.59 -0.65 -0.31 0.00 0.00 175.10 175.82 3inj h PRO 496 N 3.29 -0.36 -1.60 4.82 0.11 -1.96 -3.43 132.00 132.87 3inj h PRO 496 Ca -0.43 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 3inj h PRO 496 Cb 1.21 0.08 -0.26 0.00 0.11 0.00 0.00 31.00 32.14 3inj h PRO 496 CO 0.50 -0.24 -0.38 -1.14 -0.21 0.00 0.00 178.00 176.53 3inj s GLN 497 N -5.91 0.44 0.19 1.05 0.74 -1.26 -5.04 119.66 109.87 3inj s GLN 497 Ca -0.15 0.79 -0.31 0.00 0.05 0.00 0.00 55.36 55.74 3inj s GLN 497 Cb 0.11 0.02 -0.10 0.00 1.10 0.00 0.00 33.01 34.14 3inj s GLN 497 CO 0.65 -0.59 1.50 0.21 -0.55 0.00 0.00 175.29 176.52 3inj s LYS 498 N 2.68 4.25 0.03 1.67 2.36 -1.26 -5.02 119.74 124.45 3inj s LYS 498 Ca 0.14 2.31 0.03 0.00 -2.55 0.00 0.00 55.97 55.90 3inj s LYS 498 Cb -0.15 -3.15 -0.02 0.00 -1.05 0.00 0.00 37.83 33.46 3inj s LYS 498 CO -0.18 -0.52 -0.09 -0.80 1.55 0.00 0.00 175.35 175.31 3inj s ASN 499 N 0.84 1.04 0.00 1.43 0.01 -1.26 -5.00 114.94 112.00 3inj s ASN 499 Ca 0.65 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 3inj s ASN 499 Cb -0.42 -0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.27 3inj s ASN 499 CO 0.36 -0.08 0.55 -1.54 -1.51 0.00 0.00 177.10 174.87