#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc0 h LYS 3 N 0.00 -0.39 -0.47 1.43 -0.00 -1.92 -3.25 116.57 111.97 1jc0 h LYS 3 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.67 1jc0 h LYS 3 Cb 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 32.30 1jc0 h LYS 3 CO 0.00 -0.26 0.25 0.78 -0.00 0.00 0.00 179.45 180.22 1jc0 h GLY 4 N -0.55 0.68 -0.88 0.07 0.00 -1.76 -1.75 103.07 98.88 1jc0 h GLY 4 Ca -0.04 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.09 1jc0 h GLY 4 CO 0.07 0.28 -0.50 -2.21 0.00 0.00 0.00 176.54 174.18 1jc0 n GLU 5 N -4.41 -0.36 -0.40 4.80 2.13 -1.23 0.21 120.64 121.38 1jc0 n GLU 5 Ca 0.04 1.34 0.38 0.00 0.66 0.00 0.00 57.16 59.58 1jc0 n GLU 5 Cb 0.10 -1.97 0.75 0.00 0.27 0.00 0.00 31.44 30.59 1jc0 n GLU 5 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jc0 h GLU 6 N 0.00 0.02 0.00 5.31 4.39 -1.35 0.53 114.58 123.48 1jc0 h GLU 6 Ca 0.16 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1jc0 h GLU 6 Cb 0.39 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1jc0 h GLU 6 CO -0.84 0.01 0.00 1.28 -1.16 0.00 0.00 179.01 178.31 1jc0 n LEU 7 N -4.17 0.32 -1.35 1.33 4.32 0.57 -3.14 117.00 114.88 1jc0 n LEU 7 Ca 0.29 0.58 0.10 0.00 -0.02 0.00 0.00 56.01 56.96 1jc0 n LEU 7 Cb 1.38 -0.53 0.32 0.00 -1.62 0.00 0.00 43.42 42.97 1jc0 n LEU 7 CO 0.40 -0.39 0.77 0.49 -1.22 0.00 0.00 177.39 177.44 1jc0 n PHE 8 N -1.85 1.14 -0.34 -1.77 3.72 0.19 -4.75 117.46 113.79 1jc0 n PHE 8 Ca 0.03 -0.56 0.16 0.00 -0.05 0.00 0.00 57.45 57.02 1jc0 n PHE 8 Cb 0.20 -0.12 0.31 0.00 -0.94 0.00 0.00 39.48 38.93 1jc0 n PHE 8 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1jc0 h THR 9 N 3.84 0.01 -2.11 4.37 2.02 -1.70 -3.40 112.91 115.93 1jc0 h THR 9 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1jc0 h THR 9 Cb 1.18 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1jc0 h THR 9 CO 0.11 0.00 -0.01 0.61 0.37 0.00 0.00 175.52 176.60 1jc0 n GLY 10 N -1.48 3.58 3.44 2.16 0.00 -1.26 -4.81 105.19 106.81 1jc0 n GLY 10 Ca 0.24 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 1jc0 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jc0 n VAL 11 N -0.03 1.69 -3.73 1.61 0.31 -1.26 -4.75 118.33 112.17 1jc0 n VAL 11 Ca 0.00 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.65 1jc0 n VAL 11 Cb 0.03 -0.40 -0.17 0.00 -0.91 0.00 0.00 33.84 32.39 1jc0 n VAL 11 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jc0 s VAL 12 N -1.32 -0.04 0.44 2.52 1.01 0.11 -4.96 120.40 118.17 1jc0 s VAL 12 Ca 0.62 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 1jc0 s VAL 12 Cb -0.71 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 1jc0 s VAL 12 CO 0.59 0.15 0.86 -2.16 0.00 0.00 0.00 175.10 174.54 1jc0 s PRO 13 N 1.69 3.88 0.10 2.72 0.04 -1.26 0.18 135.00 142.35 1jc0 s PRO 13 Ca -0.01 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.77 1jc0 s PRO 13 Cb -0.12 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1jc0 s PRO 13 CO -0.03 -0.11 -0.09 0.42 0.04 0.00 0.00 177.00 177.23 1jc0 s ILE 14 N -2.42 0.89 0.01 0.56 1.01 0.34 -0.47 121.20 121.12 1jc0 s ILE 14 Ca 0.55 -1.76 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1jc0 s ILE 14 Cb -0.10 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1jc0 s ILE 14 CO 0.29 -0.66 -0.05 -0.76 0.00 0.00 0.00 174.94 173.76 1jc0 s LEU 15 N -2.68 2.10 -0.03 2.97 2.01 0.13 -1.21 118.68 121.96 1jc0 s LEU 15 Ca 0.08 -0.24 -0.00 0.00 0.01 0.00 0.00 54.13 53.98 1jc0 s LEU 15 Cb -0.00 -0.15 0.03 0.00 0.01 0.00 0.00 46.19 46.07 1jc0 s LEU 15 CO -0.01 -0.06 0.03 -0.69 1.01 0.00 0.00 176.35 176.63 1jc0 s VAL 16 N -0.57 0.01 -0.15 -1.59 1.01 0.29 0.69 120.40 120.09 1jc0 s VAL 16 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1jc0 s VAL 16 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1jc0 s VAL 16 CO -0.00 0.14 -0.19 -1.61 0.00 0.00 0.00 175.10 173.44 1jc0 s GLU 17 N 1.40 3.12 -0.33 2.72 0.41 0.30 0.69 118.70 127.01 1jc0 s GLU 17 Ca -0.05 -0.80 -0.08 0.00 -0.41 0.00 0.00 54.97 53.63 1jc0 s GLU 17 Cb -0.13 -2.53 0.03 0.00 -1.78 0.00 0.00 34.13 29.71 1jc0 s GLU 17 CO -0.03 -0.00 0.12 -1.17 -0.49 0.00 0.00 175.26 173.69 1jc0 s LEU 18 N 0.83 4.24 -0.04 1.80 0.20 1.41 -1.10 118.68 126.00 1jc0 s LEU 18 Ca -0.06 -0.95 -0.02 0.00 0.69 0.00 0.00 54.13 53.80 1jc0 s LEU 18 Cb -0.15 -1.91 0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1jc0 s LEU 18 CO -0.01 -0.29 0.04 -1.81 -0.29 0.00 0.00 176.35 173.99 1jc0 s ASP 19 N 1.47 1.10 0.00 3.68 1.01 -1.03 0.44 116.67 123.35 1jc0 s ASP 19 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1jc0 s ASP 19 Cb -0.19 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.54 1jc0 s ASP 19 CO 0.04 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1jc0 n GLY 20 N 5.09 0.14 2.73 0.21 0.00 -0.95 0.44 105.19 112.85 1jc0 n GLY 20 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1jc0 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jc0 s ASP 21 N -0.15 2.80 -0.33 1.61 2.15 0.99 -0.32 116.67 123.41 1jc0 s ASP 21 Ca 0.00 -0.77 0.01 0.00 0.43 0.00 0.00 52.55 52.22 1jc0 s ASP 21 Cb 0.00 -0.57 0.14 0.00 -0.30 0.00 0.00 42.92 42.20 1jc0 s ASP 21 CO 0.00 -0.30 0.33 -0.69 -0.17 0.00 0.00 175.17 174.34 1jc0 s VAL 22 N 1.88 -0.35 -0.59 1.11 1.01 0.11 0.47 120.40 124.05 1jc0 s VAL 22 Ca -0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1jc0 s VAL 22 Cb -0.17 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1jc0 s VAL 22 CO -0.08 -0.54 0.65 0.59 0.00 0.00 0.00 175.10 175.72 1jc0 n ASN 23 N 4.79 -7.57 0.00 3.32 4.13 0.17 -2.86 115.26 117.24 1jc0 n ASN 23 Ca 0.04 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1jc0 n ASN 23 Cb 0.45 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.77 1jc0 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc0 n GLY 24 N -1.00 0.71 3.50 7.41 0.00 -1.26 -4.84 105.19 109.71 1jc0 n GLY 24 Ca 0.03 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1jc0 n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jc0 n HIS 25 N 0.00 1.38 -3.71 1.61 8.25 -1.13 -4.95 115.22 116.66 1jc0 n HIS 25 Ca 0.00 0.21 -0.37 0.00 -0.26 0.00 0.00 57.72 57.30 1jc0 n HIS 25 Cb 0.00 -2.56 -0.06 0.00 1.12 0.00 0.00 29.99 28.50 1jc0 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jc0 s LYS 26 N 7.47 3.65 0.05 -0.41 1.02 -1.24 -0.71 119.74 129.56 1jc0 s LYS 26 Ca 1.10 0.08 -0.23 0.00 0.02 0.00 0.00 55.97 56.94 1jc0 s LYS 26 Cb -0.66 -3.16 0.05 0.00 -0.52 0.00 0.00 37.83 33.54 1jc0 s LYS 26 CO 0.40 0.71 0.54 -0.59 -0.92 0.00 0.00 175.35 175.49 1jc0 s PHE 27 N -1.13 -0.45 -0.15 3.18 -0.71 0.56 -4.95 117.98 114.32 1jc0 s PHE 27 Ca 0.22 0.51 0.01 0.00 -1.04 0.00 0.00 56.93 56.63 1jc0 s PHE 27 Cb -0.14 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.04 1jc0 s PHE 27 CO 0.11 -0.66 -0.19 0.45 -1.34 0.00 0.00 175.22 173.59 1jc0 s SER 28 N -1.98 3.27 -0.08 1.98 0.15 -1.22 -3.53 113.70 112.29 1jc0 s SER 28 Ca -0.05 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.06 1jc0 s SER 28 Cb -0.01 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1jc0 s SER 28 CO -0.02 0.06 -0.22 0.68 1.20 0.00 0.00 173.24 174.94 1jc0 s VAL 29 N 0.94 2.25 -0.04 4.45 -7.23 1.54 0.44 120.40 122.74 1jc0 s VAL 29 Ca -0.04 -0.98 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1jc0 s VAL 29 Cb -0.15 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1jc0 s VAL 29 CO -0.04 0.56 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.67 1jc0 s SER 30 N 0.07 2.49 -0.09 4.85 0.01 0.30 0.42 113.70 121.74 1jc0 s SER 30 Ca -0.10 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.76 1jc0 s SER 30 Cb -0.16 -0.61 0.02 0.00 0.21 0.00 0.00 66.02 65.49 1jc0 s SER 30 CO 0.06 0.20 -0.10 -0.83 0.41 0.00 0.00 173.24 172.98 1jc0 s GLY 31 N -0.13 0.83 -0.12 3.44 0.00 0.22 -1.44 107.32 110.13 1jc0 s GLY 31 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 1jc0 s GLY 31 CO 0.02 0.49 -0.06 1.85 0.00 0.00 0.00 173.10 175.40 1jc0 s GLU 32 N 1.24 3.26 0.00 2.90 2.12 -0.59 0.10 118.70 127.73 1jc0 s GLU 32 Ca -0.04 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1jc0 s GLU 32 Cb -0.14 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1jc0 s GLU 32 CO -0.03 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1jc0 n GLY 33 N 3.00 -0.62 3.51 -1.50 0.00 -0.35 0.11 105.19 109.34 1jc0 n GLY 33 Ca -0.18 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1jc0 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jc0 s GLU 34 N -0.36 0.98 0.36 1.61 -1.05 -0.70 0.13 118.70 119.67 1jc0 s GLU 34 Ca 0.00 0.06 0.09 0.00 -0.15 0.00 0.00 54.97 54.97 1jc0 s GLU 34 Cb 0.00 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.09 1jc0 s GLU 34 CO 0.00 -0.34 -0.01 0.20 0.95 0.00 0.00 175.26 176.06 1jc0 s GLY 35 N -1.56 2.22 -0.47 -3.83 0.00 0.46 -1.94 107.32 102.20 1jc0 s GLY 35 Ca -0.06 -2.08 0.06 0.00 0.00 0.00 0.00 44.72 42.64 1jc0 s GLY 35 CO 0.03 -1.98 0.62 1.34 0.00 0.00 0.00 173.10 173.10 1jc0 n ASP 36 N -0.94 -2.08 -0.20 1.64 2.03 0.22 0.09 116.55 117.31 1jc0 n ASP 36 Ca -0.04 -2.80 0.21 0.00 0.52 0.00 0.00 54.79 52.68 1jc0 n ASP 36 Cb 0.64 0.82 0.57 0.00 -0.72 0.00 0.00 41.12 42.43 1jc0 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jc0 h ALA 37 N 4.90 2.36 -1.18 -1.67 0.00 -1.77 -1.34 119.26 120.58 1jc0 h ALA 37 Ca 0.09 0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.38 1jc0 h ALA 37 Cb 1.01 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1jc0 h ALA 37 CO 0.22 -0.63 0.74 1.79 0.00 0.00 0.00 179.25 181.37 1jc0 h THR 38 N 0.28 0.23 -0.01 0.00 1.35 -1.87 2.12 112.91 115.01 1jc0 h THR 38 Ca 0.44 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1jc0 h THR 38 Cb 1.26 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1jc0 h THR 38 CO -0.12 0.03 -0.42 -1.22 -0.25 0.00 0.00 175.52 173.55 1jc0 n TYR 39 N -4.79 0.00 -1.97 4.73 4.01 -0.56 -4.96 117.16 113.63 1jc0 n TYR 39 Ca 0.34 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.02 1jc0 n TYR 39 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.24 1jc0 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jc0 n GLY 40 N 1.21 0.24 3.30 2.72 0.00 0.72 -4.77 105.19 108.61 1jc0 n GLY 40 Ca 0.06 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1jc0 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jc0 s LYS 41 N -4.01 2.97 -0.00 1.61 2.20 -0.89 -1.72 119.74 119.90 1jc0 s LYS 41 Ca 0.00 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 54.85 1jc0 s LYS 41 Cb 0.00 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1jc0 s LYS 41 CO 0.00 0.28 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.60 1jc0 s LEU 42 N 0.11 2.65 -0.06 5.43 2.01 -0.98 0.72 118.68 128.57 1jc0 s LEU 42 Ca -0.10 -0.31 -0.01 0.00 0.01 0.00 0.00 54.13 53.72 1jc0 s LEU 42 Cb -0.16 -1.54 0.03 0.00 0.01 0.00 0.00 46.19 44.53 1jc0 s LEU 42 CO 0.06 0.30 0.01 -0.89 1.01 0.00 0.00 176.35 176.84 1jc0 s THR 43 N -0.83 0.31 0.06 5.49 2.01 -0.82 -1.67 115.64 120.19 1jc0 s THR 43 Ca 0.13 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.33 1jc0 s THR 43 Cb -0.11 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1jc0 s THR 43 CO 0.03 0.24 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.33 1jc0 s LEU 44 N 1.93 2.28 -0.38 4.42 1.43 -0.69 -1.73 118.68 125.94 1jc0 s LEU 44 Ca 0.04 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1jc0 s LEU 44 Cb -0.12 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.73 1jc0 s LEU 44 CO -0.05 -0.13 0.27 -0.75 0.23 0.00 0.00 176.35 175.92 1jc0 s LYS 45 N -1.73 3.10 -0.22 1.70 2.20 0.30 -2.79 119.74 122.31 1jc0 s LYS 45 Ca -0.05 -0.92 -0.04 0.00 -0.36 0.00 0.00 55.97 54.61 1jc0 s LYS 45 Cb -0.10 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1jc0 s LYS 45 CO 0.02 -0.65 -0.04 -0.59 -0.36 0.00 0.00 175.35 173.72 1jc0 s PHE 46 N 1.67 2.96 0.05 4.03 -0.12 0.50 -1.55 117.98 125.52 1jc0 s PHE 46 Ca 0.05 -0.94 -0.12 0.00 -0.05 0.00 0.00 56.93 55.87 1jc0 s PHE 46 Cb -0.19 -2.10 0.01 0.00 -0.63 0.00 0.00 43.02 40.12 1jc0 s PHE 46 CO 0.10 -0.55 0.26 0.42 -0.05 0.00 0.00 175.22 175.40 1jc0 s ILE 47 N 1.47 0.10 -0.37 -4.49 1.01 -0.52 0.15 121.20 118.54 1jc0 s ILE 47 Ca 0.06 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1jc0 s ILE 47 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1jc0 s ILE 47 CO -0.03 -0.43 0.63 -0.94 0.00 0.00 0.00 174.94 174.16 1jc0 s SER 48 N -2.15 6.40 0.00 3.58 1.04 -1.15 0.11 113.70 121.53 1jc0 s SER 48 Ca -0.04 0.04 0.22 0.00 0.48 0.00 0.00 55.95 56.65 1jc0 s SER 48 Cb -0.00 -2.32 1.13 0.00 0.10 0.00 0.00 66.02 64.93 1jc0 s SER 48 CO -0.04 -0.62 1.72 0.41 0.98 0.00 0.00 173.24 175.68 1jc0 n THR 49 N 5.63 0.28 -0.22 2.02 -1.04 1.51 -2.44 114.28 120.01 1jc0 n THR 49 Ca -0.02 0.07 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 1jc0 n THR 49 Cb 0.48 -0.71 0.01 0.00 -1.82 0.00 0.00 70.33 68.30 1jc0 n THR 49 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jc0 n THR 50 N -1.26 0.93 -2.91 12.58 -2.24 -1.21 -4.78 114.28 115.38 1jc0 n THR 50 Ca 0.11 -0.96 0.09 0.00 -2.27 0.00 0.00 64.05 61.02 1jc0 n THR 50 Cb 0.17 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1jc0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jc0 n GLY 51 N -0.50 -1.58 0.00 3.38 0.00 -1.02 -4.89 105.19 100.58 1jc0 n GLY 51 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1jc0 n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jc0 n LYS 52 N -2.71 0.00 -2.69 1.61 3.00 -1.26 -4.85 118.16 111.25 1jc0 n LYS 52 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 1jc0 n LYS 52 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.29 1jc0 n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jc0 s LEU 53 N 0.00 3.95 0.31 3.14 1.02 -1.26 -4.96 118.68 120.87 1jc0 s LEU 53 Ca 0.00 0.94 0.02 0.00 0.02 0.00 0.00 54.13 55.11 1jc0 s LEU 53 Cb 0.00 -3.46 0.50 0.00 0.02 0.00 0.00 46.19 43.26 1jc0 s LEU 53 CO 0.00 -0.86 1.83 1.55 0.02 0.00 0.00 176.35 178.89 1jc0 h PRO 54 N 8.16 0.61 -6.21 1.29 0.13 -1.95 -3.42 132.00 130.61 1jc0 h PRO 54 Ca -0.21 -0.15 -0.50 0.00 -0.87 0.00 0.00 66.00 64.27 1jc0 h PRO 54 Cb 1.07 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1jc0 h PRO 54 CO 1.01 0.64 -0.32 0.14 -0.23 0.00 0.00 178.00 179.24 1jc0 s VAL 55 N -4.95 2.46 0.11 1.56 -7.23 -1.26 -4.48 120.40 106.61 1jc0 s VAL 55 Ca -0.08 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1jc0 s VAL 55 Cb 0.15 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1jc0 s VAL 55 CO 0.78 0.00 0.24 -2.84 -0.31 0.00 0.00 175.10 172.97 1jc0 s PRO 56 N -4.24 3.40 0.13 4.82 0.01 -1.26 -5.01 135.00 132.84 1jc0 s PRO 56 Ca 0.48 -0.55 -0.27 0.00 0.01 0.00 0.00 61.00 60.66 1jc0 s PRO 56 Cb -0.04 -2.97 -0.07 0.00 0.01 0.00 0.00 34.50 31.43 1jc0 s PRO 56 CO 0.29 0.55 1.47 -1.49 0.01 0.00 0.00 177.00 177.83 1jc0 h TRP 57 N 2.55 -1.60 -1.38 6.54 4.06 -1.96 -0.07 115.95 124.08 1jc0 h TRP 57 Ca -0.47 0.10 0.41 0.00 2.06 0.00 0.00 58.89 60.99 1jc0 h TRP 57 Cb 1.18 0.79 -0.08 0.00 -1.00 0.00 0.00 29.16 30.05 1jc0 h TRP 57 CO 0.57 -0.35 0.96 -1.35 -3.56 0.00 0.00 178.44 174.71 1jc0 h PRO 58 N -0.09 0.08 0.00 0.49 0.11 -1.90 0.90 132.00 131.59 1jc0 h PRO 58 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1jc0 h PRO 58 Cb 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1jc0 h PRO 58 CO -0.74 0.06 0.00 1.79 -0.21 0.00 0.00 178.00 178.90 1jc0 h THR 59 N 0.09 0.00 -0.01 -1.15 1.35 -1.40 -2.88 112.91 108.91 1jc0 h THR 59 Ca 0.73 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1jc0 h THR 59 Cb 2.58 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 1jc0 h THR 59 CO -0.17 0.00 -0.70 0.18 -0.25 0.00 0.00 175.52 174.59 1jc0 n LEU 60 N -2.31 1.44 -0.18 3.87 4.77 0.31 -4.61 117.00 120.30 1jc0 n LEU 60 Ca 0.02 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.34 1jc0 n LEU 60 Cb 0.24 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1jc0 n LEU 60 CO 0.20 0.30 0.74 0.58 -1.33 0.00 0.00 177.39 177.88 1jc0 h VAL 61 N 1.15 0.41 0.04 4.08 2.07 -1.50 0.51 116.25 123.00 1jc0 h VAL 61 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jc0 h VAL 61 Cb 0.59 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1jc0 h VAL 61 CO 0.00 0.00 -0.02 0.71 0.02 0.00 0.00 177.57 178.28 1jc0 h THR 62 N -0.04 0.96 -0.38 2.57 1.35 -1.81 -3.08 112.91 112.48 1jc0 h THR 62 Ca 0.26 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 66.01 1jc0 h THR 62 Cb 0.43 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1jc0 h THR 62 CO -0.57 0.00 -0.16 0.71 -0.25 0.00 0.00 175.52 175.24 1jc0 h THR 63 N -0.05 1.28 0.00 6.82 1.35 -1.80 -3.46 112.91 117.05 1jc0 h THR 63 Ca -0.00 -1.28 -0.40 0.00 -0.55 0.00 0.00 66.41 64.18 1jc0 h THR 63 Cb 0.04 1.30 0.02 0.00 -1.73 0.00 0.00 68.15 67.78 1jc0 h THR 63 CO 0.01 0.43 2.62 0.18 -0.25 0.00 0.00 175.52 178.50 1jc0 n LEU 64 N -4.29 4.97 0.00 3.87 4.77 0.18 -5.00 117.00 121.51 1jc0 n LEU 64 Ca -0.02 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1jc0 n LEU 64 Cb 0.40 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1jc0 n LEU 64 CO 0.44 0.60 0.00 1.33 -1.33 0.00 0.00 177.39 178.42 1jc0 n VAL 68 N 4.30 0.00 0.25 4.08 0.24 -1.26 -5.02 118.33 120.91 1jc0 n VAL 68 Ca 0.45 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 1jc0 n VAL 68 Cb 0.15 0.00 0.72 0.00 -1.47 0.00 0.00 33.84 33.24 1jc0 n VAL 68 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1jc0 h GLN 69 N 0.00 0.00 -1.00 7.34 4.20 -1.99 -2.59 115.11 121.07 1jc0 h GLN 69 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1jc0 h GLN 69 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 1jc0 h GLN 69 CO 0.00 0.00 0.62 0.00 -0.67 0.00 0.00 178.83 178.78 1jc0 n PHE 71 N -4.65 0.00 -1.02 0.00 3.72 -0.98 -4.62 117.46 109.91 1jc0 n PHE 71 Ca 0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.30 1jc0 n PHE 71 Cb 0.39 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.09 1jc0 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jc0 s SER 72 N -1.69 2.99 -0.66 4.37 0.01 -0.13 -4.26 113.70 114.33 1jc0 s SER 72 Ca 0.05 1.60 -0.19 0.00 1.31 0.00 0.00 55.95 58.71 1jc0 s SER 72 Cb 0.02 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 64.11 1jc0 s SER 72 CO 0.04 -2.96 0.81 -0.60 0.41 0.00 0.00 173.24 170.94 1jc0 s ARG 73 N -4.81 3.16 -0.32 12.44 3.00 -0.22 -4.64 118.95 127.56 1jc0 s ARG 73 Ca 0.65 -1.36 -0.18 0.00 -1.00 0.00 0.00 55.73 53.83 1jc0 s ARG 73 Cb -0.20 -4.35 -0.01 0.00 0.00 0.00 0.00 34.95 30.39 1jc0 s ARG 73 CO 0.58 -1.61 0.52 0.71 0.00 0.00 0.00 175.30 175.51 1jc0 s TYR 74 N 2.78 3.21 0.43 5.12 1.51 -1.26 0.06 117.35 129.20 1jc0 s TYR 74 Ca 0.17 0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 56.34 1jc0 s TYR 74 Cb -0.19 -2.86 -0.08 0.00 -0.11 0.00 0.00 41.96 38.71 1jc0 s TYR 74 CO 0.04 -0.45 1.31 -2.14 -1.11 0.00 0.00 175.55 173.20 1jc0 s PRO 75 N 2.39 3.81 0.39 -1.71 0.02 -1.26 -4.79 135.00 133.84 1jc0 s PRO 75 Ca 0.20 2.15 0.32 0.00 0.02 0.00 0.00 61.00 63.69 1jc0 s PRO 75 Cb -0.15 -2.64 1.27 0.00 0.02 0.00 0.00 34.50 33.00 1jc0 s PRO 75 CO 0.12 -0.62 1.24 -0.40 -0.33 0.00 0.00 177.00 177.00 1jc0 n ASP 76 N -0.13 0.09 0.01 2.53 5.68 -1.26 0.19 116.55 123.67 1jc0 n ASP 76 Ca 0.05 0.97 -0.05 0.00 -0.50 0.00 0.00 54.79 55.26 1jc0 n ASP 76 Cb 0.44 -0.48 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 1jc0 n ASP 76 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1jc0 h HIS 77 N 0.00 0.00 -0.50 2.11 -0.00 -2.01 -3.33 115.15 111.42 1jc0 h HIS 77 Ca 0.72 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.91 1jc0 h HIS 77 Cb 2.58 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 29.88 1jc0 h HIS 77 CO -0.00 0.82 0.24 -1.33 -0.00 0.00 0.00 177.93 177.65 1jc0 n MET 78 N -3.01 2.41 -0.09 5.12 0.00 0.52 -4.30 117.12 117.77 1jc0 n MET 78 Ca -0.13 -1.85 -0.10 0.00 0.00 0.00 0.00 57.70 55.62 1jc0 n MET 78 Cb 0.95 -1.81 -0.03 0.00 0.00 0.00 0.00 33.22 32.33 1jc0 n MET 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1jc0 h LYS 79 N 1.34 0.43 0.00 0.03 1.79 -1.51 -2.85 116.57 115.81 1jc0 h LYS 79 Ca 0.23 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1jc0 h LYS 79 Cb 1.83 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1jc0 h LYS 79 CO 0.52 0.46 0.00 0.00 -1.08 0.00 0.00 179.45 179.35 1jc0 h ARG 80 N 0.31 0.00 0.00 3.15 2.47 -1.90 -2.05 114.38 116.36 1jc0 h ARG 80 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1jc0 h ARG 80 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1jc0 h ARG 80 CO -0.01 0.00 -0.79 0.72 0.56 0.00 0.00 179.97 180.45 1jc0 n HIS 81 N -2.33 0.32 -0.49 3.04 8.25 -1.08 -4.25 115.22 118.68 1jc0 n HIS 81 Ca -0.01 0.09 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1jc0 n HIS 81 Cb 0.07 -0.47 -0.05 0.00 1.12 0.00 0.00 29.99 30.66 1jc0 n HIS 81 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jc0 n ASP 82 N -1.92 0.22 0.39 0.41 2.03 -0.77 -4.09 116.55 112.82 1jc0 n ASP 82 Ca 0.03 -1.72 -0.18 0.00 0.52 0.00 0.00 54.79 53.44 1jc0 n ASP 82 Cb 0.42 -0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 40.39 1jc0 n ASP 82 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1jc0 h PHE 83 N 8.32 -0.93 -0.25 -0.67 3.57 -1.83 -3.26 116.94 121.90 1jc0 h PHE 83 Ca 0.11 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1jc0 h PHE 83 Cb 0.41 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1jc0 h PHE 83 CO 1.19 -0.56 -0.14 1.19 -2.23 0.00 0.00 178.31 177.76 1jc0 n PHE 84 N -5.48 -0.11 0.20 0.41 3.72 -1.26 -1.32 117.46 113.61 1jc0 n PHE 84 Ca -0.14 0.31 -0.15 0.00 -0.05 0.00 0.00 57.45 57.42 1jc0 n PHE 84 Cb 0.41 -0.40 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1jc0 n PHE 84 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1jc0 h LYS 85 N 0.00 -0.43 -0.80 -1.08 1.57 -1.82 -3.14 116.57 110.87 1jc0 h LYS 85 Ca 0.04 0.03 0.32 0.00 -1.87 0.00 0.00 60.65 59.16 1jc0 h LYS 85 Cb 0.10 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 32.36 1jc0 h LYS 85 CO -0.23 -0.28 0.36 -1.13 -0.57 0.00 0.00 179.45 177.59 1jc0 n SER 86 N -5.29 0.21 0.00 0.86 3.41 -0.44 0.42 113.62 112.80 1jc0 n SER 86 Ca -0.10 1.34 0.05 0.00 -0.26 0.00 0.00 58.87 59.90 1jc0 n SER 86 Cb 0.20 -0.62 0.24 0.00 -0.26 0.00 0.00 64.21 63.77 1jc0 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jc0 n ALA 87 N -2.56 1.53 -2.12 7.33 0.00 -1.18 -4.51 120.51 119.00 1jc0 n ALA 87 Ca 0.28 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 1jc0 n ALA 87 Cb 0.96 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1jc0 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jc0 s MET 88 N -2.91 4.32 0.00 0.00 1.00 1.44 0.11 119.30 123.26 1jc0 s MET 88 Ca 0.06 0.90 0.27 0.00 0.00 0.00 0.00 55.69 56.93 1jc0 s MET 88 Cb 0.07 -3.08 0.92 0.00 0.00 0.00 0.00 34.83 32.74 1jc0 s MET 88 CO 0.19 0.51 1.67 -2.30 0.00 0.00 0.00 175.02 175.09 1jc0 n PRO 89 N 1.22 1.35 0.04 2.03 -0.01 -1.26 -3.99 135.00 134.38 1jc0 n PRO 89 Ca -0.05 -0.80 0.13 0.00 -0.01 0.00 0.00 63.50 62.77 1jc0 n PRO 89 Cb 0.50 -1.48 0.52 0.00 -0.01 0.00 0.00 33.50 33.02 1jc0 n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1jc0 n GLU 90 N -0.13 0.08 0.00 -0.52 0.00 -0.86 -3.26 120.64 115.95 1jc0 n GLU 90 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1jc0 n GLU 90 Cb 0.36 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.19 1jc0 n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jc0 n GLY 91 N 1.15 -0.37 3.70 -1.84 0.00 0.31 -4.47 105.19 103.68 1jc0 n GLY 91 Ca 0.06 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 1jc0 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jc0 s TYR 92 N 0.00 0.24 -0.22 1.61 -0.85 0.23 -0.60 117.35 117.76 1jc0 s TYR 92 Ca 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 57.07 55.80 1jc0 s TYR 92 Cb 0.00 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1jc0 s TYR 92 CO 0.00 -1.19 0.07 0.08 -1.52 0.00 0.00 175.55 172.99 1jc0 s VAL 93 N -3.55 4.59 -0.55 -3.49 1.01 1.11 0.77 120.40 120.30 1jc0 s VAL 93 Ca 0.19 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1jc0 s VAL 93 Cb -0.03 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1jc0 s VAL 93 CO 0.10 0.39 0.73 -1.58 0.00 0.00 0.00 175.10 174.75 1jc0 s GLN 94 N 0.99 3.13 -0.18 2.72 -0.44 0.49 0.15 119.66 126.53 1jc0 s GLN 94 Ca 0.04 -0.88 -0.01 0.00 -2.50 0.00 0.00 55.36 52.01 1jc0 s GLN 94 Cb -0.14 -4.14 -0.00 0.00 -1.64 0.00 0.00 33.01 27.09 1jc0 s GLN 94 CO 0.03 -1.40 -0.13 -1.21 0.50 0.00 0.00 175.29 173.08 1jc0 s GLU 95 N 3.01 3.24 0.00 1.67 2.02 1.46 -1.73 118.70 128.37 1jc0 s GLU 95 Ca 0.17 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 1jc0 s GLU 95 Cb -0.19 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 1jc0 s GLU 95 CO 0.12 -0.07 0.12 1.03 0.02 0.00 0.00 175.26 176.48 1jc0 s ARG 96 N 1.04 0.47 -0.16 1.61 0.52 -0.49 0.46 118.95 122.41 1jc0 s ARG 96 Ca -0.01 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1jc0 s ARG 96 Cb -0.15 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.54 1jc0 s ARG 96 CO -0.03 -0.11 -0.17 -0.08 0.02 0.00 0.00 175.30 174.93 1jc0 s THR 97 N -1.41 1.76 -0.20 0.02 -1.32 0.23 0.36 115.64 115.09 1jc0 s THR 97 Ca -0.15 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1jc0 s THR 97 Cb -0.08 -1.62 0.02 0.00 -1.51 0.00 0.00 72.50 69.31 1jc0 s THR 97 CO 0.01 0.49 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.12 1jc0 s ILE 98 N 1.35 2.32 -0.56 5.08 1.01 0.11 -0.83 121.20 129.68 1jc0 s ILE 98 Ca 0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1jc0 s ILE 98 Cb -0.13 -2.03 0.14 0.00 0.01 0.00 0.00 42.46 40.44 1jc0 s ILE 98 CO -0.10 0.46 0.51 -0.36 0.00 0.00 0.00 174.94 175.45 1jc0 s PHE 99 N 1.31 3.31 -0.13 3.97 0.40 -1.13 0.11 117.98 125.82 1jc0 s PHE 99 Ca 0.04 -1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 54.66 1jc0 s PHE 99 Cb -0.14 -3.77 -0.06 0.00 0.51 0.00 0.00 43.02 39.56 1jc0 s PHE 99 CO -0.10 -1.01 1.96 -0.06 0.70 0.00 0.00 175.22 176.70 1jc0 s PHE 100 N 1.44 1.48 0.21 0.36 0.40 -1.17 -3.70 117.98 117.00 1jc0 s PHE 100 Ca 0.05 0.19 -0.32 0.00 -0.60 0.00 0.00 56.93 56.25 1jc0 s PHE 100 Cb -0.28 -4.06 -0.13 0.00 0.51 0.00 0.00 43.02 39.06 1jc0 s PHE 100 CO 0.02 -4.27 1.49 1.17 0.70 0.00 0.00 175.22 174.33 1jc0 n LYS 101 N 8.02 2.12 -0.27 0.44 3.00 -1.13 -1.57 118.16 128.76 1jc0 n LYS 101 Ca 0.23 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1jc0 n LYS 101 Cb 0.44 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.00 1jc0 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jc0 n ASP 102 N 2.69 0.00 -0.08 3.14 8.00 -1.26 -4.87 116.55 124.17 1jc0 n ASP 102 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1jc0 n ASP 102 Cb 0.31 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1jc0 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jc0 n ASP 103 N 0.00 1.45 -1.58 -2.24 -0.08 -0.61 -4.95 116.55 108.54 1jc0 n ASP 103 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1jc0 n ASP 103 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jc0 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jc0 n GLY 104 N 3.63 -2.79 3.62 0.27 0.00 -1.18 -4.62 105.19 104.13 1jc0 n GLY 104 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 1jc0 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc0 s ASN 105 N -2.17 -0.30 -0.15 1.61 6.03 -0.91 -3.03 114.94 116.02 1jc0 s ASN 105 Ca 0.00 0.48 -0.06 0.00 -1.03 0.00 0.00 52.86 52.25 1jc0 s ASN 105 Cb 0.00 0.45 -0.04 0.00 -3.03 0.00 0.00 41.25 38.63 1jc0 s ASN 105 CO 0.00 -0.18 0.06 -0.31 -2.03 0.00 0.00 177.10 174.64 1jc0 s TYR 106 N -0.39 3.29 -0.13 1.54 2.02 0.30 -2.10 117.35 121.87 1jc0 s TYR 106 Ca 0.03 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1jc0 s TYR 106 Cb -0.03 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1jc0 s TYR 106 CO -0.06 0.34 -0.20 -1.59 -1.57 0.00 0.00 175.55 172.48 1jc0 s LYS 107 N -0.22 3.13 0.01 -0.62 -2.85 -0.56 0.05 119.74 118.68 1jc0 s LYS 107 Ca 0.08 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.26 1jc0 s LYS 107 Cb -0.12 -2.47 -0.01 0.00 -2.06 0.00 0.00 37.83 33.17 1jc0 s LYS 107 CO 0.01 0.08 -0.08 0.95 0.10 0.00 0.00 175.35 176.42 1jc0 s THR 108 N 0.61 0.59 -0.22 3.79 -4.23 0.16 -2.43 115.64 113.91 1jc0 s THR 108 Ca -0.11 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1jc0 s THR 108 Cb -0.16 -0.53 0.05 0.00 1.34 0.00 0.00 72.50 73.20 1jc0 s THR 108 CO 0.03 0.03 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.93 1jc0 s ARG 109 N -0.53 1.89 -0.00 3.99 3.00 -1.01 -1.39 118.95 124.90 1jc0 s ARG 109 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 55.73 54.71 1jc0 s ARG 109 Cb -0.05 -2.51 0.01 0.00 0.00 0.00 0.00 34.95 32.40 1jc0 s ARG 109 CO 0.00 -0.50 0.18 0.00 0.00 0.00 0.00 175.30 174.97 1jc0 s ALA 110 N 1.37 -0.43 -0.08 2.13 0.00 -0.70 0.18 121.76 124.23 1jc0 s ALA 110 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1jc0 s ALA 110 Cb -0.17 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1jc0 s ALA 110 CO -0.07 -0.21 -0.14 -1.21 0.00 0.00 0.00 175.76 174.13 1jc0 s GLU 111 N -1.30 2.86 -0.07 0.00 2.02 0.05 0.18 118.70 122.44 1jc0 s GLU 111 Ca -0.14 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 1jc0 s GLU 111 Cb -0.07 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.71 1jc0 s GLU 111 CO 0.02 0.46 0.01 0.54 0.02 0.00 0.00 175.26 176.31 1jc0 s VAL 112 N -0.30 0.32 0.32 2.63 0.11 0.23 -2.37 120.40 121.35 1jc0 s VAL 112 Ca 0.02 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 1jc0 s VAL 112 Cb -0.13 -0.48 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1jc0 s VAL 112 CO 0.03 0.25 0.78 -1.59 -3.33 0.00 0.00 175.10 171.24 1jc0 s LYS 113 N 1.92 1.95 0.12 1.54 0.00 -0.94 0.74 119.74 125.06 1jc0 s LYS 113 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 55.97 54.52 1jc0 s LYS 113 Cb -0.12 0.59 -0.07 0.00 0.00 0.00 0.00 37.83 38.23 1jc0 s LYS 113 CO -0.05 -0.91 1.20 -0.06 0.00 0.00 0.00 175.35 175.53 1jc0 s PHE 114 N -3.01 3.44 -0.87 1.78 0.08 -1.20 -1.12 117.98 117.09 1jc0 s PHE 114 Ca 0.14 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1jc0 s PHE 114 Cb -0.05 -3.42 0.26 0.00 -0.57 0.00 0.00 43.02 39.24 1jc0 s PHE 114 CO 0.09 -1.23 1.00 -0.85 -0.10 0.00 0.00 175.22 174.14 1jc0 n GLU 115 N 3.27 3.21 0.00 0.44 0.28 0.96 -4.91 120.64 123.89 1jc0 n GLU 115 Ca 0.07 -4.58 0.00 0.00 -0.16 0.00 0.00 57.16 52.49 1jc0 n GLU 115 Cb 0.46 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.94 1jc0 n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jc0 n GLY 116 N 1.45 1.29 2.25 -1.84 0.00 -1.26 -3.82 105.19 103.26 1jc0 n GLY 116 Ca 0.26 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1jc0 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jc0 n ASP 117 N 2.65 5.69 -4.07 1.61 5.68 -1.26 -4.94 116.55 121.92 1jc0 n ASP 117 Ca 0.00 -3.76 -0.21 0.00 -0.50 0.00 0.00 54.79 50.32 1jc0 n ASP 117 Cb 0.00 -0.56 -0.15 0.00 -1.14 0.00 0.00 41.12 39.27 1jc0 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1jc0 s THR 118 N -4.88 0.94 -0.14 2.12 2.01 -1.25 -4.52 115.64 109.91 1jc0 s THR 118 Ca 0.53 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 1jc0 s THR 118 Cb 0.43 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1jc0 s THR 118 CO -0.06 0.25 0.46 -0.22 -0.69 0.00 0.00 174.62 174.36 1jc0 s LEU 119 N -0.32 4.24 0.02 4.42 2.96 0.38 -0.03 118.68 130.36 1jc0 s LEU 119 Ca 0.04 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 1jc0 s LEU 119 Cb -0.05 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1jc0 s LEU 119 CO -0.00 -0.03 -0.10 0.54 -1.32 0.00 0.00 176.35 175.44 1jc0 s VAL 120 N 0.86 0.74 -0.30 1.68 0.11 -0.28 0.17 120.40 123.38 1jc0 s VAL 120 Ca 0.24 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1jc0 s VAL 120 Cb -0.15 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 1jc0 s VAL 120 CO 0.09 -0.06 -0.01 0.21 -3.33 0.00 0.00 175.10 172.00 1jc0 s ASN 121 N -0.93 4.81 -0.22 3.54 2.47 0.22 -2.22 114.94 122.61 1jc0 s ASN 121 Ca -0.02 -1.39 0.02 0.00 0.42 0.00 0.00 52.86 51.90 1jc0 s ASN 121 Cb -0.07 -1.68 0.04 0.00 -1.45 0.00 0.00 41.25 38.09 1jc0 s ASN 121 CO 0.00 -0.27 -0.15 -0.13 -3.72 0.00 0.00 177.10 172.84 1jc0 s ARG 122 N 1.20 2.57 0.02 0.43 0.52 -1.00 0.11 118.95 122.80 1jc0 s ARG 122 Ca -0.04 -1.10 0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1jc0 s ARG 122 Cb -0.20 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1jc0 s ARG 122 CO -0.02 -0.40 -0.19 0.42 0.02 0.00 0.00 175.30 175.12 1jc0 s ILE 123 N 1.19 1.50 -0.23 1.52 1.01 -0.26 -0.77 121.20 125.16 1jc0 s ILE 123 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1jc0 s ILE 123 Cb -0.17 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1jc0 s ILE 123 CO -0.09 0.28 -0.01 -1.61 0.00 0.00 0.00 174.94 173.51 1jc0 s GLU 124 N -0.83 3.36 -0.20 2.79 0.41 0.48 -2.46 118.70 122.25 1jc0 s GLU 124 Ca 0.07 -0.64 -0.03 0.00 -0.41 0.00 0.00 54.97 53.95 1jc0 s GLU 124 Cb -0.08 -3.10 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 1jc0 s GLU 124 CO 0.01 -0.23 -0.06 -1.17 -0.49 0.00 0.00 175.26 173.31 1jc0 s LEU 125 N 1.50 2.84 -0.26 1.80 2.96 1.55 -2.39 118.68 126.67 1jc0 s LEU 125 Ca 0.05 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1jc0 s LEU 125 Cb -0.15 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.90 1jc0 s LEU 125 CO -0.02 0.01 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.46 1jc0 s LYS 126 N 1.29 1.51 -0.03 1.98 1.02 -1.02 0.33 119.74 124.82 1jc0 s LYS 126 Ca 0.03 -1.11 0.02 0.00 0.02 0.00 0.00 55.97 54.94 1jc0 s LYS 126 Cb -0.14 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1jc0 s LYS 126 CO -0.03 -0.68 -0.07 0.20 -0.92 0.00 0.00 175.35 173.85 1jc0 s GLY 127 N 1.36 1.71 0.11 -3.33 0.00 1.71 -1.49 107.32 107.39 1jc0 s GLY 127 Ca -0.02 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 43.57 1jc0 s GLY 127 CO -0.08 -0.79 0.40 -0.26 0.00 0.00 0.00 173.10 172.37 1jc0 s ILE 128 N -0.90 0.07 -0.31 0.90 -5.25 -0.89 0.44 121.20 115.25 1jc0 s ILE 128 Ca 0.15 -0.56 0.00 0.00 -0.99 0.00 0.00 60.65 59.25 1jc0 s ILE 128 Cb -0.11 -1.13 0.00 0.00 2.95 0.00 0.00 42.46 44.17 1jc0 s ILE 128 CO 0.05 -0.31 0.00 0.47 -1.79 0.00 0.00 174.94 173.36 1jc0 n ASP 129 N -0.07 -2.86 -4.67 4.36 8.00 -1.26 -2.15 116.55 117.90 1jc0 n ASP 129 Ca -0.17 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.10 1jc0 n ASP 129 Cb 0.63 -1.15 0.18 0.00 -0.02 0.00 0.00 41.12 40.76 1jc0 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jc0 s PHE 130 N -2.13 2.07 -0.31 1.24 0.40 -1.26 -3.08 117.98 114.91 1jc0 s PHE 130 Ca 0.00 0.98 -0.03 0.00 -0.60 0.00 0.00 56.93 57.28 1jc0 s PHE 130 Cb 0.00 -3.27 0.05 0.00 0.51 0.00 0.00 43.02 40.31 1jc0 s PHE 130 CO 0.00 -2.95 0.03 0.15 0.70 0.00 0.00 175.22 173.15 1jc0 s LYS 131 N -4.96 2.47 0.36 0.44 3.01 -1.26 -4.69 119.74 115.11 1jc0 s LYS 131 Ca 0.65 -1.26 0.16 0.00 -1.01 0.00 0.00 55.97 54.52 1jc0 s LYS 131 Cb -0.19 -3.26 1.07 0.00 -1.01 0.00 0.00 37.83 34.45 1jc0 s LYS 131 CO 0.58 -0.64 1.70 1.05 0.51 0.00 0.00 175.35 178.55 1jc0 h GLU 132 N 8.05 0.38 -0.16 1.68 9.09 -1.96 4.15 114.58 135.82 1jc0 h GLU 132 Ca -0.21 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1jc0 h GLU 132 Cb 1.07 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 1jc0 h GLU 132 CO 0.55 0.25 0.00 -0.40 0.05 0.00 0.00 179.01 179.46 1jc0 n ASP 133 N -4.85 2.91 -4.73 3.06 5.68 -1.26 -3.80 116.55 113.56 1jc0 n ASP 133 Ca 0.29 -1.88 -0.31 0.00 -0.50 0.00 0.00 54.79 52.39 1jc0 n ASP 133 Cb 0.94 -0.09 0.11 0.00 -1.14 0.00 0.00 41.12 40.94 1jc0 n ASP 133 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1jc0 s GLY 134 N -1.55 1.77 0.34 6.12 0.00 1.37 -4.73 107.32 110.64 1jc0 s GLY 134 Ca 0.28 0.45 0.10 0.00 0.00 0.00 0.00 44.72 45.55 1jc0 s GLY 134 CO 0.26 0.83 1.79 3.43 0.00 0.00 0.00 173.10 179.41 1jc0 h ASN 135 N -1.22 0.67 0.47 1.64 2.35 -1.94 -0.37 115.58 117.18 1jc0 h ASN 135 Ca -0.44 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 1jc0 h ASN 135 Cb 1.25 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1jc0 h ASN 135 CO 0.48 0.22 -0.23 0.40 -1.65 0.00 0.00 177.43 176.65 1jc0 h ILE 136 N 0.64 0.11 -0.93 2.81 5.03 -1.92 1.89 117.51 125.14 1jc0 h ILE 136 Ca 0.57 -0.55 0.26 0.00 -0.12 0.00 0.00 64.86 65.02 1jc0 h ILE 136 Cb 1.05 0.17 -0.16 0.00 -3.03 0.00 0.00 36.82 34.84 1jc0 h ILE 136 CO -0.34 0.02 0.16 0.17 -0.68 0.00 0.00 178.15 177.49 1jc0 h LEU 137 N -1.13 -0.19 -2.64 1.44 8.10 -1.59 -1.63 115.31 117.67 1jc0 h LEU 137 Ca -0.06 0.24 0.00 0.00 0.11 0.00 0.00 57.88 58.16 1jc0 h LEU 137 Cb 0.52 0.36 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 1jc0 h LEU 137 CO 0.11 -0.27 0.00 0.61 -4.11 0.00 0.00 178.44 174.78 1jc0 n GLY 138 N -1.42 2.21 3.02 0.17 0.00 -0.18 -4.89 105.19 104.11 1jc0 n GLY 138 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1jc0 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jc0 n HIS 139 N 0.11 -3.03 0.77 1.61 8.25 -0.31 -4.93 115.22 117.70 1jc0 n HIS 139 Ca 0.06 1.16 0.11 0.00 -0.26 0.00 0.00 57.72 58.79 1jc0 n HIS 139 Cb 0.31 -4.10 0.05 0.00 1.12 0.00 0.00 29.99 27.37 1jc0 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jc0 n LYS 140 N -1.59 0.15 -2.63 -0.41 4.01 0.63 -4.94 118.16 113.38 1jc0 n LYS 140 Ca 0.01 -0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.40 1jc0 n LYS 140 Cb 0.49 -1.55 -0.04 0.00 -0.51 0.00 0.00 35.03 33.43 1jc0 n LYS 140 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1jc0 s LEU 141 N -3.49 4.45 0.92 -0.35 1.43 -1.25 0.22 118.68 120.61 1jc0 s LEU 141 Ca 0.06 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 1jc0 s LEU 141 Cb 0.16 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.93 1jc0 s LEU 141 CO 0.79 -0.20 1.10 -1.83 0.23 0.00 0.00 176.35 176.44 1jc0 s GLU 142 N 0.26 1.09 -1.30 1.70 -1.05 -0.45 -4.79 118.70 114.17 1jc0 s GLU 142 Ca 0.50 0.61 -0.08 0.00 -0.15 0.00 0.00 54.97 55.85 1jc0 s GLU 142 Cb -0.25 -1.81 0.15 0.00 -0.44 0.00 0.00 34.13 31.78 1jc0 s GLU 142 CO 0.31 -2.31 2.05 0.98 0.95 0.00 0.00 175.26 177.24 1jc0 n TYR 143 N -3.90 2.79 -4.07 4.83 9.36 -1.26 -4.85 117.16 120.06 1jc0 n TYR 143 Ca 0.06 -2.80 -0.15 0.00 3.32 0.00 0.00 57.90 58.34 1jc0 n TYR 143 Cb 0.57 -1.91 -0.04 0.00 -0.63 0.00 0.00 39.34 37.33 1jc0 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jc0 n ASN 144 N 3.12 -1.27 -3.60 2.98 0.23 -1.26 -4.85 115.26 110.61 1jc0 n ASN 144 Ca 0.47 -2.88 -0.14 0.00 -0.53 0.00 0.00 54.58 51.50 1jc0 n ASN 144 Cb 0.32 2.40 -0.07 0.00 -2.08 0.00 0.00 39.78 40.35 1jc0 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jc0 s TYR 145 N -3.00 -0.73 0.72 -2.53 5.04 -1.26 -4.86 117.35 110.73 1jc0 s TYR 145 Ca 0.29 1.66 -0.01 0.00 -2.44 0.00 0.00 57.07 56.58 1jc0 s TYR 145 Cb -0.01 0.31 0.12 0.00 0.35 0.00 0.00 41.96 42.74 1jc0 s TYR 145 CO 0.21 -0.42 0.99 -0.80 -1.34 0.00 0.00 175.55 174.19 1jc0 s ASN 146 N -0.02 4.37 -0.03 4.32 0.01 -1.26 -4.77 114.94 117.55 1jc0 s ASN 146 Ca -0.02 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1jc0 s ASN 146 Cb -0.04 -0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.54 1jc0 s ASN 146 CO 0.02 -1.85 0.13 0.00 -1.51 0.00 0.00 177.10 173.89 1jc0 s HIS 148 N -1.21 0.74 -0.31 0.00 3.76 0.49 -4.94 115.29 113.84 1jc0 s HIS 148 Ca 0.23 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1jc0 s HIS 148 Cb -0.12 -0.09 0.06 0.00 1.11 0.00 0.00 32.58 33.53 1jc0 s HIS 148 CO 0.14 -0.92 0.01 -0.80 -0.85 0.00 0.00 174.74 172.33 1jc0 s ASN 149 N -3.11 4.89 -0.34 1.40 0.02 -1.26 0.15 114.94 116.70 1jc0 s ASN 149 Ca 0.29 -1.39 -0.24 0.00 -1.02 0.00 0.00 52.86 50.50 1jc0 s ASN 149 Cb 0.02 -1.71 0.01 0.00 0.02 0.00 0.00 41.25 39.58 1jc0 s ASN 149 CO 0.12 -0.29 0.84 -0.69 0.02 0.00 0.00 177.10 177.10 1jc0 s VAL 150 N 1.22 4.71 -0.16 1.60 1.01 0.19 -4.76 120.40 124.21 1jc0 s VAL 150 Ca -0.03 1.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.87 1jc0 s VAL 150 Cb -0.20 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1jc0 s VAL 150 CO -0.02 -0.39 0.61 -0.31 0.00 0.00 0.00 175.10 174.99 1jc0 s TYR 151 N 3.16 3.43 0.07 5.22 2.02 -0.74 0.16 117.35 130.68 1jc0 s TYR 151 Ca 0.34 0.96 0.06 0.00 -0.37 0.00 0.00 57.07 58.06 1jc0 s TYR 151 Cb -0.13 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.65 1jc0 s TYR 151 CO 0.15 -0.07 -0.16 0.42 -1.57 0.00 0.00 175.55 174.33 1jc0 s ILE 152 N 1.48 1.23 0.32 2.71 1.09 0.21 -1.39 121.20 126.85 1jc0 s ILE 152 Ca 0.29 -1.33 -0.19 0.00 -1.10 0.00 0.00 60.65 58.33 1jc0 s ILE 152 Cb -0.16 -1.16 0.03 0.00 -1.06 0.00 0.00 42.46 40.11 1jc0 s ILE 152 CO 0.11 -0.17 0.74 0.00 -0.10 0.00 0.00 174.94 175.52 1jc0 s MET 153 N -1.72 1.95 -0.07 2.79 0.23 -1.00 -1.17 119.30 120.32 1jc0 s MET 153 Ca -0.00 -1.16 -0.30 0.00 -1.03 0.00 0.00 55.69 53.20 1jc0 s MET 153 Cb -0.10 0.61 -0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1jc0 s MET 153 CO 0.03 -0.90 1.04 0.00 -2.03 0.00 0.00 175.02 173.16 1jc0 s ALA 154 N -3.34 3.36 -0.83 3.16 0.00 -1.10 0.34 121.76 123.35 1jc0 s ALA 154 Ca 0.13 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1jc0 s ALA 154 Cb -0.06 -3.43 0.31 0.00 0.00 0.00 0.00 23.12 19.95 1jc0 s ALA 154 CO 0.09 -0.54 1.28 -3.47 0.00 0.00 0.00 175.76 173.11 1jc0 n ASP 155 N 4.75 5.59 0.00 0.00 2.03 -1.21 -4.86 116.55 122.85 1jc0 n ASP 155 Ca 0.08 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.81 1jc0 n ASP 155 Cb 0.49 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1jc0 n ASP 155 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1jc0 n LYS 156 N 0.35 0.00 -1.85 -0.67 2.85 -1.26 -3.15 118.16 114.43 1jc0 n LYS 156 Ca 0.34 0.44 -0.36 0.00 -1.05 0.00 0.00 58.31 57.68 1jc0 n LYS 156 Cb 0.34 -0.69 -0.03 0.00 -0.65 0.00 0.00 35.03 34.00 1jc0 n LYS 156 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1jc0 s GLN 157 N -2.41 2.39 0.00 -1.58 -2.07 -1.26 -2.44 119.66 112.28 1jc0 s GLN 157 Ca 0.00 0.85 0.00 0.00 -1.82 0.00 0.00 55.36 54.39 1jc0 s GLN 157 Cb 0.00 -4.51 0.00 0.00 -1.09 0.00 0.00 33.01 27.41 1jc0 s GLN 157 CO 0.00 -3.03 0.00 0.36 -1.32 0.00 0.00 175.29 171.30 1jc0 n LYS 158 N 9.10 0.00 0.00 9.60 2.85 -1.19 -4.95 118.16 133.57 1jc0 n LYS 158 Ca 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1jc0 n LYS 158 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1jc0 n LYS 158 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jc0 n ASN 159 N 0.00 0.00 0.00 -5.58 4.13 -1.02 -4.89 115.26 107.90 1jc0 n ASN 159 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jc0 n ASN 159 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jc0 n ASN 159 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc0 n GLY 160 N 0.00 1.53 3.37 7.41 0.00 -1.24 -4.68 105.19 111.58 1jc0 n GLY 160 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jc0 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jc0 s ILE 161 N 3.78 0.00 -0.35 -0.61 -5.25 -1.15 -3.30 121.20 114.32 1jc0 s ILE 161 Ca 0.00 -1.75 -0.05 0.00 -0.99 0.00 0.00 60.65 57.86 1jc0 s ILE 161 Cb 0.00 -2.38 0.06 0.00 2.95 0.00 0.00 42.46 43.09 1jc0 s ILE 161 CO 0.00 0.00 0.12 -0.75 -1.79 0.00 0.00 174.94 172.52 1jc0 s LYS 162 N -4.08 2.45 -0.02 0.37 2.47 0.15 -3.07 119.74 118.02 1jc0 s LYS 162 Ca 0.32 -1.36 0.00 0.00 -1.56 0.00 0.00 55.97 53.37 1jc0 s LYS 162 Cb 0.04 -3.46 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1jc0 s LYS 162 CO 0.11 -0.77 0.02 0.08 0.16 0.00 0.00 175.35 174.95 1jc0 s VAL 163 N 1.32 4.34 -0.13 4.02 1.01 -0.72 -2.37 120.40 127.87 1jc0 s VAL 163 Ca -0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1jc0 s VAL 163 Cb -0.21 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1jc0 s VAL 163 CO 0.00 0.41 0.74 0.54 0.00 0.00 0.00 175.10 176.79 1jc0 s ASN 164 N -1.48 -0.65 0.04 3.32 2.20 -0.49 -1.09 114.94 116.80 1jc0 s ASN 164 Ca 0.19 0.88 -0.28 0.00 -0.94 0.00 0.00 52.86 52.71 1jc0 s ASN 164 Cb -0.12 0.77 0.10 0.00 -2.00 0.00 0.00 41.25 40.00 1jc0 s ASN 164 CO 0.10 -0.47 1.20 0.72 -2.94 0.00 0.00 177.10 175.70 1jc0 s PHE 165 N -0.72 -0.02 -0.13 1.54 -0.71 -1.11 -1.78 117.98 115.04 1jc0 s PHE 165 Ca -0.07 -0.16 -0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1jc0 s PHE 165 Cb -0.02 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.41 1jc0 s PHE 165 CO 0.06 -0.46 -0.08 0.15 -1.34 0.00 0.00 175.22 173.55 1jc0 s LYS 166 N -2.41 1.67 -0.13 1.99 1.02 -1.26 0.35 119.74 120.98 1jc0 s LYS 166 Ca 0.19 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.62 1jc0 s LYS 166 Cb 0.02 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1jc0 s LYS 166 CO -0.01 -0.30 0.48 0.42 -0.92 0.00 0.00 175.35 175.03 1jc0 s ILE 167 N 1.64 5.18 -0.32 2.17 -1.09 0.24 -4.85 121.20 124.18 1jc0 s ILE 167 Ca 0.04 0.96 -0.10 0.00 -2.23 0.00 0.00 60.65 59.32 1jc0 s ILE 167 Cb -0.13 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1jc0 s ILE 167 CO -0.09 0.31 0.16 -0.13 -1.23 0.00 0.00 174.94 173.97 1jc0 s ARG 168 N 0.72 3.27 -0.33 2.79 0.52 -1.26 0.02 118.95 124.68 1jc0 s ARG 168 Ca 0.26 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1jc0 s ARG 168 Cb -0.15 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1jc0 s ARG 168 CO 0.10 -0.46 0.18 -1.01 0.02 0.00 0.00 175.30 174.14 1jc0 s HIS 169 N 1.61 3.20 0.10 -0.53 3.76 0.85 -4.51 115.29 119.77 1jc0 s HIS 169 Ca 0.04 -0.64 -0.31 0.00 -0.15 0.00 0.00 55.06 54.01 1jc0 s HIS 169 Cb -0.17 -2.40 -0.09 0.00 1.11 0.00 0.00 32.58 31.03 1jc0 s HIS 169 CO 0.06 -0.50 1.72 -0.80 -0.85 0.00 0.00 174.74 174.38 1jc0 s ASN 170 N 1.61 6.53 0.05 1.40 0.01 -1.26 -1.61 114.94 121.67 1jc0 s ASN 170 Ca 0.04 2.61 -0.08 0.00 -0.71 0.00 0.00 52.86 54.72 1jc0 s ASN 170 Cb -0.18 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.87 1jc0 s ASN 170 CO 0.07 -0.93 0.33 -0.63 -1.51 0.00 0.00 177.10 174.42 1jc0 s ILE 171 N 2.62 5.21 0.35 0.60 1.09 0.96 -1.34 121.20 130.68 1jc0 s ILE 171 Ca 0.77 0.26 0.11 0.00 -1.10 0.00 0.00 60.65 60.68 1jc0 s ILE 171 Cb -0.43 -3.61 0.33 0.00 -1.06 0.00 0.00 42.46 37.70 1jc0 s ILE 171 CO 0.34 0.30 1.80 1.05 -0.10 0.00 0.00 174.94 178.33 1jc0 h GLU 172 N 3.76 0.61 0.00 2.79 4.11 0.24 -0.90 114.58 125.19 1jc0 h GLU 172 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1jc0 h GLU 172 Cb 1.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1jc0 h GLU 172 CO 0.67 0.40 0.00 -0.40 0.07 0.00 0.00 179.01 179.75 1jc0 n ASP 173 N -4.68 0.00 0.00 3.06 5.75 -1.26 -4.78 116.55 114.64 1jc0 n ASP 173 Ca 0.22 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1jc0 n ASP 173 Cb 0.64 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1jc0 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jc0 n GLY 174 N -0.30 0.55 0.00 6.12 0.00 -0.34 -5.08 105.19 106.14 1jc0 n GLY 174 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jc0 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jc0 n SER 175 N 0.00 0.00 -3.64 1.61 3.41 -1.23 -4.82 113.62 108.94 1jc0 n SER 175 Ca 0.00 -0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 57.94 1jc0 n SER 175 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1jc0 n SER 175 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jc0 s VAL 176 N 0.02 -0.00 -0.15 -3.33 0.11 -1.26 -0.03 120.40 115.76 1jc0 s VAL 176 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1jc0 s VAL 176 Cb 0.00 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1jc0 s VAL 176 CO 0.00 0.00 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.16 1jc0 s GLN 177 N 0.42 3.65 0.62 1.54 0.74 -0.63 -4.90 119.66 121.11 1jc0 s GLN 177 Ca -0.01 -0.50 -0.14 0.00 0.05 0.00 0.00 55.36 54.76 1jc0 s GLN 177 Cb -0.05 -2.92 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 1jc0 s GLN 177 CO -0.00 0.27 1.06 -1.17 -0.55 0.00 0.00 175.29 174.89 1jc0 s LEU 178 N 0.29 3.38 -0.36 3.68 2.96 -1.25 -0.11 118.68 127.27 1jc0 s LEU 178 Ca -0.03 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.64 1jc0 s LEU 178 Cb -0.14 -4.52 0.15 0.00 0.50 0.00 0.00 46.19 42.18 1jc0 s LEU 178 CO 0.03 -1.24 0.31 0.00 -1.32 0.00 0.00 176.35 174.13 1jc0 s ALA 179 N -2.65 0.07 -0.53 5.97 0.00 0.10 -2.83 121.76 121.90 1jc0 s ALA 179 Ca 0.62 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1jc0 s ALA 179 Cb -0.15 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1jc0 s ALA 179 CO 0.42 -2.11 1.18 0.34 0.00 0.00 0.00 175.76 175.59 1jc0 s ASP 180 N 1.34 6.53 0.16 0.00 2.15 -1.24 0.82 116.67 126.42 1jc0 s ASP 180 Ca 0.17 0.29 -0.18 0.00 0.43 0.00 0.00 52.55 53.26 1jc0 s ASP 180 Cb -0.18 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.81 1jc0 s ASP 180 CO -0.03 -1.38 0.62 -1.00 -0.17 0.00 0.00 175.17 173.21 1jc0 s HIS 181 N 4.75 3.68 -0.25 -5.34 3.76 1.07 -2.83 115.29 120.13 1jc0 s HIS 181 Ca 0.46 1.25 -0.02 0.00 -0.15 0.00 0.00 55.06 56.60 1jc0 s HIS 181 Cb -0.07 -2.50 0.08 0.00 1.11 0.00 0.00 32.58 31.19 1jc0 s HIS 181 CO 0.29 0.44 0.06 0.71 -0.85 0.00 0.00 174.74 175.38 1jc0 s TYR 182 N -1.39 1.38 -0.02 1.40 2.02 -0.01 -2.75 117.35 117.98 1jc0 s TYR 182 Ca 0.37 -1.29 0.05 0.00 -0.37 0.00 0.00 57.07 55.83 1jc0 s TYR 182 Cb -0.17 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1jc0 s TYR 182 CO 0.20 -0.74 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.13 1jc0 s GLN 183 N 1.74 1.46 -0.12 -0.62 0.74 -0.25 0.77 119.66 123.38 1jc0 s GLN 183 Ca 0.03 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 54.90 1jc0 s GLN 183 Cb -0.17 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 32.59 1jc0 s GLN 183 CO -0.16 0.30 -0.23 1.14 -0.55 0.00 0.00 175.29 175.79 1jc0 s GLN 184 N -0.21 3.04 -0.26 1.67 0.00 1.61 -1.76 119.66 123.75 1jc0 s GLN 184 Ca 0.02 -0.87 -0.01 0.00 -0.00 0.00 0.00 55.36 54.50 1jc0 s GLN 184 Cb -0.08 -2.37 0.03 0.00 0.00 0.00 0.00 33.01 30.59 1jc0 s GLN 184 CO 0.00 0.09 -0.05 -0.80 0.00 0.00 0.00 175.29 174.53 1jc0 s ASN 185 N 0.57 4.44 -0.03 12.60 -0.87 -1.17 0.43 114.94 130.90 1jc0 s ASN 185 Ca -0.13 -0.98 0.03 0.00 -1.57 0.00 0.00 52.86 50.21 1jc0 s ASN 185 Cb -0.17 -1.67 -0.00 0.00 -0.02 0.00 0.00 41.25 39.39 1jc0 s ASN 185 CO 0.04 -0.16 -0.12 -0.89 -2.57 0.00 0.00 177.10 173.40 1jc0 s THR 186 N 1.30 1.05 -0.11 1.60 2.01 0.40 -2.91 115.64 118.98 1jc0 s THR 186 Ca -0.01 -0.51 -0.34 0.00 0.31 0.00 0.00 61.69 61.13 1jc0 s THR 186 Cb -0.17 -0.91 -0.12 0.00 0.01 0.00 0.00 72.50 71.31 1jc0 s THR 186 CO -0.04 0.31 1.89 -0.81 -0.69 0.00 0.00 174.62 175.29 1jc0 n PRO 187 N 3.18 2.10 0.00 4.92 -0.04 -1.26 0.36 135.00 144.25 1jc0 n PRO 187 Ca -0.18 0.76 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 1jc0 n PRO 187 Cb 0.54 -2.63 0.54 0.00 -0.04 0.00 0.00 33.50 31.91 1jc0 n PRO 187 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jc0 n ILE 188 N 5.24 0.35 -1.08 0.52 5.41 0.23 -4.78 119.36 125.26 1jc0 n ILE 188 Ca 0.23 0.09 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1jc0 n ILE 188 Cb 0.29 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1jc0 n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jc0 n GLY 189 N 0.59 5.26 0.00 7.39 0.00 -1.26 -4.97 105.19 112.21 1jc0 n GLY 189 Ca 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1jc0 n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jc0 n ASP 190 N 0.00 0.00 -4.77 1.61 3.85 -1.26 -5.10 116.55 110.88 1jc0 n ASP 190 Ca 0.00 -0.61 -0.38 0.00 -0.71 0.00 0.00 54.79 53.09 1jc0 n ASP 190 Cb 0.00 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 1jc0 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1jc0 s GLY 191 N 0.00 2.88 0.05 6.12 0.00 -1.26 -4.93 107.32 110.18 1jc0 s GLY 191 Ca 0.00 0.52 -0.33 0.00 0.00 0.00 0.00 44.72 44.90 1jc0 s GLY 191 CO 0.00 0.99 0.84 -1.55 0.00 0.00 0.00 173.10 173.37 1jc0 n PRO 192 N 0.86 0.00 -4.66 2.90 -0.04 -1.26 -4.95 135.00 127.85 1jc0 n PRO 192 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1jc0 n PRO 192 Cb 0.49 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1jc0 n PRO 192 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jc0 s VAL 193 N -0.26 2.18 -0.26 0.52 1.01 -1.26 -4.94 120.40 117.40 1jc0 s VAL 193 Ca 0.76 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1jc0 s VAL 193 Cb -1.07 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1jc0 s VAL 193 CO 0.52 0.23 1.69 -0.76 0.00 0.00 0.00 175.10 176.78 1jc0 s LEU 194 N -1.63 3.75 0.09 3.92 1.43 -1.26 -5.01 118.68 119.98 1jc0 s LEU 194 Ca 0.13 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 1jc0 s LEU 194 Cb -0.10 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 1jc0 s LEU 194 CO 0.04 -1.43 0.66 -0.76 0.23 0.00 0.00 176.35 175.09 1jc0 s LEU 195 N 5.82 4.53 0.08 1.79 1.43 -1.26 -3.10 118.68 127.97 1jc0 s LEU 195 Ca 0.75 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.16 1jc0 s LEU 195 Cb -0.24 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.86 1jc0 s LEU 195 CO 0.31 0.22 0.38 -2.16 0.23 0.00 0.00 176.35 175.32 1jc0 s PRO 196 N -0.94 3.70 0.00 1.29 0.04 -1.26 -4.57 135.00 133.25 1jc0 s PRO 196 Ca 0.32 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1jc0 s PRO 196 Cb -0.21 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1jc0 s PRO 196 CO 0.22 0.55 0.00 -0.25 0.04 0.00 0.00 177.00 177.56 1jc0 n ASP 197 N 0.74 -0.63 -4.72 6.66 9.92 -1.26 -2.71 116.55 124.55 1jc0 n ASP 197 Ca -0.07 -0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 53.44 1jc0 n ASP 197 Cb 0.52 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.96 1jc0 n ASP 197 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1jc0 s ASN 198 N -1.48 7.09 0.06 -2.24 -0.87 -1.26 -4.34 114.94 111.90 1jc0 s ASN 198 Ca 0.00 1.31 -0.13 0.00 -1.57 0.00 0.00 52.86 52.47 1jc0 s ASN 198 Cb 0.00 -2.45 0.04 0.00 -0.02 0.00 0.00 41.25 38.83 1jc0 s ASN 198 CO 0.00 -0.11 0.59 0.00 -2.57 0.00 0.00 177.10 175.00 1jc0 n HIS 199 N 3.62 -0.74 -4.04 2.20 1.44 -0.31 -4.72 115.22 112.67 1jc0 n HIS 199 Ca -0.00 -0.57 -0.13 0.00 -2.01 0.00 0.00 57.72 55.01 1jc0 n HIS 199 Cb 0.51 0.27 -0.04 0.00 0.12 0.00 0.00 29.99 30.86 1jc0 n HIS 199 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1jc0 n TYR 200 N -0.42 -1.04 -3.86 -1.40 0.18 -0.79 0.65 117.16 110.49 1jc0 n TYR 200 Ca 0.00 -1.98 -0.26 0.00 1.88 0.00 0.00 57.90 57.55 1jc0 n TYR 200 Cb 0.31 0.37 -0.17 0.00 -0.38 0.00 0.00 39.34 39.47 1jc0 n TYR 200 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1jc0 s LEU 201 N 0.00 1.00 -0.49 -3.48 1.02 0.42 -2.44 118.68 114.71 1jc0 s LEU 201 Ca 0.26 -0.25 -0.29 0.00 0.02 0.00 0.00 54.13 53.87 1jc0 s LEU 201 Cb -0.00 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.52 1jc0 s LEU 201 CO 0.18 -0.15 1.28 -0.55 0.02 0.00 0.00 176.35 177.13 1jc0 s SER 202 N 1.80 6.42 -0.08 2.29 0.15 -0.31 -0.63 113.70 123.33 1jc0 s SER 202 Ca 0.05 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.18 1jc0 s SER 202 Cb -0.13 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1jc0 s SER 202 CO -0.07 -1.43 -0.08 -0.89 1.20 0.00 0.00 173.24 171.97 1jc0 s THR 203 N 5.12 3.61 -0.01 6.45 2.01 0.39 -1.99 115.64 131.22 1jc0 s THR 203 Ca 0.52 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1jc0 s THR 203 Cb -0.10 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 1jc0 s THR 203 CO 0.30 0.58 -0.06 0.00 -0.69 0.00 0.00 174.62 174.75 1jc0 s SER 205 N 0.01 0.59 -0.17 0.00 0.01 -1.26 0.88 113.70 113.76 1jc0 s SER 205 Ca 0.00 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1jc0 s SER 205 Cb -0.04 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1jc0 s SER 205 CO -0.00 0.04 -0.13 0.00 0.41 0.00 0.00 173.24 173.56 1jc0 s ALA 206 N -0.19 1.94 -0.00 1.44 0.00 0.68 -4.61 121.76 121.01 1jc0 s ALA 206 Ca 0.01 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1jc0 s ALA 206 Cb -0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 1jc0 s ALA 206 CO -0.00 -0.50 0.43 -0.51 0.00 0.00 0.00 175.76 175.18 1jc0 s LEU 207 N 1.45 4.46 0.34 0.00 1.43 -1.26 -1.73 118.68 123.37 1jc0 s LEU 207 Ca 0.03 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1jc0 s LEU 207 Cb -0.14 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.47 1jc0 s LEU 207 CO -0.10 0.29 0.56 -0.94 0.23 0.00 0.00 176.35 176.38 1jc0 s SER 208 N -0.90 0.55 0.29 2.29 1.04 0.53 -4.96 113.70 112.53 1jc0 s SER 208 Ca 0.24 -1.32 0.11 0.00 0.48 0.00 0.00 55.95 55.46 1jc0 s SER 208 Cb -0.17 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1jc0 s SER 208 CO 0.14 -1.38 -0.17 -0.54 0.98 0.00 0.00 173.24 172.27 1jc0 s LYS 209 N -2.99 1.67 -0.65 4.02 -0.14 -1.26 -0.53 119.74 119.86 1jc0 s LYS 209 Ca 0.25 -1.79 -0.24 0.00 -1.36 0.00 0.00 55.97 52.84 1jc0 s LYS 209 Cb -0.02 -1.68 0.06 0.00 -1.68 0.00 0.00 37.83 34.51 1jc0 s LYS 209 CO 0.17 0.27 1.01 0.34 -0.76 0.00 0.00 175.35 176.37 1jc0 s ASP 210 N -3.51 6.20 0.22 2.83 2.15 -1.26 -4.89 116.67 118.41 1jc0 s ASP 210 Ca 0.30 -0.79 0.06 0.00 0.43 0.00 0.00 52.55 52.55 1jc0 s ASP 210 Cb -0.03 -2.44 0.65 0.00 -0.30 0.00 0.00 42.92 40.80 1jc0 s ASP 210 CO 0.14 -1.47 1.04 -2.65 -0.17 0.00 0.00 175.17 172.07 1jc0 n PRO 211 N 7.93 -0.05 -1.71 4.34 -0.02 -1.26 0.12 135.00 144.36 1jc0 n PRO 211 Ca -0.02 0.96 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 1jc0 n PRO 211 Cb 0.46 -1.60 0.05 0.00 -0.02 0.00 0.00 33.50 32.40 1jc0 n PRO 211 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1jc0 n ASN 212 N -4.73 6.76 -4.07 2.55 0.23 -1.26 -5.00 115.26 109.74 1jc0 n ASN 212 Ca 0.19 -3.78 -0.32 0.00 -0.53 0.00 0.00 54.58 50.14 1jc0 n ASN 212 Cb 0.64 -0.80 -0.16 0.00 -2.08 0.00 0.00 39.78 37.38 1jc0 n ASN 212 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1jc0 s GLU 213 N -3.80 2.57 0.36 -3.83 2.56 0.33 -4.92 118.70 111.96 1jc0 s GLU 213 Ca 0.58 -0.82 0.27 0.00 0.00 0.00 0.00 54.97 55.00 1jc0 s GLU 213 Cb 0.46 -2.46 1.01 0.00 2.00 0.00 0.00 34.13 35.14 1jc0 s GLU 213 CO -0.09 -0.29 1.79 0.87 -0.56 0.00 0.00 175.26 176.98 1jc0 h LYS 214 N 7.96 0.00 -7.08 4.30 1.79 -1.95 -3.44 116.57 118.16 1jc0 h LYS 214 Ca -0.38 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.59 1jc0 h LYS 214 Cb 1.12 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.83 1jc0 h LYS 214 CO 0.56 0.00 0.43 -0.98 -1.08 0.00 0.00 179.45 178.38 1jc0 s ARG 215 N -3.38 3.49 -0.66 3.15 1.04 -1.26 -4.96 118.95 116.38 1jc0 s ARG 215 Ca 0.05 1.57 -0.25 0.00 -1.04 0.00 0.00 55.73 56.06 1jc0 s ARG 215 Cb 0.09 -2.06 0.05 0.00 -2.04 0.00 0.00 34.95 30.99 1jc0 s ARG 215 CO 0.50 -0.73 1.08 0.34 -0.04 0.00 0.00 175.30 176.45 1jc0 s ASP 216 N -1.78 6.23 0.37 -2.89 2.15 -1.26 -4.97 116.67 114.52 1jc0 s ASP 216 Ca 0.71 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 53.16 1jc0 s ASP 216 Cb -0.23 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1jc0 s ASP 216 CO 0.26 -1.53 0.22 -1.38 -0.17 0.00 0.00 175.17 172.57 1jc0 s HIS 217 N 4.67 1.77 -0.19 -5.34 -3.43 -1.26 -2.92 115.29 108.60 1jc0 s HIS 217 Ca 0.30 -1.53 -0.04 0.00 -0.80 0.00 0.00 55.06 52.98 1jc0 s HIS 217 Cb -0.12 -0.90 0.09 0.00 -1.43 0.00 0.00 32.58 30.22 1jc0 s HIS 217 CO 0.15 -0.65 0.31 1.41 -2.00 0.00 0.00 174.74 173.96 1jc0 s MET 218 N -3.53 0.24 -0.27 -0.38 0.00 0.39 -4.94 119.30 110.80 1jc0 s MET 218 Ca 0.33 0.62 -0.12 0.00 0.00 0.00 0.00 55.69 56.53 1jc0 s MET 218 Cb 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 34.83 34.46 1jc0 s MET 218 CO 0.22 -0.45 0.24 0.08 0.00 0.00 0.00 175.02 175.11 1jc0 s VAL 219 N 2.47 5.28 0.14 10.11 1.01 0.30 -0.37 120.40 139.34 1jc0 s VAL 219 Ca 0.05 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.42 1jc0 s VAL 219 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jc0 s VAL 219 CO -0.12 0.24 -0.26 -0.22 0.00 0.00 0.00 175.10 174.74 1jc0 s LEU 220 N 1.72 2.34 -0.03 3.92 0.20 -1.12 0.20 118.68 125.90 1jc0 s LEU 220 Ca 0.09 -0.76 0.02 0.00 0.69 0.00 0.00 54.13 54.17 1jc0 s LEU 220 Cb -0.16 -1.18 0.01 0.00 -0.43 0.00 0.00 46.19 44.44 1jc0 s LEU 220 CO 0.10 0.16 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.47 1jc0 s LEU 221 N -2.15 1.68 0.01 -0.68 1.02 -0.70 -1.70 118.68 116.16 1jc0 s LEU 221 Ca 0.14 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1jc0 s LEU 221 Cb -0.10 -0.56 -0.01 0.00 0.02 0.00 0.00 46.19 45.54 1jc0 s LEU 221 CO 0.06 0.04 -0.04 -0.70 0.02 0.00 0.00 176.35 175.73 1jc0 s GLU 222 N 0.40 0.34 -0.12 1.70 2.12 -0.67 -0.23 118.70 122.24 1jc0 s GLU 222 Ca -0.07 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1jc0 s GLU 222 Cb -0.11 -0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.10 1jc0 s GLU 222 CO 0.01 0.05 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.70 1jc0 s PHE 223 N -0.59 1.07 -0.03 5.30 0.08 0.25 -2.31 117.98 121.76 1jc0 s PHE 223 Ca -0.04 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1jc0 s PHE 223 Cb -0.05 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 1jc0 s PHE 223 CO -0.00 -0.47 -0.06 0.08 -0.10 0.00 0.00 175.22 174.67 1jc0 s VAL 224 N 1.84 0.58 0.03 -0.44 1.01 -0.70 -0.75 120.40 121.97 1jc0 s VAL 224 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1jc0 s VAL 224 Cb -0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1jc0 s VAL 224 CO -0.07 0.21 -0.05 -0.89 0.00 0.00 0.00 175.10 174.30 1jc0 s THR 225 N 0.45 0.31 0.18 3.92 2.01 -0.84 -1.05 115.64 120.61 1jc0 s THR 225 Ca -0.06 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1jc0 s THR 225 Cb -0.10 -0.39 -0.07 0.00 0.01 0.00 0.00 72.50 71.95 1jc0 s THR 225 CO 0.00 -0.35 0.54 0.00 -0.69 0.00 0.00 174.62 174.12 1jc0 s ALA 226 N -1.18 3.58 0.36 7.40 0.00 0.11 -1.17 121.76 130.87 1jc0 s ALA 226 Ca -0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1jc0 s ALA 226 Cb -0.08 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.61 1jc0 s ALA 226 CO -0.00 0.48 0.68 0.00 0.00 0.00 0.00 175.76 176.92 1jc0 n ALA 227 N 0.42 -1.38 -2.38 0.00 0.00 -1.02 -4.70 120.51 111.44 1jc0 n ALA 227 Ca -0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 53.44 52.15 1jc0 n ALA 227 Cb 0.52 1.00 0.00 0.00 0.00 0.00 0.00 19.45 20.97 1jc0 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jc0 n GLY 228 N -0.51 0.73 0.00 0.00 0.00 -1.26 -1.88 105.19 102.27 1jc0 n GLY 228 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jc0 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71