#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i99 s THR 10 N 0.00 4.20 0.00 4.28 -4.23 -1.26 -5.01 115.64 113.62 3i99 s THR 10 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 3i99 s THR 10 Cb 0.00 -4.99 0.00 0.00 1.34 0.00 0.00 72.50 68.85 3i99 s THR 10 CO 0.00 -1.82 0.00 1.67 -0.54 0.00 0.00 174.62 173.93 3i99 n GLN 12 N 8.09 0.00 -2.39 3.99 7.27 -1.26 -5.14 117.38 127.94 3i99 n GLN 12 Ca 0.32 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.97 3i99 n GLN 12 Cb 0.50 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.12 3i99 n GLN 12 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3i99 s ILE 13 N 0.00 4.09 -0.21 1.69 -1.09 -1.26 -4.58 121.20 119.85 3i99 s ILE 13 Ca 0.00 1.44 -0.20 0.00 -2.23 0.00 0.00 60.65 59.66 3i99 s ILE 13 Cb 0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3i99 s ILE 13 CO 0.00 0.01 0.62 -1.10 -1.23 0.00 0.00 174.94 173.23 3i99 s GLN 14 N 2.17 4.19 0.03 2.79 -1.52 0.30 -4.92 119.66 122.71 3i99 s GLN 14 Ca 0.58 0.58 -0.10 0.00 -1.95 0.00 0.00 55.36 54.47 3i99 s GLN 14 Cb -0.27 -3.59 -0.05 0.00 -0.22 0.00 0.00 33.01 28.88 3i99 s GLN 14 CO 0.24 -0.26 0.35 -0.51 -0.25 0.00 0.00 175.29 174.86 3i99 s LEU 15 N 1.98 4.39 -1.45 2.90 1.43 -1.26 0.10 118.68 126.77 3i99 s LEU 15 Ca 0.28 0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 3i99 s LEU 15 Cb -0.16 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.38 3i99 s LEU 15 CO 0.10 0.25 0.93 0.61 0.23 0.00 0.00 176.35 178.47 3i99 n GLY 16 N 1.26 -0.44 3.72 -3.19 0.00 -0.75 -4.93 105.19 100.86 3i99 n GLY 16 Ca -0.11 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3i99 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i99 s ALA 17 N -3.40 3.43 0.30 4.61 0.00 -0.87 -4.76 121.76 121.07 3i99 s ALA 17 Ca 0.46 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 3i99 s ALA 17 Cb -0.23 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 3i99 s ALA 17 CO 0.81 -0.43 1.20 1.21 0.00 0.00 0.00 175.76 178.55 3i99 s ASN 18 N 0.74 7.03 0.00 0.00 3.84 -1.26 -0.99 114.94 124.29 3i99 s ASN 18 Ca 0.57 2.46 0.24 0.00 0.21 0.00 0.00 52.86 56.35 3i99 s ASN 18 Cb -0.31 -2.64 0.39 0.00 -0.55 0.00 0.00 41.25 38.14 3i99 s ASN 18 CO 0.32 -0.33 1.33 0.18 -2.79 0.00 0.00 177.10 175.81 3i99 n LEU 19 N 1.06 1.01 -0.25 3.21 4.77 0.22 -4.52 117.00 122.50 3i99 n LEU 19 Ca -0.00 -0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 3i99 n LEU 19 Cb 0.43 -0.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3i99 n LEU 19 CO 0.56 0.21 1.12 0.11 -1.33 0.00 0.00 177.39 178.07 3i99 h LYS 20 N 0.82 0.75 0.00 3.23 1.57 -1.78 0.15 116.57 121.32 3i99 h LYS 20 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i99 h LYS 20 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3i99 h LYS 20 CO 0.00 0.50 0.00 -2.30 -0.57 0.00 0.00 179.45 177.08 3i99 n PRO 21 N -4.73 0.06 0.00 3.15 -0.02 -1.26 -3.32 135.00 128.87 3i99 n PRO 21 Ca 0.09 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 3i99 n PRO 21 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3i99 n PRO 21 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i99 n TYR 22 N -1.41 0.00 -3.85 6.00 4.01 0.49 -4.99 117.16 117.41 3i99 n TYR 22 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 3i99 n TYR 22 Cb 0.09 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.03 3i99 n TYR 22 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3i99 s HIS 23 N -1.19 0.04 -0.43 -0.72 -3.43 -1.07 -3.32 115.29 105.16 3i99 s HIS 23 Ca 0.07 -0.19 0.25 0.00 -0.80 0.00 0.00 55.06 54.40 3i99 s HIS 23 Cb 0.07 -0.03 0.56 0.00 -1.43 0.00 0.00 32.58 31.75 3i99 s HIS 23 CO 0.21 -0.37 1.69 1.79 -2.00 0.00 0.00 174.74 176.05 3i99 h THR 24 N 3.79 0.00 0.00 -5.38 1.35 -1.41 -2.40 112.91 108.86 3i99 h THR 24 Ca -0.31 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 3i99 h THR 24 Cb 1.19 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3i99 h THR 24 CO 0.45 0.00 -0.09 -0.26 -0.25 0.00 0.00 175.52 175.37 3i99 h PHE 25 N 0.00 0.00 -4.17 4.73 -1.00 -1.75 -1.88 116.94 112.87 3i99 h PHE 25 Ca 0.00 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 3i99 h PHE 25 Cb 0.88 0.00 0.06 0.00 3.61 0.00 0.00 35.95 40.50 3i99 h PHE 25 CO 0.00 0.09 -0.55 0.41 -1.61 0.00 0.00 178.31 176.65 3i99 n GLY 26 N -1.10 -0.39 3.78 -1.45 0.00 -0.90 -4.33 105.19 100.80 3i99 n GLY 26 Ca -0.03 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3i99 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i99 s ILE 27 N -3.13 4.63 0.06 -0.61 1.01 -1.26 -4.91 121.20 116.98 3i99 s ILE 27 Ca 0.30 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 3i99 s ILE 27 Cb -0.13 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3i99 s ILE 27 CO 0.37 0.49 1.95 1.21 0.00 0.00 0.00 174.94 178.96 3i99 n GLU 28 N 2.00 2.88 -3.60 2.79 4.07 -1.26 -4.32 120.64 123.19 3i99 n GLU 28 Ca -0.07 1.05 -0.04 0.00 -0.06 0.00 0.00 57.16 58.04 3i99 n GLU 28 Cb 0.50 -3.00 -0.02 0.00 -0.06 0.00 0.00 31.44 28.86 3i99 n GLU 28 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 3i99 s GLN 29 N 4.06 0.26 0.17 5.31 2.00 -1.26 -5.00 119.66 125.20 3i99 s GLN 29 Ca 0.87 -0.09 -0.00 0.00 -2.00 0.00 0.00 55.36 54.14 3i99 s GLN 29 Cb -0.44 0.12 -0.04 0.00 0.80 0.00 0.00 33.01 33.45 3i99 s GLN 29 CO 0.41 -0.11 0.06 -0.48 -0.50 0.00 0.00 175.29 174.66 3i99 s LEU 30 N -2.10 1.74 -0.09 3.68 0.05 -1.26 -0.61 118.68 120.08 3i99 s LEU 30 Ca 0.10 -1.25 0.03 0.00 0.05 0.00 0.00 54.13 53.06 3i99 s LEU 30 Cb -0.01 0.20 -0.01 0.00 -2.05 0.00 0.00 46.19 44.32 3i99 s LEU 30 CO -0.04 -0.71 -0.20 0.00 -0.55 0.00 0.00 176.35 174.85 3i99 s ALA 31 N -3.95 2.36 0.30 1.48 0.00 -0.16 -1.05 121.76 120.74 3i99 s ALA 31 Ca 0.28 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.33 3i99 s ALA 31 Cb 0.07 -0.91 0.80 0.00 0.00 0.00 0.00 23.12 23.08 3i99 s ALA 31 CO 0.05 0.35 1.68 0.00 0.00 0.00 0.00 175.76 177.84 3i99 h ALA 32 N 6.36 1.50 -2.64 0.00 0.00 0.45 -2.25 119.26 122.69 3i99 h ALA 32 Ca -0.28 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3i99 h ALA 32 Cb 1.20 0.19 -0.22 0.00 0.00 0.00 0.00 17.79 18.96 3i99 h ALA 32 CO 0.50 -0.41 -0.26 -1.14 0.00 0.00 0.00 179.25 177.94 3i99 s GLN 33 N -5.85 0.58 -0.08 0.00 0.74 -1.10 -1.81 119.66 112.14 3i99 s GLN 33 Ca -0.11 0.15 -0.13 0.00 0.05 0.00 0.00 55.36 55.31 3i99 s GLN 33 Cb 0.26 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.67 3i99 s GLN 33 CO 0.78 -0.13 0.32 -1.17 -0.55 0.00 0.00 175.29 174.54 3i99 s LEU 34 N -0.63 0.78 -0.05 3.68 0.20 0.12 -0.33 118.68 122.44 3i99 s LEU 34 Ca -0.07 0.44 -0.09 0.00 0.69 0.00 0.00 54.13 55.10 3i99 s LEU 34 Cb -0.04 1.19 0.02 0.00 -0.43 0.00 0.00 46.19 46.92 3i99 s LEU 34 CO 0.03 -0.24 0.22 0.54 -0.29 0.00 0.00 176.35 176.60 3i99 s VAL 35 N -0.40 0.03 -0.27 1.68 0.11 -0.32 0.11 120.40 121.34 3i99 s VAL 35 Ca -0.05 -0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 58.60 3i99 s VAL 35 Cb -0.03 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3i99 s VAL 35 CO 0.02 -0.15 0.27 -0.69 -3.33 0.00 0.00 175.10 171.23 3i99 s VAL 36 N -0.52 5.25 -0.02 2.04 1.01 -1.26 0.51 120.40 127.41 3i99 s VAL 36 Ca -0.06 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 3i99 s VAL 36 Cb -0.04 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3i99 s VAL 36 CO 0.01 0.22 0.25 0.00 0.00 0.00 0.00 175.10 175.58 3i99 s ALA 37 N 1.81 3.85 0.00 5.51 0.00 0.02 -4.82 121.76 128.13 3i99 s ALA 37 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3i99 s ALA 37 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3i99 s ALA 37 CO 0.10 0.63 0.03 0.39 0.00 0.00 0.00 175.76 176.91 3i99 n GLU 38 N 1.37 1.24 -3.80 0.00 1.02 -1.26 -0.43 120.64 118.79 3i99 n GLU 38 Ca -0.13 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 56.88 3i99 n GLU 38 Cb 0.53 -0.26 -0.06 0.00 -0.02 0.00 0.00 31.44 31.63 3i99 n GLU 38 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3i99 s SER 39 N -0.19 -0.02 0.23 1.62 1.04 -1.26 -4.29 113.70 110.83 3i99 s SER 39 Ca 0.00 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 3i99 s SER 39 Cb 0.00 0.41 0.42 0.00 0.10 0.00 0.00 66.02 66.94 3i99 s SER 39 CO 0.00 -0.81 1.70 0.40 0.98 0.00 0.00 173.24 175.51 3i99 h ILE 40 N 2.57 0.57 -0.93 -1.02 2.04 -1.98 -2.23 117.51 116.52 3i99 h ILE 40 Ca -0.33 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3i99 h ILE 40 Cb 1.22 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 3i99 h ILE 40 CO 0.51 0.05 0.62 0.44 0.00 0.00 0.00 178.15 179.77 3i99 h ASP 41 N 0.29 1.03 -0.45 1.72 3.32 -1.98 0.35 116.42 120.71 3i99 h ASP 41 Ca 0.39 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.44 3i99 h ASP 41 Cb 0.63 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3i99 h ASP 41 CO -0.47 0.72 0.27 0.44 -1.72 0.00 0.00 179.24 178.49 3i99 h ASP 42 N 1.21 0.44 -0.53 6.45 3.32 -1.81 0.11 116.42 125.61 3i99 h ASP 42 Ca 0.36 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 3i99 h ASP 42 Cb -0.04 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3i99 h ASP 42 CO -0.10 0.31 0.03 -0.07 -1.72 0.00 0.00 179.24 177.70 3i99 h LEU 43 N 0.54 0.92 -0.32 1.55 3.38 -0.96 0.23 115.31 120.66 3i99 h LEU 43 Ca 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3i99 h LEU 43 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3i99 h LEU 43 CO -0.08 0.96 0.16 0.11 0.09 0.00 0.00 178.44 179.69 3i99 h LYS 44 N 0.89 0.45 -0.63 1.13 1.57 -0.66 0.21 116.57 119.52 3i99 h LYS 44 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3i99 h LYS 44 Cb 0.48 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3i99 h LYS 44 CO 0.02 0.40 0.35 0.00 -0.57 0.00 0.00 179.45 179.65 3i99 h ALA 45 N 1.02 0.81 -0.49 3.86 0.00 -0.41 0.30 119.26 124.36 3i99 h ALA 45 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i99 h ALA 45 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i99 h ALA 45 CO -0.02 0.33 0.12 -0.07 0.00 0.00 0.00 179.25 179.61 3i99 h LEU 46 N 0.86 0.74 0.00 0.00 3.38 -0.15 -3.32 115.31 116.82 3i99 h LEU 46 Ca 0.22 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3i99 h LEU 46 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3i99 h LEU 46 CO -0.04 0.77 -2.02 -1.22 0.09 0.00 0.00 178.44 176.03 3i99 n TYR 47 N -4.48 0.00 -2.43 1.13 4.02 0.71 -4.65 117.16 111.46 3i99 n TYR 47 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.66 3i99 n TYR 47 Cb 0.22 -0.65 0.01 0.00 -0.02 0.00 0.00 39.34 38.90 3i99 n TYR 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i99 s SER 49 N -3.51 -0.05 0.51 0.00 1.04 -1.25 -4.79 113.70 105.65 3i99 s SER 49 Ca 0.46 -0.58 0.25 0.00 0.48 0.00 0.00 55.95 56.56 3i99 s SER 49 Cb 0.41 0.43 1.36 0.00 0.10 0.00 0.00 66.02 68.32 3i99 s SER 49 CO -0.12 -0.84 2.05 0.00 0.98 0.00 0.00 173.24 175.31 3i99 h ALA 50 N 2.52 1.34 -2.41 5.32 0.00 -1.95 -3.34 119.26 120.74 3i99 h ALA 50 Ca -0.33 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 3i99 h ALA 50 Cb 1.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i99 h ALA 50 CO 0.49 0.17 0.37 -2.00 0.00 0.00 0.00 179.25 178.29 3i99 s GLU 51 N -4.25 4.55 0.00 0.00 2.12 -1.26 -2.59 118.70 117.27 3i99 s GLU 51 Ca -0.03 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.71 3i99 s GLU 51 Cb 0.13 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3i99 s GLU 51 CO 0.60 -0.06 0.00 0.91 -0.54 0.00 0.00 175.26 176.17 3i99 n TRP 52 N 3.95 0.00 0.34 5.30 8.01 -1.26 -4.78 117.44 128.99 3i99 n TRP 52 Ca 0.06 0.00 0.23 0.00 -1.31 0.00 0.00 57.50 56.48 3i99 n TRP 52 Cb 0.51 -0.96 1.22 0.00 -2.01 0.00 0.00 31.31 30.06 3i99 n TRP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3i99 h ALA 53 N 0.00 1.02 -0.37 6.99 0.00 -1.62 -3.07 119.26 122.20 3i99 h ALA 53 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i99 h ALA 53 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i99 h ALA 53 CO 0.00 -0.01 -0.17 0.66 0.00 0.00 0.00 179.25 179.74 3i99 h SER 54 N 0.00 0.69 -2.92 0.00 4.64 -1.89 -3.45 113.55 110.62 3i99 h SER 54 Ca 0.00 -0.22 -0.63 0.00 -0.47 0.00 0.00 61.79 60.47 3i99 h SER 54 Cb 0.01 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 61.84 3i99 h SER 54 CO -0.00 0.87 -0.39 -0.76 -0.87 0.00 0.00 176.83 175.68 3i99 s LEU 55 N -8.91 4.36 0.71 5.97 1.43 -1.16 -5.07 118.68 116.02 3i99 s LEU 55 Ca -0.09 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 3i99 s LEU 55 Cb 0.14 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3i99 s LEU 55 CO 0.82 0.31 1.08 -2.65 0.23 0.00 0.00 176.35 176.13 3i99 n PRO 56 N 2.41 0.61 -4.55 1.29 -0.02 -1.26 -5.01 135.00 128.46 3i99 n PRO 56 Ca -0.17 0.27 -0.21 0.00 -2.02 0.00 0.00 63.50 61.37 3i99 n PRO 56 Cb 0.53 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3i99 n PRO 56 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i99 s LYS 57 N -3.44 1.03 -0.16 -0.52 1.02 -1.26 -4.58 119.74 111.83 3i99 s LYS 57 Ca 0.76 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.32 3i99 s LYS 57 Cb -0.35 -0.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 3i99 s LYS 57 CO 0.48 0.25 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.82 3i99 s LEU 58 N -0.22 1.85 -0.06 3.17 2.96 -1.26 -4.99 118.68 120.13 3i99 s LEU 58 Ca 0.04 -0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 3i99 s LEU 58 Cb -0.05 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3i99 s LEU 58 CO -0.00 -0.03 0.83 -0.51 -1.32 0.00 0.00 176.35 175.32 3i99 s ILE 59 N 1.36 4.95 0.10 6.68 1.10 -1.26 -0.20 121.20 133.93 3i99 s ILE 59 Ca 0.04 1.71 0.07 0.00 -0.51 0.00 0.00 60.65 61.95 3i99 s ILE 59 Cb -0.13 -4.16 -0.03 0.00 0.15 0.00 0.00 42.46 38.28 3i99 s ILE 59 CO -0.10 0.18 -0.17 0.27 -2.11 0.00 0.00 174.94 173.01 3i99 s ILE 60 N 1.10 1.45 0.00 2.00 -4.36 -0.11 -4.93 121.20 116.35 3i99 s ILE 60 Ca 0.43 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 3i99 s ILE 60 Cb -0.19 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.10 3i99 s ILE 60 CO 0.21 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3i99 n GLY 61 N 0.96 0.84 0.94 6.27 0.00 -1.26 -0.73 105.19 112.20 3i99 n GLY 61 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3i99 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i99 n LYS 62 N 0.00 2.17 -3.40 1.61 4.76 -1.26 -4.62 118.16 117.42 3i99 n LYS 62 Ca 0.00 -1.82 -0.24 0.00 -2.87 0.00 0.00 58.31 53.38 3i99 n LYS 62 Cb 0.00 -1.40 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 3i99 n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i99 n GLY 63 N 1.31 -0.48 0.84 0.72 0.00 -1.21 -3.92 105.19 102.44 3i99 n GLY 63 Ca 0.17 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3i99 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i99 n SER 64 N -2.30 2.50 -3.13 1.61 3.41 -1.26 -1.60 113.62 112.85 3i99 n SER 64 Ca -0.01 -1.85 -0.21 0.00 -0.26 0.00 0.00 58.87 56.53 3i99 n SER 64 Cb 0.54 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3i99 n SER 64 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i99 n ASN 65 N 0.87 1.90 -3.28 4.04 5.15 -1.26 -4.59 115.26 118.09 3i99 n ASN 65 Ca 0.17 -3.19 0.03 0.00 -0.60 0.00 0.00 54.58 51.00 3i99 n ASN 65 Cb 0.46 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 3i99 n ASN 65 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3i99 s LEU 67 N -2.61 -0.63 0.05 1.20 2.96 -0.15 -0.68 118.68 118.81 3i99 s LEU 67 Ca 0.42 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.64 3i99 s LEU 67 Cb 0.31 1.62 -0.04 0.00 0.50 0.00 0.00 46.19 48.57 3i99 s LEU 67 CO -0.10 -0.12 0.97 -0.36 -1.32 0.00 0.00 176.35 175.43 3i99 s PHE 68 N 2.68 3.73 -0.05 5.38 0.08 -1.26 -0.17 117.98 128.37 3i99 s PHE 68 Ca 0.01 1.74 0.01 0.00 0.12 0.00 0.00 56.93 58.82 3i99 s PHE 68 Cb -0.09 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 3i99 s PHE 68 CO -0.16 0.08 0.05 2.41 -0.10 0.00 0.00 175.22 177.50 3i99 n THR 69 N 3.39 0.00 -3.79 0.64 -1.04 -0.80 -4.64 114.28 108.04 3i99 n THR 69 Ca 0.04 -0.37 -0.05 0.00 -2.04 0.00 0.00 64.05 61.64 3i99 n THR 69 Cb 0.50 0.88 0.02 0.00 -1.82 0.00 0.00 70.33 69.91 3i99 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i99 n HIS 71 N -0.58 2.01 -2.92 0.00 -0.00 -1.26 -4.83 115.22 107.64 3i99 n HIS 71 Ca -0.04 0.49 -0.42 0.00 -0.00 0.00 0.00 57.72 57.75 3i99 n HIS 71 Cb 0.52 -2.47 -0.05 0.00 -0.00 0.00 0.00 29.99 28.00 3i99 n HIS 71 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3i99 s TYR 72 N 3.15 3.16 -2.69 4.41 5.04 -0.22 -4.49 117.35 125.71 3i99 s TYR 72 Ca 0.96 0.75 0.25 0.00 -2.44 0.00 0.00 57.07 56.58 3i99 s TYR 72 Cb -1.01 -3.34 0.53 0.00 0.35 0.00 0.00 41.96 38.48 3i99 s TYR 72 CO 0.61 -0.65 1.45 0.25 -1.34 0.00 0.00 175.55 175.87 3i99 n THR 73 N 5.68 0.12 0.00 4.34 -2.24 0.63 0.96 114.28 123.76 3i99 n THR 73 Ca 0.04 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3i99 n THR 73 Cb 0.48 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3i99 n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i99 n GLY 74 N 1.31 0.61 2.99 3.38 0.00 -1.20 -4.71 105.19 107.57 3i99 n GLY 74 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3i99 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i99 s ILE 76 N 0.42 -0.02 -0.24 -0.61 -1.09 0.55 -2.70 121.20 117.50 3i99 s ILE 76 Ca 0.00 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 3i99 s ILE 76 Cb 0.00 -0.22 0.03 0.00 -1.58 0.00 0.00 42.46 40.68 3i99 s ILE 76 CO 0.00 0.02 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.97 3i99 s VAL 77 N 0.45 2.77 -0.28 2.92 1.01 0.72 -1.18 120.40 126.81 3i99 s VAL 77 Ca -0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 3i99 s VAL 77 Cb -0.04 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3i99 s VAL 77 CO -0.02 0.22 0.38 -0.69 0.00 0.00 0.00 175.10 174.99 3i99 s VAL 78 N 1.31 5.17 -0.67 2.92 1.01 0.18 -0.93 120.40 129.39 3i99 s VAL 78 Ca 0.00 0.49 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 3i99 s VAL 78 Cb -0.16 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3i99 s VAL 78 CO -0.05 0.11 1.37 0.21 0.00 0.00 0.00 175.10 176.74 3i99 s ASN 79 N 1.66 6.07 -0.30 3.32 2.47 0.09 -0.80 114.94 127.46 3i99 s ASN 79 Ca 0.15 -0.15 0.09 0.00 0.42 0.00 0.00 52.86 53.36 3i99 s ASN 79 Cb -0.16 -2.55 0.46 0.00 -1.45 0.00 0.00 41.25 37.55 3i99 s ASN 79 CO 0.10 -1.85 1.17 0.54 -3.72 0.00 0.00 177.10 173.35 3i99 n ARG 80 N 9.12 3.33 -2.10 0.43 5.12 0.43 -4.42 116.66 128.58 3i99 n ARG 80 Ca 0.08 -4.09 -0.42 0.00 -1.93 0.00 0.00 57.85 51.48 3i99 n ARG 80 Cb 0.49 -2.18 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 3i99 n ARG 80 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i99 s LEU 81 N -3.62 4.29 0.14 0.55 1.02 -1.23 -4.46 118.68 115.37 3i99 s LEU 81 Ca 0.47 2.12 0.04 0.00 0.02 0.00 0.00 54.13 56.79 3i99 s LEU 81 Cb 0.40 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 3i99 s LEU 81 CO 0.02 -0.89 0.13 0.20 0.02 0.00 0.00 176.35 175.83 3i99 s ASN 82 N 3.02 5.56 0.00 2.29 0.02 -1.26 0.04 114.94 124.61 3i99 s ASN 82 Ca 0.69 -0.08 0.00 0.00 -1.02 0.00 0.00 52.86 52.45 3i99 s ASN 82 Cb -0.31 -1.48 0.00 0.00 0.02 0.00 0.00 41.25 39.48 3i99 s ASN 82 CO 0.26 0.10 0.00 0.61 0.02 0.00 0.00 177.10 178.09 3i99 n GLY 83 N -0.13 4.17 2.94 0.66 0.00 -1.26 -4.74 105.19 106.82 3i99 n GLY 83 Ca -0.08 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3i99 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i99 s ILE 84 N -0.35 1.27 0.07 -0.61 1.01 -1.26 -0.56 121.20 120.75 3i99 s ILE 84 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.12 3i99 s ILE 84 Cb 0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3i99 s ILE 84 CO 0.00 0.29 -0.04 -1.83 0.00 0.00 0.00 174.94 173.35 3i99 s GLU 85 N 1.59 2.45 -0.03 2.79 -1.05 0.49 -4.96 118.70 119.98 3i99 s GLU 85 Ca 0.03 -0.84 0.04 0.00 -0.15 0.00 0.00 54.97 54.05 3i99 s GLU 85 Cb -0.14 -2.48 -0.01 0.00 -0.44 0.00 0.00 34.13 31.07 3i99 s GLU 85 CO -0.09 0.55 -0.15 -1.58 0.95 0.00 0.00 175.26 174.95 3i99 s HIS 86 N -1.19 1.42 0.25 4.83 2.46 -1.26 -0.86 115.29 120.92 3i99 s HIS 86 Ca 0.22 -0.34 -0.11 0.00 0.47 0.00 0.00 55.06 55.30 3i99 s HIS 86 Cb -0.11 -0.94 -0.01 0.00 -0.13 0.00 0.00 32.58 31.38 3i99 s HIS 86 CO 0.14 -0.09 0.43 1.14 -2.47 0.00 0.00 174.74 173.89 3i99 s GLN 87 N -0.11 1.52 -0.20 2.88 -2.07 -0.12 -5.01 119.66 116.55 3i99 s GLN 87 Ca 0.01 -1.32 -0.18 0.00 -1.82 0.00 0.00 55.36 52.05 3i99 s GLN 87 Cb -0.08 0.44 0.05 0.00 -1.09 0.00 0.00 33.01 32.33 3i99 s GLN 87 CO 0.01 -0.62 0.53 1.14 -1.32 0.00 0.00 175.29 175.03 3i99 s GLN 88 N -3.99 0.61 0.39 9.60 -2.07 -1.26 -0.40 119.66 122.54 3i99 s GLN 88 Ca 0.25 0.76 -0.07 0.00 -1.82 0.00 0.00 55.36 54.48 3i99 s GLN 88 Cb 0.00 0.28 0.09 0.00 -1.09 0.00 0.00 33.01 32.29 3i99 s GLN 88 CO 0.10 -0.08 0.45 -0.25 -1.32 0.00 0.00 175.29 174.19 3i99 n ASP 89 N 2.94 -0.52 -0.04 12.60 8.00 0.20 -4.95 116.55 134.77 3i99 n ASP 89 Ca -0.14 -1.01 -0.04 0.00 0.71 0.00 0.00 54.79 54.31 3i99 n ASP 89 Cb 0.56 -0.37 0.18 0.00 -0.02 0.00 0.00 41.12 41.48 3i99 n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3i99 h ASP 90 N -1.03 0.63 0.00 -2.24 3.45 -2.03 -3.38 116.42 111.82 3i99 h ASP 90 Ca -0.15 -0.18 -0.32 0.00 0.43 0.00 0.00 57.03 56.80 3i99 h ASP 90 Cb 0.44 -0.17 -0.06 0.00 -0.56 0.00 0.00 39.33 38.98 3i99 h ASP 90 CO 0.11 0.78 -2.28 0.47 -1.57 0.00 0.00 179.24 176.75 3i99 n ASP 91 N -4.17 0.31 -4.10 6.45 8.00 -1.26 -4.90 116.55 116.88 3i99 n ASP 91 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3i99 n ASP 91 Cb 0.35 1.04 -0.11 0.00 -0.02 0.00 0.00 41.12 42.38 3i99 n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i99 s TYR 92 N -2.53 0.70 -0.02 1.24 1.51 -1.26 -0.59 117.35 116.40 3i99 s TYR 92 Ca -0.09 -0.72 -0.08 0.00 -1.01 0.00 0.00 57.07 55.17 3i99 s TYR 92 Cb 0.06 -0.42 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 3i99 s TYR 92 CO 0.78 -0.15 0.26 -1.01 -1.11 0.00 0.00 175.55 174.32 3i99 s HIS 93 N -2.49 3.60 -0.01 2.71 3.76 0.11 0.58 115.29 123.55 3i99 s HIS 93 Ca -0.01 0.61 0.03 0.00 -0.15 0.00 0.00 55.06 55.54 3i99 s HIS 93 Cb -0.02 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 3i99 s HIS 93 CO -0.03 0.64 -0.09 1.03 -0.85 0.00 0.00 174.74 175.44 3i99 s ARG 94 N -1.52 0.81 0.06 1.40 0.52 0.47 -0.88 118.95 119.80 3i99 s ARG 94 Ca 0.24 -0.34 0.07 0.00 -0.52 0.00 0.00 55.73 55.19 3i99 s ARG 94 Cb -0.13 -0.77 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 3i99 s ARG 94 CO 0.13 0.19 -0.19 -0.51 0.02 0.00 0.00 175.30 174.94 3i99 s LEU 95 N -0.16 2.20 -0.27 2.53 1.02 -0.42 -0.94 118.68 122.64 3i99 s LEU 95 Ca 0.03 -0.55 -0.00 0.00 0.02 0.00 0.00 54.13 53.62 3i99 s LEU 95 Cb -0.04 -0.87 0.04 0.00 0.02 0.00 0.00 46.19 45.34 3i99 s LEU 95 CO -0.00 0.10 -0.06 -2.28 0.02 0.00 0.00 176.35 174.14 3i99 s HIS 96 N -0.90 3.19 -0.26 0.29 5.65 -0.04 -1.30 115.29 121.92 3i99 s HIS 96 Ca 0.06 -1.90 -0.05 0.00 0.25 0.00 0.00 55.06 53.42 3i99 s HIS 96 Cb -0.09 -2.04 0.00 0.00 -1.18 0.00 0.00 32.58 29.28 3i99 s HIS 96 CO 0.02 -0.80 0.01 0.08 -0.65 0.00 0.00 174.74 173.40 3i99 s VAL 97 N 1.23 3.57 0.36 0.89 1.01 0.27 -0.38 120.40 127.35 3i99 s VAL 97 Ca -0.04 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 3i99 s VAL 97 Cb -0.19 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.33 3i99 s VAL 97 CO -0.04 0.24 1.15 0.00 0.00 0.00 0.00 175.10 176.46 3i99 n ALA 98 N 4.81 0.66 0.27 5.51 0.00 0.27 -0.26 120.51 131.77 3i99 n ALA 98 Ca -0.16 0.32 0.16 0.00 0.00 0.00 0.00 53.44 53.75 3i99 n ALA 98 Cb 0.49 -2.16 0.71 0.00 0.00 0.00 0.00 19.45 18.50 3i99 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i99 h GLY 99 N 2.08 0.00 1.12 0.00 0.00 -1.19 -2.04 103.07 103.04 3i99 h GLY 99 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3i99 h GLY 99 CO 0.60 0.00 -0.12 0.61 0.00 0.00 0.00 176.54 177.63 3i99 n GLY 100 N -0.19 -1.08 3.77 4.60 0.00 0.11 0.57 105.19 112.97 3i99 n GLY 100 Ca -0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3i99 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i99 s GLU 101 N -2.59 4.10 0.11 1.61 0.41 -0.77 -4.65 118.70 116.92 3i99 s GLU 101 Ca 0.25 2.59 -0.31 0.00 -0.41 0.00 0.00 54.97 57.09 3i99 s GLU 101 Cb 0.20 -2.98 -0.08 0.00 -1.78 0.00 0.00 34.13 29.48 3i99 s GLU 101 CO 0.50 -0.58 1.49 0.34 -0.49 0.00 0.00 175.26 176.52 3i99 s ASP 102 N 0.06 6.72 -0.01 -0.19 2.15 -1.26 -0.50 116.67 123.64 3i99 s ASP 102 Ca 0.56 2.41 -0.24 0.00 0.43 0.00 0.00 52.55 55.71 3i99 s ASP 102 Cb -0.47 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.40 3i99 s ASP 102 CO 0.59 -0.75 1.14 -0.25 -0.17 0.00 0.00 175.17 175.73 3i99 h TRP 103 N 7.17 -0.28 -0.90 -5.34 2.91 -0.73 -1.13 115.95 117.65 3i99 h TRP 103 Ca -0.42 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 59.71 3i99 h TRP 103 Cb 1.20 0.09 -0.08 0.00 -0.51 0.00 0.00 29.16 29.87 3i99 h TRP 103 CO 0.69 0.09 0.53 -1.35 -1.03 0.00 0.00 178.44 177.37 3i99 h PRO 104 N -0.74 0.83 -0.92 2.65 0.11 -1.78 0.30 132.00 132.46 3i99 h PRO 104 Ca -0.03 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3i99 h PRO 104 Cb 0.50 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 3i99 h PRO 104 CO 0.05 0.55 0.60 0.77 -0.21 0.00 0.00 178.00 179.76 3i99 h SER 105 N 0.86 1.02 -0.76 -2.05 0.02 -1.92 -2.06 113.55 108.66 3i99 h SER 105 Ca 0.45 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.32 3i99 h SER 105 Cb 0.44 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3i99 h SER 105 CO -0.27 0.72 0.26 0.25 -1.14 0.00 0.00 176.83 176.65 3i99 h LEU 106 N 1.20 1.10 -0.49 5.07 5.85 0.31 -1.14 115.31 127.21 3i99 h LEU 106 Ca 0.35 -0.20 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3i99 h LEU 106 Cb -0.07 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 3i99 h LEU 106 CO -0.10 1.00 -0.38 0.58 -0.34 0.00 0.00 178.44 179.20 3i99 h VAL 107 N 1.13 1.28 0.00 1.05 2.07 -0.82 -1.01 116.25 119.94 3i99 h VAL 107 Ca 0.25 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 3i99 h VAL 107 Cb 0.29 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3i99 h VAL 107 CO -0.01 0.51 -0.14 0.77 0.02 0.00 0.00 177.57 178.73 3i99 h SER 108 N 0.67 0.00 -0.01 0.57 4.64 -0.76 -1.69 113.55 116.98 3i99 h SER 108 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3i99 h SER 108 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3i99 h SER 108 CO 0.09 0.14 -0.15 -0.25 -0.87 0.00 0.00 176.83 175.78 3i99 h TRP 109 N 0.00 0.17 -0.13 4.77 7.01 -0.82 -1.10 115.95 125.85 3i99 h TRP 109 Ca -0.00 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 60.96 3i99 h TRP 109 Cb 0.30 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 3i99 h TRP 109 CO 0.00 0.85 -0.18 0.00 -2.79 0.00 0.00 178.44 176.33 3i99 h VAL 111 N -0.22 0.60 0.00 0.00 2.07 -1.36 0.27 116.25 117.61 3i99 h VAL 111 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3i99 h VAL 111 Cb 0.36 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3i99 h VAL 111 CO -0.26 0.00 -0.13 1.05 0.02 0.00 0.00 177.57 178.24 3i99 h GLU 112 N -0.18 0.00 0.00 1.57 -0.00 -0.64 -0.61 114.58 114.72 3i99 h GLU 112 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.45 3i99 h GLU 112 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 3i99 h GLU 112 CO -0.24 0.13 0.00 1.04 -0.00 0.00 0.00 179.01 179.94 3i99 n GLN 113 N -4.34 0.54 -1.45 1.06 1.13 0.58 -4.88 117.38 110.02 3i99 n GLN 113 Ca -0.03 0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 3i99 n GLN 113 Cb 0.20 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 3i99 n GLN 113 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i99 n GLY 114 N 0.69 0.91 3.49 1.08 0.00 -0.24 -4.99 105.19 106.13 3i99 n GLY 114 Ca 0.15 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3i99 n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i99 s ILE 115 N -2.38 4.50 0.25 -0.61 1.01 0.87 -5.00 121.20 119.84 3i99 s ILE 115 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 3i99 s ILE 115 Cb 0.00 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 3i99 s ILE 115 CO 0.00 -1.10 0.88 -0.83 0.00 0.00 0.00 174.94 173.90 3i99 s GLY 116 N 2.96 2.92 0.00 6.18 0.00 -1.26 -4.25 107.32 113.87 3i99 s GLY 116 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3i99 s GLY 116 CO 0.16 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.85 3i99 n GLY 117 N 1.12 0.80 0.09 0.20 0.00 -1.26 -4.69 105.19 101.46 3i99 n GLY 117 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3i99 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i99 n LEU 118 N 0.00 1.01 0.15 0.99 7.94 -1.26 -4.72 117.00 121.11 3i99 n LEU 118 Ca 0.00 -0.56 0.02 0.00 -1.11 0.00 0.00 56.01 54.36 3i99 n LEU 118 Cb 0.00 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.33 3i99 n LEU 118 CO 0.00 0.23 0.82 1.05 -1.11 0.00 0.00 177.39 178.38 3i99 h GLU 119 N 0.46 0.13 0.00 1.96 9.09 -1.91 -1.23 114.58 123.09 3i99 h GLU 119 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3i99 h GLU 119 Cb 0.45 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3i99 h GLU 119 CO 0.00 0.37 0.02 -0.91 0.05 0.00 0.00 179.01 178.54 3i99 h ASN 120 N 0.12 0.00 -0.47 3.06 4.21 -1.90 -1.62 115.58 118.99 3i99 h ASN 120 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3i99 h ASN 120 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3i99 h ASN 120 CO 0.03 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.35 3i99 n LEU 121 N -3.00 2.59 -4.51 1.61 4.32 -0.46 -4.48 117.00 113.07 3i99 n LEU 121 Ca -0.03 -1.28 -0.47 0.00 -0.02 0.00 0.00 56.01 54.22 3i99 n LEU 121 Cb 0.08 -0.31 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 3i99 n LEU 121 CO 0.19 0.64 0.36 0.00 -1.22 0.00 0.00 177.39 177.35 3i99 n ALA 122 N 0.91 -1.51 -0.96 -1.18 0.00 -0.61 -2.93 120.51 114.24 3i99 n ALA 122 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3i99 n ALA 122 Cb 0.41 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3i99 n ALA 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i99 n LEU 123 N 1.65 0.83 -4.65 0.00 4.77 -1.26 -4.91 117.00 113.43 3i99 n LEU 123 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3i99 n LEU 123 Cb 0.27 -2.07 -0.03 0.00 -2.33 0.00 0.00 43.42 39.27 3i99 n LEU 123 CO 0.59 -0.79 1.42 -0.63 -1.33 0.00 0.00 177.39 176.65 3i99 s ILE 124 N -1.20 3.54 0.80 -0.08 1.01 -1.15 -4.86 121.20 119.26 3i99 s ILE 124 Ca 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 3i99 s ILE 124 Cb 0.00 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 39.08 3i99 s ILE 124 CO 0.00 -0.12 1.13 -2.84 0.00 0.00 0.00 174.94 173.10 3i99 s PRO 125 N 4.40 1.90 0.00 2.79 0.02 -1.26 -3.57 135.00 139.28 3i99 s PRO 125 Ca 0.76 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3i99 s PRO 125 Cb -0.31 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3i99 s PRO 125 CO 0.31 -1.94 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 3i99 n GLY 126 N -0.48 2.85 3.89 0.52 0.00 -1.26 -4.94 105.19 105.77 3i99 n GLY 126 Ca 0.11 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 3i99 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i99 h ALA 128 N 3.31 1.81 -0.06 0.00 0.00 -0.69 0.10 119.26 123.73 3i99 h ALA 128 Ca -0.48 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3i99 h ALA 128 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i99 h ALA 128 CO 0.70 -0.04 -0.20 0.78 0.00 0.00 0.00 179.25 180.48 3i99 h GLY 129 N 0.71 0.11 2.00 0.00 0.00 -0.10 -1.98 103.07 103.81 3i99 h GLY 129 Ca 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3i99 h GLY 129 CO -0.21 0.07 0.00 1.76 0.00 0.00 0.00 176.54 178.16 3i99 h SER 130 N 0.10 0.00 -0.54 0.19 0.02 -1.17 -3.37 113.55 108.78 3i99 h SER 130 Ca 0.02 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3i99 h SER 130 Cb 0.41 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3i99 h SER 130 CO 0.03 0.00 0.22 0.00 -1.14 0.00 0.00 176.83 175.94 3i99 h ALA 131 N 2.25 0.68 0.00 3.77 0.00 -1.19 -1.37 119.26 123.40 3i99 h ALA 131 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i99 h ALA 131 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3i99 h ALA 131 CO 0.00 -0.16 -0.21 -1.00 0.00 0.00 0.00 179.25 177.88 3i99 h PRO 132 N 0.43 0.00 -0.10 0.00 0.13 -1.74 -2.27 132.00 128.45 3i99 h PRO 132 Ca 0.26 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.41 3i99 h PRO 132 Cb 0.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 3i99 h PRO 132 CO -0.23 0.21 -0.02 0.82 -0.23 0.00 0.00 178.00 178.55 3i99 h ILE 133 N 0.00 0.91 -0.40 -3.56 1.08 -1.47 -2.00 117.51 112.07 3i99 h ILE 133 Ca -0.00 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3i99 h ILE 133 Cb 0.65 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3i99 h ILE 133 CO 0.03 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 177.50 3i99 n GLN 134 N -5.13 3.72 -3.82 2.37 6.02 -1.25 -3.62 117.38 115.67 3i99 n GLN 134 Ca -0.05 -2.99 -0.33 0.00 -0.01 0.00 0.00 57.00 53.63 3i99 n GLN 134 Cb 0.07 -2.03 0.02 0.00 1.02 0.00 0.00 30.24 29.33 3i99 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i99 n ASN 135 N -0.07 -4.92 -4.57 1.08 5.15 -0.75 -3.45 115.26 107.73 3i99 n ASN 135 Ca 0.25 -1.04 -0.41 0.00 -0.60 0.00 0.00 54.58 52.78 3i99 n ASN 135 Cb 1.03 -2.32 0.02 0.00 -0.53 0.00 0.00 39.78 37.97 3i99 n ASN 135 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3i99 n ILE 136 N -3.84 2.42 -3.68 -1.44 -5.35 -0.94 -4.32 119.36 102.21 3i99 n ILE 136 Ca -0.17 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.70 3i99 n ILE 136 Cb 0.61 -1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.45 3i99 n ILE 136 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i99 s GLY 137 N -0.85 -0.23 -0.19 3.28 0.00 -1.26 -0.12 107.32 107.96 3i99 s GLY 137 Ca 0.65 0.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.17 3i99 s GLY 137 CO 0.56 -0.15 1.09 0.00 0.00 0.00 0.00 173.10 174.61 3i99 s ALA 138 N -2.94 -1.98 -0.96 3.20 0.00 0.06 -4.98 121.76 114.16 3i99 s ALA 138 Ca -0.02 1.65 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 3i99 s ALA 138 Cb 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.32 3i99 s ALA 138 CO -0.06 -0.32 0.24 0.66 0.00 0.00 0.00 175.76 176.28 3i99 n TYR 139 N 0.61 -1.68 -0.46 0.00 4.02 -1.26 -1.73 117.16 116.65 3i99 n TYR 139 Ca -0.07 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3i99 n TYR 139 Cb 0.58 -2.36 0.00 0.00 -0.02 0.00 0.00 39.34 37.54 3i99 n TYR 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i99 n GLY 140 N -0.90 0.77 3.29 2.72 0.00 -1.26 -4.69 105.19 105.11 3i99 n GLY 140 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 3i99 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i99 s VAL 141 N -2.11 1.81 0.09 1.61 1.01 -0.71 -5.09 120.40 117.01 3i99 s VAL 141 Ca 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.66 3i99 s VAL 141 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i99 s VAL 141 CO 0.00 0.16 -0.11 -1.61 0.00 0.00 0.00 175.10 173.54 3i99 s GLU 142 N -1.44 0.84 0.30 2.72 2.02 -1.26 -0.76 118.70 121.13 3i99 s GLU 142 Ca 0.08 -1.12 0.06 0.00 0.02 0.00 0.00 54.97 54.01 3i99 s GLU 142 Cb -0.09 -0.58 0.81 0.00 0.10 0.00 0.00 34.13 34.37 3i99 s GLU 142 CO 0.03 0.10 1.68 0.35 0.02 0.00 0.00 175.26 177.44 3i99 h PHE 143 N 3.67 0.69 -0.12 1.61 3.57 -0.72 -1.21 116.94 124.44 3i99 h PHE 143 Ca -0.38 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.20 3i99 h PHE 143 Cb 1.19 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 3i99 h PHE 143 CO 0.64 -0.09 0.16 1.57 -2.23 0.00 0.00 178.31 178.36 3i99 h LYS 144 N 0.37 0.00 0.00 1.11 2.10 -1.89 -1.19 116.57 117.07 3i99 h LYS 144 Ca 0.60 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.15 3i99 h LYS 144 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3i99 h LYS 144 CO -0.56 0.00 -0.49 -0.44 -2.00 0.00 0.00 179.45 175.96 3i99 h ASP 145 N 0.00 0.00 -0.08 7.07 3.32 -1.62 -3.17 116.42 121.94 3i99 h ASP 145 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3i99 h ASP 145 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3i99 h ASP 145 CO -0.00 0.49 0.00 1.33 -1.72 0.00 0.00 179.24 179.34 3i99 n VAL 146 N -3.65 0.23 -3.00 -1.35 0.24 -0.52 -4.98 118.33 105.30 3i99 n VAL 146 Ca -0.01 -0.62 -0.40 0.00 -2.04 0.00 0.00 64.34 61.28 3i99 n VAL 146 Cb 0.56 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 3i99 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i99 n ASP 148 N 3.54 1.96 -3.80 0.00 -0.08 0.38 -4.74 116.55 113.81 3i99 n ASP 148 Ca -0.01 0.32 -0.08 0.00 -1.51 0.00 0.00 54.79 53.51 3i99 n ASP 148 Cb 0.51 -0.81 -0.02 0.00 2.34 0.00 0.00 41.12 43.14 3i99 n ASP 148 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3i99 s TYR 149 N -2.50 -0.20 -0.03 -0.67 -0.85 -1.00 -4.66 117.35 107.44 3i99 s TYR 149 Ca -0.38 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.00 3i99 s TYR 149 Cb 0.14 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 43.11 3i99 s TYR 149 CO 0.50 -1.14 -0.16 0.08 -1.52 0.00 0.00 175.55 173.31 3i99 s VAL 150 N -3.90 1.35 -0.03 -3.49 1.01 -0.35 -0.35 120.40 114.64 3i99 s VAL 150 Ca 0.10 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3i99 s VAL 150 Cb -0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3i99 s VAL 150 CO 0.03 0.39 -0.03 -1.61 0.00 0.00 0.00 175.10 173.88 3i99 s GLU 151 N -0.06 2.75 0.00 2.72 2.02 -0.06 -0.41 118.70 125.67 3i99 s GLU 151 Ca -0.01 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 3i99 s GLU 151 Cb -0.10 -2.63 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 3i99 s GLU 151 CO 0.01 0.64 0.11 1.52 0.02 0.00 0.00 175.26 177.57 3i99 s TYR 152 N -0.95 0.07 -0.15 1.61 -0.85 -0.32 -0.78 117.35 115.97 3i99 s TYR 152 Ca 0.16 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.23 3i99 s TYR 152 Cb -0.11 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 3i99 s TYR 152 CO 0.06 -0.27 1.50 -1.17 -1.52 0.00 0.00 175.55 174.14 3i99 s LEU 153 N -1.38 4.13 -0.36 -3.49 2.96 0.88 0.28 118.68 121.70 3i99 s LEU 153 Ca -0.15 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 3i99 s LEU 153 Cb -0.08 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3i99 s LEU 153 CO 0.01 -0.98 0.84 0.00 -1.32 0.00 0.00 176.35 174.91 3i99 h LEU 155 N 9.87 0.00 -0.05 0.00 3.38 -1.65 0.18 115.31 127.03 3i99 h LEU 155 Ca -0.24 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.52 3i99 h LEU 155 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3i99 h LEU 155 CO 0.94 0.01 -0.99 -0.33 0.09 0.00 0.00 178.44 178.15 3i99 h GLU 156 N 0.00 0.04 0.00 1.13 5.08 -1.91 -3.38 114.58 115.53 3i99 h GLU 156 Ca -0.00 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 57.99 3i99 h GLU 156 Cb 0.02 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3i99 h GLU 156 CO 0.00 0.99 -2.16 0.25 -1.00 0.00 0.00 179.01 177.09 3i99 n THR 157 N -3.42 1.16 -0.88 1.13 -2.24 -0.91 -4.99 114.28 104.14 3i99 n THR 157 Ca -0.01 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3i99 n THR 157 Cb 0.92 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3i99 n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i99 n GLY 158 N 2.05 0.48 3.38 3.38 0.00 0.57 -5.06 105.19 109.99 3i99 n GLY 158 Ca -0.29 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 3i99 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i99 s THR 159 N -2.00 1.94 -0.07 2.61 -4.23 -1.25 -4.94 115.64 107.71 3i99 s THR 159 Ca 0.00 -2.27 -0.25 0.00 -1.18 0.00 0.00 61.69 57.99 3i99 s THR 159 Cb 0.00 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 3i99 s THR 159 CO 0.00 -0.54 0.80 -0.69 -0.54 0.00 0.00 174.62 173.64 3i99 s VAL 160 N -2.85 4.97 0.33 2.29 1.01 -1.26 -1.14 120.40 123.75 3i99 s VAL 160 Ca 0.24 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.95 3i99 s VAL 160 Cb -0.02 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3i99 s VAL 160 CO 0.09 0.18 0.06 -0.54 0.00 0.00 0.00 175.10 174.90 3i99 s LYS 161 N 1.12 2.24 -0.03 2.72 1.02 0.14 -4.93 119.74 122.02 3i99 s LYS 161 Ca 0.41 -1.61 0.04 0.00 0.02 0.00 0.00 55.97 54.83 3i99 s LYS 161 Cb -0.18 -2.07 -0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3i99 s LYS 161 CO 0.19 0.16 -0.14 0.50 -0.92 0.00 0.00 175.35 175.15 3i99 s ARG 162 N -3.76 1.40 -0.06 1.68 3.52 -1.26 -1.18 118.95 119.28 3i99 s ARG 162 Ca 0.35 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 3i99 s ARG 162 Cb -0.02 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 32.08 3i99 s ARG 162 CO 0.21 0.23 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.29 3i99 s LEU 163 N -0.02 2.85 0.00 -0.88 1.43 0.45 -4.97 118.68 117.54 3i99 s LEU 163 Ca -0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3i99 s LEU 163 Cb -0.09 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3i99 s LEU 163 CO 0.01 0.33 0.00 0.35 0.23 0.00 0.00 176.35 177.27 3i99 n THR 164 N 2.43 0.00 0.00 5.49 -2.24 -1.26 -1.21 114.28 117.48 3i99 n THR 164 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3i99 n THR 164 Cb 0.52 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3i99 n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i99 n GLU 166 N 0.00 0.00 0.05 -0.78 -0.58 -1.26 -1.94 120.64 116.14 3i99 n GLU 166 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3i99 n GLU 166 Cb 0.00 0.00 0.37 0.00 -0.57 0.00 0.00 31.44 31.24 3i99 n GLU 166 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i99 n GLU 167 N 0.00 0.08 0.07 3.49 1.02 -1.26 -2.25 120.64 121.79 3i99 n GLU 167 Ca 0.00 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3i99 n GLU 167 Cb 0.00 -1.65 0.44 0.00 -0.02 0.00 0.00 31.44 30.21 3i99 n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i99 n GLN 169 N -1.91 -3.81 -2.17 0.00 6.02 -0.95 -0.33 117.38 114.24 3i99 n GLN 169 Ca 0.04 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 3i99 n GLN 169 Cb 0.27 -4.96 -0.02 0.00 1.02 0.00 0.00 30.24 26.55 3i99 n GLN 169 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i99 s PHE 170 N -3.65 3.13 0.19 1.08 0.08 -1.26 -3.96 117.98 113.59 3i99 s PHE 170 Ca 0.13 1.44 0.04 0.00 0.12 0.00 0.00 56.93 58.66 3i99 s PHE 170 Cb -0.04 -3.63 -0.01 0.00 -0.57 0.00 0.00 43.02 38.77 3i99 s PHE 170 CO 0.82 -1.69 0.17 0.41 -0.10 0.00 0.00 175.22 174.83 3i99 n GLY 171 N 0.91 3.34 3.57 4.36 0.00 0.33 -4.91 105.19 112.78 3i99 n GLY 171 Ca 0.00 -1.77 -0.50 0.00 0.00 0.00 0.00 46.02 43.75 3i99 n GLY 171 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i99 n TYR 172 N -0.35 1.93 -4.03 1.61 9.36 -1.26 -1.79 117.16 122.62 3i99 n TYR 172 Ca 0.04 0.17 -0.33 0.00 3.32 0.00 0.00 57.90 61.11 3i99 n TYR 172 Cb 0.34 -2.59 0.01 0.00 -0.63 0.00 0.00 39.34 36.47 3i99 n TYR 172 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3i99 n ARG 173 N 7.45 -4.65 -3.70 2.98 5.12 -1.22 -4.93 116.66 117.70 3i99 n ARG 173 Ca 0.32 0.51 -0.13 0.00 -1.93 0.00 0.00 57.85 56.62 3i99 n ARG 173 Cb 0.26 -5.34 -0.07 0.00 -1.16 0.00 0.00 32.46 26.14 3i99 n ARG 173 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3i99 s ASP 174 N -3.31 -0.27 0.25 0.55 2.15 -0.74 -4.81 116.67 110.49 3i99 s ASP 174 Ca 0.69 0.10 -0.21 0.00 0.43 0.00 0.00 52.55 53.56 3i99 s ASP 174 Cb -0.36 0.38 0.06 0.00 -0.30 0.00 0.00 42.92 42.70 3i99 s ASP 174 CO 0.87 -0.56 0.91 -0.94 -0.17 0.00 0.00 175.17 175.28 3i99 s SER 175 N -1.62 -0.08 0.55 -0.34 1.04 -1.24 -0.52 113.70 111.50 3i99 s SER 175 Ca -0.09 -0.73 0.22 0.00 0.48 0.00 0.00 55.95 55.83 3i99 s SER 175 Cb -0.03 0.63 1.53 0.00 0.10 0.00 0.00 66.02 68.25 3i99 s SER 175 CO 0.02 -1.21 2.20 -0.29 0.98 0.00 0.00 173.24 174.93 3i99 h ILE 176 N 2.00 0.78 0.00 -1.02 2.10 -0.80 -1.23 117.51 119.33 3i99 h ILE 176 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3i99 h ILE 176 Cb 1.23 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 3i99 h ILE 176 CO 0.33 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.89 3i99 n PHE 177 N -4.21 0.01 1.03 2.19 3.72 -1.26 -0.31 117.46 118.61 3i99 n PHE 177 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 3i99 n PHE 177 Cb 0.09 -0.50 0.12 0.00 -0.94 0.00 0.00 39.48 38.24 3i99 n PHE 177 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3i99 n LYS 178 N -1.51 2.23 0.00 -1.08 5.02 -0.47 -3.13 118.16 119.23 3i99 n LYS 178 Ca 0.04 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 3i99 n LYS 178 Cb 0.19 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3i99 n LYS 178 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i99 n HIS 179 N 1.21 0.00 -0.35 2.13 8.25 0.57 -4.70 115.22 122.33 3i99 n HIS 179 Ca 0.14 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.75 3i99 n HIS 179 Cb 0.58 0.00 0.36 0.00 1.12 0.00 0.00 29.99 32.05 3i99 n HIS 179 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3i99 h GLN 180 N 0.00 0.65 -0.43 -0.41 4.20 -1.85 -1.67 115.11 115.60 3i99 h GLN 180 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3i99 h GLN 180 Cb 0.00 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3i99 h GLN 180 CO 0.00 0.43 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 3i99 n LEU 181 N -4.82 3.20 -4.69 1.46 4.77 -0.25 -4.79 117.00 111.89 3i99 n LEU 181 Ca 0.25 -1.44 -0.44 0.00 -0.03 0.00 0.00 56.01 54.35 3i99 n LEU 181 Cb 0.66 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3i99 n LEU 181 CO 0.19 0.72 1.44 0.00 -1.33 0.00 0.00 177.39 178.41 3i99 n TYR 182 N 1.30 2.53 -1.02 -1.77 9.36 -0.63 -1.41 117.16 125.51 3i99 n TYR 182 Ca 0.20 -0.06 -0.01 0.00 3.32 0.00 0.00 57.90 61.35 3i99 n TYR 182 Cb 0.55 -2.69 -0.00 0.00 -0.63 0.00 0.00 39.34 36.56 3i99 n TYR 182 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3i99 n GLN 183 N 5.44 -1.93 -0.03 2.98 6.02 -1.26 -4.77 117.38 123.83 3i99 n GLN 183 Ca 0.19 0.51 0.04 0.00 -0.01 0.00 0.00 57.00 57.72 3i99 n GLN 183 Cb 0.35 -4.96 0.05 0.00 1.02 0.00 0.00 30.24 26.69 3i99 n GLN 183 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i99 n LYS 184 N 0.79 0.67 -3.71 -1.09 5.02 -0.50 -4.98 118.16 114.36 3i99 n LYS 184 Ca -0.01 -1.15 -0.11 0.00 -2.02 0.00 0.00 58.31 55.02 3i99 n LYS 184 Cb 0.49 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 34.23 3i99 n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i99 s ALA 185 N -0.71 -0.87 -0.22 7.82 0.00 -1.15 -1.72 121.76 124.91 3i99 s ALA 185 Ca 0.10 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 3i99 s ALA 185 Cb 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3i99 s ALA 185 CO 0.10 -0.24 -0.08 0.08 0.00 0.00 0.00 175.76 175.61 3i99 s VAL 186 N 1.31 2.89 0.16 0.00 1.01 -0.60 -4.94 120.40 120.23 3i99 s VAL 186 Ca -0.09 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3i99 s VAL 186 Cb -0.09 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.86 3i99 s VAL 186 CO -0.11 0.37 1.23 -0.69 0.00 0.00 0.00 175.10 175.89 3i99 s VAL 187 N 1.38 3.59 -0.19 2.92 1.01 -1.26 -0.09 120.40 127.76 3i99 s VAL 187 Ca 0.04 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.40 3i99 s VAL 187 Cb -0.15 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 3i99 s VAL 187 CO -0.06 0.18 0.31 0.35 0.00 0.00 0.00 175.10 175.88 3i99 n THR 188 N 2.89 0.00 -3.58 3.92 -2.24 0.04 -4.77 114.28 110.53 3i99 n THR 188 Ca 0.06 -0.25 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 3i99 n THR 188 Cb 0.45 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3i99 n THR 188 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i99 s ALA 189 N -2.46 -1.87 -0.05 6.98 0.00 -1.14 -1.09 121.76 122.13 3i99 s ALA 189 Ca -0.01 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3i99 s ALA 189 Cb 0.07 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.56 3i99 s ALA 189 CO 0.44 -0.78 -0.09 0.54 0.00 0.00 0.00 175.76 175.87 3i99 s VAL 190 N -2.95 0.85 -0.26 0.00 0.11 0.64 -0.88 120.40 117.91 3i99 s VAL 190 Ca 0.08 -0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 58.65 3i99 s VAL 190 Cb -0.01 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3i99 s VAL 190 CO -0.05 0.29 0.40 -0.83 -3.33 0.00 0.00 175.10 171.57 3i99 s GLY 191 N 0.67 1.89 -0.02 6.54 0.00 0.53 -0.57 107.32 116.36 3i99 s GLY 191 Ca -0.12 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.87 3i99 s GLY 191 CO 0.02 1.01 -0.07 1.08 0.00 0.00 0.00 173.10 175.14 3i99 s LEU 192 N 2.04 3.15 -0.06 0.66 1.02 -0.42 0.14 118.68 125.22 3i99 s LEU 192 Ca 0.16 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.21 3i99 s LEU 192 Cb -0.16 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.31 3i99 s LEU 192 CO 0.10 0.31 -0.04 -0.75 0.02 0.00 0.00 176.35 175.98 3i99 s LYS 193 N -1.20 0.90 -0.08 1.70 2.20 0.15 -1.30 119.74 122.11 3i99 s LYS 193 Ca 0.15 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 3i99 s LYS 193 Cb -0.11 -0.96 0.02 0.00 -1.51 0.00 0.00 37.83 35.27 3i99 s LYS 193 CO 0.05 -0.13 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.79 3i99 s PHE 194 N 1.18 1.11 0.30 4.03 0.08 -0.06 -4.67 117.98 119.95 3i99 s PHE 194 Ca -0.07 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 3i99 s PHE 194 Cb -0.14 -0.96 -0.12 0.00 -0.57 0.00 0.00 43.02 41.23 3i99 s PHE 194 CO -0.01 -0.34 1.51 0.00 -0.10 0.00 0.00 175.22 176.28 3i99 n ALA 195 N 4.52 2.10 0.24 5.36 0.00 -1.26 -0.71 120.51 130.76 3i99 n ALA 195 Ca -0.17 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3i99 n ALA 195 Cb 0.51 -2.40 0.58 0.00 0.00 0.00 0.00 19.45 18.14 3i99 n ALA 195 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i99 h LYS 196 N 4.22 0.00 -4.91 0.00 1.57 -1.18 -3.31 116.57 112.96 3i99 h LYS 196 Ca -0.47 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.61 3i99 h LYS 196 Cb 1.24 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.37 3i99 h LYS 196 CO 0.75 0.17 0.86 0.00 -0.57 0.00 0.00 179.45 180.66 3i99 s ALA 197 N -3.84 3.50 0.27 3.86 0.00 -1.26 -5.01 121.76 119.29 3i99 s ALA 197 Ca -0.01 -2.89 -0.30 0.00 0.00 0.00 0.00 51.96 48.77 3i99 s ALA 197 Cb 0.11 -4.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 3i99 s ALA 197 CO 0.61 -2.91 1.07 -0.46 0.00 0.00 0.00 175.76 174.07 3i99 s TRP 198 N 2.36 3.66 -0.24 0.00 -0.00 -1.25 -5.04 118.94 118.43 3i99 s TRP 198 Ca 0.33 1.74 0.02 0.00 -0.00 0.00 0.00 56.10 58.20 3i99 s TRP 198 Cb -0.05 -3.22 0.05 0.00 -0.00 0.00 0.00 33.47 30.25 3i99 s TRP 198 CO -0.08 -0.35 -0.12 -0.65 -0.00 0.00 0.00 176.95 175.75 3i99 s GLN 199 N -1.40 2.28 0.34 5.86 -0.21 -1.26 -5.10 119.66 120.16 3i99 s GLN 199 Ca 0.44 -1.20 -0.28 0.00 0.02 0.00 0.00 55.36 54.34 3i99 s GLN 199 Cb -0.31 -2.77 -0.12 0.00 1.00 0.00 0.00 33.01 30.81 3i99 s GLN 199 CO 0.39 -0.51 1.30 -2.30 -2.12 0.00 0.00 175.29 172.05 3i99 n PRO 200 N 4.50 2.15 -3.80 2.91 -0.02 -1.26 -4.96 135.00 134.52 3i99 n PRO 200 Ca -0.15 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 3i99 n PRO 200 Cb 0.44 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.45 3i99 n PRO 200 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i99 s ILE 201 N -1.08 3.75 -0.31 4.25 1.01 -1.26 -4.99 121.20 122.57 3i99 s ILE 201 Ca 0.55 -0.73 0.17 0.00 0.00 0.00 0.00 60.65 60.65 3i99 s ILE 201 Cb -0.57 -2.92 0.46 0.00 0.01 0.00 0.00 42.46 39.44 3i99 s ILE 201 CO 0.62 0.12 1.27 0.00 0.00 0.00 0.00 174.94 176.96 3i99 n ILE 202 N 4.83 0.66 0.29 2.92 0.13 -1.26 -4.84 119.36 122.09 3i99 n ILE 202 Ca -0.15 -2.12 0.03 0.00 -1.10 0.00 0.00 62.75 59.41 3i99 n ILE 202 Cb 0.48 1.09 0.01 0.00 -0.84 0.00 0.00 39.64 40.38 3i99 n ILE 202 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i99 n GLN 203 N -0.87 1.73 -4.76 9.51 1.13 -1.26 -3.78 117.38 119.08 3i99 n GLN 203 Ca -0.02 -0.59 -0.32 0.00 -1.94 0.00 0.00 57.00 54.13 3i99 n GLN 203 Cb 0.84 -1.01 -0.13 0.00 0.11 0.00 0.00 30.24 30.05 3i99 n GLN 203 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3i99 s TYR 204 N -0.92 2.67 0.00 1.08 1.51 -1.26 -4.77 117.35 115.66 3i99 s TYR 204 Ca 0.06 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 3i99 s TYR 204 Cb 0.05 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 3i99 s TYR 204 CO 0.14 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 3i99 n GLY 205 N 1.94 2.10 0.00 0.71 0.00 -1.26 -1.38 105.19 107.31 3i99 n GLY 205 Ca -0.16 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3i99 n GLY 205 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i99 n PRO 206 N 14.00 0.58 0.11 1.61 -0.02 -1.26 -2.09 135.00 147.93 3i99 n PRO 206 Ca 0.00 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3i99 n PRO 206 Cb 0.00 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.44 3i99 n PRO 206 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i99 n LEU 207 N -1.10 0.64 0.28 2.45 4.77 -0.48 -2.66 117.00 120.90 3i99 n LEU 207 Ca 0.15 0.62 0.18 0.00 -0.03 0.00 0.00 56.01 56.93 3i99 n LEU 207 Cb 0.11 -0.49 0.83 0.00 -2.33 0.00 0.00 43.42 41.54 3i99 n LEU 207 CO 0.14 -0.40 1.03 0.11 -1.33 0.00 0.00 177.39 176.95 3i99 h LYS 208 N 0.00 0.00 0.00 3.23 1.57 -1.51 -1.61 116.57 118.25 3i99 h LYS 208 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i99 h LYS 208 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3i99 h LYS 208 CO 0.00 0.00 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.60 3i99 n ASP 209 N -2.96 0.60 -4.89 0.86 8.00 -1.09 -4.82 116.55 112.26 3i99 n ASP 209 Ca -0.00 0.53 -0.29 0.00 0.71 0.00 0.00 54.79 55.73 3i99 n ASP 209 Cb 0.21 -0.66 0.03 0.00 -0.02 0.00 0.00 41.12 40.68 3i99 n ASP 209 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i99 s LEU 210 N -4.10 3.14 0.31 0.64 1.02 -0.61 -5.08 118.68 114.00 3i99 s LEU 210 Ca 0.11 1.09 0.10 0.00 0.02 0.00 0.00 54.13 55.46 3i99 s LEU 210 Cb 0.14 -3.98 -0.05 0.00 0.02 0.00 0.00 46.19 42.32 3i99 s LEU 210 CO 0.59 -1.07 -0.08 -0.55 0.02 0.00 0.00 176.35 175.26 3i99 s SER 211 N -4.27 3.99 0.00 2.29 0.15 -1.26 -5.02 113.70 109.57 3i99 s SER 211 Ca 0.55 -0.97 0.31 0.00 0.70 0.00 0.00 55.95 56.55 3i99 s SER 211 Cb -0.11 -0.49 1.79 0.00 -1.71 0.00 0.00 66.02 65.50 3i99 s SER 211 CO 0.50 -0.09 2.16 -1.54 1.20 0.00 0.00 173.24 175.47 3i99 n SER 212 N -0.81 0.16 -1.24 5.45 3.41 -1.26 -2.39 113.62 116.94 3i99 n SER 212 Ca -0.05 -0.99 -0.03 0.00 -0.26 0.00 0.00 58.87 57.54 3i99 n SER 212 Cb 0.61 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.76 3i99 n SER 212 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i99 n ASP 213 N -0.90 3.07 -4.87 4.04 5.75 -1.26 -4.78 116.55 117.60 3i99 n ASP 213 Ca 0.23 -3.54 -0.29 0.00 -0.01 0.00 0.00 54.79 51.17 3i99 n ASP 213 Cb 0.15 -0.64 0.10 0.00 -1.03 0.00 0.00 41.12 39.70 3i99 n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i99 s ALA 215 N -3.49 3.73 0.24 0.00 0.00 -1.26 -4.96 121.76 116.02 3i99 s ALA 215 Ca 0.62 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 3i99 s ALA 215 Cb -0.12 -2.09 0.30 0.00 0.00 0.00 0.00 23.12 21.21 3i99 s ALA 215 CO 0.50 0.16 1.58 0.82 0.00 0.00 0.00 175.76 178.83 3i99 h ILE 216 N 1.09 0.14 -0.82 0.00 2.04 -1.99 -0.03 117.51 117.95 3i99 h ILE 216 Ca -0.49 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3i99 h ILE 216 Cb 1.21 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3i99 h ILE 216 CO 0.64 0.00 0.47 -0.74 0.00 0.00 0.00 178.15 178.52 3i99 h HIS 217 N -0.03 0.86 -0.60 1.37 2.76 -1.95 -1.02 115.15 116.54 3i99 h HIS 217 Ca 0.36 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.62 3i99 h HIS 217 Cb 0.60 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 3i99 h HIS 217 CO -0.68 0.37 0.31 -0.44 -1.30 0.00 0.00 177.93 176.18 3i99 h ASP 218 N 0.81 0.43 -0.13 3.26 3.32 -1.39 0.65 116.42 123.38 3i99 h ASP 218 Ca 0.39 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3i99 h ASP 218 Cb 0.32 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i99 h ASP 218 CO -0.23 0.28 -0.01 0.58 -1.72 0.00 0.00 179.24 178.14 3i99 h VAL 219 N 0.57 1.27 -0.17 -1.35 2.07 -1.09 -2.73 116.25 114.81 3i99 h VAL 219 Ca 0.28 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3i99 h VAL 219 Cb 0.21 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3i99 h VAL 219 CO -0.20 0.25 0.07 0.22 0.02 0.00 0.00 177.57 177.94 3i99 h TYR 220 N -0.06 0.14 -0.31 1.57 3.20 -0.67 -0.75 116.97 120.09 3i99 h TYR 220 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3i99 h TYR 220 Cb 0.39 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3i99 h TYR 220 CO 0.04 0.08 -0.10 1.96 -1.64 0.00 0.00 178.16 178.50 3i99 h GLN 221 N 0.17 -0.03 -0.84 1.82 1.08 -0.91 -0.30 115.11 116.10 3i99 h GLN 221 Ca 0.07 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3i99 h GLN 221 Cb 0.03 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3i99 h GLN 221 CO -0.06 -0.02 0.53 0.00 -0.95 0.00 0.00 178.83 178.33 3i99 h ARG 222 N -0.03 0.97 -0.16 1.46 2.47 -1.14 0.14 114.38 118.09 3i99 h ARG 222 Ca 0.15 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 3i99 h ARG 222 Cb 0.26 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 3i99 h ARG 222 CO -0.33 0.64 0.00 0.28 0.56 0.00 0.00 179.97 181.12 3i99 h VAL 223 N 1.00 1.25 -0.58 2.04 2.07 -0.79 -1.81 116.25 119.44 3i99 h VAL 223 Ca 0.35 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3i99 h VAL 223 Cb 0.08 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3i99 h VAL 223 CO -0.14 0.25 0.38 0.00 0.02 0.00 0.00 177.57 178.07 3i99 h ALA 225 N 1.21 -0.90 -0.36 0.00 0.00 -0.48 -3.02 119.26 115.72 3i99 h ALA 225 Ca 0.21 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3i99 h ALA 225 Cb -0.08 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3i99 h ALA 225 CO -0.05 -1.02 0.00 1.15 0.00 0.00 0.00 179.25 179.33 3i99 h THR 226 N -0.89 0.74 0.00 0.00 2.02 -1.26 -2.10 112.91 111.42 3i99 h THR 226 Ca -0.07 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3i99 h THR 226 Cb 0.71 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3i99 h THR 226 CO 0.08 0.02 0.00 0.54 0.37 0.00 0.00 175.52 176.53 3i99 n ARG 227 N -5.18 0.05 0.00 6.66 1.74 -0.45 -1.12 116.66 118.37 3i99 n ARG 227 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i99 n ARG 227 Cb 0.19 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3i99 n ARG 227 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i99 n GLU 229 N 0.84 0.00 -0.02 5.56 2.13 -0.79 -1.26 120.64 127.09 3i99 n GLU 229 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3i99 n GLU 229 Cb 0.02 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.59 3i99 n GLU 229 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i99 n LYS 230 N 0.00 0.68 -3.84 5.31 4.76 -0.27 -4.88 118.16 119.91 3i99 n LYS 230 Ca 0.00 0.27 -0.35 0.00 -2.87 0.00 0.00 58.31 55.35 3i99 n LYS 230 Cb 0.00 -1.74 -0.10 0.00 -1.84 0.00 0.00 35.03 31.35 3i99 n LYS 230 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i99 s LEU 231 N -6.38 3.92 0.25 -0.35 1.02 -0.39 -4.46 118.68 112.29 3i99 s LEU 231 Ca -0.12 0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 3i99 s LEU 231 Cb 0.07 -2.02 -0.10 0.00 0.02 0.00 0.00 46.19 44.17 3i99 s LEU 231 CO 0.80 0.12 1.43 -2.16 0.02 0.00 0.00 176.35 176.57 3i99 s PRO 232 N 0.69 4.27 -0.04 1.29 0.04 -1.26 -4.95 135.00 135.03 3i99 s PRO 232 Ca 0.05 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 3i99 s PRO 232 Cb -0.13 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3i99 s PRO 232 CO 0.01 -0.41 1.35 0.34 0.04 0.00 0.00 177.00 178.33 3i99 s ASP 233 N 0.31 6.90 0.60 6.66 2.15 -1.26 -4.91 116.67 127.13 3i99 s ASP 233 Ca 0.59 1.98 0.38 0.00 0.43 0.00 0.00 52.55 55.93 3i99 s ASP 233 Cb -0.42 -2.55 1.88 0.00 -0.30 0.00 0.00 42.92 41.53 3i99 s ASP 233 CO 0.44 -0.71 2.18 -0.65 -0.17 0.00 0.00 175.17 176.26 3i99 h PRO 234 N 7.92 0.00 0.00 4.34 0.11 -1.90 0.37 132.00 142.83 3i99 h PRO 234 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3i99 h PRO 234 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i99 h PRO 234 CO 0.91 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3i99 n ALA 235 N -2.10 2.06 0.99 -0.75 0.00 -1.26 -2.69 120.51 116.77 3i99 n ALA 235 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3i99 n ALA 235 Cb 0.19 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.29 3i99 n ALA 235 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i99 n VAL 236 N -1.48 0.00 -5.04 0.00 0.31 0.13 -5.20 118.33 107.06 3i99 n VAL 236 Ca 0.06 -0.33 -0.28 0.00 -0.01 0.00 0.00 64.34 63.78 3i99 n VAL 236 Cb 0.26 1.33 -0.16 0.00 -0.91 0.00 0.00 33.84 34.36 3i99 n VAL 236 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i99 s GLY 238 N -2.33 1.05 0.21 2.92 0.00 -1.09 -4.98 107.32 103.10 3i99 s GLY 238 Ca 0.21 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 3i99 s GLY 238 CO 0.49 -0.66 1.00 0.54 0.00 0.00 0.00 173.10 174.47 3i99 s ASN 239 N -0.34 -0.01 -0.08 1.64 4.22 -0.71 0.61 114.94 120.27 3i99 s ASN 239 Ca 0.04 -0.71 0.14 0.00 -2.14 0.00 0.00 52.86 50.20 3i99 s ASN 239 Cb -0.10 0.54 0.29 0.00 1.28 0.00 0.00 41.25 43.27 3i99 s ASN 239 CO 0.00 -1.07 1.14 0.00 -2.04 0.00 0.00 177.10 175.13 3i99 n ALA 240 N -0.66 2.59 0.00 3.54 0.00 -1.26 -2.81 120.51 121.91 3i99 n ALA 240 Ca -0.04 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.06 3i99 n ALA 240 Cb 0.60 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3i99 n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i99 n GLY 241 N -0.46 -1.15 3.62 0.00 0.00 -1.26 -4.62 105.19 101.31 3i99 n GLY 241 Ca 0.10 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 3i99 n GLY 241 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i99 n SER 242 N 0.30 3.50 -0.05 1.61 7.64 -1.26 -4.11 113.62 121.25 3i99 n SER 242 Ca 0.00 0.53 -0.08 0.00 1.01 0.00 0.00 58.87 60.34 3i99 n SER 242 Cb 0.00 -1.50 0.10 0.00 -1.01 0.00 0.00 64.21 61.79 3i99 n SER 242 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3i99 h PHE 243 N 12.76 0.79 -2.68 1.43 3.57 -0.92 -3.43 116.94 128.46 3i99 h PHE 243 Ca -0.44 -0.20 -0.58 0.00 3.53 0.00 0.00 57.97 60.28 3i99 h PHE 243 Cb 1.25 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.72 3i99 h PHE 243 CO 0.94 0.91 -0.61 -0.06 -2.23 0.00 0.00 178.31 177.26 3i99 s PHE 244 N -4.43 2.96 0.53 0.41 0.08 -1.26 0.09 117.98 116.37 3i99 s PHE 244 Ca -0.08 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 56.69 3i99 s PHE 244 Cb 0.13 -1.41 -0.07 0.00 -0.57 0.00 0.00 43.02 41.10 3i99 s PHE 244 CO 0.83 0.53 1.02 0.15 -0.10 0.00 0.00 175.22 177.65 3i99 s LYS 245 N -3.17 3.71 0.02 0.44 1.02 0.28 -4.69 119.74 117.36 3i99 s LYS 245 Ca 0.30 1.13 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 3i99 s LYS 245 Cb -0.09 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 3i99 s LYS 245 CO 0.21 -0.48 1.58 -0.80 -0.92 0.00 0.00 175.35 174.94 3i99 s ASN 246 N -2.71 6.69 0.34 2.83 0.01 -1.26 -4.49 114.94 116.36 3i99 s ASN 246 Ca 0.62 2.31 -0.27 0.00 -0.71 0.00 0.00 52.86 54.81 3i99 s ASN 246 Cb -0.13 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 3i99 s ASN 246 CO 0.30 -0.85 1.19 -2.16 -1.51 0.00 0.00 177.10 174.07 3i99 s PRO 247 N 2.94 4.32 -0.22 -0.60 0.04 -1.24 -4.74 135.00 135.49 3i99 s PRO 247 Ca 0.71 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.64 3i99 s PRO 247 Cb -0.36 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3i99 s PRO 247 CO 0.30 -0.13 0.02 0.08 0.04 0.00 0.00 177.00 177.31 3i99 s VAL 248 N -1.26 3.99 0.30 -0.36 1.01 -1.26 -0.92 120.40 121.91 3i99 s VAL 248 Ca 0.51 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3i99 s VAL 248 Cb -0.34 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 3i99 s VAL 248 CO 0.44 0.39 -0.07 0.27 0.00 0.00 0.00 175.10 176.13 3i99 s ILE 249 N 1.35 1.86 1.07 2.22 -4.36 0.12 -4.91 121.20 118.56 3i99 s ILE 249 Ca 0.05 -2.15 -0.12 0.00 -0.26 0.00 0.00 60.65 58.17 3i99 s ILE 249 Cb -0.15 -2.53 0.23 0.00 1.25 0.00 0.00 42.46 41.27 3i99 s ILE 249 CO 0.01 -0.26 1.08 -0.94 0.24 0.00 0.00 174.94 175.07 3i99 s SER 250 N -3.51 1.70 0.09 4.36 1.04 -1.26 0.18 113.70 116.31 3i99 s SER 250 Ca 0.31 1.85 -0.29 0.00 0.48 0.00 0.00 55.95 58.29 3i99 s SER 250 Cb 0.03 -2.45 -0.13 0.00 0.10 0.00 0.00 66.02 63.58 3i99 s SER 250 CO 0.14 -3.81 1.64 -0.61 0.98 0.00 0.00 173.24 171.58 3i99 h GLN 251 N -2.35 -0.56 -0.73 4.02 5.75 -1.94 -0.52 115.11 118.77 3i99 h GLN 251 Ca -0.54 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.13 3i99 h GLN 251 Cb 1.31 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.89 3i99 h GLN 251 CO 0.46 -0.38 0.29 1.96 -2.65 0.00 0.00 178.83 178.51 3i99 h GLN 252 N -0.58 0.44 -0.45 1.69 4.20 -1.99 0.20 115.11 118.61 3i99 h GLN 252 Ca -0.02 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.67 3i99 h GLN 252 Cb 0.52 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3i99 h GLN 252 CO -0.03 0.29 0.29 0.00 -0.67 0.00 0.00 178.83 178.71 3i99 h ALA 253 N 1.52 0.57 -0.57 3.87 0.00 -1.86 -0.43 119.26 122.36 3i99 h ALA 253 Ca 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3i99 h ALA 253 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3i99 h ALA 253 CO -0.38 0.01 0.32 0.35 0.00 0.00 0.00 179.25 179.55 3i99 h PHE 254 N 0.60 0.77 -0.85 0.00 3.57 -0.32 -2.06 116.94 118.65 3i99 h PHE 254 Ca 0.17 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3i99 h PHE 254 Cb -0.06 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 3i99 h PHE 254 CO -0.05 0.55 0.51 0.00 -2.23 0.00 0.00 178.31 177.10 3i99 h ALA 255 N 1.15 1.08 -0.14 2.41 0.00 -0.07 0.59 119.26 124.28 3i99 h ALA 255 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i99 h ALA 255 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3i99 h ALA 255 CO -0.03 0.54 -0.09 -0.09 0.00 0.00 0.00 179.25 179.57 3i99 h ARG 256 N 1.16 -0.09 -0.41 0.00 2.43 -0.88 -1.82 114.38 114.77 3i99 h ARG 256 Ca 0.30 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3i99 h ARG 256 Cb -0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3i99 h ARG 256 CO -0.06 -0.06 0.16 1.25 -1.51 0.00 0.00 179.97 179.75 3i99 h LEU 257 N -0.10 0.20 -1.10 3.80 7.12 -1.00 -2.03 115.31 122.20 3i99 h LEU 257 Ca 0.09 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.13 3i99 h LEU 257 Cb 0.22 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 3i99 h LEU 257 CO -0.20 0.15 0.00 -0.61 -0.13 0.00 0.00 178.44 177.65 3i99 h GLN 258 N 0.34 0.00 -0.28 1.25 4.15 -0.57 -0.36 115.11 119.64 3i99 h GLN 258 Ca 0.19 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 3i99 h GLN 258 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3i99 h GLN 258 CO -0.17 0.00 -0.15 0.82 -1.93 0.00 0.00 178.83 177.40 3i99 h ILE 259 N 0.00 1.30 0.00 2.39 2.04 -0.56 -2.40 117.51 120.27 3i99 h ILE 259 Ca 0.00 -1.24 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 3i99 h ILE 259 Cb 0.34 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3i99 h ILE 259 CO 0.00 0.39 -0.43 -0.33 0.00 0.00 0.00 178.15 177.78 3i99 h GLU 260 N 0.34 0.00 -2.45 2.37 5.08 -1.53 -3.39 114.58 115.00 3i99 h GLU 260 Ca 0.06 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.83 3i99 h GLU 260 Cb 0.67 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.52 3i99 h GLU 260 CO 0.04 0.43 -0.86 0.72 -1.00 0.00 0.00 179.01 178.35 3i99 n HIS 261 N -3.21 0.74 0.31 4.33 8.25 -0.19 -4.94 115.22 120.51 3i99 n HIS 261 Ca 0.02 -3.70 0.18 0.00 -0.26 0.00 0.00 57.72 53.96 3i99 n HIS 261 Cb 0.71 -0.17 1.02 0.00 1.12 0.00 0.00 29.99 32.67 3i99 n HIS 261 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i99 h PRO 262 N 5.08 0.00 0.00 -0.41 0.13 -1.63 -2.10 132.00 133.07 3i99 h PRO 262 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3i99 h PRO 262 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3i99 h PRO 262 CO 0.53 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 3i99 n ASP 263 N -3.48 0.43 -4.73 1.44 3.85 -1.26 -4.97 116.55 107.83 3i99 n ASP 263 Ca -0.03 0.58 -0.42 0.00 -0.71 0.00 0.00 54.79 54.21 3i99 n ASP 263 Cb 0.10 -0.68 -0.02 0.00 -1.35 0.00 0.00 41.12 39.17 3i99 n ASP 263 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3i99 n VAL 264 N -1.95 0.72 -3.30 2.12 3.14 -0.79 -4.97 118.33 113.31 3i99 n VAL 264 Ca 0.04 -0.18 -0.38 0.00 -2.96 0.00 0.00 64.34 60.86 3i99 n VAL 264 Cb 0.28 -1.91 -0.06 0.00 -1.06 0.00 0.00 33.84 31.09 3i99 n VAL 264 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3i99 s VAL 265 N 0.32 4.90 0.21 1.55 1.01 -1.26 -5.03 120.40 122.10 3i99 s VAL 265 Ca 0.68 1.13 0.10 0.00 0.00 0.00 0.00 61.98 63.89 3i99 s VAL 265 Cb -0.52 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3i99 s VAL 265 CO 0.44 0.49 -0.20 0.00 0.00 0.00 0.00 175.10 175.83 3i99 s ALA 266 N -0.60 2.38 0.13 5.51 0.00 -1.26 -0.35 121.76 127.57 3i99 s ALA 266 Ca 0.28 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.64 3i99 s ALA 266 Cb -0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3i99 s ALA 266 CO 0.16 0.30 -0.12 0.71 0.00 0.00 0.00 175.76 176.81 3i99 s TYR 267 N -2.11 1.35 0.69 0.00 2.02 0.22 -4.84 117.35 114.67 3i99 s TYR 267 Ca 0.22 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 3i99 s TYR 267 Cb -0.06 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3i99 s TYR 267 CO 0.10 0.13 1.17 -2.14 -1.57 0.00 0.00 175.55 173.23 3i99 s PRO 268 N -3.10 2.50 -0.10 -1.71 0.02 -1.26 -2.54 135.00 128.80 3i99 s PRO 268 Ca 0.12 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3i99 s PRO 268 Cb -0.02 -1.89 0.08 0.00 0.02 0.00 0.00 34.50 32.69 3i99 s PRO 268 CO 0.02 -1.53 0.74 0.00 -0.33 0.00 0.00 177.00 175.91 3i99 s ALA 269 N -2.08 -1.80 -0.07 -1.55 0.00 -1.26 -4.58 121.76 110.41 3i99 s ALA 269 Ca 0.72 1.45 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 3i99 s ALA 269 Cb -0.26 -0.28 -0.19 0.00 0.00 0.00 0.00 23.12 22.39 3i99 s ALA 269 CO 0.42 -0.35 0.92 0.93 0.00 0.00 0.00 175.76 177.68 3i99 h GLU 270 N 3.19 -0.08 -6.07 0.00 5.08 -2.01 -3.42 114.58 111.26 3i99 h GLU 270 Ca -0.26 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.53 3i99 h GLU 270 Cb 1.15 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 3i99 h GLU 270 CO 0.33 0.51 0.75 -0.65 -1.00 0.00 0.00 179.01 178.95 3i99 s GLN 271 N -3.24 4.27 1.45 2.33 -0.21 -1.26 -4.94 119.66 118.06 3i99 s GLN 271 Ca -0.15 1.33 0.00 0.00 0.02 0.00 0.00 55.36 56.56 3i99 s GLN 271 Cb -0.00 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.38 3i99 s GLN 271 CO 0.58 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 3i99 n GLY 272 N 3.33 0.77 3.55 3.09 0.00 -1.26 -4.80 105.19 109.87 3i99 n GLY 272 Ca 0.11 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3i99 n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i99 s VAL 273 N 0.00 3.67 -0.23 1.61 1.01 0.48 -4.24 120.40 122.70 3i99 s VAL 273 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3i99 s VAL 273 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3i99 s VAL 273 CO 0.00 0.57 0.37 -0.75 0.00 0.00 0.00 175.10 175.29 3i99 s LYS 274 N -0.52 4.11 -0.13 2.72 2.20 -1.05 0.15 119.74 127.22 3i99 s LYS 274 Ca 0.08 0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.72 3i99 s LYS 274 Cb -0.12 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 3i99 s LYS 274 CO 0.02 -0.11 0.14 0.54 -0.36 0.00 0.00 175.35 175.57 3i99 s VAL 275 N 1.56 5.48 -0.40 4.02 0.11 -0.09 0.70 120.40 131.78 3i99 s VAL 275 Ca 0.17 0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 59.13 3i99 s VAL 275 Cb -0.15 -3.40 -0.00 0.00 -1.53 0.00 0.00 36.38 31.30 3i99 s VAL 275 CO 0.08 0.60 1.62 0.00 -3.33 0.00 0.00 175.10 174.07 3i99 s ALA 276 N -0.89 2.89 0.37 1.54 0.00 0.53 -3.63 121.76 122.57 3i99 s ALA 276 Ca 0.14 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.16 3i99 s ALA 276 Cb -0.12 -4.01 0.72 0.00 0.00 0.00 0.00 23.12 19.71 3i99 s ALA 276 CO 0.03 -2.63 1.89 0.00 0.00 0.00 0.00 175.76 175.05 3i99 h ALA 277 N 12.00 1.44 -0.34 0.00 0.00 -1.89 -2.37 119.26 128.12 3i99 h ALA 277 Ca -0.30 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.45 3i99 h ALA 277 Cb 1.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3i99 h ALA 277 CO 1.07 0.39 -0.13 0.78 0.00 0.00 0.00 179.25 181.36 3i99 h GLY 278 N 0.80 0.16 0.90 0.00 0.00 -1.92 0.27 103.07 103.28 3i99 h GLY 278 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.56 3i99 h GLY 278 CO 0.02 -0.16 0.12 -0.25 0.00 0.00 0.00 176.54 176.27 3i99 h TRP 279 N -0.07 0.22 -0.37 5.60 7.01 -1.89 -0.20 115.95 126.26 3i99 h TRP 279 Ca 0.17 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.24 3i99 h TRP 279 Cb 0.32 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 3i99 h TRP 279 CO -0.35 0.12 0.02 -0.07 -2.79 0.00 0.00 178.44 175.37 3i99 h LEU 280 N 0.25 -0.10 -0.52 0.65 4.07 -0.90 0.00 115.31 118.76 3i99 h LEU 280 Ca 0.09 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 3i99 h LEU 280 Cb 0.02 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3i99 h LEU 280 CO -0.06 -0.02 -0.06 0.40 -1.08 0.00 0.00 178.44 177.62 3i99 h ILE 281 N 0.13 1.27 -0.26 1.22 2.04 -0.79 0.34 117.51 121.46 3i99 h ILE 281 Ca 0.18 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3i99 h ILE 281 Cb 0.24 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3i99 h ILE 281 CO -0.28 0.42 0.04 -0.78 0.00 0.00 0.00 178.15 177.55 3i99 h ASP 282 N 0.83 0.41 0.57 1.72 1.82 -0.76 -1.52 116.42 119.48 3i99 h ASP 282 Ca 0.14 -0.26 -0.08 0.00 -0.39 0.00 0.00 57.03 56.43 3i99 h ASP 282 Cb 0.61 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 3i99 h ASP 282 CO 0.04 0.57 -0.40 1.56 -1.61 0.00 0.00 179.24 179.40 3i99 h GLN 283 N 0.24 0.00 0.00 0.28 1.08 -0.86 -0.21 115.11 115.63 3i99 h GLN 283 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3i99 h GLN 283 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3i99 h GLN 283 CO 0.01 0.40 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 3i99 n ALA 284 N -2.39 2.20 -3.07 3.87 0.00 0.10 -4.86 120.51 116.37 3i99 n ALA 284 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 3i99 n ALA 284 Cb 0.46 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.64 3i99 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i99 n GLY 285 N 0.20 -0.08 0.01 0.00 0.00 -0.09 -4.98 105.19 100.25 3i99 n GLY 285 Ca 0.14 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3i99 n GLY 285 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i99 n LEU 286 N -3.27 0.71 -4.63 0.99 7.99 -0.60 -4.93 117.00 113.26 3i99 n LEU 286 Ca -0.02 -0.20 -0.49 0.00 -0.01 0.00 0.00 56.01 55.28 3i99 n LEU 286 Cb 0.55 -0.11 -0.05 0.00 -0.11 0.00 0.00 43.42 43.71 3i99 n LEU 286 CO 0.39 0.15 1.03 0.29 -1.51 0.00 0.00 177.39 177.74 3i99 n LYS 287 N -1.63 1.60 -0.49 3.23 5.02 -1.26 -1.02 118.16 123.61 3i99 n LYS 287 Ca 0.04 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3i99 n LYS 287 Cb 0.36 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 3i99 n LYS 287 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i99 n GLY 288 N 2.88 1.90 3.73 0.72 0.00 0.31 -4.92 105.19 109.81 3i99 n GLY 288 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i99 n GLY 288 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i99 s HIS 289 N -3.45 3.22 -0.02 1.61 5.04 -0.19 -4.61 115.29 116.89 3i99 s HIS 289 Ca 0.00 1.06 0.08 0.00 -1.54 0.00 0.00 55.06 54.66 3i99 s HIS 289 Cb 0.00 -3.67 -0.02 0.00 0.04 0.00 0.00 32.58 28.93 3i99 s HIS 289 CO 0.00 -2.24 -0.26 -0.65 -2.34 0.00 0.00 174.74 169.25 3i99 s GLN 290 N 0.43 2.09 -0.10 2.88 -0.21 -1.26 -1.15 119.66 122.34 3i99 s GLN 290 Ca 0.61 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3i99 s GLN 290 Cb -0.37 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 31.64 3i99 s GLN 290 CO 0.35 0.55 -0.09 0.42 -2.12 0.00 0.00 175.29 174.41 3i99 s ILE 291 N -0.60 1.04 0.00 1.08 1.01 0.21 -5.00 121.20 118.94 3i99 s ILE 291 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3i99 s ILE 291 Cb -0.10 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.34 3i99 s ILE 291 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3i99 n GLY 292 N 4.62 3.57 0.85 6.18 0.00 -1.26 -1.27 105.19 117.88 3i99 n GLY 292 Ca -0.16 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3i99 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i99 n GLY 293 N 0.00 1.02 3.62 -0.02 0.00 -1.26 -4.90 105.19 103.65 3i99 n GLY 293 Ca 0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 3i99 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i99 s ALA 294 N -1.60 3.28 -0.00 4.61 0.00 -0.39 0.08 121.76 127.73 3i99 s ALA 294 Ca 0.35 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 3i99 s ALA 294 Cb 0.19 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 3i99 s ALA 294 CO 0.28 0.34 0.02 0.21 0.00 0.00 0.00 175.76 176.60 3i99 s LYS 295 N -0.09 0.06 -0.29 0.00 2.20 -0.45 -0.62 119.74 120.55 3i99 s LYS 295 Ca 0.05 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.32 3i99 s LYS 295 Cb -0.12 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 3i99 s LYS 295 CO 0.02 -0.01 1.45 0.08 -0.36 0.00 0.00 175.35 176.53 3i99 s VAL 296 N -0.17 3.92 0.06 4.02 1.01 -0.30 -0.38 120.40 128.56 3i99 s VAL 296 Ca -0.02 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3i99 s VAL 296 Cb -0.01 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 3i99 s VAL 296 CO -0.00 -0.45 1.79 -2.28 0.00 0.00 0.00 175.10 174.16 3i99 s HIS 297 N 4.93 1.99 0.40 5.22 2.46 -0.76 -0.53 115.29 129.00 3i99 s HIS 297 Ca 0.63 -0.00 0.39 0.00 0.47 0.00 0.00 55.06 56.55 3i99 s HIS 297 Cb -0.19 -4.10 1.91 0.00 -0.13 0.00 0.00 32.58 30.07 3i99 s HIS 297 CO 0.27 -4.62 2.19 -1.35 -2.47 0.00 0.00 174.74 168.76 3i99 h PRO 298 N 9.14 0.00 -0.00 2.88 0.11 -1.91 -2.97 132.00 139.25 3i99 h PRO 298 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i99 h PRO 298 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i99 h PRO 298 CO 0.94 0.00 -0.52 1.63 -0.21 0.00 0.00 178.00 179.84 3i99 n LYS 299 N -3.10 0.32 -3.11 1.05 5.02 -1.26 -4.59 118.16 112.49 3i99 n LYS 299 Ca -0.01 -0.21 0.03 0.00 -2.02 0.00 0.00 58.31 56.10 3i99 n LYS 299 Cb 0.19 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3i99 n LYS 299 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3i99 s GLN 300 N -2.83 0.50 0.00 1.97 -0.44 -1.13 -4.92 119.66 112.81 3i99 s GLN 300 Ca 0.15 0.12 0.25 0.00 -2.50 0.00 0.00 55.36 53.37 3i99 s GLN 300 Cb 0.18 0.13 1.16 0.00 -1.64 0.00 0.00 33.01 32.83 3i99 s GLN 300 CO 0.67 -0.81 1.81 0.00 0.50 0.00 0.00 175.29 177.46 3i99 n ALA 301 N 4.77 2.19 0.42 1.58 0.00 -1.19 -2.01 120.51 126.27 3i99 n ALA 301 Ca 0.08 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3i99 n ALA 301 Cb 0.57 -1.40 0.40 0.00 0.00 0.00 0.00 19.45 19.03 3i99 n ALA 301 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i99 h LEU 302 N 0.00 0.00 -8.70 0.00 3.38 -1.87 -3.44 115.31 104.68 3i99 h LEU 302 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3i99 h LEU 302 Cb 0.31 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 3i99 h LEU 302 CO 0.00 0.00 -0.04 -0.69 0.09 0.00 0.00 178.44 177.80 3i99 s VAL 303 N -3.26 4.99 -0.04 1.22 1.01 -0.85 -0.30 120.40 123.17 3i99 s VAL 303 Ca 0.07 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 3i99 s VAL 303 Cb 0.09 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3i99 s VAL 303 CO 0.57 -0.30 0.90 -0.63 0.00 0.00 0.00 175.10 175.64 3i99 s ILE 304 N 2.43 4.91 0.09 2.22 1.01 -1.26 -1.82 121.20 128.78 3i99 s ILE 304 Ca 0.18 1.88 0.08 0.00 0.00 0.00 0.00 60.65 62.80 3i99 s ILE 304 Cb -0.15 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 3i99 s ILE 304 CO 0.14 0.16 -0.18 0.68 0.00 0.00 0.00 174.94 175.75 3i99 s VAL 305 N 1.11 2.85 -0.44 2.92 -7.23 0.49 -4.32 120.40 115.78 3i99 s VAL 305 Ca 0.47 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 3i99 s VAL 305 Cb -0.20 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.49 3i99 s VAL 305 CO 0.24 0.17 0.90 0.21 -0.31 0.00 0.00 175.10 176.31 3i99 s ASN 306 N -1.93 6.52 0.00 4.85 3.84 0.20 -1.34 114.94 127.08 3i99 s ASN 306 Ca 0.17 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.56 3i99 s ASN 306 Cb -0.11 -2.44 0.93 0.00 -0.55 0.00 0.00 41.25 39.08 3i99 s ASN 306 CO 0.09 -0.98 1.49 0.35 -2.79 0.00 0.00 177.10 175.25 3i99 n THR 307 N 6.28 0.00 0.00 -5.21 -2.24 0.11 -3.67 114.28 109.55 3i99 n THR 307 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3i99 n THR 307 Cb 0.48 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3i99 n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i99 n GLY 308 N 0.55 3.78 0.24 3.38 0.00 -1.26 -4.96 105.19 106.92 3i99 n GLY 308 Ca 0.12 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.63 3i99 n GLY 308 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i99 n ASP 309 N 0.00 1.12 -4.63 1.61 8.00 -1.26 -5.06 116.55 116.32 3i99 n ASP 309 Ca 0.00 -2.36 -0.43 0.00 0.71 0.00 0.00 54.79 52.71 3i99 n ASP 309 Cb 0.00 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 3i99 n ASP 309 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i99 n ALA 310 N -0.62 0.40 -2.32 2.24 0.00 -1.26 -4.48 120.51 114.47 3i99 n ALA 310 Ca 0.06 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3i99 n ALA 310 Cb 0.62 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.97 3i99 n ALA 310 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i99 s SER 311 N -0.48 5.81 0.32 0.00 1.04 -1.26 -4.63 113.70 114.50 3i99 s SER 311 Ca 0.58 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 57.17 3i99 s SER 311 Cb -0.64 -1.41 0.52 0.00 0.10 0.00 0.00 66.02 64.59 3i99 s SER 311 CO 0.61 -0.69 1.97 0.00 0.98 0.00 0.00 173.24 176.11 3i99 h ALA 312 N 0.46 1.47 -0.87 5.32 0.00 -1.91 -2.22 119.26 121.51 3i99 h ALA 312 Ca -0.46 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.49 3i99 h ALA 312 Cb 1.26 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3i99 h ALA 312 CO 0.56 0.47 0.57 1.96 0.00 0.00 0.00 179.25 182.81 3i99 h GLN 313 N 1.02 0.87 -0.28 0.00 7.50 -1.93 0.15 115.11 122.44 3i99 h GLN 313 Ca 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.39 3i99 h GLN 313 Cb -0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 3i99 h GLN 313 CO -0.07 0.57 0.15 -0.44 -1.50 0.00 0.00 178.83 177.54 3i99 h ASP 314 N 0.89 0.36 -0.28 1.46 3.32 -1.71 -3.10 116.42 117.37 3i99 h ASP 314 Ca 0.40 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 3i99 h ASP 314 Cb 0.35 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3i99 h ASP 314 CO -0.16 0.36 -0.04 0.58 -1.72 0.00 0.00 179.24 178.26 3i99 h VAL 315 N 0.34 1.27 0.00 -1.35 2.07 -1.13 1.00 116.25 118.45 3i99 h VAL 315 Ca 0.10 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3i99 h VAL 315 Cb 0.09 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3i99 h VAL 315 CO -0.01 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.08 3i99 n LEU 316 N -4.54 0.67 0.00 2.57 4.77 0.42 -0.61 117.00 120.28 3i99 n LEU 316 Ca -0.03 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3i99 n LEU 316 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3i99 n LEU 316 CO 0.39 0.11 0.00 -0.11 -1.33 0.00 0.00 177.39 176.46 3i99 n LEU 318 N 0.83 0.00 -0.23 2.23 7.94 0.34 -1.15 117.00 126.96 3i99 n LEU 318 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3i99 n LEU 318 Cb 0.11 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.17 3i99 n LEU 318 CO 0.00 0.00 0.78 0.00 -1.11 0.00 0.00 177.39 177.06 3i99 h ALA 319 N 0.00 0.59 -0.86 1.96 0.00 -1.10 0.34 119.26 120.19 3i99 h ALA 319 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i99 h ALA 319 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i99 h ALA 319 CO 0.00 -0.42 0.55 0.00 0.00 0.00 0.00 179.25 179.38 3i99 h ALA 320 N 1.65 1.10 -0.64 0.00 0.00 -1.39 -1.50 119.26 118.48 3i99 h ALA 320 Ca 0.35 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3i99 h ALA 320 Cb 0.57 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3i99 h ALA 320 CO -0.64 0.53 0.13 0.22 0.00 0.00 0.00 179.25 179.49 3i99 h ASP 321 N 1.18 0.98 0.20 0.00 3.58 -1.29 -0.87 116.42 120.20 3i99 h ASP 321 Ca 0.31 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3i99 h ASP 321 Cb -0.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.69 3i99 h ASP 321 CO -0.06 0.96 -0.09 0.40 -2.88 0.00 0.00 179.24 177.56 3i99 h ILE 322 N 0.97 0.85 -0.82 2.25 2.04 -0.70 -1.49 117.51 120.61 3i99 h ILE 322 Ca 0.20 -0.93 0.20 0.00 1.00 0.00 0.00 64.86 65.33 3i99 h ILE 322 Cb 0.38 1.35 -0.13 0.00 -0.74 0.00 0.00 36.82 37.68 3i99 h ILE 322 CO 0.01 0.19 0.18 -0.61 0.00 0.00 0.00 178.15 177.91 3i99 h GLN 323 N -0.78 0.20 0.52 2.37 4.15 -1.31 0.40 115.11 120.67 3i99 h GLN 323 Ca -0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3i99 h GLN 323 Cb 0.51 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.16 3i99 h GLN 323 CO 0.04 0.13 -0.25 0.37 -1.93 0.00 0.00 178.83 177.20 3i99 h GLN 324 N 0.21 -0.67 -0.22 1.69 5.75 -1.04 -0.89 115.11 119.93 3i99 h GLN 324 Ca 0.49 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 59.04 3i99 h GLN 324 Cb 0.93 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3i99 h GLN 324 CO -0.62 -0.45 0.14 -0.09 -2.65 0.00 0.00 178.83 175.16 3i99 h ARG 325 N -0.70 0.30 -0.73 1.69 9.65 -0.86 -1.93 114.38 121.79 3i99 h ARG 325 Ca -0.07 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3i99 h ARG 325 Cb 0.54 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 3i99 h ARG 325 CO 0.12 0.21 0.46 0.28 2.80 0.00 0.00 179.97 183.84 3i99 h VAL 326 N 0.29 1.10 -0.20 0.20 2.07 -0.16 -1.22 116.25 118.33 3i99 h VAL 326 Ca 0.08 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3i99 h VAL 326 Cb -0.02 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3i99 h VAL 326 CO -0.02 0.16 0.07 0.15 0.02 0.00 0.00 177.57 177.96 3i99 h PHE 327 N 0.90 0.27 0.06 1.57 3.57 -0.88 -1.83 116.94 120.60 3i99 h PHE 327 Ca 0.29 -0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.54 3i99 h PHE 327 Cb 0.02 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 38.69 3i99 h PHE 327 CO -0.04 0.23 -1.00 -0.91 -2.23 0.00 0.00 178.31 174.36 3i99 h ASN 328 N 0.28 0.78 0.56 0.41 2.35 -0.46 0.69 115.58 120.18 3i99 h ASN 328 Ca 0.07 -0.80 -0.08 0.00 -0.55 0.00 0.00 56.30 54.94 3i99 h ASN 328 Cb 0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3i99 h ASN 328 CO -0.01 1.48 -0.39 0.00 -1.65 0.00 0.00 177.43 176.87 3i99 n TYR 330 N -3.82 0.00 -1.31 0.00 4.01 -0.71 -5.01 117.16 110.33 3i99 n TYR 330 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3i99 n TYR 330 Cb 0.45 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.44 3i99 n TYR 330 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i99 n GLY 331 N 0.07 1.16 3.61 2.72 0.00 0.24 -4.98 105.19 108.00 3i99 n GLY 331 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3i99 n GLY 331 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i99 s ILE 332 N -2.28 3.91 -0.42 -0.61 1.01 -1.25 -4.97 121.20 116.59 3i99 s ILE 332 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 3i99 s ILE 332 Cb 0.00 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.96 3i99 s ILE 332 CO 0.00 0.59 0.24 -0.70 0.00 0.00 0.00 174.94 175.07 3i99 s GLU 333 N -0.75 2.11 0.16 2.79 2.56 -1.26 -2.84 118.70 121.48 3i99 s GLU 333 Ca 0.11 -1.81 -0.32 0.00 0.00 0.00 0.00 54.97 52.96 3i99 s GLU 333 Cb -0.11 -3.66 -0.10 0.00 2.00 0.00 0.00 34.13 32.25 3i99 s GLU 333 CO 0.02 -1.10 1.60 -0.51 -0.56 0.00 0.00 175.26 174.71 3i99 s LEU 334 N 1.19 4.37 -0.25 2.70 1.43 -1.26 -4.96 118.68 121.90 3i99 s LEU 334 Ca 0.08 2.65 -0.09 0.00 -1.03 0.00 0.00 54.13 55.73 3i99 s LEU 334 Cb -0.24 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3i99 s LEU 334 CO -0.03 -0.86 0.13 -1.61 0.23 0.00 0.00 176.35 174.21 3i99 s GLU 335 N 1.30 3.87 0.32 1.70 2.02 -1.26 -4.98 118.70 121.66 3i99 s GLU 335 Ca 0.71 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 3i99 s GLU 335 Cb -0.44 -3.47 -0.12 0.00 0.10 0.00 0.00 34.13 30.19 3i99 s GLU 335 CO 0.31 -0.10 1.39 -2.39 0.02 0.00 0.00 175.26 174.50 3i99 n HIS 336 N 4.72 2.45 -0.06 1.61 1.44 -1.26 -0.55 115.22 123.56 3i99 n HIS 336 Ca -0.15 0.47 -0.06 0.00 -2.01 0.00 0.00 57.72 55.97 3i99 n HIS 336 Cb 0.52 -2.47 -0.15 0.00 0.12 0.00 0.00 29.99 28.01 3i99 n HIS 336 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3i99 n GLU 337 N 1.09 0.67 -2.22 -1.40 2.13 0.11 -4.69 120.64 116.33 3i99 n GLU 337 Ca 0.06 0.02 -0.40 0.00 0.66 0.00 0.00 57.16 57.51 3i99 n GLU 337 Cb 0.36 -1.58 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 3i99 n GLU 337 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i99 s VAL 338 N -2.69 2.97 -0.06 6.31 1.01 -1.20 -4.99 120.40 121.75 3i99 s VAL 338 Ca -0.08 0.90 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 3i99 s VAL 338 Cb 0.08 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3i99 s VAL 338 CO 0.84 0.16 0.66 -0.13 0.00 0.00 0.00 175.10 176.63 3i99 s ARG 339 N -1.99 4.42 -0.32 2.72 1.81 0.14 -4.91 118.95 120.82 3i99 s ARG 339 Ca 0.52 0.81 -0.17 0.00 -1.72 0.00 0.00 55.73 55.18 3i99 s ARG 339 Cb -0.35 -3.43 -0.01 0.00 -0.45 0.00 0.00 34.95 30.70 3i99 s ARG 339 CO 0.45 0.12 0.44 -0.06 -0.68 0.00 0.00 175.30 175.57 3i99 s PHE 340 N 0.64 3.21 -0.11 -0.53 0.08 -1.26 -0.97 117.98 119.03 3i99 s PHE 340 Ca 0.35 0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.46 3i99 s PHE 340 Cb -0.18 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.47 3i99 s PHE 340 CO 0.17 -0.42 0.37 0.42 -0.10 0.00 0.00 175.22 175.66 3i99 s ILE 341 N 2.21 5.22 0.00 0.64 -1.09 0.76 -0.11 121.20 128.83 3i99 s ILE 341 Ca 0.16 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 3i99 s ILE 341 Cb -0.16 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3i99 s ILE 341 CO 0.12 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3i99 n GLY 342 N 2.96 1.99 0.27 6.18 0.00 -0.33 -1.91 105.19 114.34 3i99 n GLY 342 Ca -0.11 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.10 3i99 n GLY 342 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i99 h GLU 343 N 0.00 0.20 0.00 1.61 5.08 -1.89 -3.40 114.58 116.18 3i99 h GLU 343 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i99 h GLU 343 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i99 h GLU 343 CO 0.00 0.18 -0.38 0.43 -1.00 0.00 0.00 179.01 178.24 3i99 n SER 344 N -4.46 1.54 -2.47 1.42 7.64 -1.26 -0.27 113.62 115.76 3i99 n SER 344 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 3i99 n SER 344 Cb 0.12 0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3i99 n SER 344 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3i99 n GLU 345 N -1.85 0.93 -1.66 1.43 0.28 -1.26 -4.67 120.64 113.84 3i99 n GLU 345 Ca 0.00 -1.84 -0.38 0.00 -0.16 0.00 0.00 57.16 54.78 3i99 n GLU 345 Cb 0.19 2.28 0.06 0.00 1.43 0.00 0.00 31.44 35.40 3i99 n GLU 345 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3i99 n GLU 346 N -0.44 1.03 -4.61 3.44 1.02 -1.26 -1.19 120.64 118.63 3i99 n GLU 346 Ca -0.07 0.40 -0.28 0.00 -0.02 0.00 0.00 57.16 57.19 3i99 n GLU 346 Cb 0.49 -2.31 -0.10 0.00 -0.02 0.00 0.00 31.44 29.49 3i99 n GLU 346 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i99 s THR 347 N -1.45 1.62 0.00 2.62 -4.23 0.84 -4.72 115.64 110.32 3i99 s THR 347 Ca 0.78 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3i99 s THR 347 Cb -0.41 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3i99 s THR 347 CO 0.45 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.12