#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsm s GLN 2 N 0.00 0.92 -0.08 -1.24 -0.21 -1.26 -5.13 119.66 112.66 1jsm s GLN 2 Ca 0.00 -1.19 -0.00 0.00 0.02 0.00 0.00 55.36 54.19 1jsm s GLN 2 Cb 0.00 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 33.34 1jsm s GLN 2 CO 0.00 0.12 -0.05 -1.50 -2.12 0.00 0.00 175.29 171.74 1jsm s ILE 3 N -2.28 0.72 0.04 1.08 1.10 -1.26 -5.15 121.20 115.45 1jsm s ILE 3 Ca 0.07 -0.14 0.09 0.00 -0.51 0.00 0.00 60.65 60.16 1jsm s ILE 3 Cb -0.04 -0.77 -0.03 0.00 0.15 0.00 0.00 42.46 41.77 1jsm s ILE 3 CO 0.01 0.30 -0.26 0.00 -2.11 0.00 0.00 174.94 172.89 1jsm s ILE 5 N -0.79 5.33 0.33 0.00 -1.09 -1.26 -5.08 121.20 118.63 1jsm s ILE 5 Ca 0.11 0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1jsm s ILE 5 Cb -0.10 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1jsm s ILE 5 CO 0.02 0.54 0.54 0.61 -1.23 0.00 0.00 174.94 175.42 1jsm n GLY 6 N 2.37 1.79 3.12 6.18 0.00 -1.26 -5.18 105.19 112.20 1jsm n GLY 6 Ca -0.16 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1jsm n GLY 6 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jsm s TYR 7 N -3.09 0.80 0.74 1.61 -0.85 -1.26 -5.14 117.35 110.15 1jsm s TYR 7 Ca 0.21 -0.69 -0.15 0.00 -0.52 0.00 0.00 57.07 55.92 1jsm s TYR 7 Cb -0.02 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.88 1jsm s TYR 7 CO 0.16 -0.11 1.14 1.58 -1.52 0.00 0.00 175.55 176.80 1jsm n HIS 8 N 0.75 1.21 -3.68 -3.49 -0.00 -1.26 -5.07 115.22 103.68 1jsm n HIS 8 Ca -0.18 0.40 -0.15 0.00 -0.00 0.00 0.00 57.72 57.80 1jsm n HIS 8 Cb 0.57 -2.14 -0.08 0.00 -0.00 0.00 0.00 29.99 28.35 1jsm n HIS 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jsm s ALA 9 N -1.83 -1.12 0.00 1.57 0.00 -1.26 -4.76 121.76 114.36 1jsm s ALA 9 Ca 0.76 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1jsm s ALA 9 Cb -0.33 0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1jsm s ALA 9 CO 0.48 -0.30 0.00 0.27 0.00 0.00 0.00 175.76 176.22 1jsm n ASN 10 N 1.19 0.00 -1.24 0.00 0.23 -1.26 -5.03 115.26 109.15 1jsm n ASN 10 Ca -0.21 -0.96 0.06 0.00 -0.53 0.00 0.00 54.58 52.95 1jsm n ASN 10 Cb 0.56 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.52 1jsm n ASN 10 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1jsm n ASN 11 N -1.68 3.61 -4.63 0.53 0.23 -1.26 -4.96 115.26 107.10 1jsm n ASN 11 Ca 0.00 -2.36 -0.42 0.00 -0.53 0.00 0.00 54.58 51.27 1jsm n ASN 11 Cb 0.00 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.20 1jsm n ASN 11 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1jsm n SER 12 N 0.68 1.67 -0.03 0.53 2.88 -1.26 -4.90 113.62 113.19 1jsm n SER 12 Ca 0.18 1.11 0.01 0.00 -1.33 0.00 0.00 58.87 58.84 1jsm n SER 12 Cb 0.70 -1.38 -0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1jsm n SER 12 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1jsm n THR 13 N -0.15 0.00 -1.70 2.46 5.66 -1.26 -4.84 114.28 114.45 1jsm n THR 13 Ca 0.08 -0.48 -0.43 0.00 -3.05 0.00 0.00 64.05 60.18 1jsm n THR 13 Cb 0.37 1.02 -0.01 0.00 -1.55 0.00 0.00 70.33 70.15 1jsm n THR 13 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jsm n GLU 14 N -0.58 2.16 -4.33 1.09 -0.58 -1.26 -4.88 120.64 112.27 1jsm n GLU 14 Ca 0.01 0.76 -0.19 0.00 -0.42 0.00 0.00 57.16 57.31 1jsm n GLU 14 Cb 0.03 -2.37 -0.13 0.00 -0.57 0.00 0.00 31.44 28.40 1jsm n GLU 14 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1jsm s GLN 15 N -1.52 0.87 0.22 3.49 -0.21 -1.26 -1.40 119.66 119.86 1jsm s GLN 15 Ca 0.58 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 55.30 1jsm s GLN 15 Cb -0.58 -0.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.53 1jsm s GLN 15 CO 0.59 0.21 -0.03 0.14 -2.12 0.00 0.00 175.29 174.08 1jsm s VAL 16 N -0.82 1.15 0.20 1.09 -7.23 -0.76 -4.89 120.40 109.13 1jsm s VAL 16 Ca 0.01 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.22 1jsm s VAL 16 Cb -0.08 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1jsm s VAL 16 CO 0.01 -0.41 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.47 1jsm s ASP 17 N -3.29 4.16 0.28 4.85 1.01 -1.26 -0.43 116.67 121.98 1jsm s ASP 17 Ca 0.26 -0.65 0.02 0.00 0.71 0.00 0.00 52.55 52.90 1jsm s ASP 17 Cb 0.05 -0.66 -0.04 0.00 1.01 0.00 0.00 42.92 43.27 1jsm s ASP 17 CO 0.07 0.09 0.14 0.42 0.21 0.00 0.00 175.17 176.10 1jsm s THR 18 N -1.83 0.34 0.12 -1.27 -4.23 -0.14 -4.98 115.64 103.64 1jsm s THR 18 Ca 0.26 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.59 1jsm s THR 18 Cb -0.08 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1jsm s THR 18 CO 0.15 0.00 1.69 0.40 -0.54 0.00 0.00 174.62 176.32 1jsm h ILE 19 N 2.31 1.16 0.00 2.99 1.08 -2.03 -3.19 117.51 119.83 1jsm h ILE 19 Ca -0.35 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1jsm h ILE 19 Cb 1.25 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1jsm h ILE 19 CO 0.54 0.16 -0.51 0.23 -0.69 0.00 0.00 178.15 177.89 1jsm n MET 20 N -4.77 0.27 -3.66 2.37 2.81 -1.26 -4.91 117.12 107.97 1jsm n MET 20 Ca -0.02 0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 1jsm n MET 20 Cb 0.11 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 30.84 1jsm n MET 20 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1jsm s GLU 21 N -3.15 0.64 0.19 0.03 2.12 -1.21 -5.16 118.70 112.17 1jsm s GLU 21 Ca 0.07 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.45 1jsm s GLU 21 Cb 0.13 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 1jsm s GLU 21 CO 0.70 -0.13 0.29 0.15 -0.54 0.00 0.00 175.26 175.72 1jsm s LYS 22 N 1.14 3.34 -1.23 4.30 1.02 -1.26 -0.97 119.74 126.08 1jsm s LYS 22 Ca -0.07 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 1jsm s LYS 22 Cb -0.06 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1jsm s LYS 22 CO -0.11 0.48 0.81 0.09 -0.92 0.00 0.00 175.35 175.69 1jsm n ASN 23 N -0.88 -2.52 -4.64 2.83 3.02 -0.93 -4.95 115.26 107.20 1jsm n ASN 23 Ca -0.08 -0.78 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 1jsm n ASN 23 Cb 0.55 -4.39 -0.05 0.00 -0.61 0.00 0.00 39.78 35.28 1jsm n ASN 23 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jsm s VAL 24 N -3.54 4.91 0.15 2.41 1.01 0.43 -4.81 120.40 120.96 1jsm s VAL 24 Ca 0.11 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1jsm s VAL 24 Cb -0.03 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1jsm s VAL 24 CO 0.79 -0.01 1.20 -0.89 0.00 0.00 0.00 175.10 176.20 1jsm s THR 25 N 2.54 3.68 0.13 3.92 2.01 -1.26 -1.83 115.64 124.82 1jsm s THR 25 Ca 0.32 1.35 0.06 0.00 0.31 0.00 0.00 61.69 63.72 1jsm s THR 25 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1jsm s THR 25 CO 0.09 0.18 -0.13 0.68 -0.69 0.00 0.00 174.62 174.75 1jsm s VAL 26 N 0.27 1.31 0.39 3.82 -7.23 -0.49 -1.00 120.40 117.46 1jsm s VAL 26 Ca 0.55 -1.78 0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1jsm s VAL 26 Cb -0.32 -1.59 0.14 0.00 0.56 0.00 0.00 36.38 35.18 1jsm s VAL 26 CO 0.34 -0.48 1.90 0.71 -0.31 0.00 0.00 175.10 177.27 1jsm h THR 27 N 3.37 1.13 -2.91 5.32 1.35 -1.22 -3.40 112.91 116.57 1jsm h THR 27 Ca -0.39 -1.00 -0.12 0.00 -0.55 0.00 0.00 66.41 64.34 1jsm h THR 27 Cb 1.20 1.55 -0.22 0.00 -1.73 0.00 0.00 68.15 68.94 1jsm h THR 27 CO 0.53 0.28 -0.27 -1.00 -0.25 0.00 0.00 175.52 174.81 1jsm s HIS 28 N -4.31 -0.31 0.16 4.73 3.76 -1.26 -4.79 115.29 113.27 1jsm s HIS 28 Ca -0.03 0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 55.44 1jsm s HIS 28 Cb 0.15 0.13 0.01 0.00 1.11 0.00 0.00 32.58 33.97 1jsm s HIS 28 CO 0.70 -0.29 0.36 0.00 -0.85 0.00 0.00 174.74 174.66 1jsm s ALA 29 N -0.50 -0.37 -0.12 -1.40 0.00 -1.26 -0.75 121.76 117.36 1jsm s ALA 29 Ca -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1jsm s ALA 29 Cb -0.04 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1jsm s ALA 29 CO 0.02 -0.68 0.00 -1.14 0.00 0.00 0.00 175.76 173.97 1jsm s GLN 30 N -3.92 0.73 0.15 0.00 0.74 0.89 -4.83 119.66 113.42 1jsm s GLN 30 Ca 0.13 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.11 1jsm s GLN 30 Cb 0.02 -1.46 -0.07 0.00 1.10 0.00 0.00 33.01 32.60 1jsm s GLN 30 CO -0.03 -0.42 1.14 0.34 -0.55 0.00 0.00 175.29 175.77 1jsm s ASP 31 N 1.90 7.19 -0.05 6.67 -1.08 -1.26 -1.00 116.67 129.03 1jsm s ASP 31 Ca 0.03 2.09 0.07 0.00 -0.52 0.00 0.00 52.55 54.23 1jsm s ASP 31 Cb -0.14 -2.60 0.11 0.00 -1.46 0.00 0.00 42.92 38.83 1jsm s ASP 31 CO -0.07 -0.31 1.00 2.30 0.52 0.00 0.00 175.17 178.61 1jsm n ILE 32 N 2.77 1.11 -3.93 4.11 -5.35 -0.77 -4.95 119.36 112.35 1jsm n ILE 32 Ca 0.04 -1.25 -0.35 0.00 -0.27 0.00 0.00 62.75 60.92 1jsm n ILE 32 Cb 0.46 0.27 -0.14 0.00 -1.74 0.00 0.00 39.64 38.49 1jsm n ILE 32 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1jsm s LEU 33 N -1.49 3.49 -0.08 7.28 2.96 -1.25 -2.35 118.68 127.24 1jsm s LEU 33 Ca 0.12 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 1jsm s LEU 33 Cb 0.11 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1jsm s LEU 33 CO 0.01 -0.18 1.11 -0.70 -1.32 0.00 0.00 176.35 175.27 1jsm s GLU 34 N 1.31 4.39 0.00 1.98 2.56 0.25 -4.91 118.70 124.27 1jsm s GLU 34 Ca -0.02 1.54 0.00 0.00 0.00 0.00 0.00 54.97 56.50 1jsm s GLU 34 Cb -0.18 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.41 1jsm s GLU 34 CO -0.03 -0.38 0.89 1.63 -0.56 0.00 0.00 175.26 176.81 1jsm n LYS 35 N 5.08 2.15 -4.42 4.30 5.02 -1.26 -2.59 118.16 126.44 1jsm n LYS 35 Ca 0.10 -1.28 -0.23 0.00 -2.02 0.00 0.00 58.31 54.88 1jsm n LYS 35 Cb 0.47 -0.99 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 1jsm n LYS 35 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jsm s THR 36 N -0.78 2.21 0.19 -0.18 -4.23 -1.26 -4.93 115.64 106.65 1jsm s THR 36 Ca 0.00 -2.28 -0.09 0.00 -1.18 0.00 0.00 61.69 58.14 1jsm s THR 36 Cb 0.00 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 1jsm s THR 36 CO 0.00 -0.42 0.32 -1.38 -0.54 0.00 0.00 174.62 172.60 1jsm s HIS 37 N -2.51 0.45 -1.91 3.99 -3.43 -1.26 -4.77 115.29 105.85 1jsm s HIS 37 Ca 0.26 -0.80 0.14 0.00 -0.80 0.00 0.00 55.06 53.86 1jsm s HIS 37 Cb -0.04 -0.04 0.41 0.00 -1.43 0.00 0.00 32.58 31.48 1jsm s HIS 37 CO 0.12 -0.77 1.33 0.27 -2.00 0.00 0.00 174.74 173.68 1jsm n ASN 38 N -0.26 2.52 -1.13 7.38 0.23 -0.43 -4.91 115.26 118.66 1jsm n ASN 38 Ca -0.05 -2.04 -0.15 0.00 -0.53 0.00 0.00 54.58 51.82 1jsm n ASN 38 Cb 0.63 -0.32 -0.06 0.00 -2.08 0.00 0.00 39.78 37.94 1jsm n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsm n GLY 39 N 1.17 1.38 3.30 4.83 0.00 -1.26 -4.81 105.19 109.80 1jsm n GLY 39 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1jsm n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsm s LYS 40 N -3.22 1.21 -0.28 1.61 1.02 -1.26 -4.74 119.74 114.09 1jsm s LYS 40 Ca 0.00 -1.55 -0.10 0.00 0.02 0.00 0.00 55.97 54.34 1jsm s LYS 40 Cb 0.00 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 1jsm s LYS 40 CO 0.00 0.06 0.15 -0.51 -0.92 0.00 0.00 175.35 174.13 1jsm s LEU 41 N -3.25 3.86 0.48 3.17 1.43 -1.26 -2.08 118.68 121.04 1jsm s LEU 41 Ca 0.21 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1jsm s LEU 41 Cb 0.03 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1jsm s LEU 41 CO 0.04 -0.07 0.23 0.00 0.23 0.00 0.00 176.35 176.79 1jsm s ASP 43 N -4.05 5.93 -0.34 0.00 1.11 -0.14 -4.55 116.67 114.62 1jsm s ASP 43 Ca 0.31 1.99 -0.08 0.00 0.18 0.00 0.00 52.55 54.95 1jsm s ASP 43 Cb 0.01 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.47 1jsm s ASP 43 CO 0.18 -1.07 0.14 -0.22 1.18 0.00 0.00 175.17 175.38 1jsm s LEU 44 N -3.91 4.39 -1.39 1.23 2.96 0.17 -1.10 118.68 121.02 1jsm s LEU 44 Ca 0.68 -1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1jsm s LEU 44 Cb -0.19 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1jsm s LEU 44 CO 0.27 -0.33 0.63 0.59 -1.32 0.00 0.00 176.35 176.20 1jsm n ASN 45 N 4.88 -1.35 0.00 3.68 3.02 -0.58 -1.75 115.26 123.16 1jsm n ASN 45 Ca -0.12 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1jsm n ASN 45 Cb 0.46 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 1jsm n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jsm n GLY 46 N -1.73 1.87 3.45 7.41 0.00 -1.26 -5.01 105.19 109.92 1jsm n GLY 46 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1jsm n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jsm s VAL 47 N -3.31 4.32 0.45 1.61 1.01 -0.72 -5.02 120.40 118.73 1jsm s VAL 47 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1jsm s VAL 47 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 1jsm s VAL 47 CO 0.00 0.35 1.07 -0.75 0.00 0.00 0.00 175.10 175.77 1jsm s LYS 48 N 1.55 3.91 0.71 2.72 2.20 -1.26 -0.66 119.74 128.91 1jsm s LYS 48 Ca 0.06 1.51 -0.11 0.00 -0.36 0.00 0.00 55.97 57.08 1jsm s LYS 48 Cb -0.15 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 1jsm s LYS 48 CO 0.04 -0.36 1.09 -1.25 -0.36 0.00 0.00 175.35 174.50 1jsm s PRO 49 N -2.83 2.71 -0.45 4.03 0.04 -1.26 -2.29 135.00 134.95 1jsm s PRO 49 Ca 0.63 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1jsm s PRO 49 Cb -0.21 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1jsm s PRO 49 CO 0.26 -1.09 0.66 -1.17 0.04 0.00 0.00 177.00 175.71 1jsm s LEU 50 N -5.35 4.49 -0.44 -3.56 2.96 0.06 -4.87 118.68 111.97 1jsm s LEU 50 Ca 0.58 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 1jsm s LEU 50 Cb -0.11 -2.74 0.05 0.00 0.50 0.00 0.00 46.19 43.89 1jsm s LEU 50 CO 0.50 -0.81 0.33 -0.63 -1.32 0.00 0.00 176.35 174.43 1jsm s ILE 51 N 2.89 5.12 -1.33 6.68 -1.09 -1.26 -0.60 121.20 131.60 1jsm s ILE 51 Ca 0.23 -0.92 0.22 0.00 -2.23 0.00 0.00 60.65 57.96 1jsm s ILE 51 Cb -0.14 -3.96 0.34 0.00 -1.58 0.00 0.00 42.46 37.11 1jsm s ILE 51 CO 0.19 -0.44 1.71 0.18 -1.23 0.00 0.00 174.94 175.35 1jsm n LEU 52 N 5.15 0.00 0.00 2.97 4.77 -0.33 -4.95 117.00 124.60 1jsm n LEU 52 Ca -0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1jsm n LEU 52 Cb 0.45 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1jsm n LEU 52 CO 0.43 -0.09 0.00 0.54 -1.33 0.00 0.00 177.39 176.94 1jsm n ARG 53 N -1.33 0.00 -0.30 3.23 1.74 -1.26 -0.60 116.66 118.13 1jsm n ARG 53 Ca 0.09 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 1jsm n ARG 53 Cb 0.19 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.87 1jsm n ARG 53 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jsm n ASP 54 N 7.23 2.95 -4.78 0.55 8.00 -1.26 -4.33 116.55 124.90 1jsm n ASP 54 Ca 0.00 -2.05 -0.34 0.00 0.71 0.00 0.00 54.79 53.11 1jsm n ASP 54 Cb 0.00 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 1jsm n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jsm s SER 56 N -1.46 5.10 0.25 0.00 1.04 -0.51 -4.77 113.70 113.36 1jsm s SER 56 Ca 0.20 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.66 1jsm s SER 56 Cb -0.12 -0.86 0.40 0.00 0.10 0.00 0.00 66.02 65.53 1jsm s SER 56 CO 0.10 -1.30 1.84 0.58 0.98 0.00 0.00 173.24 175.44 1jsm h VAL 57 N -0.13 1.00 -0.45 5.02 2.07 -1.97 -1.13 116.25 120.66 1jsm h VAL 57 Ca -0.42 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1jsm h VAL 57 Cb 1.30 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1jsm h VAL 57 CO 0.53 0.18 0.14 0.00 0.02 0.00 0.00 177.57 178.44 1jsm h ALA 58 N 1.45 0.60 -0.58 1.67 0.00 -1.93 0.35 119.26 120.81 1jsm h ALA 58 Ca 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jsm h ALA 58 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1jsm h ALA 58 CO -0.21 0.25 0.34 0.78 0.00 0.00 0.00 179.25 180.41 1jsm h GLY 59 N 0.60 0.84 0.49 0.00 0.00 -1.54 -0.86 103.07 102.60 1jsm h GLY 59 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1jsm h GLY 59 CO -0.00 0.34 -0.22 -0.25 0.00 0.00 0.00 176.54 176.41 1jsm h TRP 60 N 0.80 -0.56 -0.63 5.60 7.01 -0.82 0.21 115.95 127.56 1jsm h TRP 60 Ca 0.21 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1jsm h TRP 60 Cb -0.01 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 1jsm h TRP 60 CO 0.00 -0.30 0.39 -0.07 -2.79 0.00 0.00 178.44 175.68 1jsm h LEU 61 N -1.12 0.65 -0.46 0.65 3.38 -0.87 -2.38 115.31 115.16 1jsm h LEU 61 Ca -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jsm h LEU 61 Cb 0.51 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jsm h LEU 61 CO 0.10 0.46 -0.08 -0.07 0.09 0.00 0.00 178.44 178.94 1jsm h LEU 62 N 0.78 0.00 -0.70 1.67 3.38 -1.29 -3.45 115.31 115.70 1jsm h LEU 62 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1jsm h LEU 62 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jsm h LEU 62 CO -0.09 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1jsm n GLY 63 N 0.76 0.87 3.64 0.83 0.00 -0.82 -1.36 105.19 109.11 1jsm n GLY 63 Ca 0.03 -0.37 -0.49 0.00 0.00 0.00 0.00 46.02 45.19 1jsm n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jsm n ASN 64 N 0.56 2.47 0.20 1.61 2.85 -0.00 0.29 115.26 123.25 1jsm n ASN 64 Ca 0.00 1.09 0.18 0.00 -0.11 0.00 0.00 54.58 55.74 1jsm n ASN 64 Cb 0.29 -1.31 0.81 0.00 1.24 0.00 0.00 39.78 40.81 1jsm n ASN 64 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jsm h PRO 65 N 5.60 0.00 0.00 1.20 0.11 -1.87 0.27 132.00 137.30 1jsm h PRO 65 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jsm h PRO 65 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jsm h PRO 65 CO 0.85 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.31 1jsm n MET 66 N -3.46 0.57 -0.77 1.05 2.81 -1.26 -3.73 117.12 112.33 1jsm n MET 66 Ca 0.03 0.02 -0.03 0.00 -1.81 0.00 0.00 57.70 55.91 1jsm n MET 66 Cb 0.45 -1.50 0.20 0.00 -0.71 0.00 0.00 33.22 31.67 1jsm n MET 66 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jsm h ASP 68 N 1.02 0.00 -0.16 0.00 3.32 -1.71 -0.72 116.42 118.17 1jsm h ASP 68 Ca 0.19 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1jsm h ASP 68 Cb 1.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1jsm h ASP 68 CO 0.34 0.00 0.18 -0.08 -1.72 0.00 0.00 179.24 177.96 1jsm h GLU 69 N 0.00 0.00 -0.41 3.56 4.81 -1.92 -2.54 114.58 118.07 1jsm h GLU 69 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1jsm h GLU 69 Cb 0.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1jsm h GLU 69 CO 0.00 0.00 0.05 1.19 -0.73 0.00 0.00 179.01 179.52 1jsm n PHE 70 N -3.84 1.37 0.02 0.92 3.01 -0.28 -4.68 117.46 113.98 1jsm n PHE 70 Ca 0.01 -1.16 0.03 0.00 1.01 0.00 0.00 57.45 57.34 1jsm n PHE 70 Cb 0.30 -0.46 0.42 0.00 -0.01 0.00 0.00 39.48 39.72 1jsm n PHE 70 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1jsm h LEU 71 N 1.77 0.43 -5.77 4.37 3.38 -1.58 -3.34 115.31 114.58 1jsm h LEU 71 Ca 0.13 -0.03 -0.48 0.00 0.09 0.00 0.00 57.88 57.60 1jsm h LEU 71 Cb 1.73 -0.11 -0.33 0.00 0.09 0.00 0.00 40.66 42.05 1jsm h LEU 71 CO 0.40 0.36 -0.95 0.59 0.09 0.00 0.00 178.44 178.93 1jsm n ASN 72 N -4.44 -0.62 -4.78 -0.43 3.02 -1.26 -4.93 115.26 101.82 1jsm n ASN 72 Ca 0.02 -2.83 -0.36 0.00 -0.03 0.00 0.00 54.58 51.39 1jsm n ASN 72 Cb 0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1jsm n ASN 72 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jsm s VAL 73 N -0.67 3.49 0.81 2.41 -7.23 -1.25 -5.04 120.40 112.91 1jsm s VAL 73 Ca 0.34 1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 61.48 1jsm s VAL 73 Cb 0.18 -3.49 0.14 0.00 0.56 0.00 0.00 36.38 33.77 1jsm s VAL 73 CO -0.15 -0.09 1.12 -2.16 -0.31 0.00 0.00 175.10 173.51 1jsm s PRO 74 N -2.87 1.38 0.30 4.82 0.04 -1.26 -4.83 135.00 132.57 1jsm s PRO 74 Ca 0.64 -0.71 -0.28 0.00 0.04 0.00 0.00 61.00 60.69 1jsm s PRO 74 Cb -0.22 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 1jsm s PRO 74 CO 0.27 -1.77 1.05 -1.91 0.04 0.00 0.00 177.00 174.68 1jsm n GLU 75 N -3.19 1.46 -4.42 4.56 2.13 -1.26 -4.90 120.64 115.02 1jsm n GLU 75 Ca 0.14 0.51 -0.20 0.00 0.66 0.00 0.00 57.16 58.27 1jsm n GLU 75 Cb 0.60 -1.91 -0.10 0.00 0.27 0.00 0.00 31.44 30.29 1jsm n GLU 75 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1jsm s TRP 76 N -1.05 1.88 -0.21 4.31 -2.14 -0.36 -4.76 118.94 116.60 1jsm s TRP 76 Ca 0.58 -0.86 -0.16 0.00 2.66 0.00 0.00 56.10 58.32 1jsm s TRP 76 Cb -0.68 -1.15 -0.11 0.00 -3.10 0.00 0.00 33.47 28.43 1jsm s TRP 76 CO 0.60 0.09 -0.18 -1.13 -2.66 0.00 0.00 176.95 173.68 1jsm n SER 77 N -0.59 1.90 -4.17 -2.66 3.41 -0.97 -4.73 113.62 105.80 1jsm n SER 77 Ca -0.04 0.42 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1jsm n SER 77 Cb 0.65 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 1jsm n SER 77 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jsm s TYR 78 N -2.52 1.01 -0.04 7.33 -0.85 -1.26 -4.43 117.35 116.59 1jsm s TYR 78 Ca -0.30 -1.31 0.07 0.00 -0.52 0.00 0.00 57.07 55.02 1jsm s TYR 78 Cb 0.08 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 1jsm s TYR 78 CO 0.45 -0.59 -0.24 0.42 -1.52 0.00 0.00 175.55 174.07 1jsm s ILE 79 N -4.11 2.17 -0.12 -3.49 1.01 -0.15 -0.76 121.20 115.75 1jsm s ILE 79 Ca 0.32 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1jsm s ILE 79 Cb 0.07 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1jsm s ILE 79 CO 0.07 0.58 -0.22 -0.69 0.00 0.00 0.00 174.94 174.67 1jsm s VAL 80 N -0.40 2.02 0.07 2.92 1.01 0.23 -0.21 120.40 126.04 1jsm s VAL 80 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1jsm s VAL 80 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1jsm s VAL 80 CO 0.01 0.55 -0.16 -0.70 0.00 0.00 0.00 175.10 174.81 1jsm s GLU 81 N 0.61 0.93 0.78 2.72 2.12 -0.29 -1.19 118.70 124.37 1jsm s GLU 81 Ca -0.12 -0.93 -0.12 0.00 0.36 0.00 0.00 54.97 54.16 1jsm s GLU 81 Cb -0.17 -0.98 0.06 0.00 0.26 0.00 0.00 34.13 33.30 1jsm s GLU 81 CO 0.03 0.23 1.14 0.15 -0.54 0.00 0.00 175.26 176.27 1jsm s LYS 82 N -1.56 2.25 0.15 4.30 1.02 -1.25 -1.68 119.74 122.97 1jsm s LYS 82 Ca 0.01 0.31 -0.14 0.00 0.02 0.00 0.00 55.97 56.16 1jsm s LYS 82 Cb -0.09 -1.97 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1jsm s LYS 82 CO 0.02 -1.43 1.71 -0.44 -0.92 0.00 0.00 175.35 174.29 1jsm h ASP 83 N -0.94 0.65 -2.31 2.83 3.32 -1.94 -3.37 116.42 114.66 1jsm h ASP 83 Ca -0.46 -0.16 -0.58 0.00 0.02 0.00 0.00 57.03 55.85 1jsm h ASP 83 Cb 1.29 -0.17 -0.39 0.00 0.22 0.00 0.00 39.33 40.29 1jsm h ASP 83 CO 0.64 0.63 -0.95 0.59 -1.72 0.00 0.00 179.24 178.43 1jsm n ASN 84 N -4.59 0.43 -4.75 6.45 3.02 -1.26 -5.11 115.26 109.46 1jsm n ASN 84 Ca 0.01 -2.65 -0.42 0.00 -0.03 0.00 0.00 54.58 51.50 1jsm n ASN 84 Cb 0.14 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1jsm n ASN 84 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1jsm s PRO 85 N -0.71 4.11 0.23 3.52 0.02 -1.26 -4.92 135.00 135.99 1jsm s PRO 85 Ca 0.33 2.61 0.08 0.00 0.02 0.00 0.00 61.00 64.04 1jsm s PRO 85 Cb 0.08 -3.02 0.21 0.00 0.02 0.00 0.00 34.50 31.78 1jsm s PRO 85 CO -0.15 -0.67 1.52 -0.39 -0.33 0.00 0.00 177.00 176.98 1jsm h VAL 86 N 3.44 1.49 -3.06 3.83 -1.51 -1.89 -3.41 116.25 115.14 1jsm h VAL 86 Ca -0.46 -2.37 -0.74 0.00 -1.23 0.00 0.00 66.70 61.89 1jsm h VAL 86 Cb 1.22 2.28 -0.23 0.00 -2.13 0.00 0.00 31.29 32.43 1jsm h VAL 86 CO 0.82 0.68 -0.14 0.20 -1.23 0.00 0.00 177.57 177.90 1jsm s ASN 87 N -6.84 6.19 0.00 4.19 -0.87 -0.35 -4.87 114.94 112.38 1jsm s ASN 87 Ca -0.01 -1.66 0.00 0.00 -1.57 0.00 0.00 52.86 49.61 1jsm s ASN 87 Cb 0.12 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 1jsm s ASN 87 CO 0.78 -0.91 0.00 0.61 -2.57 0.00 0.00 177.10 175.02 1jsm n GLY 88 N 5.25 1.75 3.48 0.66 0.00 -1.26 -1.42 105.19 113.65 1jsm n GLY 88 Ca -0.13 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1jsm n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jsm s LEU 89 N 0.00 4.59 0.12 0.99 1.02 -1.26 -4.01 118.68 120.14 1jsm s LEU 89 Ca 0.00 -1.92 -0.19 0.00 0.02 0.00 0.00 54.13 52.04 1jsm s LEU 89 Cb 0.00 -2.45 -0.06 0.00 0.02 0.00 0.00 46.19 43.70 1jsm s LEU 89 CO 0.00 -1.18 1.77 0.00 0.02 0.00 0.00 176.35 176.96 1jsm s TYR 91 N -6.13 3.39 0.65 0.00 5.04 -1.26 -4.65 117.35 114.40 1jsm s TYR 91 Ca -0.13 1.22 -0.18 0.00 -2.44 0.00 0.00 57.07 55.54 1jsm s TYR 91 Cb 0.09 -3.02 -0.01 0.00 0.35 0.00 0.00 41.96 39.37 1jsm s TYR 91 CO 0.70 -0.27 1.30 -0.35 -1.34 0.00 0.00 175.55 175.58 1jsm n PRO 92 N 5.40 1.12 -0.86 4.97 -0.04 -1.25 -4.71 135.00 139.65 1jsm n PRO 92 Ca 0.05 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1jsm n PRO 92 Cb 0.48 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1jsm n PRO 92 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jsm n GLU 93 N -1.91 0.00 -4.24 0.54 0.00 -1.26 -0.74 120.64 113.03 1jsm n GLU 93 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.10 1jsm n GLU 93 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.80 1jsm n GLU 93 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1jsm s ASN 94 N -4.00 2.19 -0.25 4.31 -0.87 -0.22 -4.93 114.94 111.16 1jsm s ASN 94 Ca 0.00 -0.66 0.02 0.00 -1.57 0.00 0.00 52.86 50.65 1jsm s ASN 94 Cb 0.00 -0.10 0.06 0.00 -0.02 0.00 0.00 41.25 41.19 1jsm s ASN 94 CO 0.00 0.00 -0.06 0.12 -2.57 0.00 0.00 177.10 174.59 1jsm s PHE 95 N -1.23 2.80 0.35 2.20 5.36 -1.26 -0.40 117.98 125.81 1jsm s PHE 95 Ca 0.03 -2.07 -0.29 0.00 -0.96 0.00 0.00 56.93 53.65 1jsm s PHE 95 Cb -0.10 -1.82 -0.11 0.00 -0.34 0.00 0.00 43.02 40.65 1jsm s PHE 95 CO 0.03 -0.83 1.52 -0.80 -1.46 0.00 0.00 175.22 173.68 1jsm s ASN 96 N 1.25 6.36 -1.61 6.13 0.01 -0.12 -2.80 114.94 124.17 1jsm s ASN 96 Ca -0.05 3.01 -0.07 0.00 -0.71 0.00 0.00 52.86 55.04 1jsm s ASN 96 Cb -0.19 -2.66 0.07 0.00 0.41 0.00 0.00 41.25 38.88 1jsm s ASN 96 CO -0.06 -0.88 0.31 0.47 -1.51 0.00 0.00 177.10 175.43 1jsm n ASP 97 N 1.00 -0.43 -0.09 -1.22 8.00 -1.26 -4.77 116.55 117.78 1jsm n ASP 97 Ca 0.03 -1.18 -0.09 0.00 0.71 0.00 0.00 54.79 54.26 1jsm n ASP 97 Cb 0.39 -2.05 -0.02 0.00 -0.02 0.00 0.00 41.12 39.42 1jsm n ASP 97 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1jsm h TYR 98 N -1.57 0.39 -0.04 1.24 3.20 -1.93 -2.50 116.97 115.75 1jsm h TYR 98 Ca -0.63 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.19 1jsm h TYR 98 Cb 1.39 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1jsm h TYR 98 CO 0.57 0.26 -0.21 0.93 -1.64 0.00 0.00 178.16 178.07 1jsm h GLU 99 N 0.40 0.07 -0.18 1.82 3.07 -1.89 -1.33 114.58 116.54 1jsm h GLU 99 Ca 0.11 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 1jsm h GLU 99 Cb -0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1jsm h GLU 99 CO -0.02 0.28 -0.45 0.93 -1.40 0.00 0.00 179.01 178.35 1jsm h GLU 100 N 0.06 0.45 -0.45 2.33 4.39 -1.88 -1.34 114.58 118.15 1jsm h GLU 100 Ca 0.01 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1jsm h GLU 100 Cb 0.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1jsm h GLU 100 CO 0.03 0.82 -0.16 1.25 -1.16 0.00 0.00 179.01 179.78 1jsm h LEU 101 N 0.37 0.92 -0.93 1.33 5.85 -0.94 -0.61 115.31 121.30 1jsm h LEU 101 Ca 0.03 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1jsm h LEU 101 Cb 0.93 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1jsm h LEU 101 CO 0.08 1.10 0.40 0.11 -0.34 0.00 0.00 178.44 179.79 1jsm h LYS 102 N 0.74 1.17 -0.64 1.25 1.57 -1.14 -1.51 116.57 118.01 1jsm h LYS 102 Ca 0.11 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1jsm h LYS 102 Cb 0.72 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1jsm h LYS 102 CO 0.06 0.89 0.08 1.25 -0.57 0.00 0.00 179.45 181.16 1jsm h HIS 103 N 1.16 1.12 -0.76 -1.35 2.76 -0.96 -2.34 115.15 114.78 1jsm h HIS 103 Ca 0.28 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1jsm h HIS 103 Cb 0.10 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1jsm h HIS 103 CO 0.01 0.95 0.47 1.25 -1.30 0.00 0.00 177.93 179.32 1jsm h LEU 104 N 0.98 0.76 -0.54 0.26 5.85 -0.26 -2.36 115.31 120.01 1jsm h LEU 104 Ca 0.19 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1jsm h LEU 104 Cb 0.45 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1jsm h LEU 104 CO 0.01 0.52 0.25 -0.07 -0.34 0.00 0.00 178.44 178.81 1jsm h LEU 105 N 0.90 0.33 -0.07 2.25 3.38 -0.90 -1.90 115.31 119.31 1jsm h LEU 105 Ca 0.32 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1jsm h LEU 105 Cb 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jsm h LEU 105 CO -0.13 0.22 0.11 -1.54 0.09 0.00 0.00 178.44 177.19 1jsm n SER 106 N -4.91 0.03 -0.34 -0.43 3.41 -0.89 -0.59 113.62 109.90 1jsm n SER 106 Ca 0.06 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 1jsm n SER 106 Cb 0.18 -0.41 0.18 0.00 -0.26 0.00 0.00 64.21 63.90 1jsm n SER 106 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jsm n SER 107 N -1.44 2.85 -4.18 4.04 3.41 -0.71 -2.60 113.62 114.99 1jsm n SER 107 Ca -0.00 -3.05 -0.12 0.00 -0.26 0.00 0.00 58.87 55.43 1jsm n SER 107 Cb 0.11 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 1jsm n SER 107 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jsm s THR 108 N -2.84 0.85 -0.19 6.66 -1.32 0.24 -3.93 115.64 115.11 1jsm s THR 108 Ca 0.35 -1.86 0.02 0.00 -1.21 0.00 0.00 61.69 58.99 1jsm s THR 108 Cb 0.30 -1.60 0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1jsm s THR 108 CO 0.05 -0.75 0.45 0.59 -2.21 0.00 0.00 174.62 172.74 1jsm n ASN 109 N 0.12 0.91 -3.64 8.08 4.13 -0.92 -4.57 115.26 119.37 1jsm n ASN 109 Ca -0.13 -0.96 -0.07 0.00 1.68 0.00 0.00 54.58 55.11 1jsm n ASN 109 Cb 0.60 0.22 -0.07 0.00 -1.54 0.00 0.00 39.78 38.99 1jsm n ASN 109 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1jsm s HIS 110 N -0.38 -0.88 -0.35 3.10 2.46 -1.19 -1.23 115.29 116.83 1jsm s HIS 110 Ca 0.02 1.80 -0.02 0.00 0.47 0.00 0.00 55.06 57.33 1jsm s HIS 110 Cb 0.01 0.51 0.08 0.00 -0.13 0.00 0.00 32.58 33.05 1jsm s HIS 110 CO 0.03 -0.43 0.09 -0.06 -2.47 0.00 0.00 174.74 171.90 1jsm s PHE 111 N 1.36 3.42 -0.33 3.88 0.40 -1.26 -0.94 117.98 124.51 1jsm s PHE 111 Ca -0.08 -2.14 -0.18 0.00 -0.60 0.00 0.00 56.93 53.93 1jsm s PHE 111 Cb -0.05 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 1jsm s PHE 111 CO -0.16 -0.88 0.54 -2.00 0.70 0.00 0.00 175.22 173.42 1jsm s GLU 112 N 1.19 3.76 0.09 0.44 2.12 -0.53 -4.79 118.70 120.97 1jsm s GLU 112 Ca 0.01 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 1jsm s GLU 112 Cb -0.21 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 1jsm s GLU 112 CO -0.03 -0.58 1.16 0.21 -0.54 0.00 0.00 175.26 175.49 1jsm s LYS 113 N 2.44 4.47 0.09 4.30 2.20 -1.26 -0.08 119.74 131.89 1jsm s LYS 113 Ca 0.20 1.74 0.04 0.00 -0.36 0.00 0.00 55.97 57.59 1jsm s LYS 113 Cb -0.15 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1jsm s LYS 113 CO 0.12 -0.17 -0.11 0.96 -0.36 0.00 0.00 175.35 175.80 1jsm s ILE 114 N 0.75 0.94 -0.45 5.43 -4.36 0.17 -4.93 121.20 118.75 1jsm s ILE 114 Ca 0.56 -1.51 -0.21 0.00 -0.26 0.00 0.00 60.65 59.23 1jsm s ILE 114 Cb -0.29 -1.22 0.03 0.00 1.25 0.00 0.00 42.46 42.23 1jsm s ILE 114 CO 0.31 -0.47 0.65 -0.60 0.24 0.00 0.00 174.94 175.07 1jsm s ARG 115 N -2.44 3.27 0.01 0.37 3.52 -1.26 -0.51 118.95 121.91 1jsm s ARG 115 Ca 0.02 -0.40 0.21 0.00 -0.13 0.00 0.00 55.73 55.43 1jsm s ARG 115 Cb -0.05 -3.96 -0.24 0.00 -1.56 0.00 0.00 34.95 29.14 1jsm s ARG 115 CO 0.01 -1.04 0.58 0.44 -0.81 0.00 0.00 175.30 174.48 1jsm n ILE 116 N 5.85 0.43 -3.53 4.11 -5.35 -0.18 -4.79 119.36 115.91 1jsm n ILE 116 Ca -0.02 -0.58 -0.26 0.00 -0.27 0.00 0.00 62.75 61.62 1jsm n ILE 116 Cb 0.48 -0.21 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 1jsm n ILE 116 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jsm s ILE 117 N -3.29 -0.14 0.30 7.28 1.01 -0.93 -5.02 121.20 120.41 1jsm s ILE 117 Ca -0.06 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1jsm s ILE 117 Cb 0.11 -0.90 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 1jsm s ILE 117 CO 0.86 -0.60 1.43 -2.65 0.00 0.00 0.00 174.94 173.99 1jsm n PRO 118 N 5.27 2.31 0.28 2.79 -0.02 -1.26 -4.40 135.00 139.96 1jsm n PRO 118 Ca -0.06 0.82 0.15 0.00 -2.02 0.00 0.00 63.50 62.39 1jsm n PRO 118 Cb 0.44 -2.49 0.80 0.00 -0.02 0.00 0.00 33.50 32.24 1jsm n PRO 118 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jsm h ARG 119 N 3.71 0.00 -0.00 -0.52 2.43 -1.94 -1.56 114.38 116.51 1jsm h ARG 119 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1jsm h ARG 119 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1jsm h ARG 119 CO 0.71 0.08 -0.02 -1.13 -1.51 0.00 0.00 179.97 178.10 1jsm n SER 120 N -3.48 0.07 0.00 -3.80 3.41 -1.26 -3.49 113.62 105.06 1jsm n SER 120 Ca -0.02 -0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1jsm n SER 120 Cb 0.22 -0.24 0.59 0.00 -0.26 0.00 0.00 64.21 64.52 1jsm n SER 120 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jsm n SER 121 N -1.23 0.00 -4.42 4.04 2.88 -0.59 -4.48 113.62 109.82 1jsm n SER 121 Ca 0.15 0.40 -0.44 0.00 -1.33 0.00 0.00 58.87 57.64 1jsm n SER 121 Cb 0.24 -0.46 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1jsm n SER 121 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1jsm s TRP 122 N -2.93 3.73 0.20 0.66 0.52 -1.23 -4.83 118.94 115.06 1jsm s TRP 122 Ca 0.15 -2.28 0.08 0.00 0.02 0.00 0.00 56.10 54.08 1jsm s TRP 122 Cb 0.18 -4.16 0.09 0.00 -1.15 0.00 0.00 33.47 28.42 1jsm s TRP 122 CO 0.47 -1.26 1.45 0.66 0.02 0.00 0.00 176.95 178.30 1jsm h SER 123 N 7.07 0.02 -0.59 2.95 4.64 -1.92 -3.25 113.55 122.47 1jsm h SER 123 Ca 0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1jsm h SER 123 Cb 0.88 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1jsm h SER 123 CO 1.16 0.81 0.00 0.59 -0.87 0.00 0.00 176.83 178.52 1jsm n ASN 124 N -3.60 4.30 -4.15 4.97 3.02 -1.26 -4.94 115.26 113.59 1jsm n ASN 124 Ca -0.01 -2.35 -0.12 0.00 -0.03 0.00 0.00 54.58 52.07 1jsm n ASN 124 Cb 0.77 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 1jsm n ASN 124 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jsm s HIS 125 N -1.66 0.90 -0.38 3.10 3.76 -1.23 -4.47 115.29 115.32 1jsm s HIS 125 Ca 0.46 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 54.36 1jsm s HIS 125 Cb 0.29 -0.51 0.01 0.00 1.11 0.00 0.00 32.58 33.48 1jsm s HIS 125 CO 0.24 -0.09 0.81 0.34 -0.85 0.00 0.00 174.74 175.19 1jsm s ASP 126 N -2.65 6.56 -0.15 1.40 -1.08 0.16 -4.88 116.67 116.03 1jsm s ASP 126 Ca 0.07 0.34 0.16 0.00 -0.52 0.00 0.00 52.55 52.60 1jsm s ASP 126 Cb 0.01 -2.41 0.59 0.00 -1.46 0.00 0.00 42.92 39.64 1jsm s ASP 126 CO -0.03 -0.78 1.50 0.00 0.52 0.00 0.00 175.17 176.38 1jsm n ALA 127 N 6.54 3.04 -0.02 3.66 0.00 -1.26 -1.09 120.51 131.38 1jsm n ALA 127 Ca 0.04 -1.90 -0.02 0.00 0.00 0.00 0.00 53.44 51.56 1jsm n ALA 127 Cb 0.48 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1jsm n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jsm n SER 128 N 0.21 3.90 0.00 0.00 7.64 -1.26 -4.75 113.62 119.36 1jsm n SER 128 Ca 0.22 -0.01 0.14 0.00 1.01 0.00 0.00 58.87 60.23 1jsm n SER 128 Cb 0.87 0.17 0.76 0.00 -1.01 0.00 0.00 64.21 65.00 1jsm n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jsm n SER 129 N -2.43 0.00 -3.89 6.43 7.64 -1.26 -4.56 113.62 115.55 1jsm n SER 129 Ca -0.06 -0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.10 1jsm n SER 129 Cb 0.58 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1jsm n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsm n GLY 130 N 1.08 3.37 3.26 0.23 0.00 -1.24 -4.87 105.19 107.02 1jsm n GLY 130 Ca 0.16 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1jsm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jsm s VAL 131 N 4.45 0.79 0.00 1.61 -7.23 -1.26 -4.53 120.40 114.23 1jsm s VAL 131 Ca 0.53 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 1jsm s VAL 131 Cb 0.12 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.90 1jsm s VAL 131 CO 0.01 -0.44 0.27 -0.55 -0.31 0.00 0.00 175.10 174.07 1jsm s SER 132 N -3.21 -0.12 0.15 4.85 0.15 -0.28 -4.87 113.70 110.38 1jsm s SER 132 Ca 0.25 -0.06 0.19 0.00 0.70 0.00 0.00 55.95 57.04 1jsm s SER 132 Cb 0.06 0.30 0.82 0.00 -1.71 0.00 0.00 66.02 65.48 1jsm s SER 132 CO 0.05 -0.47 1.60 -1.54 1.20 0.00 0.00 173.24 174.08 1jsm n SER 133 N 1.14 0.38 0.26 5.45 3.41 -1.26 -1.64 113.62 121.35 1jsm n SER 133 Ca -0.21 0.59 0.16 0.00 -0.26 0.00 0.00 58.87 59.15 1jsm n SER 133 Cb 0.57 -0.67 0.58 0.00 -0.26 0.00 0.00 64.21 64.43 1jsm n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsm h ALA 134 N 2.36 1.00 -2.19 7.33 0.00 -1.88 -3.31 119.26 122.58 1jsm h ALA 134 Ca 0.00 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 1jsm h ALA 134 Cb 0.31 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.68 1jsm h ALA 134 CO 0.00 0.03 -0.74 0.00 0.00 0.00 0.00 179.25 178.54 1jsm s PRO 136 N -2.72 2.67 -0.19 0.00 0.04 -1.25 -1.31 135.00 132.23 1jsm s PRO 136 Ca 0.43 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1jsm s PRO 136 Cb 0.23 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.90 1jsm s PRO 136 CO -0.08 -1.37 0.48 -0.47 0.04 0.00 0.00 177.00 175.60 1jsm s TYR 137 N -2.23 -0.68 -1.44 0.56 5.04 -0.16 -4.67 117.35 113.77 1jsm s TYR 137 Ca 0.69 1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 56.76 1jsm s TYR 137 Cb -0.23 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.41 1jsm s TYR 137 CO 0.42 -0.36 0.28 0.09 -1.34 0.00 0.00 175.55 174.64 1jsm n ASN 138 N 3.94 -0.12 0.00 4.32 3.02 -1.26 -0.73 115.26 124.43 1jsm n ASN 138 Ca -0.20 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1jsm n ASN 138 Cb 0.56 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 1jsm n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jsm n GLY 139 N -2.20 0.11 3.29 7.41 0.00 -1.26 -4.98 105.19 107.56 1jsm n GLY 139 Ca -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 1jsm n GLY 139 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jsm s ARG 140 N -1.48 1.18 0.23 1.61 1.70 0.09 -5.11 118.95 117.17 1jsm s ARG 140 Ca 0.00 -1.53 -0.32 0.00 -0.47 0.00 0.00 55.73 53.41 1jsm s ARG 140 Cb 0.00 -0.71 -0.13 0.00 -0.57 0.00 0.00 34.95 33.54 1jsm s ARG 140 CO 0.00 0.05 1.58 0.43 -1.08 0.00 0.00 175.30 176.28 1jsm n SER 141 N -0.29 3.47 0.00 -2.89 7.64 -1.26 -0.99 113.62 119.30 1jsm n SER 141 Ca -0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1jsm n SER 141 Cb 0.61 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1jsm n SER 141 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1jsm n SER 142 N 2.92 0.00 -3.66 6.43 2.88 -0.43 -4.64 113.62 117.11 1jsm n SER 142 Ca 0.13 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1jsm n SER 142 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 1jsm n SER 142 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1jsm s PHE 143 N -0.22 -0.15 0.13 0.66 5.36 -1.24 -1.12 117.98 121.40 1jsm s PHE 143 Ca 0.00 -0.06 -0.35 0.00 -0.96 0.00 0.00 56.93 55.56 1jsm s PHE 143 Cb 0.00 0.59 -0.16 0.00 -0.34 0.00 0.00 43.02 43.11 1jsm s PHE 143 CO 0.00 -0.60 1.34 1.19 -1.46 0.00 0.00 175.22 175.69 1jsm n PHE 144 N -0.41 1.65 0.19 10.12 3.01 -1.26 -4.44 117.46 126.32 1jsm n PHE 144 Ca -0.07 0.57 0.08 0.00 1.01 0.00 0.00 57.45 59.04 1jsm n PHE 144 Cb 0.61 -2.37 0.23 0.00 -0.01 0.00 0.00 39.48 37.94 1jsm n PHE 144 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jsm h ARG 145 N 4.46 0.00 -0.00 -1.08 3.08 -0.11 -3.31 114.38 117.41 1jsm h ARG 145 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1jsm h ARG 145 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1jsm h ARG 145 CO 0.77 0.26 -0.18 0.09 -1.07 0.00 0.00 179.97 179.84 1jsm n ASN 146 N -3.23 0.66 -4.32 7.04 3.02 -0.47 -4.84 115.26 113.12 1jsm n ASN 146 Ca 0.02 -0.64 -0.17 0.00 -0.03 0.00 0.00 54.58 53.77 1jsm n ASN 146 Cb 0.57 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1jsm n ASN 146 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jsm s VAL 147 N -2.53 0.72 -0.16 2.41 -7.23 -1.25 -1.47 120.40 110.89 1jsm s VAL 147 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1jsm s VAL 147 Cb 0.20 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.65 1jsm s VAL 147 CO 0.50 -0.14 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.31 1jsm s VAL 148 N -3.64 1.66 -0.98 1.32 1.01 0.11 -4.79 120.40 115.09 1jsm s VAL 148 Ca 0.34 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1jsm s VAL 148 Cb 0.07 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.95 1jsm s VAL 148 CO 0.11 0.46 1.40 0.86 0.00 0.00 0.00 175.10 177.93 1jsm s TRP 149 N 1.45 2.58 0.29 5.22 -0.11 -1.26 -1.51 118.94 125.58 1jsm s TRP 149 Ca 0.05 -0.83 -0.29 0.00 1.22 0.00 0.00 56.10 56.24 1jsm s TRP 149 Cb -0.13 -4.64 -0.10 0.00 -1.50 0.00 0.00 33.47 27.10 1jsm s TRP 149 CO -0.11 -1.90 1.29 -0.51 -4.62 0.00 0.00 176.95 171.10 1jsm s LEU 150 N 4.78 4.44 0.14 5.86 1.43 -1.22 -3.73 118.68 130.39 1jsm s LEU 150 Ca 0.43 2.56 0.09 0.00 -1.03 0.00 0.00 54.13 56.19 1jsm s LEU 150 Cb -0.01 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1jsm s LEU 150 CO -0.08 -0.50 -0.21 -0.63 0.23 0.00 0.00 176.35 175.17 1jsm s ILE 151 N -0.74 1.90 0.91 -0.59 -1.09 -0.25 -4.79 121.20 116.55 1jsm s ILE 151 Ca 0.51 -1.79 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 1jsm s ILE 151 Cb -0.38 -1.80 0.08 0.00 -1.58 0.00 0.00 42.46 38.78 1jsm s ILE 151 CO 0.47 -0.16 0.79 2.29 -1.23 0.00 0.00 174.94 177.10 1jsm n LYS 152 N 0.63 -0.26 -4.09 2.79 2.85 0.10 -0.66 118.16 119.51 1jsm n LYS 152 Ca -0.16 -0.02 -0.18 0.00 -1.05 0.00 0.00 58.31 56.90 1jsm n LYS 152 Cb 0.55 -2.12 -0.16 0.00 -0.65 0.00 0.00 35.03 32.65 1jsm n LYS 152 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1jsm s LYS 153 N -4.02 0.58 -1.44 -1.58 2.20 0.38 -4.13 119.74 111.74 1jsm s LYS 153 Ca 0.63 -0.06 -0.08 0.00 -0.36 0.00 0.00 55.97 56.10 1jsm s LYS 153 Cb -0.24 -0.64 0.05 0.00 -1.51 0.00 0.00 37.83 35.49 1jsm s LYS 153 CO 0.61 -0.06 0.90 0.09 -0.36 0.00 0.00 175.35 176.52 1jsm n ASN 154 N 3.88 -3.58 -2.46 1.43 3.02 -1.26 -1.73 115.26 114.56 1jsm n ASN 154 Ca -0.24 -0.78 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 1jsm n ASN 154 Cb 0.52 -4.03 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 1jsm n ASN 154 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jsm n ASN 155 N -2.93 -5.59 -3.85 6.41 3.02 -1.26 -4.98 115.26 106.07 1jsm n ASN 155 Ca -0.09 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 1jsm n ASN 155 Cb 0.58 -4.66 -0.08 0.00 -0.61 0.00 0.00 39.78 35.02 1jsm n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsm s ALA 156 N -2.98 -0.29 -0.42 5.41 0.00 -0.70 -4.96 121.76 117.82 1jsm s ALA 156 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1jsm s ALA 156 Cb -0.01 0.38 0.17 0.00 0.00 0.00 0.00 23.12 23.65 1jsm s ALA 156 CO 0.03 -0.43 0.33 -0.47 0.00 0.00 0.00 175.76 175.22 1jsm s TYR 157 N -3.19 1.17 0.61 0.00 5.04 -1.26 -0.47 117.35 119.25 1jsm s TYR 157 Ca -0.00 -2.29 -0.19 0.00 -2.44 0.00 0.00 57.07 52.15 1jsm s TYR 157 Cb 0.02 -1.01 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 1jsm s TYR 157 CO -0.07 -0.81 1.26 -1.25 -1.34 0.00 0.00 175.55 173.33 1jsm s PRO 158 N 0.11 2.82 0.22 4.97 0.04 -1.26 -4.82 135.00 137.08 1jsm s PRO 158 Ca 0.30 1.96 -0.32 0.00 0.04 0.00 0.00 61.00 62.99 1jsm s PRO 158 Cb -0.00 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1jsm s PRO 158 CO -0.17 -1.36 1.54 2.41 0.04 0.00 0.00 177.00 179.46 1jsm n THR 159 N -1.66 0.50 -3.37 1.26 -1.04 -1.26 -4.82 114.28 103.89 1jsm n THR 159 Ca 0.14 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 1jsm n THR 159 Cb 0.49 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.30 1jsm n THR 159 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1jsm s ILE 160 N 0.45 4.88 -0.23 12.58 1.01 0.19 -4.94 121.20 135.14 1jsm s ILE 160 Ca 0.72 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 62.38 1jsm s ILE 160 Cb -0.62 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.11 1jsm s ILE 160 CO 0.43 0.56 0.10 -0.54 0.00 0.00 0.00 174.94 175.49 1jsm s LYS 161 N -1.03 0.22 0.01 2.79 1.02 -1.26 -2.28 119.74 119.21 1jsm s LYS 161 Ca 0.27 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 55.93 1jsm s LYS 161 Cb -0.18 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1jsm s LYS 161 CO 0.16 -0.82 -0.09 1.03 -0.92 0.00 0.00 175.35 174.72 1jsm s ARG 162 N 2.06 0.64 0.03 1.68 1.81 -0.18 -5.01 118.95 119.99 1jsm s ARG 162 Ca 0.05 -0.44 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 1jsm s ARG 162 Cb -0.16 -0.58 -0.02 0.00 -0.45 0.00 0.00 34.95 33.74 1jsm s ARG 162 CO -0.21 0.15 -0.12 0.45 -0.68 0.00 0.00 175.30 174.90 1jsm s SER 163 N -0.59 1.36 -0.04 0.23 0.15 -1.26 -0.06 113.70 113.49 1jsm s SER 163 Ca 0.00 -0.42 -0.00 0.00 0.70 0.00 0.00 55.95 56.23 1jsm s SER 163 Cb -0.05 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1jsm s SER 163 CO 0.00 -0.00 0.01 -0.47 1.20 0.00 0.00 173.24 173.98 1jsm s TYR 164 N -0.83 0.30 -0.19 3.44 5.04 -0.21 -4.97 117.35 119.93 1jsm s TYR 164 Ca -0.00 0.03 -0.11 0.00 -2.44 0.00 0.00 57.07 54.55 1jsm s TYR 164 Cb -0.07 -0.47 -0.05 0.00 0.35 0.00 0.00 41.96 41.72 1jsm s TYR 164 CO 0.01 -0.17 0.17 1.21 -1.34 0.00 0.00 175.55 175.43 1jsm s ASN 165 N 1.37 6.27 -0.97 4.32 3.84 -1.26 -1.03 114.94 127.47 1jsm s ASN 165 Ca -0.05 0.31 -0.23 0.00 0.21 0.00 0.00 52.86 53.10 1jsm s ASN 165 Cb -0.13 -2.11 0.06 0.00 -0.55 0.00 0.00 41.25 38.52 1jsm s ASN 165 CO -0.03 0.18 1.38 0.21 -2.79 0.00 0.00 177.10 176.05 1jsm s ASN 166 N 0.29 6.47 -0.03 -4.21 2.47 0.11 -4.78 114.94 115.27 1jsm s ASN 166 Ca 0.10 -1.41 0.05 0.00 0.42 0.00 0.00 52.86 52.03 1jsm s ASN 166 Cb -0.12 -2.55 0.19 0.00 -1.45 0.00 0.00 41.25 37.33 1jsm s ASN 166 CO -0.00 -1.49 1.02 0.35 -3.72 0.00 0.00 177.10 173.26 1jsm n THR 167 N 6.65 0.46 -2.97 -5.21 -2.24 -1.26 0.00 114.28 109.71 1jsm n THR 167 Ca 0.28 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1jsm n THR 167 Cb 0.50 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1jsm n THR 167 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jsm s ASN 168 N -0.68 5.61 0.27 3.42 0.01 -1.26 -4.99 114.94 117.32 1jsm s ASN 168 Ca 0.14 -0.23 0.23 0.00 -0.71 0.00 0.00 52.86 52.29 1jsm s ASN 168 Cb 0.09 -0.85 0.16 0.00 0.41 0.00 0.00 41.25 41.06 1jsm s ASN 168 CO 0.07 -0.82 1.27 1.56 -1.51 0.00 0.00 177.10 177.67 1jsm h GLN 169 N 0.50 0.00 -6.23 -0.60 4.20 -2.00 -3.41 115.11 107.57 1jsm h GLN 169 Ca -0.42 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.75 1jsm h GLN 169 Cb 1.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 1jsm h GLN 169 CO 0.49 0.00 -0.32 -1.21 -0.67 0.00 0.00 178.83 177.11 1jsm s GLU 170 N -3.29 3.53 0.59 1.46 8.01 -1.26 -4.81 118.70 122.93 1jsm s GLU 170 Ca 0.03 -0.30 -0.20 0.00 0.01 0.00 0.00 54.97 54.51 1jsm s GLU 170 Cb 0.09 -2.83 -0.03 0.00 -4.31 0.00 0.00 34.13 27.04 1jsm s GLU 170 CO 0.74 0.40 1.29 -0.51 0.01 0.00 0.00 175.26 177.19 1jsm s ASP 171 N -3.10 5.05 -0.13 -0.19 1.01 -1.26 -4.43 116.67 113.62 1jsm s ASP 171 Ca 0.39 2.60 0.01 0.00 0.71 0.00 0.00 52.55 56.26 1jsm s ASP 171 Cb -0.11 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 1jsm s ASP 171 CO 0.29 -1.70 -0.17 -0.22 0.21 0.00 0.00 175.17 173.57 1jsm s LEU 172 N -3.94 2.44 -0.30 1.23 2.96 -0.07 -1.16 118.68 119.85 1jsm s LEU 172 Ca 0.77 -0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 54.06 1jsm s LEU 172 Cb -0.36 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1jsm s LEU 172 CO 0.41 0.14 0.50 -0.22 -1.32 0.00 0.00 176.35 175.85 1jsm s LEU 173 N 0.49 4.16 -0.11 -0.68 2.96 0.42 -0.18 118.68 125.74 1jsm s LEU 173 Ca -0.12 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1jsm s LEU 173 Cb -0.16 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1jsm s LEU 173 CO 0.05 -0.35 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.95 1jsm s ILE 174 N 2.32 2.85 0.05 6.68 1.01 -0.52 -1.67 121.20 131.91 1jsm s ILE 174 Ca 0.19 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1jsm s ILE 174 Cb -0.16 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1jsm s ILE 174 CO 0.11 0.54 -0.24 -0.76 0.00 0.00 0.00 174.94 174.59 1jsm s LEU 175 N 0.18 2.32 0.36 2.97 1.43 -1.26 -1.55 118.68 123.13 1jsm s LEU 175 Ca -0.09 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 1jsm s LEU 175 Cb -0.15 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1jsm s LEU 175 CO 0.05 0.25 0.74 -1.66 0.23 0.00 0.00 176.35 175.97 1jsm s TRP 176 N -0.86 0.17 0.29 0.29 -2.14 -0.93 -4.12 118.94 111.64 1jsm s TRP 176 Ca 0.13 -0.77 -0.08 0.00 2.66 0.00 0.00 56.10 58.04 1jsm s TRP 176 Cb -0.10 0.72 0.03 0.00 -3.10 0.00 0.00 33.47 31.02 1jsm s TRP 176 CO 0.03 -1.47 0.52 0.41 -2.66 0.00 0.00 176.95 173.79 1jsm n GLY 177 N -0.52 1.59 2.98 3.67 0.00 -0.16 -0.68 105.19 112.05 1jsm n GLY 177 Ca -0.07 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1jsm n GLY 177 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jsm s ILE 178 N -2.45 0.32 -0.17 -0.61 2.07 -0.26 -0.67 121.20 119.43 1jsm s ILE 178 Ca 0.15 -0.55 -0.14 0.00 -1.41 0.00 0.00 60.65 58.70 1jsm s ILE 178 Cb -0.03 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1jsm s ILE 178 CO 0.11 -0.16 0.31 -2.28 -1.91 0.00 0.00 174.94 171.02 1jsm s HIS 179 N -0.70 3.44 -0.50 3.50 5.65 0.09 -0.93 115.29 125.84 1jsm s HIS 179 Ca -0.05 0.59 -0.12 0.00 0.25 0.00 0.00 55.06 55.73 1jsm s HIS 179 Cb -0.05 -2.38 0.12 0.00 -1.18 0.00 0.00 32.58 29.09 1jsm s HIS 179 CO -0.00 0.18 0.42 -1.01 -0.65 0.00 0.00 174.74 173.67 1jsm s HIS 180 N 0.66 3.35 1.00 3.88 0.09 0.21 -4.74 115.29 119.74 1jsm s HIS 180 Ca 0.17 -1.61 -0.12 0.00 -0.00 0.00 0.00 55.06 53.50 1jsm s HIS 180 Cb -0.13 -3.64 0.19 0.00 -0.00 0.00 0.00 32.58 29.00 1jsm s HIS 180 CO 0.05 -1.01 1.08 -2.14 -0.00 0.00 0.00 174.74 172.73 1jsm s PRO 181 N 1.47 0.42 0.27 8.40 0.02 -1.26 -1.87 135.00 142.44 1jsm s PRO 181 Ca 0.05 1.03 0.17 0.00 0.02 0.00 0.00 61.00 62.26 1jsm s PRO 181 Cb -0.28 -1.70 0.07 0.00 0.02 0.00 0.00 34.50 32.62 1jsm s PRO 181 CO 0.01 -2.87 1.36 -2.95 -0.33 0.00 0.00 177.00 172.21 1jsm h ASN 182 N -2.02 0.00 -5.30 2.53 -1.07 -1.82 -1.51 115.58 106.39 1jsm h ASN 182 Ca -0.52 0.00 0.17 0.00 0.07 0.00 0.00 56.30 56.02 1jsm h ASN 182 Cb 1.30 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 37.47 1jsm h ASN 182 CO 0.49 0.41 0.46 1.51 0.07 0.00 0.00 177.43 180.38 1jsm s ASP 183 N -6.27 -0.17 0.33 6.14 1.47 -1.26 -2.60 116.67 114.31 1jsm s ASP 183 Ca 0.03 -0.44 0.06 0.00 1.18 0.00 0.00 52.55 53.38 1jsm s ASP 183 Cb 0.07 0.51 0.73 0.00 -0.34 0.00 0.00 42.92 43.89 1jsm s ASP 183 CO 0.75 -0.95 1.86 0.00 0.68 0.00 0.00 175.17 177.51 1jsm h ALA 184 N 2.00 1.72 -0.83 2.11 0.00 -1.93 -0.62 119.26 121.71 1jsm h ALA 184 Ca -0.24 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1jsm h ALA 184 Cb 1.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1jsm h ALA 184 CO 0.26 0.04 0.39 0.00 0.00 0.00 0.00 179.25 179.93 1jsm h ALA 185 N 1.58 1.07 -0.19 0.00 0.00 -2.00 -1.54 119.26 118.18 1jsm h ALA 185 Ca 0.46 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1jsm h ALA 185 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jsm h ALA 185 CO -0.22 0.65 -0.55 1.49 0.00 0.00 0.00 179.25 180.62 1jsm h GLU 186 N 1.18 0.58 -0.47 0.00 4.81 -1.55 -2.31 114.58 116.83 1jsm h GLU 186 Ca 0.28 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1jsm h GLU 186 Cb 0.14 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 1jsm h GLU 186 CO -0.03 0.98 0.10 0.37 -0.73 0.00 0.00 179.01 179.69 1jsm h GLN 187 N 0.45 0.23 -0.28 1.92 5.75 -0.68 -2.13 115.11 120.37 1jsm h GLN 187 Ca 0.01 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1jsm h GLN 187 Cb 1.10 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1jsm h GLN 187 CO 0.10 0.15 0.06 1.15 -2.65 0.00 0.00 178.83 177.64 1jsm h THR 188 N 0.23 1.22 -0.67 2.39 2.02 -1.20 -1.23 112.91 115.67 1jsm h THR 188 Ca 0.23 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1jsm h THR 188 Cb 0.30 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1jsm h THR 188 CO -0.30 0.24 0.44 0.50 0.37 0.00 0.00 175.52 176.77 1jsm h LYS 189 N 0.28 0.88 0.12 6.66 3.64 -1.02 0.11 116.57 127.23 1jsm h LYS 189 Ca 0.09 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 59.05 1jsm h LYS 189 Cb 0.31 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1jsm h LYS 189 CO 0.00 0.58 -2.02 1.28 -2.27 0.00 0.00 179.45 177.03 1jsm n LEU 190 N -4.43 2.66 -0.00 5.20 4.77 -0.84 -4.70 117.00 119.65 1jsm n LEU 190 Ca 0.07 0.19 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1jsm n LEU 190 Cb 0.04 -1.11 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1jsm n LEU 190 CO 0.36 0.86 -0.01 -1.22 -1.33 0.00 0.00 177.39 176.05 1jsm n TYR 191 N -3.48 0.00 0.00 -1.77 4.02 -0.47 -0.72 117.16 114.74 1jsm n TYR 191 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1jsm n TYR 191 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 1jsm n TYR 191 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1jsm n GLN 192 N -1.13 0.00 -2.26 -0.72 -0.06 0.38 -4.35 117.38 109.23 1jsm n GLN 192 Ca 0.01 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.60 1jsm n GLN 192 Cb 0.09 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.24 1jsm n GLN 192 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1jsm s ASN 193 N 0.00 6.95 0.29 1.69 0.01 -1.26 -4.65 114.94 117.97 1jsm s ASN 193 Ca 0.00 2.38 0.17 0.00 -0.71 0.00 0.00 52.86 54.69 1jsm s ASN 193 Cb 0.00 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.14 1jsm s ASN 193 CO 0.00 -0.47 1.42 1.55 -1.51 0.00 0.00 177.10 178.09 1jsm h PRO 194 N 5.06 0.00 -4.41 -0.60 0.13 -1.90 -3.44 132.00 126.84 1jsm h PRO 194 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1jsm h PRO 194 Cb 1.22 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.97 1jsm h PRO 194 CO 0.75 0.39 -0.79 0.99 -0.23 0.00 0.00 178.00 179.11 1jsm s THR 195 N -3.01 1.60 0.34 1.56 2.01 -1.26 -5.03 115.64 111.85 1jsm s THR 195 Ca 0.04 -1.26 0.04 0.00 0.31 0.00 0.00 61.69 60.82 1jsm s THR 195 Cb 0.07 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1jsm s THR 195 CO 0.74 -0.09 0.16 0.42 -0.69 0.00 0.00 174.62 175.16 1jsm s THR 196 N 1.36 0.42 0.15 -0.82 -4.23 -1.26 -4.98 115.64 106.28 1jsm s THR 196 Ca -0.06 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.20 1jsm s THR 196 Cb -0.19 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.24 1jsm s THR 196 CO -0.06 0.00 0.93 -0.72 -0.54 0.00 0.00 174.62 174.23 1jsm s TYR 197 N -3.45 -0.16 -0.22 3.99 -0.85 -1.26 -4.21 117.35 111.19 1jsm s TYR 197 Ca 0.33 -0.14 -0.01 0.00 -0.52 0.00 0.00 57.07 56.72 1jsm s TYR 197 Cb 0.04 0.64 0.06 0.00 0.38 0.00 0.00 41.96 43.08 1jsm s TYR 197 CO 0.18 -0.83 0.01 0.08 -1.52 0.00 0.00 175.55 173.46 1jsm s VAL 198 N -3.32 0.96 -0.07 -3.49 1.01 0.39 -3.19 120.40 112.70 1jsm s VAL 198 Ca 0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1jsm s VAL 198 Cb -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1jsm s VAL 198 CO 0.01 -0.21 0.03 -0.94 0.00 0.00 0.00 175.10 174.00 1jsm s SER 199 N 1.65 5.45 -0.03 3.32 1.04 0.10 -0.18 113.70 125.04 1jsm s SER 199 Ca -0.02 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1jsm s SER 199 Cb -0.18 -1.56 0.02 0.00 0.10 0.00 0.00 66.02 64.40 1jsm s SER 199 CO -0.09 0.35 -0.04 -0.69 0.98 0.00 0.00 173.24 173.76 1jsm s VAL 200 N -0.98 0.48 -0.01 5.02 1.01 0.14 -1.29 120.40 124.77 1jsm s VAL 200 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1jsm s VAL 200 Cb -0.12 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1jsm s VAL 200 CO 0.05 0.20 0.02 -0.83 0.00 0.00 0.00 175.10 174.54 1jsm s GLY 201 N 0.73 0.03 0.00 4.51 0.00 -0.25 -0.91 107.32 111.43 1jsm s GLY 201 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1jsm s GLY 201 CO -0.00 0.29 0.00 -1.30 0.00 0.00 0.00 173.10 172.09 1jsm n THR 202 N 3.50 0.00 0.24 0.90 -2.24 -0.38 -0.55 114.28 115.75 1jsm n THR 202 Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1jsm n THR 202 Cb 0.56 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.38 1jsm n THR 202 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jsm h SER 203 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.30 113.55 111.70 1jsm h SER 203 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1jsm h SER 203 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jsm h SER 203 CO 0.00 0.18 -1.13 0.35 -1.14 0.00 0.00 176.83 175.09 1jsm n THR 204 N -3.92 0.02 -3.65 -2.27 -2.24 -1.26 -5.02 114.28 95.94 1jsm n THR 204 Ca -0.02 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1jsm n THR 204 Cb 0.27 0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 1jsm n THR 204 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jsm s LEU 205 N -3.31 4.30 -0.12 3.22 2.96 -1.24 -5.07 118.68 119.42 1jsm s LEU 205 Ca -0.01 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1jsm s LEU 205 Cb 0.02 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.47 1jsm s LEU 205 CO 0.11 0.22 0.02 0.21 -1.32 0.00 0.00 176.35 175.59 1jsm s ASN 206 N -0.10 2.10 -0.11 3.68 2.47 -1.26 -1.25 114.94 120.47 1jsm s ASN 206 Ca 0.15 -0.38 -0.18 0.00 0.42 0.00 0.00 52.86 52.87 1jsm s ASN 206 Cb -0.13 -0.47 0.04 0.00 -1.45 0.00 0.00 41.25 39.24 1jsm s ASN 206 CO 0.04 -0.25 0.45 -1.58 -3.72 0.00 0.00 177.10 172.05 1jsm s GLN 207 N 1.95 0.66 -0.11 0.43 0.74 -0.09 -5.01 119.66 118.24 1jsm s GLN 207 Ca 0.03 0.34 -0.04 0.00 0.05 0.00 0.00 55.36 55.74 1jsm s GLN 207 Cb -0.14 0.31 0.05 0.00 1.10 0.00 0.00 33.01 34.33 1jsm s GLN 207 CO -0.06 -0.14 0.11 0.50 -0.55 0.00 0.00 175.29 175.14 1jsm s ARG 208 N -0.44 0.02 -0.07 1.67 3.52 -1.26 0.27 118.95 122.65 1jsm s ARG 208 Ca -0.06 0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1jsm s ARG 208 Cb -0.03 -1.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.32 1jsm s ARG 208 CO 0.03 -0.48 -0.02 -1.12 -0.81 0.00 0.00 175.30 172.90 1jsm s SER 209 N 2.20 5.01 -0.01 -2.12 0.01 0.75 -4.93 113.70 114.60 1jsm s SER 209 Ca 0.04 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.44 1jsm s SER 209 Cb -0.14 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1jsm s SER 209 CO -0.07 0.36 -0.25 0.54 0.41 0.00 0.00 173.24 174.23 1jsm s VAL 210 N -0.88 2.14 0.17 3.43 0.11 -1.26 -0.46 120.40 123.64 1jsm s VAL 210 Ca 0.14 -1.12 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1jsm s VAL 210 Cb -0.11 -1.76 -0.08 0.00 -1.53 0.00 0.00 36.38 32.90 1jsm s VAL 210 CO 0.03 0.55 1.32 -2.84 -3.33 0.00 0.00 175.10 170.83 1jsm s PRO 211 N -0.71 4.38 -0.99 1.54 0.02 -1.26 -4.95 135.00 133.02 1jsm s PRO 211 Ca 0.10 2.04 -0.12 0.00 0.02 0.00 0.00 61.00 63.05 1jsm s PRO 211 Cb -0.10 -3.21 0.25 0.00 0.02 0.00 0.00 34.50 31.45 1jsm s PRO 211 CO -0.00 -0.29 0.98 -1.21 -0.33 0.00 0.00 177.00 176.15 1jsm s GLU 212 N 0.20 3.93 -0.47 5.54 2.02 -1.26 -5.02 118.70 123.65 1jsm s GLU 212 Ca 0.58 -2.84 -0.27 0.00 0.02 0.00 0.00 54.97 52.46 1jsm s GLU 212 Cb -0.36 -4.53 -0.02 0.00 0.10 0.00 0.00 34.13 29.31 1jsm s GLU 212 CO 0.36 -1.30 1.87 0.42 0.02 0.00 0.00 175.26 176.63 1jsm s ILE 213 N -0.44 3.39 0.24 -1.63 1.01 -1.26 -4.60 121.20 117.91 1jsm s ILE 213 Ca 0.26 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 1jsm s ILE 213 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1jsm s ILE 213 CO -0.08 -0.60 0.38 0.00 0.00 0.00 0.00 174.94 174.63 1jsm s ALA 214 N 8.28 0.25 -0.26 9.38 0.00 -0.57 -4.74 121.76 134.11 1jsm s ALA 214 Ca 0.75 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1jsm s ALA 214 Cb -0.18 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1jsm s ALA 214 CO 0.27 -0.77 0.00 -0.08 0.00 0.00 0.00 175.76 175.18 1jsm s THR 215 N -3.99 3.51 0.36 0.00 -1.32 -1.07 -3.55 115.64 109.58 1jsm s THR 215 Ca 0.28 -0.67 0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1jsm s THR 215 Cb 0.02 -2.72 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 1jsm s THR 215 CO 0.11 0.24 0.05 0.00 -2.21 0.00 0.00 174.62 172.81 1jsm s ARG 216 N 1.46 1.77 0.52 7.08 1.70 -1.21 -5.13 118.95 125.13 1jsm s ARG 216 Ca 0.03 -2.00 -0.22 0.00 -0.47 0.00 0.00 55.73 53.07 1jsm s ARG 216 Cb -0.16 -1.03 -0.07 0.00 -0.57 0.00 0.00 34.95 33.13 1jsm s ARG 216 CO -0.01 -0.20 1.16 -2.30 -1.08 0.00 0.00 175.30 172.87 1jsm n PRO 217 N -0.79 1.42 -2.39 3.89 -0.02 -1.26 -4.54 135.00 131.31 1jsm n PRO 217 Ca -0.04 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1jsm n PRO 217 Cb 0.67 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1jsm n PRO 217 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jsm s LYS 218 N -2.57 4.49 -0.08 -0.52 1.02 -1.26 -4.56 119.74 116.27 1jsm s LYS 218 Ca 0.69 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.54 1jsm s LYS 218 Cb -0.46 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1jsm s LYS 218 CO 0.51 -0.09 -0.06 0.08 -0.92 0.00 0.00 175.35 174.88 1jsm s VAL 219 N 0.01 0.77 -1.54 3.17 1.01 -0.53 -4.68 120.40 118.61 1jsm s VAL 219 Ca 0.53 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1jsm s VAL 219 Cb -0.32 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.35 1jsm s VAL 219 CO 0.36 0.30 0.95 0.59 0.00 0.00 0.00 175.10 177.30 1jsm n ASN 220 N 4.57 -4.43 0.00 3.32 3.02 -1.26 -1.33 115.26 119.16 1jsm n ASN 220 Ca -0.16 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1jsm n ASN 220 Cb 0.50 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1jsm n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jsm n GLY 221 N -1.66 0.50 3.53 7.41 0.00 -1.26 -4.34 105.19 109.36 1jsm n GLY 221 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1jsm n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jsm s GLN 222 N -0.54 3.12 0.00 1.61 -1.52 -0.44 -4.96 119.66 116.94 1jsm s GLN 222 Ca 0.00 -0.56 0.20 0.00 -1.95 0.00 0.00 55.36 53.05 1jsm s GLN 222 Cb 0.00 -2.69 0.24 0.00 -0.22 0.00 0.00 33.01 30.34 1jsm s GLN 222 CO 0.00 0.47 1.21 0.43 -0.25 0.00 0.00 175.29 177.15 1jsm n SER 223 N 2.81 2.90 -4.98 5.90 7.64 -1.26 -1.46 113.62 125.18 1jsm n SER 223 Ca -0.18 -1.88 -0.19 0.00 1.01 0.00 0.00 58.87 57.63 1jsm n SER 223 Cb 0.53 -0.09 0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1jsm n SER 223 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jsm s GLY 224 N -1.56 1.82 0.04 0.23 0.00 -1.26 -3.35 107.32 103.24 1jsm s GLY 224 Ca 0.28 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.10 1jsm s GLY 224 CO 0.26 -1.49 0.10 0.50 0.00 0.00 0.00 173.10 172.48 1jsm s ARG 225 N -4.61 0.62 0.01 2.90 1.81 -0.78 -4.71 118.95 114.18 1jsm s ARG 225 Ca 0.59 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.85 1jsm s ARG 225 Cb -0.08 0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 1jsm s ARG 225 CO 0.37 -0.16 -0.13 -1.64 -0.68 0.00 0.00 175.30 173.06 1jsm s MET 226 N -2.84 2.35 -0.15 3.54 -1.94 0.08 -0.62 119.30 119.72 1jsm s MET 226 Ca -0.03 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.14 1jsm s MET 226 Cb 0.00 -2.35 0.02 0.00 2.01 0.00 0.00 34.83 34.51 1jsm s MET 226 CO -0.06 0.58 -0.16 -2.00 -0.01 0.00 0.00 175.02 173.37 1jsm s GLU 227 N -1.26 2.52 0.09 2.03 2.12 -0.11 -1.05 118.70 123.04 1jsm s GLU 227 Ca 0.15 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1jsm s GLU 227 Cb -0.11 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 1jsm s GLU 227 CO 0.05 -0.19 0.11 -0.06 -0.54 0.00 0.00 175.26 174.63 1jsm s PHE 228 N 1.32 3.24 0.25 5.30 0.40 0.47 -1.10 117.98 127.87 1jsm s PHE 228 Ca 0.03 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1jsm s PHE 228 Cb -0.13 -1.63 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1jsm s PHE 228 CO -0.09 0.53 0.04 -0.06 0.70 0.00 0.00 175.22 176.34 1jsm s PHE 229 N -1.47 1.61 0.08 0.36 0.40 0.14 -0.94 117.98 118.15 1jsm s PHE 229 Ca 0.31 -1.02 -0.21 0.00 -0.60 0.00 0.00 56.93 55.41 1jsm s PHE 229 Cb -0.12 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.50 1jsm s PHE 229 CO 0.23 -0.14 0.50 1.67 0.70 0.00 0.00 175.22 178.19 1jsm s TRP 230 N -3.52 -0.38 0.19 0.36 1.48 -1.26 -2.20 118.94 113.61 1jsm s TRP 230 Ca 0.33 0.32 -0.14 0.00 -1.06 0.00 0.00 56.10 55.55 1jsm s TRP 230 Cb 0.07 0.34 0.01 0.00 -1.16 0.00 0.00 33.47 32.73 1jsm s TRP 230 CO 0.11 -0.67 0.43 -0.08 -4.06 0.00 0.00 176.95 172.68 1jsm s THR 231 N -2.87 0.04 -0.24 0.66 -1.32 -0.60 -5.00 115.64 106.31 1jsm s THR 231 Ca -0.03 -1.08 -0.06 0.00 -1.21 0.00 0.00 61.69 59.32 1jsm s THR 231 Cb -0.00 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 1jsm s THR 231 CO -0.05 -0.18 0.02 -0.63 -2.21 0.00 0.00 174.62 171.57 1jsm s ILE 232 N -3.92 3.86 -0.29 5.08 1.01 -1.26 -1.44 121.20 124.23 1jsm s ILE 232 Ca 0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1jsm s ILE 232 Cb 0.01 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1jsm s ILE 232 CO -0.01 0.37 0.32 -0.22 0.00 0.00 0.00 174.94 175.41 1jsm s LEU 233 N 1.55 4.15 0.65 2.97 2.96 0.75 -4.90 118.68 126.81 1jsm s LEU 233 Ca 0.06 0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 1jsm s LEU 233 Cb -0.15 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 1jsm s LEU 233 CO 0.00 -0.19 1.09 -0.54 -1.32 0.00 0.00 176.35 175.39 1jsm s LYS 234 N 1.98 2.91 0.33 1.98 -0.14 -1.26 -0.89 119.74 124.64 1jsm s LYS 234 Ca 0.12 1.27 -0.29 0.00 -1.36 0.00 0.00 55.97 55.71 1jsm s LYS 234 Cb -0.16 -1.97 -0.12 0.00 -1.68 0.00 0.00 37.83 33.90 1jsm s LYS 234 CO 0.11 -1.15 1.40 -2.30 -0.76 0.00 0.00 175.35 172.65 1jsm n PRO 235 N -2.48 2.33 -0.64 -1.68 -0.02 -1.26 -1.57 135.00 129.68 1jsm n PRO 235 Ca 0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jsm n PRO 235 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1jsm n PRO 235 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jsm n ASN 236 N 1.08 0.00 -4.96 2.55 3.02 0.10 -4.99 115.26 112.06 1jsm n ASN 236 Ca 0.05 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.38 1jsm n ASN 236 Cb 0.36 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 1jsm n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jsm s ASP 237 N -3.03 5.84 0.15 6.41 2.15 -0.61 -4.80 116.67 122.78 1jsm s ASP 237 Ca 0.00 0.21 0.09 0.00 0.43 0.00 0.00 52.55 53.28 1jsm s ASP 237 Cb 0.00 -1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 41.11 1jsm s ASP 237 CO 0.00 -0.67 -0.21 0.00 -0.17 0.00 0.00 175.17 174.12 1jsm s ALA 238 N -2.50 2.09 -0.06 3.66 0.00 -1.26 -0.71 121.76 122.98 1jsm s ALA 238 Ca 0.48 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1jsm s ALA 238 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1jsm s ALA 238 CO 0.37 0.33 -0.24 -1.50 0.00 0.00 0.00 175.76 174.72 1jsm s ILE 239 N -1.69 2.17 -0.13 0.00 2.07 -0.20 -4.24 121.20 119.18 1jsm s ILE 239 Ca 0.14 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 1jsm s ILE 239 Cb -0.08 -1.79 0.01 0.00 0.13 0.00 0.00 42.46 40.73 1jsm s ILE 239 CO 0.07 0.57 -0.21 0.20 -1.91 0.00 0.00 174.94 173.65 1jsm s ASN 240 N -0.20 3.19 -0.10 4.50 0.01 0.29 -1.04 114.94 121.58 1jsm s ASN 240 Ca -0.02 -0.58 0.02 0.00 -0.71 0.00 0.00 52.86 51.57 1jsm s ASN 240 Cb -0.13 -1.46 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 1jsm s ASN 240 CO 0.03 0.10 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.20 1jsm s PHE 241 N 0.73 2.71 -0.02 2.20 0.40 0.92 -1.09 117.98 123.84 1jsm s PHE 241 Ca -0.09 -0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1jsm s PHE 241 Cb -0.16 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1jsm s PHE 241 CO 0.00 -0.11 0.04 -2.00 0.70 0.00 0.00 175.22 173.85 1jsm s GLU 242 N -0.03 -0.01 -0.21 0.44 2.12 -0.41 -1.01 118.70 119.60 1jsm s GLU 242 Ca -0.04 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.17 1jsm s GLU 242 Cb -0.14 -0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.17 1jsm s GLU 242 CO 0.04 -0.11 0.78 0.45 -0.54 0.00 0.00 175.26 175.88 1jsm s SER 243 N 0.73 -0.65 -0.20 -1.70 0.15 -0.97 0.01 113.70 111.06 1jsm s SER 243 Ca -0.06 1.11 0.15 0.00 0.70 0.00 0.00 55.95 57.86 1jsm s SER 243 Cb -0.08 1.08 0.51 0.00 -1.71 0.00 0.00 66.02 65.81 1jsm s SER 243 CO -0.02 -0.33 1.42 -0.46 1.20 0.00 0.00 173.24 175.05 1jsm n ASN 244 N 2.06 3.52 0.00 5.45 6.94 -1.19 0.53 115.26 132.57 1jsm n ASN 244 Ca -0.15 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.24 1jsm n ASN 244 Cb 0.56 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jsm n ASN 244 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsm n GLY 245 N -0.70 3.62 2.66 4.83 0.00 -1.26 -4.69 105.19 109.65 1jsm n GLY 245 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jsm n GLY 245 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsm n ASN 246 N 0.00 -3.20 -4.70 1.61 4.13 -1.26 -4.18 115.26 107.66 1jsm n ASN 246 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1jsm n ASN 246 Cb 0.00 -1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.65 1jsm n ASN 246 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1jsm s PHE 247 N -1.88 3.30 -0.50 3.10 5.36 -1.26 -0.73 117.98 125.37 1jsm s PHE 247 Ca 0.00 1.26 -0.08 0.00 -0.96 0.00 0.00 56.93 57.15 1jsm s PHE 247 Cb 0.00 -3.42 0.13 0.00 -0.34 0.00 0.00 43.02 39.39 1jsm s PHE 247 CO 0.00 -1.29 0.36 0.42 -1.46 0.00 0.00 175.22 173.25 1jsm s ILE 248 N 1.69 4.07 0.42 3.12 -1.09 0.16 -3.37 121.20 126.20 1jsm s ILE 248 Ca 0.57 -2.01 -0.22 0.00 -2.23 0.00 0.00 60.65 56.76 1jsm s ILE 248 Cb -0.27 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1jsm s ILE 248 CO 0.25 -0.79 0.96 0.00 -1.23 0.00 0.00 174.94 174.14 1jsm s ALA 249 N 1.09 3.04 0.52 9.38 0.00 -0.57 -0.99 121.76 134.22 1jsm s ALA 249 Ca 0.08 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 1jsm s ALA 249 Cb -0.24 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1jsm s ALA 249 CO -0.02 0.07 1.20 -2.14 0.00 0.00 0.00 175.76 174.87 1jsm s PRO 250 N -3.03 3.41 0.11 0.00 0.02 -1.26 0.04 135.00 134.29 1jsm s PRO 250 Ca 0.61 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1jsm s PRO 250 Cb -0.11 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1jsm s PRO 250 CO 0.16 -0.85 0.00 -1.91 -0.33 0.00 0.00 177.00 174.06 1jsm n GLU 251 N -0.96 0.00 -4.29 5.54 2.13 -0.54 -4.58 120.64 117.93 1jsm n GLU 251 Ca 0.10 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.60 1jsm n GLU 251 Cb 0.48 -0.42 -0.09 0.00 0.27 0.00 0.00 31.44 31.68 1jsm n GLU 251 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1jsm s TYR 252 N -2.00 3.03 0.43 4.31 1.51 -0.76 -1.01 117.35 122.87 1jsm s TYR 252 Ca 0.00 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1jsm s TYR 252 Cb 0.00 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1jsm s TYR 252 CO 0.00 0.45 0.15 0.00 -1.11 0.00 0.00 175.55 175.04 1jsm s ALA 253 N -1.10 3.05 -0.08 3.71 0.00 0.34 -4.72 121.76 122.95 1jsm s ALA 253 Ca 0.20 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1jsm s ALA 253 Cb -0.11 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1jsm s ALA 253 CO 0.11 -0.35 -0.11 0.71 0.00 0.00 0.00 175.76 176.12 1jsm s TYR 254 N -3.17 1.48 0.12 0.00 1.51 -0.67 -0.65 117.35 115.97 1jsm s TYR 254 Ca 0.22 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1jsm s TYR 254 Cb 0.01 -1.12 -0.06 0.00 -0.11 0.00 0.00 41.96 40.68 1jsm s TYR 254 CO 0.15 -0.35 1.05 0.15 -1.11 0.00 0.00 175.55 175.44 1jsm s LYS 255 N 0.96 4.61 -0.23 -0.62 1.02 0.88 -0.43 119.74 125.93 1jsm s LYS 255 Ca -0.09 1.60 -0.12 0.00 0.02 0.00 0.00 55.97 57.38 1jsm s LYS 255 Cb -0.15 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 1jsm s LYS 255 CO 0.00 0.07 0.24 0.42 -0.92 0.00 0.00 175.35 175.16 1jsm s ILE 256 N 0.12 5.31 -0.40 2.17 1.01 -0.31 -1.46 121.20 127.65 1jsm s ILE 256 Ca 0.50 0.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.46 1jsm s ILE 256 Cb -0.26 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.72 1jsm s ILE 256 CO 0.32 0.32 0.19 -0.69 0.00 0.00 0.00 174.94 175.08 1jsm s VAL 257 N 1.12 3.52 0.00 2.92 1.01 -0.12 -4.34 120.40 124.51 1jsm s VAL 257 Ca 0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 1jsm s VAL 257 Cb -0.14 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 1jsm s VAL 257 CO 0.05 -0.55 2.71 0.29 0.00 0.00 0.00 175.10 177.60 1jsm n LYS 258 N 4.70 1.44 0.00 2.72 5.02 -1.26 -2.16 118.16 128.61 1jsm n LYS 258 Ca -0.06 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 1jsm n LYS 258 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1jsm n LYS 258 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jsm n LYS 259 N 1.98 0.00 -0.72 1.97 4.76 -1.26 -4.80 118.16 120.09 1jsm n LYS 259 Ca 0.20 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1jsm n LYS 259 Cb 0.68 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1jsm n LYS 259 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jsm n GLY 260 N -1.04 0.00 0.00 0.72 0.00 -1.25 -4.90 105.19 98.72 1jsm n GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jsm n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jsm n GLY 261 N 0.55 1.12 0.00 -0.02 0.00 -1.26 -4.96 105.19 100.62 1jsm n GLY 261 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1jsm n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jsm n SER 262 N 0.00 0.00 -3.63 1.61 2.88 -1.07 -4.86 113.62 108.55 1jsm n SER 262 Ca 0.00 -0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 57.21 1jsm n SER 262 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1jsm n SER 262 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jsm s ALA 263 N -1.72 -2.10 -0.34 -1.46 0.00 -1.24 -4.79 121.76 110.11 1jsm s ALA 263 Ca 0.00 1.77 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1jsm s ALA 263 Cb 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1jsm s ALA 263 CO 0.00 -0.21 0.14 0.42 0.00 0.00 0.00 175.76 176.11 1jsm s ILE 264 N -0.60 4.16 -0.12 0.00 1.01 -1.26 -0.98 121.20 123.41 1jsm s ILE 264 Ca 0.06 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1jsm s ILE 264 Cb -0.02 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1jsm s ILE 264 CO -0.08 -0.15 0.13 -0.32 0.00 0.00 0.00 174.94 174.51 1jsm s MET 265 N 1.49 3.43 -0.25 2.79 -2.45 0.71 -4.98 119.30 120.03 1jsm s MET 265 Ca 0.01 -0.16 -0.13 0.00 -1.25 0.00 0.00 55.69 54.16 1jsm s MET 265 Cb -0.19 -3.16 -0.04 0.00 1.25 0.00 0.00 34.83 32.68 1jsm s MET 265 CO 0.04 0.75 0.26 0.15 1.05 0.00 0.00 175.02 177.28 1jsm s LYS 266 N -0.95 4.04 -0.06 4.11 -0.14 -1.26 -1.14 119.74 124.33 1jsm s LYS 266 Ca 0.14 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 1jsm s LYS 266 Cb -0.12 -3.60 0.09 0.00 -1.68 0.00 0.00 37.83 32.52 1jsm s LYS 266 CO 0.04 -0.11 0.81 0.45 -0.76 0.00 0.00 175.35 175.78 1jsm s SER 267 N 1.41 -0.51 0.00 2.83 0.15 -0.68 -4.85 113.70 112.05 1jsm s SER 267 Ca 0.11 0.43 0.23 0.00 0.70 0.00 0.00 55.95 57.43 1jsm s SER 267 Cb -0.15 0.44 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 1jsm s SER 267 CO 0.08 -0.55 1.18 0.61 1.20 0.00 0.00 173.24 175.76 1jsm n GLY 268 N 0.56 -0.23 3.78 9.45 0.00 -1.26 -3.81 105.19 113.68 1jsm n GLY 268 Ca -0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1jsm n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jsm s LEU 269 N -2.55 2.75 0.55 0.99 1.43 -1.26 -5.08 118.68 115.51 1jsm s LEU 269 Ca 0.18 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1jsm s LEU 269 Cb 0.18 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 42.25 1jsm s LEU 269 CO 0.59 -1.99 0.22 -1.83 0.23 0.00 0.00 176.35 173.57 1jsm s GLU 270 N -5.03 2.23 0.24 1.70 4.04 -1.26 -4.98 118.70 115.64 1jsm s GLU 270 Ca 0.61 -2.26 -0.30 0.00 0.04 0.00 0.00 54.97 53.05 1jsm s GLU 270 Cb -0.16 -1.81 -0.11 0.00 0.02 0.00 0.00 34.13 32.08 1jsm s GLU 270 CO 0.55 -0.56 1.53 -0.47 -1.84 0.00 0.00 175.26 174.47 1jsm s TYR 271 N -2.86 2.95 -1.56 4.83 5.04 -1.26 -4.22 117.35 120.26 1jsm s TYR 271 Ca 0.17 0.82 0.20 0.00 -2.44 0.00 0.00 57.07 55.81 1jsm s TYR 271 Cb -0.01 -3.93 0.61 0.00 0.35 0.00 0.00 41.96 38.97 1jsm s TYR 271 CO 0.11 -3.21 1.51 0.41 -1.34 0.00 0.00 175.55 173.03 1jsm n GLY 272 N 2.68 2.65 3.92 8.97 0.00 0.03 -4.93 105.19 118.51 1jsm n GLY 272 Ca 0.09 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1jsm n GLY 272 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsm n ASN 273 N 1.30 -2.19 -3.72 1.61 4.13 -1.26 -4.94 115.26 110.18 1jsm n ASN 273 Ca 0.23 -1.08 -0.14 0.00 1.68 0.00 0.00 54.58 55.27 1jsm n ASN 273 Cb 0.66 -2.82 -0.07 0.00 -1.54 0.00 0.00 39.78 36.01 1jsm n ASN 273 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jsm s ASN 275 N -3.20 0.71 0.26 0.00 2.47 -1.26 -0.97 114.94 112.95 1jsm s ASN 275 Ca 0.34 -0.11 -0.05 0.00 0.42 0.00 0.00 52.86 53.46 1jsm s ASN 275 Cb 0.02 -0.08 -0.02 0.00 -1.45 0.00 0.00 41.25 39.73 1jsm s ASN 275 CO 0.17 0.07 0.35 0.28 -3.72 0.00 0.00 177.10 174.25 1jsm s THR 276 N -0.14 0.00 -0.48 -5.21 -1.32 -0.26 -4.88 115.64 103.35 1jsm s THR 276 Ca 0.02 -1.69 0.07 0.00 -1.21 0.00 0.00 61.69 58.88 1jsm s THR 276 Cb -0.02 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1jsm s THR 276 CO -0.00 0.00 0.40 2.29 -2.21 0.00 0.00 174.62 175.10 1jsm n LYS 277 N -0.41 3.56 -3.63 7.08 0.00 -1.26 -1.53 118.16 121.97 1jsm n LYS 277 Ca 0.01 -0.25 -0.20 0.00 -0.00 0.00 0.00 58.31 57.87 1jsm n LYS 277 Cb 0.63 -0.90 -0.16 0.00 -0.00 0.00 0.00 35.03 34.60 1jsm n LYS 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jsm s GLN 279 N 2.23 2.61 0.27 0.00 2.00 -0.24 -0.96 119.66 125.57 1jsm s GLN 279 Ca 0.04 -0.75 0.10 0.00 -2.00 0.00 0.00 55.36 52.75 1jsm s GLN 279 Cb -0.13 -2.35 -0.05 0.00 0.80 0.00 0.00 33.01 31.27 1jsm s GLN 279 CO -0.07 0.52 -0.16 0.95 -0.50 0.00 0.00 175.29 176.03 1jsm s THR 280 N -0.46 2.17 -0.48 -0.34 -4.23 -0.58 -1.19 115.64 110.52 1jsm s THR 280 Ca 0.06 -2.30 0.16 0.00 -1.18 0.00 0.00 61.69 58.42 1jsm s THR 280 Cb -0.12 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.60 1jsm s THR 280 CO 0.02 -0.42 1.49 -2.65 -0.54 0.00 0.00 174.62 172.51 1jsm n PRO 281 N -0.57 0.10 -0.00 3.99 -0.02 -1.26 -2.14 135.00 135.10 1jsm n PRO 281 Ca -0.06 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1jsm n PRO 281 Cb 0.61 -1.81 -0.13 0.00 -0.02 0.00 0.00 33.50 32.15 1jsm n PRO 281 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1jsm n MET 282 N -2.02 0.78 0.00 -0.52 2.81 -1.26 -4.81 117.12 112.10 1jsm n MET 282 Ca -0.00 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1jsm n MET 282 Cb 0.05 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1jsm n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jsm n GLY 283 N 1.44 2.55 3.92 3.03 0.00 -0.91 -3.99 105.19 111.22 1jsm n GLY 283 Ca -0.01 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 1jsm n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsm s ALA 284 N -2.00 3.48 -0.05 4.61 0.00 -0.88 -1.53 121.76 125.39 1jsm s ALA 284 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.40 1jsm s ALA 284 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1jsm s ALA 284 CO 0.00 -0.26 -0.22 0.42 0.00 0.00 0.00 175.76 175.70 1jsm s ILE 285 N -2.63 1.83 -0.36 0.00 1.01 -0.13 -1.32 121.20 119.60 1jsm s ILE 285 Ca 0.45 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1jsm s ILE 285 Cb -0.10 -1.55 0.12 0.00 0.01 0.00 0.00 42.46 40.95 1jsm s ILE 285 CO 0.42 0.51 0.18 0.21 0.00 0.00 0.00 174.94 176.27 1jsm s ASN 286 N -0.17 3.52 0.16 3.58 2.47 -1.26 -3.99 114.94 119.26 1jsm s ASN 286 Ca -0.01 -2.06 -0.20 0.00 0.42 0.00 0.00 52.86 51.01 1jsm s ASN 286 Cb -0.12 -0.70 0.05 0.00 -1.45 0.00 0.00 41.25 39.02 1jsm s ASN 286 CO 0.02 -0.34 0.53 -0.94 -3.72 0.00 0.00 177.10 172.65 1jsm s SER 287 N 1.13 -0.40 0.03 -4.21 1.04 -1.26 -5.02 113.70 105.01 1jsm s SER 287 Ca 0.15 -0.21 0.23 0.00 0.48 0.00 0.00 55.95 56.59 1jsm s SER 287 Cb -0.21 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1jsm s SER 287 CO -0.11 -0.96 1.00 -1.20 0.98 0.00 0.00 173.24 172.95 1jsm n SER 288 N -0.33 0.65 -4.65 7.02 7.64 -1.26 -4.94 113.62 117.74 1jsm n SER 288 Ca -0.15 -0.39 -0.40 0.00 1.01 0.00 0.00 58.87 58.93 1jsm n SER 288 Cb 0.64 0.87 0.02 0.00 -1.01 0.00 0.00 64.21 64.74 1jsm n SER 288 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1jsm n MET 289 N -1.82 1.50 0.21 1.43 2.81 -1.26 -4.92 117.12 115.07 1jsm n MET 289 Ca 0.02 0.54 0.10 0.00 -1.81 0.00 0.00 57.70 56.55 1jsm n MET 289 Cb 0.41 -2.23 0.22 0.00 -0.71 0.00 0.00 33.22 30.92 1jsm n MET 289 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1jsm h PRO 290 N 1.53 0.00 -5.54 0.03 0.13 -1.93 -3.43 132.00 122.79 1jsm h PRO 290 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 1jsm h PRO 290 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1jsm h PRO 290 CO 0.57 0.15 -0.70 -0.06 -0.23 0.00 0.00 178.00 177.73 1jsm s PHE 291 N -3.25 1.85 0.09 1.56 0.40 -0.99 -0.27 117.98 117.38 1jsm s PHE 291 Ca 0.05 -0.64 -0.14 0.00 -0.60 0.00 0.00 56.93 55.59 1jsm s PHE 291 Cb 0.07 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.65 1jsm s PHE 291 CO 0.67 0.32 0.34 -3.38 0.70 0.00 0.00 175.22 173.87 1jsm s HIS 292 N -2.99 -0.12 -0.11 0.36 -3.43 -0.42 -0.58 115.29 108.00 1jsm s HIS 292 Ca 0.27 -0.15 0.18 0.00 -0.80 0.00 0.00 55.06 54.56 1jsm s HIS 292 Cb 0.02 0.16 0.42 0.00 -1.43 0.00 0.00 32.58 31.74 1jsm s HIS 292 CO 0.10 -0.61 1.20 0.27 -2.00 0.00 0.00 174.74 173.69 1jsm n ASN 293 N 0.07 1.38 0.25 7.38 2.04 -1.07 -1.70 115.26 123.60 1jsm n ASN 293 Ca -0.17 -3.01 -0.11 0.00 -0.44 0.00 0.00 54.58 50.85 1jsm n ASN 293 Cb 0.62 -0.42 -0.05 0.00 -2.53 0.00 0.00 39.78 37.40 1jsm n ASN 293 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1jsm h ILE 294 N 3.79 0.00 -1.72 1.53 1.08 -1.86 -3.49 117.51 116.84 1jsm h ILE 294 Ca -0.11 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1jsm h ILE 294 Cb 1.42 0.00 -0.23 0.00 -3.07 0.00 0.00 36.82 34.94 1jsm h ILE 294 CO 0.05 0.00 0.38 -2.28 -0.69 0.00 0.00 178.15 175.61 1jsm s HIS 295 N -3.80 -0.53 0.00 1.37 2.46 -1.26 -5.04 115.29 108.50 1jsm s HIS 295 Ca -0.10 1.12 0.25 0.00 0.47 0.00 0.00 55.06 56.80 1jsm s HIS 295 Cb 0.01 0.38 0.83 0.00 -0.13 0.00 0.00 32.58 33.67 1jsm s HIS 295 CO 0.30 -0.36 1.78 -1.00 -2.47 0.00 0.00 174.74 173.00 1jsm h PRO 296 N 3.62 0.00 -4.23 2.88 0.13 -1.97 -3.40 132.00 129.03 1jsm h PRO 296 Ca -0.25 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.12 1jsm h PRO 296 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 1jsm h PRO 296 CO 0.21 0.17 0.30 -0.51 -0.23 0.00 0.00 178.00 177.94 1jsm s LEU 297 N -6.52 6.19 0.32 1.56 1.02 -1.26 -5.01 118.68 114.97 1jsm s LEU 297 Ca 0.02 -2.41 0.10 0.00 0.02 0.00 0.00 54.13 51.86 1jsm s LEU 297 Cb 0.09 -2.27 -0.06 0.00 0.02 0.00 0.00 46.19 43.97 1jsm s LEU 297 CO 0.63 -0.75 -0.07 0.42 0.02 0.00 0.00 176.35 176.60 1jsm s THR 298 N 1.06 2.55 0.02 5.49 -4.23 -1.26 -4.13 115.64 115.14 1jsm s THR 298 Ca 0.21 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1jsm s THR 298 Cb -0.10 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1jsm s THR 298 CO -0.08 -0.26 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.15 1jsm s ILE 299 N -2.53 0.57 0.00 2.99 2.07 -0.33 -4.99 121.20 118.98 1jsm s ILE 299 Ca 0.33 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1jsm s ILE 299 Cb -0.01 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1jsm s ILE 299 CO 0.18 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1jsm n GLY 300 N 2.17 -1.56 3.51 1.50 0.00 -1.26 -1.08 105.19 108.46 1jsm n GLY 300 Ca -0.18 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 1jsm n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jsm s GLU 301 N 0.00 3.25 0.36 1.61 2.56 -0.28 -4.93 118.70 121.27 1jsm s GLU 301 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 54.97 54.64 1jsm s GLU 301 Cb 0.00 -4.13 -0.07 0.00 2.00 0.00 0.00 34.13 31.93 1jsm s GLU 301 CO 0.00 -1.74 0.00 0.00 -0.56 0.00 0.00 175.26 172.96 1jsm s PRO 303 N -3.75 1.18 0.04 0.00 0.02 -1.26 -5.00 135.00 126.23 1jsm s PRO 303 Ca 0.35 0.09 -0.26 0.00 0.02 0.00 0.00 61.00 61.19 1jsm s PRO 303 Cb 0.08 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 1jsm s PRO 303 CO 0.16 -2.13 0.79 -1.59 -0.33 0.00 0.00 177.00 173.91 1jsm s LYS 304 N -5.49 4.52 0.14 5.54 0.00 0.63 -4.73 119.74 120.34 1jsm s LYS 304 Ca 0.65 1.11 -0.27 0.00 0.00 0.00 0.00 55.97 57.47 1jsm s LYS 304 Cb -0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 37.83 34.27 1jsm s LYS 304 CO 0.52 0.24 0.85 -0.47 0.00 0.00 0.00 175.35 176.49 1jsm s TYR 305 N 0.07 3.86 0.07 1.78 5.04 -1.26 -1.30 117.35 125.61 1jsm s TYR 305 Ca 0.40 1.69 -0.07 0.00 -2.44 0.00 0.00 57.07 56.65 1jsm s TYR 305 Cb -0.21 -2.89 -0.01 0.00 0.35 0.00 0.00 41.96 39.21 1jsm s TYR 305 CO 0.24 0.38 0.14 0.14 -1.34 0.00 0.00 175.55 175.11 1jsm s VAL 306 N -0.64 0.15 -1.89 3.14 -7.23 -0.69 -4.92 120.40 108.32 1jsm s VAL 306 Ca 0.40 -1.24 0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1jsm s VAL 306 Cb -0.23 -1.26 0.61 0.00 0.56 0.00 0.00 36.38 36.06 1jsm s VAL 306 CO 0.27 -0.69 1.96 0.29 -0.31 0.00 0.00 175.10 176.63 1jsm n LYS 307 N 0.16 0.94 -1.65 4.82 5.02 -1.26 -4.19 118.16 122.00 1jsm n LYS 307 Ca -0.16 -0.28 -0.40 0.00 -2.02 0.00 0.00 58.31 55.45 1jsm n LYS 307 Cb 0.61 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1jsm n LYS 307 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jsm n SER 308 N -0.79 1.64 0.04 4.39 7.64 -1.26 -4.90 113.62 120.39 1jsm n SER 308 Ca 0.18 1.00 0.11 0.00 1.01 0.00 0.00 58.87 61.17 1jsm n SER 308 Cb 0.24 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.93 1jsm n SER 308 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsm n GLY 309 N 1.06 -1.22 3.38 0.23 0.00 -1.26 -4.78 105.19 102.61 1jsm n GLY 309 Ca 0.10 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1jsm n GLY 309 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jsm s ARG 310 N -3.43 0.54 -0.31 1.61 3.52 -1.26 -5.10 118.95 114.52 1jsm s ARG 310 Ca -0.04 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1jsm s ARG 310 Cb 0.12 0.18 0.14 0.00 -1.56 0.00 0.00 34.95 33.83 1jsm s ARG 310 CO 0.85 -0.10 0.31 -1.17 -0.81 0.00 0.00 175.30 174.38 1jsm s LEU 311 N 0.73 -0.16 -0.10 -0.88 2.96 -1.26 -5.08 118.68 114.89 1jsm s LEU 311 Ca -0.04 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.89 1jsm s LEU 311 Cb -0.05 0.49 0.02 0.00 0.50 0.00 0.00 46.19 47.15 1jsm s LEU 311 CO -0.05 -0.36 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.81 1jsm s VAL 312 N 2.10 1.26 -0.03 1.68 1.01 -1.26 -1.85 120.40 123.31 1jsm s VAL 312 Ca 0.11 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1jsm s VAL 312 Cb -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1jsm s VAL 312 CO -0.25 0.39 0.41 -0.76 0.00 0.00 0.00 175.10 174.89 1jsm s LEU 313 N 1.11 4.42 0.23 3.92 1.43 -0.17 -4.69 118.68 124.94 1jsm s LEU 313 Ca -0.05 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 1jsm s LEU 313 Cb -0.14 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 1jsm s LEU 313 CO -0.02 0.26 1.03 0.00 0.23 0.00 0.00 176.35 177.85 1jsm s ALA 314 N -0.68 3.36 0.00 4.21 0.00 -1.26 -0.08 121.76 127.32 1jsm s ALA 314 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1jsm s ALA 314 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1jsm s ALA 314 CO 0.12 -0.03 0.00 0.25 0.00 0.00 0.00 175.76 176.10 1jsm n THR 315 N 1.65 0.00 -1.22 0.00 -2.24 -0.85 -4.84 114.28 106.79 1jsm n THR 315 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jsm n THR 315 Cb 0.46 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1jsm n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jsm n GLY 316 N 3.10 0.08 3.99 3.38 0.00 0.07 -4.94 105.19 110.88 1jsm n GLY 316 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1jsm n GLY 316 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jsm s LEU 317 N 0.00 3.01 0.24 0.99 2.34 -1.26 -4.72 118.68 119.28 1jsm s LEU 317 Ca 0.00 -0.95 -0.31 0.00 0.06 0.00 0.00 54.13 52.93 1jsm s LEU 317 Cb 0.00 -1.54 -0.11 0.00 -0.56 0.00 0.00 46.19 43.97 1jsm s LEU 317 CO 0.00 -1.25 1.62 -0.60 -1.06 0.00 0.00 176.35 175.06 1jsm s ARG 318 N -4.54 4.15 -0.61 1.48 3.52 -1.26 -0.75 118.95 120.95 1jsm s ARG 318 Ca 0.54 2.53 -0.22 0.00 -0.13 0.00 0.00 55.73 58.44 1jsm s ARG 318 Cb -0.05 -3.07 0.07 0.00 -1.56 0.00 0.00 34.95 30.34 1jsm s ARG 318 CO 0.34 -0.65 0.87 1.21 -0.81 0.00 0.00 175.30 176.26 1jsm s ASN 319 N 0.81 6.22 -0.31 -2.12 2.47 -0.17 -4.70 114.94 117.13 1jsm s ASN 319 Ca 0.68 -0.91 -0.09 0.00 0.42 0.00 0.00 52.86 52.95 1jsm s ASN 319 Cb -0.47 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 36.94 1jsm s ASN 319 CO 0.40 -1.27 0.15 -0.69 -3.72 0.00 0.00 177.10 171.96 1jsm s VAL 320 N 3.63 4.58 -0.76 -5.21 1.01 -1.26 -4.85 120.40 117.54 1jsm s VAL 320 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1jsm s VAL 320 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1jsm s VAL 320 CO 0.12 0.06 0.19 -0.81 0.00 0.00 0.00 175.10 174.66