#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngj s GLY 4 N 0.00 2.37 0.56 2.58 0.00 -1.26 -5.01 107.32 106.55 1ngj s GLY 4 Ca 0.00 -2.19 -0.12 0.00 0.00 0.00 0.00 44.72 42.41 1ngj s GLY 4 CO 0.00 -2.02 0.98 -4.14 0.00 0.00 0.00 173.10 167.91 1ngj s PRO 5 N -3.74 3.73 0.38 2.90 0.02 -1.26 -4.93 135.00 132.10 1ngj s PRO 5 Ca 0.36 0.76 -0.15 0.00 0.02 0.00 0.00 61.00 61.99 1ngj s PRO 5 Cb 0.06 -2.14 -0.08 0.00 0.02 0.00 0.00 34.50 32.35 1ngj s PRO 5 CO 0.19 -0.40 0.80 0.00 -0.33 0.00 0.00 177.00 177.26 1ngj s ALA 6 N -2.89 3.27 0.30 -1.55 0.00 -1.26 -4.61 121.76 115.01 1ngj s ALA 6 Ca 0.55 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1ngj s ALA 6 Cb -0.11 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 1ngj s ALA 6 CO 0.44 0.16 -0.08 0.14 0.00 0.00 0.00 175.76 176.42 1ngj s VAL 7 N -2.18 1.89 -0.11 0.00 -7.23 -0.96 -4.58 120.40 107.23 1ngj s VAL 7 Ca 0.55 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1ngj s VAL 7 Cb -0.10 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1ngj s VAL 7 CO 0.22 -0.28 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.78 1ngj s GLY 8 N -3.50 1.57 -0.10 2.32 0.00 -0.20 -0.90 107.32 106.51 1ngj s GLY 8 Ca 0.30 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1ngj s GLY 8 CO 0.13 -0.33 -0.11 -0.42 0.00 0.00 0.00 173.10 172.37 1ngj s ILE 9 N 0.04 1.20 -0.46 0.90 1.01 0.59 -1.26 121.20 123.23 1ngj s ILE 9 Ca -0.04 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1ngj s ILE 9 Cb -0.14 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.23 1ngj s ILE 9 CO 0.04 0.38 0.57 -0.62 0.00 0.00 0.00 174.94 175.32 1ngj s ASP 10 N 1.16 6.25 -0.87 3.58 2.15 -0.02 -1.93 116.67 126.99 1ngj s ASP 10 Ca -0.05 -0.65 -0.16 0.00 0.43 0.00 0.00 52.55 52.12 1ngj s ASP 10 Cb -0.14 -2.28 0.17 0.00 -0.30 0.00 0.00 42.92 40.37 1ngj s ASP 10 CO -0.03 -0.76 0.94 -0.22 -0.17 0.00 0.00 175.17 174.93 1ngj s LEU 11 N 2.54 5.90 0.60 -1.34 0.20 -1.26 -1.26 118.68 124.06 1ngj s LEU 11 Ca 0.17 -2.33 -0.05 0.00 0.69 0.00 0.00 54.13 52.60 1ngj s LEU 11 Cb -0.17 -2.30 0.02 0.00 -0.43 0.00 0.00 46.19 43.31 1ngj s LEU 11 CO 0.15 -0.83 0.89 -0.83 -0.29 0.00 0.00 176.35 175.45 1ngj s GLY 12 N 2.92 1.64 0.22 7.98 0.00 -0.90 -4.95 107.32 114.22 1ngj s GLY 12 Ca 0.25 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 1ngj s GLY 12 CO -0.09 -0.53 1.66 -0.84 0.00 0.00 0.00 173.10 173.30 1ngj h THR 13 N -0.20 1.26 0.00 0.90 2.02 -1.98 -3.38 112.91 111.54 1ngj h THR 13 Ca -0.45 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 65.41 1ngj h THR 13 Cb 1.27 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1ngj h THR 13 CO 0.60 0.42 -1.36 0.35 0.37 0.00 0.00 175.52 175.90 1ngj n THR 14 N -4.15 0.36 -4.22 3.16 -2.24 -1.26 -4.12 114.28 101.81 1ngj n THR 14 Ca 0.01 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1ngj n THR 14 Cb 0.39 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 1ngj n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ngj s TYR 15 N -2.13 1.00 0.27 4.78 1.51 -1.26 -0.82 117.35 120.70 1ngj s TYR 15 Ca -0.07 -0.38 0.12 0.00 -1.01 0.00 0.00 57.07 55.72 1ngj s TYR 15 Cb 0.02 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 1ngj s TYR 15 CO 0.16 0.00 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.28 1ngj s SER 16 N -1.25 3.55 -0.07 2.29 0.01 0.04 -2.13 113.70 116.14 1ngj s SER 16 Ca -0.02 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 1ngj s SER 16 Cb -0.08 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1ngj s SER 16 CO 0.01 0.04 0.30 0.00 0.41 0.00 0.00 173.24 174.00 1ngj s VAL 18 N -0.59 1.87 0.08 0.00 1.01 -1.26 -0.84 120.40 120.67 1ngj s VAL 18 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1ngj s VAL 18 Cb -0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1ngj s VAL 18 CO 0.02 0.52 -0.07 -0.83 0.00 0.00 0.00 175.10 174.74 1ngj s GLY 19 N -0.18 0.70 -0.05 4.51 0.00 -0.39 -1.50 107.32 110.42 1ngj s GLY 19 Ca -0.02 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1ngj s GLY 19 CO 0.03 -1.25 0.11 0.54 0.00 0.00 0.00 173.10 172.53 1ngj s VAL 20 N -2.82 -0.03 -0.18 1.40 0.11 0.03 -1.03 120.40 117.87 1ngj s VAL 20 Ca 0.05 0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.02 1ngj s VAL 20 Cb -0.00 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1ngj s VAL 20 CO -0.03 0.05 0.59 0.12 -3.33 0.00 0.00 175.10 172.50 1ngj s PHE 21 N 0.78 3.40 -0.19 1.54 5.36 -1.26 -0.25 117.98 127.36 1ngj s PHE 21 Ca -0.06 0.91 -0.08 0.00 -0.96 0.00 0.00 56.93 56.73 1ngj s PHE 21 Cb -0.08 -2.74 0.08 0.00 -0.34 0.00 0.00 43.02 39.94 1ngj s PHE 21 CO -0.03 -0.10 0.43 -1.14 -1.46 0.00 0.00 175.22 172.92 1ngj s GLN 22 N 1.61 0.38 -0.91 10.12 0.74 0.76 -4.92 119.66 127.44 1ngj s GLN 22 Ca 0.28 0.94 -0.02 0.00 0.05 0.00 0.00 55.36 56.61 1ngj s GLN 22 Cb -0.16 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.13 1ngj s GLN 22 CO 0.11 -0.20 0.77 0.72 -0.55 0.00 0.00 175.29 176.14 1ngj n HIS 23 N 4.84 -1.76 -0.96 1.67 8.25 -1.26 -2.79 115.22 123.21 1ngj n HIS 23 Ca -0.16 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1ngj n HIS 23 Cb 0.52 -4.18 0.00 0.00 1.12 0.00 0.00 29.99 27.46 1ngj n HIS 23 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ngj n GLY 24 N -1.25 0.10 3.17 -1.41 0.00 -1.26 -4.95 105.19 99.59 1ngj n GLY 24 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1ngj n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngj s LYS 25 N -1.56 0.83 -0.20 1.61 1.02 -1.12 -5.14 119.74 115.19 1ngj s LYS 25 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 1ngj s LYS 25 Cb 0.00 -0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1ngj s LYS 25 CO 0.00 0.19 0.11 0.08 -0.92 0.00 0.00 175.35 174.81 1ngj s VAL 26 N -1.24 5.19 -0.20 3.17 1.01 -1.26 -0.17 120.40 126.90 1ngj s VAL 26 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1ngj s VAL 26 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ngj s VAL 26 CO 0.02 0.44 -0.03 -0.70 0.00 0.00 0.00 175.10 174.83 1ngj s GLU 27 N 0.43 3.51 -0.32 2.72 2.56 0.65 -4.95 118.70 123.31 1ngj s GLU 27 Ca 0.06 -0.57 -0.17 0.00 0.00 0.00 0.00 54.97 54.29 1ngj s GLU 27 Cb -0.12 -3.01 -0.01 0.00 2.00 0.00 0.00 34.13 32.99 1ngj s GLU 27 CO -0.01 -0.04 0.47 0.42 -0.56 0.00 0.00 175.26 175.54 1ngj s ILE 28 N 1.09 5.07 -0.13 -3.70 -1.09 -1.26 -0.79 121.20 120.40 1ngj s ILE 28 Ca 0.02 0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 1ngj s ILE 28 Cb -0.15 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1ngj s ILE 28 CO 0.01 -0.09 1.03 -0.63 -1.23 0.00 0.00 174.94 174.03 1ngj s ILE 29 N 2.27 4.72 0.44 2.92 1.01 -0.56 -5.01 121.20 126.99 1ngj s ILE 29 Ca 0.17 2.01 -0.14 0.00 0.00 0.00 0.00 60.65 62.69 1ngj s ILE 29 Cb -0.16 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 1ngj s ILE 29 CO 0.12 -0.04 0.86 0.00 0.00 0.00 0.00 174.94 175.88 1ngj s ALA 30 N 2.31 3.21 0.54 9.38 0.00 -1.26 -4.63 121.76 131.31 1ngj s ALA 30 Ca 0.48 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 1ngj s ALA 30 Cb -0.18 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1ngj s ALA 30 CO 0.16 -0.04 0.01 0.27 0.00 0.00 0.00 175.76 176.15 1ngj n ASN 31 N -1.22 0.01 -0.33 0.00 0.23 0.10 -4.87 115.26 109.18 1ngj n ASN 31 Ca 0.05 -1.01 0.05 0.00 -0.53 0.00 0.00 54.58 53.13 1ngj n ASN 31 Cb 0.54 -0.01 0.20 0.00 -2.08 0.00 0.00 39.78 38.43 1ngj n ASN 31 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ngj h ASP 32 N -0.01 0.80 0.12 0.53 5.19 -1.98 0.17 116.42 121.25 1ngj h ASP 32 Ca -0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1ngj h ASP 32 Cb 0.01 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1ngj h ASP 32 CO 0.00 0.45 -0.01 0.00 -3.12 0.00 0.00 179.24 176.56 1ngj n GLN 33 N -4.68 0.93 -0.64 3.56 6.02 -1.26 -4.89 117.38 116.41 1ngj n GLN 33 Ca 0.16 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1ngj n GLN 33 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1ngj n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ngj n GLY 34 N 1.08 0.70 3.82 1.08 0.00 0.60 -5.06 105.19 107.41 1ngj n GLY 34 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1ngj n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ngj s ASN 35 N -2.14 7.03 0.00 1.61 0.01 -1.26 -4.66 114.94 115.54 1ngj s ASN 35 Ca 0.00 1.37 0.27 0.00 -0.71 0.00 0.00 52.86 53.79 1ngj s ASN 35 Cb 0.00 -2.40 0.92 0.00 0.41 0.00 0.00 41.25 40.18 1ngj s ASN 35 CO 0.00 0.06 1.71 0.54 -1.51 0.00 0.00 177.10 177.90 1ngj n ARG 36 N 0.82 0.01 -4.05 -0.60 1.74 -1.26 0.03 116.66 113.34 1ngj n ARG 36 Ca -0.03 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1ngj n ARG 36 Cb 0.51 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 1ngj n ARG 36 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ngj s THR 37 N -2.99 0.40 -0.02 0.55 -4.23 -1.26 -4.55 115.64 103.54 1ngj s THR 37 Ca 0.13 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1ngj s THR 37 Cb 0.18 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 1ngj s THR 37 CO 0.60 -0.29 -0.17 0.42 -0.54 0.00 0.00 174.62 174.64 1ngj s THR 38 N -1.08 1.37 0.32 3.99 -4.23 -0.21 -4.92 115.64 110.89 1ngj s THR 38 Ca -0.08 -0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1ngj s THR 38 Cb -0.08 -1.15 -0.13 0.00 1.34 0.00 0.00 72.50 72.48 1ngj s THR 38 CO 0.00 0.39 1.23 -2.65 -0.54 0.00 0.00 174.62 173.05 1ngj n PRO 39 N 2.81 1.94 -1.25 3.99 -0.02 -1.26 -0.78 135.00 140.42 1ngj n PRO 39 Ca -0.16 0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 1ngj n PRO 39 Cb 0.54 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.70 1ngj n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ngj n SER 40 N 0.95 6.30 -4.57 2.55 7.64 -0.00 -4.01 113.62 122.47 1ngj n SER 40 Ca 0.06 -2.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.88 1ngj n SER 40 Cb 0.35 -1.39 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 1ngj n SER 40 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ngj s TYR 41 N 0.28 2.87 -0.03 1.43 1.51 -1.26 -4.47 117.35 117.67 1ngj s TYR 41 Ca 0.64 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 1ngj s TYR 41 Cb 0.31 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1ngj s TYR 41 CO -0.08 0.33 -0.07 0.08 -1.11 0.00 0.00 175.55 174.70 1ngj s VAL 42 N -0.90 0.67 0.02 0.71 1.01 -0.46 -0.77 120.40 120.68 1ngj s VAL 42 Ca 0.15 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1ngj s VAL 42 Cb -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1ngj s VAL 42 CO 0.04 0.23 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 1ngj s ALA 43 N 0.45 1.10 -0.11 5.51 0.00 0.79 0.68 121.76 130.17 1ngj s ALA 43 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1ngj s ALA 43 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1ngj s ALA 43 CO 0.01 0.23 -0.22 -0.06 0.00 0.00 0.00 175.76 175.71 1ngj s PHE 44 N -0.65 2.60 0.20 0.00 0.08 0.04 0.15 117.98 120.41 1ngj s PHE 44 Ca 0.02 -1.02 0.01 0.00 0.12 0.00 0.00 56.93 56.07 1ngj s PHE 44 Cb -0.07 -1.74 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1ngj s PHE 44 CO 0.01 -0.41 0.04 0.25 -0.10 0.00 0.00 175.22 175.01 1ngj n THR 45 N 3.56 0.00 -0.30 0.64 -2.24 0.63 -4.78 114.28 111.79 1ngj n THR 45 Ca -0.19 -1.08 -0.04 0.00 -2.27 0.00 0.00 64.05 60.47 1ngj n THR 45 Cb 0.53 0.32 0.10 0.00 -2.10 0.00 0.00 70.33 69.18 1ngj n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ngj h ASP 46 N 0.67 1.09 0.00 3.42 3.32 -1.94 -1.23 116.42 121.74 1ngj h ASP 46 Ca -0.16 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1ngj h ASP 46 Cb 0.56 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ngj h ASP 46 CO 0.26 0.90 -1.40 0.35 -1.72 0.00 0.00 179.24 177.64 1ngj n THR 47 N -4.31 0.00 -3.83 0.35 -2.24 -1.26 -3.83 114.28 99.16 1ngj n THR 47 Ca 0.08 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1ngj n THR 47 Cb 0.13 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1ngj n THR 47 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ngj s GLU 48 N -2.88 1.93 -0.20 -0.78 -1.05 -1.25 -5.04 118.70 109.43 1ngj s GLU 48 Ca -0.02 -1.22 -0.01 0.00 -0.15 0.00 0.00 54.97 53.58 1ngj s GLU 48 Cb 0.10 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.36 1ngj s GLU 48 CO 0.64 -0.90 -0.15 0.50 0.95 0.00 0.00 175.26 176.30 1ngj s ARG 49 N -2.50 3.09 -0.08 -4.83 3.52 -1.26 -0.27 118.95 116.62 1ngj s ARG 49 Ca 0.16 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1ngj s ARG 49 Cb -0.04 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1ngj s ARG 49 CO 0.09 -0.22 0.11 -0.51 -0.81 0.00 0.00 175.30 173.96 1ngj s LEU 50 N 1.34 4.15 -0.01 -0.88 1.02 0.12 -4.95 118.68 119.48 1ngj s LEU 50 Ca 0.05 0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.56 1ngj s LEU 50 Cb -0.14 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.92 1ngj s LEU 50 CO -0.10 0.36 -0.08 -0.63 0.02 0.00 0.00 176.35 175.92 1ngj s ILE 51 N -1.08 0.66 0.00 -0.59 1.01 -1.26 -0.15 121.20 119.79 1ngj s ILE 51 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1ngj s ILE 51 Cb -0.12 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1ngj s ILE 51 CO 0.08 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1ngj n GLY 52 N 2.91 0.37 0.10 6.18 0.00 0.05 -3.97 105.19 110.83 1ngj n GLY 52 Ca -0.14 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1ngj n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ngj h ASP 53 N 3.75 -0.18 -0.87 1.61 3.32 -1.89 -1.52 116.42 120.64 1ngj h ASP 53 Ca 0.00 0.06 0.18 0.00 0.02 0.00 0.00 57.03 57.29 1ngj h ASP 53 Cb 0.00 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1ngj h ASP 53 CO 0.00 -0.06 0.57 0.00 -1.72 0.00 0.00 179.24 178.03 1ngj h ALA 54 N 1.20 2.11 0.11 3.45 0.00 -1.96 0.19 119.26 124.35 1ngj h ALA 54 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ngj h ALA 54 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ngj h ALA 54 CO -0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 178.62 1ngj h ALA 55 N 1.62 -0.14 -0.18 0.00 0.00 -1.48 -3.28 119.26 115.79 1ngj h ALA 55 Ca 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ngj h ALA 55 Cb 1.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ngj h ALA 55 CO -0.17 -0.29 -0.09 -0.22 0.00 0.00 0.00 179.25 178.47 1ngj h LYS 56 N -0.73 0.28 -0.14 0.00 3.64 -0.66 -2.79 116.57 116.17 1ngj h LYS 56 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ngj h LYS 56 Cb 0.55 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ngj h LYS 56 CO 0.02 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 1ngj n ASN 57 N -4.29 0.14 -0.19 4.20 3.02 0.60 -2.89 115.26 115.85 1ngj n ASN 57 Ca -0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1ngj n ASN 57 Cb 0.25 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1ngj n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngj n GLN 58 N -0.31 0.00 -0.22 3.52 -0.00 -1.05 -4.96 117.38 114.36 1ngj n GLN 58 Ca 0.00 -0.36 0.02 0.00 -0.00 0.00 0.00 57.00 56.67 1ngj n GLN 58 Cb 0.03 -0.26 0.27 0.00 -0.00 0.00 0.00 30.24 30.29 1ngj n GLN 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1ngj h VAL 59 N 4.15 1.13 0.00 -0.39 3.04 -1.56 -1.58 116.25 121.04 1ngj h VAL 59 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1ngj h VAL 59 Cb 1.08 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1ngj h VAL 59 CO 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 177.57 176.73 1ngj h ALA 60 N 1.55 1.00 0.00 3.17 0.00 -1.93 -1.47 119.26 121.58 1ngj h ALA 60 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.88 1ngj h ALA 60 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1ngj h ALA 60 CO -0.08 0.00 -2.02 -0.12 0.00 0.00 0.00 179.25 177.03 1ngj n MET 61 N -2.95 0.66 -3.10 0.00 0.00 -0.68 -4.62 117.12 106.43 1ngj n MET 61 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 57.70 57.65 1ngj n MET 61 Cb 0.27 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 31.79 1ngj n MET 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1ngj n ASN 62 N -2.91 2.18 0.06 6.12 5.15 -0.70 -4.97 115.26 120.19 1ngj n ASN 62 Ca -0.24 -3.26 0.05 0.00 -0.60 0.00 0.00 54.58 50.53 1ngj n ASN 62 Cb 1.10 -0.60 0.48 0.00 -0.53 0.00 0.00 39.78 40.24 1ngj n ASN 62 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ngj h PRO 63 N 3.01 0.39 0.00 1.20 0.13 -1.53 -2.67 132.00 132.53 1ngj h PRO 63 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ngj h PRO 63 Cb 0.80 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ngj h PRO 63 CO 0.62 0.26 -0.48 1.79 -0.23 0.00 0.00 178.00 179.96 1ngj h THR 64 N 0.41 0.00 -0.27 1.56 1.35 -1.88 -3.34 112.91 110.74 1ngj h THR 64 Ca 0.12 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ngj h THR 64 Cb -0.02 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1ngj h THR 64 CO -0.03 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.83 1ngj n ASN 65 N -2.31 2.81 -4.29 5.36 3.02 -1.12 -4.45 115.26 114.29 1ngj n ASN 65 Ca 0.03 -2.09 -0.37 0.00 -0.03 0.00 0.00 54.58 52.12 1ngj n ASN 65 Cb 0.46 -0.21 -0.13 0.00 -0.61 0.00 0.00 39.78 39.29 1ngj n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ngj s THR 66 N -1.17 3.65 -0.05 3.41 2.01 -1.02 -0.78 115.64 121.69 1ngj s THR 66 Ca 0.20 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1ngj s THR 66 Cb 0.12 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1ngj s THR 66 CO 0.12 0.01 0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 1ngj s VAL 67 N 1.42 5.36 0.37 3.82 1.01 0.21 -4.76 120.40 127.83 1ngj s VAL 67 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1ngj s VAL 67 Cb -0.18 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ngj s VAL 67 CO 0.01 0.51 0.62 0.72 0.00 0.00 0.00 175.10 176.96 1ngj s PHE 68 N -1.15 0.67 -1.83 5.22 -0.12 -1.26 -1.35 117.98 118.16 1ngj s PHE 68 Ca 0.21 -1.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.00 1ngj s PHE 68 Cb -0.13 0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.58 1ngj s PHE 68 CO 0.10 -1.34 0.00 -0.25 -0.05 0.00 0.00 175.22 173.69 1ngj n ASP 69 N -1.46 -5.39 0.29 1.98 9.92 -1.26 -4.86 116.55 115.78 1ngj n ASP 69 Ca -0.03 0.21 0.15 0.00 -0.53 0.00 0.00 54.79 54.60 1ngj n ASP 69 Cb 0.61 -4.62 0.90 0.00 -0.64 0.00 0.00 41.12 37.37 1ngj n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ngj h ALA 70 N 0.64 1.37 0.00 2.24 0.00 -1.87 -0.94 119.26 120.70 1ngj h ALA 70 Ca -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1ngj h ALA 70 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ngj h ALA 70 CO 0.56 0.05 -0.22 -0.22 0.00 0.00 0.00 179.25 179.42 1ngj h LYS 71 N 0.00 0.00 0.00 0.00 3.64 -1.89 -0.43 116.57 117.89 1ngj h LYS 71 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ngj h LYS 71 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1ngj h LYS 71 CO 0.00 0.22 0.00 0.00 -2.27 0.00 0.00 179.45 177.40 1ngj h ARG 72 N 0.00 0.00 0.01 1.90 3.08 -1.55 -3.34 114.38 114.47 1ngj h ARG 72 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1ngj h ARG 72 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 1ngj h ARG 72 CO 0.03 0.00 -1.91 1.28 -1.07 0.00 0.00 179.97 178.29 1ngj n LEU 73 N -3.06 1.98 -2.72 3.04 7.99 -0.67 -4.83 117.00 118.73 1ngj n LEU 73 Ca 0.02 0.35 -0.35 0.00 -0.01 0.00 0.00 56.01 56.03 1ngj n LEU 73 Cb 0.42 -0.91 -0.04 0.00 -0.11 0.00 0.00 43.42 42.78 1ngj n LEU 73 CO 0.31 0.46 0.30 0.00 -1.51 0.00 0.00 177.39 176.95 1ngj n ILE 74 N -4.26 0.15 -1.16 -0.08 3.06 -0.26 -1.45 119.36 115.36 1ngj n ILE 74 Ca -0.43 -0.04 -0.06 0.00 -2.50 0.00 0.00 62.75 59.73 1ngj n ILE 74 Cb 0.80 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.96 1ngj n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ngj n GLY 75 N 0.95 0.56 3.79 4.50 0.00 -1.26 -4.65 105.19 109.07 1ngj n GLY 75 Ca 0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1ngj n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ngj s ARG 76 N -2.40 2.51 0.23 1.61 3.52 -0.53 -4.02 118.95 119.87 1ngj s ARG 76 Ca 0.00 -1.46 0.05 0.00 -0.13 0.00 0.00 55.73 54.19 1ngj s ARG 76 Cb 0.00 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 31.07 1ngj s ARG 76 CO 0.00 0.08 0.34 1.03 -0.81 0.00 0.00 175.30 175.95 1ngj s ARG 77 N -3.92 3.43 0.15 5.12 0.52 -1.26 -4.43 118.95 118.56 1ngj s ARG 77 Ca 0.40 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 1ngj s ARG 77 Cb -0.04 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.56 1ngj s ARG 77 CO 0.24 0.44 1.60 0.35 0.02 0.00 0.00 175.30 177.96 1ngj h PHE 78 N 1.34 1.00 0.00 -0.53 3.57 -0.91 -2.25 116.94 119.15 1ngj h PHE 78 Ca -0.51 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 60.80 1ngj h PHE 78 Cb 1.22 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1ngj h PHE 78 CO 0.47 0.94 0.00 -0.40 -2.23 0.00 0.00 178.31 177.08 1ngj n ASP 79 N -4.29 0.08 -4.70 0.41 5.75 -1.26 -4.42 116.55 108.13 1ngj n ASP 79 Ca 0.01 0.53 -0.43 0.00 -0.01 0.00 0.00 54.79 54.89 1ngj n ASP 79 Cb 0.34 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.85 1ngj n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ngj n ASP 80 N -1.60 3.90 -0.00 -1.12 -0.08 -0.85 -4.86 116.55 111.93 1ngj n ASP 80 Ca 0.01 1.03 0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1ngj n ASP 80 Cb 0.08 -1.54 0.52 0.00 2.34 0.00 0.00 41.12 42.52 1ngj n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ngj h ALA 81 N 7.57 1.98 0.75 -1.67 0.00 -1.89 -1.05 119.26 124.95 1ngj h ALA 81 Ca -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ngj h ALA 81 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ngj h ALA 81 CO 0.94 -0.07 -0.41 0.28 0.00 0.00 0.00 179.25 180.00 1ngj h VAL 82 N 0.35 0.17 -0.39 0.00 2.07 -1.94 -1.36 116.25 115.16 1ngj h VAL 82 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 1ngj h VAL 82 Cb 0.35 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1ngj h VAL 82 CO -0.05 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.08 1ngj h VAL 83 N -1.08 0.66 -0.68 2.57 2.07 -1.62 0.18 116.25 118.36 1ngj h VAL 83 Ca -0.10 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1ngj h VAL 83 Cb 0.85 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1ngj h VAL 83 CO 0.14 0.01 0.30 1.56 0.02 0.00 0.00 177.57 179.60 1ngj h GLN 84 N 0.05 0.50 0.05 1.57 1.08 -1.09 -0.43 115.11 116.84 1ngj h GLN 84 Ca 0.19 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1ngj h GLN 84 Cb 0.28 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1ngj h GLN 84 CO -0.35 0.33 -0.03 0.77 -0.95 0.00 0.00 178.83 178.60 1ngj h SER 85 N 0.52 -0.06 -0.34 1.46 0.02 -0.39 -3.31 113.55 111.45 1ngj h SER 85 Ca 0.34 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1ngj h SER 85 Cb 0.40 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1ngj h SER 85 CO -0.29 0.41 -0.01 0.44 -1.14 0.00 0.00 176.83 176.24 1ngj h ASP 86 N -0.55 -0.15 -0.00 3.07 3.32 -0.63 -2.30 116.42 119.18 1ngj h ASP 86 Ca -0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ngj h ASP 86 Cb 0.48 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ngj h ASP 86 CO 0.01 -0.04 0.21 0.00 -1.72 0.00 0.00 179.24 177.70 1ngj h MET 87 N 0.09 0.00 0.00 3.56 -0.00 -1.17 -0.20 114.93 117.21 1ngj h MET 87 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 1ngj h MET 87 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1ngj h MET 87 CO -0.28 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.26 1ngj n LYS 88 N -2.97 0.13 0.00 -0.10 4.76 -0.86 -2.41 118.16 116.71 1ngj n LYS 88 Ca -0.02 0.47 0.02 0.00 -2.87 0.00 0.00 58.31 55.91 1ngj n LYS 88 Cb 0.26 -1.81 0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1ngj n LYS 88 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ngj n HIS 89 N -2.06 0.00 -3.23 2.13 8.25 -0.09 -5.01 115.22 115.21 1ngj n HIS 89 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1ngj n HIS 89 Cb 0.14 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1ngj n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ngj s TRP 90 N -0.28 3.53 -0.94 4.41 0.51 -1.01 -4.96 118.94 120.20 1ngj s TRP 90 Ca 0.04 1.00 0.24 0.00 -2.12 0.00 0.00 56.10 55.25 1ngj s TRP 90 Cb 0.03 -2.63 0.98 0.00 -0.81 0.00 0.00 33.47 31.03 1ngj s TRP 90 CO 0.04 0.14 1.75 -0.35 -0.51 0.00 0.00 176.95 178.02 1ngj n PRO 91 N 3.72 0.04 -4.00 4.98 -0.04 -1.26 -4.80 135.00 133.63 1ngj n PRO 91 Ca -0.05 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1ngj n PRO 91 Cb 0.51 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1ngj n PRO 91 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ngj s PHE 92 N -3.03 3.37 0.17 0.54 -0.12 -1.26 -4.19 117.98 113.47 1ngj s PHE 92 Ca 0.11 -0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.65 1ngj s PHE 92 Cb 0.15 -1.53 -0.07 0.00 -0.63 0.00 0.00 43.02 40.93 1ngj s PHE 92 CO 0.44 0.46 0.94 -1.64 -0.05 0.00 0.00 175.22 175.37 1ngj s MET 93 N -3.92 4.77 -0.14 1.99 -1.94 -1.23 -4.96 119.30 113.86 1ngj s MET 93 Ca 0.34 1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 55.76 1ngj s MET 93 Cb -0.09 -3.33 0.04 0.00 2.01 0.00 0.00 34.83 33.47 1ngj s MET 93 CO 0.28 0.37 -0.00 0.54 -0.01 0.00 0.00 175.02 176.20 1ngj s VAL 94 N -0.60 0.66 0.28 -6.03 0.11 -1.26 0.21 120.40 113.77 1ngj s VAL 94 Ca 0.44 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 59.22 1ngj s VAL 94 Cb -0.25 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1ngj s VAL 94 CO 0.31 0.06 0.12 0.68 -3.33 0.00 0.00 175.10 172.93 1ngj s VAL 95 N 1.83 3.77 -0.11 2.04 -7.23 0.18 -4.88 120.40 115.99 1ngj s VAL 95 Ca 0.02 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 1ngj s VAL 95 Cb -0.15 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 1ngj s VAL 95 CO -0.07 -0.32 0.38 0.21 -0.31 0.00 0.00 175.10 174.99 1ngj s ASN 96 N -3.79 6.61 -0.42 4.85 3.84 -1.26 -0.26 114.94 124.51 1ngj s ASN 96 Ca 0.34 0.72 0.02 0.00 0.21 0.00 0.00 52.86 54.15 1ngj s ASN 96 Cb -0.06 -2.23 0.14 0.00 -0.55 0.00 0.00 41.25 38.55 1ngj s ASN 96 CO 0.23 0.13 0.24 -0.62 -2.79 0.00 0.00 177.10 174.29 1ngj s ASP 97 N 0.11 3.33 -1.58 -4.21 -1.08 0.98 -4.81 116.67 109.41 1ngj s ASP 97 Ca 0.22 -2.55 -0.04 0.00 -0.52 0.00 0.00 52.55 49.65 1ngj s ASP 97 Cb -0.15 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 1ngj s ASP 97 CO 0.08 -0.27 0.57 0.00 0.52 0.00 0.00 175.17 176.08 1ngj n ALA 98 N 3.61 -0.95 0.00 3.66 0.00 -1.26 -1.89 120.51 123.68 1ngj n ALA 98 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ngj n ALA 98 Cb 0.36 -3.80 0.00 0.00 0.00 0.00 0.00 19.45 16.01 1ngj n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngj n GLY 99 N -1.50 2.83 3.78 0.00 0.00 -1.26 -5.06 105.19 103.98 1ngj n GLY 99 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1ngj n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ngj s ARG 100 N -0.07 4.41 0.40 1.61 0.52 -0.79 -0.24 118.95 124.79 1ngj s ARG 100 Ca 0.00 0.96 -0.23 0.00 -0.52 0.00 0.00 55.73 55.94 1ngj s ARG 100 Cb 0.00 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 1ngj s ARG 100 CO 0.00 0.52 0.97 -1.25 0.02 0.00 0.00 175.30 175.56 1ngj s PRO 101 N -0.83 4.29 -0.01 3.54 0.04 -1.26 -0.01 135.00 140.75 1ngj s PRO 101 Ca 0.33 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 1ngj s PRO 101 Cb -0.21 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1ngj s PRO 101 CO 0.22 0.01 0.05 0.15 0.04 0.00 0.00 177.00 177.47 1ngj s LYS 102 N -2.72 0.11 -0.11 4.56 1.02 0.65 -4.35 119.74 118.89 1ngj s LYS 102 Ca 0.58 -0.02 -0.19 0.00 0.02 0.00 0.00 55.97 56.35 1ngj s LYS 102 Cb -0.15 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 1ngj s LYS 102 CO 0.19 -0.02 0.53 0.08 -0.92 0.00 0.00 175.35 175.22 1ngj s VAL 103 N -0.20 5.15 -0.23 3.17 1.01 0.13 0.49 120.40 129.93 1ngj s VAL 103 Ca -0.02 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.96 1ngj s VAL 103 Cb -0.02 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1ngj s VAL 103 CO 0.00 0.30 0.01 -1.58 0.00 0.00 0.00 175.10 173.83 1ngj s GLN 104 N 0.73 3.55 0.30 2.72 0.74 0.13 -0.45 119.66 127.39 1ngj s GLN 104 Ca 0.28 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 55.19 1ngj s GLN 104 Cb -0.16 -3.15 -0.06 0.00 1.10 0.00 0.00 33.01 30.74 1ngj s GLN 104 CO 0.12 -0.14 0.06 0.14 -0.55 0.00 0.00 175.29 174.92 1ngj s VAL 105 N 1.40 1.07 -0.29 1.34 -7.23 0.73 -3.52 120.40 113.91 1ngj s VAL 105 Ca 0.05 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1ngj s VAL 105 Cb -0.15 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.11 1ngj s VAL 105 CO 0.01 -0.04 0.01 -0.70 -0.31 0.00 0.00 175.10 174.07 1ngj s GLU 106 N -3.91 2.74 -0.15 4.82 2.12 -1.26 -0.36 118.70 122.69 1ngj s GLU 106 Ca 0.36 -1.07 0.02 0.00 0.36 0.00 0.00 54.97 54.64 1ngj s GLU 106 Cb 0.08 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.28 1ngj s GLU 106 CO 0.14 -0.52 -0.21 -0.47 -0.54 0.00 0.00 175.26 173.67 1ngj s TYR 107 N 1.35 2.70 -1.42 5.30 5.04 0.22 -4.45 117.35 126.09 1ngj s TYR 107 Ca -0.01 -1.46 -0.06 0.00 -2.44 0.00 0.00 57.07 53.10 1ngj s TYR 107 Cb -0.18 -1.85 0.04 0.00 0.35 0.00 0.00 41.96 40.32 1ngj s TYR 107 CO -0.01 -0.69 0.76 1.63 -1.34 0.00 0.00 175.55 175.90 1ngj n LYS 108 N 4.28 -4.76 0.00 4.97 5.02 -0.47 -1.67 118.16 125.54 1ngj n LYS 108 Ca -0.20 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1ngj n LYS 108 Cb 0.51 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 1ngj n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ngj n GLY 109 N -1.67 2.70 3.85 0.72 0.00 -1.26 -4.98 105.19 104.55 1ngj n GLY 109 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1ngj n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ngj s GLU 110 N 0.00 3.86 -0.19 1.61 0.41 -0.67 -5.06 118.70 118.66 1ngj s GLU 110 Ca 0.00 0.31 -0.25 0.00 -0.41 0.00 0.00 54.97 54.63 1ngj s GLU 110 Cb 0.00 -3.01 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 1ngj s GLU 110 CO 0.00 0.55 0.82 0.99 -0.49 0.00 0.00 175.26 177.13 1ngj s THR 111 N -1.37 4.88 0.07 3.63 2.01 -1.26 -0.61 115.64 122.99 1ngj s THR 111 Ca 0.33 1.59 0.05 0.00 0.31 0.00 0.00 61.69 63.97 1ngj s THR 111 Cb -0.15 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1ngj s THR 111 CO 0.18 0.01 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.44 1ngj s LYS 112 N 2.31 0.82 0.15 4.92 1.02 0.51 -4.96 119.74 124.51 1ngj s LYS 112 Ca 0.37 -0.97 0.09 0.00 0.02 0.00 0.00 55.97 55.48 1ngj s LYS 112 Cb -0.16 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1ngj s LYS 112 CO 0.11 0.17 -0.20 -1.54 -0.92 0.00 0.00 175.35 172.97 1ngj s SER 113 N -1.81 2.79 0.01 2.83 1.04 -1.26 -0.19 113.70 117.12 1ngj s SER 113 Ca -0.01 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1ngj s SER 113 Cb -0.09 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1ngj s SER 113 CO 0.02 0.02 -0.03 -0.36 0.98 0.00 0.00 173.24 173.87 1ngj s PHE 114 N -1.75 0.28 0.37 5.02 0.08 0.41 -4.93 117.98 117.46 1ngj s PHE 114 Ca 0.14 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 1ngj s PHE 114 Cb -0.07 -0.18 -0.10 0.00 -0.57 0.00 0.00 43.02 42.09 1ngj s PHE 114 CO 0.07 -0.09 0.97 0.71 -0.10 0.00 0.00 175.22 176.77 1ngj s TYR 115 N -0.84 3.48 0.43 0.36 2.02 -1.26 -0.70 117.35 120.84 1ngj s TYR 115 Ca -0.08 1.70 0.23 0.00 -0.37 0.00 0.00 57.07 58.55 1ngj s TYR 115 Cb -0.06 -2.95 1.22 0.00 -0.40 0.00 0.00 41.96 39.77 1ngj s TYR 115 CO -0.00 -0.07 1.75 -1.00 -1.57 0.00 0.00 175.55 174.65 1ngj h PRO 116 N 2.65 0.28 0.00 -1.71 0.13 -1.93 0.27 132.00 131.69 1ngj h PRO 116 Ca -0.48 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1ngj h PRO 116 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ngj h PRO 116 CO 0.63 0.18 -0.17 1.05 -0.23 0.00 0.00 178.00 179.47 1ngj h GLU 117 N 0.28 0.00 0.03 0.86 9.09 -1.91 -1.99 114.58 120.95 1ngj h GLU 117 Ca 0.63 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.78 1ngj h GLU 117 Cb 1.80 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.92 1ngj h GLU 117 CO -0.28 0.17 -1.06 0.93 0.05 0.00 0.00 179.01 178.82 1ngj h GLU 118 N 0.00 0.57 -0.08 1.06 5.08 -0.82 -1.99 114.58 118.40 1ngj h GLU 118 Ca -0.00 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 1ngj h GLU 118 Cb 0.53 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ngj h GLU 118 CO 0.02 1.26 0.02 0.28 -1.00 0.00 0.00 179.01 179.60 1ngj h VAL 119 N 0.30 1.17 0.00 3.13 2.07 -1.27 -2.58 116.25 119.07 1ngj h VAL 119 Ca -0.13 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1ngj h VAL 119 Cb 1.72 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1ngj h VAL 119 CO 0.20 0.15 -0.12 0.28 0.02 0.00 0.00 177.57 178.09 1ngj h SER 120 N -0.06 0.00 0.43 0.57 0.02 -1.42 -0.70 113.55 112.39 1ngj h SER 120 Ca 0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1ngj h SER 120 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1ngj h SER 120 CO -0.00 0.12 -0.40 0.77 -1.14 0.00 0.00 176.83 176.18 1ngj h SER 121 N 0.00 0.00 -0.25 3.07 4.64 -1.04 0.08 113.55 120.05 1ngj h SER 121 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ngj h SER 121 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1ngj h SER 121 CO 0.02 0.40 0.04 0.24 -0.87 0.00 0.00 176.83 176.65 1ngj h MET 122 N 0.00 0.42 -0.63 4.77 2.86 -0.75 0.15 114.93 121.75 1ngj h MET 122 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1ngj h MET 122 Cb 0.72 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1ngj h MET 122 CO 0.05 0.55 0.22 0.28 1.06 0.00 0.00 176.91 179.07 1ngj h VAL 123 N 0.23 1.24 -0.92 -2.22 2.07 -1.21 -2.06 116.25 113.38 1ngj h VAL 123 Ca 0.08 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ngj h VAL 123 Cb 0.34 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1ngj h VAL 123 CO 0.01 0.31 0.60 -0.07 0.02 0.00 0.00 177.57 178.44 1ngj h LEU 124 N 0.90 1.07 -0.95 2.57 4.07 -0.75 -1.04 115.31 121.18 1ngj h LEU 124 Ca 0.21 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1ngj h LEU 124 Cb 0.26 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1ngj h LEU 124 CO -0.01 0.79 0.32 0.74 -1.08 0.00 0.00 178.44 179.20 1ngj h THR 125 N 1.26 1.24 -0.55 0.22 2.02 -0.31 -0.52 112.91 116.27 1ngj h THR 125 Ca 0.34 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1ngj h THR 125 Cb -0.12 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1ngj h THR 125 CO -0.07 0.30 0.24 0.50 0.37 0.00 0.00 175.52 176.86 1ngj h LYS 126 N 1.06 0.81 -0.52 6.66 1.63 -0.62 -0.63 116.57 124.97 1ngj h LYS 126 Ca 0.25 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1ngj h LYS 126 Cb 0.16 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1ngj h LYS 126 CO -0.03 0.69 0.13 0.52 -3.45 0.00 0.00 179.45 177.31 1ngj h MET 127 N 0.75 0.84 -0.30 1.90 2.86 -0.70 -1.62 114.93 118.66 1ngj h MET 127 Ca 0.19 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1ngj h MET 127 Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1ngj h MET 127 CO -0.02 0.80 0.16 -0.22 1.06 0.00 0.00 176.91 178.69 1ngj h LYS 128 N 0.73 0.32 0.00 1.72 3.64 -0.78 -0.59 116.57 121.61 1ngj h LYS 128 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1ngj h LYS 128 Cb 0.33 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ngj h LYS 128 CO 0.00 0.21 -0.31 1.05 -2.27 0.00 0.00 179.45 178.13 1ngj h GLU 129 N 0.33 0.00 -0.18 1.90 4.11 -1.00 0.12 114.58 119.86 1ngj h GLU 129 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 1ngj h GLU 129 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ngj h GLU 129 CO -0.07 0.31 -0.05 0.82 0.07 0.00 0.00 179.01 180.09 1ngj h ILE 130 N 0.00 1.29 -0.07 -1.06 2.04 -0.55 -0.35 117.51 118.81 1ngj h ILE 130 Ca -0.00 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1ngj h ILE 130 Cb 0.70 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1ngj h ILE 130 CO 0.04 0.31 0.04 0.00 0.00 0.00 0.00 178.15 178.53 1ngj h ALA 131 N 0.73 0.10 -0.99 1.87 0.00 -0.71 -2.47 119.26 117.78 1ngj h ALA 131 Ca 0.05 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ngj h ALA 131 Cb 0.49 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1ngj h ALA 131 CO 0.02 -0.34 0.64 0.93 0.00 0.00 0.00 179.25 180.50 1ngj h GLU 132 N -0.00 1.14 -0.64 0.00 5.08 -0.92 0.39 114.58 119.62 1ngj h GLU 132 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1ngj h GLU 132 Cb 0.12 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1ngj h GLU 132 CO -0.00 0.75 0.25 0.00 -1.00 0.00 0.00 179.01 179.01 1ngj h ALA 133 N 1.46 0.83 0.31 3.43 0.00 -0.87 0.31 119.26 124.73 1ngj h ALA 133 Ca 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ngj h ALA 133 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ngj h ALA 133 CO -0.16 0.46 -0.15 -0.92 0.00 0.00 0.00 179.25 178.47 1ngj h TYR 134 N 0.90 -0.39 0.00 0.00 5.03 -0.86 -3.29 116.97 118.36 1ngj h TYR 134 Ca 0.21 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 1ngj h TYR 134 Cb 0.22 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 1ngj h TYR 134 CO 0.01 -0.08 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.64 1ngj h LEU 135 N -0.99 0.00 1.28 2.82 3.38 -0.26 -3.46 115.31 118.09 1ngj h LEU 135 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1ngj h LEU 135 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1ngj h LEU 135 CO 0.07 0.06 -0.27 0.61 0.09 0.00 0.00 178.44 179.00 1ngj n GLY 136 N -0.88 0.40 3.37 0.83 0.00 0.11 -4.98 105.19 104.04 1ngj n GLY 136 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1ngj n GLY 136 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ngj s LYS 137 N -4.01 1.14 0.23 1.61 2.47 -1.17 -5.06 119.74 114.95 1ngj s LYS 137 Ca 0.00 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 53.61 1ngj s LYS 137 Cb 0.00 0.51 -0.09 0.00 -1.46 0.00 0.00 37.83 36.80 1ngj s LYS 137 CO 0.00 -0.46 1.20 0.95 0.16 0.00 0.00 175.35 177.20 1ngj s THR 138 N -3.44 3.42 -0.24 3.43 -4.23 -1.26 -4.34 115.64 108.98 1ngj s THR 138 Ca 0.00 1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.68 1ngj s THR 138 Cb 0.00 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1ngj s THR 138 CO -0.10 0.24 0.15 -0.69 -0.54 0.00 0.00 174.62 173.68 1ngj s VAL 139 N -0.44 5.22 -0.00 2.29 1.01 -1.26 -4.30 120.40 122.92 1ngj s VAL 139 Ca 0.51 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1ngj s VAL 139 Cb -0.34 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1ngj s VAL 139 CO 0.40 0.34 -0.07 0.41 0.00 0.00 0.00 175.10 176.18 1ngj n THR 140 N 4.37 0.85 -2.96 3.92 -1.04 -1.26 -4.90 114.28 113.26 1ngj n THR 140 Ca -0.15 0.16 -0.36 0.00 -2.04 0.00 0.00 64.05 61.66 1ngj n THR 140 Cb 0.52 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 67.30 1ngj n THR 140 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ngj s ASN 141 N -5.77 7.11 0.03 8.00 -0.87 -1.26 0.38 114.94 122.56 1ngj s ASN 141 Ca -0.07 1.58 -0.25 0.00 -1.57 0.00 0.00 52.86 52.55 1ngj s ASN 141 Cb 0.02 -2.48 0.06 0.00 -0.02 0.00 0.00 41.25 38.82 1ngj s ASN 141 CO 0.09 -0.07 0.57 0.00 -2.57 0.00 0.00 177.10 175.12 1ngj s ALA 142 N -1.68 -1.47 -0.17 0.60 0.00 -0.36 -2.28 121.76 116.40 1ngj s ALA 142 Ca 0.49 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1ngj s ALA 142 Cb -0.16 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1ngj s ALA 142 CO 0.21 -0.49 -0.12 0.08 0.00 0.00 0.00 175.76 175.43 1ngj s VAL 143 N -2.19 2.89 -0.02 0.00 1.01 -0.08 -0.41 120.40 121.60 1ngj s VAL 143 Ca -0.07 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1ngj s VAL 143 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ngj s VAL 143 CO 0.01 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1ngj s VAL 144 N 0.89 3.31 0.25 2.92 1.01 -1.10 -0.30 120.40 127.38 1ngj s VAL 144 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1ngj s VAL 144 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ngj s VAL 144 CO -0.00 0.47 0.40 0.42 0.00 0.00 0.00 175.10 176.39 1ngj s THR 145 N -0.88 5.22 -0.01 3.92 -4.23 -0.81 -2.46 115.64 116.39 1ngj s THR 145 Ca 0.14 -0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 1ngj s THR 145 Cb -0.11 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 69.93 1ngj s THR 145 CO 0.04 -0.34 0.39 0.54 -0.54 0.00 0.00 174.62 174.70 1ngj s VAL 146 N -2.03 0.05 0.69 2.29 0.11 -0.53 -4.43 120.40 116.55 1ngj s VAL 146 Ca 0.36 -0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 1ngj s VAL 146 Cb -0.10 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1ngj s VAL 146 CO 0.31 -0.22 1.12 -2.65 -3.33 0.00 0.00 175.10 170.33 1ngj n PRO 147 N 1.12 0.74 0.09 1.54 -0.02 -1.26 -0.47 135.00 136.73 1ngj n PRO 147 Ca -0.21 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 1ngj n PRO 147 Cb 0.57 -2.36 0.45 0.00 -0.02 0.00 0.00 33.50 32.13 1ngj n PRO 147 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ngj h ALA 148 N 0.04 1.68 -0.00 3.55 0.00 -1.95 -2.59 119.26 120.00 1ngj h ALA 148 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ngj h ALA 148 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ngj h ALA 148 CO 0.49 0.25 -0.03 2.48 0.00 0.00 0.00 179.25 182.45 1ngj n TYR 149 N -4.42 0.00 -1.79 0.00 0.18 -1.26 -4.88 117.16 104.99 1ngj n TYR 149 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 1ngj n TYR 149 Cb 0.14 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 38.83 1ngj n TYR 149 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1ngj s PHE 150 N -2.52 2.88 0.47 -3.48 0.40 -0.98 -5.00 117.98 109.76 1ngj s PHE 150 Ca 0.30 0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 57.14 1ngj s PHE 150 Cb 0.20 -4.07 0.10 0.00 0.51 0.00 0.00 43.02 39.77 1ngj s PHE 150 CO 0.46 -3.87 0.64 0.27 0.70 0.00 0.00 175.22 173.42 1ngj n ASN 151 N 3.31 0.32 -0.25 1.36 0.23 -1.26 -4.83 115.26 114.14 1ngj n ASN 151 Ca 0.13 -1.40 -0.00 0.00 -0.53 0.00 0.00 54.58 52.77 1ngj n ASN 151 Cb 0.37 -0.47 0.21 0.00 -2.08 0.00 0.00 39.78 37.81 1ngj n ASN 151 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ngj h ASP 152 N -0.69 0.93 0.06 0.53 3.32 -1.99 -1.57 116.42 117.01 1ngj h ASP 152 Ca -0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1ngj h ASP 152 Cb 0.64 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ngj h ASP 152 CO 0.17 0.68 -0.03 0.28 -1.72 0.00 0.00 179.24 178.63 1ngj h SER 153 N 1.08 -0.07 -0.93 6.45 0.02 -1.95 0.06 113.55 118.23 1ngj h SER 153 Ca 0.29 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ngj h SER 153 Cb -0.10 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1ngj h SER 153 CO -0.06 0.17 0.58 1.56 -1.14 0.00 0.00 176.83 177.94 1ngj h GLN 154 N -0.31 1.24 -0.50 3.45 4.20 -1.66 0.67 115.11 122.20 1ngj h GLN 154 Ca -0.01 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1ngj h GLN 154 Cb 0.27 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1ngj h GLN 154 CO 0.01 0.86 -0.13 0.00 -0.67 0.00 0.00 178.83 178.90 1ngj h ARG 155 N 1.27 0.98 0.23 1.46 3.08 -1.22 -2.00 114.38 118.17 1ngj h ARG 155 Ca 0.33 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ngj h ARG 155 Cb -0.08 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1ngj h ARG 155 CO -0.07 1.05 -0.13 1.96 -1.07 0.00 0.00 179.97 181.72 1ngj h GLN 156 N 0.84 -0.32 -0.35 0.04 1.08 -0.35 -0.76 115.11 115.28 1ngj h GLN 156 Ca 0.13 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1ngj h GLN 156 Cb 0.69 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 1ngj h GLN 156 CO 0.05 -0.22 0.24 0.00 -0.95 0.00 0.00 178.83 177.95 1ngj h ALA 157 N 0.43 1.87 -0.22 3.87 0.00 -0.83 0.21 119.26 124.59 1ngj h ALA 157 Ca -0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1ngj h ALA 157 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ngj h ALA 157 CO 0.03 0.08 -0.65 1.15 0.00 0.00 0.00 179.25 179.86 1ngj h THR 158 N 0.37 1.28 -0.58 0.00 2.02 -0.98 -0.61 112.91 114.40 1ngj h THR 158 Ca 0.14 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 1ngj h THR 158 Cb 0.12 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1ngj h THR 158 CO -0.03 0.59 0.19 0.50 0.37 0.00 0.00 175.52 177.14 1ngj h LYS 159 N 0.60 0.90 -0.43 6.66 3.64 0.42 -2.50 116.57 125.85 1ngj h LYS 159 Ca -0.02 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ngj h LYS 159 Cb 1.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1ngj h LYS 159 CO 0.14 0.80 0.27 -0.44 -2.27 0.00 0.00 179.45 177.95 1ngj h ASP 160 N 0.82 0.52 -0.75 4.20 3.32 -0.52 -0.74 116.42 123.26 1ngj h ASP 160 Ca 0.19 -0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.33 1ngj h ASP 160 Cb 0.27 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1ngj h ASP 160 CO -0.01 0.41 0.50 0.00 -1.72 0.00 0.00 179.24 178.42 1ngj h ALA 161 N 1.13 2.08 -0.10 3.45 0.00 -0.84 -0.70 119.26 124.27 1ngj h ALA 161 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ngj h ALA 161 Cb -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngj h ALA 161 CO -0.03 -0.27 -0.10 0.78 0.00 0.00 0.00 179.25 179.63 1ngj h GLY 162 N 0.44 0.27 1.00 0.00 0.00 -0.74 -2.71 103.07 101.33 1ngj h GLY 162 Ca 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ngj h GLY 162 CO -0.12 0.25 0.25 -0.91 0.00 0.00 0.00 176.54 176.01 1ngj h THR 163 N -0.16 1.11 0.00 4.70 1.35 -0.22 -0.41 112.91 119.27 1ngj h THR 163 Ca 0.02 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1ngj h THR 163 Cb 0.61 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1ngj h THR 163 CO 0.02 0.10 0.00 2.30 -0.25 0.00 0.00 175.52 177.70 1ngj n ILE 164 N -4.81 0.85 1.33 6.82 -5.35 -0.40 -1.11 119.36 116.69 1ngj n ILE 164 Ca 0.00 0.25 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 1ngj n ILE 164 Cb 0.03 -1.17 0.43 0.00 -1.74 0.00 0.00 39.64 37.19 1ngj n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ngj n ALA 165 N -1.75 2.90 -0.81 -1.28 0.00 -0.60 -4.93 120.51 114.04 1ngj n ALA 165 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1ngj n ALA 165 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ngj n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngj n GLY 166 N 1.28 0.55 3.56 0.00 0.00 -0.27 -4.75 105.19 105.57 1ngj n GLY 166 Ca 0.15 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1ngj n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngj s LEU 167 N 0.00 3.45 -0.63 0.99 1.02 -0.27 -4.79 118.68 118.45 1ngj s LEU 167 Ca 0.00 -0.03 -0.21 0.00 0.02 0.00 0.00 54.13 53.90 1ngj s LEU 167 Cb 0.00 -1.84 0.08 0.00 0.02 0.00 0.00 46.19 44.45 1ngj s LEU 167 CO 0.00 0.20 0.87 0.21 0.02 0.00 0.00 176.35 177.66 1ngj s ASN 168 N 0.18 6.19 -0.60 2.29 2.47 0.16 -3.54 114.94 122.09 1ngj s ASN 168 Ca 0.00 -1.08 -0.27 0.00 0.42 0.00 0.00 52.86 51.93 1ngj s ASN 168 Cb -0.13 -2.38 -0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1ngj s ASN 168 CO 0.02 -1.32 1.63 -0.69 -3.72 0.00 0.00 177.10 173.02 1ngj s VAL 169 N 3.61 3.55 0.22 -5.21 1.01 -1.26 -1.22 120.40 121.09 1ngj s VAL 169 Ca 0.19 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1ngj s VAL 169 Cb -0.19 -4.24 0.19 0.00 0.00 0.00 0.00 36.38 32.14 1ngj s VAL 169 CO 0.10 -1.12 1.89 -0.07 0.00 0.00 0.00 175.10 175.90 1ngj h LEU 170 N 14.66 0.96 -7.00 3.92 4.07 -1.11 -3.46 115.31 127.35 1ngj h LEU 170 Ca -0.27 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.71 1ngj h LEU 170 Cb 1.12 -0.24 -0.22 0.00 1.08 0.00 0.00 40.66 42.40 1ngj h LEU 170 CO 1.20 0.71 0.48 -0.60 -1.08 0.00 0.00 178.44 179.15 1ngj s ARG 171 N -6.10 0.68 -0.32 1.13 6.06 -1.25 -5.06 118.95 114.09 1ngj s ARG 171 Ca -0.13 0.16 -0.07 0.00 -2.50 0.00 0.00 55.73 53.20 1ngj s ARG 171 Cb 0.16 0.32 0.02 0.00 0.06 0.00 0.00 34.95 35.51 1ngj s ARG 171 CO 0.79 -0.21 0.09 0.42 -2.50 0.00 0.00 175.30 173.90 1ngj s ILE 172 N -1.13 3.89 0.20 4.11 -1.09 -1.26 -2.71 121.20 123.21 1ngj s ILE 172 Ca -0.03 -0.90 0.09 0.00 -2.23 0.00 0.00 60.65 57.58 1ngj s ILE 172 Cb -0.00 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1ngj s ILE 172 CO 0.03 -0.05 -0.08 0.27 -1.23 0.00 0.00 174.94 173.88 1ngj s ILE 173 N 1.46 3.21 0.41 2.92 -4.36 -1.03 -4.97 121.20 118.83 1ngj s ILE 173 Ca 0.01 -1.75 -0.25 0.00 -0.26 0.00 0.00 60.65 58.40 1ngj s ILE 173 Cb -0.18 -2.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.83 1ngj s ILE 173 CO 0.03 -0.18 1.17 0.20 0.24 0.00 0.00 174.94 176.40 1ngj s ASN 174 N -3.04 6.44 0.16 4.36 0.01 -1.26 -1.46 114.94 120.15 1ngj s ASN 174 Ca 0.26 2.35 -0.15 0.00 -0.71 0.00 0.00 52.86 54.61 1ngj s ASN 174 Cb -0.08 -2.61 0.06 0.00 0.41 0.00 0.00 41.25 39.03 1ngj s ASN 174 CO 0.16 -0.73 1.79 -0.33 -1.51 0.00 0.00 177.10 176.48 1ngj h GLU 175 N 2.52 0.45 -0.75 -0.60 5.08 -1.07 -1.77 114.58 118.44 1ngj h GLU 175 Ca -0.49 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ngj h GLU 175 Cb 1.24 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1ngj h GLU 175 CO 0.62 0.30 0.45 -1.00 -1.00 0.00 0.00 179.01 178.38 1ngj h PRO 176 N 0.47 1.02 -0.87 2.33 0.13 -1.93 -1.88 132.00 131.26 1ngj h PRO 176 Ca 0.18 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1ngj h PRO 176 Cb 0.05 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 30.92 1ngj h PRO 176 CO -0.10 0.72 0.51 1.15 -0.23 0.00 0.00 178.00 180.05 1ngj h THR 177 N 1.03 1.25 -0.46 1.56 2.02 -1.90 -1.55 112.91 114.85 1ngj h THR 177 Ca 0.27 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1ngj h THR 177 Cb -0.04 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1ngj h THR 177 CO -0.05 0.26 0.09 0.00 0.37 0.00 0.00 175.52 176.19 1ngj h ALA 178 N 1.28 1.29 -0.38 6.16 0.00 -0.84 -1.65 119.26 125.12 1ngj h ALA 178 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1ngj h ALA 178 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ngj h ALA 178 CO -0.06 0.49 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 1ngj h ALA 179 N 1.42 0.87 -0.39 0.00 0.00 -0.55 -2.11 119.26 118.50 1ngj h ALA 179 Ca 0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ngj h ALA 179 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ngj h ALA 179 CO 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1ngj h ALA 180 N 1.07 0.53 -0.14 0.00 0.00 -0.86 -2.93 119.26 116.93 1ngj h ALA 180 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ngj h ALA 180 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ngj h ALA 180 CO 0.06 0.35 -0.13 0.82 0.00 0.00 0.00 179.25 180.35 1ngj h ILE 181 N 0.54 1.18 -0.80 0.00 2.04 -1.21 -1.65 117.51 117.60 1ngj h ILE 181 Ca 0.11 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1ngj h ILE 181 Cb 0.53 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1ngj h ILE 181 CO 0.03 0.24 0.50 0.00 0.00 0.00 0.00 178.15 178.92 1ngj h ALA 182 N 1.65 1.38 -0.01 1.87 0.00 -1.19 -1.59 119.26 121.37 1ngj h ALA 182 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ngj h ALA 182 Cb 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ngj h ALA 182 CO 0.02 0.55 -0.08 0.66 0.00 0.00 0.00 179.25 180.41 1ngj n TYR 183 N -4.39 0.00 -1.54 0.00 4.01 -0.91 -4.93 117.16 109.40 1ngj n TYR 183 Ca 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1ngj n TYR 183 Cb 0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1ngj n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ngj n GLY 184 N 1.23 0.50 0.00 2.72 0.00 -0.60 -4.92 105.19 104.12 1ngj n GLY 184 Ca 0.17 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1ngj n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ngj n LEU 185 N -0.58 0.00 0.01 0.99 4.77 -0.67 -2.96 117.00 118.56 1ngj n LEU 185 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1ngj n LEU 185 Cb 0.32 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.55 1ngj n LEU 185 CO 0.07 0.00 0.28 -0.90 -1.33 0.00 0.00 177.39 175.51 1ngj n ASP 186 N -0.79 0.61 -4.78 -1.43 5.75 -1.26 -4.94 116.55 109.71 1ngj n ASP 186 Ca 0.13 -0.30 -0.41 0.00 -0.01 0.00 0.00 54.79 54.20 1ngj n ASP 186 Cb 0.06 0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1ngj n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ngj s LYS 187 N -3.06 4.14 -0.24 0.11 1.02 -1.15 -4.32 119.74 116.23 1ngj s LYS 187 Ca 0.09 2.53 -0.29 0.00 0.02 0.00 0.00 55.97 58.31 1ngj s LYS 187 Cb 0.16 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1ngj s LYS 187 CO 0.75 -0.49 1.29 0.15 -0.92 0.00 0.00 175.35 176.13 1ngj s LYS 188 N -2.04 4.05 0.00 1.68 1.02 -1.26 -4.84 119.74 118.35 1ngj s LYS 188 Ca 0.52 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1ngj s LYS 188 Cb -0.46 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1ngj s LYS 188 CO 0.62 -0.95 0.91 1.33 -0.92 0.00 0.00 175.35 176.34 1ngj n VAL 189 N 5.85 0.83 -0.58 3.17 0.24 -1.26 -5.09 118.33 121.50 1ngj n VAL 189 Ca 0.14 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1ngj n VAL 189 Cb 0.46 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1ngj n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngj n GLY 190 N -0.42 -3.82 0.00 7.63 0.00 -1.26 -5.06 105.19 102.26 1ngj n GLY 190 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1ngj n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngj n ALA 191 N 0.03 0.00 -1.68 4.61 0.00 -1.26 -4.99 120.51 117.23 1ngj n ALA 191 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ngj n ALA 191 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ngj n ALA 191 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ngj s GLU 192 N -2.94 3.26 -0.03 0.00 2.02 -1.26 -4.66 118.70 115.08 1ngj s GLU 192 Ca 0.00 1.41 -0.00 0.00 0.02 0.00 0.00 54.97 56.40 1ngj s GLU 192 Cb 0.00 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.25 1ngj s GLU 192 CO 0.00 -0.89 0.01 0.50 0.02 0.00 0.00 175.26 174.91 1ngj s ARG 193 N -3.70 0.24 -0.22 1.61 3.52 -0.89 -4.97 118.95 114.54 1ngj s ARG 193 Ca 0.68 0.13 -0.09 0.00 -0.13 0.00 0.00 55.73 56.32 1ngj s ARG 193 Cb -0.20 -0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 1ngj s ARG 193 CO 0.32 -0.18 0.11 -0.80 -0.81 0.00 0.00 175.30 173.94 1ngj s ASN 194 N 1.27 5.77 -0.03 -2.12 0.02 -1.26 -0.53 114.94 118.05 1ngj s ASN 194 Ca -0.06 0.05 0.07 0.00 -1.02 0.00 0.00 52.86 51.90 1ngj s ASN 194 Cb -0.13 -2.02 -0.02 0.00 0.02 0.00 0.00 41.25 39.10 1ngj s ASN 194 CO -0.02 0.09 -0.25 -0.69 0.02 0.00 0.00 177.10 176.25 1ngj s VAL 195 N 0.87 1.99 -0.20 1.60 1.01 0.46 -0.60 120.40 125.53 1ngj s VAL 195 Ca 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1ngj s VAL 195 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1ngj s VAL 195 CO 0.03 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.45 1ngj s LEU 196 N -0.41 3.14 -0.29 3.92 0.20 0.68 -0.73 118.68 125.19 1ngj s LEU 196 Ca 0.04 -0.25 -0.10 0.00 0.69 0.00 0.00 54.13 54.51 1ngj s LEU 196 Cb -0.11 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1ngj s LEU 196 CO 0.01 0.06 0.16 -0.63 -0.29 0.00 0.00 176.35 175.65 1ngj s ILE 197 N 1.04 4.88 -0.40 6.68 -1.09 0.84 -1.22 121.20 131.93 1ngj s ILE 197 Ca 0.01 -0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.21 1ngj s ILE 197 Cb -0.14 -3.39 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 1ngj s ILE 197 CO 0.01 0.17 0.22 0.12 -1.23 0.00 0.00 174.94 174.23 1ngj s PHE 198 N 1.68 3.33 -0.33 3.97 2.19 -0.85 -1.36 117.98 126.61 1ngj s PHE 198 Ca 0.06 -1.54 -0.01 0.00 0.33 0.00 0.00 56.93 55.77 1ngj s PHE 198 Cb -0.16 -2.79 0.07 0.00 -1.31 0.00 0.00 43.02 38.83 1ngj s PHE 198 CO 0.08 -0.82 0.04 0.34 1.83 0.00 0.00 175.22 176.69 1ngj s ASP 199 N 1.90 4.92 -0.40 6.13 -1.08 0.29 -0.97 116.67 127.47 1ngj s ASP 199 Ca 0.02 -1.55 0.03 0.00 -0.52 0.00 0.00 52.55 50.53 1ngj s ASP 199 Cb -0.22 -1.72 0.11 0.00 -1.46 0.00 0.00 42.92 39.64 1ngj s ASP 199 CO 0.02 -0.33 0.13 -0.22 0.52 0.00 0.00 175.17 175.28 1ngj s LEU 200 N 1.18 4.30 0.00 -1.34 2.96 -0.77 -0.17 118.68 124.84 1ngj s LEU 200 Ca -0.01 -2.39 0.00 0.00 -0.22 0.00 0.00 54.13 51.51 1ngj s LEU 200 Cb -0.20 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1ngj s LEU 200 CO -0.03 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 1ngj n GLY 201 N 3.92 1.68 0.21 7.98 0.00 -0.76 -1.60 105.19 116.62 1ngj n GLY 201 Ca 0.04 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 1ngj n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngj h GLY 202 N 0.00 0.77 0.00 -0.02 0.00 -1.93 -0.86 103.07 101.03 1ngj h GLY 202 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 47.33 46.17 1ngj h GLY 202 CO 0.00 1.03 0.00 0.61 0.00 0.00 0.00 176.54 178.18 1ngj n GLY 203 N 0.79 0.64 3.14 4.60 0.00 -1.26 -1.36 105.19 111.75 1ngj n GLY 203 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1ngj n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngj s THR 204 N -0.00 0.73 -0.15 2.61 -4.23 -1.06 -2.89 115.64 110.65 1ngj s THR 204 Ca 0.00 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1ngj s THR 204 Cb 0.00 -1.31 0.04 0.00 1.34 0.00 0.00 72.50 72.57 1ngj s THR 204 CO 0.00 -0.65 -0.06 0.12 -0.54 0.00 0.00 174.62 173.49 1ngj s PHE 205 N -2.69 1.61 -0.08 3.99 5.36 0.47 -1.83 117.98 124.81 1ngj s PHE 205 Ca 0.04 -0.97 0.03 0.00 -0.96 0.00 0.00 56.93 55.07 1ngj s PHE 205 Cb -0.01 -1.28 0.01 0.00 -0.34 0.00 0.00 43.02 41.40 1ngj s PHE 205 CO -0.02 -0.58 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.49 1ngj s ASP 206 N 1.66 2.23 -0.17 6.13 1.01 0.76 0.07 116.67 128.37 1ngj s ASP 206 Ca 0.02 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 52.89 1ngj s ASP 206 Cb -0.14 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.76 1ngj s ASP 206 CO -0.08 0.07 -0.15 -0.69 0.21 0.00 0.00 175.17 174.53 1ngj s VAL 207 N 0.62 2.62 -0.05 -1.27 1.01 0.90 -0.54 120.40 123.69 1ngj s VAL 207 Ca -0.15 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1ngj s VAL 207 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1ngj s VAL 207 CO 0.04 0.50 -0.09 -0.44 0.00 0.00 0.00 175.10 175.12 1ngj s SER 208 N 1.08 1.35 -0.30 3.32 0.01 -0.46 -0.50 113.70 118.19 1ngj s SER 208 Ca -0.00 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 56.97 1ngj s SER 208 Cb -0.14 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.54 1ngj s SER 208 CO -0.04 0.02 0.10 -0.63 0.41 0.00 0.00 173.24 173.10 1ngj s ILE 209 N 0.57 4.13 -0.04 1.44 1.01 -0.26 -0.11 121.20 127.94 1ngj s ILE 209 Ca -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1ngj s ILE 209 Cb -0.13 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1ngj s ILE 209 CO 0.02 0.06 -0.02 -0.76 0.00 0.00 0.00 174.94 174.24 1ngj s LEU 210 N 1.52 3.44 -0.15 2.97 1.43 0.09 -0.64 118.68 127.35 1ngj s LEU 210 Ca 0.03 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1ngj s LEU 210 Cb -0.17 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1ngj s LEU 210 CO 0.03 0.32 -0.12 -0.89 0.23 0.00 0.00 176.35 175.92 1ngj s THR 211 N -0.98 3.02 -0.22 5.49 2.01 0.29 -0.40 115.64 124.84 1ngj s THR 211 Ca 0.16 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1ngj s THR 211 Cb -0.11 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1ngj s THR 211 CO 0.06 0.51 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.75 1ngj s ILE 212 N 0.59 1.92 -0.05 1.82 1.01 0.31 -0.51 121.20 126.28 1ngj s ILE 212 Ca -0.07 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.33 1ngj s ILE 212 Cb -0.16 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1ngj s ILE 212 CO 0.03 0.14 -0.11 -0.70 0.00 0.00 0.00 174.94 174.30 1ngj s GLU 213 N 1.26 1.38 -1.44 2.79 2.12 -0.92 -2.10 118.70 121.79 1ngj s GLU 213 Ca -0.04 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1ngj s GLU 213 Cb -0.17 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.02 1ngj s GLU 213 CO -0.08 0.06 0.00 -3.47 -0.54 0.00 0.00 175.26 171.23 1ngj n ASP 214 N 3.64 -5.31 0.00 -1.70 2.03 -1.26 -0.82 116.55 113.12 1ngj n ASP 214 Ca -0.22 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1ngj n ASP 214 Cb 0.52 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 1ngj n ASP 214 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ngj n GLY 215 N 0.04 0.60 3.65 0.27 0.00 -1.26 -4.92 105.19 103.57 1ngj n GLY 215 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1ngj n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngj s ILE 216 N -2.38 5.33 0.30 -0.61 1.09 0.00 -5.04 121.20 119.89 1ngj s ILE 216 Ca 0.00 0.25 -0.17 0.00 -1.10 0.00 0.00 60.65 59.63 1ngj s ILE 216 Cb 0.00 -3.54 -0.09 0.00 -1.06 0.00 0.00 42.46 37.78 1ngj s ILE 216 CO 0.00 0.31 0.75 -0.36 -0.10 0.00 0.00 174.94 175.54 1ngj s PHE 217 N 1.23 3.45 -0.18 3.97 0.40 -1.26 -2.15 117.98 123.44 1ngj s PHE 217 Ca 0.09 1.30 -0.04 0.00 -0.60 0.00 0.00 56.93 57.67 1ngj s PHE 217 Cb -0.14 -2.58 0.08 0.00 0.51 0.00 0.00 43.02 40.88 1ngj s PHE 217 CO 0.06 0.15 0.17 -2.00 0.70 0.00 0.00 175.22 174.31 1ngj s GLU 218 N -2.69 0.13 -0.58 0.44 2.12 0.33 -4.96 118.70 113.49 1ngj s GLU 218 Ca 0.51 0.17 -0.27 0.00 0.36 0.00 0.00 54.97 55.74 1ngj s GLU 218 Cb -0.12 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.02 1ngj s GLU 218 CO 0.18 -0.61 1.54 0.08 -0.54 0.00 0.00 175.26 175.92 1ngj s VAL 219 N 2.27 3.64 0.11 3.70 1.01 -1.26 -0.55 120.40 129.32 1ngj s VAL 219 Ca 0.05 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1ngj s VAL 219 Cb -0.15 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 1ngj s VAL 219 CO -0.10 -1.13 1.34 0.11 0.00 0.00 0.00 175.10 175.32 1ngj h LYS 220 N 12.09 0.81 -2.97 2.72 1.79 -1.23 -3.48 116.57 126.30 1ngj h LYS 220 Ca -0.27 -0.62 -0.01 0.00 -2.18 0.00 0.00 60.65 57.57 1ngj h LYS 220 Cb 1.11 0.11 -0.12 0.00 -1.58 0.00 0.00 32.23 31.76 1ngj h LYS 220 CO 1.19 1.23 0.22 0.45 -1.08 0.00 0.00 179.45 181.46 1ngj s SER 221 N -7.06 -0.54 0.01 0.86 0.15 -1.13 -4.63 113.70 101.35 1ngj s SER 221 Ca -0.10 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 1ngj s SER 221 Cb 0.09 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1ngj s SER 221 CO 0.90 -0.98 0.24 0.42 1.20 0.00 0.00 173.24 175.03 1ngj s THR 222 N -3.73 0.08 0.30 6.45 -4.23 -1.26 -1.10 115.64 112.15 1ngj s THR 222 Ca 0.02 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 1ngj s THR 222 Cb -0.01 -0.70 0.06 0.00 1.34 0.00 0.00 72.50 73.19 1ngj s THR 222 CO -0.12 -0.36 0.85 0.00 -0.54 0.00 0.00 174.62 174.45 1ngj n ALA 223 N 1.05 -2.05 0.00 3.99 0.00 0.34 -4.83 120.51 119.00 1ngj n ALA 223 Ca -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1ngj n ALA 223 Cb 0.57 0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.82 1ngj n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngj n GLY 224 N -0.58 0.79 3.14 0.00 0.00 -1.26 -0.07 105.19 107.21 1ngj n GLY 224 Ca -0.06 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1ngj n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ngj s ASP 225 N -4.00 -0.08 0.09 1.61 -1.08 0.11 -4.95 116.67 108.37 1ngj s ASP 225 Ca 0.00 0.76 0.18 0.00 -0.52 0.00 0.00 52.55 52.97 1ngj s ASP 225 Cb 0.00 0.87 0.77 0.00 -1.46 0.00 0.00 42.92 43.09 1ngj s ASP 225 CO 0.00 -0.22 1.57 0.35 0.52 0.00 0.00 175.17 177.39 1ngj n THR 226 N 5.00 0.89 -2.56 1.71 -2.24 -1.26 -0.40 114.28 115.42 1ngj n THR 226 Ca -0.13 0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1ngj n THR 226 Cb 0.51 -1.02 0.02 0.00 -2.10 0.00 0.00 70.33 67.74 1ngj n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ngj n HIS 227 N -1.75 2.20 -3.68 4.78 8.25 -1.26 -4.51 115.22 119.25 1ngj n HIS 227 Ca 0.03 -2.86 -0.17 0.00 -0.26 0.00 0.00 57.72 54.46 1ngj n HIS 227 Cb 0.20 -0.24 -0.16 0.00 1.12 0.00 0.00 29.99 30.91 1ngj n HIS 227 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ngj s LEU 228 N -3.36 0.13 0.00 2.41 1.98 -1.14 -5.00 118.68 113.69 1ngj s LEU 228 Ca 0.37 0.25 -0.06 0.00 -2.89 0.00 0.00 54.13 51.80 1ngj s LEU 228 Cb 0.42 0.17 0.02 0.00 0.66 0.00 0.00 46.19 47.46 1ngj s LEU 228 CO -0.06 -0.23 0.29 0.61 -1.89 0.00 0.00 176.35 175.07 1ngj n GLY 229 N 5.13 0.93 0.40 7.98 0.00 -1.26 -2.57 105.19 115.80 1ngj n GLY 229 Ca -0.08 -0.95 0.19 0.00 0.00 0.00 0.00 46.02 45.18 1ngj n GLY 229 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngj h GLY 230 N 0.51 0.55 1.30 -0.02 0.00 0.13 -1.25 103.07 104.28 1ngj h GLY 230 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ngj h GLY 230 CO 0.09 0.02 0.45 0.83 0.00 0.00 0.00 176.54 177.93 1ngj h GLU 231 N 0.29 0.87 -0.13 4.80 5.08 -1.52 -1.77 114.58 122.20 1ngj h GLU 231 Ca 0.39 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1ngj h GLU 231 Cb 1.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ngj h GLU 231 CO -0.10 0.58 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.67 1ngj h ASP 232 N 0.90 0.27 -0.39 1.42 5.19 -1.48 -1.13 116.42 121.19 1ngj h ASP 232 Ca 0.26 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.41 1ngj h ASP 232 Cb -0.06 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1ngj h ASP 232 CO -0.06 0.63 -0.36 -0.26 -3.12 0.00 0.00 179.24 176.06 1ngj h PHE 233 N 0.23 1.13 -0.15 4.55 0.04 -1.34 -2.69 116.94 118.71 1ngj h PHE 233 Ca 0.03 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 1ngj h PHE 233 Cb 0.76 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1ngj h PHE 233 CO 0.01 1.16 0.08 -0.44 -0.60 0.00 0.00 178.31 178.52 1ngj h ASP 234 N 0.78 0.18 -0.94 2.17 3.32 -1.03 -2.76 116.42 118.14 1ngj h ASP 234 Ca 0.07 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.16 1ngj h ASP 234 Cb 0.95 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.38 1ngj h ASP 234 CO 0.09 0.22 0.60 0.78 -1.72 0.00 0.00 179.24 179.21 1ngj h ASN 235 N 0.14 0.81 -0.48 6.45 2.35 -1.11 0.41 115.58 124.15 1ngj h ASN 235 Ca 0.05 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1ngj h ASN 235 Cb 0.07 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1ngj h ASN 235 CO -0.01 0.43 0.14 0.03 -1.65 0.00 0.00 177.43 176.37 1ngj h ARG 236 N 0.87 0.81 -0.35 0.81 2.47 -1.20 -0.11 114.38 117.67 1ngj h ARG 236 Ca 0.47 -0.16 -0.12 0.00 -1.26 0.00 0.00 59.98 58.91 1ngj h ARG 236 Cb 0.56 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1ngj h ARG 236 CO -0.23 0.72 -0.24 0.52 0.56 0.00 0.00 179.97 181.30 1ngj h MET 237 N 0.78 0.79 0.36 0.04 2.86 -0.81 -2.11 114.93 116.84 1ngj h MET 237 Ca 0.18 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1ngj h MET 237 Cb 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1ngj h MET 237 CO -0.00 1.00 -0.31 0.28 1.06 0.00 0.00 176.91 178.93 1ngj h VAL 238 N 0.57 0.35 -0.69 -2.22 2.07 -0.52 0.50 116.25 116.31 1ngj h VAL 238 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1ngj h VAL 238 Cb 0.80 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1ngj h VAL 238 CO 0.07 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.89 1ngj h ASN 239 N -0.68 0.50 -0.50 0.57 4.21 -1.04 0.15 115.58 118.79 1ngj h ASN 239 Ca -0.03 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 1ngj h ASN 239 Cb 0.61 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 1ngj h ASN 239 CO -0.03 0.30 0.01 -0.74 -1.29 0.00 0.00 177.43 175.68 1ngj h HIS 240 N 0.56 0.95 0.00 1.19 -0.00 -0.62 -2.76 115.15 114.47 1ngj h HIS 240 Ca 0.32 -0.16 -0.15 0.00 -0.00 0.00 0.00 60.37 60.38 1ngj h HIS 240 Cb 0.51 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 1ngj h HIS 240 CO -0.00 0.89 -0.71 0.74 -0.00 0.00 0.00 177.93 178.84 1ngj h PHE 241 N 0.74 0.00 -0.50 5.26 0.04 0.79 -2.79 116.94 120.48 1ngj h PHE 241 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1ngj h PHE 241 Cb 0.50 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1ngj h PHE 241 CO 0.04 0.71 0.19 0.82 -0.60 0.00 0.00 178.31 179.47 1ngj h ILE 242 N 0.00 1.22 -0.53 -0.55 2.04 -0.73 -0.40 117.51 118.56 1ngj h ILE 242 Ca -0.01 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1ngj h ILE 242 Cb 1.46 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1ngj h ILE 242 CO 0.09 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.64 1ngj h ALA 243 N 1.04 1.24 -0.29 1.87 0.00 -1.47 -1.93 119.26 119.72 1ngj h ALA 243 Ca 0.17 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1ngj h ALA 243 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ngj h ALA 243 CO -0.01 0.53 -0.43 1.49 0.00 0.00 0.00 179.25 180.83 1ngj h GLU 244 N 0.77 0.81 -0.41 0.00 4.81 -1.17 -1.85 114.58 117.55 1ngj h GLU 244 Ca 0.17 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1ngj h GLU 244 Cb 0.28 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1ngj h GLU 244 CO -0.00 1.11 0.21 0.35 -0.73 0.00 0.00 179.01 179.95 1ngj h PHE 245 N 0.58 0.57 -0.53 0.92 3.57 -0.87 -1.27 116.94 119.90 1ngj h PHE 245 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ngj h PHE 245 Cb 1.02 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1ngj h PHE 245 CO 0.07 0.45 0.35 -0.22 -2.23 0.00 0.00 178.31 176.74 1ngj h LYS 246 N 0.52 0.65 0.51 1.11 3.64 -1.31 0.31 116.57 121.99 1ngj h LYS 246 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1ngj h LYS 246 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1ngj h LYS 246 CO -0.02 0.43 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.25 1ngj h ARG 247 N 0.67 -0.66 0.00 1.90 2.43 -0.66 0.28 114.38 118.34 1ngj h ARG 247 Ca 0.21 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1ngj h ARG 247 Cb 0.01 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1ngj h ARG 247 CO -0.05 -0.35 -0.47 0.87 -1.51 0.00 0.00 179.97 178.45 1ngj h LYS 248 N -1.02 0.00 0.00 0.20 1.57 -0.98 -3.32 116.57 113.01 1ngj h LYS 248 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ngj h LYS 248 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ngj h LYS 248 CO 0.11 0.47 -0.01 0.72 -0.57 0.00 0.00 179.45 180.18 1ngj n HIS 249 N -3.87 0.00 -3.88 -1.35 8.25 0.10 -5.01 115.22 109.47 1ngj n HIS 249 Ca -0.01 -0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 56.78 1ngj n HIS 249 Cb 0.51 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 1ngj n HIS 249 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ngj n LYS 250 N -0.38 -1.36 -4.83 -0.41 0.00 1.00 -4.92 118.16 107.25 1ngj n LYS 250 Ca 0.01 0.10 -0.27 0.00 -0.00 0.00 0.00 58.31 58.14 1ngj n LYS 250 Cb 0.35 -4.51 -0.17 0.00 -0.00 0.00 0.00 35.03 30.70 1ngj n LYS 250 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ngj s LYS 251 N -6.42 2.07 -0.35 -1.58 3.01 -1.25 -5.01 119.74 110.20 1ngj s LYS 251 Ca 0.58 -0.60 -0.14 0.00 -1.01 0.00 0.00 55.97 54.80 1ngj s LYS 251 Cb -0.34 -1.68 -0.01 0.00 -1.01 0.00 0.00 37.83 34.79 1ngj s LYS 251 CO 0.71 0.14 0.30 0.34 0.51 0.00 0.00 175.35 177.34 1ngj s ASP 252 N 0.38 6.11 0.00 2.83 -1.08 -1.26 -3.44 116.67 120.21 1ngj s ASP 252 Ca -0.12 -0.45 0.19 0.00 -0.52 0.00 0.00 52.55 51.65 1ngj s ASP 252 Cb -0.15 -2.16 0.60 0.00 -1.46 0.00 0.00 42.92 39.75 1ngj s ASP 252 CO 0.05 -0.31 1.46 2.30 0.52 0.00 0.00 175.17 179.18 1ngj n ILE 253 N 5.17 0.33 -0.03 4.11 -5.35 -1.26 -4.48 119.36 117.85 1ngj n ILE 253 Ca -0.11 -0.44 -0.09 0.00 -0.27 0.00 0.00 62.75 61.84 1ngj n ILE 253 Cb 0.49 0.41 -0.02 0.00 -1.74 0.00 0.00 39.64 38.78 1ngj n ILE 253 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ngj h SER 254 N 2.49 -0.78 -0.95 7.28 0.02 -1.96 -2.58 113.55 117.09 1ngj h SER 254 Ca 0.00 0.13 0.17 0.00 -0.84 0.00 0.00 61.79 61.25 1ngj h SER 254 Cb 0.55 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.37 1ngj h SER 254 CO 0.00 -0.28 0.60 1.05 -1.14 0.00 0.00 176.83 177.06 1ngj h GLU 255 N -0.27 0.69 -6.15 3.45 -0.00 -2.04 -3.38 114.58 106.88 1ngj h GLU 255 Ca 0.12 -0.04 -0.52 0.00 -0.00 0.00 0.00 59.36 58.93 1ngj h GLU 255 Cb 0.46 -0.16 -0.06 0.00 -0.00 0.00 0.00 28.75 29.00 1ngj h GLU 255 CO -0.36 0.46 1.22 1.21 -0.00 0.00 0.00 179.01 181.53 1ngj s ASN 256 N -5.62 5.68 0.44 3.06 3.84 -0.97 -4.86 114.94 116.50 1ngj s ASN 256 Ca -0.10 -0.05 0.13 0.00 0.21 0.00 0.00 52.86 53.05 1ngj s ASN 256 Cb 0.23 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 39.40 1ngj s ASN 256 CO 0.80 -2.13 2.01 0.11 -2.79 0.00 0.00 177.10 175.10 1ngj h LYS 257 N 12.63 0.40 -0.22 0.43 6.56 -1.84 -2.38 116.57 132.15 1ngj h LYS 257 Ca -0.26 -0.02 -0.16 0.00 -1.06 0.00 0.00 60.65 59.15 1ngj h LYS 257 Cb 1.11 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1ngj h LYS 257 CO 1.25 0.26 -0.48 -0.09 -2.06 0.00 0.00 179.45 178.33 1ngj h ARG 258 N 0.41 0.72 -0.51 3.15 2.43 -1.89 -1.85 114.38 116.84 1ngj h ARG 258 Ca 0.23 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1ngj h ARG 258 Cb 0.37 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1ngj h ARG 258 CO -0.06 1.10 0.33 0.00 -1.51 0.00 0.00 179.97 179.83 1ngj h ALA 259 N 0.62 0.64 -0.38 2.80 0.00 -1.68 -1.54 119.26 119.73 1ngj h ALA 259 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ngj h ALA 259 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ngj h ALA 259 CO 0.11 0.10 0.10 0.28 0.00 0.00 0.00 179.25 179.83 1ngj h VAL 260 N 0.69 1.22 -0.15 0.00 2.07 -1.46 -1.33 116.25 117.29 1ngj h VAL 260 Ca 0.19 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1ngj h VAL 260 Cb -0.06 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ngj h VAL 260 CO -0.04 0.26 -0.25 0.03 0.02 0.00 0.00 177.57 177.60 1ngj h ARG 261 N 0.46 0.28 -0.04 1.57 3.08 -1.16 0.21 114.38 118.78 1ngj h ARG 261 Ca 0.12 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1ngj h ARG 261 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ngj h ARG 261 CO 0.00 0.51 -0.69 0.00 -1.07 0.00 0.00 179.97 178.72 1ngj h ARG 262 N 0.25 0.21 -0.33 0.04 3.08 -1.09 -2.26 114.38 114.29 1ngj h ARG 262 Ca 0.04 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 1ngj h ARG 262 Cb 0.57 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ngj h ARG 262 CO 0.04 0.82 -0.46 1.25 -1.07 0.00 0.00 179.97 180.55 1ngj h LEU 263 N 0.14 0.97 -0.57 3.04 5.85 -0.68 -2.58 115.31 121.49 1ngj h LEU 263 Ca -0.02 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1ngj h LEU 263 Cb 1.24 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1ngj h LEU 263 CO 0.11 1.28 0.27 -0.09 -0.34 0.00 0.00 178.44 179.67 1ngj h ARG 264 N 0.69 0.82 -0.93 1.25 2.43 -0.86 0.19 114.38 117.96 1ngj h ARG 264 Ca 0.04 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ngj h ARG 264 Cb 1.06 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 1ngj h ARG 264 CO 0.11 0.67 0.60 1.15 -1.51 0.00 0.00 179.97 180.99 1ngj h THR 265 N 0.77 1.25 -0.46 0.20 2.02 -1.37 -0.67 112.91 114.64 1ngj h THR 265 Ca 0.19 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1ngj h THR 265 Cb 0.13 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1ngj h THR 265 CO -0.02 0.24 -0.26 0.00 0.37 0.00 0.00 175.52 175.85 1ngj h ALA 266 N 1.39 0.66 -0.33 6.16 0.00 -0.97 -2.92 119.26 123.25 1ngj h ALA 266 Ca 0.34 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ngj h ALA 266 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ngj h ALA 266 CO -0.07 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1ngj h GLU 268 N 0.39 0.94 -0.04 0.00 4.22 -1.14 0.11 114.58 119.06 1ngj h GLU 268 Ca 0.09 -0.06 -0.21 0.00 0.08 0.00 0.00 59.36 59.27 1ngj h GLU 268 Cb 0.46 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ngj h GLU 268 CO 0.02 0.62 -0.84 -0.09 -2.18 0.00 0.00 179.01 176.53 1ngj h ARG 269 N 0.97 0.40 -0.16 1.92 2.43 -1.35 -2.88 114.38 115.71 1ngj h ARG 269 Ca 0.39 -0.38 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1ngj h ARG 269 Cb 0.25 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1ngj h ARG 269 CO -0.15 1.04 -0.51 0.00 -1.51 0.00 0.00 179.97 178.84 1ngj h ALA 270 N 0.83 0.82 -0.62 2.80 0.00 -0.44 -2.98 119.26 119.67 1ngj h ALA 270 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1ngj h ALA 270 Cb 1.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1ngj h ALA 270 CO 0.14 0.67 0.41 -0.22 0.00 0.00 0.00 179.25 180.26 1ngj h LYS 271 N 0.35 0.82 -0.78 0.00 3.64 -0.76 -0.83 116.57 119.01 1ngj h LYS 271 Ca 0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1ngj h LYS 271 Cb 1.02 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1ngj h LYS 271 CO 0.09 0.54 0.33 0.00 -2.27 0.00 0.00 179.45 178.14 1ngj h ARG 272 N 0.85 1.16 -0.66 1.90 3.08 -1.45 -2.53 114.38 116.73 1ngj h ARG 272 Ca 0.23 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1ngj h ARG 272 Cb -0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.73 1ngj h ARG 272 CO -0.05 0.93 0.18 1.15 -1.07 0.00 0.00 179.97 181.11 1ngj h THR 273 N 1.13 1.25 0.00 2.04 2.02 -1.29 -2.54 112.91 115.52 1ngj h THR 273 Ca 0.26 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1ngj h THR 273 Cb 0.19 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ngj h THR 273 CO -0.02 0.34 -0.03 -0.07 0.37 0.00 0.00 175.52 176.11 1ngj h LEU 274 N 0.98 0.00 0.00 2.58 4.07 -0.73 0.16 115.31 122.37 1ngj h LEU 274 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1ngj h LEU 274 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1ngj h LEU 274 CO -0.00 0.03 0.00 -1.20 -1.08 0.00 0.00 178.44 176.19 1ngj n SER 275 N -3.76 0.00 0.00 -0.43 7.64 -0.96 -3.40 113.62 112.71 1ngj n SER 275 Ca -0.03 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ngj n SER 275 Cb 0.12 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1ngj n SER 275 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ngj n SER 276 N -1.28 0.06 -4.16 6.43 2.88 -0.57 -4.69 113.62 112.30 1ngj n SER 276 Ca 0.11 -0.38 -0.10 0.00 -1.33 0.00 0.00 58.87 57.16 1ngj n SER 276 Cb 0.17 0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.66 1ngj n SER 276 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ngj s SER 277 N -0.13 0.86 0.05 -3.46 0.01 0.45 -5.06 113.70 106.42 1ngj s SER 277 Ca 0.00 -1.06 0.26 0.00 1.31 0.00 0.00 55.95 56.46 1ngj s SER 277 Cb 0.00 0.15 0.71 0.00 0.21 0.00 0.00 66.02 67.10 1ngj s SER 277 CO 0.00 -0.55 1.58 0.35 0.41 0.00 0.00 173.24 175.03 1ngj n THR 278 N -0.04 0.14 -3.53 1.44 -2.24 -1.26 -4.30 114.28 104.48 1ngj n THR 278 Ca -0.11 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 1ngj n THR 278 Cb 0.62 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1ngj n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ngj s GLN 279 N -3.05 0.92 0.02 -0.78 -2.07 -1.26 0.66 119.66 114.11 1ngj s GLN 279 Ca 0.11 0.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.81 1ngj s GLN 279 Cb 0.17 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.50 1ngj s GLN 279 CO 0.65 -0.30 -0.04 0.00 -1.32 0.00 0.00 175.29 174.28 1ngj s ALA 280 N -1.40 0.20 0.01 2.60 0.00 -0.06 -4.88 121.76 118.23 1ngj s ALA 280 Ca -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1ngj s ALA 280 Cb -0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ngj s ALA 280 CO 0.05 -0.12 0.22 -1.54 0.00 0.00 0.00 175.76 174.38 1ngj s SER 281 N -1.35 6.42 -0.33 0.00 1.04 -1.26 -0.69 113.70 117.52 1ngj s SER 281 Ca -0.13 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 56.66 1ngj s SER 281 Cb -0.09 -2.03 0.04 0.00 0.10 0.00 0.00 66.02 64.03 1ngj s SER 281 CO -0.01 0.25 0.10 -0.63 0.98 0.00 0.00 173.24 173.93 1ngj s ILE 282 N -1.34 3.81 -0.35 -1.02 -1.09 0.12 -4.90 121.20 116.43 1ngj s ILE 282 Ca 0.28 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.64 1ngj s ILE 282 Cb -0.13 -3.13 0.10 0.00 -1.58 0.00 0.00 42.46 37.71 1ngj s ILE 282 CO 0.18 -0.15 0.07 -0.70 -1.23 0.00 0.00 174.94 173.12 1ngj s GLU 283 N 1.41 1.70 -0.20 2.79 2.12 -1.26 -0.62 118.70 124.65 1ngj s GLU 283 Ca -0.01 -1.80 0.01 0.00 0.36 0.00 0.00 54.97 53.53 1ngj s GLU 283 Cb -0.19 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 30.96 1ngj s GLU 283 CO 0.03 -0.93 -0.14 0.42 -0.54 0.00 0.00 175.26 174.10 1ngj s ILE 284 N 0.99 1.88 0.12 -3.70 1.01 -0.33 -5.02 121.20 116.15 1ngj s ILE 284 Ca 0.08 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 1ngj s ILE 284 Cb -0.20 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 1ngj s ILE 284 CO -0.07 0.28 1.00 -1.81 0.00 0.00 0.00 174.94 174.34 1ngj s ASP 285 N 1.31 7.44 -0.98 3.58 1.01 -1.26 -0.14 116.67 127.62 1ngj s ASP 285 Ca -0.00 1.86 -0.13 0.00 0.71 0.00 0.00 52.55 54.99 1ngj s ASP 285 Cb -0.16 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.19 1ngj s ASP 285 CO -0.09 -0.11 0.68 -0.24 0.21 0.00 0.00 175.17 175.61 1ngj n SER 286 N 2.75 -5.13 0.02 0.27 2.88 -1.24 -4.91 113.62 108.27 1ngj n SER 286 Ca 0.03 -0.96 -0.13 0.00 -1.33 0.00 0.00 58.87 56.48 1ngj n SER 286 Cb 0.48 -2.47 -0.09 0.00 -0.75 0.00 0.00 64.21 61.38 1ngj n SER 286 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ngj h LEU 287 N -1.14 -0.09 -7.84 2.46 5.85 -0.95 -3.45 115.31 110.15 1ngj h LEU 287 Ca -0.59 -0.44 -0.42 0.00 0.84 0.00 0.00 57.88 57.28 1ngj h LEU 287 Cb 1.35 0.02 -0.33 0.00 0.37 0.00 0.00 40.66 42.07 1ngj h LEU 287 CO 0.42 0.42 -0.78 -0.47 -0.34 0.00 0.00 178.44 177.69 1ngj s TYR 288 N -4.01 0.84 0.00 1.25 5.04 -1.24 -4.55 117.35 114.68 1ngj s TYR 288 Ca -0.15 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1ngj s TYR 288 Cb 0.01 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.65 1ngj s TYR 288 CO 0.61 -0.16 0.00 0.39 -1.34 0.00 0.00 175.55 175.05 1ngj n GLU 289 N 3.73 0.00 -0.19 4.97 1.02 -1.26 -1.24 120.64 127.66 1ngj n GLU 289 Ca -0.22 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1ngj n GLU 289 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.12 1ngj n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ngj n GLY 290 N 0.00 4.68 3.66 0.62 0.00 -1.26 -4.87 105.19 108.02 1ngj n GLY 290 Ca 0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1ngj n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngj s ILE 291 N -2.88 4.94 0.23 -0.61 1.01 -0.38 -4.64 121.20 118.87 1ngj s ILE 291 Ca 0.35 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 62.15 1ngj s ILE 291 Cb 0.30 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1ngj s ILE 291 CO 0.04 0.06 0.84 -1.81 0.00 0.00 0.00 174.94 174.07 1ngj s ASP 292 N 1.20 7.38 -0.42 3.58 1.01 -1.26 -0.47 116.67 127.69 1ngj s ASP 292 Ca 0.33 1.72 -0.04 0.00 0.71 0.00 0.00 52.55 55.27 1ngj s ASP 292 Cb -0.16 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.35 1ngj s ASP 292 CO 0.11 0.11 0.23 0.12 0.21 0.00 0.00 175.17 175.95 1ngj s PHE 293 N -1.33 3.54 -0.26 4.23 5.36 0.80 -4.89 117.98 125.44 1ngj s PHE 293 Ca 0.41 -2.27 -0.03 0.00 -0.96 0.00 0.00 56.93 54.09 1ngj s PHE 293 Cb -0.22 -3.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1ngj s PHE 293 CO 0.26 -0.97 -0.03 0.71 -1.46 0.00 0.00 175.22 173.73 1ngj s TYR 294 N 1.20 3.09 0.00 10.12 1.51 -1.26 -1.18 117.35 130.82 1ngj s TYR 294 Ca 0.07 -1.44 0.00 0.00 -1.01 0.00 0.00 57.07 54.69 1ngj s TYR 294 Cb -0.23 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 1ngj s TYR 294 CO -0.03 -0.70 0.00 0.25 -1.11 0.00 0.00 175.55 173.96 1ngj n THR 295 N 4.71 0.00 -3.54 -0.71 -2.24 0.21 -5.00 114.28 107.71 1ngj n THR 295 Ca -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1ngj n THR 295 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1ngj n THR 295 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ngj s SER 296 N 1.64 -0.31 0.14 3.42 1.04 -1.26 0.12 113.70 118.49 1ngj s SER 296 Ca 0.00 -0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1ngj s SER 296 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1ngj s SER 296 CO 0.00 -0.58 -0.13 -0.63 0.98 0.00 0.00 173.24 172.88 1ngj s ILE 297 N -3.01 1.36 0.21 -1.02 1.09 0.13 -4.92 121.20 115.03 1ngj s ILE 297 Ca 0.06 -1.91 0.07 0.00 -1.10 0.00 0.00 60.65 57.77 1ngj s ILE 297 Cb -0.01 -1.72 -0.04 0.00 -1.06 0.00 0.00 42.46 39.63 1ngj s ILE 297 CO -0.08 -0.55 0.08 0.42 -0.10 0.00 0.00 174.94 174.71 1ngj s THR 298 N -2.66 4.03 0.40 2.92 -4.23 -1.26 -0.88 115.64 113.96 1ngj s THR 298 Ca 0.14 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1ngj s THR 298 Cb -0.02 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1ngj s THR 298 CO 0.03 -0.22 2.05 -0.09 -0.54 0.00 0.00 174.62 175.85 1ngj h ARG 299 N 2.19 0.57 -0.33 3.99 2.43 -0.04 -0.22 114.38 122.97 1ngj h ARG 299 Ca -0.47 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ngj h ARG 299 Cb 1.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1ngj h ARG 299 CO 0.60 0.39 0.12 0.00 -1.51 0.00 0.00 179.97 179.57 1ngj h ALA 300 N 1.72 0.42 -0.55 2.80 0.00 -1.95 0.21 119.26 121.90 1ngj h ALA 300 Ca 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1ngj h ALA 300 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ngj h ALA 300 CO -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.22 1ngj h ARG 301 N 0.38 0.98 0.17 0.00 2.47 -1.78 -0.74 114.38 115.86 1ngj h ARG 301 Ca 0.11 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1ngj h ARG 301 Cb 0.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1ngj h ARG 301 CO -0.01 0.99 -0.08 0.35 0.56 0.00 0.00 179.97 181.78 1ngj h PHE 302 N 0.90 -0.21 -1.00 3.04 3.57 -0.64 0.77 116.94 123.36 1ngj h PHE 302 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1ngj h PHE 302 Cb 0.57 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1ngj h PHE 302 CO 0.04 -0.09 0.66 0.93 -2.23 0.00 0.00 178.31 177.62 1ngj h GLU 303 N -0.29 1.26 -0.64 1.11 5.08 -0.52 -1.86 114.58 118.73 1ngj h GLU 303 Ca -0.02 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1ngj h GLU 303 Cb 0.22 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1ngj h GLU 303 CO 0.04 0.84 0.20 1.49 -1.00 0.00 0.00 179.01 180.57 1ngj h GLU 304 N 1.30 0.98 0.00 2.33 4.57 -0.71 0.17 114.58 123.21 1ngj h GLU 304 Ca 0.39 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1ngj h GLU 304 Cb -0.06 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1ngj h GLU 304 CO -0.11 0.84 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.23 1ngj h LEU 305 N 0.94 0.00 -2.94 1.64 3.38 -0.03 -3.20 115.31 115.10 1ngj h LEU 305 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ngj h LEU 305 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ngj h LEU 305 CO -0.01 0.27 0.00 0.59 0.09 0.00 0.00 178.44 179.38 1ngj n ASN 306 N -3.53 2.55 -0.31 -0.43 4.13 -1.00 -4.84 115.26 111.84 1ngj n ASN 306 Ca -0.00 -2.05 -0.02 0.00 1.68 0.00 0.00 54.58 54.19 1ngj n ASN 306 Cb 0.42 -0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.55 1ngj n ASN 306 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ngj h ALA 307 N 1.14 0.17 -0.53 5.41 0.00 -0.97 0.10 119.26 124.57 1ngj h ALA 307 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ngj h ALA 307 Cb 0.66 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1ngj h ALA 307 CO 0.01 -0.60 0.16 0.38 0.00 0.00 0.00 179.25 179.20 1ngj h ASP 308 N -0.06 0.73 -0.03 0.00 2.03 -1.88 -1.38 116.42 115.83 1ngj h ASP 308 Ca 0.32 -0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 56.50 1ngj h ASP 308 Cb 0.59 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1ngj h ASP 308 CO -0.86 0.69 -0.03 -0.07 -1.03 0.00 0.00 179.24 177.94 1ngj h LEU 309 N 0.77 0.07 -0.02 0.15 4.07 -1.45 -1.21 115.31 117.69 1ngj h LEU 309 Ca 0.18 -0.49 0.02 0.00 0.08 0.00 0.00 57.88 57.66 1ngj h LEU 309 Cb 0.23 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1ngj h LEU 309 CO -0.01 0.55 -0.07 -0.26 -1.08 0.00 0.00 178.44 177.58 1ngj h PHE 310 N -0.40 -0.17 -0.87 1.13 0.04 -0.99 -2.75 116.94 112.93 1ngj h PHE 310 Ca 0.00 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1ngj h PHE 310 Cb 0.53 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 1ngj h PHE 310 CO 0.09 -0.10 0.57 -0.09 -0.60 0.00 0.00 178.31 178.18 1ngj h ARG 311 N -0.11 1.16 0.00 1.51 2.43 -1.29 -1.65 114.38 116.43 1ngj h ARG 311 Ca 0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ngj h ARG 311 Cb 0.15 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1ngj h ARG 311 CO -0.08 0.77 0.00 0.78 -1.51 0.00 0.00 179.97 179.93 1ngj h GLY 312 N 1.19 0.00 1.79 2.80 0.00 -0.93 -2.12 103.07 105.79 1ngj h GLY 312 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.67 1ngj h GLY 312 CO -0.07 0.00 0.08 -0.84 0.00 0.00 0.00 176.54 175.71 1ngj h THR 313 N 0.00 0.62 0.00 4.70 2.02 -1.10 -2.30 112.91 116.86 1ngj h THR 313 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1ngj h THR 313 Cb 0.08 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1ngj h THR 313 CO 0.00 0.00 -0.28 -0.07 0.37 0.00 0.00 175.52 175.54 1ngj h LEU 314 N 0.00 0.00 0.11 2.58 3.38 -1.56 -3.32 115.31 116.49 1ngj h LEU 314 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ngj h LEU 314 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ngj h LEU 314 CO -0.00 0.28 -0.13 0.44 0.09 0.00 0.00 178.44 179.12 1ngj h ASP 315 N 0.00 -0.35 0.26 -0.43 3.32 -1.61 -0.90 116.42 116.72 1ngj h ASP 315 Ca -0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1ngj h ASP 315 Cb 1.06 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ngj h ASP 315 CO 0.04 -0.20 -0.11 -0.65 -1.72 0.00 0.00 179.24 176.60 1ngj h PRO 316 N -0.28 0.00 -0.16 3.56 0.11 -1.73 -2.08 132.00 131.42 1ngj h PRO 316 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1ngj h PRO 316 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1ngj h PRO 316 CO -0.05 0.11 -0.06 0.28 -0.21 0.00 0.00 178.00 178.08 1ngj h VAL 317 N 0.00 1.30 -0.34 3.15 2.07 -1.48 -1.73 116.25 119.22 1ngj h VAL 317 Ca -0.00 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1ngj h VAL 317 Cb 0.28 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1ngj h VAL 317 CO 0.01 0.31 0.14 -0.33 0.02 0.00 0.00 177.57 177.73 1ngj h GLU 318 N 0.02 0.29 -0.62 1.57 5.08 -0.76 -2.15 114.58 118.00 1ngj h GLU 318 Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ngj h GLU 318 Cb 0.51 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1ngj h GLU 318 CO 0.02 0.19 0.36 -0.22 -1.00 0.00 0.00 179.01 178.36 1ngj h LYS 319 N 0.30 0.86 -0.61 2.33 3.64 -1.36 -2.07 116.57 119.67 1ngj h LYS 319 Ca 0.15 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1ngj h LYS 319 Cb 0.10 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1ngj h LYS 319 CO -0.13 0.63 0.32 0.00 -2.27 0.00 0.00 179.45 178.00 1ngj h ALA 320 N 1.18 0.80 0.45 5.00 0.00 -1.00 -0.35 119.26 125.34 1ngj h ALA 320 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ngj h ALA 320 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ngj h ALA 320 CO -0.04 -0.02 -0.28 -0.07 0.00 0.00 0.00 179.25 178.84 1ngj h LEU 321 N 0.60 -0.71 -1.20 0.00 -0.00 -1.01 -0.69 115.31 112.30 1ngj h LEU 321 Ca 0.27 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 1ngj h LEU 321 Cb 0.19 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1ngj h LEU 321 CO -0.19 -0.44 0.41 0.08 -0.00 0.00 0.00 178.44 178.30 1ngj h ARG 322 N -0.70 0.96 -0.42 1.13 0.11 -1.08 0.81 114.38 115.19 1ngj h ARG 322 Ca -0.05 -0.09 -0.12 0.00 0.10 0.00 0.00 59.98 59.82 1ngj h ARG 322 Cb 0.57 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1ngj h ARG 322 CO 0.05 0.68 -0.20 -0.44 0.10 0.00 0.00 179.97 180.16 1ngj h ASP 323 N 0.98 0.90 0.65 0.08 3.32 -0.97 -2.42 116.42 118.96 1ngj h ASP 323 Ca 0.25 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ngj h ASP 323 Cb -0.02 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1ngj h ASP 323 CO -0.05 1.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.58 1ngj n ALA 324 N -2.49 2.05 -3.35 3.45 0.00 -0.27 -4.90 120.51 115.00 1ngj n ALA 324 Ca -0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1ngj n ALA 324 Cb 0.44 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.60 1ngj n ALA 324 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ngj n LYS 325 N -1.43 -6.30 -4.39 0.00 4.76 0.20 -5.01 118.16 105.99 1ngj n LYS 325 Ca 0.07 0.68 -0.20 0.00 -2.87 0.00 0.00 58.31 55.99 1ngj n LYS 325 Cb 0.23 -5.27 -0.10 0.00 -1.84 0.00 0.00 35.03 28.05 1ngj n LYS 325 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ngj s LEU 326 N -6.03 2.49 0.26 -0.35 1.43 -0.71 -5.02 118.68 110.74 1ngj s LEU 326 Ca 0.37 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1ngj s LEU 326 Cb -0.16 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1ngj s LEU 326 CO 0.60 -0.29 0.09 -0.62 0.23 0.00 0.00 176.35 176.36 1ngj s ASP 327 N -3.39 5.00 0.28 2.29 2.15 -1.26 -4.37 116.67 117.37 1ngj s ASP 327 Ca 0.27 -0.46 0.03 0.00 0.43 0.00 0.00 52.55 52.82 1ngj s ASP 327 Cb 0.02 -1.11 0.69 0.00 -0.30 0.00 0.00 42.92 42.22 1ngj s ASP 327 CO 0.10 -0.02 1.71 0.11 -0.17 0.00 0.00 175.17 176.90 1ngj h LYS 328 N 1.72 0.43 0.00 4.34 1.57 -1.97 0.35 116.57 123.00 1ngj h LYS 328 Ca -0.46 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1ngj h LYS 328 Cb 1.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ngj h LYS 328 CO 0.60 0.28 -0.04 0.66 -0.57 0.00 0.00 179.45 180.39 1ngj h SER 329 N 0.44 0.00 1.11 0.86 4.64 -1.97 -2.90 113.55 115.73 1ngj h SER 329 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ngj h SER 329 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ngj h SER 329 CO -0.49 0.04 -0.26 0.00 -0.87 0.00 0.00 176.83 175.25 1ngj n GLN 330 N -3.35 0.21 -2.86 4.77 6.02 0.11 -4.79 117.38 117.49 1ngj n GLN 330 Ca -0.02 0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.68 1ngj n GLN 330 Cb 0.18 -1.69 -0.04 0.00 1.02 0.00 0.00 30.24 29.71 1ngj n GLN 330 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1ngj s ILE 331 N -3.10 4.87 -0.00 5.09 -5.25 -1.10 -4.58 121.20 117.14 1ngj s ILE 331 Ca 0.10 1.70 -0.15 0.00 -0.99 0.00 0.00 60.65 61.31 1ngj s ILE 331 Cb 0.14 -4.17 -0.34 0.00 2.95 0.00 0.00 42.46 41.04 1ngj s ILE 331 CO 0.64 0.04 0.89 0.45 -1.79 0.00 0.00 174.94 175.17 1ngj h HIS 332 N 7.23 0.88 -3.92 1.37 3.86 -1.16 -3.48 115.15 119.93 1ngj h HIS 332 Ca -0.31 -0.64 -0.31 0.00 -1.16 0.00 0.00 60.37 57.95 1ngj h HIS 332 Cb 1.14 -0.04 -0.26 0.00 1.06 0.00 0.00 27.41 29.31 1ngj h HIS 332 CO 0.71 1.58 -0.75 -0.51 0.86 0.00 0.00 177.93 179.82 1ngj s ASP 333 N -7.46 0.68 -0.19 2.45 1.01 -1.03 -5.04 116.67 107.09 1ngj s ASP 333 Ca -0.12 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 52.93 1ngj s ASP 333 Cb 0.04 -0.04 0.03 0.00 1.01 0.00 0.00 42.92 43.97 1ngj s ASP 333 CO 0.91 -0.01 -0.14 -0.63 0.21 0.00 0.00 175.17 175.51 1ngj s ILE 334 N -0.49 1.76 -0.10 0.77 1.01 -1.26 -0.23 121.20 122.67 1ngj s ILE 334 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1ngj s ILE 334 Cb -0.04 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1ngj s ILE 334 CO -0.00 0.31 -0.15 0.68 0.00 0.00 0.00 174.94 175.78 1ngj s VAL 335 N 1.37 2.87 -0.06 2.92 -7.23 -0.36 -0.84 120.40 119.06 1ngj s VAL 335 Ca 0.01 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.21 1ngj s VAL 335 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1ngj s VAL 335 CO -0.10 0.55 0.67 -0.76 -0.31 0.00 0.00 175.10 175.15 1ngj s LEU 336 N 0.09 4.33 0.07 1.32 1.43 -0.74 -2.01 118.68 123.16 1ngj s LEU 336 Ca -0.07 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.23 1ngj s LEU 336 Cb -0.15 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1ngj s LEU 336 CO 0.05 -0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.73 1ngj s VAL 337 N 0.65 1.00 0.00 -1.59 1.01 -0.14 -4.52 120.40 116.81 1ngj s VAL 337 Ca 0.36 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1ngj s VAL 337 Cb -0.18 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ngj s VAL 337 CO 0.17 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1ngj n GLY 338 N 1.26 1.16 0.28 4.51 0.00 -0.19 -1.85 105.19 110.35 1ngj n GLY 338 Ca -0.21 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.42 1ngj n GLY 338 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ngj h GLY 339 N 0.00 0.00 2.00 -0.02 0.00 -1.81 -2.26 103.07 100.98 1ngj h GLY 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ngj h GLY 339 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.30 1ngj h SER 340 N 0.00 0.00 0.42 0.19 0.02 -1.50 -3.12 113.55 109.56 1ngj h SER 340 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ngj h SER 340 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ngj h SER 340 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 1ngj n THR 341 N -2.53 0.67 0.57 -2.27 -2.24 -0.85 -2.15 114.28 105.48 1ngj n THR 341 Ca 0.03 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1ngj n THR 341 Cb 0.34 -0.89 0.45 0.00 -2.10 0.00 0.00 70.33 68.14 1ngj n THR 341 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ngj n ARG 342 N -1.38 0.16 -2.12 -0.78 1.74 -1.18 -4.57 116.66 108.52 1ngj n ARG 342 Ca 0.06 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 1ngj n ARG 342 Cb 0.16 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 1ngj n ARG 342 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ngj s ILE 343 N -3.16 3.72 0.22 0.55 1.01 -0.91 -4.84 121.20 117.78 1ngj s ILE 343 Ca 0.08 0.93 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 1ngj s ILE 343 Cb 0.12 -3.60 0.20 0.00 0.01 0.00 0.00 42.46 39.18 1ngj s ILE 343 CO 0.45 -0.06 1.67 -0.65 0.00 0.00 0.00 174.94 176.35 1ngj h PRO 344 N 8.91 0.14 -0.39 2.79 0.11 -1.85 -1.91 132.00 139.81 1ngj h PRO 344 Ca -0.37 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1ngj h PRO 344 Cb 1.16 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ngj h PRO 344 CO 0.95 0.10 0.22 -0.22 -0.21 0.00 0.00 178.00 178.83 1ngj h LYS 345 N 0.15 0.52 -0.33 1.05 1.63 -1.96 -0.06 116.57 117.56 1ngj h LYS 345 Ca 0.33 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.93 1ngj h LYS 345 Cb 0.53 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1ngj h LYS 345 CO -0.51 0.38 -0.41 0.82 -3.45 0.00 0.00 179.45 176.29 1ngj h ILE 346 N 0.53 1.28 -0.44 2.00 1.08 -1.71 -1.64 117.51 118.61 1ngj h ILE 346 Ca 0.14 -1.58 -0.07 0.00 -0.39 0.00 0.00 64.86 62.96 1ngj h ILE 346 Cb 0.01 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 1ngj h ILE 346 CO -0.02 0.52 0.01 1.56 -0.69 0.00 0.00 178.15 179.53 1ngj h GLN 347 N 0.67 0.77 0.32 2.37 4.20 -0.86 -2.23 115.11 120.35 1ngj h GLN 347 Ca 0.05 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1ngj h GLN 347 Cb 0.98 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1ngj h GLN 347 CO 0.09 0.83 -0.16 -0.22 -0.67 0.00 0.00 178.83 178.71 1ngj h LYS 348 N 0.62 -0.42 -0.87 1.46 3.64 -0.99 -1.96 116.57 118.06 1ngj h LYS 348 Ca 0.13 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.69 1ngj h LYS 348 Cb 0.47 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1ngj h LYS 348 CO 0.02 -0.23 0.45 1.25 -2.27 0.00 0.00 179.45 178.67 1ngj h LEU 349 N -0.51 0.54 -0.14 5.20 5.85 -1.27 0.16 115.31 125.14 1ngj h LEU 349 Ca -0.04 0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 1ngj h LEU 349 Cb 0.38 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ngj h LEU 349 CO 0.07 0.21 -0.88 0.25 -0.34 0.00 0.00 178.44 177.76 1ngj h LEU 350 N 0.62 0.85 -0.33 2.25 6.46 -1.32 -2.55 115.31 121.30 1ngj h LEU 350 Ca 0.48 -0.61 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1ngj h LEU 350 Cb 0.70 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1ngj h LEU 350 CO -0.37 1.40 -0.02 -0.61 -0.62 0.00 0.00 178.44 178.22 1ngj h GLN 351 N 0.44 0.58 -0.64 1.25 4.15 -0.54 -1.52 115.11 118.83 1ngj h GLN 351 Ca -0.08 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.18 1ngj h GLN 351 Cb 1.51 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.11 1ngj h GLN 351 CO 0.17 0.73 0.39 -0.44 -1.93 0.00 0.00 178.83 177.75 1ngj h ASP 352 N 0.38 0.64 -0.91 -0.69 5.19 -0.77 0.58 116.42 120.84 1ngj h ASP 352 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1ngj h ASP 352 Cb 0.47 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 1ngj h ASP 352 CO 0.02 0.44 0.57 0.15 -3.12 0.00 0.00 179.24 177.30 1ngj h PHE 353 N 0.77 1.17 -0.66 4.55 3.57 -1.24 -1.39 116.94 123.71 1ngj h PHE 353 Ca 0.26 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.46 1ngj h PHE 353 Cb 0.04 -0.39 -0.19 0.00 2.79 0.00 0.00 35.95 38.20 1ngj h PHE 353 CO -0.05 0.76 0.40 1.19 -2.23 0.00 0.00 178.31 178.38 1ngj n PHE 354 N -4.37 2.07 -4.01 0.41 3.72 -0.59 -4.92 117.46 109.76 1ngj n PHE 354 Ca 0.10 -1.32 -0.27 0.00 -0.05 0.00 0.00 57.45 55.91 1ngj n PHE 354 Cb 0.04 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 1ngj n PHE 354 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ngj n ASN 355 N -0.51 -0.50 0.00 4.37 5.03 -0.52 -1.92 115.26 121.21 1ngj n ASN 355 Ca 0.39 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.77 1ngj n ASN 355 Cb 1.27 -2.75 0.00 0.00 -1.02 0.00 0.00 39.78 37.28 1ngj n ASN 355 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ngj n GLY 356 N -2.09 0.96 3.62 7.41 0.00 0.10 -5.01 105.19 110.18 1ngj n GLY 356 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1ngj n GLY 356 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ngj n LYS 357 N -2.00 1.29 -2.42 1.61 4.81 -0.81 -4.91 118.16 115.73 1ngj n LYS 357 Ca 0.00 0.47 -0.41 0.00 -0.87 0.00 0.00 58.31 57.50 1ngj n LYS 357 Cb 0.00 -2.11 -0.04 0.00 0.02 0.00 0.00 35.03 32.90 1ngj n LYS 357 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1ngj s GLU 358 N -2.23 4.57 -0.11 1.64 8.01 -1.26 -4.83 118.70 124.48 1ngj s GLU 358 Ca 0.66 1.86 -0.10 0.00 0.01 0.00 0.00 54.97 57.40 1ngj s GLU 358 Cb -0.51 -3.20 -0.05 0.00 -4.31 0.00 0.00 34.13 26.07 1ngj s GLU 358 CO 0.54 0.08 0.21 -0.51 0.01 0.00 0.00 175.26 175.59 1ngj s LEU 359 N -1.04 4.37 -0.39 1.80 1.02 -1.26 -4.63 118.68 118.55 1ngj s LEU 359 Ca 0.48 0.54 -0.26 0.00 0.02 0.00 0.00 54.13 54.90 1ngj s LEU 359 Cb -0.33 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.70 1ngj s LEU 359 CO 0.40 0.33 0.96 0.20 0.02 0.00 0.00 176.35 178.27 1ngj s ASN 360 N -0.70 6.67 0.00 2.29 0.01 -0.02 -4.81 114.94 118.37 1ngj s ASN 360 Ca 0.16 0.54 0.05 0.00 -0.71 0.00 0.00 52.86 52.90 1ngj s ASN 360 Cb -0.13 -2.48 0.08 0.00 0.41 0.00 0.00 41.25 39.13 1ngj s ASN 360 CO 0.05 -0.93 0.93 2.29 -1.51 0.00 0.00 177.10 177.92 1ngj n LYS 361 N 6.97 0.00 0.18 -0.60 2.85 -1.26 -1.79 118.16 124.50 1ngj n LYS 361 Ca 0.08 -0.97 0.06 0.00 -1.05 0.00 0.00 58.31 56.43 1ngj n LYS 361 Cb 0.48 0.24 0.26 0.00 -0.65 0.00 0.00 35.03 35.36 1ngj n LYS 361 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ngj h SER 362 N 0.18 0.00 -3.16 -5.58 4.64 -1.97 -3.43 113.55 104.24 1ngj h SER 362 Ca -0.35 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.37 1ngj h SER 362 Cb 1.41 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.42 1ngj h SER 362 CO -0.14 0.36 -0.31 -0.63 -0.87 0.00 0.00 176.83 175.24 1ngj s ILE 363 N -3.39 5.26 -0.20 0.95 1.01 -1.26 -5.01 121.20 118.57 1ngj s ILE 363 Ca 0.02 0.59 -0.39 0.00 0.00 0.00 0.00 60.65 60.87 1ngj s ILE 363 Cb 0.09 -3.63 -0.16 0.00 0.01 0.00 0.00 42.46 38.77 1ngj s ILE 363 CO 0.69 0.45 1.67 0.59 0.00 0.00 0.00 174.94 178.34 1ngj n ASN 364 N 3.02 2.29 -0.17 3.58 3.02 -1.26 -4.80 115.26 120.93 1ngj n ASN 364 Ca -0.13 1.08 0.20 0.00 -0.03 0.00 0.00 54.58 55.70 1ngj n ASN 364 Cb 0.52 -1.16 0.57 0.00 -0.61 0.00 0.00 39.78 39.11 1ngj n ASN 364 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ngj h PRO 365 N 6.77 0.27 -0.00 3.52 0.11 -1.84 0.03 132.00 140.85 1ngj h PRO 365 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ngj h PRO 365 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ngj h PRO 365 CO 0.92 0.18 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.47 1ngj n ASP 366 N -4.44 0.28 -0.03 -2.05 5.75 -1.26 -1.02 116.55 113.78 1ngj n ASP 366 Ca 0.16 -0.78 0.02 0.00 -0.01 0.00 0.00 54.79 54.18 1ngj n ASP 366 Cb 0.67 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.67 1ngj n ASP 366 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ngj n GLU 367 N -0.92 4.59 -0.15 0.11 1.02 -0.08 -4.76 120.64 120.45 1ngj n GLU 367 Ca 0.19 -0.15 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1ngj n GLU 367 Cb 0.20 -0.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 1ngj n GLU 367 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ngj h ALA 368 N 0.56 0.56 -0.26 0.62 0.00 -1.36 0.40 119.26 119.78 1ngj h ALA 368 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ngj h ALA 368 Cb 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ngj h ALA 368 CO 0.00 -0.26 0.07 0.28 0.00 0.00 0.00 179.25 179.34 1ngj h VAL 369 N 0.30 1.20 -0.87 0.00 2.07 -1.85 -1.73 116.25 115.37 1ngj h VAL 369 Ca 0.23 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1ngj h VAL 369 Cb 0.26 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1ngj h VAL 369 CO -0.26 0.22 0.45 0.00 0.02 0.00 0.00 177.57 178.00 1ngj h ALA 370 N 0.90 1.12 0.01 1.67 0.00 -1.79 -1.40 119.26 119.76 1ngj h ALA 370 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ngj h ALA 370 Cb 0.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ngj h ALA 370 CO -0.00 0.66 -0.14 -0.92 0.00 0.00 0.00 179.25 178.85 1ngj h TYR 371 N 1.24 -0.36 -0.79 0.00 5.03 -0.75 -0.53 116.97 120.81 1ngj h TYR 371 Ca 0.30 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.58 1ngj h TYR 371 Cb 0.08 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 1ngj h TYR 371 CO 0.01 -0.21 0.32 0.78 -1.32 0.00 0.00 178.16 177.74 1ngj h GLY 372 N -0.24 1.27 1.17 1.82 0.00 -0.96 -2.54 103.07 103.59 1ngj h GLY 372 Ca 0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 1ngj h GLY 372 CO -0.13 0.65 0.16 0.00 0.00 0.00 0.00 176.54 177.21 1ngj h ALA 373 N 1.19 1.05 -0.39 3.60 0.00 -0.96 -1.13 119.26 122.61 1ngj h ALA 373 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ngj h ALA 373 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ngj h ALA 373 CO -0.02 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.06 1ngj h ALA 374 N 1.19 0.50 -0.19 0.00 0.00 -0.81 0.26 119.26 120.20 1ngj h ALA 374 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ngj h ALA 374 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ngj h ALA 374 CO 0.00 0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.70 1ngj h VAL 375 N 0.50 1.09 -0.41 0.00 2.07 -1.20 -1.61 116.25 116.69 1ngj h VAL 375 Ca 0.14 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1ngj h VAL 375 Cb 0.09 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ngj h VAL 375 CO -0.02 0.08 0.21 -0.61 0.02 0.00 0.00 177.57 177.25 1ngj h GLN 376 N 0.23 0.57 -0.24 1.57 5.75 -0.86 -2.10 115.11 120.03 1ngj h GLN 376 Ca 0.07 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1ngj h GLN 376 Cb 0.03 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1ngj h GLN 376 CO -0.01 0.44 0.03 0.00 -2.65 0.00 0.00 178.83 176.64 1ngj h ALA 377 N 1.65 0.31 -0.51 3.38 0.00 0.01 -2.56 119.26 121.54 1ngj h ALA 377 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ngj h ALA 377 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ngj h ALA 377 CO -0.02 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.51 1ngj h ALA 378 N 0.84 0.66 -0.54 0.00 0.00 -0.67 -1.24 119.26 118.30 1ngj h ALA 378 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ngj h ALA 378 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ngj h ALA 378 CO 0.01 -0.05 0.14 -0.84 0.00 0.00 0.00 179.25 178.50 1ngj h ILE 379 N 0.54 1.24 0.00 0.00 3.07 -1.37 0.05 117.51 121.04 1ngj h ILE 379 Ca 0.22 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1ngj h ILE 379 Cb 0.10 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1ngj h ILE 379 CO -0.14 0.31 0.00 -0.07 -1.05 0.00 0.00 178.15 177.21 1ngj h LEU 380 N 0.76 0.00 -1.64 0.16 4.07 -1.01 -1.79 115.31 115.86 1ngj h LEU 380 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1ngj h LEU 380 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1ngj h LEU 380 CO -0.00 0.00 -0.03 -1.20 -1.08 0.00 0.00 178.44 176.13 1ngj n SER 381 N -2.43 2.44 0.00 -0.43 7.64 -0.51 -4.96 113.62 115.37 1ngj n SER 381 Ca 0.01 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1ngj n SER 381 Cb 0.19 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1ngj n SER 381 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngj n GLY 382 N 1.04 0.58 0.17 0.23 0.00 -0.67 -4.84 105.19 101.70 1ngj n GLY 382 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1ngj n GLY 382 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ngj h ASP 383 N 0.00 0.00 0.00 1.61 3.32 -1.25 -3.49 116.42 116.61 1ngj h ASP 383 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ngj h ASP 383 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ngj h ASP 383 CO 0.00 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.69