#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2x n SER 1 N 0.00 -1.07 -1.59 1.61 2.88 -1.26 -5.10 113.62 109.10 3i2x n SER 1 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i2x n SER 1 Cb 0.00 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 3i2x n SER 1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i2x n HIS 2 N 1.02 -4.10 -4.01 0.66 -0.00 -1.26 -5.12 115.22 102.40 3i2x n HIS 2 Ca 0.00 2.13 -0.11 0.00 -0.00 0.00 0.00 57.72 59.75 3i2x n HIS 2 Cb 0.00 -3.36 -0.11 0.00 -0.00 0.00 0.00 29.99 26.51 3i2x n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3i2x s MET 3 N -2.43 0.40 -1.23 -1.40 1.00 -1.26 -4.75 119.30 109.62 3i2x s MET 3 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 55.69 55.02 3i2x s MET 3 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 34.83 34.78 3i2x s MET 3 CO 0.00 -0.01 0.00 -0.25 0.00 0.00 0.00 175.02 174.76 3i2x n ASP 4 N 1.55 -4.34 0.26 3.03 9.92 -1.26 -4.86 116.55 120.85 3i2x n ASP 4 Ca -0.23 0.24 0.14 0.00 -0.53 0.00 0.00 54.79 54.41 3i2x n ASP 4 Cb 0.55 -3.00 0.64 0.00 -0.64 0.00 0.00 41.12 38.67 3i2x n ASP 4 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3i2x h ASP 5 N 0.00 0.00 -4.44 -2.24 5.19 -1.96 -3.43 116.42 109.55 3i2x h ASP 5 Ca -0.25 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.81 3i2x h ASP 5 Cb 0.85 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.22 3i2x h ASP 5 CO 0.35 0.12 -0.62 -1.81 -3.12 0.00 0.00 179.24 174.17 3i2x s ASP 6 N -5.97 1.24 0.18 6.45 1.01 -1.26 -2.15 116.67 116.18 3i2x s ASP 6 Ca -0.01 -1.37 -0.31 0.00 0.71 0.00 0.00 52.55 51.57 3i2x s ASP 6 Cb 0.11 0.15 -0.09 0.00 1.01 0.00 0.00 42.92 44.10 3i2x s ASP 6 CO 0.58 -0.72 1.40 -0.76 0.21 0.00 0.00 175.17 175.88 3i2x s LEU 7 N -3.32 4.39 -0.01 1.23 1.43 0.11 -4.65 118.68 117.86 3i2x s LEU 7 Ca 0.37 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.97 3i2x s LEU 7 Cb 0.08 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3i2x s LEU 7 CO 0.13 -0.65 -0.09 -0.69 0.23 0.00 0.00 176.35 175.29 3i2x s VAL 8 N 0.54 3.49 0.00 -1.59 1.01 -1.26 0.11 120.40 122.70 3i2x s VAL 8 Ca 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3i2x s VAL 8 Cb -0.39 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3i2x s VAL 8 CO 0.36 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 174.99 3i2x n ASP 9 N 1.71 0.00 0.11 3.32 5.68 0.47 -4.76 116.55 123.08 3i2x n ASP 9 Ca -0.16 -0.85 -0.02 0.00 -0.50 0.00 0.00 54.79 53.26 3i2x n ASP 9 Cb 0.52 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.71 3i2x n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i2x h ALA 10 N -1.11 1.05 -0.15 2.12 0.00 0.97 -2.49 119.26 119.64 3i2x h ALA 10 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i2x h ALA 10 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i2x h ALA 10 CO 0.00 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.28 3i2x n GLU 11 N -3.96 1.37 -2.22 0.00 1.02 -1.26 -4.87 120.64 110.72 3i2x n GLU 11 Ca -0.02 -0.58 -0.06 0.00 -0.02 0.00 0.00 57.16 56.49 3i2x n GLU 11 Cb 0.53 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3i2x n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i2x n GLY 12 N 0.78 0.21 3.40 0.62 0.00 -0.94 -5.05 105.19 104.20 3i2x n GLY 12 Ca 0.06 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3i2x n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2x s ASN 13 N -2.80 3.04 0.51 1.61 0.01 -1.26 -4.86 114.94 111.19 3i2x s ASN 13 Ca 0.03 -1.01 -0.23 0.00 -0.71 0.00 0.00 52.86 50.94 3i2x s ASN 13 Cb -0.01 -0.21 -0.06 0.00 0.41 0.00 0.00 41.25 41.38 3i2x s ASN 13 CO 0.03 -0.06 1.36 -0.76 -1.51 0.00 0.00 177.10 176.16 3i2x s LEU 14 N -3.32 3.95 -0.10 0.60 1.43 -1.26 0.18 118.68 120.15 3i2x s LEU 14 Ca 0.25 2.77 -0.27 0.00 -1.03 0.00 0.00 54.13 55.85 3i2x s LEU 14 Cb -0.03 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 3i2x s LEU 14 CO 0.10 -1.39 0.90 -0.69 0.23 0.00 0.00 176.35 175.50 3i2x s VAL 15 N -1.29 4.87 0.17 -1.59 1.01 0.30 -4.63 120.40 119.25 3i2x s VAL 15 Ca 0.68 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 64.19 3i2x s VAL 15 Cb -0.40 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 3i2x s VAL 15 CO 0.49 0.08 1.09 -0.70 0.00 0.00 0.00 175.10 176.07 3i2x s GLU 16 N 1.65 4.60 -0.45 2.72 2.56 -1.26 -3.88 118.70 124.64 3i2x s GLU 16 Ca 0.45 1.70 -0.27 0.00 0.00 0.00 0.00 54.97 56.84 3i2x s GLU 16 Cb -0.18 -3.28 -0.03 0.00 2.00 0.00 0.00 34.13 32.64 3i2x s GLU 16 CO 0.18 0.08 1.92 1.21 -0.56 0.00 0.00 175.26 178.10 3i2x s ASN 17 N -0.11 5.46 0.00 -1.70 2.47 -0.66 -1.89 114.94 118.51 3i2x s ASN 17 Ca 0.49 0.95 0.00 0.00 0.42 0.00 0.00 52.86 54.72 3i2x s ASN 17 Cb -0.29 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 3i2x s ASN 17 CO 0.35 -2.12 0.00 0.61 -3.72 0.00 0.00 177.10 172.22 3i2x n GLY 18 N 5.61 1.17 3.98 1.21 0.00 0.16 -4.94 105.19 112.38 3i2x n GLY 18 Ca 0.24 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 3i2x n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2x s GLY 19 N -2.31 1.73 -0.24 -0.02 0.00 -0.79 -4.76 107.32 100.93 3i2x s GLY 19 Ca 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.01 3i2x s GLY 19 CO 0.00 -1.44 0.39 -0.51 0.00 0.00 0.00 173.10 171.54 3i2x s THR 20 N -2.25 5.18 0.04 0.90 -4.23 -1.26 -2.66 115.64 111.36 3i2x s THR 20 Ca 0.47 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 3i2x s THR 20 Cb -0.09 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 3i2x s THR 20 CO 0.31 0.19 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.22 3i2x s TYR 21 N 1.75 0.54 -0.06 3.99 1.51 0.78 -1.39 117.35 124.47 3i2x s TYR 21 Ca 0.17 -0.60 -0.17 0.00 -1.01 0.00 0.00 57.07 55.46 3i2x s TYR 21 Cb -0.15 -0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 3i2x s TYR 21 CO 0.09 -0.15 0.45 0.71 -1.11 0.00 0.00 175.55 175.54 3i2x s TYR 22 N -1.86 3.62 -1.15 2.71 1.51 0.17 0.06 117.35 122.42 3i2x s TYR 22 Ca -0.08 0.95 -0.10 0.00 -1.01 0.00 0.00 57.07 56.83 3i2x s TYR 22 Cb -0.07 -2.44 0.25 0.00 -0.11 0.00 0.00 41.96 39.59 3i2x s TYR 22 CO -0.02 0.39 1.22 1.28 -1.11 0.00 0.00 175.55 177.32 3i2x n LEU 23 N 2.79 5.46 -4.86 -1.29 4.32 -1.26 -1.85 117.00 120.30 3i2x n LEU 23 Ca -0.10 -4.87 -0.31 0.00 -0.02 0.00 0.00 56.01 50.71 3i2x n LEU 23 Cb 0.52 -1.52 -0.04 0.00 -1.62 0.00 0.00 43.42 40.76 3i2x n LEU 23 CO 0.41 1.17 0.46 -0.76 -1.22 0.00 0.00 177.39 177.45 3i2x s LEU 24 N -0.48 3.88 0.69 2.23 1.43 -0.94 -3.95 118.68 121.55 3i2x s LEU 24 Ca 0.35 1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 3i2x s LEU 24 Cb -0.08 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 42.09 3i2x s LEU 24 CO -0.05 -0.36 1.06 -2.16 0.23 0.00 0.00 176.35 175.07 3i2x s PRO 25 N -3.61 2.71 -0.00 1.29 0.04 -1.26 -0.49 135.00 133.68 3i2x s PRO 25 Ca 0.53 0.26 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 3i2x s PRO 25 Cb -0.10 -2.08 -0.19 0.00 0.04 0.00 0.00 34.50 32.17 3i2x s PRO 25 CO 0.27 -1.04 1.24 1.25 0.04 0.00 0.00 177.00 178.75 3i2x h HIS 26 N -0.59 0.25 -3.13 0.56 -0.00 -1.72 -3.39 115.15 107.12 3i2x h HIS 26 Ca -0.45 -0.09 -0.75 0.00 -0.00 0.00 0.00 60.37 59.07 3i2x h HIS 26 Cb 1.27 -0.05 -0.25 0.00 -0.00 0.00 0.00 27.41 28.38 3i2x h HIS 26 CO 0.46 0.72 -0.25 0.42 -0.00 0.00 0.00 177.93 179.28 3i2x s ILE 27 N -3.98 5.05 0.08 6.26 1.01 -1.26 -4.99 121.20 123.37 3i2x s ILE 27 Ca -0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 60.65 58.88 3i2x s ILE 27 Cb 0.03 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.30 3i2x s ILE 27 CO 0.73 -0.84 0.64 1.87 0.00 0.00 0.00 174.94 177.34 3i2x n TRP 28 N 5.19 -0.08 0.22 3.97 -0.00 -1.26 -1.50 117.44 123.98 3i2x n TRP 28 Ca -0.13 0.51 0.14 0.00 -0.00 0.00 0.00 57.50 58.02 3i2x n TRP 28 Cb 0.40 -0.60 0.55 0.00 -0.00 0.00 0.00 31.31 31.67 3i2x n TRP 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3i2x h ALA 29 N 0.40 1.85 0.00 5.87 0.00 -1.95 -3.26 119.26 122.16 3i2x h ALA 29 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i2x h ALA 29 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i2x h ALA 29 CO -0.40 -0.73 0.00 0.72 0.00 0.00 0.00 179.25 178.84 3i2x n HIS 30 N -2.99 0.00 -0.14 0.00 8.25 -0.56 -4.93 115.22 114.84 3i2x n HIS 30 Ca 0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3i2x n HIS 30 Cb 0.72 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3i2x n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i2x n GLY 31 N 1.07 -3.59 0.00 -1.41 0.00 -1.23 -4.97 105.19 95.07 3i2x n GLY 31 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3i2x n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2x n GLY 32 N -0.15 1.14 0.00 -0.02 0.00 0.01 -4.43 105.19 101.74 3i2x n GLY 32 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3i2x n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2x n GLY 33 N 5.00 -0.35 3.17 -0.02 0.00 0.34 -4.48 105.19 108.85 3i2x n GLY 33 Ca 0.00 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 3i2x n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2x s ILE 34 N 0.00 1.59 0.00 -0.61 -1.09 -1.24 -1.86 121.20 117.98 3i2x s ILE 34 Ca 0.00 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3i2x s ILE 34 Cb 0.00 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 3i2x s ILE 34 CO 0.00 0.45 0.00 -1.84 -1.23 0.00 0.00 174.94 172.32 3i2x n GLU 35 N 3.03 0.00 -2.84 2.79 -0.00 -0.85 -0.47 120.64 122.29 3i2x n GLU 35 Ca -0.18 0.00 -0.18 0.00 -0.00 0.00 0.00 57.16 56.80 3i2x n GLU 35 Cb 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 32.03 3i2x n GLU 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i2x n THR 36 N 0.00 0.00 -3.63 3.84 -2.24 -1.26 -0.80 114.28 110.19 3i2x n THR 36 Ca 0.00 -1.81 -0.03 0.00 -2.27 0.00 0.00 64.05 59.94 3i2x n THR 36 Cb 0.00 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 3i2x n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2x s ALA 37 N -2.68 -2.10 -0.46 6.98 0.00 -0.26 -4.65 121.76 118.59 3i2x s ALA 37 Ca 0.58 1.83 -0.12 0.00 0.00 0.00 0.00 51.96 54.25 3i2x s ALA 37 Cb -0.05 -1.14 0.09 0.00 0.00 0.00 0.00 23.12 22.02 3i2x s ALA 37 CO 0.37 -0.32 0.34 0.21 0.00 0.00 0.00 175.76 176.35 3i2x s LYS 38 N -1.31 2.73 0.42 0.00 2.20 -1.26 -1.31 119.74 121.21 3i2x s LYS 38 Ca 0.08 -1.52 0.06 0.00 -0.36 0.00 0.00 55.97 54.24 3i2x s LYS 38 Cb -0.01 -3.97 -0.07 0.00 -1.51 0.00 0.00 37.83 32.28 3i2x s LYS 38 CO -0.06 -1.06 0.04 0.95 -0.36 0.00 0.00 175.35 174.86 3i2x s THR 39 N 1.49 1.97 0.00 3.43 -4.23 -1.26 -4.92 115.64 112.12 3i2x s THR 39 Ca 0.04 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3i2x s THR 39 Cb -0.25 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3i2x s THR 39 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3i2x n GLY 40 N -1.05 1.61 0.31 3.99 0.00 -1.26 -2.52 105.19 106.27 3i2x n GLY 40 Ca -0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 3i2x n GLY 40 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3i2x h ASN 41 N 6.30 0.97 -0.07 1.61 -0.00 -2.00 -3.45 115.58 118.94 3i2x h ASN 41 Ca 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 56.30 56.12 3i2x h ASN 41 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.07 3i2x h ASN 41 CO 0.00 0.80 0.07 -0.62 -0.00 0.00 0.00 177.43 177.68 3i2x n GLU 42 N -4.42 0.00 0.11 4.14 1.02 -1.05 -4.79 120.64 115.66 3i2x n GLU 42 Ca 0.07 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 3i2x n GLU 42 Cb 0.11 -0.13 0.38 0.00 -0.02 0.00 0.00 31.44 31.78 3i2x n GLU 42 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i2x h PRO 43 N 0.47 0.00 -3.98 3.49 0.13 -1.88 -3.42 132.00 126.83 3i2x h PRO 43 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 3i2x h PRO 43 Cb 0.12 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.11 3i2x h PRO 43 CO 0.08 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.46 3i2x n PRO 45 N -0.16 0.06 -0.22 0.00 -0.02 -1.26 -4.48 135.00 128.92 3i2x n PRO 45 Ca -0.09 -1.21 0.06 0.00 -2.02 0.00 0.00 63.50 60.25 3i2x n PRO 45 Cb 0.63 -3.06 0.17 0.00 -0.02 0.00 0.00 33.50 31.22 3i2x n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i2x n LEU 46 N 14.84 3.09 -4.47 2.45 4.77 -0.89 -4.35 117.00 132.45 3i2x n LEU 46 Ca 0.32 -2.14 -0.33 0.00 -0.03 0.00 0.00 56.01 53.83 3i2x n LEU 46 Cb 0.46 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 3i2x n LEU 46 CO 0.65 0.73 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.15 3i2x s THR 47 N -1.25 3.55 -0.47 -5.08 2.01 -0.43 -0.84 115.64 113.13 3i2x s THR 47 Ca 0.26 -0.49 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 3i2x s THR 47 Cb 0.15 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 70.18 3i2x s THR 47 CO 0.15 0.52 0.85 -0.69 -0.69 0.00 0.00 174.62 174.76 3i2x s VAL 48 N 0.16 4.56 0.42 3.82 1.01 -1.00 -1.10 120.40 128.27 3i2x s VAL 48 Ca -0.04 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.47 3i2x s VAL 48 Cb -0.14 -4.39 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 3i2x s VAL 48 CO 0.04 -0.83 0.08 0.68 0.00 0.00 0.00 175.10 175.07 3i2x s VAL 49 N 3.52 2.03 -0.13 2.92 -7.23 0.02 -0.02 120.40 121.51 3i2x s VAL 49 Ca 0.32 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 3i2x s VAL 49 Cb -0.12 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 3i2x s VAL 49 CO 0.23 0.00 0.26 -0.60 -0.31 0.00 0.00 175.10 174.68 3i2x s ARG 50 N -3.81 4.06 -0.03 4.82 3.52 -0.11 -2.01 118.95 125.39 3i2x s ARG 50 Ca 0.35 0.06 -0.38 0.00 -0.13 0.00 0.00 55.73 55.63 3i2x s ARG 50 Cb 0.07 -3.35 -0.17 0.00 -1.56 0.00 0.00 34.95 29.93 3i2x s ARG 50 CO 0.18 0.40 1.43 0.43 -0.81 0.00 0.00 175.30 176.94 3i2x n SER 51 N 3.04 1.68 -0.13 -2.12 7.64 -0.78 -4.56 113.62 118.40 3i2x n SER 51 Ca -0.14 1.11 0.02 0.00 1.01 0.00 0.00 58.87 60.87 3i2x n SER 51 Cb 0.52 -1.15 0.31 0.00 -1.01 0.00 0.00 64.21 62.89 3i2x n SER 51 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3i2x h PRO 52 N 5.11 0.80 -5.77 1.43 0.13 -1.95 0.06 132.00 131.82 3i2x h PRO 52 Ca -0.48 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 64.02 3i2x h PRO 52 Cb 1.34 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 3i2x h PRO 52 CO 0.82 0.55 0.01 -0.80 -0.23 0.00 0.00 178.00 178.35 3i2x s ASN 53 N -6.50 6.75 0.46 1.44 0.01 -1.26 -4.55 114.94 111.29 3i2x s ASN 53 Ca -0.10 0.90 0.14 0.00 -0.71 0.00 0.00 52.86 53.09 3i2x s ASN 53 Cb 0.17 -2.34 1.09 0.00 0.41 0.00 0.00 41.25 40.59 3i2x s ASN 53 CO 0.76 -0.13 2.04 -0.33 -1.51 0.00 0.00 177.10 177.93 3i2x h GLU 54 N 7.03 0.29 -0.09 -0.60 3.07 -1.82 -1.19 114.58 121.28 3i2x h GLU 54 Ca -0.37 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 3i2x h GLU 54 Cb 1.17 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3i2x h GLU 54 CO 0.76 0.19 -0.21 0.28 -1.40 0.00 0.00 179.01 178.64 3i2x h VAL 55 N 0.30 1.19 -3.37 3.13 2.07 -1.92 -3.40 116.25 114.25 3i2x h VAL 55 Ca 0.18 -0.90 -0.53 0.00 0.82 0.00 0.00 66.70 66.28 3i2x h VAL 55 Cb 0.34 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3i2x h VAL 55 CO -0.04 0.27 0.49 -0.55 0.02 0.00 0.00 177.57 177.76 3i2x s SER 56 N -6.92 7.21 0.08 0.57 0.15 -0.46 -4.90 113.70 109.43 3i2x s SER 56 Ca -0.05 1.97 0.27 0.00 0.70 0.00 0.00 55.95 58.84 3i2x s SER 56 Cb 0.15 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.75 3i2x s SER 56 CO 0.73 -0.33 1.72 0.29 1.20 0.00 0.00 173.24 176.85 3i2x n LYS 57 N 3.33 0.12 0.00 5.44 5.02 -1.26 -0.51 118.16 130.31 3i2x n LYS 57 Ca 0.06 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3i2x n LYS 57 Cb 0.47 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3i2x n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2x n GLY 58 N 1.42 -0.40 3.80 0.72 0.00 -1.26 -3.43 105.19 106.04 3i2x n GLY 58 Ca 0.06 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 3i2x n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2x s GLU 59 N 0.00 4.31 -0.21 1.61 0.41 0.37 -4.87 118.70 120.33 3i2x s GLU 59 Ca 0.00 0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 55.14 3i2x s GLU 59 Cb 0.00 -3.20 -0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3i2x s GLU 59 CO 0.00 0.59 1.19 -1.25 -0.49 0.00 0.00 175.26 175.30 3i2x s PRO 60 N -1.25 4.20 -0.01 0.39 0.04 -1.26 -4.49 135.00 132.62 3i2x s PRO 60 Ca 0.33 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.87 3i2x s PRO 60 Cb -0.20 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 3i2x s PRO 60 CO 0.21 -0.74 0.05 0.42 0.04 0.00 0.00 177.00 176.99 3i2x s ILE 61 N 3.51 4.54 -0.01 0.56 1.01 0.11 -2.62 121.20 128.30 3i2x s ILE 61 Ca 0.51 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 3i2x s ILE 61 Cb -0.19 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3i2x s ILE 61 CO 0.13 0.38 0.36 -0.13 0.00 0.00 0.00 174.94 175.69 3i2x s ARG 62 N -1.60 3.81 -0.09 2.79 0.52 0.15 -0.16 118.95 124.38 3i2x s ARG 62 Ca 0.21 0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.74 3i2x s ARG 62 Cb -0.12 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.17 3i2x s ARG 62 CO 0.12 0.69 -0.22 0.42 0.02 0.00 0.00 175.30 176.33 3i2x s ILE 63 N -1.12 1.88 -0.05 1.52 1.01 -1.09 -1.93 121.20 121.42 3i2x s ILE 63 Ca 0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3i2x s ILE 63 Cb -0.16 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.72 3i2x s ILE 63 CO 0.13 0.52 0.12 -0.55 0.00 0.00 0.00 174.94 175.16 3i2x s SER 64 N 0.34 -0.08 0.00 3.58 0.15 -0.52 0.37 113.70 117.53 3i2x s SER 64 Ca -0.16 0.25 0.29 0.00 0.70 0.00 0.00 55.95 57.02 3i2x s SER 64 Cb -0.17 0.15 1.22 0.00 -1.71 0.00 0.00 66.02 65.51 3i2x s SER 64 CO 0.07 -0.13 1.88 -1.54 1.20 0.00 0.00 173.24 174.73 3i2x n SER 65 N 4.01 0.14 0.00 5.45 3.41 -1.26 0.38 113.62 125.75 3i2x n SER 65 Ca -0.24 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3i2x n SER 65 Cb 0.53 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3i2x n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i2x n ARG 66 N -1.36 -1.11 -4.28 4.33 5.12 -1.26 -4.84 116.66 113.25 3i2x n ARG 66 Ca 0.10 0.28 -0.25 0.00 -1.93 0.00 0.00 57.85 56.04 3i2x n ARG 66 Cb 0.30 -4.12 -0.08 0.00 -1.16 0.00 0.00 32.46 27.40 3i2x n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i2x s LEU 67 N 0.00 3.10 -1.10 0.55 1.43 -1.26 -5.06 118.68 116.35 3i2x s LEU 67 Ca 0.00 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 3i2x s LEU 67 Cb 0.00 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.57 3i2x s LEU 67 CO 0.00 0.06 1.52 -0.13 0.23 0.00 0.00 176.35 178.03 3i2x s ARG 68 N -3.20 3.71 -0.02 1.70 0.52 -1.26 -4.90 118.95 115.50 3i2x s ARG 68 Ca 0.28 -1.40 -0.22 0.00 -0.52 0.00 0.00 55.73 53.87 3i2x s ARG 68 Cb -0.08 -5.39 0.04 0.00 0.52 0.00 0.00 34.95 30.04 3i2x s ARG 68 CO 0.18 -2.20 0.48 0.45 0.02 0.00 0.00 175.30 174.22 3i2x s SER 69 N 4.70 -0.40 0.40 0.23 0.15 -1.26 -5.03 113.70 112.50 3i2x s SER 69 Ca 0.48 0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.66 3i2x s SER 69 Cb 0.01 0.42 0.73 0.00 -1.71 0.00 0.00 66.02 65.47 3i2x s SER 69 CO -0.05 -0.55 1.75 0.00 1.20 0.00 0.00 173.24 175.59 3i2x h ALA 70 N 3.39 0.98 -4.81 5.45 0.00 -1.92 -3.39 119.26 118.95 3i2x h ALA 70 Ca -0.29 -0.29 -0.51 0.00 0.00 0.00 0.00 54.91 53.83 3i2x h ALA 70 Cb 1.17 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 3i2x h ALA 70 CO 0.40 0.39 -0.42 1.19 0.00 0.00 0.00 179.25 180.81 3i2x n PHE 71 N -3.44 0.17 -3.87 0.00 3.01 -1.26 -1.65 117.46 110.42 3i2x n PHE 71 Ca 0.00 -2.37 -0.27 0.00 1.01 0.00 0.00 57.45 55.82 3i2x n PHE 71 Cb 0.49 -0.02 -0.17 0.00 -0.01 0.00 0.00 39.48 39.78 3i2x n PHE 71 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i2x s ILE 72 N -2.93 0.93 0.73 4.37 1.01 -1.25 -4.62 121.20 119.43 3i2x s ILE 72 Ca 0.18 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3i2x s ILE 72 Cb 0.01 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.43 3i2x s ILE 72 CO 0.13 0.20 1.12 -2.84 0.00 0.00 0.00 174.94 173.54 3i2x s PRO 73 N 1.72 2.40 0.60 2.79 0.02 -1.26 0.07 135.00 141.35 3i2x s PRO 73 Ca 0.03 1.36 -0.17 0.00 0.02 0.00 0.00 61.00 62.24 3i2x s PRO 73 Cb -0.14 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 3i2x s PRO 73 CO -0.08 -1.56 1.12 -0.98 -0.33 0.00 0.00 177.00 175.18 3i2x s ARG 74 N -4.40 3.09 0.00 5.54 1.70 -0.91 -2.62 118.95 121.34 3i2x s ARG 74 Ca 0.66 1.49 0.00 0.00 -0.47 0.00 0.00 55.73 57.41 3i2x s ARG 74 Cb -0.20 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 3i2x s ARG 74 CO 0.48 -1.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 3i2x n GLY 75 N -0.20 0.40 3.76 3.88 0.00 -1.26 -4.98 105.19 106.79 3i2x n GLY 75 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3i2x n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2x s SER 76 N -2.12 7.39 -0.03 1.61 0.01 -1.08 -4.98 113.70 114.51 3i2x s SER 76 Ca 0.00 1.65 -0.30 0.00 1.31 0.00 0.00 55.95 58.61 3i2x s SER 76 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3i2x s SER 76 CO 0.00 0.12 1.26 -0.76 0.41 0.00 0.00 173.24 174.27 3i2x s LEU 77 N -0.73 4.30 0.17 2.44 1.43 -1.26 -4.42 118.68 120.61 3i2x s LEU 77 Ca 0.38 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.49 3i2x s LEU 77 Cb -0.23 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3i2x s LEU 77 CO 0.27 -0.62 -0.17 0.68 0.23 0.00 0.00 176.35 176.74 3i2x s VAL 78 N 2.20 1.75 0.07 -1.59 -7.23 0.18 -4.42 120.40 111.37 3i2x s VAL 78 Ca 0.59 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 3i2x s VAL 78 Cb -0.27 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3i2x s VAL 78 CO 0.24 -0.41 0.02 0.00 -0.31 0.00 0.00 175.10 174.64 3i2x s ALA 79 N -2.34 3.37 -0.14 1.32 0.00 0.16 -2.22 121.76 121.91 3i2x s ALA 79 Ca 0.17 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i2x s ALA 79 Cb -0.04 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.83 3i2x s ALA 79 CO 0.06 0.71 -0.08 -0.51 0.00 0.00 0.00 175.76 175.94 3i2x s LEU 80 N -2.22 1.42 0.23 0.00 1.43 -1.26 -1.44 118.68 116.84 3i2x s LEU 80 Ca 0.26 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3i2x s LEU 80 Cb -0.12 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 3i2x s LEU 80 CO 0.18 -0.13 0.08 -0.83 0.23 0.00 0.00 176.35 175.88 3i2x s GLY 81 N 1.64 1.57 0.04 -3.19 0.00 -0.81 -0.33 107.32 106.24 3i2x s GLY 81 Ca 0.03 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.80 3i2x s GLY 81 CO -0.08 -1.55 0.51 -1.36 0.00 0.00 0.00 173.10 170.61 3i2x s PHE 82 N -3.78 3.77 -0.23 1.90 0.40 -0.47 0.32 117.98 119.88 3i2x s PHE 82 Ca 0.34 1.16 0.27 0.00 -0.60 0.00 0.00 56.93 58.11 3i2x s PHE 82 Cb 0.07 -2.43 0.74 0.00 0.51 0.00 0.00 43.02 41.91 3i2x s PHE 82 CO 0.11 0.59 1.76 0.00 0.70 0.00 0.00 175.22 178.37 3i2x h ALA 83 N 4.71 1.00 -2.24 5.36 0.00 -1.85 -3.33 119.26 122.91 3i2x h ALA 83 Ca -0.50 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 3i2x h ALA 83 Cb 1.21 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 3i2x h ALA 83 CO 0.63 0.00 -0.97 0.09 0.00 0.00 0.00 179.25 179.00 3i2x n ASN 84 N -3.09 0.48 -4.81 0.00 3.02 -1.26 -5.12 115.26 104.47 3i2x n ASN 84 Ca 0.03 -2.68 -0.30 0.00 -0.03 0.00 0.00 54.58 51.59 3i2x n ASN 84 Cb 0.44 -0.62 0.07 0.00 -0.61 0.00 0.00 39.78 39.07 3i2x n ASN 84 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2x s PRO 85 N -0.86 2.45 0.41 3.52 0.04 -1.25 -5.01 135.00 134.31 3i2x s PRO 85 Ca 0.34 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 3i2x s PRO 85 Cb 0.10 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 3i2x s PRO 85 CO -0.14 -1.41 1.34 -2.14 0.04 0.00 0.00 177.00 174.70 3i2x s PRO 86 N -5.09 3.91 0.00 0.56 0.02 -1.26 -4.84 135.00 128.30 3i2x s PRO 86 Ca 0.60 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3i2x s PRO 86 Cb -0.14 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3i2x s PRO 86 CO 0.55 -0.58 0.84 0.43 -0.33 0.00 0.00 177.00 177.91 3i2x n SER 87 N 0.07 2.46 0.00 2.53 7.64 -1.26 -2.43 113.62 122.63 3i2x n SER 87 Ca 0.04 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.36 3i2x n SER 87 Cb 0.43 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3i2x n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i2x s ALA 89 N -0.06 3.97 0.14 0.00 0.00 -1.02 -4.72 121.76 120.08 3i2x s ALA 89 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3i2x s ALA 89 Cb 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 23.12 21.14 3i2x s ALA 89 CO 0.00 0.75 1.33 0.00 0.00 0.00 0.00 175.76 177.84 3i2x h ALA 90 N 2.87 0.44 -2.34 0.00 0.00 -1.59 -3.47 119.26 115.17 3i2x h ALA 90 Ca -0.46 -0.83 -0.13 0.00 0.00 0.00 0.00 54.91 53.49 3i2x h ALA 90 Cb 1.17 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3i2x h ALA 90 CO 0.74 1.10 -0.61 0.45 0.00 0.00 0.00 179.25 180.93 3i2x s SER 91 N -6.81 0.38 0.14 0.00 0.15 -1.26 -4.71 113.70 101.59 3i2x s SER 91 Ca -0.00 -0.99 0.26 0.00 0.70 0.00 0.00 55.95 55.91 3i2x s SER 91 Cb 0.10 0.25 0.75 0.00 -1.71 0.00 0.00 66.02 65.42 3i2x s SER 91 CO 0.82 -0.66 1.68 -0.81 1.20 0.00 0.00 173.24 175.47 3i2x n PRO 92 N 0.03 0.21 -2.44 5.44 -0.04 -1.26 -4.77 135.00 132.17 3i2x n PRO 92 Ca -0.12 0.14 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 3i2x n PRO 92 Cb 0.62 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3i2x n PRO 92 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2x s TRP 93 N -3.09 3.47 0.66 0.54 0.52 -1.26 -1.37 118.94 118.41 3i2x s TRP 93 Ca 0.10 1.66 -0.11 0.00 0.02 0.00 0.00 56.10 57.77 3i2x s TRP 93 Cb 0.14 -3.31 -0.01 0.00 -1.15 0.00 0.00 33.47 29.13 3i2x s TRP 93 CO 0.62 -0.72 1.05 -1.58 0.02 0.00 0.00 176.95 176.34 3i2x s TRP 94 N -1.22 3.39 -0.22 -1.98 0.51 0.55 -4.58 118.94 115.39 3i2x s TRP 94 Ca 0.47 1.29 -0.13 0.00 -2.12 0.00 0.00 56.10 55.61 3i2x s TRP 94 Cb -0.32 -2.83 0.07 0.00 -0.81 0.00 0.00 33.47 29.58 3i2x s TRP 94 CO 0.41 -0.97 0.53 -0.08 -0.51 0.00 0.00 176.95 176.33 3i2x s THR 95 N -3.16 -0.01 0.15 2.01 -1.32 -0.05 -4.59 115.64 108.68 3i2x s THR 95 Ca 0.57 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.79 3i2x s THR 95 Cb -0.12 -0.78 -0.07 0.00 -1.51 0.00 0.00 72.50 70.03 3i2x s THR 95 CO 0.54 0.02 0.95 -0.69 -2.21 0.00 0.00 174.62 173.23 3i2x s VAL 96 N 1.34 4.37 0.04 5.08 1.01 -1.25 -1.24 120.40 129.75 3i2x s VAL 96 Ca -0.08 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.96 3i2x s VAL 96 Cb -0.06 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3i2x s VAL 96 CO -0.14 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 174.63 3i2x s VAL 97 N -0.36 0.17 0.52 2.92 1.01 0.12 -4.88 120.40 119.90 3i2x s VAL 97 Ca 0.45 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 3i2x s VAL 97 Cb -0.24 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 3i2x s VAL 97 CO 0.30 -0.75 1.18 -1.81 0.00 0.00 0.00 175.10 174.02 3i2x s ASP 98 N -2.24 5.73 0.24 3.32 -0.00 -1.26 0.96 116.67 123.41 3i2x s ASP 98 Ca -0.04 2.32 -0.21 0.00 -0.00 0.00 0.00 52.55 54.62 3i2x s ASP 98 Cb -0.00 -2.60 0.04 0.00 -0.00 0.00 0.00 42.92 40.35 3i2x s ASP 98 CO -0.06 -1.22 0.66 -0.94 -0.00 0.00 0.00 175.17 173.61 3i2x s SER 99 N -1.51 -0.35 0.33 0.27 1.04 -0.89 -4.79 113.70 107.80 3i2x s SER 99 Ca 0.70 -0.42 0.25 0.00 0.48 0.00 0.00 55.95 56.96 3i2x s SER 99 Cb -0.28 0.68 1.14 0.00 0.10 0.00 0.00 66.02 67.65 3i2x s SER 99 CO 0.33 -1.21 1.76 -0.65 0.98 0.00 0.00 173.24 174.45 3i2x h PRO 100 N 2.02 0.00 0.00 4.02 0.11 -2.03 0.25 132.00 136.37 3i2x h PRO 100 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3i2x h PRO 100 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i2x h PRO 100 CO 0.29 0.00 -0.78 1.04 -0.21 0.00 0.00 178.00 178.34 3i2x n GLN 101 N -2.39 0.14 0.00 1.05 3.00 -1.26 -5.07 117.38 112.85 3i2x n GLN 101 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3i2x n GLN 101 Cb 0.19 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.87 3i2x n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i2x n GLY 102 N 1.43 -0.75 3.60 1.08 0.00 0.87 -4.97 105.19 106.46 3i2x n GLY 102 Ca 0.04 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.43 3i2x n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i2x n PRO 103 N 0.00 2.09 -4.59 1.61 -0.02 -1.26 -2.09 135.00 130.74 3i2x n PRO 103 Ca 0.00 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 3i2x n PRO 103 Cb 0.00 -3.00 -0.12 0.00 -0.02 0.00 0.00 33.50 30.35 3i2x n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2x s ALA 104 N 6.73 2.62 -0.65 3.55 0.00 0.27 -0.47 121.76 133.81 3i2x s ALA 104 Ca 0.98 -1.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 3i2x s ALA 104 Cb -0.48 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 21.96 3i2x s ALA 104 CO 0.41 0.58 1.07 0.08 0.00 0.00 0.00 175.76 177.90 3i2x s VAL 105 N -0.97 4.14 0.31 0.00 1.01 -0.45 0.10 120.40 124.54 3i2x s VAL 105 Ca 0.15 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3i2x s VAL 105 Cb -0.11 -4.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.49 3i2x s VAL 105 CO 0.06 -1.49 0.07 -0.54 0.00 0.00 0.00 175.10 173.19 3i2x s LYS 106 N 4.59 1.60 0.03 2.72 1.02 -0.37 -2.36 119.74 126.97 3i2x s LYS 106 Ca 0.29 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.40 3i2x s LYS 106 Cb -0.13 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.41 3i2x s LYS 106 CO 0.15 -0.21 0.14 -0.51 -0.92 0.00 0.00 175.35 173.99 3i2x s LEU 107 N -3.45 4.10 0.26 3.17 1.43 -0.02 -0.87 118.68 123.32 3i2x s LEU 107 Ca 0.37 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3i2x s LEU 107 Cb 0.09 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3i2x s LEU 107 CO 0.15 0.22 0.39 -0.55 0.23 0.00 0.00 176.35 176.78 3i2x s SER 108 N -2.16 6.21 0.00 2.29 0.15 -1.26 -4.87 113.70 114.06 3i2x s SER 108 Ca 0.29 -0.00 0.24 0.00 0.70 0.00 0.00 55.95 57.17 3i2x s SER 108 Cb -0.12 -1.69 0.28 0.00 -1.71 0.00 0.00 66.02 62.78 3i2x s SER 108 CO 0.21 -0.16 1.26 0.00 1.20 0.00 0.00 173.24 175.74 3i2x n GLN 109 N -1.47 0.31 -5.06 5.44 3.00 -1.26 -2.21 117.38 116.14 3i2x n GLN 109 Ca -0.07 -0.22 -0.29 0.00 -0.01 0.00 0.00 57.00 56.41 3i2x n GLN 109 Cb 0.57 -1.50 -0.16 0.00 0.00 0.00 0.00 30.24 29.15 3i2x n GLN 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3i2x s GLN 110 N -2.84 2.33 0.42 -1.09 2.00 -1.26 -4.08 119.66 115.14 3i2x s GLN 110 Ca 0.14 -0.76 -0.23 0.00 -2.00 0.00 0.00 55.36 52.51 3i2x s GLN 110 Cb 0.17 -1.93 -0.13 0.00 0.80 0.00 0.00 33.01 31.93 3i2x s GLN 110 CO 0.70 0.27 0.57 1.63 -0.50 0.00 0.00 175.29 177.96 3i2x n LYS 111 N 3.20 0.60 -4.68 1.67 5.02 -1.26 -4.77 118.16 117.94 3i2x n LYS 111 Ca -0.18 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 3i2x n LYS 111 Cb 0.52 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 3i2x n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i2x s LEU 112 N 1.65 2.93 0.28 -0.35 1.02 -1.26 -5.04 118.68 117.91 3i2x s LEU 112 Ca 0.63 -0.21 -0.30 0.00 0.02 0.00 0.00 54.13 54.27 3i2x s LEU 112 Cb -0.61 -1.66 -0.11 0.00 0.02 0.00 0.00 46.19 43.83 3i2x s LEU 112 CO 0.58 0.23 1.58 -2.16 0.02 0.00 0.00 176.35 176.60 3i2x s PRO 113 N 0.00 4.14 0.00 1.29 0.04 -1.26 -4.83 135.00 134.38 3i2x s PRO 113 Ca -0.02 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3i2x s PRO 113 Cb -0.14 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3i2x s PRO 113 CO 0.04 -0.62 0.54 0.39 0.04 0.00 0.00 177.00 177.39 3i2x n GLU 114 N 2.31 0.00 0.00 4.56 4.71 -1.26 -0.06 120.64 130.90 3i2x n GLU 114 Ca 0.08 0.12 0.12 0.00 -0.01 0.00 0.00 57.16 57.47 3i2x n GLU 114 Cb 0.38 -1.53 0.21 0.00 -1.01 0.00 0.00 31.44 29.49 3i2x n GLU 114 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i2x n LYS 115 N -1.04 0.76 -0.06 3.49 5.02 -1.26 -3.36 118.16 121.71 3i2x n LYS 115 Ca 0.00 -0.53 -0.05 0.00 -2.02 0.00 0.00 58.31 55.71 3i2x n LYS 115 Cb 0.03 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 3i2x n LYS 115 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i2x n ASP 116 N -0.66 0.23 -0.04 4.39 10.43 0.91 -4.49 116.55 127.31 3i2x n ASP 116 Ca 0.10 0.11 -0.09 0.00 2.57 0.00 0.00 54.79 57.47 3i2x n ASP 116 Cb 0.38 0.90 -0.15 0.00 1.84 0.00 0.00 41.12 44.09 3i2x n ASP 116 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3i2x n ILE 117 N -2.73 1.55 -1.28 0.53 -5.35 -1.23 -4.34 119.36 106.51 3i2x n ILE 117 Ca -0.23 -0.81 -0.25 0.00 -0.27 0.00 0.00 62.75 61.19 3i2x n ILE 117 Cb 1.01 -0.90 -0.09 0.00 -1.74 0.00 0.00 39.64 37.92 3i2x n ILE 117 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3i2x n LEU 118 N -2.98 6.74 -0.65 7.28 7.94 -1.21 -4.35 117.00 129.77 3i2x n LEU 118 Ca -0.22 -3.85 0.06 0.00 -1.11 0.00 0.00 56.01 50.89 3i2x n LEU 118 Cb 1.08 -1.42 0.17 0.00 0.53 0.00 0.00 43.42 43.78 3i2x n LEU 118 CO 0.44 1.85 0.64 1.33 -1.11 0.00 0.00 177.39 180.54 3i2x n VAL 119 N 2.44 1.32 -4.32 1.96 0.24 -1.26 -4.78 118.33 113.92 3i2x n VAL 119 Ca 0.56 -1.23 -0.25 0.00 -2.04 0.00 0.00 64.34 61.39 3i2x n VAL 119 Cb 0.59 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 3i2x n VAL 119 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i2x s PHE 120 N -1.46 2.59 -0.30 6.34 0.08 -0.94 -0.39 117.98 123.90 3i2x s PHE 120 Ca 0.26 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 3i2x s PHE 120 Cb 0.17 -1.20 0.13 0.00 -0.57 0.00 0.00 43.02 41.55 3i2x s PHE 120 CO 0.13 0.59 0.68 0.21 -0.10 0.00 0.00 175.22 176.73 3i2x s LYS 121 N -3.29 0.57 0.47 0.44 2.20 -1.04 0.52 119.74 119.61 3i2x s LYS 121 Ca 0.28 1.38 -0.20 0.00 -0.36 0.00 0.00 55.97 57.07 3i2x s LYS 121 Cb -0.07 0.78 -0.09 0.00 -1.51 0.00 0.00 37.83 36.94 3i2x s LYS 121 CO 0.17 -0.19 0.99 -0.06 -0.36 0.00 0.00 175.35 175.90 3i2x s PHE 122 N 2.75 3.21 -0.32 4.03 0.08 -1.26 -2.24 117.98 124.23 3i2x s PHE 122 Ca -0.06 1.58 -0.01 0.00 0.12 0.00 0.00 56.93 58.55 3i2x s PHE 122 Cb -0.11 -2.92 0.11 0.00 -0.57 0.00 0.00 43.02 39.53 3i2x s PHE 122 CO -0.19 -0.42 0.12 -2.00 -0.10 0.00 0.00 175.22 172.63 3i2x s GLU 123 N -3.36 0.65 -0.07 0.44 2.12 -0.49 -4.13 118.70 113.86 3i2x s GLU 123 Ca 0.63 -1.06 -0.39 0.00 0.36 0.00 0.00 54.97 54.51 3i2x s GLU 123 Cb -0.12 -1.81 -0.17 0.00 0.26 0.00 0.00 34.13 32.29 3i2x s GLU 123 CO 0.19 -1.02 1.42 1.17 -0.54 0.00 0.00 175.26 176.48 3i2x n LYS 124 N 4.77 0.86 -3.81 4.30 3.00 -1.26 -1.16 118.16 124.86 3i2x n LYS 124 Ca -0.01 0.31 -0.35 0.00 -0.00 0.00 0.00 58.31 58.26 3i2x n LYS 124 Cb 0.41 -1.93 -0.05 0.00 0.00 0.00 0.00 35.03 33.45 3i2x n LYS 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3i2x s VAL 125 N 1.42 5.38 0.42 3.15 -7.23 -0.69 -4.89 120.40 117.97 3i2x s VAL 125 Ca 0.91 0.15 0.30 0.00 -1.81 0.00 0.00 61.98 61.53 3i2x s VAL 125 Cb -1.08 -3.52 0.47 0.00 0.56 0.00 0.00 36.38 32.81 3i2x s VAL 125 CO 0.56 0.45 1.55 -1.20 -0.31 0.00 0.00 175.10 176.16 3i2x n SER 126 N 1.40 0.24 -4.65 4.85 7.64 -1.26 -4.46 113.62 117.38 3i2x n SER 126 Ca -0.14 1.43 -0.43 0.00 1.01 0.00 0.00 58.87 60.74 3i2x n SER 126 Cb 0.53 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 3i2x n SER 126 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3i2x s HIS 127 N -5.29 2.62 0.00 1.43 0.00 -1.26 -5.00 115.29 107.79 3i2x s HIS 127 Ca -0.08 0.83 0.00 0.00 -3.00 0.00 0.00 55.06 52.81 3i2x s HIS 127 Cb 0.31 -3.71 0.00 0.00 -4.00 0.00 0.00 32.58 25.19 3i2x s HIS 127 CO 0.80 -2.09 0.00 0.45 -1.00 0.00 0.00 174.74 172.91 3i2x n SER 128 N 7.14 0.00 0.00 7.38 2.88 -1.26 -4.60 113.62 125.16 3i2x n SER 128 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3i2x n SER 128 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3i2x n SER 128 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3i2x n ASN 129 N 0.00 0.00 -4.93 -3.46 5.15 -1.26 -4.43 115.26 106.32 3i2x n ASN 129 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 3i2x n ASN 129 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 3i2x n ASN 129 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3i2x s ILE 130 N 0.00 5.08 -0.09 -1.44 -4.36 -1.26 -5.04 121.20 114.09 3i2x s ILE 130 Ca 0.00 -1.04 -0.27 0.00 -0.26 0.00 0.00 60.65 59.08 3i2x s ILE 130 Cb 0.00 -3.74 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 3i2x s ILE 130 CO 0.00 -0.30 0.88 -1.00 0.24 0.00 0.00 174.94 174.76 3i2x s HIS 131 N -1.98 3.53 0.26 1.37 3.76 -1.26 -4.95 115.29 116.03 3i2x s HIS 131 Ca 0.34 1.44 0.08 0.00 -0.15 0.00 0.00 55.06 56.76 3i2x s HIS 131 Cb -0.09 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 3i2x s HIS 131 CO 0.28 -0.11 0.12 0.08 -0.85 0.00 0.00 174.74 174.26 3i2x s VAL 132 N 1.56 3.96 -0.03 -0.90 1.01 -1.26 -4.65 120.40 120.09 3i2x s VAL 132 Ca 0.44 -1.62 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 3i2x s VAL 132 Cb -0.18 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.05 3i2x s VAL 132 CO 0.18 -0.35 0.21 -0.31 0.00 0.00 0.00 175.10 174.84 3i2x s TYR 133 N -2.23 -0.10 0.30 5.22 2.02 -0.38 -1.70 117.35 120.48 3i2x s TYR 133 Ca 0.33 0.19 0.06 0.00 -0.37 0.00 0.00 57.07 57.28 3i2x s TYR 133 Cb -0.07 0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.50 3i2x s TYR 133 CO 0.23 -0.26 0.41 0.15 -1.57 0.00 0.00 175.55 174.51 3i2x s LYS 134 N -0.90 3.19 -0.25 -0.62 1.02 -0.31 0.09 119.74 121.96 3i2x s LYS 134 Ca -0.10 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 3i2x s LYS 134 Cb -0.05 -2.81 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 3i2x s LYS 134 CO 0.02 0.20 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.40 3i2x s LEU 135 N -4.08 3.29 -0.14 3.17 2.96 -1.24 -1.40 118.68 121.23 3i2x s LEU 135 Ca 0.40 -1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 3i2x s LEU 135 Cb -0.09 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3i2x s LEU 135 CO 0.30 -0.16 0.13 -0.76 -1.32 0.00 0.00 176.35 174.54 3i2x s LEU 136 N 1.25 4.30 -0.02 -0.68 1.43 -0.95 0.52 118.68 124.53 3i2x s LEU 136 Ca -0.03 0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3i2x s LEU 136 Cb -0.18 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3i2x s LEU 136 CO -0.05 0.34 0.28 -0.47 0.23 0.00 0.00 176.35 176.68 3i2x s TYR 137 N -0.59 3.62 -1.54 0.29 5.04 0.11 -2.50 117.35 121.78 3i2x s TYR 137 Ca 0.13 0.68 0.14 0.00 -2.44 0.00 0.00 57.07 55.58 3i2x s TYR 137 Cb -0.12 -2.06 0.24 0.00 0.35 0.00 0.00 41.96 40.37 3i2x s TYR 137 CO 0.02 0.64 1.12 0.00 -1.34 0.00 0.00 175.55 175.99 3i2x n GLN 139 N 0.81 -1.50 0.00 0.00 1.13 -1.26 -4.57 117.38 111.99 3i2x n GLN 139 Ca 0.11 1.08 0.00 0.00 -1.94 0.00 0.00 57.00 56.25 3i2x n GLN 139 Cb 0.41 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.21 3i2x n GLN 139 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3i2x n HIS 140 N 0.61 0.00 0.00 1.08 8.25 -1.26 -4.82 115.22 119.07 3i2x n HIS 140 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i2x n HIS 140 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i2x n HIS 140 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i2x n ASP 141 N 0.00 0.00 0.00 0.41 8.00 -1.26 -4.51 116.55 119.19 3i2x n ASP 141 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i2x n ASP 141 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3i2x n ASP 141 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i2x n GLU 142 N -0.34 0.00 0.01 -1.24 2.13 -1.26 -4.48 120.64 115.46 3i2x n GLU 142 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3i2x n GLU 142 Cb 0.00 -0.42 -0.02 0.00 0.27 0.00 0.00 31.44 31.27 3i2x n GLU 142 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3i2x n GLU 143 N -2.27 0.18 0.03 5.31 1.02 -1.26 -4.34 120.64 119.30 3i2x n GLU 143 Ca 0.00 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3i2x n GLU 143 Cb 0.17 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 3i2x n GLU 143 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i2x n ASP 144 N -1.75 0.60 -4.66 1.62 -0.08 -1.26 -5.04 116.55 105.98 3i2x n ASP 144 Ca 0.03 -0.22 -0.44 0.00 -1.51 0.00 0.00 54.79 52.64 3i2x n ASP 144 Cb 0.40 0.85 -0.02 0.00 2.34 0.00 0.00 41.12 44.69 3i2x n ASP 144 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3i2x n VAL 145 N -1.98 1.36 0.00 5.18 0.31 -1.26 -5.00 118.33 116.94 3i2x n VAL 145 Ca 0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3i2x n VAL 145 Cb 0.44 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3i2x n VAL 145 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i2x n LYS 146 N 1.44 0.00 -4.54 5.55 5.02 -1.26 -5.09 118.16 119.27 3i2x n LYS 146 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 3i2x n LYS 146 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.18 3i2x n LYS 146 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i2x n ASP 148 N 4.02 -0.65 -3.79 0.00 5.75 -1.26 -5.05 116.55 115.57 3i2x n ASP 148 Ca -0.19 -2.04 -0.30 0.00 -0.01 0.00 0.00 54.79 52.25 3i2x n ASP 148 Cb 0.52 0.24 -0.14 0.00 -1.03 0.00 0.00 41.12 40.70 3i2x n ASP 148 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3i2x s GLN 149 N -0.15 1.11 0.54 0.11 -1.52 -1.24 -5.04 119.66 113.48 3i2x s GLN 149 Ca 0.08 -1.63 -0.20 0.00 -1.95 0.00 0.00 55.36 51.67 3i2x s GLN 149 Cb 0.16 -2.39 -0.06 0.00 -0.22 0.00 0.00 33.01 30.50 3i2x s GLN 149 CO -0.05 -1.05 1.13 0.71 -0.25 0.00 0.00 175.29 175.78 3i2x s TYR 150 N 0.94 2.67 -0.21 0.91 1.51 -1.26 -0.71 117.35 121.19 3i2x s TYR 150 Ca 0.13 1.54 -0.17 0.00 -1.01 0.00 0.00 57.07 57.57 3i2x s TYR 150 Cb -0.21 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.31 3i2x s TYR 150 CO -0.12 -1.58 0.44 0.42 -1.11 0.00 0.00 175.55 173.60 3i2x s ILE 151 N -1.76 5.15 0.00 2.71 -1.09 0.18 -1.75 121.20 124.65 3i2x s ILE 151 Ca 0.73 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 3i2x s ILE 151 Cb -0.24 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3i2x s ILE 151 CO 0.27 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3i2x n GLY 152 N 4.05 5.16 3.15 6.18 0.00 0.14 -2.35 105.19 121.52 3i2x n GLY 152 Ca -0.07 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 3i2x n GLY 152 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i2x n ILE 153 N 0.00 0.00 -3.15 -0.61 5.41 -1.26 -0.88 119.36 118.87 3i2x n ILE 153 Ca 0.00 -1.77 0.05 0.00 1.00 0.00 0.00 62.75 62.04 3i2x n ILE 153 Cb 0.00 -0.18 -0.01 0.00 -0.71 0.00 0.00 39.64 38.74 3i2x n ILE 153 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3i2x s HIS 154 N -2.21 -0.60 -0.07 1.39 5.65 -0.92 -4.72 115.29 113.81 3i2x s HIS 154 Ca 0.29 0.54 -0.29 0.00 0.25 0.00 0.00 55.06 55.86 3i2x s HIS 154 Cb -0.02 0.18 -0.02 0.00 -1.18 0.00 0.00 32.58 31.53 3i2x s HIS 154 CO 0.19 -0.34 0.95 -0.98 -0.65 0.00 0.00 174.74 173.91 3i2x s ARG 155 N 2.95 4.47 0.52 2.88 1.70 -1.25 -2.84 118.95 127.37 3i2x s ARG 155 Ca 0.08 1.31 -0.09 0.00 -0.47 0.00 0.00 55.73 56.56 3i2x s ARG 155 Cb -0.08 -3.50 0.12 0.00 -0.57 0.00 0.00 34.95 30.92 3i2x s ARG 155 CO -0.15 -0.17 0.57 -0.40 -1.08 0.00 0.00 175.30 174.06 3i2x n ASP 156 N 4.47 -0.74 -0.03 -2.89 5.68 -0.08 -4.89 116.55 118.07 3i2x n ASP 156 Ca 0.06 -1.02 -0.11 0.00 -0.50 0.00 0.00 54.79 53.23 3i2x n ASP 156 Cb 0.50 -0.48 0.03 0.00 -1.14 0.00 0.00 41.12 40.03 3i2x n ASP 156 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3i2x h ARG 157 N 0.00 0.68 -0.42 0.11 1.12 -1.96 -2.92 114.38 110.99 3i2x h ARG 157 Ca -0.20 -0.41 0.00 0.00 -1.11 0.00 0.00 59.98 58.27 3i2x h ARG 157 Cb 0.57 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.57 3i2x h ARG 157 CO 0.13 1.02 0.00 0.09 -3.11 0.00 0.00 179.97 178.11 3i2x n ASN 158 N -3.99 0.42 -0.70 -3.80 5.03 -1.26 -4.74 115.26 106.21 3i2x n ASN 158 Ca -0.03 -0.95 -0.09 0.00 0.87 0.00 0.00 54.58 54.38 3i2x n ASN 158 Cb 0.59 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 39.10 3i2x n ASN 158 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i2x n GLY 159 N 0.23 1.07 3.76 7.41 0.00 -1.10 -5.01 105.19 111.56 3i2x n GLY 159 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3i2x n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2x s ASN 160 N -2.82 6.88 -1.10 1.61 0.02 -1.26 -4.86 114.94 113.42 3i2x s ASN 160 Ca 0.00 1.05 -0.06 0.00 -1.02 0.00 0.00 52.86 52.83 3i2x s ASN 160 Cb 0.00 -2.33 0.30 0.00 0.02 0.00 0.00 41.25 39.24 3i2x s ASN 160 CO 0.00 0.11 1.36 0.54 0.02 0.00 0.00 177.10 179.13 3i2x n ARG 161 N 2.80 4.13 -2.03 -0.60 1.74 -1.26 -0.90 116.66 120.54 3i2x n ARG 161 Ca -0.08 -4.50 -0.37 0.00 -0.77 0.00 0.00 57.85 52.14 3i2x n ARG 161 Cb 0.51 -2.54 0.03 0.00 -1.02 0.00 0.00 32.46 29.44 3i2x n ARG 161 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i2x s ARG 162 N -2.17 3.17 -0.26 5.56 0.52 -1.13 -0.93 118.95 123.70 3i2x s ARG 162 Ca 0.31 1.88 -0.22 0.00 -0.52 0.00 0.00 55.73 57.19 3i2x s ARG 162 Cb -0.00 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 3i2x s ARG 162 CO 0.04 -1.06 0.71 -0.51 0.02 0.00 0.00 175.30 174.50 3i2x s LEU 163 N -3.76 4.08 0.05 2.53 1.02 0.97 -2.17 118.68 121.40 3i2x s LEU 163 Ca 0.74 0.77 -0.09 0.00 0.02 0.00 0.00 54.13 55.57 3i2x s LEU 163 Cb -0.32 -2.98 0.00 0.00 0.02 0.00 0.00 46.19 42.91 3i2x s LEU 163 CO 0.36 -0.46 0.19 0.68 0.02 0.00 0.00 176.35 177.13 3i2x s VAL 164 N 2.68 0.12 -0.03 -1.59 -7.23 -0.06 -1.35 120.40 112.94 3i2x s VAL 164 Ca 0.30 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 3i2x s VAL 164 Cb -0.15 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 3i2x s VAL 164 CO 0.09 -0.53 1.79 -0.69 -0.31 0.00 0.00 175.10 175.45 3i2x s VAL 165 N -2.82 3.35 0.22 1.32 1.01 0.38 0.25 120.40 124.12 3i2x s VAL 165 Ca -0.03 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3i2x s VAL 165 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3i2x s VAL 165 CO -0.05 -0.05 -0.11 0.42 0.00 0.00 0.00 175.10 175.31 3i2x s THR 166 N 4.37 1.64 0.00 3.92 -4.23 -0.72 -4.57 115.64 116.05 3i2x s THR 166 Ca 0.80 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3i2x s THR 166 Cb -0.37 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3i2x s THR 166 CO 0.34 -0.51 0.47 1.21 -0.54 0.00 0.00 174.62 175.59 3i2x n GLU 167 N -0.42 0.00 -3.73 3.99 2.13 -1.26 -4.53 120.64 116.82 3i2x n GLU 167 Ca -0.07 0.50 -0.23 0.00 0.66 0.00 0.00 57.16 58.01 3i2x n GLU 167 Cb 0.61 -1.24 -0.02 0.00 0.27 0.00 0.00 31.44 31.07 3i2x n GLU 167 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3i2x s GLU 168 N -1.94 2.37 -0.80 5.31 1.03 -1.26 -4.84 118.70 118.57 3i2x s GLU 168 Ca 0.00 -1.77 -0.01 0.00 0.03 0.00 0.00 54.97 53.22 3i2x s GLU 168 Cb 0.00 -2.24 -0.00 0.00 -0.80 0.00 0.00 34.13 31.09 3i2x s GLU 168 CO 0.00 -0.39 0.67 0.09 -1.33 0.00 0.00 175.26 174.30 3i2x n ASN 169 N -1.64 -6.60 -3.39 0.83 3.02 -1.26 -4.91 115.26 101.30 3i2x n ASN 169 Ca 0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 3i2x n ASN 169 Cb 0.63 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 3i2x n ASN 169 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i2x n PRO 170 N -2.22 1.06 -4.89 3.52 -0.04 -1.26 -4.34 135.00 126.83 3i2x n PRO 170 Ca -0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 3i2x n PRO 170 Cb 0.58 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 3i2x n PRO 170 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i2x s LEU 171 N 0.00 2.27 -0.24 1.53 1.43 -0.99 -4.78 118.68 117.91 3i2x s LEU 171 Ca 0.00 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3i2x s LEU 171 Cb 0.00 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.76 3i2x s LEU 171 CO 0.00 0.13 -0.07 -1.61 0.23 0.00 0.00 176.35 175.03 3i2x s GLU 172 N 0.54 2.91 0.40 1.70 2.02 -1.26 -3.72 118.70 121.30 3i2x s GLU 172 Ca -0.12 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 53.99 3i2x s GLU 172 Cb -0.17 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 3i2x s GLU 172 CO 0.04 -0.36 0.04 -0.51 0.02 0.00 0.00 175.26 174.49 3i2x s LEU 173 N 1.34 2.45 0.02 1.80 1.43 0.11 -2.21 118.68 123.63 3i2x s LEU 173 Ca 0.01 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3i2x s LEU 173 Cb -0.16 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 3i2x s LEU 173 CO -0.05 -0.64 -0.04 0.68 0.23 0.00 0.00 176.35 176.54 3i2x s VAL 174 N -2.98 0.20 -0.22 -1.59 -7.23 0.35 -1.24 120.40 107.68 3i2x s VAL 174 Ca 0.28 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3i2x s VAL 174 Cb 0.07 -0.32 -0.00 0.00 0.56 0.00 0.00 36.38 36.69 3i2x s VAL 174 CO 0.14 -0.44 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.68 3i2x s LEU 175 N -1.39 2.90 -0.24 1.32 1.43 -1.26 -2.21 118.68 119.23 3i2x s LEU 175 Ca -0.14 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 3i2x s LEU 175 Cb -0.09 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3i2x s LEU 175 CO -0.01 -0.03 -0.00 -0.22 0.23 0.00 0.00 176.35 176.32 3i2x s LEU 176 N 1.46 3.13 0.09 1.79 2.96 -0.77 0.14 118.68 127.48 3i2x s LEU 176 Ca 0.05 -0.40 -0.32 0.00 -0.22 0.00 0.00 54.13 53.24 3i2x s LEU 176 Cb -0.14 -1.79 -0.11 0.00 0.50 0.00 0.00 46.19 44.64 3i2x s LEU 176 CO -0.04 -0.04 1.82 1.17 -1.32 0.00 0.00 176.35 177.94 3i2x n LYS 177 N 4.83 2.62 -0.77 1.98 3.00 -1.26 0.43 118.16 128.99 3i2x n LYS 177 Ca -0.17 0.95 -0.03 0.00 -0.00 0.00 0.00 58.31 59.06 3i2x n LYS 177 Cb 0.51 -2.83 0.02 0.00 0.00 0.00 0.00 35.03 32.72 3i2x n LYS 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i2x n ALA 178 N 5.66 -0.01 -3.89 3.14 0.00 -0.49 -4.84 120.51 120.09 3i2x n ALA 178 Ca 0.19 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 3i2x n ALA 178 Cb 0.35 0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 3i2x n ALA 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i2x s LYS 179 N -2.81 1.32 0.00 0.00 -2.85 -1.26 -4.87 119.74 109.27 3i2x s LYS 179 Ca 0.08 -1.79 0.00 0.00 -1.00 0.00 0.00 55.97 53.27 3i2x s LYS 179 Cb -0.00 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.00 3i2x s LYS 179 CO 0.06 -1.01 0.00 0.43 0.10 0.00 0.00 175.35 174.93