#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gaj s GLU 6 N 0.00 4.56 -0.08 0.03 2.12 -1.26 0.69 118.70 124.77 1gaj s GLU 6 Ca 0.00 1.56 0.10 0.00 0.36 0.00 0.00 54.97 56.99 1gaj s GLU 6 Cb 0.00 -3.38 -0.15 0.00 0.26 0.00 0.00 34.13 30.86 1gaj s GLU 6 CO 0.00 -0.02 0.11 1.51 -0.54 0.00 0.00 175.26 176.31 1gaj n ILE 7 N 3.42 0.51 -3.84 -3.70 3.06 0.70 -4.69 119.36 114.82 1gaj n ILE 7 Ca 0.05 -0.40 -0.12 0.00 -2.50 0.00 0.00 62.75 59.78 1gaj n ILE 7 Cb 0.49 -0.41 -0.13 0.00 0.54 0.00 0.00 39.64 40.12 1gaj n ILE 7 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1gaj s LEU 8 N -4.48 1.64 -0.02 9.51 2.96 -0.75 0.75 118.68 128.28 1gaj s LEU 8 Ca -0.05 0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.86 1gaj s LEU 8 Cb 0.05 0.25 0.02 0.00 0.50 0.00 0.00 46.19 47.01 1gaj s LEU 8 CO 0.46 -0.04 0.31 0.00 -1.32 0.00 0.00 176.35 175.77 1gaj s ARG 9 N 0.14 0.66 -0.04 1.98 1.70 -0.63 0.09 118.95 122.86 1gaj s ARG 9 Ca -0.01 -0.16 0.06 0.00 -0.47 0.00 0.00 55.73 55.15 1gaj s ARG 9 Cb -0.02 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1gaj s ARG 9 CO -0.00 -0.18 -0.22 0.95 -1.08 0.00 0.00 175.30 174.77 1gaj s THR 10 N -1.26 1.78 -0.39 4.99 -4.23 0.01 0.06 115.64 116.59 1gaj s THR 10 Ca -0.13 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1gaj s THR 10 Cb -0.05 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.38 1gaj s THR 10 CO 0.04 0.50 0.18 -1.61 -0.54 0.00 0.00 174.62 173.20 1gaj s GLU 11 N -0.24 2.31 -1.18 3.99 2.02 0.11 -2.50 118.70 123.21 1gaj s GLU 11 Ca 0.01 -1.57 -0.24 0.00 0.02 0.00 0.00 54.97 53.18 1gaj s GLU 11 Cb -0.11 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.55 1gaj s GLU 11 CO 0.02 -0.94 0.73 0.09 0.02 0.00 0.00 175.26 175.18 1gaj n ASN 12 N 4.72 -4.64 -4.70 -0.19 3.02 -1.18 -1.25 115.26 111.03 1gaj n ASN 12 Ca -0.07 -1.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.95 1gaj n ASN 12 Cb 0.42 -2.84 -0.03 0.00 -0.61 0.00 0.00 39.78 36.73 1gaj n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gaj s ILE 13 N -3.52 3.82 -0.01 2.41 -1.09 -0.34 -3.35 121.20 119.11 1gaj s ILE 13 Ca 0.45 1.23 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 1gaj s ILE 13 Cb -0.19 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1gaj s ILE 13 CO 0.90 0.03 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.72 1gaj s VAL 14 N 1.96 1.78 -0.05 2.92 1.01 0.12 -1.80 120.40 126.33 1gaj s VAL 14 Ca 0.61 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1gaj s VAL 14 Cb -0.30 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1gaj s VAL 14 CO 0.27 0.47 0.13 -0.75 0.00 0.00 0.00 175.10 175.22 1gaj s LYS 15 N -0.60 0.12 0.04 2.72 2.47 -1.25 0.24 119.74 123.48 1gaj s LYS 15 Ca 0.09 0.26 0.09 0.00 -1.56 0.00 0.00 55.97 54.85 1gaj s LYS 15 Cb -0.09 -0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.21 1gaj s LYS 15 CO -0.01 -0.08 -0.26 0.71 0.16 0.00 0.00 175.35 175.87 1gaj s TYR 16 N 0.56 2.31 -0.44 4.03 1.51 -1.26 -2.72 117.35 121.34 1gaj s TYR 16 Ca -0.04 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1gaj s TYR 16 Cb -0.06 -1.39 0.13 0.00 -0.11 0.00 0.00 41.96 40.53 1gaj s TYR 16 CO -0.03 0.11 0.21 -0.06 -1.11 0.00 0.00 175.55 174.68 1gaj s PHE 17 N -0.79 2.41 0.00 2.71 0.08 -0.16 -4.95 117.98 117.28 1gaj s PHE 17 Ca 0.12 -2.59 0.00 0.00 0.12 0.00 0.00 56.93 54.58 1gaj s PHE 17 Cb -0.10 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.15 1gaj s PHE 17 CO 0.02 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1gaj n GLY 18 N 3.65 2.12 0.06 4.36 0.00 -1.26 -2.17 105.19 111.95 1gaj n GLY 18 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1gaj n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gaj n GLU 19 N 6.51 0.81 -1.85 1.61 -0.58 -1.26 -4.96 120.64 120.91 1gaj n GLU 19 Ca 0.00 -0.08 -0.41 0.00 -0.42 0.00 0.00 57.16 56.24 1gaj n GLU 19 Cb 0.00 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 1gaj n GLU 19 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1gaj s PHE 20 N -2.84 2.84 -0.99 -0.32 5.36 -0.92 -4.96 117.98 116.14 1gaj s PHE 20 Ca -0.08 0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 56.63 1gaj s PHE 20 Cb 0.09 -3.99 0.25 0.00 -0.34 0.00 0.00 43.02 39.02 1gaj s PHE 20 CO 0.80 -3.32 0.95 0.21 -1.46 0.00 0.00 175.22 172.40 1gaj s LYS 21 N -0.40 3.88 0.28 10.12 2.20 -1.26 -0.99 119.74 133.56 1gaj s LYS 21 Ca 0.62 -2.98 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 1gaj s LYS 21 Cb -0.46 -4.43 0.51 0.00 -1.51 0.00 0.00 37.83 31.94 1gaj s LYS 21 CO 0.46 -1.26 1.86 0.00 -0.36 0.00 0.00 175.35 176.05 1gaj h ALA 22 N 6.94 1.49 -3.01 3.13 0.00 -1.88 -3.42 119.26 122.51 1gaj h ALA 22 Ca 0.15 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 1gaj h ALA 22 Cb 0.92 -0.25 -0.18 0.00 0.00 0.00 0.00 17.79 18.28 1gaj h ALA 22 CO 0.91 0.30 -0.79 -0.51 0.00 0.00 0.00 179.25 179.16 1gaj s LEU 23 N -10.18 2.43 -0.42 0.00 1.43 -1.15 -3.62 118.68 107.18 1gaj s LEU 23 Ca -0.12 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.16 1gaj s LEU 23 Cb 0.21 -0.93 0.17 0.00 0.03 0.00 0.00 46.19 45.67 1gaj s LEU 23 CO 0.81 0.01 0.38 -0.62 0.23 0.00 0.00 176.35 177.16 1gaj s ASP 24 N -2.66 1.16 -1.13 2.29 -1.08 0.12 -3.81 116.67 111.56 1gaj s ASP 24 Ca 0.17 -2.72 -0.08 0.00 -0.52 0.00 0.00 52.55 49.40 1gaj s ASP 24 Cb -0.06 -0.06 -0.03 0.00 -1.46 0.00 0.00 42.92 41.30 1gaj s ASP 24 CO 0.08 -0.17 0.87 0.61 0.52 0.00 0.00 175.17 177.07 1gaj n GLY 25 N 3.06 -0.87 3.67 2.66 0.00 -0.75 -4.63 105.19 108.33 1gaj n GLY 25 Ca 0.26 0.42 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 1gaj n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gaj s VAL 26 N -3.45 5.03 -0.05 1.61 1.01 -0.77 -4.55 120.40 119.23 1gaj s VAL 26 Ca 0.33 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1gaj s VAL 26 Cb -0.07 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1gaj s VAL 26 CO 0.78 0.14 -0.19 -0.44 0.00 0.00 0.00 175.10 175.40 1gaj s SER 27 N 1.09 2.33 -0.01 3.32 0.01 -1.26 -1.20 113.70 117.98 1gaj s SER 27 Ca 0.31 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 1gaj s SER 27 Cb -0.16 -0.69 0.02 0.00 0.21 0.00 0.00 66.02 65.40 1gaj s SER 27 CO 0.12 0.16 0.28 0.27 0.41 0.00 0.00 173.24 174.48 1gaj s ILE 28 N 0.05 0.06 -0.02 1.44 -4.36 -1.04 -4.92 121.20 112.41 1gaj s ILE 28 Ca -0.05 -0.51 0.06 0.00 -0.26 0.00 0.00 60.65 59.89 1gaj s ILE 28 Cb -0.12 -0.58 -0.01 0.00 1.25 0.00 0.00 42.46 43.00 1gaj s ILE 28 CO 0.03 -0.28 -0.19 -0.55 0.24 0.00 0.00 174.94 174.19 1gaj s SER 29 N -1.32 2.26 -0.06 4.36 0.15 -1.26 -0.81 113.70 117.03 1gaj s SER 29 Ca -0.14 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1gaj s SER 29 Cb -0.06 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1gaj s SER 29 CO 0.04 0.22 -0.04 -0.69 1.20 0.00 0.00 173.24 173.97 1gaj s VAL 30 N -0.34 0.59 0.30 4.45 1.01 0.11 -4.99 120.40 121.54 1gaj s VAL 30 Ca 0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1gaj s VAL 30 Cb -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.55 1gaj s VAL 30 CO 0.00 0.26 0.85 0.20 0.00 0.00 0.00 175.10 176.42 1gaj s ASN 31 N 1.35 7.17 0.30 3.32 0.02 -1.26 -0.21 114.94 125.63 1gaj s ASN 31 Ca -0.04 1.64 -0.28 0.00 -1.02 0.00 0.00 52.86 53.16 1gaj s ASN 31 Cb -0.13 -2.51 -0.14 0.00 0.02 0.00 0.00 41.25 38.49 1gaj s ASN 31 CO -0.03 -0.07 1.10 1.17 0.02 0.00 0.00 177.10 179.30 1gaj n LYS 32 N 0.46 1.57 -0.93 -0.60 4.81 0.22 -1.09 118.16 122.60 1gaj n LYS 32 Ca 0.01 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1gaj n LYS 32 Cb 0.51 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1gaj n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gaj n GLY 33 N 1.14 0.35 3.91 3.14 0.00 -1.26 -4.98 105.19 107.49 1gaj n GLY 33 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1gaj n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gaj s ASP 34 N -2.16 6.35 -0.40 1.61 1.11 -0.25 -4.82 116.67 118.11 1gaj s ASP 34 Ca 0.00 0.81 -0.02 0.00 0.18 0.00 0.00 52.55 53.52 1gaj s ASP 34 Cb 0.00 -2.19 0.11 0.00 1.07 0.00 0.00 42.92 41.91 1gaj s ASP 34 CO 0.00 -0.41 0.19 -0.69 1.18 0.00 0.00 175.17 175.44 1gaj s VAL 35 N -2.45 3.20 -0.22 -1.27 1.01 -1.26 -0.36 120.40 119.06 1gaj s VAL 35 Ca 0.46 -2.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 1gaj s VAL 35 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1gaj s VAL 35 CO 0.38 -0.67 0.11 -0.89 0.00 0.00 0.00 175.10 174.03 1gaj s THR 36 N 1.13 5.04 0.03 3.92 2.01 0.58 -1.16 115.64 127.19 1gaj s THR 36 Ca 0.08 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1gaj s THR 36 Cb -0.22 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1gaj s THR 36 CO -0.04 0.39 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.94 1gaj s LEU 37 N 0.86 2.96 -0.03 4.42 2.96 0.32 0.08 118.68 130.26 1gaj s LEU 37 Ca 0.06 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1gaj s LEU 37 Cb -0.13 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1gaj s LEU 37 CO 0.03 0.25 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.49 1gaj s ILE 38 N -1.01 1.51 0.20 6.68 1.01 0.09 -1.55 121.20 128.13 1gaj s ILE 38 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1gaj s ILE 38 Cb -0.11 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1gaj s ILE 38 CO 0.08 0.43 0.09 0.27 0.00 0.00 0.00 174.94 175.81 1gaj s ILE 39 N -0.23 0.27 0.00 2.92 -4.36 -0.32 -3.48 121.20 116.01 1gaj s ILE 39 Ca 0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1gaj s ILE 39 Cb -0.09 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1gaj s ILE 39 CO 0.01 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1gaj n GLY 40 N -0.30 3.23 3.73 6.27 0.00 -1.26 0.05 105.19 116.90 1gaj n GLY 40 Ca -0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1gaj n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gaj s PRO 41 N -2.03 2.16 0.21 1.61 0.04 -1.26 -4.90 135.00 130.83 1gaj s PRO 41 Ca 0.00 1.59 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 1gaj s PRO 41 Cb 0.00 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1gaj s PRO 41 CO 0.00 -1.79 1.53 0.09 0.04 0.00 0.00 177.00 176.87 1gaj n ASN 42 N -2.92 3.10 0.00 6.66 5.03 -1.26 -2.45 115.26 123.42 1gaj n ASN 42 Ca 0.12 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.68 1gaj n ASN 42 Cb 0.51 -1.45 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 1gaj n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gaj n GLY 43 N 2.87 1.04 0.37 7.41 0.00 -1.26 -4.99 105.19 110.62 1gaj n GLY 43 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1gaj n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gaj n SER 44 N 0.00 1.35 0.00 1.61 3.41 -1.02 -4.41 113.62 114.56 1gaj n SER 44 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1gaj n SER 44 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1gaj n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gaj n GLY 45 N 1.30 0.57 0.09 5.00 0.00 -1.26 -1.05 105.19 109.84 1gaj n GLY 45 Ca 0.14 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1gaj n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gaj h LYS 46 N 0.58 0.12 0.01 1.61 1.57 -1.92 0.61 116.57 119.15 1gaj h LYS 46 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gaj h LYS 46 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1gaj h LYS 46 CO 0.00 0.08 -0.01 0.77 -0.57 0.00 0.00 179.45 179.72 1gaj h SER 47 N 0.13 -0.02 -0.72 0.86 0.02 -1.99 -1.85 113.55 109.98 1gaj h SER 47 Ca 0.06 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1gaj h SER 47 Cb 0.03 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 1gaj h SER 47 CO -0.05 0.25 0.33 0.74 -1.14 0.00 0.00 176.83 176.96 1gaj h THR 48 N -0.29 0.78 -0.14 -2.27 2.02 -1.93 0.26 112.91 111.34 1gaj h THR 48 Ca -0.00 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1gaj h THR 48 Cb 0.28 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1gaj h THR 48 CO 0.00 0.10 -0.00 0.25 0.37 0.00 0.00 175.52 176.24 1gaj h LEU 49 N 0.54 -0.05 -0.89 2.58 5.85 -0.70 0.56 115.31 123.20 1gaj h LEU 49 Ca 0.37 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.13 1gaj h LEU 49 Cb 0.46 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1gaj h LEU 49 CO -0.32 -0.01 0.58 0.40 -0.34 0.00 0.00 178.44 178.76 1gaj h ILE 50 N 0.05 1.23 -0.57 4.05 1.08 -0.32 -1.58 117.51 121.45 1gaj h ILE 50 Ca 0.06 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 64.03 1gaj h ILE 50 Cb 0.08 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 1gaj h ILE 50 CO -0.11 0.22 0.05 0.78 -0.69 0.00 0.00 178.15 178.41 1gaj h ASN 51 N 1.21 0.91 0.02 1.72 2.35 -0.03 -1.13 115.58 120.62 1gaj h ASN 51 Ca 0.32 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1gaj h ASN 51 Cb -0.13 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.00 1gaj h ASN 51 CO -0.07 0.93 -0.01 0.58 -1.65 0.00 0.00 177.43 177.22 1gaj h VAL 52 N 0.88 1.17 -0.42 2.81 2.07 -0.30 0.28 116.25 122.73 1gaj h VAL 52 Ca 0.17 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1gaj h VAL 52 Cb 0.45 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1gaj h VAL 52 CO 0.02 0.14 0.16 0.40 0.02 0.00 0.00 177.57 178.31 1gaj h ILE 53 N -0.26 0.89 0.00 4.57 2.04 -1.14 -1.70 117.51 121.91 1gaj h ILE 53 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1gaj h ILE 53 Cb 0.25 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1gaj h ILE 53 CO 0.00 0.06 0.00 0.35 0.00 0.00 0.00 178.15 178.56 1gaj n THR 54 N -4.99 0.24 -0.55 -0.27 -2.24 -0.44 -4.88 114.28 101.15 1gaj n THR 54 Ca 0.03 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1gaj n THR 54 Cb 0.15 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1gaj n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gaj n GLY 55 N 0.76 0.73 0.09 3.38 0.00 -0.64 -4.30 105.19 105.21 1gaj n GLY 55 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1gaj n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gaj n PHE 56 N -2.54 0.00 -4.09 1.61 3.72 0.84 -4.29 117.46 112.72 1gaj n PHE 56 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1gaj n PHE 56 Cb 0.00 -0.21 -0.11 0.00 -0.94 0.00 0.00 39.48 38.21 1gaj n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1gaj s LEU 57 N -2.79 2.27 -0.08 4.37 1.43 -0.36 -4.91 118.68 118.61 1gaj s LEU 57 Ca 0.17 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1gaj s LEU 57 Cb 0.18 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1gaj s LEU 57 CO 0.61 -0.19 0.41 -0.54 0.23 0.00 0.00 176.35 176.87 1gaj s LYS 58 N -1.68 4.15 -0.15 1.70 -0.14 -1.26 -4.37 119.74 117.99 1gaj s LYS 58 Ca -0.08 0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 54.59 1gaj s LYS 58 Cb -0.10 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1gaj s LYS 58 CO 0.01 0.38 1.13 0.00 -0.76 0.00 0.00 175.35 176.11 1gaj s ALA 59 N -0.07 3.59 0.18 5.17 0.00 -1.26 -4.88 121.76 124.48 1gaj s ALA 59 Ca 0.23 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 1gaj s ALA 59 Cb -0.15 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.50 1gaj s ALA 59 CO 0.10 -0.94 1.48 -0.44 0.00 0.00 0.00 175.76 175.97 1gaj h ASP 60 N 7.58 0.70 -5.19 0.00 3.32 -0.59 -3.46 116.42 118.79 1gaj h ASP 60 Ca -0.26 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.31 1gaj h ASP 60 Cb 1.11 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 1gaj h ASP 60 CO 0.93 1.11 -0.52 -1.61 -1.72 0.00 0.00 179.24 177.43 1gaj s GLU 61 N -4.04 0.72 0.00 3.56 0.41 -0.93 -4.96 118.70 113.45 1gaj s GLU 61 Ca -0.08 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 1gaj s GLU 61 Cb 0.11 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.73 1gaj s GLU 61 CO 0.85 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.85 1gaj n GLY 62 N 0.09 -0.37 3.29 -1.39 0.00 -1.21 0.15 105.19 105.75 1gaj n GLY 62 Ca -0.15 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1gaj n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gaj s ARG 63 N -1.36 1.34 -0.05 1.61 0.52 -0.38 -4.89 118.95 115.74 1gaj s ARG 63 Ca 0.00 -1.72 0.01 0.00 -0.52 0.00 0.00 55.73 53.51 1gaj s ARG 63 Cb 0.00 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1gaj s ARG 63 CO 0.00 -0.28 -0.06 0.08 0.02 0.00 0.00 175.30 175.06 1gaj s VAL 64 N -3.78 0.62 -0.12 3.52 1.01 -1.26 -0.72 120.40 119.66 1gaj s VAL 64 Ca 0.36 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1gaj s VAL 64 Cb 0.07 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1gaj s VAL 64 CO 0.12 0.24 -0.17 -0.31 0.00 0.00 0.00 175.10 174.98 1gaj s TYR 65 N 0.86 2.23 -0.27 5.22 1.51 0.11 -1.43 117.35 125.58 1gaj s TYR 65 Ca -0.12 -1.11 -0.03 0.00 -1.01 0.00 0.00 57.07 54.80 1gaj s TYR 65 Cb -0.15 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1gaj s TYR 65 CO 0.01 -0.55 -0.01 0.12 -1.11 0.00 0.00 175.55 174.01 1gaj s PHE 66 N 1.00 3.14 -1.31 2.71 5.36 0.05 -1.60 117.98 127.31 1gaj s PHE 66 Ca -0.05 -1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 54.41 1gaj s PHE 66 Cb -0.15 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1gaj s PHE 66 CO -0.03 -0.71 0.85 0.39 -1.46 0.00 0.00 175.22 174.26 1gaj n GLU 67 N 4.71 -5.64 -1.76 10.12 1.02 0.23 -1.51 120.64 127.80 1gaj n GLU 67 Ca -0.15 0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 57.47 1gaj n GLU 67 Cb 0.46 -5.44 -0.07 0.00 -0.02 0.00 0.00 31.44 26.37 1gaj n GLU 67 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1gaj n ASN 68 N -3.04 -5.57 -4.53 1.62 5.15 -1.26 -4.97 115.26 102.66 1gaj n ASN 68 Ca -0.23 0.41 -0.34 0.00 -0.60 0.00 0.00 54.58 53.82 1gaj n ASN 68 Cb 0.65 -4.86 -0.12 0.00 -0.53 0.00 0.00 39.78 34.92 1gaj n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1gaj s LYS 69 N -4.02 3.19 -0.26 1.20 2.47 -0.57 -5.06 119.74 116.70 1gaj s LYS 69 Ca 0.00 -0.55 -0.29 0.00 -1.56 0.00 0.00 55.97 53.57 1gaj s LYS 69 Cb 0.00 -2.73 -0.01 0.00 -1.46 0.00 0.00 37.83 33.64 1gaj s LYS 69 CO 0.00 0.45 1.34 0.34 0.16 0.00 0.00 175.35 177.64 1gaj s ASP 70 N -0.22 6.70 0.00 1.43 -1.08 -1.26 -0.77 116.67 121.46 1gaj s ASP 70 Ca 0.03 1.38 0.04 0.00 -0.52 0.00 0.00 52.55 53.49 1gaj s ASP 70 Cb -0.13 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.85 1gaj s ASP 70 CO 0.03 -1.03 0.78 2.30 0.52 0.00 0.00 175.17 177.77 1gaj n ILE 71 N 6.03 0.32 -1.51 4.11 -5.35 -0.51 -4.97 119.36 117.48 1gaj n ILE 71 Ca 0.15 -0.66 -0.56 0.00 -0.27 0.00 0.00 62.75 61.41 1gaj n ILE 71 Cb 0.46 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.19 1gaj n ILE 71 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1gaj n THR 72 N 0.12 0.29 -2.77 7.28 -1.04 -1.17 -2.07 114.28 114.92 1gaj n THR 72 Ca 0.03 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.79 1gaj n THR 72 Cb 0.17 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1gaj n THR 72 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gaj n ASN 73 N 1.76 -4.65 -4.83 8.00 3.02 -1.26 -4.98 115.26 112.32 1gaj n ASN 73 Ca 0.19 -0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 1gaj n ASN 73 Cb 0.13 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 1gaj n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gaj s LYS 74 N -5.40 4.11 0.47 3.52 1.02 -0.88 -5.04 119.74 117.54 1gaj s LYS 74 Ca 0.16 0.64 -0.23 0.00 0.02 0.00 0.00 55.97 56.55 1gaj s LYS 74 Cb -0.08 -3.04 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1gaj s LYS 74 CO 0.19 0.53 1.27 -1.21 -0.92 0.00 0.00 175.35 175.21 1gaj s GLU 75 N -1.63 3.61 0.56 1.68 0.41 -1.26 -4.53 118.70 117.54 1gaj s GLU 75 Ca 0.35 2.03 0.31 0.00 -0.41 0.00 0.00 54.97 57.25 1gaj s GLU 75 Cb -0.17 -2.45 1.46 0.00 -1.78 0.00 0.00 34.13 31.19 1gaj s GLU 75 CO 0.19 -0.75 1.85 -1.00 -0.49 0.00 0.00 175.26 175.07 1gaj h PRO 76 N 2.02 0.00 -0.26 0.39 0.13 -1.75 0.62 132.00 133.15 1gaj h PRO 76 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1gaj h PRO 76 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1gaj h PRO 76 CO 0.60 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.19 1gaj h ALA 77 N 1.45 1.20 0.16 -0.56 0.00 -1.84 -1.20 119.26 118.46 1gaj h ALA 77 Ca 0.38 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1gaj h ALA 77 Cb 1.66 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.35 1gaj h ALA 77 CO -0.00 0.51 -0.91 1.49 0.00 0.00 0.00 179.25 180.34 1gaj h GLU 78 N 0.42 0.34 -0.08 0.00 4.81 -0.14 -3.25 114.58 116.69 1gaj h GLU 78 Ca 0.07 -0.58 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1gaj h GLU 78 Cb 0.56 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1gaj h GLU 78 CO 0.04 1.27 0.08 -0.07 -0.73 0.00 0.00 179.01 179.60 1gaj h LEU 79 N -0.28 0.00 -1.11 1.64 3.38 -0.85 -0.68 115.31 117.41 1gaj h LEU 79 Ca -0.16 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1gaj h LEU 79 Cb 1.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 1gaj h LEU 79 CO 0.17 0.00 0.61 0.22 0.09 0.00 0.00 178.44 179.53 1gaj h TYR 80 N 0.00 1.05 0.00 1.13 3.20 -1.25 0.16 116.97 121.25 1gaj h TYR 80 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1gaj h TYR 80 Cb 0.20 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1gaj h TYR 80 CO 0.00 0.44 0.00 0.72 -1.64 0.00 0.00 178.16 177.68 1gaj n HIS 81 N -4.58 0.80 0.90 -3.82 8.25 -0.26 -2.39 115.22 114.12 1gaj n HIS 81 Ca 0.17 0.31 0.11 0.00 -0.26 0.00 0.00 57.72 58.05 1gaj n HIS 81 Cb 0.35 -1.00 0.06 0.00 1.12 0.00 0.00 29.99 30.52 1gaj n HIS 81 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1gaj n TYR 82 N -2.22 0.05 -0.21 4.41 4.01 0.53 -4.97 117.16 118.75 1gaj n TYR 82 Ca 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1gaj n TYR 82 Cb 0.24 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1gaj n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gaj n GLY 83 N 1.47 0.87 3.65 2.72 0.00 -0.96 -4.86 105.19 108.08 1gaj n GLY 83 Ca 0.04 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1gaj n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gaj s ILE 84 N -2.00 4.45 0.03 -0.61 1.01 -1.11 -0.05 121.20 122.91 1gaj s ILE 84 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1gaj s ILE 84 Cb 0.00 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1gaj s ILE 84 CO 0.00 0.54 0.31 0.54 0.00 0.00 0.00 174.94 176.33 1gaj s VAL 85 N -0.30 0.08 0.05 2.92 0.11 -0.77 -4.11 120.40 118.37 1gaj s VAL 85 Ca 0.07 -0.63 0.09 0.00 -2.93 0.00 0.00 61.98 58.58 1gaj s VAL 85 Cb -0.12 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1gaj s VAL 85 CO 0.02 -0.35 -0.24 -0.60 -3.33 0.00 0.00 175.10 170.60 1gaj s ARG 86 N -2.29 1.84 0.29 1.54 3.52 -1.26 -0.58 118.95 122.01 1gaj s ARG 86 Ca -0.07 -1.10 -0.19 0.00 -0.13 0.00 0.00 55.73 54.24 1gaj s ARG 86 Cb -0.02 -2.03 -0.09 0.00 -1.56 0.00 0.00 34.95 31.25 1gaj s ARG 86 CO -0.02 0.51 0.79 0.95 -0.81 0.00 0.00 175.30 176.72 1gaj s THR 87 N -0.86 4.53 -0.07 4.11 -4.23 -0.35 -4.85 115.64 113.91 1gaj s THR 87 Ca 0.13 1.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.97 1gaj s THR 87 Cb -0.10 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 1gaj s THR 87 CO 0.03 0.02 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.57 1gaj s PHE 88 N -1.74 2.57 0.33 3.99 0.08 -1.26 -4.75 117.98 117.19 1gaj s PHE 88 Ca 0.49 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 1gaj s PHE 88 Cb -0.14 -1.66 -0.10 0.00 -0.57 0.00 0.00 43.02 40.54 1gaj s PHE 88 CO 0.19 -0.17 1.32 -1.14 -0.10 0.00 0.00 175.22 175.33 1gaj s GLN 89 N -0.11 4.34 -0.15 0.44 0.74 -1.26 -4.86 119.66 118.80 1gaj s GLN 89 Ca -0.04 2.24 -0.29 0.00 0.05 0.00 0.00 55.36 57.32 1gaj s GLN 89 Cb -0.14 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 1gaj s GLN 89 CO 0.04 -0.22 1.11 0.99 -0.55 0.00 0.00 175.29 176.66 1gaj s THR 90 N -1.05 4.55 0.77 -0.34 2.01 -1.26 -4.98 115.64 115.33 1gaj s THR 90 Ca 0.50 1.85 -0.11 0.00 0.31 0.00 0.00 61.69 64.24 1gaj s THR 90 Cb -0.40 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 67.97 1gaj s THR 90 CO 0.53 -0.09 1.08 -2.84 -0.69 0.00 0.00 174.62 172.61 1gaj s PRO 91 N 2.76 2.34 0.21 4.92 0.02 -1.26 -4.91 135.00 139.07 1gaj s PRO 91 Ca 0.50 0.77 -0.10 0.00 0.02 0.00 0.00 61.00 62.18 1gaj s PRO 91 Cb -0.19 -1.94 0.15 0.00 0.02 0.00 0.00 34.50 32.54 1gaj s PRO 91 CO 0.14 -1.47 1.87 0.37 -0.33 0.00 0.00 177.00 177.58 1gaj h GLN 92 N -0.99 0.98 -0.96 5.54 5.75 -1.99 -2.26 115.11 121.19 1gaj h GLN 92 Ca -0.46 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.08 1gaj h GLN 92 Cb 1.25 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1gaj h GLN 92 CO 0.58 0.66 0.61 -1.35 -2.65 0.00 0.00 178.83 176.68 1gaj h PRO 93 N 1.01 0.94 0.00 -2.39 0.11 -2.02 0.50 132.00 130.15 1gaj h PRO 93 Ca 0.27 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 1gaj h PRO 93 Cb -0.10 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.79 1gaj h PRO 93 CO -0.06 0.62 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.98 1gaj h LEU 94 N 0.97 0.00 -1.62 2.35 3.38 -1.80 -2.86 115.31 115.73 1gaj h LEU 94 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1gaj h LEU 94 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1gaj h LEU 94 CO -0.21 0.30 0.00 0.11 0.09 0.00 0.00 178.44 178.73 1gaj h LYS 95 N 0.00 0.00 0.00 1.13 1.57 -0.46 -0.56 116.57 118.25 1gaj h LYS 95 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gaj h LYS 95 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1gaj h LYS 95 CO 0.04 0.00 -0.11 0.39 -0.57 0.00 0.00 179.45 179.20 1gaj n GLU 96 N -2.81 0.06 -3.71 3.15 -0.58 -1.08 -1.03 120.64 114.65 1gaj n GLU 96 Ca -0.00 0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 1gaj n GLU 96 Cb 0.21 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 1gaj n GLU 96 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1gaj s MET 97 N -3.03 3.47 0.91 3.49 -1.94 -0.22 -4.82 119.30 117.17 1gaj s MET 97 Ca 0.13 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 1gaj s MET 97 Cb 0.17 -2.81 0.14 0.00 2.01 0.00 0.00 34.83 34.34 1gaj s MET 97 CO 0.58 0.33 1.09 0.95 -0.01 0.00 0.00 175.02 177.97 1gaj s THR 98 N -2.05 2.56 0.25 2.05 -4.23 -1.26 -0.78 115.64 112.17 1gaj s THR 98 Ca 0.37 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1gaj s THR 98 Cb -0.10 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.29 1gaj s THR 98 CO 0.31 -0.24 1.88 0.58 -0.54 0.00 0.00 174.62 176.61 1gaj h VAL 99 N -1.60 1.25 -0.11 2.29 2.07 -1.16 -0.98 116.25 118.00 1gaj h VAL 99 Ca -0.50 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1gaj h VAL 99 Cb 1.29 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1gaj h VAL 99 CO 0.55 0.28 0.05 0.25 0.02 0.00 0.00 177.57 178.71 1gaj h LEU 100 N 1.21 0.15 -1.46 2.57 5.85 -1.72 -2.40 115.31 119.51 1gaj h LEU 100 Ca 0.31 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1gaj h LEU 100 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1gaj h LEU 100 CO -0.05 0.27 0.39 -0.33 -0.34 0.00 0.00 178.44 178.38 1gaj h GLU 101 N 0.03 0.69 0.00 1.25 5.08 -1.75 0.10 114.58 119.99 1gaj h GLU 101 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1gaj h GLU 101 Cb 0.16 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gaj h GLU 101 CO -0.00 0.46 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.39 1gaj h ASN 102 N 0.71 0.00 0.31 1.42 2.35 -0.72 0.64 115.58 120.30 1gaj h ASN 102 Ca 0.23 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.65 1gaj h ASN 102 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1gaj h ASN 102 CO -0.06 0.16 -1.63 -0.07 -1.65 0.00 0.00 177.43 174.18 1gaj h LEU 103 N 0.00 0.55 -1.83 1.61 3.38 -0.50 -3.37 115.31 115.16 1gaj h LEU 103 Ca -0.00 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1gaj h LEU 103 Cb 0.45 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1gaj h LEU 103 CO 0.02 1.64 -0.07 -0.07 0.09 0.00 0.00 178.44 180.05 1gaj h LEU 104 N 0.10 0.02 -0.54 1.67 3.38 0.07 -1.41 115.31 118.58 1gaj h LEU 104 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1gaj h LEU 104 Cb 2.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1gaj h LEU 104 CO 0.18 0.09 0.00 2.30 0.09 0.00 0.00 178.44 181.11 1gaj n ILE 105 N -4.44 0.95 0.42 1.22 -5.35 0.13 -1.79 119.36 110.50 1gaj n ILE 105 Ca -0.03 0.30 0.09 0.00 -0.27 0.00 0.00 62.75 62.84 1gaj n ILE 105 Cb 0.16 -1.19 0.40 0.00 -1.74 0.00 0.00 39.64 37.27 1gaj n ILE 105 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gaj n GLY 106 N -0.20 -1.12 0.10 3.28 0.00 -0.53 -3.04 105.19 103.68 1gaj n GLY 106 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1gaj n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gaj h GLU 107 N 0.00 0.00 -0.34 1.61 4.39 -1.53 -3.30 114.58 115.41 1gaj h GLU 107 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1gaj h GLU 107 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1gaj h GLU 107 CO 0.00 0.29 0.12 -0.84 -1.16 0.00 0.00 179.01 177.41 1gaj h ILE 108 N 0.00 1.20 -2.12 3.13 3.07 -1.68 -3.36 117.51 117.75 1gaj h ILE 108 Ca -0.13 -0.63 -0.51 0.00 1.55 0.00 0.00 64.86 65.14 1gaj h ILE 108 Cb 1.51 0.98 -0.34 0.00 -0.27 0.00 0.00 36.82 38.69 1gaj h ILE 108 CO 0.04 0.22 -0.90 -3.20 -1.05 0.00 0.00 178.15 173.27 1gaj n ASN 109 N -4.68 -1.01 -4.71 2.16 5.15 -1.26 -5.10 115.26 105.81 1gaj n ASN 109 Ca -0.01 -2.47 -0.59 0.00 -0.60 0.00 0.00 54.58 50.91 1gaj n ASN 109 Cb 0.16 -0.15 -0.08 0.00 -0.53 0.00 0.00 39.78 39.18 1gaj n ASN 109 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1gaj n PRO 110 N 2.84 1.03 0.00 1.20 -0.02 -1.24 -1.66 135.00 137.15 1gaj n PRO 110 Ca 0.28 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1gaj n PRO 110 Cb 0.49 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1gaj n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gaj n GLY 111 N 4.24 2.49 3.81 -1.23 0.00 -1.26 -4.39 105.19 108.85 1gaj n GLY 111 Ca 0.27 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1gaj n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gaj s GLU 112 N 0.00 3.62 0.93 1.61 2.56 -0.66 -4.71 118.70 122.04 1gaj s GLU 112 Ca 0.00 1.17 -0.11 0.00 0.00 0.00 0.00 54.97 56.03 1gaj s GLU 112 Cb 0.00 -2.08 0.15 0.00 2.00 0.00 0.00 34.13 34.20 1gaj s GLU 112 CO 0.00 -0.56 1.11 -1.54 -0.56 0.00 0.00 175.26 173.71 1gaj s SER 113 N -2.68 2.95 0.38 -1.70 1.04 -1.26 -4.72 113.70 107.71 1gaj s SER 113 Ca 0.63 1.88 0.11 0.00 0.48 0.00 0.00 55.95 59.06 1gaj s SER 113 Cb -0.14 -2.45 0.90 0.00 0.10 0.00 0.00 66.02 64.43 1gaj s SER 113 CO 0.31 -3.03 1.88 1.55 0.98 0.00 0.00 173.24 174.93 1gaj h PRO 114 N -1.82 0.58 0.01 4.02 0.13 -1.93 -0.01 132.00 132.98 1gaj h PRO 114 Ca -0.48 -0.03 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 1gaj h PRO 114 Cb 1.28 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1gaj h PRO 114 CO 0.47 0.38 -1.45 -0.07 -0.23 0.00 0.00 178.00 177.11 1gaj h LEU 115 N 0.60 0.03 -0.03 1.56 3.38 -1.95 0.98 115.31 119.87 1gaj h LEU 115 Ca 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1gaj h LEU 115 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1gaj h LEU 115 CO -0.19 1.04 -0.01 0.59 0.09 0.00 0.00 178.44 179.96 1gaj n ASN 116 N -3.19 0.06 -0.07 -0.43 3.02 -1.05 -2.50 115.26 111.11 1gaj n ASN 116 Ca -0.11 -0.42 -0.07 0.00 -0.03 0.00 0.00 54.58 53.95 1gaj n ASN 116 Cb 1.01 -0.19 -0.11 0.00 -0.61 0.00 0.00 39.78 39.89 1gaj n ASN 116 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1gaj n SER 117 N -1.16 1.62 -0.18 6.41 2.88 -0.04 -4.43 113.62 118.71 1gaj n SER 117 Ca 0.17 -0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1gaj n SER 117 Cb 0.21 0.83 0.04 0.00 -0.75 0.00 0.00 64.21 64.54 1gaj n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1gaj n LEU 118 N -2.51 0.52 0.29 2.46 7.94 0.33 -3.12 117.00 122.91 1gaj n LEU 118 Ca -0.22 -0.26 0.16 0.00 -1.11 0.00 0.00 56.01 54.57 1gaj n LEU 118 Cb 0.95 -0.07 0.87 0.00 0.53 0.00 0.00 43.42 45.70 1gaj n LEU 118 CO 0.29 0.13 1.06 0.15 -1.11 0.00 0.00 177.39 177.91 1gaj h PHE 119 N 0.55 0.00 0.00 1.96 3.04 -1.73 0.79 116.94 121.55 1gaj h PHE 119 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1gaj h PHE 119 Cb 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1gaj h PHE 119 CO 0.06 0.05 0.00 0.66 -2.02 0.00 0.00 178.31 177.07 1gaj n TYR 120 N -3.57 0.00 -5.00 0.41 4.02 -1.18 -5.01 117.16 106.83 1gaj n TYR 120 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1gaj n TYR 120 Cb 0.16 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1gaj n TYR 120 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1gaj n LYS 121 N -1.17 0.00 0.00 -0.72 5.02 0.27 -2.64 118.16 118.92 1gaj n LYS 121 Ca 0.17 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 1gaj n LYS 121 Cb 0.17 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.28 1gaj n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1gaj n LYS 122 N 10.58 0.09 -1.15 1.97 4.81 -1.26 -3.83 118.16 129.38 1gaj n LYS 122 Ca 0.00 0.06 -0.34 0.00 -0.87 0.00 0.00 58.31 57.16 1gaj n LYS 122 Cb 0.00 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 1gaj n LYS 122 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1gaj n TRP 123 N -1.07 2.13 -3.02 5.64 -0.00 -1.08 -4.75 117.44 115.28 1gaj n TRP 123 Ca 0.02 -2.40 -0.44 0.00 -0.00 0.00 0.00 57.50 54.68 1gaj n TRP 123 Cb 0.02 -2.05 -0.05 0.00 -0.00 0.00 0.00 31.31 29.23 1gaj n TRP 123 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1gaj s ILE 124 N 3.39 4.65 0.19 5.87 1.01 -1.25 -4.94 121.20 130.12 1gaj s ILE 124 Ca 0.52 -0.53 -0.33 0.00 0.00 0.00 0.00 60.65 60.32 1gaj s ILE 124 Cb 0.14 -4.49 -0.14 0.00 0.01 0.00 0.00 42.46 37.97 1gaj s ILE 124 CO -0.02 -1.12 1.43 -2.65 0.00 0.00 0.00 174.94 172.58 1gaj n PRO 125 N 6.79 1.89 -1.99 2.79 -0.02 -1.26 -4.91 135.00 138.29 1gaj n PRO 125 Ca -0.06 0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 61.85 1gaj n PRO 125 Cb 0.45 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 1gaj n PRO 125 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gaj n LYS 126 N 2.51 3.56 -2.25 -0.52 5.02 -1.26 -4.93 118.16 120.30 1gaj n LYS 126 Ca 0.14 -4.12 -0.42 0.00 -2.02 0.00 0.00 58.31 51.89 1gaj n LYS 126 Cb 0.29 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.99 1gaj n LYS 126 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gaj s GLU 127 N -3.61 4.24 0.15 1.97 2.02 -1.26 -4.85 118.70 117.36 1gaj s GLU 127 Ca 0.52 1.90 0.05 0.00 0.02 0.00 0.00 54.97 57.46 1gaj s GLU 127 Cb 0.42 -3.75 0.46 0.00 0.10 0.00 0.00 34.13 31.35 1gaj s GLU 127 CO 0.03 -0.69 0.68 -1.91 0.02 0.00 0.00 175.26 173.40 1gaj n GLU 128 N 6.26 -0.03 0.12 1.61 2.13 -1.26 -0.01 120.64 129.46 1gaj n GLU 128 Ca 0.14 0.62 -0.13 0.00 0.66 0.00 0.00 57.16 58.45 1gaj n GLU 128 Cb 0.44 -1.05 -0.08 0.00 0.27 0.00 0.00 31.44 31.01 1gaj n GLU 128 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1gaj h GLU 129 N 0.00 -0.28 -0.24 5.31 4.57 -2.00 -1.75 114.58 120.19 1gaj h GLU 129 Ca 0.32 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1gaj h GLU 129 Cb 0.76 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1gaj h GLU 129 CO -0.37 0.00 0.06 0.52 -1.18 0.00 0.00 179.01 178.04 1gaj h MET 130 N -0.55 0.38 -0.76 1.92 2.86 -0.82 -2.65 114.93 115.30 1gaj h MET 130 Ca -0.03 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1gaj h MET 130 Cb 0.41 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1gaj h MET 130 CO 0.05 0.48 0.42 0.28 1.06 0.00 0.00 176.91 179.20 1gaj h VAL 131 N 0.20 0.91 -0.83 -2.22 2.07 -1.37 0.20 116.25 115.22 1gaj h VAL 131 Ca 0.07 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1gaj h VAL 131 Cb 0.27 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1gaj h VAL 131 CO 0.00 0.13 0.55 -0.08 0.02 0.00 0.00 177.57 178.19 1gaj h GLU 132 N 0.73 1.09 -0.37 1.57 4.57 -1.09 -0.04 114.58 121.03 1gaj h GLU 132 Ca 0.36 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1gaj h GLU 132 Cb 0.31 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1gaj h GLU 132 CO -0.23 0.72 -0.25 -0.22 -1.18 0.00 0.00 179.01 177.85 1gaj h LYS 133 N 1.12 0.82 -0.58 1.92 3.64 -0.73 -0.34 116.57 122.42 1gaj h LYS 133 Ca 0.30 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1gaj h LYS 133 Cb -0.13 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1gaj h LYS 133 CO -0.07 1.03 0.33 0.00 -2.27 0.00 0.00 179.45 178.47 1gaj h ALA 134 N 0.78 0.75 -0.47 5.00 0.00 0.07 -0.59 119.26 124.80 1gaj h ALA 134 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1gaj h ALA 134 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gaj h ALA 134 CO 0.07 0.02 -0.09 0.74 0.00 0.00 0.00 179.25 179.99 1gaj h PHE 135 N 0.64 0.99 -0.71 0.00 0.04 -0.92 0.28 116.94 117.26 1gaj h PHE 135 Ca 0.25 -0.21 0.04 0.00 2.80 0.00 0.00 57.97 60.85 1gaj h PHE 135 Cb 0.09 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 1gaj h PHE 135 CO -0.08 0.97 0.47 0.87 -0.60 0.00 0.00 178.31 179.94 1gaj h LYS 136 N 0.73 0.80 -0.00 1.51 1.79 -0.32 0.43 116.57 121.51 1gaj h LYS 136 Ca 0.12 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1gaj h LYS 136 Cb 0.63 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1gaj h LYS 136 CO 0.04 0.53 -0.01 0.82 -1.08 0.00 0.00 179.45 179.75 1gaj h ILE 137 N 0.82 1.59 -0.70 1.86 2.04 -0.69 -1.06 117.51 121.37 1gaj h ILE 137 Ca 0.29 -1.75 0.17 0.00 1.00 0.00 0.00 64.86 64.56 1gaj h ILE 137 Cb 0.11 2.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 1gaj h ILE 137 CO -0.09 0.46 0.48 -0.07 0.00 0.00 0.00 178.15 178.94 1gaj h LEU 138 N -0.72 0.20 0.40 1.44 3.38 -0.15 0.28 115.31 120.14 1gaj h LEU 138 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gaj h LEU 138 Cb 0.76 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1gaj h LEU 138 CO 0.00 0.10 -0.19 -0.08 0.09 0.00 0.00 178.44 178.36 1gaj h GLU 139 N 0.21 -0.52 -1.00 1.13 4.81 0.02 0.48 114.58 119.70 1gaj h GLU 139 Ca 0.34 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.74 1gaj h GLU 139 Cb 1.05 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 1gaj h GLU 139 CO -0.07 -0.21 0.62 0.35 -0.73 0.00 0.00 179.01 178.97 1gaj h PHE 140 N -0.90 1.12 0.00 0.92 3.57 0.29 0.26 116.94 122.21 1gaj h PHE 140 Ca -0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1gaj h PHE 140 Cb 0.55 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1gaj h PHE 140 CO 0.02 0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.79 1gaj n LEU 141 N -4.65 0.00 -2.94 0.59 4.77 0.82 -4.90 117.00 110.69 1gaj n LEU 141 Ca 0.19 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.39 1gaj n LEU 141 Cb 0.39 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1gaj n LEU 141 CO 0.26 -0.04 0.13 0.29 -1.33 0.00 0.00 177.39 176.70 1gaj n LYS 142 N -1.37 -5.70 0.00 3.23 5.02 0.93 -4.95 118.16 115.31 1gaj n LYS 142 Ca 0.10 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1gaj n LYS 142 Cb 0.25 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1gaj n LYS 142 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1gaj n LEU 143 N -3.73 0.99 -0.05 -0.35 4.77 0.15 -4.82 117.00 113.96 1gaj n LEU 143 Ca -0.14 -0.99 0.25 0.00 -0.03 0.00 0.00 56.01 55.10 1gaj n LEU 143 Cb 0.60 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.41 1gaj n LEU 143 CO 0.50 0.25 1.22 0.28 -1.33 0.00 0.00 177.39 178.31 1gaj h SER 144 N 0.00 0.00 0.50 -1.43 0.02 -1.86 0.24 113.55 111.02 1gaj h SER 144 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gaj h SER 144 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gaj h SER 144 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1gaj n HIS 145 N -3.96 0.33 -0.84 3.45 1.44 -1.26 -1.41 115.22 112.97 1gaj n HIS 145 Ca 0.13 0.14 0.08 0.00 -2.01 0.00 0.00 57.72 56.06 1gaj n HIS 145 Cb 0.83 -0.72 0.18 0.00 0.12 0.00 0.00 29.99 30.40 1gaj n HIS 145 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1gaj n LEU 146 N -1.81 3.06 -0.02 2.39 4.77 0.85 -4.68 117.00 121.55 1gaj n LEU 146 Ca 0.02 -2.84 0.03 0.00 -0.03 0.00 0.00 56.01 53.19 1gaj n LEU 146 Cb 0.17 -0.42 0.38 0.00 -2.33 0.00 0.00 43.42 41.21 1gaj n LEU 146 CO 0.14 0.68 1.12 0.10 -1.33 0.00 0.00 177.39 178.10 1gaj h TYR 147 N 1.02 0.57 -0.00 -1.77 -0.00 -1.27 -2.08 116.97 113.44 1gaj h TYR 147 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1gaj h TYR 147 Cb 1.12 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 37.66 1gaj h TYR 147 CO 0.25 0.40 -0.37 -3.47 -0.00 0.00 0.00 178.16 174.97 1gaj n ASP 148 N -4.43 0.61 -4.75 0.10 -0.08 -1.26 -2.19 116.55 104.56 1gaj n ASP 148 Ca 0.03 -0.40 -0.41 0.00 -1.51 0.00 0.00 54.79 52.50 1gaj n ASP 148 Cb 0.09 0.14 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 1gaj n ASP 148 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1gaj s ARG 149 N -2.82 4.62 0.05 -0.67 6.06 -0.78 -4.75 118.95 120.66 1gaj s ARG 149 Ca 0.16 1.74 -0.31 0.00 -2.50 0.00 0.00 55.73 54.82 1gaj s ARG 149 Cb 0.18 -3.25 -0.08 0.00 0.06 0.00 0.00 34.95 31.87 1gaj s ARG 149 CO 0.62 0.15 1.59 0.15 -2.50 0.00 0.00 175.30 175.31 1gaj s LYS 150 N -0.77 4.22 0.41 5.12 1.02 -1.26 -1.21 119.74 127.26 1gaj s LYS 150 Ca 0.47 2.24 0.17 0.00 0.02 0.00 0.00 55.97 58.87 1gaj s LYS 150 Cb -0.30 -3.60 1.06 0.00 -0.52 0.00 0.00 37.83 34.47 1gaj s LYS 150 CO 0.37 -0.70 1.85 0.00 -0.92 0.00 0.00 175.35 175.95 1gaj h ALA 151 N 8.23 2.17 0.00 5.17 0.00 -1.02 -0.04 119.26 133.77 1gaj h ALA 151 Ca -0.41 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1gaj h ALA 151 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1gaj h ALA 151 CO 0.92 -0.46 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1gaj h GLY 152 N 0.43 0.00 -0.32 0.00 0.00 -1.32 -1.62 103.07 100.24 1gaj h GLY 152 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1gaj h GLY 152 CO -0.19 0.00 -0.01 1.18 0.00 0.00 0.00 176.54 177.52 1gaj n GLU 153 N -2.58 1.57 -2.49 4.80 1.02 -0.03 -4.92 120.64 118.00 1gaj n GLU 153 Ca -0.00 -0.87 -0.27 0.00 -0.02 0.00 0.00 57.16 56.01 1gaj n GLU 153 Cb 0.17 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1gaj n GLU 153 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gaj s LEU 154 N -2.03 3.36 0.87 -4.62 1.43 -0.61 -5.05 118.68 112.03 1gaj s LEU 154 Ca 0.38 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1gaj s LEU 154 Cb 0.21 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.95 1gaj s LEU 154 CO 0.35 -0.92 1.15 -0.94 0.23 0.00 0.00 176.35 176.21 1gaj s SER 155 N -4.25 3.88 0.25 2.29 1.04 -1.26 -4.79 113.70 110.85 1gaj s SER 155 Ca 0.52 0.93 -0.05 0.00 0.48 0.00 0.00 55.95 57.83 1gaj s SER 155 Cb -0.10 -1.49 0.28 0.00 0.10 0.00 0.00 66.02 64.80 1gaj s SER 155 CO 0.45 -2.32 1.85 1.23 0.98 0.00 0.00 173.24 175.43 1gaj h GLY 156 N -1.34 1.20 1.47 7.32 0.00 -1.98 0.87 103.07 110.60 1gaj h GLY 156 Ca -0.49 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 46.06 1gaj h GLY 156 CO 0.63 0.56 -0.73 -1.33 0.00 0.00 0.00 176.54 175.66 1gaj h GLY 157 N 1.14 0.58 0.87 4.60 0.00 -1.93 -1.54 103.07 106.80 1gaj h GLY 157 Ca 0.27 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1gaj h GLY 157 CO -0.03 0.72 -0.03 1.46 0.00 0.00 0.00 176.54 178.65 1gaj h GLN 158 N 0.36 -0.08 -0.91 4.80 4.20 -1.79 -1.53 115.11 120.17 1gaj h GLN 158 Ca -0.03 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1gaj h GLN 158 Cb 1.32 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.04 1gaj h GLN 158 CO 0.13 0.07 0.54 1.98 -0.67 0.00 0.00 178.83 180.88 1gaj h MET 159 N -0.21 0.86 -0.69 1.46 4.05 -0.71 0.83 114.93 120.51 1gaj h MET 159 Ca -0.01 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1gaj h MET 159 Cb 0.18 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1gaj h MET 159 CO 0.01 0.57 0.32 0.87 0.23 0.00 0.00 176.91 178.91 1gaj h LYS 160 N 0.88 0.99 -0.19 0.39 1.79 -1.00 -1.70 116.57 117.74 1gaj h LYS 160 Ca 0.44 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.65 1gaj h LYS 160 Cb 0.42 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1gaj h LYS 160 CO -0.26 0.78 -0.41 1.25 -1.08 0.00 0.00 179.45 179.73 1gaj h LEU 161 N 0.99 0.46 -0.68 2.94 5.85 0.17 -2.50 115.31 122.53 1gaj h LEU 161 Ca 0.24 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1gaj h LEU 161 Cb 0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1gaj h LEU 161 CO -0.03 0.82 0.12 0.58 -0.34 0.00 0.00 178.44 179.60 1gaj h VAL 162 N 0.36 1.26 -0.82 1.05 2.07 -0.52 -1.24 116.25 118.41 1gaj h VAL 162 Ca 0.03 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1gaj h VAL 162 Cb 0.87 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1gaj h VAL 162 CO 0.07 0.39 0.46 -0.33 0.02 0.00 0.00 177.57 178.18 1gaj h GLU 163 N 1.05 1.14 -0.85 1.57 5.08 -1.11 0.18 114.58 121.64 1gaj h GLU 163 Ca 0.21 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1gaj h GLU 163 Cb 0.43 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1gaj h GLU 163 CO 0.01 0.83 0.48 0.82 -1.00 0.00 0.00 179.01 180.15 1gaj h ILE 164 N 1.14 1.25 -0.72 3.13 2.04 -0.99 -1.85 117.51 121.50 1gaj h ILE 164 Ca 0.29 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1gaj h ILE 164 Cb 0.01 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1gaj h ILE 164 CO -0.05 0.27 0.31 1.23 0.00 0.00 0.00 178.15 179.91 1gaj h GLY 165 N 1.18 1.12 1.34 5.37 0.00 0.10 -1.23 103.07 110.95 1gaj h GLY 165 Ca 0.30 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1gaj h GLY 165 CO -0.05 0.54 0.30 -0.09 0.00 0.00 0.00 176.54 177.24 1gaj h ARG 166 N 1.03 0.86 -0.31 4.80 2.43 0.05 -2.68 114.38 120.56 1gaj h ARG 166 Ca 0.24 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 1gaj h ARG 166 Cb 0.16 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1gaj h ARG 166 CO -0.03 0.67 -0.39 0.00 -1.51 0.00 0.00 179.97 178.71 1gaj h ALA 167 N 1.46 0.47 0.00 2.80 0.00 -0.59 -2.90 119.26 120.50 1gaj h ALA 167 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1gaj h ALA 167 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gaj h ALA 167 CO -0.03 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1gaj h LEU 168 N 0.59 0.00 -1.32 0.00 3.38 -0.92 -1.03 115.31 116.00 1gaj h LEU 168 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gaj h LEU 168 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1gaj h LEU 168 CO 0.09 0.00 0.00 0.24 0.09 0.00 0.00 178.44 178.86 1gaj h MET 169 N 0.00 0.00 -0.49 1.13 2.86 -1.32 -0.60 114.93 116.50 1gaj h MET 169 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gaj h MET 169 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1gaj h MET 169 CO 0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 1gaj n THR 170 N -2.32 2.03 -4.24 2.22 -2.24 -0.39 -4.94 114.28 104.39 1gaj n THR 170 Ca -0.00 -1.39 -0.35 0.00 -2.27 0.00 0.00 64.05 60.03 1gaj n THR 170 Cb 0.10 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.26 1gaj n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gaj n ASN 171 N 0.52 -0.41 -4.75 3.42 3.02 -0.23 -4.88 115.26 111.95 1gaj n ASN 171 Ca 0.23 -1.27 -0.31 0.00 -0.03 0.00 0.00 54.58 53.20 1gaj n ASN 171 Cb 0.89 -1.56 0.10 0.00 -0.61 0.00 0.00 39.78 38.60 1gaj n ASN 171 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gaj s PRO 172 N -7.37 2.06 -0.11 3.52 0.04 -1.26 -4.91 135.00 126.96 1gaj s PRO 172 Ca 0.13 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.65 1gaj s PRO 172 Cb -0.08 -1.87 -0.28 0.00 0.04 0.00 0.00 34.50 32.32 1gaj s PRO 172 CO 0.98 -1.80 0.25 1.63 0.04 0.00 0.00 177.00 178.10 1gaj n LYS 173 N -3.53 0.75 -3.79 4.56 5.02 0.92 -4.92 118.16 117.17 1gaj n LYS 173 Ca 0.10 -0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1gaj n LYS 173 Cb 0.53 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1gaj n LYS 173 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1gaj s MET 174 N -2.93 0.02 -0.12 1.97 0.00 -0.33 -0.65 119.30 117.26 1gaj s MET 174 Ca -0.09 0.20 0.01 0.00 0.00 0.00 0.00 55.69 55.81 1gaj s MET 174 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 34.83 34.76 1gaj s MET 174 CO 0.82 -0.12 -0.17 0.42 0.00 0.00 0.00 175.02 175.97 1gaj s ILE 175 N 0.79 2.69 -0.17 10.11 1.01 0.57 -1.86 121.20 134.35 1gaj s ILE 175 Ca -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1gaj s ILE 175 Cb -0.09 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1gaj s ILE 175 CO -0.03 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.70 1gaj s VAL 176 N 0.38 3.62 -0.07 2.92 1.01 0.26 -1.63 120.40 126.89 1gaj s VAL 176 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1gaj s VAL 176 Cb -0.17 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1gaj s VAL 176 CO 0.06 0.48 -0.05 -0.04 0.00 0.00 0.00 175.10 175.55 1gaj s MET 177 N 0.64 1.09 -0.58 2.72 1.00 0.19 -1.21 119.30 123.14 1gaj s MET 177 Ca -0.03 -0.14 -0.19 0.00 0.00 0.00 0.00 55.69 55.33 1gaj s MET 177 Cb -0.15 -1.16 0.09 0.00 0.00 0.00 0.00 34.83 33.62 1gaj s MET 177 CO 0.02 -0.17 0.72 0.34 0.00 0.00 0.00 175.02 175.93 1gaj s ASP 178 N 1.36 6.19 -0.58 3.03 -1.08 -1.26 -1.29 116.67 123.04 1gaj s ASP 178 Ca -0.03 -1.31 -0.08 0.00 -0.52 0.00 0.00 52.55 50.61 1gaj s ASP 178 Cb -0.14 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1gaj s ASP 178 CO -0.03 -1.11 0.65 0.00 0.52 0.00 0.00 175.17 175.20 1gaj n GLN 179 N 6.44 -1.86 0.19 4.34 6.02 0.28 -4.91 117.38 127.87 1gaj n GLN 179 Ca -0.08 1.82 0.06 0.00 -0.01 0.00 0.00 57.00 58.79 1gaj n GLN 179 Cb 0.43 -5.72 0.33 0.00 1.02 0.00 0.00 30.24 26.30 1gaj n GLN 179 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1gaj h PRO 180 N 1.24 0.00 0.00 -1.09 0.13 -1.80 -3.36 132.00 127.12 1gaj h PRO 180 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1gaj h PRO 180 Cb 1.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 1gaj h PRO 180 CO 0.25 0.35 -0.29 0.44 -0.23 0.00 0.00 178.00 178.51 1gaj n ILE 181 N -3.45 1.64 -2.38 -3.56 -5.35 -1.26 -4.88 119.36 100.12 1gaj n ILE 181 Ca 0.00 -2.23 -0.42 0.00 -0.27 0.00 0.00 62.75 59.83 1gaj n ILE 181 Cb 0.52 -0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 1gaj n ILE 181 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gaj s ALA 182 N -2.45 3.43 -0.01 -1.28 0.00 -1.26 -2.82 121.76 117.36 1gaj s ALA 182 Ca 0.30 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1gaj s ALA 182 Cb 0.29 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1gaj s ALA 182 CO -0.02 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1gaj n GLY 183 N 3.14 0.47 3.66 0.00 0.00 -1.26 -5.02 105.19 106.19 1gaj n GLY 183 Ca 0.09 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1gaj n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gaj s VAL 184 N -1.96 4.68 0.25 1.61 1.01 -1.13 -4.78 120.40 120.08 1gaj s VAL 184 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1gaj s VAL 184 Cb 0.00 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.20 1gaj s VAL 184 CO 0.00 0.51 1.56 0.00 0.00 0.00 0.00 175.10 177.17 1gaj s ALA 185 N -0.03 3.74 0.15 5.51 0.00 -1.26 -4.67 121.76 125.19 1gaj s ALA 185 Ca 0.06 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1gaj s ALA 185 Cb -0.12 -3.63 0.30 0.00 0.00 0.00 0.00 23.12 19.67 1gaj s ALA 185 CO 0.01 -0.88 0.79 -0.35 0.00 0.00 0.00 175.76 175.33 1gaj n PRO 186 N 2.67 -0.04 -0.11 0.00 -0.04 -1.26 -0.62 135.00 135.60 1gaj n PRO 186 Ca 0.09 0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1gaj n PRO 186 Cb 0.38 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1gaj n PRO 186 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1gaj h GLY 187 N 0.00 0.54 1.54 0.55 0.00 -2.00 -1.41 103.07 102.29 1gaj h GLY 187 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1gaj h GLY 187 CO -0.50 0.26 -0.44 -2.00 0.00 0.00 0.00 176.54 173.86 1gaj h LEU 188 N 0.42 0.54 0.14 3.11 5.85 -1.23 -2.76 115.31 121.37 1gaj h LEU 188 Ca 0.12 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1gaj h LEU 188 Cb 0.14 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1gaj h LEU 188 CO -0.01 0.91 -0.09 0.00 -0.34 0.00 0.00 178.44 178.90 1gaj h ALA 189 N 1.11 -0.22 -0.16 1.25 0.00 -0.95 0.92 119.26 121.22 1gaj h ALA 189 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1gaj h ALA 189 Cb 0.94 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1gaj h ALA 189 CO 0.08 -0.63 -0.09 0.45 0.00 0.00 0.00 179.25 179.06 1gaj h HIS 190 N -0.23 0.25 -0.57 0.00 3.86 -1.29 -1.56 115.15 115.62 1gaj h HIS 190 Ca -0.01 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1gaj h HIS 190 Cb 0.20 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1gaj h HIS 190 CO -0.09 0.35 -0.03 0.22 0.86 0.00 0.00 177.93 179.24 1gaj h ASP 191 N 0.24 1.01 0.45 2.45 3.58 -1.04 0.46 116.42 123.58 1gaj h ASP 191 Ca 0.05 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1gaj h ASP 191 Cb 0.32 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1gaj h ASP 191 CO 0.02 1.09 -0.22 0.40 -2.88 0.00 0.00 179.24 177.65 1gaj h ILE 192 N 0.91 0.55 0.00 2.25 2.04 -0.07 -1.97 117.51 121.21 1gaj h ILE 192 Ca 0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gaj h ILE 192 Cb 0.58 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1gaj h ILE 192 CO 0.03 0.03 -0.04 -0.26 0.00 0.00 0.00 178.15 177.92 1gaj h PHE 193 N -0.72 0.00 -0.38 1.37 -1.00 -1.16 0.11 116.94 115.17 1gaj h PHE 193 Ca -0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 1gaj h PHE 193 Cb 0.52 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1gaj h PHE 193 CO -0.02 0.04 0.17 -0.97 -1.61 0.00 0.00 178.31 175.92 1gaj h ASN 194 N 0.00 0.50 0.14 2.17 -1.24 0.35 -1.04 115.58 116.46 1gaj h ASN 194 Ca -0.00 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 56.84 1gaj h ASN 194 Cb 0.10 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 1gaj h ASN 194 CO 0.01 0.50 -0.13 0.45 -1.29 0.00 0.00 177.43 176.97 1gaj h HIS 195 N 0.46 0.00 -0.21 0.67 3.86 -0.04 -0.87 115.15 119.02 1gaj h HIS 195 Ca 0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1gaj h HIS 195 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1gaj h HIS 195 CO -0.01 0.13 0.07 0.28 0.86 0.00 0.00 177.93 179.26 1gaj h VAL 196 N 0.00 1.18 -0.87 2.45 2.07 -0.60 0.16 116.25 120.63 1gaj h VAL 196 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1gaj h VAL 196 Cb 0.24 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1gaj h VAL 196 CO 0.02 0.18 0.51 -0.07 0.02 0.00 0.00 177.57 178.23 1gaj h LEU 197 N 0.17 1.06 -0.84 2.57 3.38 -0.81 0.88 115.31 121.72 1gaj h LEU 197 Ca 0.07 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1gaj h LEU 197 Cb 0.22 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1gaj h LEU 197 CO -0.00 0.83 0.47 -0.08 0.09 0.00 0.00 178.44 179.74 1gaj h GLU 198 N 1.21 0.74 0.04 1.13 4.81 -0.66 0.20 114.58 122.05 1gaj h GLU 198 Ca 0.31 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.27 1gaj h GLU 198 Cb -0.03 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1gaj h GLU 198 CO -0.06 0.49 -1.01 -0.07 -0.73 0.00 0.00 179.01 177.63 1gaj h LEU 199 N 0.76 0.36 -0.91 1.64 3.38 0.86 -2.86 115.31 118.54 1gaj h LEU 199 Ca 0.42 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1gaj h LEU 199 Cb 0.44 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1gaj h LEU 199 CO -0.27 1.17 0.58 0.50 0.09 0.00 0.00 178.44 180.51 1gaj h LYS 200 N 0.12 1.08 -0.90 1.13 3.64 0.18 -0.11 116.57 121.72 1gaj h LYS 200 Ca -0.08 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1gaj h LYS 200 Cb 1.68 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 33.19 1gaj h LYS 200 CO 0.16 0.72 0.58 0.00 -2.27 0.00 0.00 179.45 178.63 1gaj h ALA 201 N 1.38 1.76 -0.15 5.00 0.00 -0.41 0.30 119.26 127.14 1gaj h ALA 201 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1gaj h ALA 201 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gaj h ALA 201 CO -0.13 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1gaj n LYS 202 N -4.56 1.51 -0.11 0.00 5.02 -0.13 -4.88 118.16 115.01 1gaj n LYS 202 Ca 0.17 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 1gaj n LYS 202 Cb 0.42 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1gaj n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gaj n GLY 203 N 0.97 0.94 3.73 0.72 0.00 0.11 -5.08 105.19 106.58 1gaj n GLY 203 Ca 0.13 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1gaj n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gaj s ILE 204 N -2.00 4.99 0.02 -0.61 1.01 -0.76 -4.34 121.20 119.51 1gaj s ILE 204 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.91 1gaj s ILE 204 Cb 0.00 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 1gaj s ILE 204 CO 0.00 0.31 0.38 -0.89 0.00 0.00 0.00 174.94 174.74 1gaj s THR 205 N 0.46 5.10 -0.02 2.92 2.01 0.17 -4.17 115.64 122.11 1gaj s THR 205 Ca 0.35 0.63 0.07 0.00 0.31 0.00 0.00 61.69 63.05 1gaj s THR 205 Cb -0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1gaj s THR 205 CO 0.18 0.47 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.00 1gaj s PHE 206 N -1.20 1.97 -0.15 4.92 0.40 0.52 -0.31 117.98 124.12 1gaj s PHE 206 Ca 0.27 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1gaj s PHE 206 Cb -0.15 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.15 1gaj s PHE 206 CO 0.14 -0.04 -0.07 -1.17 0.70 0.00 0.00 175.22 174.79 1gaj s LEU 207 N -0.51 1.54 0.06 -0.37 2.96 -0.64 -0.31 118.68 121.42 1gaj s LEU 207 Ca 0.08 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1gaj s LEU 207 Cb -0.09 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1gaj s LEU 207 CO -0.01 -0.16 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.09 1gaj s ILE 208 N 1.63 1.17 -0.09 6.68 1.01 0.11 -0.64 121.20 131.07 1gaj s ILE 208 Ca 0.02 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.46 1gaj s ILE 208 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1gaj s ILE 208 CO -0.08 -0.15 -0.19 -0.63 0.00 0.00 0.00 174.94 173.89 1gaj s ILE 209 N -1.15 2.56 0.23 2.92 1.01 -0.41 -0.73 121.20 125.64 1gaj s ILE 209 Ca -0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1gaj s ILE 209 Cb -0.09 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1gaj s ILE 209 CO 0.02 0.55 0.54 -0.70 0.00 0.00 0.00 174.94 175.36 1gaj s GLU 210 N 0.06 1.53 0.00 2.79 2.56 -1.23 0.99 118.70 125.40 1gaj s GLU 210 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 54.97 53.84 1gaj s GLU 210 Cb -0.15 0.52 0.00 0.00 2.00 0.00 0.00 34.13 36.50 1gaj s GLU 210 CO 0.05 -0.66 0.00 0.72 -0.56 0.00 0.00 175.26 174.82 1gaj n HIS 211 N -0.38 0.00 -2.93 5.30 8.25 -1.26 -4.71 115.22 119.49 1gaj n HIS 211 Ca -0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.97 1gaj n HIS 211 Cb 0.61 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 1gaj n HIS 211 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1gaj s ARG 212 N -1.22 3.62 0.48 -0.41 0.52 -1.26 -4.84 118.95 115.84 1gaj s ARG 212 Ca 0.00 -1.81 0.28 0.00 -0.52 0.00 0.00 55.73 53.68 1gaj s ARG 212 Cb 0.00 -4.92 1.02 0.00 0.52 0.00 0.00 34.95 31.56 1gaj s ARG 212 CO 0.00 -1.77 1.86 -0.07 0.02 0.00 0.00 175.30 175.34 1gaj h LEU 213 N 10.36 0.00 0.00 2.53 3.38 -1.99 -3.22 115.31 126.37 1gaj h LEU 213 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gaj h LEU 213 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1gaj h LEU 213 CO 1.11 0.11 0.00 -0.90 0.09 0.00 0.00 178.44 178.86 1gaj n ASP 214 N -3.23 0.00 0.03 -0.43 5.75 -1.26 -2.61 116.55 114.80 1gaj n ASP 214 Ca 0.01 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1gaj n ASP 214 Cb 0.40 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1gaj n ASP 214 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1gaj n ILE 215 N -1.21 0.39 -0.02 2.12 5.41 -1.22 -4.89 119.36 119.93 1gaj n ILE 215 Ca 0.02 0.13 -0.09 0.00 1.00 0.00 0.00 62.75 63.81 1gaj n ILE 215 Cb 0.03 -1.25 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 1gaj n ILE 215 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1gaj h VAL 216 N 0.00 0.70 -1.42 1.39 3.04 -1.57 -3.26 116.25 115.13 1gaj h VAL 216 Ca 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 66.70 66.15 1gaj h VAL 216 Cb 0.41 0.70 -0.11 0.00 -2.01 0.00 0.00 31.29 30.28 1gaj h VAL 216 CO 0.00 0.00 0.96 0.18 -1.01 0.00 0.00 177.57 177.70 1gaj n LEU 217 N -5.25 0.13 0.00 3.16 4.77 -1.07 0.79 117.00 119.53 1gaj n LEU 217 Ca -0.02 1.14 0.13 0.00 -0.03 0.00 0.00 56.01 57.22 1gaj n LEU 217 Cb 0.17 -0.56 0.64 0.00 -2.33 0.00 0.00 43.42 41.34 1gaj n LEU 217 CO 0.23 -1.22 0.93 0.59 -1.33 0.00 0.00 177.39 176.59 1gaj n ASN 218 N -4.27 0.00 -0.04 -1.43 3.02 -1.23 -3.72 115.26 107.59 1gaj n ASN 218 Ca 0.38 -0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1gaj n ASN 218 Cb 1.55 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 40.31 1gaj n ASN 218 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1gaj n TYR 219 N -1.29 0.00 -2.99 3.10 4.01 0.24 -5.01 117.16 115.21 1gaj n TYR 219 Ca 0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.50 1gaj n TYR 219 Cb 0.21 -0.56 -0.06 0.00 -0.31 0.00 0.00 39.34 38.61 1gaj n TYR 219 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1gaj s ILE 220 N -2.65 4.47 -0.13 -0.72 -4.36 -1.23 -4.82 121.20 111.75 1gaj s ILE 220 Ca -0.07 1.40 0.16 0.00 -0.26 0.00 0.00 60.65 61.88 1gaj s ILE 220 Cb 0.07 -3.84 0.40 0.00 1.25 0.00 0.00 42.46 40.34 1gaj s ILE 220 CO 0.61 0.08 1.19 -0.90 0.24 0.00 0.00 174.94 176.16 1gaj n ASP 221 N 0.38 1.47 -3.17 4.36 5.75 -0.31 -4.86 116.55 120.18 1gaj n ASP 221 Ca 0.01 -3.19 0.05 0.00 -0.01 0.00 0.00 54.79 51.65 1gaj n ASP 221 Cb 0.51 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1gaj n ASP 221 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1gaj s HIS 222 N -2.09 -0.33 0.14 2.11 5.04 -1.19 -3.79 115.29 115.19 1gaj s HIS 222 Ca 0.35 0.38 0.07 0.00 -1.54 0.00 0.00 55.06 54.32 1gaj s HIS 222 Cb 0.35 0.13 -0.04 0.00 0.04 0.00 0.00 32.58 33.06 1gaj s HIS 222 CO -0.09 -0.18 -0.05 -1.17 -2.34 0.00 0.00 174.74 170.91 1gaj s LEU 223 N 2.85 3.17 -0.02 8.88 2.96 -0.57 -0.52 118.68 135.43 1gaj s LEU 223 Ca -0.04 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1gaj s LEU 223 Cb -0.08 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1gaj s LEU 223 CO -0.10 0.13 0.13 -0.31 -1.32 0.00 0.00 176.35 174.88 1gaj s TYR 224 N -1.51 -0.04 0.04 5.38 2.02 -0.60 -2.61 117.35 120.04 1gaj s TYR 224 Ca 0.25 0.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 1gaj s TYR 224 Cb -0.10 -0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.42 1gaj s TYR 224 CO 0.16 -0.19 -0.23 0.08 -1.57 0.00 0.00 175.55 173.81 1gaj s VAL 225 N -0.72 1.85 0.01 0.71 1.01 0.76 -1.18 120.40 122.84 1gaj s VAL 225 Ca -0.08 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1gaj s VAL 225 Cb -0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1gaj s VAL 225 CO 0.01 0.29 -0.12 -0.04 0.00 0.00 0.00 175.10 175.24 1gaj s MET 226 N -1.15 0.92 -0.12 2.72 -1.94 0.11 -1.71 119.30 118.13 1gaj s MET 226 Ca 0.09 -0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1gaj s MET 226 Cb -0.09 -0.89 0.05 0.00 2.01 0.00 0.00 34.83 35.90 1gaj s MET 226 CO 0.02 0.24 0.29 0.12 -0.01 0.00 0.00 175.02 175.68 1gaj s PHE 227 N -0.48 -0.39 -1.53 -0.03 5.36 -0.65 -4.27 117.98 115.98 1gaj s PHE 227 Ca 0.03 0.90 -0.10 0.00 -0.96 0.00 0.00 56.93 56.80 1gaj s PHE 227 Cb -0.06 0.11 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 1gaj s PHE 227 CO 0.00 -0.24 0.70 0.09 -1.46 0.00 0.00 175.22 174.31 1gaj n ASN 228 N 3.95 -2.47 0.00 6.13 3.02 -1.26 -1.57 115.26 123.07 1gaj n ASN 228 Ca -0.22 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1gaj n ASN 228 Cb 0.55 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 1gaj n ASN 228 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gaj n GLY 229 N -1.68 0.78 3.12 7.41 0.00 -0.22 -4.67 105.19 109.93 1gaj n GLY 229 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1gaj n GLY 229 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gaj s GLN 230 N -0.13 0.69 -0.26 1.61 -2.07 -0.61 0.14 119.66 119.03 1gaj s GLN 230 Ca 0.00 -1.00 -0.29 0.00 -1.82 0.00 0.00 55.36 52.25 1gaj s GLN 230 Cb 0.00 -0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 31.56 1gaj s GLN 230 CO 0.00 0.04 1.75 0.42 -1.32 0.00 0.00 175.29 176.18 1gaj s ILE 231 N -2.20 3.52 -1.64 3.63 -1.09 -1.26 -1.64 121.20 120.52 1gaj s ILE 231 Ca -0.01 0.56 0.16 0.00 -2.23 0.00 0.00 60.65 59.14 1gaj s ILE 231 Cb -0.04 -3.61 0.35 0.00 -1.58 0.00 0.00 42.46 37.58 1gaj s ILE 231 CO -0.01 -0.32 1.27 2.30 -1.23 0.00 0.00 174.94 176.94 1gaj n ILE 232 N 6.94 0.67 -3.65 2.92 -5.35 -0.69 -4.97 119.36 115.23 1gaj n ILE 232 Ca 0.21 -0.83 -0.03 0.00 -0.27 0.00 0.00 62.75 61.83 1gaj n ILE 232 Cb 0.46 0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 1gaj n ILE 232 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gaj s ALA 233 N -1.14 -2.19 0.20 -1.28 0.00 -1.22 -4.94 121.76 111.19 1gaj s ALA 233 Ca 0.30 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.99 1gaj s ALA 233 Cb 0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1gaj s ALA 233 CO 0.23 -0.13 0.04 -2.00 0.00 0.00 0.00 175.76 173.90 1gaj s GLU 234 N -0.12 1.20 -0.30 0.00 2.12 -1.26 -0.17 118.70 120.17 1gaj s GLU 234 Ca 0.07 -1.61 -0.17 0.00 0.36 0.00 0.00 54.97 53.63 1gaj s GLU 234 Cb -0.04 -0.22 0.17 0.00 0.26 0.00 0.00 34.13 34.30 1gaj s GLU 234 CO -0.14 -0.20 1.20 0.20 -0.54 0.00 0.00 175.26 175.78 1gaj s GLY 235 N -3.21 -0.28 -0.30 -1.50 0.00 -1.07 -4.87 107.32 96.09 1gaj s GLY 235 Ca 0.29 2.93 -0.12 0.00 0.00 0.00 0.00 44.72 47.83 1gaj s GLY 235 CO 0.07 4.02 0.21 -1.60 0.00 0.00 0.00 173.10 175.81 1gaj s ARG 236 N 2.99 3.80 0.00 2.90 3.52 -1.26 -1.52 118.95 129.38 1gaj s ARG 236 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1gaj s ARG 236 Cb -0.07 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1gaj s ARG 236 CO -0.11 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1gaj n GLY 237 N 5.06 1.54 0.36 8.12 0.00 -1.25 -4.49 105.19 114.54 1gaj n GLY 237 Ca -0.13 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1gaj n GLY 237 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gaj n GLU 238 N 1.55 -0.22 0.31 1.61 0.00 -1.26 -1.04 120.64 121.59 1gaj n GLU 238 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 57.16 58.45 1gaj n GLU 238 Cb 0.00 -2.16 -0.09 0.00 0.00 0.00 0.00 31.44 29.19 1gaj n GLU 238 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1gaj h GLU 239 N 0.00 -0.74 -0.88 3.44 4.81 -2.00 -1.52 114.58 117.69 1gaj h GLU 239 Ca 0.33 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.70 1gaj h GLU 239 Cb 0.57 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 1gaj h GLU 239 CO -0.94 -0.47 0.53 0.93 -0.73 0.00 0.00 179.01 178.33 1gaj h GLU 240 N -0.84 0.88 -0.41 1.92 5.08 -1.69 -2.28 114.58 117.24 1gaj h GLU 240 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1gaj h GLU 240 Cb 0.62 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1gaj h GLU 240 CO 0.13 0.58 0.26 0.82 -1.00 0.00 0.00 179.01 179.80 1gaj h ILE 241 N 0.91 1.12 -0.99 3.13 2.04 -1.01 0.22 117.51 122.93 1gaj h ILE 241 Ca 0.41 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1gaj h ILE 241 Cb 0.30 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1gaj h ILE 241 CO -0.22 0.12 0.65 0.11 0.00 0.00 0.00 178.15 178.81 1gaj h LYS 242 N 0.55 1.22 0.10 2.37 1.57 -0.74 0.46 116.57 122.10 1gaj h LYS 242 Ca 0.15 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1gaj h LYS 242 Cb -0.03 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1gaj h LYS 242 CO -0.03 0.81 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.70 1gaj h ASN 243 N 1.26 -0.12 -0.57 0.86 2.35 -0.82 -0.69 115.58 117.86 1gaj h ASN 243 Ca 0.40 -0.16 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 1gaj h ASN 243 Cb 0.01 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.33 1gaj h ASN 243 CO -0.12 0.10 0.15 0.58 -1.65 0.00 0.00 177.43 176.48 1gaj h VAL 244 N -0.33 0.71 0.00 2.81 2.07 -0.11 0.17 116.25 121.58 1gaj h VAL 244 Ca -0.01 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1gaj h VAL 244 Cb 0.27 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1gaj h VAL 244 CO 0.02 0.05 -0.44 -0.07 0.02 0.00 0.00 177.57 177.15 1gaj h LEU 245 N 0.30 0.00 -0.17 2.57 3.38 -0.73 -3.09 115.31 117.56 1gaj h LEU 245 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1gaj h LEU 245 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1gaj h LEU 245 CO -0.34 0.44 -0.34 0.28 0.09 0.00 0.00 178.44 178.57 1gaj h SER 246 N 0.00 0.60 -1.06 -0.43 0.02 0.03 -3.44 113.55 109.27 1gaj h SER 246 Ca -0.00 -0.55 -0.86 0.00 -0.84 0.00 0.00 61.79 59.53 1gaj h SER 246 Cb 0.79 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1gaj h SER 246 CO 0.06 1.04 0.69 -0.67 -1.14 0.00 0.00 176.83 176.81 1gaj n ASP 247 N -4.32 1.28 0.27 3.07 -0.08 0.49 -4.85 116.55 112.41 1gaj n ASP 247 Ca -0.06 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.52 1gaj n ASP 247 Cb 0.50 -0.91 0.80 0.00 2.34 0.00 0.00 41.12 43.86 1gaj n ASP 247 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1gaj h PRO 248 N 5.15 0.00 -0.16 -0.67 0.11 -1.89 -2.18 132.00 132.35 1gaj h PRO 248 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1gaj h PRO 248 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1gaj h PRO 248 CO 0.97 0.00 -0.25 1.57 -0.21 0.00 0.00 178.00 180.08 1gaj h LYS 249 N 0.00 0.29 0.46 1.05 2.10 -1.95 -1.83 116.57 116.69 1gaj h LYS 249 Ca 0.01 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1gaj h LYS 249 Cb 0.06 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1gaj h LYS 249 CO -0.00 0.53 -0.22 0.28 -2.00 0.00 0.00 179.45 178.04 1gaj h VAL 250 N 0.27 0.42 -0.98 0.07 2.07 -1.70 -2.89 116.25 113.51 1gaj h VAL 250 Ca 0.04 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.26 1gaj h VAL 250 Cb 0.59 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1gaj h VAL 250 CO 0.04 0.07 0.58 0.58 0.02 0.00 0.00 177.57 178.86 1gaj h VAL 251 N -0.94 0.75 -0.34 2.57 2.07 -1.52 -2.12 116.25 116.72 1gaj h VAL 251 Ca -0.06 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1gaj h VAL 251 Cb 0.58 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1gaj h VAL 251 CO 0.10 0.14 0.00 -0.08 0.02 0.00 0.00 177.57 177.76 1gaj h GLU 252 N 0.78 0.52 0.00 1.57 4.81 -1.26 -1.75 114.58 119.24 1gaj h GLU 252 Ca 0.54 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1gaj h GLU 252 Cb 0.78 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1gaj h GLU 252 CO -0.36 0.54 -0.01 -0.84 -0.73 0.00 0.00 179.01 177.61 1gaj h ILE 253 N 0.50 0.10 -0.01 2.32 3.07 -1.17 -0.94 117.51 121.38 1gaj h ILE 253 Ca 0.11 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1gaj h ILE 253 Cb 0.32 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 1gaj h ILE 253 CO 0.01 0.01 -0.32 -1.22 -1.05 0.00 0.00 178.15 175.58 1gaj n TYR 254 N -3.20 0.00 -4.28 0.16 4.01 -0.67 -4.87 117.16 108.31 1gaj n TYR 254 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1gaj n TYR 254 Cb 0.14 -0.11 -0.13 0.00 -0.31 0.00 0.00 39.34 38.93 1gaj n TYR 254 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gaj s ILE 255 N -2.54 1.19 0.00 -0.72 1.01 -0.36 -5.03 121.20 114.75 1gaj s ILE 255 Ca 0.22 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1gaj s ILE 255 Cb 0.19 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1gaj s ILE 255 CO 0.55 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1gaj n GLY 256 N 1.56 1.15 0.72 6.18 0.00 -1.26 -4.83 105.19 108.72 1gaj n GLY 256 Ca -0.19 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.49 1gaj n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50