#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc1 h LYS 3 N 0.00 0.00 -0.94 -1.46 1.63 -1.93 -3.31 116.57 110.56 1jc1 h LYS 3 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1jc1 h LYS 3 Cb 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 1jc1 h LYS 3 CO 0.00 0.94 0.62 0.78 -3.45 0.00 0.00 179.45 178.34 1jc1 h GLY 4 N -1.00 1.36 -0.90 5.01 0.00 -1.74 -0.98 103.07 104.82 1jc1 h GLY 4 Ca -0.20 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 46.75 1jc1 h GLY 4 CO -0.12 0.42 -0.50 -2.21 0.00 0.00 0.00 176.54 174.14 1jc1 n GLU 5 N -4.47 -0.36 -0.01 4.80 2.13 -1.26 0.42 120.64 121.89 1jc1 n GLU 5 Ca 0.12 1.36 0.22 0.00 0.66 0.00 0.00 57.16 59.52 1jc1 n GLU 5 Cb 0.07 -2.01 0.56 0.00 0.27 0.00 0.00 31.44 30.33 1jc1 n GLU 5 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jc1 h GLU 6 N 0.00 0.00 0.00 5.31 4.39 -1.26 2.68 114.58 125.70 1jc1 h GLU 6 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1jc1 h GLU 6 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1jc1 h GLU 6 CO -0.85 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.28 1jc1 n LEU 7 N -3.33 0.09 -0.30 1.33 4.32 1.39 -3.17 117.00 117.34 1jc1 n LEU 7 Ca 0.13 0.52 0.04 0.00 -0.02 0.00 0.00 56.01 56.69 1jc1 n LEU 7 Cb 1.05 -0.51 0.02 0.00 -1.62 0.00 0.00 43.42 42.36 1jc1 n LEU 7 CO 0.22 -0.26 0.33 0.49 -1.22 0.00 0.00 177.39 176.95 1jc1 n PHE 8 N -1.60 0.00 -0.52 -1.77 3.72 0.90 -4.68 117.46 113.52 1jc1 n PHE 8 Ca 0.04 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.84 1jc1 n PHE 8 Cb 0.20 0.00 0.64 0.00 -0.94 0.00 0.00 39.48 39.38 1jc1 n PHE 8 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jc1 n THR 9 N 0.24 -0.08 -4.11 4.37 -2.24 -1.19 -4.38 114.28 106.89 1jc1 n THR 9 Ca 0.05 1.36 -0.09 0.00 -2.27 0.00 0.00 64.05 63.10 1jc1 n THR 9 Cb 0.20 -2.25 -0.03 0.00 -2.10 0.00 0.00 70.33 66.15 1jc1 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jc1 n GLY 10 N -1.64 3.48 3.56 3.38 0.00 -1.26 -4.83 105.19 107.88 1jc1 n GLY 10 Ca 0.36 -1.75 -0.53 0.00 0.00 0.00 0.00 46.02 44.10 1jc1 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jc1 n VAL 11 N -0.28 0.21 -4.43 1.61 0.31 -1.26 -4.77 118.33 109.73 1jc1 n VAL 11 Ca 0.03 -0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.05 1jc1 n VAL 11 Cb 0.27 -0.62 -0.17 0.00 -0.91 0.00 0.00 33.84 32.42 1jc1 n VAL 11 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jc1 s VAL 12 N 0.21 1.24 0.27 2.52 1.01 -0.40 -4.95 120.40 120.31 1jc1 s VAL 12 Ca 0.83 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1jc1 s VAL 12 Cb -1.01 -1.16 -0.13 0.00 0.00 0.00 0.00 36.38 34.09 1jc1 s VAL 12 CO 0.50 0.39 1.46 -0.81 0.00 0.00 0.00 175.10 176.64 1jc1 n PRO 13 N 4.15 2.29 -5.05 2.72 -0.04 -1.26 0.29 135.00 138.09 1jc1 n PRO 13 Ca -0.20 0.81 -0.28 0.00 -0.04 0.00 0.00 63.50 63.80 1jc1 n PRO 13 Cb 0.51 -2.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.31 1jc1 n PRO 13 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jc1 s ILE 14 N -0.19 1.69 -0.06 0.52 1.01 0.50 -0.46 121.20 124.21 1jc1 s ILE 14 Ca 0.65 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1jc1 s ILE 14 Cb -0.58 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1jc1 s ILE 14 CO 0.51 0.48 -0.05 -0.76 0.00 0.00 0.00 174.94 175.12 1jc1 s LEU 15 N -0.43 1.23 -0.01 2.97 1.43 0.53 -1.81 118.68 122.60 1jc1 s LEU 15 Ca 0.06 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1jc1 s LEU 15 Cb -0.09 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1jc1 s LEU 15 CO -0.00 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.79 1jc1 s VAL 16 N 1.18 0.26 -0.03 -1.59 1.01 0.29 0.12 120.40 121.63 1jc1 s VAL 16 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1jc1 s VAL 16 Cb -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1jc1 s VAL 16 CO -0.01 0.10 -0.09 -1.61 0.00 0.00 0.00 175.10 173.49 1jc1 s GLU 17 N 0.24 1.06 -0.03 2.72 0.41 0.11 0.36 118.70 123.57 1jc1 s GLU 17 Ca -0.02 -0.30 0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1jc1 s GLU 17 Cb -0.05 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 31.33 1jc1 s GLU 17 CO -0.01 0.08 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.55 1jc1 s LEU 18 N 0.36 1.82 -0.53 1.80 2.96 0.55 0.60 118.68 126.24 1jc1 s LEU 18 Ca -0.06 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1jc1 s LEU 18 Cb -0.10 -0.73 0.14 0.00 0.50 0.00 0.00 46.19 45.99 1jc1 s LEU 18 CO 0.01 0.10 0.34 -1.81 -1.32 0.00 0.00 176.35 173.66 1jc1 s ASP 19 N 0.17 5.23 -0.12 3.68 1.01 0.13 0.06 116.67 126.83 1jc1 s ASP 19 Ca -0.04 -2.51 -0.13 0.00 0.71 0.00 0.00 52.55 50.58 1jc1 s ASP 19 Cb -0.10 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 1jc1 s ASP 19 CO 0.01 -0.44 0.30 -0.83 0.21 0.00 0.00 175.17 174.43 1jc1 s GLY 20 N 1.16 2.26 -0.22 0.21 0.00 0.35 -1.15 107.32 109.92 1jc1 s GLY 20 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.39 1jc1 s GLY 20 CO -0.04 0.29 0.10 -0.35 0.00 0.00 0.00 173.10 173.11 1jc1 s ASP 21 N -0.02 2.91 -0.34 1.64 -1.08 -0.41 0.22 116.67 119.59 1jc1 s ASP 21 Ca 0.18 -0.93 0.03 0.00 -0.52 0.00 0.00 52.55 51.32 1jc1 s ASP 21 Cb -0.14 -0.33 0.10 0.00 -1.46 0.00 0.00 42.92 41.10 1jc1 s ASP 21 CO 0.06 -0.38 0.06 -0.69 0.52 0.00 0.00 175.17 174.74 1jc1 s VAL 22 N 2.09 2.09 -1.11 1.11 1.01 0.14 0.50 120.40 126.23 1jc1 s VAL 22 Ca 0.05 -2.24 -0.02 0.00 0.00 0.00 0.00 61.98 59.77 1jc1 s VAL 22 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1jc1 s VAL 22 CO -0.20 -0.62 0.94 0.59 0.00 0.00 0.00 175.10 175.81 1jc1 n ASN 23 N 4.31 -3.79 -0.18 3.32 3.02 1.02 -2.87 115.26 120.10 1jc1 n ASN 23 Ca 0.03 -0.64 -0.02 0.00 -0.03 0.00 0.00 54.58 53.92 1jc1 n ASN 23 Cb 0.42 -5.04 -0.01 0.00 -0.61 0.00 0.00 39.78 34.54 1jc1 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc1 n GLY 24 N -1.17 0.47 3.15 7.41 0.00 -1.26 -4.96 105.19 108.83 1jc1 n GLY 24 Ca -0.20 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1jc1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jc1 s HIS 25 N -1.73 3.08 0.15 1.61 3.76 -1.14 -5.11 115.29 115.91 1jc1 s HIS 25 Ca 0.00 -1.80 0.05 0.00 -0.15 0.00 0.00 55.06 53.17 1jc1 s HIS 25 Cb 0.00 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 1jc1 s HIS 25 CO 0.00 -0.79 0.08 0.15 -0.85 0.00 0.00 174.74 173.33 1jc1 s LYS 26 N 1.25 2.71 0.25 1.40 1.02 -1.25 0.28 119.74 125.40 1jc1 s LYS 26 Ca -0.02 -0.92 -0.22 0.00 0.02 0.00 0.00 55.97 54.84 1jc1 s LYS 26 Cb -0.17 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1jc1 s LYS 26 CO -0.06 0.49 0.74 -0.59 -0.92 0.00 0.00 175.35 175.01 1jc1 s PHE 27 N -1.66 -0.22 -0.02 3.18 -0.71 0.59 -4.95 117.98 114.18 1jc1 s PHE 27 Ca 0.29 -0.19 0.04 0.00 -1.04 0.00 0.00 56.93 56.03 1jc1 s PHE 27 Cb -0.10 0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1jc1 s PHE 27 CO 0.21 -1.14 -0.14 0.45 -1.34 0.00 0.00 175.22 173.26 1jc1 s SER 28 N -2.90 1.70 -0.06 1.98 0.15 -1.25 0.13 113.70 113.46 1jc1 s SER 28 Ca 0.10 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1jc1 s SER 28 Cb -0.05 -0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1jc1 s SER 28 CO 0.04 0.14 -0.15 -0.69 1.20 0.00 0.00 173.24 173.79 1jc1 s VAL 29 N -0.11 3.01 -0.11 4.45 1.01 0.11 0.12 120.40 128.87 1jc1 s VAL 29 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1jc1 s VAL 29 Cb -0.08 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1jc1 s VAL 29 CO 0.00 0.59 -0.20 -0.44 0.00 0.00 0.00 175.10 175.05 1jc1 s SER 30 N -0.63 3.41 -0.01 3.32 0.01 -0.59 0.20 113.70 119.41 1jc1 s SER 30 Ca 0.09 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1jc1 s SER 30 Cb -0.11 -1.48 0.02 0.00 0.21 0.00 0.00 66.02 64.65 1jc1 s SER 30 CO 0.01 0.15 0.01 -0.83 0.41 0.00 0.00 173.24 172.99 1jc1 s GLY 31 N 0.39 0.09 0.12 3.44 0.00 0.16 -0.10 107.32 111.42 1jc1 s GLY 31 Ca -0.15 0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.77 1jc1 s GLY 31 CO 0.07 0.36 -0.16 -0.54 0.00 0.00 0.00 173.10 172.83 1jc1 s GLU 32 N 0.58 1.06 0.00 2.90 8.01 -1.01 0.10 118.70 130.34 1jc1 s GLU 32 Ca -0.05 -1.21 0.00 0.00 0.01 0.00 0.00 54.97 53.72 1jc1 s GLU 32 Cb -0.07 -1.07 0.00 0.00 -4.31 0.00 0.00 34.13 28.67 1jc1 s GLU 32 CO -0.01 0.22 0.00 0.41 0.01 0.00 0.00 175.26 175.89 1jc1 n GLY 33 N 0.73 -0.41 3.34 -1.39 0.00 -0.75 0.55 105.19 107.26 1jc1 n GLY 33 Ca -0.17 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 1jc1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jc1 s GLU 34 N -2.00 0.74 -0.07 1.61 -1.05 0.23 0.19 118.70 118.34 1jc1 s GLU 34 Ca 0.00 0.14 -0.03 0.00 -0.15 0.00 0.00 54.97 54.93 1jc1 s GLU 34 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1jc1 s GLU 34 CO 0.00 -0.19 0.07 0.20 0.95 0.00 0.00 175.26 176.29 1jc1 s GLY 35 N -0.88 2.00 -0.49 -3.83 0.00 0.14 -1.93 107.32 102.32 1jc1 s GLY 35 Ca -0.09 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1jc1 s GLY 35 CO 0.05 -0.56 0.46 1.34 0.00 0.00 0.00 173.10 174.38 1jc1 n ASP 36 N 1.80 0.87 0.00 1.64 -0.08 0.13 -1.27 116.55 119.64 1jc1 n ASP 36 Ca -0.17 -2.74 0.01 0.00 -1.51 0.00 0.00 54.79 50.38 1jc1 n ASP 36 Cb 0.54 -0.63 0.07 0.00 2.34 0.00 0.00 41.12 43.44 1jc1 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jc1 n ALA 37 N 2.10 1.28 0.11 -1.67 0.00 -1.26 -0.55 120.51 120.52 1jc1 n ALA 37 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1jc1 n ALA 37 Cb 0.46 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1jc1 n ALA 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jc1 h THR 38 N 0.00 0.99 0.00 0.00 2.02 -1.86 -3.01 112.91 111.05 1jc1 h THR 38 Ca 0.00 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1jc1 h THR 38 Cb 0.03 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1jc1 h THR 38 CO 0.00 0.56 -1.13 -1.22 0.37 0.00 0.00 175.52 174.11 1jc1 n TYR 39 N -3.22 0.00 -1.23 3.16 4.01 -0.22 -4.94 117.16 114.73 1jc1 n TYR 39 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 1jc1 n TYR 39 Cb 0.79 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.69 1jc1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jc1 n GLY 40 N 1.44 0.87 3.67 2.72 0.00 0.29 -4.75 105.19 109.43 1jc1 n GLY 40 Ca 0.02 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1jc1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jc1 s LYS 41 N -2.63 2.42 -0.00 1.61 2.20 -1.06 -0.58 119.74 121.70 1jc1 s LYS 41 Ca 0.00 -1.08 -0.28 0.00 -0.36 0.00 0.00 55.97 54.24 1jc1 s LYS 41 Cb 0.00 -2.38 0.08 0.00 -1.51 0.00 0.00 37.83 34.03 1jc1 s LYS 41 CO 0.00 0.46 0.73 -0.48 -0.36 0.00 0.00 175.35 175.70 1jc1 s LEU 42 N -2.89 -0.55 0.01 5.43 0.05 -0.69 0.21 118.68 120.24 1jc1 s LEU 42 Ca 0.27 0.38 0.02 0.00 0.05 0.00 0.00 54.13 54.85 1jc1 s LEU 42 Cb -0.09 2.39 -0.01 0.00 -2.05 0.00 0.00 46.19 46.43 1jc1 s LEU 42 CO 0.19 -0.67 -0.06 0.42 -0.55 0.00 0.00 176.35 175.67 1jc1 s THR 43 N -2.14 0.48 -0.14 5.48 -4.23 -0.82 -1.06 115.64 113.21 1jc1 s THR 43 Ca -0.04 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.66 1jc1 s THR 43 Cb -0.00 -0.45 0.13 0.00 1.34 0.00 0.00 72.50 73.51 1jc1 s THR 43 CO -0.00 -0.03 1.03 -0.76 -0.54 0.00 0.00 174.62 174.31 1jc1 s LEU 44 N -0.59 -0.32 -0.16 4.79 1.43 -1.15 0.74 118.68 123.43 1jc1 s LEU 44 Ca -0.02 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1jc1 s LEU 44 Cb -0.05 1.78 -0.02 0.00 0.03 0.00 0.00 46.19 47.94 1jc1 s LEU 44 CO 0.00 -0.36 -0.09 -0.75 0.23 0.00 0.00 176.35 175.38 1jc1 s LYS 45 N -1.65 3.45 -0.40 1.70 2.20 0.19 -1.20 119.74 124.04 1jc1 s LYS 45 Ca 0.02 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.81 1jc1 s LYS 45 Cb -0.01 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.54 1jc1 s LYS 45 CO -0.02 0.13 0.53 -0.59 -0.36 0.00 0.00 175.35 175.04 1jc1 s PHE 46 N 0.60 3.14 -0.24 4.03 -0.12 0.16 -2.41 117.98 123.15 1jc1 s PHE 46 Ca -0.06 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.74 1jc1 s PHE 46 Cb -0.15 -3.05 0.02 0.00 -0.63 0.00 0.00 43.02 39.21 1jc1 s PHE 46 CO 0.03 -0.70 -0.08 0.42 -0.05 0.00 0.00 175.22 174.84 1jc1 s ILE 47 N 2.45 2.80 -0.77 -4.49 -1.09 0.86 -0.80 121.20 120.16 1jc1 s ILE 47 Ca 0.18 -0.97 -0.25 0.00 -2.23 0.00 0.00 60.65 57.37 1jc1 s ILE 47 Cb -0.15 -2.38 -0.14 0.00 -1.58 0.00 0.00 42.46 38.20 1jc1 s ILE 47 CO 0.15 0.26 2.41 -0.24 -1.23 0.00 0.00 174.94 176.29 1jc1 n SER 48 N 4.67 1.75 -0.37 3.58 2.88 0.50 -1.55 113.62 125.08 1jc1 n SER 48 Ca -0.17 -1.36 0.37 0.00 -1.33 0.00 0.00 58.87 56.37 1jc1 n SER 48 Cb 0.48 -1.62 0.74 0.00 -0.75 0.00 0.00 64.21 63.06 1jc1 n SER 48 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1jc1 h THR 49 N 7.68 0.36 -0.49 2.46 2.02 0.56 -3.38 112.91 122.12 1jc1 h THR 49 Ca -0.02 -0.01 0.19 0.00 0.77 0.00 0.00 66.41 67.34 1jc1 h THR 49 Cb 1.03 0.32 -0.21 0.00 -1.74 0.00 0.00 68.15 67.56 1jc1 h THR 49 CO 1.04 0.01 -0.01 -0.89 0.37 0.00 0.00 175.52 176.04 1jc1 s THR 50 N -4.99 -0.49 0.00 3.16 2.01 -1.24 -4.92 115.64 109.17 1jc1 s THR 50 Ca -0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1jc1 s THR 50 Cb 0.24 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.88 1jc1 s THR 50 CO 0.82 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1jc1 n GLY 51 N 5.40 -2.01 3.59 4.40 0.00 -1.26 -4.61 105.19 110.70 1jc1 n GLY 51 Ca -0.02 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1jc1 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jc1 s LYS 52 N -0.01 3.50 0.24 1.61 2.36 -1.26 -4.51 119.74 121.66 1jc1 s LYS 52 Ca 0.00 0.64 -0.28 0.00 -2.55 0.00 0.00 55.97 53.78 1jc1 s LYS 52 Cb 0.00 -4.03 -0.16 0.00 -1.05 0.00 0.00 37.83 32.59 1jc1 s LYS 52 CO 0.00 -1.67 0.74 1.28 1.55 0.00 0.00 175.35 177.25 1jc1 n LEU 53 N 8.86 0.08 0.08 5.43 4.77 -1.26 -4.82 117.00 130.14 1jc1 n LEU 53 Ca 0.14 1.15 -0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1jc1 n LEU 53 Cb 0.49 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1jc1 n LEU 53 CO 0.71 -2.29 0.11 1.55 -1.33 0.00 0.00 177.39 176.14 1jc1 h PRO 54 N 1.46 0.00 -6.06 3.23 0.13 -1.95 -3.46 132.00 125.34 1jc1 h PRO 54 Ca -0.33 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.22 1jc1 h PRO 54 Cb 1.40 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.42 1jc1 h PRO 54 CO 0.59 0.49 -0.63 0.14 -0.23 0.00 0.00 178.00 178.36 1jc1 s VAL 55 N -2.90 2.75 0.14 1.56 -7.23 -1.26 -4.55 120.40 108.91 1jc1 s VAL 55 Ca 0.01 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 1jc1 s VAL 55 Cb 0.08 -2.78 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 1jc1 s VAL 55 CO 0.78 -0.24 1.38 -2.84 -0.31 0.00 0.00 175.10 173.87 1jc1 s PRO 56 N -3.70 4.33 0.20 4.82 0.02 -1.26 -4.94 135.00 134.46 1jc1 s PRO 56 Ca 0.34 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 63.32 1jc1 s PRO 56 Cb -0.01 -3.22 0.22 0.00 0.02 0.00 0.00 34.50 31.50 1jc1 s PRO 56 CO 0.19 -0.40 1.67 -1.49 -0.33 0.00 0.00 177.00 176.65 1jc1 h TRP 57 N 6.36 -0.06 -0.98 6.54 4.06 -1.97 -0.41 115.95 129.49 1jc1 h TRP 57 Ca -0.43 0.04 0.18 0.00 2.06 0.00 0.00 58.89 60.74 1jc1 h TRP 57 Cb 1.21 0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 29.38 1jc1 h TRP 57 CO 0.65 -0.14 0.61 -1.35 -3.56 0.00 0.00 178.44 174.65 1jc1 h PRO 58 N 0.11 0.70 0.00 0.49 0.11 -1.90 0.13 132.00 131.64 1jc1 h PRO 58 Ca 0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1jc1 h PRO 58 Cb 0.42 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1jc1 h PRO 58 CO -0.46 0.47 0.00 1.79 -0.21 0.00 0.00 178.00 179.58 1jc1 h THR 59 N 0.72 0.00 0.00 -1.15 1.35 -1.46 -2.60 112.91 109.78 1jc1 h THR 59 Ca 0.54 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 1jc1 h THR 59 Cb 0.89 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1jc1 h THR 59 CO -0.32 0.00 -0.94 0.18 -0.25 0.00 0.00 175.52 174.20 1jc1 n LEU 60 N -2.43 0.63 -0.33 3.87 4.77 0.44 -4.69 117.00 119.26 1jc1 n LEU 60 Ca -0.01 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1jc1 n LEU 60 Cb 0.07 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1jc1 n LEU 60 CO 0.13 0.07 0.48 0.58 -1.33 0.00 0.00 177.39 177.32 1jc1 h VAL 61 N 0.00 0.00 -0.52 4.08 2.07 -1.46 0.96 116.25 121.39 1jc1 h VAL 61 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jc1 h VAL 61 Cb 0.68 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jc1 h VAL 61 CO 0.00 0.00 0.34 0.71 0.02 0.00 0.00 177.57 178.64 1jc1 h THR 62 N -0.01 1.00 0.22 2.57 1.35 -1.83 -2.66 112.91 113.55 1jc1 h THR 62 Ca 0.13 -0.17 -0.33 0.00 -0.55 0.00 0.00 66.41 65.48 1jc1 h THR 62 Cb 0.33 0.46 0.03 0.00 -1.73 0.00 0.00 68.15 67.24 1jc1 h THR 62 CO -0.74 0.09 -1.52 0.71 -0.25 0.00 0.00 175.52 173.81 1jc1 h THR 63 N 0.50 1.23 0.00 6.82 1.35 -1.61 -3.46 112.91 117.74 1jc1 h THR 63 Ca 0.22 -2.72 -0.02 0.00 -0.55 0.00 0.00 66.41 63.35 1jc1 h THR 63 Cb 0.24 2.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1jc1 h THR 63 CO -0.06 0.83 0.82 0.18 -0.25 0.00 0.00 175.52 177.05 1jc1 n LEU 64 N -3.65 0.24 0.00 3.87 4.77 0.24 -5.04 117.00 117.42 1jc1 n LEU 64 Ca -0.17 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1jc1 n LEU 64 Cb 1.09 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1jc1 n LEU 64 CO 0.57 -0.83 0.00 1.33 -1.33 0.00 0.00 177.39 177.13 1jc1 n VAL 68 N 4.10 0.00 0.06 4.08 0.24 -1.26 -5.03 118.33 120.51 1jc1 n VAL 68 Ca 0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.36 1jc1 n VAL 68 Cb 0.02 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.58 1jc1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jc1 n GLN 69 N 0.00 0.05 0.26 7.34 6.02 -1.26 -1.62 117.38 128.17 1jc1 n GLN 69 Ca 0.00 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.66 1jc1 n GLN 69 Cb 0.00 -1.65 0.69 0.00 1.02 0.00 0.00 30.24 30.30 1jc1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jc1 n PHE 71 N -3.57 0.00 -0.71 0.00 3.72 -0.64 -4.66 117.46 111.60 1jc1 n PHE 71 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 1jc1 n PHE 71 Cb 0.27 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.97 1jc1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jc1 s SER 72 N -1.55 2.93 -0.39 4.37 0.01 -0.93 -4.05 113.70 114.08 1jc1 s SER 72 Ca 0.25 2.21 -0.12 0.00 1.31 0.00 0.00 55.95 59.60 1jc1 s SER 72 Cb 0.12 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.81 1jc1 s SER 72 CO 0.19 -3.10 0.24 -0.60 0.41 0.00 0.00 173.24 170.39 1jc1 s ARG 73 N -4.62 2.81 -0.45 12.44 3.52 -0.93 -4.71 118.95 127.01 1jc1 s ARG 73 Ca 0.67 -1.16 -0.20 0.00 -0.13 0.00 0.00 55.73 54.92 1jc1 s ARG 73 Cb -0.23 -3.80 0.03 0.00 -1.56 0.00 0.00 34.95 29.39 1jc1 s ARG 73 CO 0.58 -0.77 0.59 0.71 -0.81 0.00 0.00 175.30 175.59 1jc1 s TYR 74 N 1.55 3.08 1.01 5.12 1.51 -1.26 -1.51 117.35 126.85 1jc1 s TYR 74 Ca 0.03 -0.23 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 1jc1 s TYR 74 Cb -0.20 -3.29 -0.18 0.00 -0.11 0.00 0.00 41.96 38.19 1jc1 s TYR 74 CO 0.06 -0.87 -1.41 -0.35 -1.11 0.00 0.00 175.55 171.88 1jc1 n PRO 75 N 6.10 -0.11 -0.10 -1.71 -0.04 -1.26 -4.75 135.00 133.13 1jc1 n PRO 75 Ca -0.04 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 1jc1 n PRO 75 Cb 0.47 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.85 1jc1 n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jc1 h ASP 76 N -1.07 0.58 0.00 3.54 5.19 -1.99 -2.51 116.42 120.16 1jc1 h ASP 76 Ca -0.40 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1jc1 h ASP 76 Cb 1.39 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1jc1 h ASP 76 CO 0.22 0.82 0.00 0.00 -3.12 0.00 0.00 179.24 177.16 1jc1 n HIS 77 N -4.48 0.00 -1.54 4.55 1.44 -1.26 -2.50 115.22 111.43 1jc1 n HIS 77 Ca -0.03 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.73 1jc1 n HIS 77 Cb 0.32 -0.01 0.07 0.00 0.12 0.00 0.00 29.99 30.50 1jc1 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1jc1 n MET 78 N -0.38 0.66 -0.16 -1.40 2.81 -0.94 -4.91 117.12 112.80 1jc1 n MET 78 Ca 0.00 -1.85 -0.03 0.00 -1.81 0.00 0.00 57.70 54.01 1jc1 n MET 78 Cb 0.02 -1.01 0.06 0.00 -0.71 0.00 0.00 33.22 31.59 1jc1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jc1 h LYS 79 N 0.04 0.37 0.00 0.03 6.56 -1.55 -2.84 116.57 119.18 1jc1 h LYS 79 Ca -0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1jc1 h LYS 79 Cb 1.21 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1jc1 h LYS 79 CO 0.00 0.24 0.00 2.89 -2.06 0.00 0.00 179.45 180.53 1jc1 n ARG 80 N -4.98 0.47 0.00 3.15 0.00 -1.26 -3.00 116.66 111.04 1jc1 n ARG 80 Ca 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.92 1jc1 n ARG 80 Cb 0.19 -1.12 -0.01 0.00 -0.00 0.00 0.00 32.46 31.52 1jc1 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1jc1 n HIS 81 N -0.62 0.00 -2.53 2.89 8.25 -1.07 -4.32 115.22 117.82 1jc1 n HIS 81 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1jc1 n HIS 81 Cb 0.01 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 1jc1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jc1 s ASP 82 N -1.13 6.27 0.04 0.41 2.15 -1.16 -4.54 116.67 118.71 1jc1 s ASP 82 Ca 0.03 -0.91 -0.21 0.00 0.43 0.00 0.00 52.55 51.90 1jc1 s ASP 82 Cb 0.04 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.96 1jc1 s ASP 82 CO 0.15 -1.72 1.40 0.15 -0.17 0.00 0.00 175.17 174.98 1jc1 h PHE 83 N 10.07 0.35 -0.75 -5.34 3.57 -1.92 -3.12 116.94 119.81 1jc1 h PHE 83 Ca -0.05 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.43 1jc1 h PHE 83 Cb 1.03 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 1jc1 h PHE 83 CO 1.20 0.64 -0.44 1.19 -2.23 0.00 0.00 178.31 178.66 1jc1 n PHE 84 N -4.65 -0.33 0.28 0.41 3.72 -1.26 -1.46 117.46 114.17 1jc1 n PHE 84 Ca -0.06 0.94 -0.17 0.00 -0.05 0.00 0.00 57.45 58.11 1jc1 n PHE 84 Cb 0.30 -0.55 -0.08 0.00 -0.94 0.00 0.00 39.48 38.20 1jc1 n PHE 84 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1jc1 h LYS 85 N 0.00 -0.81 -1.11 -1.08 1.57 -1.83 -2.87 116.57 110.44 1jc1 h LYS 85 Ca 0.12 0.06 0.41 0.00 -1.87 0.00 0.00 60.65 59.37 1jc1 h LYS 85 Cb 0.31 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 32.64 1jc1 h LYS 85 CO -0.71 -0.54 0.65 0.66 -0.57 0.00 0.00 179.45 178.94 1jc1 h SER 86 N -0.84 0.33 0.00 0.86 4.64 -1.34 2.05 113.55 119.25 1jc1 h SER 86 Ca -0.05 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1jc1 h SER 86 Cb 0.72 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jc1 h SER 86 CO -0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 1jc1 n ALA 87 N -2.35 2.05 -2.82 5.18 0.00 -0.54 -4.68 120.51 117.35 1jc1 n ALA 87 Ca 0.37 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1jc1 n ALA 87 Cb 1.29 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 1jc1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jc1 s MET 88 N -2.00 3.47 -0.21 0.00 1.00 0.69 0.26 119.30 122.51 1jc1 s MET 88 Ca 0.19 -0.52 0.13 0.00 0.00 0.00 0.00 55.69 55.48 1jc1 s MET 88 Cb 0.09 -2.81 0.75 0.00 0.00 0.00 0.00 34.83 32.86 1jc1 s MET 88 CO 0.14 0.34 1.64 -0.35 0.00 0.00 0.00 175.02 176.79 1jc1 n PRO 89 N -1.33 4.56 0.20 2.03 -0.04 -1.26 -4.09 135.00 135.07 1jc1 n PRO 89 Ca -0.07 -2.88 0.08 0.00 -0.04 0.00 0.00 63.50 60.59 1jc1 n PRO 89 Cb 0.56 -2.20 0.27 0.00 -0.04 0.00 0.00 33.50 32.09 1jc1 n PRO 89 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1jc1 h GLU 90 N 3.67 0.00 0.00 0.54 9.09 -1.84 -0.26 114.58 125.78 1jc1 h GLU 90 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jc1 h GLU 90 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 1jc1 h GLU 90 CO 0.45 0.26 0.00 0.41 0.05 0.00 0.00 179.01 180.18 1jc1 n GLY 91 N 0.68 0.23 3.83 1.06 0.00 0.72 -4.46 105.19 107.24 1jc1 n GLY 91 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 1jc1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jc1 s TYR 92 N 0.00 -0.03 -0.07 1.61 -0.85 0.23 -1.72 117.35 116.53 1jc1 s TYR 92 Ca 0.00 -0.48 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 1jc1 s TYR 92 Cb 0.00 0.74 -0.02 0.00 0.38 0.00 0.00 41.96 43.07 1jc1 s TYR 92 CO 0.00 -1.24 -0.18 0.08 -1.52 0.00 0.00 175.55 172.69 1jc1 s VAL 93 N -2.95 2.72 -0.15 -3.49 1.01 1.47 -0.93 120.40 118.07 1jc1 s VAL 93 Ca 0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1jc1 s VAL 93 Cb -0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1jc1 s VAL 93 CO 0.08 0.57 -0.11 -1.58 0.00 0.00 0.00 175.10 174.06 1jc1 s GLN 94 N -0.30 3.41 -0.16 2.72 0.74 -0.94 0.84 119.66 125.98 1jc1 s GLN 94 Ca 0.02 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1jc1 s GLN 94 Cb -0.13 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.24 1jc1 s GLN 94 CO 0.03 0.15 -0.06 -1.83 -0.55 0.00 0.00 175.29 173.02 1jc1 s GLU 95 N 0.54 3.53 0.04 1.67 4.04 1.46 -2.60 118.70 127.38 1jc1 s GLU 95 Ca -0.07 -0.59 0.03 0.00 0.04 0.00 0.00 54.97 54.38 1jc1 s GLU 95 Cb -0.15 -2.86 -0.02 0.00 0.02 0.00 0.00 34.13 31.11 1jc1 s GLU 95 CO 0.03 0.14 -0.08 1.03 -1.84 0.00 0.00 175.26 174.54 1jc1 s ARG 96 N 0.61 0.56 -0.24 -4.83 0.52 0.20 0.30 118.95 116.08 1jc1 s ARG 96 Ca -0.04 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1jc1 s ARG 96 Cb -0.15 -0.41 0.03 0.00 0.52 0.00 0.00 34.95 34.95 1jc1 s ARG 96 CO 0.03 0.09 -0.11 -0.08 0.02 0.00 0.00 175.30 175.24 1jc1 s THR 97 N -1.11 2.48 -0.22 0.02 -1.32 0.55 -0.25 115.64 115.79 1jc1 s THR 97 Ca -0.06 -1.18 -0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1jc1 s THR 97 Cb -0.08 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.65 1jc1 s THR 97 CO 0.01 0.22 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.91 1jc1 s ILE 98 N 1.25 2.85 -0.30 5.08 -1.09 0.48 -2.54 121.20 126.94 1jc1 s ILE 98 Ca -0.01 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1jc1 s ILE 98 Cb -0.17 -2.33 0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1jc1 s ILE 98 CO -0.07 0.38 0.00 -0.36 -1.23 0.00 0.00 174.94 173.67 1jc1 s PHE 99 N 1.38 3.23 -0.43 3.97 0.40 -1.01 0.39 117.98 125.90 1jc1 s PHE 99 Ca 0.04 -1.74 -0.28 0.00 -0.60 0.00 0.00 56.93 54.35 1jc1 s PHE 99 Cb -0.15 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1jc1 s PHE 99 CO -0.06 -0.78 1.05 -0.06 0.70 0.00 0.00 175.22 176.07 1jc1 s PHE 100 N 1.29 2.93 0.06 0.36 0.40 -0.74 -1.48 117.98 120.80 1jc1 s PHE 100 Ca -0.04 0.73 -0.23 0.00 -0.60 0.00 0.00 56.93 56.80 1jc1 s PHE 100 Cb -0.19 -4.11 -0.12 0.00 0.51 0.00 0.00 43.02 39.11 1jc1 s PHE 100 CO -0.01 -1.09 0.53 1.17 0.70 0.00 0.00 175.22 176.52 1jc1 n LYS 101 N 7.39 0.00 -4.06 0.44 3.00 -0.61 -0.48 118.16 123.84 1jc1 n LYS 101 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.09 1jc1 n LYS 101 Cb 0.48 -0.83 -0.00 0.00 0.00 0.00 0.00 35.03 34.68 1jc1 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jc1 n ASP 102 N 1.14 -3.46 0.00 3.14 8.00 -1.26 -4.84 116.55 119.27 1jc1 n ASP 102 Ca 0.13 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1jc1 n ASP 102 Cb 0.11 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 1jc1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jc1 n ASP 103 N -2.78 0.00 -2.08 -2.24 -0.08 0.37 -4.95 116.55 104.79 1jc1 n ASP 103 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1jc1 n ASP 103 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1jc1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jc1 n GLY 104 N 0.00 -0.91 3.15 0.27 0.00 -1.24 -4.65 105.19 101.81 1jc1 n GLY 104 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 1jc1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc1 s ASN 105 N -1.00 0.95 0.09 1.61 4.22 -0.89 -1.80 114.94 118.12 1jc1 s ASN 105 Ca 0.00 -1.02 0.08 0.00 -2.14 0.00 0.00 52.86 49.78 1jc1 s ASN 105 Cb 0.00 0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.62 1jc1 s ASN 105 CO 0.00 -0.51 -0.16 -0.31 -2.04 0.00 0.00 177.10 174.08 1jc1 s TYR 106 N -3.72 2.61 -0.07 1.54 2.02 1.26 -2.68 117.35 118.31 1jc1 s TYR 106 Ca 0.12 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1jc1 s TYR 106 Cb 0.06 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1jc1 s TYR 106 CO -0.05 0.36 -0.12 0.15 -1.57 0.00 0.00 175.55 174.31 1jc1 s LYS 107 N -1.93 1.71 -0.01 -0.62 1.02 0.11 0.18 119.74 120.20 1jc1 s LYS 107 Ca 0.18 -0.40 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 1jc1 s LYS 107 Cb -0.11 -1.44 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 1jc1 s LYS 107 CO 0.09 -0.00 0.16 0.95 -0.92 0.00 0.00 175.35 175.63 1jc1 s THR 108 N 0.78 0.07 -0.09 2.17 -4.23 0.65 0.11 115.64 115.09 1jc1 s THR 108 Ca -0.12 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1jc1 s THR 108 Cb -0.15 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.29 1jc1 s THR 108 CO 0.02 -0.32 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.58 1jc1 s ARG 109 N -1.17 1.43 0.01 3.99 0.52 -0.53 -0.63 118.95 122.58 1jc1 s ARG 109 Ca -0.13 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1jc1 s ARG 109 Cb -0.07 -1.41 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 1jc1 s ARG 109 CO 0.02 -0.17 -0.00 0.00 0.02 0.00 0.00 175.30 175.17 1jc1 s ALA 110 N 1.34 0.03 -0.09 2.13 0.00 -1.07 -0.66 121.76 123.45 1jc1 s ALA 110 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 1jc1 s ALA 110 Cb -0.14 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1jc1 s ALA 110 CO -0.04 -0.11 -0.05 -1.21 0.00 0.00 0.00 175.76 174.35 1jc1 s GLU 111 N -0.91 2.97 -0.14 0.00 2.02 0.24 -2.20 118.70 120.68 1jc1 s GLU 111 Ca -0.10 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1jc1 s GLU 111 Cb -0.06 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.53 1jc1 s GLU 111 CO -0.00 0.58 0.02 0.14 0.02 0.00 0.00 175.26 176.02 1jc1 s VAL 112 N -0.58 0.46 0.07 2.63 -7.23 -0.11 0.50 120.40 116.14 1jc1 s VAL 112 Ca 0.09 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 59.74 1jc1 s VAL 112 Cb -0.12 -0.81 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1jc1 s VAL 112 CO 0.02 0.01 0.83 -0.54 -0.31 0.00 0.00 175.10 175.10 1jc1 s LYS 113 N 1.91 1.03 0.25 4.82 1.02 -1.12 -0.60 119.74 127.05 1jc1 s LYS 113 Ca 0.02 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1jc1 s LYS 113 Cb -0.15 0.44 -0.09 0.00 -0.52 0.00 0.00 37.83 37.51 1jc1 s LYS 113 CO -0.07 -0.46 1.00 -0.06 -0.92 0.00 0.00 175.35 174.85 1jc1 s PHE 114 N -3.33 3.82 -0.94 3.18 0.08 -0.11 -3.18 117.98 117.51 1jc1 s PHE 114 Ca 0.06 1.83 -0.01 0.00 0.12 0.00 0.00 56.93 58.92 1jc1 s PHE 114 Cb -0.01 -3.10 0.29 0.00 -0.57 0.00 0.00 43.02 39.63 1jc1 s PHE 114 CO -0.07 0.05 1.26 0.39 -0.10 0.00 0.00 175.22 176.75 1jc1 n GLU 115 N 1.45 3.90 0.00 0.44 -0.58 -0.82 -4.91 120.64 120.11 1jc1 n GLU 115 Ca -0.01 -4.60 0.00 0.00 -0.42 0.00 0.00 57.16 52.13 1jc1 n GLU 115 Cb 0.46 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1jc1 n GLU 115 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jc1 n GLY 116 N 1.15 1.90 0.05 0.62 0.00 -1.26 -3.12 105.19 104.54 1jc1 n GLY 116 Ca 0.27 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.38 1jc1 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jc1 n ASP 117 N 7.06 0.34 -4.96 1.61 5.75 -1.26 -4.94 116.55 120.15 1jc1 n ASP 117 Ca 0.00 0.13 -0.23 0.00 -0.01 0.00 0.00 54.79 54.69 1jc1 n ASP 117 Cb 0.00 1.34 -0.02 0.00 -1.03 0.00 0.00 41.12 41.41 1jc1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1jc1 s THR 118 N -3.41 5.25 -0.26 2.12 2.01 -1.18 -4.41 115.64 115.76 1jc1 s THR 118 Ca -0.05 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1jc1 s THR 118 Cb 0.12 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1jc1 s THR 118 CO 0.86 -0.31 0.05 -0.22 -0.69 0.00 0.00 174.62 174.32 1jc1 s LEU 119 N -3.85 3.50 -0.18 4.42 2.96 0.40 -1.95 118.68 123.98 1jc1 s LEU 119 Ca 0.35 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1jc1 s LEU 119 Cb -0.10 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1jc1 s LEU 119 CO 0.30 -0.10 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.52 1jc1 s VAL 120 N 1.54 3.91 -0.40 1.68 1.01 -1.19 0.20 120.40 127.15 1jc1 s VAL 120 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1jc1 s VAL 120 Cb -0.16 -2.74 0.10 0.00 0.00 0.00 0.00 36.38 33.58 1jc1 s VAL 120 CO 0.02 0.46 0.20 0.21 0.00 0.00 0.00 175.10 175.99 1jc1 s ASN 121 N 0.69 5.33 -0.47 3.32 3.84 0.33 -2.81 114.94 125.17 1jc1 s ASN 121 Ca -0.01 -1.80 -0.18 0.00 0.21 0.00 0.00 52.86 51.08 1jc1 s ASN 121 Cb -0.14 -1.86 0.05 0.00 -0.55 0.00 0.00 41.25 38.74 1jc1 s ASN 121 CO 0.02 -0.52 0.50 -0.13 -2.79 0.00 0.00 177.10 174.18 1jc1 s ARG 122 N 1.24 3.08 0.01 0.43 1.81 0.18 0.09 118.95 125.79 1jc1 s ARG 122 Ca 0.05 -0.97 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1jc1 s ARG 122 Cb -0.23 -4.06 -0.01 0.00 -0.45 0.00 0.00 34.95 30.20 1jc1 s ARG 122 CO -0.02 -1.05 -0.13 0.42 -0.68 0.00 0.00 175.30 173.85 1jc1 s ILE 123 N 2.20 1.01 -0.19 1.52 1.09 0.20 0.81 121.20 127.84 1jc1 s ILE 123 Ca 0.11 -0.72 0.01 0.00 -1.10 0.00 0.00 60.65 58.96 1jc1 s ILE 123 Cb -0.20 -0.87 0.03 0.00 -1.06 0.00 0.00 42.46 40.36 1jc1 s ILE 123 CO 0.11 0.15 -0.15 -1.83 -0.10 0.00 0.00 174.94 173.12 1jc1 s GLU 124 N -0.64 2.50 -0.14 2.79 1.03 0.16 0.22 118.70 124.62 1jc1 s GLU 124 Ca 0.03 -0.84 0.01 0.00 0.03 0.00 0.00 54.97 54.20 1jc1 s GLU 124 Cb -0.06 -2.47 -0.00 0.00 -0.80 0.00 0.00 34.13 30.79 1jc1 s GLU 124 CO 0.00 -0.32 -0.17 -1.17 -1.33 0.00 0.00 175.26 172.28 1jc1 s LEU 125 N 1.33 2.43 -0.60 1.83 2.96 -0.30 -1.45 118.68 124.88 1jc1 s LEU 125 Ca 0.02 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 1jc1 s LEU 125 Cb -0.15 -1.54 0.15 0.00 0.50 0.00 0.00 46.19 45.16 1jc1 s LEU 125 CO -0.10 0.11 0.48 -1.59 -1.32 0.00 0.00 176.35 173.93 1jc1 s LYS 126 N 0.65 2.79 -0.26 1.98 0.00 0.29 -1.28 119.74 123.92 1jc1 s LYS 126 Ca -0.09 -2.13 -0.08 0.00 0.00 0.00 0.00 55.97 53.67 1jc1 s LYS 126 Cb -0.16 -4.01 -0.03 0.00 0.00 0.00 0.00 37.83 33.62 1jc1 s LYS 126 CO 0.02 -1.22 0.10 0.20 0.00 0.00 0.00 175.35 174.45 1jc1 s GLY 127 N 2.08 1.80 0.19 0.59 0.00 0.18 0.04 107.32 112.20 1jc1 s GLY 127 Ca 0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 1jc1 s GLY 127 CO -0.03 0.56 0.16 -0.26 0.00 0.00 0.00 173.10 173.53 1jc1 s ILE 128 N 1.65 0.02 -1.44 0.90 -5.25 -1.09 0.33 121.20 116.33 1jc1 s ILE 128 Ca 0.06 -1.89 0.00 0.00 -0.99 0.00 0.00 60.65 57.83 1jc1 s ILE 128 Cb -0.15 -2.35 0.00 0.00 2.95 0.00 0.00 42.46 42.91 1jc1 s ILE 128 CO 0.05 -0.10 0.00 0.47 -1.79 0.00 0.00 174.94 173.57 1jc1 n ASP 129 N -0.24 -4.45 -4.73 4.36 8.00 -1.26 -2.10 116.55 116.12 1jc1 n ASP 129 Ca -0.00 0.33 -0.40 0.00 0.71 0.00 0.00 54.79 55.43 1jc1 n ASP 129 Cb 0.65 -3.77 -0.05 0.00 -0.02 0.00 0.00 41.12 37.94 1jc1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jc1 s PHE 130 N -2.11 3.65 0.20 1.24 0.40 -1.26 -3.64 117.98 116.46 1jc1 s PHE 130 Ca 0.00 1.36 -0.32 0.00 -0.60 0.00 0.00 56.93 57.37 1jc1 s PHE 130 Cb 0.00 -2.82 -0.15 0.00 0.51 0.00 0.00 43.02 40.56 1jc1 s PHE 130 CO 0.00 0.17 1.29 1.63 0.70 0.00 0.00 175.22 179.01 1jc1 n LYS 131 N 3.36 1.59 -0.12 0.44 4.01 -1.26 -4.88 118.16 121.30 1jc1 n LYS 131 Ca -0.01 0.57 0.12 0.00 -0.51 0.00 0.00 58.31 58.47 1jc1 n LYS 131 Cb 0.51 -2.15 0.20 0.00 -0.51 0.00 0.00 35.03 33.08 1jc1 n LYS 131 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1jc1 n GLU 132 N 1.95 2.39 0.02 1.97 -0.58 -1.26 -3.28 120.64 121.85 1jc1 n GLU 132 Ca 0.14 -2.07 -0.09 0.00 -0.42 0.00 0.00 57.16 54.71 1jc1 n GLU 132 Cb 0.28 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.52 1jc1 n GLU 132 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1jc1 h ASP 133 N 4.36 0.05 -3.35 1.62 3.04 -1.93 -3.36 116.42 116.85 1jc1 h ASP 133 Ca 0.00 -0.07 -0.53 0.00 -3.24 0.00 0.00 57.03 53.19 1jc1 h ASP 133 Cb 0.95 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 39.23 1jc1 h ASP 133 CO 0.00 1.06 0.54 -0.83 -2.04 0.00 0.00 179.24 177.97 1jc1 s GLY 134 N -4.94 2.57 0.00 7.15 0.00 -1.21 -4.39 107.32 106.51 1jc1 s GLY 134 Ca -0.03 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1jc1 s GLY 134 CO 0.83 1.91 0.00 0.70 0.00 0.00 0.00 173.10 176.54 1jc1 n ASN 135 N 3.19 0.00 0.00 1.64 4.13 -1.26 -0.58 115.26 122.37 1jc1 n ASN 135 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1jc1 n ASN 135 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1jc1 n ASN 135 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1jc1 n ILE 136 N 0.00 0.00 -0.01 2.41 5.41 -1.26 0.32 119.36 126.23 1jc1 n ILE 136 Ca 0.00 0.56 0.15 0.00 1.00 0.00 0.00 62.75 64.46 1jc1 n ILE 136 Cb 0.00 -1.47 0.60 0.00 -0.71 0.00 0.00 39.64 38.06 1jc1 n ILE 136 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jc1 h LEU 137 N 0.00 0.17 -0.06 1.39 3.38 -1.42 2.40 115.31 121.16 1jc1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jc1 h LEU 137 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jc1 h LEU 137 CO 0.00 0.10 -0.03 0.61 0.09 0.00 0.00 178.44 179.21 1jc1 n GLY 138 N -1.57 -1.16 3.61 0.83 0.00 0.25 -4.93 105.19 102.22 1jc1 n GLY 138 Ca 0.08 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1jc1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jc1 n HIS 139 N -1.16 -2.00 0.79 1.61 8.25 0.81 -4.84 115.22 118.67 1jc1 n HIS 139 Ca 0.16 0.63 0.09 0.00 -0.26 0.00 0.00 57.72 58.34 1jc1 n HIS 139 Cb 0.24 -3.79 0.08 0.00 1.12 0.00 0.00 29.99 27.63 1jc1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jc1 n LYS 140 N -4.02 1.61 -3.00 -0.41 4.01 0.95 -4.98 118.16 112.32 1jc1 n LYS 140 Ca -0.14 -1.59 -0.26 0.00 -0.51 0.00 0.00 58.31 55.80 1jc1 n LYS 140 Cb 0.62 -1.36 -0.01 0.00 -0.51 0.00 0.00 35.03 33.77 1jc1 n LYS 140 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1jc1 s LEU 141 N -1.59 3.83 0.72 -0.35 2.34 -1.25 -0.47 118.68 121.91 1jc1 s LEU 141 Ca 0.22 0.74 -0.11 0.00 0.06 0.00 0.00 54.13 55.04 1jc1 s LEU 141 Cb 0.16 -3.64 0.03 0.00 -0.56 0.00 0.00 46.19 42.17 1jc1 s LEU 141 CO 0.24 -0.42 1.08 -1.61 -1.06 0.00 0.00 176.35 174.59 1jc1 s GLU 142 N -4.38 2.60 -1.41 1.48 2.02 0.15 -4.76 118.70 114.40 1jc1 s GLU 142 Ca 0.45 1.12 -0.15 0.00 0.02 0.00 0.00 54.97 56.41 1jc1 s GLU 142 Cb -0.10 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.25 1jc1 s GLU 142 CO 0.39 -1.37 2.08 0.98 0.02 0.00 0.00 175.26 177.36 1jc1 n TYR 143 N -3.18 3.78 -3.39 1.61 9.36 -1.26 -4.83 117.16 119.25 1jc1 n TYR 143 Ca 0.09 -2.94 0.00 0.00 3.32 0.00 0.00 57.90 58.36 1jc1 n TYR 143 Cb 0.53 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 1jc1 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jc1 n ASN 144 N 6.45 0.00 -3.64 2.98 0.23 -1.26 -4.89 115.26 115.13 1jc1 n ASN 144 Ca 0.50 -0.98 -0.03 0.00 -0.53 0.00 0.00 54.58 53.54 1jc1 n ASN 144 Cb 0.40 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.04 1jc1 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jc1 s TYR 145 N -6.07 -0.65 0.73 -2.53 5.04 -1.26 -4.86 117.35 107.74 1jc1 s TYR 145 Ca 0.00 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1jc1 s TYR 145 Cb 0.00 0.39 0.12 0.00 0.35 0.00 0.00 41.96 42.83 1jc1 s TYR 145 CO 0.00 -0.32 1.00 -0.80 -1.34 0.00 0.00 175.55 174.09 1jc1 s ASN 146 N 1.36 4.33 0.31 4.32 0.01 -1.26 -4.58 114.94 119.43 1jc1 s ASN 146 Ca -0.09 -0.27 -0.16 0.00 -0.71 0.00 0.00 52.86 51.63 1jc1 s ASN 146 Cb -0.04 -0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.41 1jc1 s ASN 146 CO -0.15 -1.87 0.74 0.00 -1.51 0.00 0.00 177.10 174.31 1jc1 s HIS 148 N -1.92 -0.17 -0.21 0.00 0.09 0.11 -4.97 115.29 108.22 1jc1 s HIS 148 Ca 0.53 0.10 -0.12 0.00 -0.00 0.00 0.00 55.06 55.57 1jc1 s HIS 148 Cb -0.11 0.14 -0.05 0.00 -0.00 0.00 0.00 32.58 32.56 1jc1 s HIS 148 CO 0.18 -0.51 0.23 -0.80 -0.00 0.00 0.00 174.74 173.83 1jc1 s ASN 149 N -1.94 6.26 -0.41 1.40 0.02 -1.26 -0.41 114.94 118.60 1jc1 s ASN 149 Ca -0.06 0.29 -0.03 0.00 -1.02 0.00 0.00 52.86 52.04 1jc1 s ASN 149 Cb -0.01 -2.14 0.11 0.00 0.02 0.00 0.00 41.25 39.22 1jc1 s ASN 149 CO -0.02 0.07 0.20 -0.69 0.02 0.00 0.00 177.10 176.68 1jc1 s VAL 150 N 0.84 3.36 -0.14 1.60 1.01 -0.10 -4.66 120.40 122.31 1jc1 s VAL 150 Ca 0.12 -1.98 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 1jc1 s VAL 150 Cb -0.13 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1jc1 s VAL 150 CO 0.04 -0.65 1.44 -0.31 0.00 0.00 0.00 175.10 175.61 1jc1 s TYR 151 N 1.17 2.45 0.00 5.22 2.02 -1.04 -0.45 117.35 126.72 1jc1 s TYR 151 Ca 0.07 0.66 0.08 0.00 -0.37 0.00 0.00 57.07 57.51 1jc1 s TYR 151 Cb -0.23 -3.73 -0.02 0.00 -0.40 0.00 0.00 41.96 37.58 1jc1 s TYR 151 CO -0.04 -2.59 -0.24 0.42 -1.57 0.00 0.00 175.55 171.53 1jc1 s ILE 152 N 3.93 2.28 0.03 2.71 1.01 0.13 -1.37 121.20 129.92 1jc1 s ILE 152 Ca 0.63 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1jc1 s ILE 152 Cb -0.26 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1jc1 s ILE 152 CO 0.22 0.49 0.35 0.00 0.00 0.00 0.00 174.94 176.00 1jc1 s MET 153 N -0.91 0.82 0.30 2.79 0.23 0.14 -2.41 119.30 120.26 1jc1 s MET 153 Ca 0.11 -0.36 -0.28 0.00 -1.03 0.00 0.00 55.69 54.13 1jc1 s MET 153 Cb -0.10 0.36 -0.09 0.00 -1.53 0.00 0.00 34.83 33.47 1jc1 s MET 153 CO 0.01 -0.26 1.01 0.00 -2.03 0.00 0.00 175.02 173.75 1jc1 s ALA 154 N -2.20 3.28 -0.64 3.16 0.00 -1.25 0.47 121.76 124.58 1jc1 s ALA 154 Ca -0.07 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1jc1 s ALA 154 Cb -0.02 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 20.00 1jc1 s ALA 154 CO -0.01 0.00 0.41 0.34 0.00 0.00 0.00 175.76 176.51 1jc1 s ASP 155 N -1.26 4.69 0.00 0.00 2.15 0.66 -4.52 116.67 118.40 1jc1 s ASP 155 Ca 0.47 -3.47 0.00 0.00 0.43 0.00 0.00 52.55 49.98 1jc1 s ASP 155 Cb -0.25 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1jc1 s ASP 155 CO 0.32 -0.16 0.83 2.29 -0.17 0.00 0.00 175.17 178.28 1jc1 n LYS 156 N 2.50 0.00 0.00 4.34 2.85 -1.26 -1.53 118.16 125.07 1jc1 n LYS 156 Ca 0.13 0.77 0.00 0.00 -1.05 0.00 0.00 58.31 58.17 1jc1 n LYS 156 Cb 0.34 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1jc1 n LYS 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jc1 n GLN 157 N -2.22 0.00 0.00 -1.58 -0.00 -1.26 0.42 117.38 112.74 1jc1 n GLN 157 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.15 1jc1 n GLN 157 Cb 0.00 0.00 0.70 0.00 -0.00 0.00 0.00 30.24 30.94 1jc1 n GLN 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jc1 n LYS 158 N -3.99 0.67 -0.57 2.61 4.01 -0.58 -4.90 118.16 115.41 1jc1 n LYS 158 Ca 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1jc1 n LYS 158 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1jc1 n LYS 158 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1jc1 n ASN 159 N -1.03 -1.72 0.00 4.39 4.13 1.42 -4.88 115.26 117.57 1jc1 n ASN 159 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1jc1 n ASN 159 Cb 0.25 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1jc1 n ASN 159 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc1 n GLY 160 N -2.57 1.34 3.10 7.41 0.00 -0.74 -4.18 105.19 109.54 1jc1 n GLY 160 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1jc1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jc1 s ILE 161 N 1.46 0.66 -0.30 -0.61 -4.36 -0.24 0.24 121.20 118.05 1jc1 s ILE 161 Ca 0.00 -1.29 -0.09 0.00 -0.26 0.00 0.00 60.65 59.01 1jc1 s ILE 161 Cb 0.00 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1jc1 s ILE 161 CO 0.00 -0.46 0.13 -0.54 0.24 0.00 0.00 174.94 174.31 1jc1 s LYS 162 N -2.06 3.38 -0.07 0.37 3.01 1.70 -1.78 119.74 124.30 1jc1 s LYS 162 Ca -0.04 -0.68 0.04 0.00 -1.01 0.00 0.00 55.97 54.28 1jc1 s LYS 162 Cb -0.07 -3.50 0.00 0.00 -1.01 0.00 0.00 37.83 33.25 1jc1 s LYS 162 CO -0.00 -0.37 -0.19 0.08 0.51 0.00 0.00 175.35 175.38 1jc1 s VAL 163 N 1.60 1.61 0.04 3.17 1.01 -0.08 0.26 120.40 128.02 1jc1 s VAL 163 Ca 0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1jc1 s VAL 163 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1jc1 s VAL 163 CO 0.05 0.46 0.09 0.54 0.00 0.00 0.00 175.10 176.25 1jc1 s ASN 164 N 0.23 0.18 -0.01 3.32 2.20 -0.47 -0.19 114.94 120.20 1jc1 s ASN 164 Ca -0.10 -0.54 -0.30 0.00 -0.94 0.00 0.00 52.86 50.98 1jc1 s ASN 164 Cb -0.15 0.23 0.10 0.00 -2.00 0.00 0.00 41.25 39.44 1jc1 s ASN 164 CO 0.05 -0.51 1.05 0.72 -2.94 0.00 0.00 177.10 175.46 1jc1 s PHE 165 N -2.62 -0.19 -0.23 1.54 -0.71 -0.90 -2.49 117.98 112.38 1jc1 s PHE 165 Ca -0.05 0.03 -0.03 0.00 -1.04 0.00 0.00 56.93 55.85 1jc1 s PHE 165 Cb -0.01 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.37 1jc1 s PHE 165 CO -0.05 -0.49 -0.07 0.15 -1.34 0.00 0.00 175.22 173.43 1jc1 s LYS 166 N -2.88 3.12 -0.04 1.99 1.02 -1.26 -0.18 119.74 121.51 1jc1 s LYS 166 Ca 0.09 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 1jc1 s LYS 166 Cb -0.00 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1jc1 s LYS 166 CO -0.04 -0.28 0.32 0.42 -0.92 0.00 0.00 175.35 174.85 1jc1 s ILE 167 N 1.40 5.18 -0.31 2.17 -1.09 0.63 -4.92 121.20 124.26 1jc1 s ILE 167 Ca 0.04 0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 59.04 1jc1 s ILE 167 Cb -0.15 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1jc1 s ILE 167 CO -0.05 0.59 0.06 -0.13 -1.23 0.00 0.00 174.94 174.18 1jc1 s ARG 168 N -1.07 2.72 -0.16 2.79 0.52 -1.26 -0.63 118.95 121.85 1jc1 s ARG 168 Ca 0.21 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1jc1 s ARG 168 Cb -0.15 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 1jc1 s ARG 168 CO 0.10 -0.57 0.16 -1.01 0.02 0.00 0.00 175.30 174.00 1jc1 s HIS 169 N 1.39 3.49 -0.15 -0.53 3.76 -0.56 -4.45 115.29 118.24 1jc1 s HIS 169 Ca -0.01 0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 1jc1 s HIS 169 Cb -0.19 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 1jc1 s HIS 169 CO 0.01 0.45 1.26 -0.80 -0.85 0.00 0.00 174.74 174.81 1jc1 s ASN 170 N -0.14 6.96 0.35 1.40 -0.87 -1.26 -0.30 114.94 121.07 1jc1 s ASN 170 Ca 0.12 1.72 -0.14 0.00 -1.57 0.00 0.00 52.86 52.99 1jc1 s ASN 170 Cb -0.12 -2.54 -0.08 0.00 -0.02 0.00 0.00 41.25 38.49 1jc1 s ASN 170 CO 0.01 -0.74 0.75 -0.63 -2.57 0.00 0.00 177.10 173.92 1jc1 s ILE 171 N 3.29 4.71 0.43 0.60 -1.09 1.36 0.32 121.20 130.82 1jc1 s ILE 171 Ca 0.55 0.85 0.19 0.00 -2.23 0.00 0.00 60.65 60.01 1jc1 s ILE 171 Cb -0.22 -3.64 0.39 0.00 -1.58 0.00 0.00 42.46 37.40 1jc1 s ILE 171 CO 0.16 -0.28 1.86 -0.33 -1.23 0.00 0.00 174.94 175.11 1jc1 h GLU 172 N 1.96 0.36 -0.01 2.79 4.39 -1.01 0.32 114.58 123.38 1jc1 h GLU 172 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1jc1 h GLU 172 Cb 1.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1jc1 h GLU 172 CO 0.65 0.24 0.00 -0.40 -1.16 0.00 0.00 179.01 178.34 1jc1 n ASP 173 N -4.49 0.48 0.00 1.42 5.75 -1.26 -4.80 116.55 113.65 1jc1 n ASP 173 Ca 0.19 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1jc1 n ASP 173 Cb 0.72 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1jc1 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jc1 n GLY 174 N 1.04 0.76 3.98 6.12 0.00 0.11 -5.05 105.19 112.15 1jc1 n GLY 174 Ca 0.22 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1jc1 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jc1 s SER 175 N -2.09 4.90 -0.01 1.61 1.04 -1.13 -4.78 113.70 113.25 1jc1 s SER 175 Ca 0.00 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.37 1jc1 s SER 175 Cb 0.00 -0.56 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 1jc1 s SER 175 CO 0.00 -1.44 -0.19 -0.69 0.98 0.00 0.00 173.24 171.90 1jc1 s VAL 176 N -2.93 1.52 -0.23 5.02 1.01 -1.26 0.41 120.40 123.94 1jc1 s VAL 176 Ca 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1jc1 s VAL 176 Cb -0.08 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1jc1 s VAL 176 CO 0.41 0.39 -0.12 -1.58 0.00 0.00 0.00 175.10 174.20 1jc1 s GLN 177 N -0.55 2.74 0.44 2.72 2.00 0.59 -4.86 119.66 122.73 1jc1 s GLN 177 Ca 0.07 -1.02 -0.24 0.00 -2.00 0.00 0.00 55.36 52.17 1jc1 s GLN 177 Cb -0.08 -2.83 -0.08 0.00 0.80 0.00 0.00 33.01 30.83 1jc1 s GLN 177 CO -0.00 -0.38 1.24 -1.17 -0.50 0.00 0.00 175.29 174.48 1jc1 s LEU 178 N 1.26 4.11 -0.32 3.68 2.96 -1.26 -1.50 118.68 127.61 1jc1 s LEU 178 Ca -0.01 2.50 -0.02 0.00 -0.22 0.00 0.00 54.13 56.39 1jc1 s LEU 178 Cb -0.16 -4.07 0.11 0.00 0.50 0.00 0.00 46.19 42.57 1jc1 s LEU 178 CO -0.07 -0.92 0.14 0.00 -1.32 0.00 0.00 176.35 174.18 1jc1 s ALA 179 N -1.38 1.14 -0.26 5.97 0.00 0.20 -1.57 121.76 125.86 1jc1 s ALA 179 Ca 0.61 -1.56 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1jc1 s ALA 179 Cb -0.34 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1jc1 s ALA 179 CO 0.42 -1.76 0.94 0.34 0.00 0.00 0.00 175.76 175.70 1jc1 s ASP 180 N 1.61 6.92 -0.22 0.00 -1.08 -0.55 -0.27 116.67 123.09 1jc1 s ASP 180 Ca 0.11 1.12 -0.10 0.00 -0.52 0.00 0.00 52.55 53.17 1jc1 s ASP 180 Cb -0.18 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 1jc1 s ASP 180 CO -0.24 -0.63 0.13 -1.00 0.52 0.00 0.00 175.17 173.95 1jc1 s HIS 181 N 3.10 3.30 -0.24 -5.34 3.76 0.74 -2.42 115.29 118.21 1jc1 s HIS 181 Ca 0.39 0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1jc1 s HIS 181 Cb -0.15 -2.21 0.06 0.00 1.11 0.00 0.00 32.58 31.39 1jc1 s HIS 181 CO 0.09 0.09 -0.07 0.71 -0.85 0.00 0.00 174.74 174.71 1jc1 s TYR 182 N 0.84 2.57 -0.02 1.40 2.02 -1.05 -2.12 117.35 120.98 1jc1 s TYR 182 Ca 0.07 -1.85 0.02 0.00 -0.37 0.00 0.00 57.07 54.93 1jc1 s TYR 182 Cb -0.13 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1jc1 s TYR 182 CO 0.02 -0.79 -0.07 -1.14 -1.57 0.00 0.00 175.55 172.00 1jc1 s GLN 183 N 1.34 0.76 -0.19 -0.62 0.74 0.73 -0.33 119.66 122.09 1jc1 s GLN 183 Ca -0.06 -0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.08 1jc1 s GLN 183 Cb -0.19 -0.74 -0.02 0.00 1.10 0.00 0.00 33.01 33.16 1jc1 s GLN 183 CO -0.06 0.07 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.59 1jc1 s GLN 184 N 0.26 3.57 -0.21 1.67 2.00 0.89 -0.90 119.66 126.95 1jc1 s GLN 184 Ca -0.03 -0.55 -0.03 0.00 -2.00 0.00 0.00 55.36 52.75 1jc1 s GLN 184 Cb -0.08 -3.00 -0.01 0.00 0.80 0.00 0.00 33.01 30.72 1jc1 s GLN 184 CO 0.00 0.03 -0.07 -0.80 -0.50 0.00 0.00 175.29 173.96 1jc1 s ASN 185 N 0.91 4.15 -0.09 6.67 -0.87 -0.73 0.43 114.94 125.41 1jc1 s ASN 185 Ca 0.00 -0.41 -0.07 0.00 -1.57 0.00 0.00 52.86 50.81 1jc1 s ASN 185 Cb -0.14 -1.70 0.03 0.00 -0.02 0.00 0.00 41.25 39.42 1jc1 s ASN 185 CO 0.01 0.01 0.23 0.28 -2.57 0.00 0.00 177.10 175.06 1jc1 s THR 186 N 1.32 -0.01 -0.29 1.60 -1.32 0.25 -1.08 115.64 116.10 1jc1 s THR 186 Ca 0.04 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.25 1jc1 s THR 186 Cb -0.14 -0.33 -0.08 0.00 -1.51 0.00 0.00 72.50 70.44 1jc1 s THR 186 CO -0.03 0.01 2.24 -2.65 -2.21 0.00 0.00 174.62 171.98 1jc1 n PRO 187 N 3.25 1.57 0.00 7.08 -0.02 -1.26 0.43 135.00 146.05 1jc1 n PRO 187 Ca -0.16 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1jc1 n PRO 187 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1jc1 n PRO 187 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1jc1 n ILE 188 N 7.59 1.76 -3.32 4.25 5.41 -0.70 -4.82 119.36 129.53 1jc1 n ILE 188 Ca 0.35 0.49 0.00 0.00 1.00 0.00 0.00 62.75 64.59 1jc1 n ILE 188 Cb 0.38 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 1jc1 n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jc1 n GLY 189 N -1.44 3.22 0.19 7.39 0.00 -1.26 -5.04 105.19 108.25 1jc1 n GLY 189 Ca 0.00 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.80 1jc1 n GLY 189 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jc1 h ASP 190 N 0.00 0.00 -3.31 1.61 1.82 -1.99 -3.47 116.42 111.08 1jc1 h ASP 190 Ca 0.00 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.07 1jc1 h ASP 190 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 1jc1 h ASP 190 CO 0.00 0.29 0.41 -0.83 -1.61 0.00 0.00 179.24 177.49 1jc1 s GLY 191 N -4.34 2.32 0.25 -0.78 0.00 -1.26 -5.05 107.32 98.45 1jc1 s GLY 191 Ca 0.03 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 1jc1 s GLY 191 CO 0.69 1.69 -0.19 -1.55 0.00 0.00 0.00 173.10 173.73 1jc1 n PRO 192 N 4.86 0.00 -3.53 2.90 -0.04 -1.26 -4.90 135.00 133.02 1jc1 n PRO 192 Ca 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1jc1 n PRO 192 Cb 0.49 -0.26 -0.02 0.00 -0.04 0.00 0.00 33.50 33.67 1jc1 n PRO 192 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jc1 s VAL 193 N -0.53 0.00 -0.08 0.52 -7.23 -1.26 -4.77 120.40 107.05 1jc1 s VAL 193 Ca 0.11 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 59.77 1jc1 s VAL 193 Cb -0.06 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1jc1 s VAL 193 CO 0.21 0.00 0.83 -0.76 -0.31 0.00 0.00 175.10 175.07 1jc1 s LEU 194 N -2.79 4.28 -0.43 1.32 1.43 -1.26 -4.98 118.68 116.25 1jc1 s LEU 194 Ca 0.04 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.36 1jc1 s LEU 194 Cb -0.02 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 43.00 1jc1 s LEU 194 CO -0.08 -0.26 0.29 -0.76 0.23 0.00 0.00 176.35 175.78 1jc1 s LEU 195 N 1.33 5.31 0.70 1.79 2.01 -1.26 -4.23 118.68 124.32 1jc1 s LEU 195 Ca 0.42 -1.55 -0.15 0.00 0.01 0.00 0.00 54.13 52.87 1jc1 s LEU 195 Cb -0.18 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.02 1jc1 s LEU 195 CO 0.19 -0.58 1.15 -2.16 1.01 0.00 0.00 176.35 175.96 1jc1 s PRO 196 N 1.45 2.44 0.00 1.29 0.04 -1.26 -4.92 135.00 134.03 1jc1 s PRO 196 Ca 0.04 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1jc1 s PRO 196 Cb -0.24 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jc1 s PRO 196 CO 0.02 -1.55 0.00 -0.25 0.04 0.00 0.00 177.00 175.26 1jc1 n ASP 197 N -2.66 -0.06 -4.65 6.66 9.92 -1.26 -3.96 116.55 120.54 1jc1 n ASP 197 Ca 0.12 -0.63 -0.43 0.00 -0.53 0.00 0.00 54.79 53.31 1jc1 n ASP 197 Cb 0.51 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.97 1jc1 n ASP 197 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1jc1 s ASN 198 N -1.04 6.89 0.36 -2.24 4.22 -1.26 -4.66 114.94 117.20 1jc1 s ASN 198 Ca 0.00 1.55 -0.04 0.00 -2.14 0.00 0.00 52.86 52.23 1jc1 s ASN 198 Cb 0.00 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 40.00 1jc1 s ASN 198 CO 0.00 -0.83 0.54 -1.38 -2.04 0.00 0.00 177.10 173.39 1jc1 s HIS 199 N 3.68 0.94 0.26 1.54 -3.43 -1.01 -4.41 115.29 112.85 1jc1 s HIS 199 Ca 0.54 -1.24 -0.05 0.00 -0.80 0.00 0.00 55.06 53.52 1jc1 s HIS 199 Cb -0.20 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.00 1jc1 s HIS 199 CO 0.16 -1.23 0.33 1.52 -2.00 0.00 0.00 174.74 173.52 1jc1 s TYR 200 N -2.85 0.91 -0.12 0.38 -0.85 0.26 -0.69 117.35 114.39 1jc1 s TYR 200 Ca 0.28 -1.16 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 1jc1 s TYR 200 Cb -0.01 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.13 1jc1 s TYR 200 CO 0.19 -0.89 -0.16 -0.51 -1.52 0.00 0.00 175.55 172.67 1jc1 s LEU 201 N -3.14 1.78 -0.31 -3.49 1.43 0.40 -1.10 118.68 114.24 1jc1 s LEU 201 Ca 0.32 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1jc1 s LEU 201 Cb 0.02 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1jc1 s LEU 201 CO 0.14 0.01 0.51 -0.55 0.23 0.00 0.00 176.35 176.69 1jc1 s SER 202 N 1.04 6.36 -0.08 2.29 0.15 0.22 -0.92 113.70 122.77 1jc1 s SER 202 Ca -0.05 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.86 1jc1 s SER 202 Cb -0.15 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1jc1 s SER 202 CO -0.03 -0.39 -0.16 -0.89 1.20 0.00 0.00 173.24 172.97 1jc1 s THR 203 N 2.36 2.83 -0.02 6.45 2.01 0.45 -1.42 115.64 128.28 1jc1 s THR 203 Ca 0.20 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1jc1 s THR 203 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.24 1jc1 s THR 203 CO 0.12 0.56 -0.05 0.00 -0.69 0.00 0.00 174.62 174.56 1jc1 s SER 205 N 0.39 1.47 -0.16 0.00 0.01 -1.26 -0.95 113.70 113.20 1jc1 s SER 205 Ca -0.05 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1jc1 s SER 205 Cb -0.09 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.92 1jc1 s SER 205 CO -0.00 0.13 -0.18 0.00 0.41 0.00 0.00 173.24 173.60 1jc1 s ALA 206 N -0.14 2.15 -0.17 1.44 0.00 0.14 -4.63 121.76 120.56 1jc1 s ALA 206 Ca 0.02 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1jc1 s ALA 206 Cb -0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1jc1 s ALA 206 CO 0.00 -0.30 0.15 -0.51 0.00 0.00 0.00 175.76 175.10 1jc1 s LEU 207 N 1.27 4.26 0.00 0.00 1.43 -1.26 0.22 118.68 124.60 1jc1 s LEU 207 Ca 0.03 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1jc1 s LEU 207 Cb -0.13 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1jc1 s LEU 207 CO -0.10 0.23 0.36 -1.54 0.23 0.00 0.00 176.35 175.52 1jc1 n SER 208 N 3.12 -0.96 -4.33 2.29 3.41 0.38 -4.96 113.62 112.57 1jc1 n SER 208 Ca -0.17 -2.84 -0.18 0.00 -0.26 0.00 0.00 58.87 55.43 1jc1 n SER 208 Cb 0.53 1.94 -0.10 0.00 -0.26 0.00 0.00 64.21 66.32 1jc1 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jc1 s LYS 209 N -2.95 1.29 -0.09 4.33 1.02 -1.26 -0.53 119.74 121.55 1jc1 s LYS 209 Ca 0.31 -1.59 -0.17 0.00 0.02 0.00 0.00 55.97 54.53 1jc1 s LYS 209 Cb 0.00 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.31 1jc1 s LYS 209 CO 0.22 0.11 0.46 0.34 -0.92 0.00 0.00 175.35 175.56 1jc1 s ASP 210 N -3.30 6.71 0.07 2.83 2.15 -1.26 -4.93 116.67 118.94 1jc1 s ASP 210 Ca 0.23 0.84 -0.25 0.00 0.43 0.00 0.00 52.55 53.79 1jc1 s ASP 210 Cb 0.01 -2.28 -0.16 0.00 -0.30 0.00 0.00 42.92 40.19 1jc1 s ASP 210 CO 0.06 0.07 1.64 -0.65 -0.17 0.00 0.00 175.17 176.12 1jc1 h PRO 211 N 6.32 -0.20 -2.05 4.34 0.10 -2.04 -2.25 132.00 136.23 1jc1 h PRO 211 Ca -0.43 0.01 -0.53 0.00 0.10 0.00 0.00 66.00 65.16 1jc1 h PRO 211 Cb 1.19 0.04 -0.18 0.00 0.10 0.00 0.00 31.00 32.15 1jc1 h PRO 211 CO 0.73 -0.07 0.57 0.27 0.10 0.00 0.00 178.00 179.60 1jc1 n ASN 212 N -5.15 6.63 -4.16 -2.05 6.94 -1.26 -4.87 115.26 111.33 1jc1 n ASN 212 Ca -0.09 -3.22 -0.35 0.00 -0.02 0.00 0.00 54.58 50.91 1jc1 n ASN 212 Cb 0.13 -1.24 -0.14 0.00 -2.36 0.00 0.00 39.78 36.18 1jc1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1jc1 s GLU 213 N -1.74 2.37 0.00 -3.83 2.12 -0.85 -5.00 118.70 111.77 1jc1 s GLU 213 Ca 0.58 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1jc1 s GLU 213 Cb 0.37 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1jc1 s GLU 213 CO -0.22 -0.66 0.00 1.17 -0.54 0.00 0.00 175.26 175.01 1jc1 n LYS 214 N 4.61 0.00 -0.96 4.30 3.00 -1.26 -4.96 118.16 122.89 1jc1 n LYS 214 Ca -0.12 0.44 -0.35 0.00 -0.00 0.00 0.00 58.31 58.27 1jc1 n LYS 214 Cb 0.43 -0.94 0.06 0.00 0.00 0.00 0.00 35.03 34.58 1jc1 n LYS 214 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1jc1 n ARG 215 N -1.83 -0.06 -2.27 1.64 3.00 -1.26 -4.78 116.66 111.09 1jc1 n ARG 215 Ca 0.00 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.43 1jc1 n ARG 215 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 1jc1 n ARG 215 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jc1 s ASP 216 N -1.22 5.89 0.45 6.15 -1.08 -1.26 -4.85 116.67 120.74 1jc1 s ASP 216 Ca 0.44 0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.88 1jc1 s ASP 216 Cb -0.19 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 1jc1 s ASP 216 CO 0.80 -1.89 0.26 -1.38 0.52 0.00 0.00 175.17 173.47 1jc1 s HIS 217 N 6.89 2.39 -0.28 -5.34 -3.43 -1.25 0.19 115.29 114.45 1jc1 s HIS 217 Ca 0.58 -0.64 -0.01 0.00 -0.80 0.00 0.00 55.06 54.19 1jc1 s HIS 217 Cb -0.12 -1.98 0.17 0.00 -1.43 0.00 0.00 32.58 29.22 1jc1 s HIS 217 CO 0.24 -0.01 0.50 1.41 -2.00 0.00 0.00 174.74 174.88 1jc1 s MET 218 N -4.03 0.48 -0.26 -0.38 1.75 0.02 -4.95 119.30 111.93 1jc1 s MET 218 Ca 0.39 0.73 -0.15 0.00 -1.25 0.00 0.00 55.69 55.40 1jc1 s MET 218 Cb 0.01 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.73 1jc1 s MET 218 CO 0.22 -0.70 0.40 0.08 -0.65 0.00 0.00 175.02 174.37 1jc1 s VAL 219 N 2.72 5.16 0.01 10.11 1.01 0.31 0.40 120.40 140.11 1jc1 s VAL 219 Ca 0.16 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1jc1 s VAL 219 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1jc1 s VAL 219 CO -0.20 0.15 -0.22 -0.22 0.00 0.00 0.00 175.10 174.61 1jc1 s LEU 220 N 2.05 2.09 -0.06 3.92 0.20 -0.34 0.14 118.68 126.68 1jc1 s LEU 220 Ca 0.16 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.57 1jc1 s LEU 220 Cb -0.16 -1.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.53 1jc1 s LEU 220 CO 0.10 0.23 -0.16 -0.22 -0.29 0.00 0.00 176.35 176.01 1jc1 s LEU 221 N -0.75 1.83 0.01 -0.68 2.96 0.13 -2.92 118.68 119.26 1jc1 s LEU 221 Ca 0.08 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1jc1 s LEU 221 Cb -0.09 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1jc1 s LEU 221 CO 0.00 0.10 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.38 1jc1 s GLU 222 N 0.37 0.43 -0.17 1.98 2.12 -0.22 0.27 118.70 123.47 1jc1 s GLU 222 Ca -0.11 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 1jc1 s GLU 222 Cb -0.15 -0.32 0.04 0.00 0.26 0.00 0.00 34.13 33.96 1jc1 s GLU 222 CO 0.04 0.08 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.74 1jc1 s PHE 223 N -0.59 1.62 -0.05 5.30 0.08 -0.12 -1.71 117.98 122.51 1jc1 s PHE 223 Ca -0.03 -1.05 0.04 0.00 0.12 0.00 0.00 56.93 56.02 1jc1 s PHE 223 Cb -0.05 -1.27 -0.00 0.00 -0.57 0.00 0.00 43.02 41.13 1jc1 s PHE 223 CO -0.00 -0.61 -0.19 0.08 -0.10 0.00 0.00 175.22 174.41 1jc1 s VAL 224 N 1.66 1.55 -0.09 -0.44 1.01 0.25 -1.31 120.40 123.04 1jc1 s VAL 224 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1jc1 s VAL 224 Cb -0.15 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1jc1 s VAL 224 CO -0.08 0.44 0.18 0.28 0.00 0.00 0.00 175.10 175.93 1jc1 s THR 225 N 0.06 -0.18 0.35 3.92 -1.32 -0.51 -2.19 115.64 115.77 1jc1 s THR 225 Ca -0.05 0.26 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 1jc1 s THR 225 Cb -0.13 -0.31 -0.10 0.00 -1.51 0.00 0.00 72.50 70.46 1jc1 s THR 225 CO 0.03 0.11 0.95 0.00 -2.21 0.00 0.00 174.62 173.50 1jc1 s ALA 226 N 1.81 3.16 0.19 11.08 0.00 -0.57 0.73 121.76 138.16 1jc1 s ALA 226 Ca -0.03 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 1jc1 s ALA 226 Cb -0.12 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1jc1 s ALA 226 CO -0.07 0.14 0.36 0.00 0.00 0.00 0.00 175.76 176.19 1jc1 n ALA 227 N 0.25 -0.71 0.00 0.00 0.00 -0.26 -4.48 120.51 115.30 1jc1 n ALA 227 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1jc1 n ALA 227 Cb 0.51 0.54 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1jc1 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jc1 n GLY 228 N -0.27 2.20 0.25 0.00 0.00 -1.26 -0.57 105.19 105.53 1jc1 n GLY 228 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1jc1 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71