#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jby n GLU 5 N 0.00 -0.08 0.17 1.61 1.02 -1.26 -0.28 120.64 121.83 1jby n GLU 5 Ca 0.00 1.34 0.13 0.00 -0.02 0.00 0.00 57.16 58.61 1jby n GLU 5 Cb 0.00 -2.03 0.61 0.00 -0.02 0.00 0.00 31.44 30.00 1jby n GLU 5 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1jby h GLU 6 N 0.00 0.00 0.00 3.49 9.09 -2.01 -1.57 114.58 123.58 1jby h GLU 6 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1jby h GLU 6 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1jby h GLU 6 CO -0.88 0.00 -0.33 -0.07 0.05 0.00 0.00 179.01 177.78 1jby h LEU 7 N 0.00 0.00 -3.05 3.06 3.38 -1.05 -3.33 115.31 114.32 1jby h LEU 7 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jby h LEU 7 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jby h LEU 7 CO 0.00 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.04 1jby n PHE 8 N -2.59 0.62 0.18 1.13 3.72 -0.60 -4.59 117.46 115.33 1jby n PHE 8 Ca 0.03 -0.68 0.03 0.00 -0.05 0.00 0.00 57.45 56.78 1jby n PHE 8 Cb 0.49 -0.15 0.34 0.00 -0.94 0.00 0.00 39.48 39.21 1jby n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jby h THR 9 N 1.73 1.22 -1.08 4.37 1.03 -1.64 -3.38 112.91 115.16 1jby h THR 9 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1jby h THR 9 Cb 1.03 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 1jby h THR 9 CO 0.09 0.40 0.00 0.61 -0.01 0.00 0.00 175.52 176.61 1jby n GLY 10 N -0.27 5.34 3.64 2.99 0.00 -1.26 -4.78 105.19 110.85 1jby n GLY 10 Ca -0.02 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1jby n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jby s VAL 11 N 1.77 4.83 -0.14 1.61 1.01 -1.26 -4.47 120.40 123.75 1jby s VAL 11 Ca 0.00 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1jby s VAL 11 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1jby s VAL 11 CO 0.00 -0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.22 1jby s VAL 12 N 2.86 3.37 0.28 2.92 1.01 -0.44 -4.95 120.40 125.44 1jby s VAL 12 Ca 0.34 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1jby s VAL 12 Cb -0.15 -2.45 -0.10 0.00 0.00 0.00 0.00 36.38 33.68 1jby s VAL 12 CO 0.08 0.51 1.34 -2.16 0.00 0.00 0.00 175.10 174.87 1jby s PRO 13 N 0.42 4.34 0.13 2.72 0.05 -1.26 -0.49 135.00 140.91 1jby s PRO 13 Ca -0.07 2.20 0.11 0.00 0.05 0.00 0.00 61.00 63.28 1jby s PRO 13 Cb -0.15 -3.11 -0.04 0.00 0.05 0.00 0.00 34.50 31.25 1jby s PRO 13 CO 0.04 -0.26 -0.26 0.42 0.05 0.00 0.00 177.00 176.99 1jby s ILE 14 N -0.52 2.21 -0.02 0.56 1.01 0.68 -1.21 121.20 123.90 1jby s ILE 14 Ca 0.54 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1jby s ILE 14 Cb -0.39 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1jby s ILE 14 CO 0.46 0.08 -0.01 -0.22 0.00 0.00 0.00 174.94 175.25 1jby s LEU 15 N -2.03 1.42 -0.02 2.97 2.96 -0.43 -2.19 118.68 121.35 1jby s LEU 15 Ca 0.13 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1jby s LEU 15 Cb -0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 1jby s LEU 15 CO 0.06 -0.06 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 1jby s VAL 16 N 0.70 1.15 -0.10 1.68 1.01 -0.55 -1.40 120.40 122.89 1jby s VAL 16 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1jby s VAL 16 Cb -0.10 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1jby s VAL 16 CO -0.01 0.33 0.19 -1.61 0.00 0.00 0.00 175.10 174.00 1jby s GLU 17 N -0.22 0.08 -0.02 2.72 0.41 -0.76 0.30 118.70 121.20 1jby s GLU 17 Ca 0.03 0.59 0.05 0.00 -0.41 0.00 0.00 54.97 55.23 1jby s GLU 17 Cb -0.07 -0.19 -0.01 0.00 -1.78 0.00 0.00 34.13 32.08 1jby s GLU 17 CO -0.00 -0.28 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.16 1jby s LEU 18 N 2.15 2.00 -0.09 1.80 0.20 -0.74 -0.96 118.68 123.03 1jby s LEU 18 Ca 0.01 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.55 1jby s LEU 18 Cb -0.12 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.78 1jby s LEU 18 CO -0.07 0.18 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.40 1jby s ASP 19 N -0.28 3.84 0.04 3.68 2.15 -0.69 -2.14 116.67 123.27 1jby s ASP 19 Ca 0.04 -0.32 0.01 0.00 0.43 0.00 0.00 52.55 52.71 1jby s ASP 19 Cb -0.07 -1.26 -0.03 0.00 -0.30 0.00 0.00 42.92 41.26 1jby s ASP 19 CO -0.00 0.23 -0.05 -0.83 -0.17 0.00 0.00 175.17 174.35 1jby s GLY 20 N -0.06 0.43 -0.20 2.66 0.00 0.11 -1.33 107.32 108.94 1jby s GLY 20 Ca -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 1jby s GLY 20 CO 0.04 -0.86 0.13 -0.35 0.00 0.00 0.00 173.10 172.06 1jby s ASP 21 N -1.78 2.25 -0.22 1.64 -1.08 -0.80 -0.74 116.67 115.94 1jby s ASP 21 Ca -0.09 -0.61 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 1jby s ASP 21 Cb -0.07 -0.08 0.03 0.00 -1.46 0.00 0.00 42.92 41.34 1jby s ASP 21 CO -0.01 -0.36 -0.13 -0.69 0.52 0.00 0.00 175.17 174.50 1jby s VAL 22 N 2.19 2.34 -1.59 1.11 1.01 0.45 -0.66 120.40 125.25 1jby s VAL 22 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 1jby s VAL 22 Cb -0.16 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1jby s VAL 22 CO -0.14 0.27 0.70 0.59 0.00 0.00 0.00 175.10 176.52 1jby n ASN 23 N 4.58 -2.62 0.00 3.32 4.13 0.24 0.19 115.26 125.09 1jby n ASN 23 Ca -0.18 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.11 1jby n ASN 23 Cb 0.47 -3.00 0.00 0.00 -1.54 0.00 0.00 39.78 35.71 1jby n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jby n GLY 24 N -1.62 1.75 3.64 7.41 0.00 -1.26 -4.97 105.19 110.14 1jby n GLY 24 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jby n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jby s HIS 25 N -3.54 3.28 0.00 1.61 3.76 0.49 -5.03 115.29 115.86 1jby s HIS 25 Ca 0.00 1.19 0.01 0.00 -0.15 0.00 0.00 55.06 56.11 1jby s HIS 25 Cb 0.00 -3.23 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1jby s HIS 25 CO 0.00 -0.50 0.03 0.15 -0.85 0.00 0.00 174.74 173.57 1jby s LYS 26 N 3.08 2.88 0.11 1.40 1.02 -1.26 0.17 119.74 127.13 1jby s LYS 26 Ca 0.39 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 1jby s LYS 26 Cb -0.15 -2.73 0.08 0.00 -0.52 0.00 0.00 37.83 34.51 1jby s LYS 26 CO 0.09 0.63 0.76 -0.59 -0.92 0.00 0.00 175.35 175.31 1jby s PHE 27 N -1.14 -0.39 0.09 3.18 -0.71 0.09 -4.97 117.98 114.12 1jby s PHE 27 Ca 0.21 0.18 0.04 0.00 -1.04 0.00 0.00 56.93 56.32 1jby s PHE 27 Cb -0.12 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1jby s PHE 27 CO 0.12 -0.77 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.00 1jby s SER 28 N -2.69 1.48 -0.04 1.98 0.01 -1.26 0.08 113.70 113.26 1jby s SER 28 Ca 0.05 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 1jby s SER 28 Cb -0.02 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1jby s SER 28 CO -0.08 -0.20 0.10 -0.69 0.41 0.00 0.00 173.24 172.78 1jby s VAL 29 N -1.99 -0.00 0.01 3.43 1.01 -0.91 -1.17 120.40 120.77 1jby s VAL 29 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1jby s VAL 29 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1jby s VAL 29 CO 0.01 0.01 -0.17 -0.44 0.00 0.00 0.00 175.10 174.50 1jby s SER 30 N 0.15 3.83 0.03 3.32 0.01 -0.70 -1.79 113.70 118.55 1jby s SER 30 Ca -0.01 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1jby s SER 30 Cb -0.02 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 1jby s SER 30 CO -0.00 0.29 -0.07 -0.83 0.41 0.00 0.00 173.24 173.03 1jby s GLY 31 N -1.16 0.45 -0.03 3.44 0.00 0.15 -0.05 107.32 110.11 1jby s GLY 31 Ca 0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1jby s GLY 31 CO 0.03 -0.70 0.13 -0.54 0.00 0.00 0.00 173.10 172.02 1jby s GLU 32 N -1.33 0.30 0.00 2.90 2.02 -0.38 -1.49 118.70 120.72 1jby s GLU 32 Ca -0.08 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1jby s GLU 32 Cb -0.09 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1jby s GLU 32 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1jby n GLY 33 N 2.32 -0.69 3.33 -1.39 0.00 -0.93 -0.92 105.19 106.90 1jby n GLY 33 Ca -0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1jby n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jby s GLU 34 N -0.06 0.92 0.11 1.61 -1.05 -0.82 -0.23 118.70 119.18 1jby s GLU 34 Ca 0.00 -0.31 0.10 0.00 -0.15 0.00 0.00 54.97 54.61 1jby s GLU 34 Cb 0.00 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1jby s GLU 34 CO 0.00 -0.31 -0.25 0.20 0.95 0.00 0.00 175.26 175.85 1jby s GLY 35 N -1.92 1.46 -0.41 -3.83 0.00 0.36 -1.73 107.32 101.25 1jby s GLY 35 Ca -0.06 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.33 1jby s GLY 35 CO -0.01 -1.35 0.38 1.34 0.00 0.00 0.00 173.10 173.46 1jby n ASP 36 N 1.09 -0.29 -0.43 1.64 2.03 0.40 -1.33 116.55 119.66 1jby n ASP 36 Ca -0.18 -2.45 0.35 0.00 0.52 0.00 0.00 54.79 53.03 1jby n ASP 36 Cb 0.53 -0.57 0.65 0.00 -0.72 0.00 0.00 41.12 41.01 1jby n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jby h ALA 37 N 5.30 2.78 -0.36 -1.67 0.00 -1.76 0.17 119.26 123.72 1jby h ALA 37 Ca 0.23 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.32 1jby h ALA 37 Cb 0.90 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jby h ALA 37 CO 0.40 -1.33 0.28 1.15 0.00 0.00 0.00 179.25 179.75 1jby h THR 38 N 0.13 0.71 -0.11 0.00 2.02 -1.87 -0.91 112.91 112.88 1jby h THR 38 Ca 0.76 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.94 1jby h THR 38 Cb 2.45 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1jby h THR 38 CO -0.32 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.35 1jby n TYR 39 N -4.26 0.15 -1.95 3.16 4.01 0.56 -4.95 117.16 113.87 1jby n TYR 39 Ca 0.06 -0.32 -0.15 0.00 -0.16 0.00 0.00 57.90 57.33 1jby n TYR 39 Cb 0.46 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1jby n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jby n GLY 40 N 0.11 0.42 3.69 2.72 0.00 -0.34 -4.80 105.19 106.99 1jby n GLY 40 Ca 0.05 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1jby n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jby s LYS 41 N -4.16 3.46 -0.02 1.61 2.20 -1.07 -1.46 119.74 120.30 1jby s LYS 41 Ca 0.00 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1jby s LYS 41 Cb 0.00 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1jby s LYS 41 CO 0.00 0.54 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.90 1jby s LEU 42 N -0.39 1.93 -0.15 5.43 1.43 0.28 -0.45 118.68 126.76 1jby s LEU 42 Ca 0.09 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1jby s LEU 42 Cb -0.12 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1jby s LEU 42 CO 0.02 0.12 0.03 -0.89 0.23 0.00 0.00 176.35 175.86 1jby s THR 43 N -0.08 0.39 0.08 5.49 2.01 -0.71 -0.91 115.64 121.90 1jby s THR 43 Ca 0.01 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1jby s THR 43 Cb -0.07 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1jby s THR 43 CO 0.00 -0.05 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.06 1jby s LEU 44 N 1.94 2.44 -0.05 4.42 1.02 0.07 -1.93 118.68 126.59 1jby s LEU 44 Ca 0.02 -0.88 0.05 0.00 0.02 0.00 0.00 54.13 53.33 1jby s LEU 44 Cb -0.15 -0.07 -0.01 0.00 0.02 0.00 0.00 46.19 45.98 1jby s LEU 44 CO -0.07 -0.41 -0.20 -0.75 0.02 0.00 0.00 176.35 174.94 1jby s LYS 45 N -3.24 2.09 -0.02 1.70 2.20 -0.10 0.32 119.74 122.68 1jby s LYS 45 Ca 0.06 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.02 1jby s LYS 45 Cb 0.01 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 1jby s LYS 45 CO -0.04 0.29 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.94 1jby s PHE 46 N -0.03 2.36 -0.08 4.03 0.40 0.13 -1.25 117.98 123.54 1jby s PHE 46 Ca -0.04 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1jby s PHE 46 Cb -0.12 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1jby s PHE 46 CO 0.03 -0.03 -0.16 0.42 0.70 0.00 0.00 175.22 176.18 1jby s ILE 47 N -0.61 1.45 -0.47 0.64 -1.09 0.92 -1.16 121.20 120.89 1jby s ILE 47 Ca 0.10 -0.66 -0.28 0.00 -2.23 0.00 0.00 60.65 57.58 1jby s ILE 47 Cb -0.10 -1.30 0.01 0.00 -1.58 0.00 0.00 42.46 39.49 1jby s ILE 47 CO -0.01 0.43 1.45 0.00 -1.23 0.00 0.00 174.94 175.58 1jby n THR 49 N 7.03 0.39 -0.41 0.00 -2.24 -0.32 -3.54 114.28 115.19 1jby n THR 49 Ca 0.16 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1jby n THR 49 Cb 0.49 -0.29 0.32 0.00 -2.10 0.00 0.00 70.33 68.75 1jby n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jby n THR 50 N -2.07 1.86 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.86 1jby n THR 50 Ca 0.05 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1jby n THR 50 Cb 0.42 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1jby n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jby n GLY 51 N 0.85 0.14 3.80 3.38 0.00 -1.23 -4.94 105.19 107.19 1jby n GLY 51 Ca 0.23 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1jby n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jby s LYS 52 N 0.00 3.84 -0.02 1.61 2.47 -1.26 -4.26 119.74 122.11 1jby s LYS 52 Ca 0.00 -0.12 -0.30 0.00 -1.56 0.00 0.00 55.97 53.99 1jby s LYS 52 Cb 0.00 -3.30 -0.06 0.00 -1.46 0.00 0.00 37.83 33.00 1jby s LYS 52 CO 0.00 0.54 1.71 -1.17 0.16 0.00 0.00 175.35 176.58 1jby s LEU 53 N -0.35 4.35 0.41 5.43 2.96 -1.26 -4.89 118.68 125.33 1jby s LEU 53 Ca 0.13 2.34 0.28 0.00 -0.22 0.00 0.00 54.13 56.66 1jby s LEU 53 Cb -0.12 -3.54 1.00 0.00 0.50 0.00 0.00 46.19 44.04 1jby s LEU 53 CO 0.02 -0.94 1.82 1.55 -1.32 0.00 0.00 176.35 177.48 1jby h PRO 54 N 9.56 0.00 -5.50 0.98 0.14 -1.96 -3.44 132.00 131.78 1jby h PRO 54 Ca -0.41 0.00 -0.64 0.00 0.14 0.00 0.00 66.00 65.09 1jby h PRO 54 Cb 1.19 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.22 1jby h PRO 54 CO 0.95 0.00 -0.48 0.14 0.14 0.00 0.00 178.00 178.75 1jby s VAL 55 N -3.42 1.52 0.19 1.56 -7.23 -1.26 -4.68 120.40 107.08 1jby s VAL 55 Ca 0.04 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1jby s VAL 55 Cb 0.09 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 1jby s VAL 55 CO 0.54 0.00 0.91 -2.84 -0.31 0.00 0.00 175.10 173.40 1jby s PRO 56 N -3.94 4.76 0.17 4.82 0.02 -1.26 -4.97 135.00 134.61 1jby s PRO 56 Ca 0.20 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.49 1jby s PRO 56 Cb 0.02 -3.30 0.14 0.00 0.02 0.00 0.00 34.50 31.38 1jby s PRO 56 CO 0.11 0.44 1.72 -1.49 -0.33 0.00 0.00 177.00 177.45 1jby h TRP 57 N 4.59 0.12 -0.10 6.54 4.06 -1.95 -1.13 115.95 128.08 1jby h TRP 57 Ca -0.45 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.56 1jby h TRP 57 Cb 1.20 0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1jby h TRP 57 CO 0.63 -0.01 0.18 -1.35 -3.56 0.00 0.00 178.44 174.33 1jby h PRO 58 N 0.21 0.00 0.00 0.49 0.11 -1.89 0.24 132.00 131.16 1jby h PRO 58 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1jby h PRO 58 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1jby h PRO 58 CO -0.29 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.29 1jby h THR 59 N 0.00 0.00 0.00 -1.15 1.35 -1.59 -3.07 112.91 108.45 1jby h THR 59 Ca 0.05 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1jby h THR 59 Cb 0.41 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1jby h THR 59 CO -0.00 0.00 -0.95 0.18 -0.25 0.00 0.00 175.52 174.50 1jby n LEU 60 N -2.72 0.82 -0.21 3.87 4.77 0.85 -4.58 117.00 119.81 1jby n LEU 60 Ca 0.01 -0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 55.65 1jby n LEU 60 Cb 0.27 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1jby n LEU 60 CO 0.24 0.20 0.74 0.58 -1.33 0.00 0.00 177.39 177.81 1jby h VAL 61 N 0.00 0.37 -0.63 4.08 2.07 -1.53 0.17 116.25 120.79 1jby h VAL 61 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jby h VAL 61 Cb 0.54 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1jby h VAL 61 CO 0.00 0.00 0.33 0.71 0.02 0.00 0.00 177.57 178.63 1jby h THR 62 N -0.00 1.19 -0.16 2.57 1.35 -1.82 -1.86 112.91 114.18 1jby h THR 62 Ca 0.30 -0.50 -0.06 0.00 -0.55 0.00 0.00 66.41 65.60 1jby h THR 62 Cb 0.46 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1jby h THR 62 CO -0.65 0.22 -0.14 0.74 -0.25 0.00 0.00 175.52 175.43 1jby h THR 63 N 0.87 1.34 0.00 6.82 2.02 -1.57 -3.45 112.91 118.94 1jby h THR 63 Ca 0.22 -1.29 -0.21 0.00 0.77 0.00 0.00 66.41 65.90 1jby h THR 63 Cb 0.04 1.82 0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1jby h THR 63 CO -0.03 0.38 1.59 0.49 0.37 0.00 0.00 175.52 178.32 1jby n PHE 64 N -4.54 0.51 0.00 3.16 3.72 -0.05 -5.06 117.46 115.20 1jby n PHE 64 Ca -0.06 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.34 1jby n PHE 64 Cb 0.36 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1jby n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1jby n VAL 68 N 5.04 0.00 0.31 -4.37 0.24 -1.26 -5.01 118.33 113.28 1jby n VAL 68 Ca 0.21 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.55 1jby n VAL 68 Cb 0.11 0.00 0.17 0.00 -1.47 0.00 0.00 33.84 32.65 1jby n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jby n GLN 69 N 0.00 0.08 0.06 7.34 6.02 -1.26 -0.99 117.38 128.63 1jby n GLN 69 Ca 0.00 0.26 0.06 0.00 -0.01 0.00 0.00 57.00 57.30 1jby n GLN 69 Cb 0.00 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.03 1jby n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jby n PHE 71 N -1.79 0.65 -2.14 0.00 3.72 -0.16 -4.73 117.46 113.01 1jby n PHE 71 Ca 0.00 -0.32 -0.33 0.00 -0.05 0.00 0.00 57.45 56.75 1jby n PHE 71 Cb 0.06 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1jby n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jby s SER 72 N -1.13 5.79 -0.33 4.37 0.01 -0.08 -4.04 113.70 118.28 1jby s SER 72 Ca 0.37 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.36 1jby s SER 72 Cb 0.19 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 1jby s SER 72 CO 0.26 -1.16 0.58 -0.60 0.41 0.00 0.00 173.24 172.72 1jby s ARG 73 N -3.77 3.74 -0.43 12.44 3.52 -0.25 -4.76 118.95 129.43 1jby s ARG 73 Ca 0.66 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 56.15 1jby s ARG 73 Cb -0.18 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.47 1jby s ARG 73 CO 0.32 -0.63 0.38 0.71 -0.81 0.00 0.00 175.30 175.27 1jby s TYR 74 N 2.54 3.21 0.74 5.12 1.51 -1.26 -1.21 117.35 128.00 1jby s TYR 74 Ca 0.22 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 1jby s TYR 74 Cb -0.15 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.82 1jby s TYR 74 CO 0.13 -0.69 0.61 -2.30 -1.11 0.00 0.00 175.55 172.18 1jby n PRO 75 N 5.36 0.29 -0.30 -1.71 -0.02 -1.26 -4.48 135.00 132.88 1jby n PRO 75 Ca -0.10 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1jby n PRO 75 Cb 0.46 -1.91 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 1jby n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1jby h ASP 76 N -0.45 0.24 0.51 2.55 3.58 -2.00 0.59 116.42 121.44 1jby h ASP 76 Ca -0.46 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1jby h ASP 76 Cb 1.34 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.56 1jby h ASP 76 CO 0.43 -0.03 0.00 1.12 -2.88 0.00 0.00 179.24 177.87 1jby h HIS 77 N 0.35 0.00 -0.01 0.28 2.07 -1.97 -3.01 115.15 112.86 1jby h HIS 77 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 1jby h HIS 77 Cb 1.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.02 1jby h HIS 77 CO -0.17 0.00 -0.31 -1.33 -3.07 0.00 0.00 177.93 173.05 1jby n MET 78 N -2.81 1.86 -0.33 5.12 2.81 0.20 -4.64 117.12 119.34 1jby n MET 78 Ca -0.01 -0.69 0.22 0.00 -1.81 0.00 0.00 57.70 55.41 1jby n MET 78 Cb 0.18 -1.20 0.42 0.00 -0.71 0.00 0.00 33.22 31.91 1jby n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jby h LYS 79 N 1.46 0.03 0.00 0.03 1.57 -1.25 1.24 116.57 119.65 1jby h LYS 79 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jby h LYS 79 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jby h LYS 79 CO 0.00 0.02 0.15 2.89 -0.57 0.00 0.00 179.45 181.94 1jby n ARG 80 N -5.36 0.07 0.00 3.15 1.85 -1.26 0.53 116.66 115.64 1jby n ARG 80 Ca 0.29 0.51 0.11 0.00 -1.00 0.00 0.00 57.85 57.77 1jby n ARG 80 Cb 0.98 -1.87 -0.01 0.00 -1.05 0.00 0.00 32.46 30.51 1jby n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1jby n HIS 81 N -1.84 0.00 -1.86 2.89 8.25 0.43 -4.59 115.22 118.49 1jby n HIS 81 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1jby n HIS 81 Cb 0.16 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1jby n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jby s ASP 82 N -2.70 4.57 0.19 0.41 -1.08 0.19 -4.36 116.67 113.89 1jby s ASP 82 Ca 0.14 -0.63 -0.05 0.00 -0.52 0.00 0.00 52.55 51.49 1jby s ASP 82 Cb 0.17 -2.56 0.12 0.00 -1.46 0.00 0.00 42.92 39.19 1jby s ASP 82 CO 0.69 -3.34 1.56 0.15 0.52 0.00 0.00 175.17 174.75 1jby h PHE 83 N 11.51 0.86 -0.09 -5.34 3.57 -1.87 -3.14 116.94 122.43 1jby h PHE 83 Ca 0.08 -0.24 0.03 0.00 3.53 0.00 0.00 57.97 61.37 1jby h PHE 83 Cb 0.99 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1jby h PHE 83 CO 1.18 0.98 -0.10 0.74 -2.23 0.00 0.00 178.31 178.89 1jby h PHE 84 N 0.60 -0.24 -0.27 0.41 0.04 -1.90 -2.75 116.94 112.84 1jby h PHE 84 Ca 0.06 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.73 1jby h PHE 84 Cb 0.90 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1jby h PHE 84 CO 0.05 -0.15 -0.28 0.87 -0.60 0.00 0.00 178.31 178.20 1jby h LYS 85 N -0.12 0.55 -0.92 1.51 1.57 -1.85 -3.04 116.57 114.27 1jby h LYS 85 Ca 0.07 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1jby h LYS 85 Cb 0.22 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1jby h LYS 85 CO -0.17 0.78 0.60 0.66 -0.57 0.00 0.00 179.45 180.75 1jby h SER 86 N 0.48 0.93 0.34 0.86 4.64 -1.46 -0.74 113.55 118.60 1jby h SER 86 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jby h SER 86 Cb 0.74 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1jby h SER 86 CO 0.06 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 1jby n ALA 87 N -2.39 1.66 -2.13 5.18 0.00 -1.06 -4.55 120.51 117.21 1jby n ALA 87 Ca 0.14 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1jby n ALA 87 Cb 0.18 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1jby n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jby s MET 88 N -2.80 3.93 0.31 0.00 1.00 -0.28 -0.58 119.30 120.88 1jby s MET 88 Ca 0.09 0.62 0.22 0.00 0.00 0.00 0.00 55.69 56.62 1jby s MET 88 Cb 0.08 -2.40 0.15 0.00 0.00 0.00 0.00 34.83 32.67 1jby s MET 88 CO 0.21 0.07 1.31 -1.00 0.00 0.00 0.00 175.02 175.61 1jby h PRO 89 N 1.85 0.00 -0.98 2.03 0.13 -1.86 -3.39 132.00 129.78 1jby h PRO 89 Ca -0.48 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.86 1jby h PRO 89 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1jby h PRO 89 CO 0.65 0.03 0.62 0.93 -0.23 0.00 0.00 178.00 179.99 1jby h GLU 90 N 0.00 0.59 0.00 0.86 3.07 -1.93 -3.01 114.58 114.17 1jby h GLU 90 Ca -0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1jby h GLU 90 Cb 1.04 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1jby h GLU 90 CO 0.00 0.39 0.00 0.41 -1.40 0.00 0.00 179.01 178.42 1jby n GLY 91 N -1.41 -2.31 3.13 -3.84 0.00 0.25 -4.70 105.19 96.32 1jby n GLY 91 Ca 0.22 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 1jby n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jby s TYR 92 N -0.83 0.33 -0.13 1.61 -0.85 -0.44 0.67 117.35 117.72 1jby s TYR 92 Ca 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 57.07 55.69 1jby s TYR 92 Cb 0.00 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1jby s TYR 92 CO 0.00 -0.42 0.13 0.08 -1.52 0.00 0.00 175.55 173.82 1jby s VAL 93 N -3.58 5.43 -0.08 -3.49 1.01 0.06 -0.30 120.40 119.46 1jby s VAL 93 Ca 0.03 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1jby s VAL 93 Cb 0.05 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1jby s VAL 93 CO -0.09 0.60 -0.07 -1.58 0.00 0.00 0.00 175.10 173.96 1jby s GLN 94 N -0.87 1.32 -0.01 2.72 0.74 -0.31 -2.26 119.66 120.99 1jby s GLN 94 Ca 0.14 -0.23 0.05 0.00 0.05 0.00 0.00 55.36 55.37 1jby s GLN 94 Cb -0.12 -1.29 -0.01 0.00 1.10 0.00 0.00 33.01 32.69 1jby s GLN 94 CO 0.03 -0.14 -0.16 -1.21 -0.55 0.00 0.00 175.29 173.26 1jby s GLU 95 N 1.23 1.30 0.05 1.67 2.02 0.10 -1.08 118.70 124.00 1jby s GLU 95 Ca -0.05 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1jby s GLU 95 Cb -0.14 -1.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.80 1jby s GLU 95 CO -0.02 0.35 0.04 1.03 0.02 0.00 0.00 175.26 176.67 1jby s ARG 96 N -0.46 0.63 -0.09 1.61 0.52 -0.58 0.60 118.95 121.18 1jby s ARG 96 Ca 0.06 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1jby s ARG 96 Cb -0.06 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1jby s ARG 96 CO -0.00 -0.14 -0.10 0.99 0.02 0.00 0.00 175.30 176.06 1jby s THR 97 N -3.48 1.12 -0.23 0.02 2.01 -0.91 -0.51 115.64 113.66 1jby s THR 97 Ca 0.03 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1jby s THR 97 Cb 0.04 -1.07 0.05 0.00 0.01 0.00 0.00 72.50 71.53 1jby s THR 97 CO -0.09 0.37 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.47 1jby s ILE 98 N 1.21 1.93 -0.33 1.82 1.01 -0.15 -1.87 121.20 124.82 1jby s ILE 98 Ca -0.04 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 1jby s ILE 98 Cb -0.14 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1jby s ILE 98 CO -0.03 0.07 0.53 -0.36 0.00 0.00 0.00 174.94 175.15 1jby s PHE 99 N 1.24 3.19 -0.33 3.97 0.40 0.11 -1.47 117.98 125.08 1jby s PHE 99 Ca -0.05 0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 56.37 1jby s PHE 99 Cb -0.18 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.43 1jby s PHE 99 CO -0.07 -0.50 0.71 -0.06 0.70 0.00 0.00 175.22 176.00 1jby s PHE 100 N 2.43 3.17 0.23 0.36 0.40 -0.63 -1.38 117.98 122.56 1jby s PHE 100 Ca 0.20 0.57 -0.32 0.00 -0.60 0.00 0.00 56.93 56.79 1jby s PHE 100 Cb -0.15 -3.19 -0.13 0.00 0.51 0.00 0.00 43.02 40.06 1jby s PHE 100 CO 0.13 -0.60 1.60 1.17 0.70 0.00 0.00 175.22 178.21 1jby n LYS 101 N 6.14 2.50 -1.40 0.44 4.81 -0.75 -0.11 118.16 129.79 1jby n LYS 101 Ca 0.01 0.89 -0.14 0.00 -0.87 0.00 0.00 58.31 58.21 1jby n LYS 101 Cb 0.48 -2.67 -0.06 0.00 0.02 0.00 0.00 35.03 32.80 1jby n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jby n ASP 102 N 2.94 -5.26 -0.09 3.14 8.00 -1.26 -4.83 116.55 119.19 1jby n ASP 102 Ca 0.13 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1jby n ASP 102 Cb 0.34 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 1jby n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jby n ASP 103 N -0.89 0.00 -3.59 -2.24 -0.08 0.85 -4.90 116.55 105.69 1jby n ASP 103 Ca -0.14 -0.09 -0.24 0.00 -1.51 0.00 0.00 54.79 52.81 1jby n ASP 103 Cb 0.55 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.18 1jby n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jby n GLY 104 N 0.00 -1.30 3.39 0.27 0.00 -1.13 -4.57 105.19 101.84 1jby n GLY 104 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1jby n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jby s ASN 105 N -4.95 3.22 -0.08 1.61 2.20 -0.39 -1.60 114.94 114.95 1jby s ASN 105 Ca 0.61 -0.84 0.01 0.00 -0.94 0.00 0.00 52.86 51.71 1jby s ASN 105 Cb -0.02 -0.22 -0.03 0.00 -2.00 0.00 0.00 41.25 38.98 1jby s ASN 105 CO 0.43 0.10 -0.09 -0.31 -2.94 0.00 0.00 177.10 174.29 1jby s TYR 106 N -1.61 2.88 -0.15 1.54 2.02 -0.55 -2.13 117.35 119.36 1jby s TYR 106 Ca 0.18 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1jby s TYR 106 Cb -0.08 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1jby s TYR 106 CO 0.08 0.22 -0.17 0.15 -1.57 0.00 0.00 175.55 174.27 1jby s LYS 107 N -0.60 2.55 0.03 -0.62 3.01 0.23 -0.97 119.74 123.35 1jby s LYS 107 Ca 0.09 -0.67 0.06 0.00 -1.01 0.00 0.00 55.97 54.45 1jby s LYS 107 Cb -0.12 -2.22 -0.02 0.00 -1.01 0.00 0.00 37.83 34.47 1jby s LYS 107 CO 0.02 -0.16 -0.19 0.95 0.51 0.00 0.00 175.35 176.47 1jby s THR 108 N 1.24 1.53 -0.07 2.17 -4.23 0.34 0.06 115.64 116.67 1jby s THR 108 Ca 0.01 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1jby s THR 108 Cb -0.14 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.41 1jby s THR 108 CO -0.08 0.23 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.62 1jby s ARG 109 N -0.96 0.77 0.13 3.99 3.52 -0.64 -1.53 118.95 124.24 1jby s ARG 109 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1jby s ARG 109 Cb -0.08 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.25 1jby s ARG 109 CO 0.01 -0.24 -0.10 0.00 -0.81 0.00 0.00 175.30 174.16 1jby s ALA 110 N 1.68 1.32 -0.09 6.12 0.00 -0.24 0.32 121.76 130.88 1jby s ALA 110 Ca 0.01 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1jby s ALA 110 Cb -0.13 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1jby s ALA 110 CO -0.04 -0.09 -0.14 -1.21 0.00 0.00 0.00 175.76 174.29 1jby s GLU 111 N -3.47 1.95 -0.29 0.00 2.02 0.14 -1.16 118.70 117.90 1jby s GLU 111 Ca 0.13 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 1jby s GLU 111 Cb 0.01 -1.65 0.05 0.00 0.10 0.00 0.00 34.13 32.63 1jby s GLU 111 CO -0.00 -0.03 -0.02 0.08 0.02 0.00 0.00 175.26 175.31 1jby s VAL 112 N 0.87 2.90 0.33 2.63 1.01 0.59 -1.60 120.40 127.13 1jby s VAL 112 Ca -0.10 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 1jby s VAL 112 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1jby s VAL 112 CO 0.01 -0.03 0.70 -1.59 0.00 0.00 0.00 175.10 174.18 1jby s LYS 113 N 1.26 1.96 0.20 2.72 -2.85 -0.76 -1.32 119.74 120.94 1jby s LYS 113 Ca -0.04 -1.28 -0.20 0.00 -1.00 0.00 0.00 55.97 53.45 1jby s LYS 113 Cb -0.19 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1jby s LYS 113 CO -0.02 -0.89 0.70 -0.06 0.10 0.00 0.00 175.35 175.18 1jby s PHE 114 N -3.19 3.67 -0.54 1.78 0.08 -1.14 -0.39 117.98 118.26 1jby s PHE 114 Ca 0.16 1.37 0.04 0.00 0.12 0.00 0.00 56.93 58.62 1jby s PHE 114 Cb -0.05 -2.60 0.14 0.00 -0.57 0.00 0.00 43.02 39.94 1jby s PHE 114 CO 0.10 0.37 0.31 -1.21 -0.10 0.00 0.00 175.22 174.69 1jby s GLU 115 N -1.86 1.88 7.82 0.44 0.41 0.18 -4.91 118.70 122.66 1jby s GLU 115 Ca 0.41 -2.62 0.00 0.00 -0.41 0.00 0.00 54.97 52.35 1jby s GLU 115 Cb -0.17 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1jby s GLU 115 CO 0.21 -1.17 0.00 0.41 -0.49 0.00 0.00 175.26 174.22 1jby n GLY 116 N 2.95 3.35 0.05 -1.39 0.00 -1.26 -1.00 105.19 107.89 1jby n GLY 116 Ca 0.10 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1jby n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jby n ASP 117 N 8.12 0.55 -4.78 1.61 9.92 -1.26 -4.85 116.55 125.86 1jby n ASP 117 Ca 0.00 0.26 -0.37 0.00 -0.53 0.00 0.00 54.79 54.14 1jby n ASP 117 Cb 0.00 -0.22 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 1jby n ASP 117 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1jby s THR 118 N -3.08 5.22 -0.39 -3.53 2.01 -0.17 -4.40 115.64 111.29 1jby s THR 118 Ca 0.10 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 1jby s THR 118 Cb 0.15 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1jby s THR 118 CO 0.64 0.47 0.64 -0.22 -0.69 0.00 0.00 174.62 175.46 1jby s LEU 119 N -0.18 4.35 -0.01 4.42 1.98 -0.35 0.48 118.68 129.38 1jby s LEU 119 Ca 0.20 -0.06 0.02 0.00 -2.89 0.00 0.00 54.13 51.40 1jby s LEU 119 Cb -0.14 -2.76 -0.03 0.00 0.66 0.00 0.00 46.19 43.91 1jby s LEU 119 CO 0.08 -0.67 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.15 1jby s VAL 120 N 2.75 3.93 -0.27 1.68 1.01 0.48 -1.31 120.40 128.66 1jby s VAL 120 Ca 0.24 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1jby s VAL 120 Cb -0.14 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1jby s VAL 120 CO 0.17 0.42 -0.00 0.21 0.00 0.00 0.00 175.10 175.89 1jby s ASN 121 N -1.39 4.04 -0.17 3.32 2.47 -0.49 -1.84 114.94 120.88 1jby s ASN 121 Ca 0.17 -1.44 -0.04 0.00 0.42 0.00 0.00 52.86 51.97 1jby s ASN 121 Cb -0.11 -1.19 -0.03 0.00 -1.45 0.00 0.00 41.25 38.47 1jby s ASN 121 CO 0.08 -0.30 -0.02 -0.13 -3.72 0.00 0.00 177.10 173.01 1jby s ARG 122 N 1.35 3.68 0.01 0.43 0.52 -0.63 -1.83 118.95 122.48 1jby s ARG 122 Ca 0.00 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 1jby s ARG 122 Cb -0.19 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1jby s ARG 122 CO -0.10 0.17 -0.09 0.42 0.02 0.00 0.00 175.30 175.72 1jby s ILE 123 N 0.56 0.71 -0.16 1.52 1.01 -0.14 0.25 121.20 124.94 1jby s ILE 123 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1jby s ILE 123 Cb -0.14 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1jby s ILE 123 CO 0.02 0.04 -0.12 -0.70 0.00 0.00 0.00 174.94 174.19 1jby s GLU 124 N -0.63 3.31 -0.08 2.79 2.56 0.15 -1.70 118.70 125.10 1jby s GLU 124 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 54.97 54.32 1jby s GLU 124 Cb -0.05 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.35 1jby s GLU 124 CO 0.00 0.02 -0.19 -1.17 -0.56 0.00 0.00 175.26 173.36 1jby s LEU 125 N 0.84 1.92 -0.09 2.70 0.20 -0.44 -1.61 118.68 122.19 1jby s LEU 125 Ca -0.04 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.35 1jby s LEU 125 Cb -0.15 -1.15 0.02 0.00 -0.43 0.00 0.00 46.19 44.48 1jby s LEU 125 CO 0.00 0.13 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.56 1jby s LYS 126 N 0.34 1.60 -0.06 1.98 3.01 0.11 -1.90 119.74 124.81 1jby s LYS 126 Ca -0.13 -0.32 0.05 0.00 -1.01 0.00 0.00 55.97 54.55 1jby s LYS 126 Cb -0.16 -1.51 -0.00 0.00 -1.01 0.00 0.00 37.83 35.15 1jby s LYS 126 CO 0.06 -0.15 -0.22 0.20 0.51 0.00 0.00 175.35 175.76 1jby s GLY 127 N 1.27 1.15 0.05 -3.33 0.00 0.17 0.74 107.32 107.37 1jby s GLY 127 Ca -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1jby s GLY 127 CO -0.03 -0.44 0.01 -0.26 0.00 0.00 0.00 173.10 172.38 1jby s ILE 128 N 0.06 0.19 -0.34 0.90 -4.36 -0.90 0.80 121.20 117.55 1jby s ILE 128 Ca -0.08 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1jby s ILE 128 Cb -0.14 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.24 1jby s ILE 128 CO 0.04 -0.88 0.00 0.47 0.24 0.00 0.00 174.94 174.82 1jby n ASP 129 N 0.27 -3.92 -4.74 4.36 8.00 -1.26 -1.26 116.55 118.00 1jby n ASP 129 Ca -0.15 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 1jby n ASP 129 Cb 0.60 -1.70 -0.05 0.00 -0.02 0.00 0.00 41.12 39.95 1jby n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jby s PHE 130 N -1.94 3.77 0.03 1.24 0.40 -1.26 -2.85 117.98 117.37 1jby s PHE 130 Ca 0.00 1.77 -0.30 0.00 -0.60 0.00 0.00 56.93 57.79 1jby s PHE 130 Cb 0.00 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 1jby s PHE 130 CO 0.00 -0.07 1.19 0.15 0.70 0.00 0.00 175.22 177.19 1jby s LYS 131 N -0.75 4.42 0.62 0.44 1.02 -1.26 -4.88 119.74 119.35 1jby s LYS 131 Ca 0.45 1.73 0.40 0.00 0.02 0.00 0.00 55.97 58.57 1jby s LYS 131 Cb -0.27 -3.40 2.05 0.00 -0.52 0.00 0.00 37.83 35.68 1jby s LYS 131 CO 0.34 -0.29 2.24 0.93 -0.92 0.00 0.00 175.35 177.65 1jby h GLU 132 N 6.96 0.00 -0.35 1.68 4.39 -1.97 0.11 114.58 125.40 1jby h GLU 132 Ca -0.40 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.20 1jby h GLU 132 Cb 1.20 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 1jby h GLU 132 CO 0.82 0.01 0.01 -0.25 -1.16 0.00 0.00 179.01 178.44 1jby n ASP 133 N -3.16 3.36 -4.62 1.42 8.00 -1.26 -3.91 116.55 116.38 1jby n ASP 133 Ca -0.02 -3.35 -0.26 0.00 0.71 0.00 0.00 54.79 51.87 1jby n ASP 133 Cb 0.15 -0.60 0.11 0.00 -0.02 0.00 0.00 41.12 40.76 1jby n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jby s GLY 134 N -2.11 1.74 0.47 0.44 0.00 0.38 -4.76 107.32 103.46 1jby s GLY 134 Ca 0.44 -1.25 0.12 0.00 0.00 0.00 0.00 44.72 44.03 1jby s GLY 134 CO 0.06 -0.69 2.10 3.43 0.00 0.00 0.00 173.10 178.00 1jby h ASN 135 N -0.88 0.23 0.00 1.64 2.35 -1.90 0.21 115.58 117.23 1jby h ASN 135 Ca -0.42 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1jby h ASN 135 Cb 1.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1jby h ASN 135 CO 0.48 0.17 -0.01 0.40 -1.65 0.00 0.00 177.43 176.82 1jby h ILE 136 N 0.28 0.00 -0.87 2.81 5.03 -1.92 0.84 117.51 123.67 1jby h ILE 136 Ca 0.08 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.58 1jby h ILE 136 Cb -0.02 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.71 1jby h ILE 136 CO -0.02 0.00 0.54 -0.07 -0.68 0.00 0.00 178.15 177.92 1jby h LEU 137 N -0.30 0.85 -0.92 1.44 3.38 -1.72 -0.86 115.31 117.19 1jby h LEU 137 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jby h LEU 137 Cb 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jby h LEU 137 CO 0.00 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1jby n GLY 138 N -1.33 0.78 4.18 0.83 0.00 0.72 -4.90 105.19 105.46 1jby n GLY 138 Ca 0.13 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1jby n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jby n HIS 139 N -0.05 -1.35 -0.24 1.61 8.25 -0.33 -4.85 115.22 118.27 1jby n HIS 139 Ca 0.03 0.33 0.10 0.00 -0.26 0.00 0.00 57.72 57.92 1jby n HIS 139 Cb 0.25 -2.84 0.31 0.00 1.12 0.00 0.00 29.99 28.83 1jby n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jby n LYS 140 N -4.82 2.93 -4.10 -0.41 5.02 0.29 -4.93 118.16 112.13 1jby n LYS 140 Ca -0.21 -2.48 -0.36 0.00 -2.02 0.00 0.00 58.31 53.24 1jby n LYS 140 Cb 0.63 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1jby n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jby s LEU 141 N -1.29 3.95 0.60 -0.35 1.43 -1.25 -1.16 118.68 120.61 1jby s LEU 141 Ca 0.45 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 1jby s LEU 141 Cb 0.26 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1jby s LEU 141 CO 0.27 0.35 1.27 -0.62 0.23 0.00 0.00 176.35 177.85 1jby n GLU 142 N 2.39 1.31 -2.66 1.70 1.02 -0.47 -4.87 120.64 119.05 1jby n GLU 142 Ca -0.19 0.50 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 1jby n GLU 142 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1jby n GLU 142 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1jby n TYR 143 N -1.54 4.25 -3.53 -0.32 9.36 -1.26 -4.82 117.16 119.29 1jby n TYR 143 Ca 0.13 -3.11 -0.06 0.00 3.32 0.00 0.00 57.90 58.18 1jby n TYR 143 Cb 0.46 -2.18 0.01 0.00 -0.63 0.00 0.00 39.34 37.01 1jby n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jby n ASN 144 N 5.39 -1.27 -3.65 2.98 0.23 -1.26 -4.88 115.26 112.79 1jby n ASN 144 Ca 0.40 -1.98 -0.11 0.00 -0.53 0.00 0.00 54.58 52.36 1jby n ASN 144 Cb 0.41 2.15 -0.08 0.00 -2.08 0.00 0.00 39.78 40.18 1jby n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jby s TYR 145 N -4.75 -0.83 0.33 -2.53 5.04 -1.26 -4.85 117.35 108.50 1jby s TYR 145 Ca 0.11 1.84 -0.02 0.00 -2.44 0.00 0.00 57.07 56.55 1jby s TYR 145 Cb -0.03 0.38 -0.04 0.00 0.35 0.00 0.00 41.96 42.62 1jby s TYR 145 CO 0.08 -0.41 0.57 -0.80 -1.34 0.00 0.00 175.55 173.65 1jby s ASN 146 N 0.89 6.36 0.60 4.32 0.01 -1.26 -4.72 114.94 121.14 1jby s ASN 146 Ca -0.04 0.61 -0.07 0.00 -0.71 0.00 0.00 52.86 52.65 1jby s ASN 146 Cb -0.05 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1jby s ASN 146 CO -0.08 -0.27 0.93 -0.44 -1.51 0.00 0.00 177.10 175.73 1jby s SER 147 N -3.64 5.65 0.00 -1.22 0.01 -1.26 -4.59 113.70 108.64 1jby s SER 147 Ca 0.42 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1jby s SER 147 Cb -0.10 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1jby s SER 147 CO 0.34 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1jby n GLY 148 N -2.64 -1.63 3.70 3.44 0.00 -0.57 -5.01 105.19 102.48 1jby n GLY 148 Ca 0.05 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1jby n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jby s ASN 149 N -0.53 5.16 -0.20 1.61 0.02 -1.26 -1.04 114.94 118.70 1jby s ASN 149 Ca 0.00 -0.05 0.01 0.00 -1.02 0.00 0.00 52.86 51.80 1jby s ASN 149 Cb 0.00 -1.32 0.04 0.00 0.02 0.00 0.00 41.25 39.98 1jby s ASN 149 CO 0.00 0.24 -0.14 -0.69 0.02 0.00 0.00 177.10 176.53 1jby s VAL 150 N -1.19 1.87 -0.28 1.60 1.01 -0.52 -4.60 120.40 118.29 1jby s VAL 150 Ca 0.23 -1.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 1jby s VAL 150 Cb -0.12 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1jby s VAL 150 CO 0.14 0.28 0.82 -0.31 0.00 0.00 0.00 175.10 176.04 1jby s TYR 151 N 1.32 3.25 -0.07 5.22 2.02 -0.54 -0.21 117.35 128.33 1jby s TYR 151 Ca -0.00 0.99 0.01 0.00 -0.37 0.00 0.00 57.07 57.70 1jby s TYR 151 Cb -0.16 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.21 1jby s TYR 151 CO -0.09 -0.50 -0.08 0.42 -1.57 0.00 0.00 175.55 173.73 1jby s ILE 152 N 2.94 3.60 -0.02 2.71 1.01 0.25 -1.89 121.20 129.80 1jby s ILE 152 Ca 0.34 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1jby s ILE 152 Cb -0.15 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1jby s ILE 152 CO 0.10 0.59 0.17 0.00 0.00 0.00 0.00 174.94 175.80 1jby s MET 153 N -0.70 0.42 0.47 2.79 0.23 -0.80 -1.28 119.30 120.44 1jby s MET 153 Ca 0.11 -0.19 -0.22 0.00 -1.03 0.00 0.00 55.69 54.36 1jby s MET 153 Cb -0.11 0.18 -0.07 0.00 -1.53 0.00 0.00 34.83 33.29 1jby s MET 153 CO 0.01 -0.09 1.12 0.00 -2.03 0.00 0.00 175.02 174.03 1jby s ALA 154 N -0.94 2.91 -0.36 3.16 0.00 -1.25 0.26 121.76 125.55 1jby s ALA 154 Ca -0.10 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1jby s ALA 154 Cb -0.06 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.84 1jby s ALA 154 CO 0.01 -0.56 0.16 0.34 0.00 0.00 0.00 175.76 175.71 1jby s ASP 155 N -1.58 3.71 0.02 0.00 2.15 0.48 -4.52 116.67 116.93 1jby s ASP 155 Ca 0.65 -2.02 -0.25 0.00 0.43 0.00 0.00 52.55 51.36 1jby s ASP 155 Cb -0.25 -0.82 -0.14 0.00 -0.30 0.00 0.00 42.92 41.42 1jby s ASP 155 CO 0.29 -0.35 1.18 0.07 -0.17 0.00 0.00 175.17 176.19 1jby h LYS 156 N 7.50 -0.87 -3.61 4.34 2.10 -1.96 0.10 116.57 124.17 1jby h LYS 156 Ca -0.07 0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1jby h LYS 156 Cb 0.98 0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1jby h LYS 156 CO 0.44 -0.58 0.94 1.04 -2.00 0.00 0.00 179.45 179.29 1jby n GLN 157 N -4.87 0.21 0.00 0.07 3.00 -1.26 0.25 117.38 114.77 1jby n GLN 157 Ca -0.11 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1jby n GLN 157 Cb 0.36 -1.88 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1jby n GLN 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jby n LYS 158 N 4.27 0.00 -3.94 -1.09 4.01 -1.25 -4.97 118.16 115.18 1jby n LYS 158 Ca 0.04 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.56 1jby n LYS 158 Cb 0.03 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.54 1jby n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jby n ASN 159 N 0.00 -1.33 -0.57 4.39 5.15 0.68 -4.81 115.26 118.77 1jby n ASN 159 Ca 0.00 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 1jby n ASN 159 Cb 0.00 -2.90 0.00 0.00 -0.53 0.00 0.00 39.78 36.35 1jby n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jby n GLY 160 N -1.99 2.91 3.41 8.20 0.00 -0.00 -4.26 105.19 113.46 1jby n GLY 160 Ca -0.26 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1jby n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jby s ILE 161 N -2.67 1.70 -0.06 -0.61 -4.36 -0.81 0.18 121.20 114.57 1jby s ILE 161 Ca 0.00 -2.16 0.04 0.00 -0.26 0.00 0.00 60.65 58.27 1jby s ILE 161 Cb 0.00 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1jby s ILE 161 CO 0.00 -0.38 -0.16 -0.54 0.24 0.00 0.00 174.94 174.09 1jby s LYS 162 N -3.70 2.58 -0.02 0.37 3.01 0.14 -2.51 119.74 119.61 1jby s LYS 162 Ca 0.28 -0.74 0.03 0.00 -1.01 0.00 0.00 55.97 54.53 1jby s LYS 162 Cb 0.02 -2.35 -0.00 0.00 -1.01 0.00 0.00 37.83 34.49 1jby s LYS 162 CO 0.11 0.54 -0.10 0.08 0.51 0.00 0.00 175.35 176.49 1jby s VAL 163 N -0.53 0.85 0.00 3.17 1.01 0.94 -1.90 120.40 123.93 1jby s VAL 163 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1jby s VAL 163 Cb -0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1jby s VAL 163 CO 0.01 0.25 -0.01 0.20 0.00 0.00 0.00 175.10 175.55 1jby s ASN 164 N 0.02 0.15 -0.12 3.32 0.01 -0.79 -0.87 114.94 116.66 1jby s ASN 164 Ca -0.01 -0.11 -0.33 0.00 -0.71 0.00 0.00 52.86 51.71 1jby s ASN 164 Cb -0.07 0.01 0.13 0.00 0.41 0.00 0.00 41.25 41.72 1jby s ASN 164 CO 0.00 -0.04 1.18 0.72 -1.51 0.00 0.00 177.10 177.45 1jby s PHE 165 N -0.29 -0.14 -0.14 2.20 -0.71 -0.88 -1.46 117.98 116.56 1jby s PHE 165 Ca -0.03 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 1jby s PHE 165 Cb -0.02 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1jby s PHE 165 CO -0.00 -0.28 -0.17 0.15 -1.34 0.00 0.00 175.22 173.57 1jby s LYS 166 N -2.53 3.20 -0.12 1.99 1.02 -1.26 0.57 119.74 122.61 1jby s LYS 166 Ca 0.10 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1jby s LYS 166 Cb 0.00 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1jby s LYS 166 CO -0.05 0.10 -0.07 0.42 -0.92 0.00 0.00 175.35 174.83 1jby s ILE 167 N 0.60 3.65 -0.42 2.17 -1.09 0.12 -4.89 121.20 121.34 1jby s ILE 167 Ca -0.10 -0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 57.77 1jby s ILE 167 Cb -0.16 -2.55 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1jby s ILE 167 CO 0.03 0.54 0.26 -0.13 -1.23 0.00 0.00 174.94 174.41 1jby s ARG 168 N -0.04 2.51 -0.05 2.79 3.00 -1.26 0.82 118.95 126.72 1jby s ARG 168 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 55.73 53.94 1jby s ARG 168 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 1jby s ARG 168 CO 0.03 -1.00 0.71 -1.01 0.00 0.00 0.00 175.30 174.03 1jby s HIS 169 N 1.38 3.60 -0.01 -0.53 3.76 0.61 -4.59 115.29 119.50 1jby s HIS 169 Ca 0.04 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.93 1jby s HIS 169 Cb -0.23 -2.81 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 1jby s HIS 169 CO 0.01 0.10 1.27 -0.80 -0.85 0.00 0.00 174.74 174.48 1jby s ASN 170 N 0.72 6.98 0.29 1.40 0.02 -1.26 0.17 114.94 123.27 1jby s ASN 170 Ca 0.38 1.98 -0.13 0.00 -1.02 0.00 0.00 52.86 54.06 1jby s ASN 170 Cb -0.18 -2.56 -0.08 0.00 0.02 0.00 0.00 41.25 38.44 1jby s ASN 170 CO 0.19 -0.61 0.68 -0.63 0.02 0.00 0.00 177.10 176.75 1jby s ILE 171 N 1.98 4.75 -0.37 0.60 1.01 0.15 -1.37 121.20 127.95 1jby s ILE 171 Ca 0.59 0.81 0.21 0.00 0.00 0.00 0.00 60.65 62.26 1jby s ILE 171 Cb -0.28 -3.61 0.21 0.00 0.01 0.00 0.00 42.46 38.78 1jby s ILE 171 CO 0.25 -0.15 1.63 -0.62 0.00 0.00 0.00 174.94 176.05 1jby n GLU 172 N -0.28 0.14 -0.07 2.79 1.02 -0.31 -1.24 120.64 122.69 1jby n GLU 172 Ca 0.03 0.54 0.09 0.00 -0.02 0.00 0.00 57.16 57.80 1jby n GLU 172 Cb 0.53 -1.88 0.39 0.00 -0.02 0.00 0.00 31.44 30.45 1jby n GLU 172 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jby n ASP 173 N -2.18 1.21 0.00 1.62 5.68 -1.26 -4.89 116.55 116.74 1jby n ASP 173 Ca -0.00 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1jby n ASP 173 Cb 0.10 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1jby n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jby n GLY 174 N 1.02 2.79 0.00 6.12 0.00 -0.37 -5.06 105.19 109.69 1jby n GLY 174 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jby n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jby n SER 175 N 0.00 -0.31 -4.07 1.61 2.88 -1.24 -4.74 113.62 107.76 1jby n SER 175 Ca 0.00 -0.73 -0.22 0.00 -1.33 0.00 0.00 58.87 56.59 1jby n SER 175 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1jby n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jby s VAL 176 N -0.89 1.00 -0.41 2.46 1.01 -1.26 0.34 120.40 122.65 1jby s VAL 176 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1jby s VAL 176 Cb 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.63 1jby s VAL 176 CO 0.00 0.29 0.23 -1.58 0.00 0.00 0.00 175.10 174.04 1jby s GLN 177 N -0.12 2.33 0.25 2.72 2.00 0.46 -4.85 119.66 122.45 1jby s GLN 177 Ca 0.02 -1.63 -0.30 0.00 -2.00 0.00 0.00 55.36 51.44 1jby s GLN 177 Cb -0.07 -3.67 -0.09 0.00 0.80 0.00 0.00 33.01 29.98 1jby s GLN 177 CO 0.00 -1.01 1.26 -1.17 -0.50 0.00 0.00 175.29 173.87 1jby s LEU 178 N 1.29 4.45 -0.24 3.68 2.96 -1.26 -0.29 118.68 129.27 1jby s LEU 178 Ca 0.05 2.44 -0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1jby s LEU 178 Cb -0.23 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 42.90 1jby s LEU 178 CO -0.01 -0.44 -0.01 0.00 -1.32 0.00 0.00 176.35 174.57 1jby s ALA 179 N -0.50 1.69 -0.23 5.97 0.00 0.24 -1.81 121.76 127.13 1jby s ALA 179 Ca 0.52 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 1jby s ALA 179 Cb -0.36 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1jby s ALA 179 CO 0.43 -1.25 0.52 -0.51 0.00 0.00 0.00 175.76 174.94 1jby s ASP 180 N 1.53 6.51 -0.17 0.00 1.01 -0.48 0.15 116.67 125.22 1jby s ASP 180 Ca -0.02 0.62 -0.06 0.00 0.71 0.00 0.00 52.55 53.79 1jby s ASP 180 Cb -0.18 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1jby s ASP 180 CO -0.09 -0.23 0.03 -1.00 0.21 0.00 0.00 175.17 174.10 1jby s HIS 181 N 1.93 3.19 -0.16 4.23 3.76 0.19 -0.71 115.29 127.71 1jby s HIS 181 Ca 0.23 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1jby s HIS 181 Cb -0.15 -2.03 0.03 0.00 1.11 0.00 0.00 32.58 31.54 1jby s HIS 181 CO 0.09 0.12 -0.11 0.71 -0.85 0.00 0.00 174.74 174.70 1jby s TYR 182 N 0.28 2.14 0.02 1.40 2.02 -0.78 -2.08 117.35 120.35 1jby s TYR 182 Ca 0.01 -1.29 0.02 0.00 -0.37 0.00 0.00 57.07 55.45 1jby s TYR 182 Cb -0.13 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1jby s TYR 182 CO 0.01 -0.67 -0.08 -1.14 -1.57 0.00 0.00 175.55 172.10 1jby s GLN 183 N 1.49 0.57 -0.02 -0.62 0.74 -0.05 -2.13 119.66 119.64 1jby s GLN 183 Ca 0.02 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.93 1jby s GLN 183 Cb -0.14 -0.46 -0.00 0.00 1.10 0.00 0.00 33.01 33.50 1jby s GLN 183 CO -0.09 0.11 -0.11 1.14 -0.55 0.00 0.00 175.29 175.78 1jby s GLN 184 N -0.94 1.03 -0.00 1.67 1.03 0.20 -0.04 119.66 122.60 1jby s GLN 184 Ca -0.03 -0.40 0.04 0.00 0.04 0.00 0.00 55.36 55.01 1jby s GLN 184 Cb -0.07 -0.97 -0.01 0.00 0.03 0.00 0.00 33.01 31.99 1jby s GLN 184 CO 0.00 0.20 -0.12 -0.80 -2.54 0.00 0.00 175.29 172.03 1jby s ASN 185 N -0.09 1.46 -0.08 12.60 -0.87 -1.04 0.02 114.94 126.93 1jby s ASN 185 Ca 0.01 -0.26 -0.07 0.00 -1.57 0.00 0.00 52.86 50.98 1jby s ASN 185 Cb -0.07 -0.15 0.02 0.00 -0.02 0.00 0.00 41.25 41.04 1jby s ASN 185 CO 0.00 0.13 0.21 0.42 -2.57 0.00 0.00 177.10 175.29 1jby s THR 186 N -0.38 -0.01 0.75 1.60 -4.23 -0.96 -1.93 115.64 110.48 1jby s THR 186 Ca 0.04 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 1jby s THR 186 Cb -0.05 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 1jby s THR 186 CO -0.00 0.01 0.68 -0.81 -0.54 0.00 0.00 174.62 173.96 1jby n PRO 187 N 3.20 0.30 0.06 3.99 -0.04 -1.26 -0.76 135.00 140.49 1jby n PRO 187 Ca -0.15 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1jby n PRO 187 Cb 0.57 -1.98 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 1jby n PRO 187 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jby h ILE 188 N -0.47 1.39 -1.36 0.52 2.04 -0.05 -3.42 117.51 116.15 1jby h ILE 188 Ca -0.46 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1jby h ILE 188 Cb 1.34 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 1jby h ILE 188 CO 0.43 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.90 1jby n GLY 189 N 1.43 -1.07 0.88 5.37 0.00 -1.26 -4.94 105.19 105.59 1jby n GLY 189 Ca -0.13 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.37 1jby n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jby n ASP 190 N -1.26 2.90 -4.75 1.61 8.00 -1.26 -4.99 116.55 116.80 1jby n ASP 190 Ca 0.00 -1.87 -0.30 0.00 0.71 0.00 0.00 54.79 53.33 1jby n ASP 190 Cb 0.00 -0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1jby n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jby s GLY 191 N -1.47 1.63 0.56 0.44 0.00 -1.26 -5.04 107.32 102.18 1jby s GLY 191 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 1jby s GLY 191 CO 0.25 0.44 1.02 2.56 0.00 0.00 0.00 173.10 177.37 1jby s PRO 192 N -4.97 3.67 0.15 2.90 0.04 -1.26 -4.98 135.00 130.55 1jby s PRO 192 Ca 0.62 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1jby s PRO 192 Cb -0.17 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1jby s PRO 192 CO 0.56 -0.51 0.14 0.14 0.04 0.00 0.00 177.00 177.37 1jby s VAL 193 N -2.62 0.07 -0.03 -0.36 -7.23 -1.26 -4.63 120.40 104.33 1jby s VAL 193 Ca 0.60 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.87 1jby s VAL 193 Cb -0.12 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1jby s VAL 193 CO 0.36 -0.33 0.33 -0.76 -0.31 0.00 0.00 175.10 174.39 1jby s LEU 194 N -3.05 4.45 -0.19 1.32 1.43 -1.26 -5.05 118.68 116.34 1jby s LEU 194 Ca 0.25 0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1jby s LEU 194 Cb 0.06 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1jby s LEU 194 CO 0.03 0.35 0.08 -0.76 0.23 0.00 0.00 176.35 176.28 1jby s LEU 195 N -1.06 3.94 0.48 1.79 2.01 -1.26 -4.34 118.68 120.23 1jby s LEU 195 Ca 0.21 0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.48 1jby s LEU 195 Cb -0.15 -2.00 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1jby s LEU 195 CO 0.11 0.18 0.70 -2.16 1.01 0.00 0.00 176.35 176.19 1jby s PRO 196 N 0.35 2.95 0.53 1.29 0.04 -1.26 -4.80 135.00 134.10 1jby s PRO 196 Ca 0.05 -0.53 -0.01 0.00 0.04 0.00 0.00 61.00 60.55 1jby s PRO 196 Cb -0.12 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.91 1jby s PRO 196 CO -0.01 -0.38 0.77 -0.51 0.04 0.00 0.00 177.00 176.92 1jby s ASP 197 N -4.26 5.48 0.37 6.66 1.01 -1.26 -3.75 116.67 120.91 1jby s ASP 197 Ca 0.50 0.23 -0.28 0.00 0.71 0.00 0.00 52.55 53.72 1jby s ASP 197 Cb -0.10 -1.25 -0.11 0.00 1.01 0.00 0.00 42.92 42.47 1jby s ASP 197 CO 0.38 -1.01 1.46 0.20 0.21 0.00 0.00 175.17 176.42 1jby s ASN 198 N -4.34 6.41 0.10 0.27 -0.87 -1.26 -4.73 114.94 110.52 1jby s ASN 198 Ca 0.54 2.99 -0.08 0.00 -1.57 0.00 0.00 52.86 54.74 1jby s ASN 198 Cb -0.10 -2.66 0.03 0.00 -0.02 0.00 0.00 41.25 38.49 1jby s ASN 198 CO 0.40 -0.82 0.40 0.00 -2.57 0.00 0.00 177.10 174.50 1jby n HIS 199 N 0.59 -1.09 -4.00 2.20 1.44 -0.41 -4.86 115.22 109.09 1jby n HIS 199 Ca 0.01 -0.59 -0.09 0.00 -2.01 0.00 0.00 57.72 55.04 1jby n HIS 199 Cb 0.40 0.29 -0.08 0.00 0.12 0.00 0.00 29.99 30.71 1jby n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1jby s TYR 200 N -4.92 0.49 -0.18 -1.40 -0.85 -0.98 0.87 117.35 110.37 1jby s TYR 200 Ca 0.09 -0.88 -0.05 0.00 -0.52 0.00 0.00 57.07 55.70 1jby s TYR 200 Cb -0.01 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.10 1jby s TYR 200 CO 0.03 -0.60 -0.00 -0.51 -1.52 0.00 0.00 175.55 172.94 1jby s LEU 201 N -2.97 3.34 -0.30 -3.49 1.43 0.70 -0.28 118.68 117.11 1jby s LEU 201 Ca 0.16 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 1jby s LEU 201 Cb 0.05 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1jby s LEU 201 CO -0.02 0.12 0.53 -0.55 0.23 0.00 0.00 176.35 176.66 1jby s SER 202 N 0.66 6.39 0.18 2.29 0.15 0.15 -1.43 113.70 122.08 1jby s SER 202 Ca -0.01 0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.04 1jby s SER 202 Cb -0.14 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1jby s SER 202 CO 0.02 -0.39 -0.25 0.00 1.20 0.00 0.00 173.24 173.82 1jby s GLN 204 N -2.50 0.69 -0.00 0.00 -2.07 -0.60 -1.51 119.66 113.67 1jby s GLN 204 Ca 0.19 0.54 -0.10 0.00 -1.82 0.00 0.00 55.36 54.17 1jby s GLN 204 Cb -0.08 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.17 1jby s GLN 204 CO 0.09 -0.13 0.19 -1.12 -1.32 0.00 0.00 175.29 173.00 1jby s SER 205 N -0.16 -0.04 -0.04 12.60 0.01 -1.26 -1.78 113.70 123.03 1jby s SER 205 Ca -0.03 -0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 1jby s SER 205 Cb -0.03 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1jby s SER 205 CO 0.03 -0.40 -0.00 0.00 0.41 0.00 0.00 173.24 173.27 1jby s ALA 206 N -1.39 0.47 -0.07 1.44 0.00 -0.49 -4.52 121.76 117.20 1jby s ALA 206 Ca -0.14 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1jby s ALA 206 Cb -0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1jby s ALA 206 CO 0.02 -0.18 0.23 -0.51 0.00 0.00 0.00 175.76 175.32 1jby s LEU 207 N 1.30 4.41 0.00 0.00 1.43 -1.26 -1.82 118.68 122.74 1jby s LEU 207 Ca -0.06 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1jby s LEU 207 Cb -0.13 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1jby s LEU 207 CO -0.02 0.36 0.20 -1.54 0.23 0.00 0.00 176.35 175.58 1jby n SER 208 N 1.77 -0.52 -4.18 2.29 3.41 -0.23 -4.94 113.62 111.22 1jby n SER 208 Ca -0.17 -2.16 -0.14 0.00 -0.26 0.00 0.00 58.87 56.14 1jby n SER 208 Cb 0.54 1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 65.48 1jby n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jby s LYS 209 N -2.64 0.86 -0.37 4.33 3.01 -1.26 -2.49 119.74 121.17 1jby s LYS 209 Ca 0.20 -1.21 -0.10 0.00 -1.01 0.00 0.00 55.97 53.85 1jby s LYS 209 Cb 0.01 -0.48 0.03 0.00 -1.01 0.00 0.00 37.83 36.37 1jby s LYS 209 CO 0.14 0.06 0.19 0.34 0.51 0.00 0.00 175.35 176.60 1jby s ASP 210 N -2.60 5.68 0.61 2.83 3.68 -1.26 -4.96 116.67 120.65 1jby s ASP 210 Ca 0.07 -0.99 0.28 0.00 2.13 0.00 0.00 52.55 54.04 1jby s ASP 210 Cb -0.01 -2.00 1.39 0.00 -1.45 0.00 0.00 42.92 40.84 1jby s ASP 210 CO -0.01 -0.37 1.80 1.55 0.13 0.00 0.00 175.17 178.27 1jby h PRO 211 N 8.41 0.00 0.01 4.34 0.13 -2.03 -0.41 132.00 142.44 1jby h PRO 211 Ca -0.26 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.55 1jby h PRO 211 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1jby h PRO 211 CO 0.66 0.00 -1.94 0.09 -0.23 0.00 0.00 178.00 176.58 1jby n ASN 212 N -3.42 0.72 -4.71 1.44 3.02 -1.26 -4.87 115.26 106.17 1jby n ASN 212 Ca 0.07 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1jby n ASN 212 Cb 0.71 0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 1jby n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1jby s GLU 213 N -2.56 4.26 0.02 3.52 2.56 -0.16 -4.86 118.70 121.47 1jby s GLU 213 Ca -0.08 2.22 0.22 0.00 0.00 0.00 0.00 54.97 57.33 1jby s GLU 213 Cb 0.07 -3.26 -0.19 0.00 2.00 0.00 0.00 34.13 32.75 1jby s GLU 213 CO 0.82 -0.55 0.76 1.63 -0.56 0.00 0.00 175.26 177.36 1jby n LYS 214 N 4.21 0.42 -1.93 4.30 4.01 -1.26 -4.88 118.16 123.03 1jby n LYS 214 Ca 0.13 -0.08 -0.30 0.00 -0.51 0.00 0.00 58.31 57.55 1jby n LYS 214 Cb 0.41 -1.56 0.04 0.00 -0.51 0.00 0.00 35.03 33.40 1jby n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1jby s ARG 215 N -3.31 3.04 -0.03 1.97 0.52 -1.26 -4.97 118.95 114.90 1jby s ARG 215 Ca -0.01 0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 1jby s ARG 215 Cb 0.14 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 1jby s ARG 215 CO 0.86 -0.89 1.51 0.34 0.02 0.00 0.00 175.30 177.14 1jby s ASP 216 N -4.31 6.76 0.35 0.23 -1.08 -1.26 -4.94 116.67 112.42 1jby s ASP 216 Ca 0.57 2.15 -0.07 0.00 -0.52 0.00 0.00 52.55 54.69 1jby s ASP 216 Cb -0.11 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.83 1jby s ASP 216 CO 0.52 -0.83 0.58 0.00 0.52 0.00 0.00 175.17 175.96 1jby n HIS 217 N 6.24 -1.76 -3.71 -5.34 1.44 -1.26 0.17 115.22 111.01 1jby n HIS 217 Ca 0.15 -2.05 -0.11 0.00 -2.01 0.00 0.00 57.72 53.70 1jby n HIS 217 Cb 0.43 0.66 -0.11 0.00 0.12 0.00 0.00 29.99 31.10 1jby n HIS 217 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1jby s MET 218 N -2.50 0.41 -0.19 -1.40 1.75 -0.31 -4.97 119.30 112.09 1jby s MET 218 Ca 0.23 0.73 -0.09 0.00 -1.25 0.00 0.00 55.69 55.30 1jby s MET 218 Cb -0.02 0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.63 1jby s MET 218 CO 0.16 -0.13 0.11 0.08 -0.65 0.00 0.00 175.02 174.59 1jby s VAL 219 N 1.11 5.23 -0.04 10.11 1.01 -1.04 0.21 120.40 136.99 1jby s VAL 219 Ca -0.07 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1jby s VAL 219 Cb -0.07 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1jby s VAL 219 CO -0.09 0.46 -0.09 -0.22 0.00 0.00 0.00 175.10 175.16 1jby s LEU 220 N 0.28 1.63 -0.12 3.92 2.96 0.15 -1.07 118.68 126.43 1jby s LEU 220 Ca 0.07 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1jby s LEU 220 Cb -0.11 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.00 1jby s LEU 220 CO -0.01 0.03 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.66 1jby s LEU 221 N 0.50 1.78 -0.02 -0.68 2.96 -0.75 -0.75 118.68 121.72 1jby s LEU 221 Ca -0.08 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 1jby s LEU 221 Cb -0.12 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1jby s LEU 221 CO 0.01 0.02 0.13 -0.70 -1.32 0.00 0.00 176.35 174.49 1jby s GLU 222 N 1.00 0.37 -0.02 1.98 2.12 -0.09 -1.40 118.70 122.67 1jby s GLU 222 Ca -0.06 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.07 1jby s GLU 222 Cb -0.15 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.41 1jby s GLU 222 CO -0.02 -0.08 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.50 1jby s PHE 223 N -0.92 0.62 -0.08 5.30 0.08 -0.74 -0.55 117.98 121.69 1jby s PHE 223 Ca -0.10 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1jby s PHE 223 Cb -0.06 -0.50 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1jby s PHE 223 CO 0.01 -0.10 0.19 0.08 -0.10 0.00 0.00 175.22 175.31 1jby s VAL 224 N 0.40 -0.04 -0.04 -0.44 1.01 -0.53 -1.56 120.40 119.20 1jby s VAL 224 Ca -0.05 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1jby s VAL 224 Cb -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1jby s VAL 224 CO -0.00 0.05 0.01 -0.89 0.00 0.00 0.00 175.10 174.27 1jby s THR 225 N 0.98 0.22 0.32 3.92 2.01 -0.34 -1.09 115.64 121.65 1jby s THR 225 Ca -0.07 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1jby s THR 225 Cb -0.09 -0.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.97 1jby s THR 225 CO -0.06 0.19 1.30 0.00 -0.69 0.00 0.00 174.62 175.36 1jby s ALA 226 N 1.42 3.50 0.01 7.40 0.00 -0.35 -0.68 121.76 133.07 1jby s ALA 226 Ca -0.04 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1jby s ALA 226 Cb -0.13 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1jby s ALA 226 CO -0.03 -0.62 0.01 0.00 0.00 0.00 0.00 175.76 175.13 1jby n ALA 227 N 0.89 0.01 -0.63 0.00 0.00 0.61 -4.52 120.51 116.87 1jby n ALA 227 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jby n ALA 227 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1jby n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jby n GLY 228 N -0.02 0.68 0.00 0.00 0.00 -1.26 -2.33 105.19 102.26 1jby n GLY 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jby n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71