#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0e s THR 16 N 0.00 3.49 0.58 3.45 -4.23 -1.26 -4.78 115.64 112.89 1n0e s THR 16 Ca 0.00 0.91 0.28 0.00 -1.18 0.00 0.00 61.69 61.70 1n0e s THR 16 Cb 0.00 -3.37 0.36 0.00 1.34 0.00 0.00 72.50 70.83 1n0e s THR 16 CO 0.00 -0.21 2.08 0.71 -0.54 0.00 0.00 174.62 176.66 1n0e h THR 17 N 1.32 0.50 0.15 3.99 1.35 -2.05 0.10 112.91 118.28 1n0e h THR 17 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1n0e h THR 17 Cb 1.24 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1n0e h THR 17 CO 0.58 0.00 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.70 1n0e h GLU 18 N 0.00 -0.20 -0.31 4.72 4.81 -1.99 -1.68 114.58 119.93 1n0e h GLU 18 Ca 0.10 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1n0e h GLU 18 Cb 0.55 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1n0e h GLU 18 CO -0.00 0.23 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.44 1n0e h ASN 19 N -0.73 -0.55 -0.79 1.04 -0.26 -1.49 0.46 115.58 113.26 1n0e h ASN 19 Ca -0.02 0.13 0.13 0.00 -0.56 0.00 0.00 56.30 55.98 1n0e h ASN 19 Cb 0.52 0.29 -0.09 0.00 -1.06 0.00 0.00 38.32 37.98 1n0e h ASN 19 CO 0.03 -0.20 0.38 0.25 -1.06 0.00 0.00 177.43 176.84 1n0e h LEU 20 N -0.12 0.45 -0.40 1.61 6.46 -0.89 0.26 115.31 122.69 1n0e h LEU 20 Ca 0.16 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1n0e h LEU 20 Cb 0.37 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1n0e h LEU 20 CO -0.39 0.21 0.15 0.22 -0.62 0.00 0.00 178.44 178.01 1n0e h TYR 21 N 0.58 0.27 -0.01 1.25 5.03 0.04 -1.86 116.97 122.26 1n0e h TYR 21 Ca 0.42 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.60 1n0e h TYR 21 Cb 0.57 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1n0e h TYR 21 CO -0.11 0.11 -0.70 0.74 -1.32 0.00 0.00 178.16 176.87 1n0e h PHE 22 N 0.32 0.06 0.00 -3.82 0.04 -0.11 -2.72 116.94 110.71 1n0e h PHE 22 Ca 0.18 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1n0e h PHE 22 Cb 0.16 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1n0e h PHE 22 CO -0.14 0.73 -0.09 1.96 -0.60 0.00 0.00 178.31 180.17 1n0e h GLN 23 N 0.03 0.00 -0.31 1.51 4.20 -0.06 -0.46 115.11 120.02 1n0e h GLN 23 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1n0e h GLN 23 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1n0e h GLN 23 CO 0.09 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 178.76 1n0e n GLY 24 N -0.44 1.17 0.01 3.46 0.00 -0.74 -3.25 105.19 105.39 1n0e n GLY 24 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 1n0e n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n0e n HIS 25 N 1.04 0.00 -3.73 1.61 8.25 -0.31 -4.83 115.22 117.25 1n0e n HIS 25 Ca 0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 1n0e n HIS 25 Cb 0.50 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 1n0e n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n0e s MET 26 N -2.17 0.55 -0.41 -0.41 0.00 -0.43 -4.99 119.30 111.44 1n0e s MET 26 Ca -0.02 0.36 -0.16 0.00 0.00 0.00 0.00 55.69 55.87 1n0e s MET 26 Cb 0.02 0.26 0.02 0.00 0.00 0.00 0.00 34.83 35.13 1n0e s MET 26 CO 0.16 -0.10 0.36 -0.51 0.00 0.00 0.00 175.02 174.93 1n0e s LEU 27 N -0.24 4.99 0.10 0.18 1.43 -1.16 -4.54 118.68 119.44 1n0e s LEU 27 Ca -0.04 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1n0e s LEU 27 Cb -0.03 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1n0e s LEU 27 CO 0.02 -0.50 -0.11 -0.76 0.23 0.00 0.00 176.35 175.23 1n0e s LEU 28 N 1.88 2.41 0.00 1.79 1.43 -1.26 -0.98 118.68 123.94 1n0e s LEU 28 Ca 0.08 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1n0e s LEU 28 Cb -0.18 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1n0e s LEU 28 CO 0.12 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1n0e n GLY 29 N 0.52 2.14 3.34 -3.19 0.00 -1.26 -4.62 105.19 102.12 1n0e n GLY 29 Ca -0.16 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1n0e n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0e s THR 30 N -2.58 2.54 -0.03 2.61 2.01 -1.26 -0.87 115.64 118.05 1n0e s THR 30 Ca 0.00 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1n0e s THR 30 Cb 0.00 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1n0e s THR 30 CO 0.00 0.56 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.06 1n0e s PHE 31 N -0.13 0.91 -0.23 4.92 0.08 0.79 -4.96 117.98 119.35 1n0e s PHE 31 Ca -0.03 -0.25 -0.08 0.00 0.12 0.00 0.00 56.93 56.70 1n0e s PHE 31 Cb -0.14 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1n0e s PHE 31 CO 0.04 -0.14 0.08 -0.80 -0.10 0.00 0.00 175.22 174.29 1n0e s ASN 32 N 0.47 5.35 0.26 1.36 0.01 -1.26 -0.44 114.94 120.68 1n0e s ASN 32 Ca -0.07 -0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1n0e s ASN 32 Cb -0.11 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 1n0e s ASN 32 CO 0.01 0.03 0.24 0.27 -1.51 0.00 0.00 177.10 176.14 1n0e s ILE 33 N 1.23 0.00 -0.03 0.60 -4.36 -0.30 -4.99 121.20 113.35 1n0e s ILE 33 Ca 0.05 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1n0e s ILE 33 Cb -0.14 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 1n0e s ILE 33 CO 0.04 0.00 -0.08 -0.89 0.24 0.00 0.00 174.94 174.25 1n0e s THR 34 N -3.83 3.60 -0.06 8.37 2.01 -1.26 0.62 115.64 125.09 1n0e s THR 34 Ca 0.37 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1n0e s THR 34 Cb 0.04 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1n0e s THR 34 CO 0.17 0.51 1.11 -0.22 -0.69 0.00 0.00 174.62 175.49 1n0e s LEU 35 N -1.07 4.28 1.00 4.42 2.96 -1.26 -4.71 118.68 124.30 1n0e s LEU 35 Ca 0.14 1.71 -0.13 0.00 -0.22 0.00 0.00 54.13 55.64 1n0e s LEU 35 Cb -0.11 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.14 1n0e s LEU 35 CO 0.04 -0.50 0.70 -0.67 -1.32 0.00 0.00 176.35 174.60 1n0e n ASP 36 N 4.93 -1.25 0.25 3.68 2.03 0.17 -4.86 116.55 121.50 1n0e n ASP 36 Ca 0.10 0.22 0.13 0.00 0.52 0.00 0.00 54.79 55.76 1n0e n ASP 36 Cb 0.48 -1.27 0.53 0.00 -0.72 0.00 0.00 41.12 40.13 1n0e n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n0e h ALA 37 N -1.93 1.00 -0.53 -1.67 0.00 -1.95 -2.22 119.26 111.97 1n0e h ALA 37 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1n0e h ALA 37 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1n0e h ALA 37 CO 0.39 0.13 0.03 1.63 0.00 0.00 0.00 179.25 181.43 1n0e n LYS 38 N -3.22 4.37 -3.29 0.00 5.02 -1.26 -4.93 118.16 114.86 1n0e n LYS 38 Ca 0.01 -3.10 -0.17 0.00 -2.02 0.00 0.00 58.31 53.02 1n0e n LYS 38 Cb 0.39 -2.18 0.06 0.00 -0.02 0.00 0.00 35.03 33.27 1n0e n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0e n ASN 39 N 0.29 -5.11 -4.46 4.39 5.03 -0.83 -4.84 115.26 109.73 1n0e n ASN 39 Ca 0.28 -0.39 -0.26 0.00 0.87 0.00 0.00 54.58 55.09 1n0e n ASN 39 Cb 1.16 -3.76 -0.11 0.00 -1.02 0.00 0.00 39.78 36.05 1n0e n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n0e s ARG 40 N -5.93 1.65 0.05 3.52 0.52 -1.26 -1.00 118.95 116.49 1n0e s ARG 40 Ca 0.42 -1.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 1n0e s ARG 40 Cb -0.18 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.42 1n0e s ARG 40 CO 0.52 0.37 -0.19 0.96 0.02 0.00 0.00 175.30 176.98 1n0e s ILE 41 N -2.05 1.56 -0.28 1.52 -4.36 -0.06 0.46 121.20 117.98 1n0e s ILE 41 Ca 0.25 -1.18 -0.16 0.00 -0.26 0.00 0.00 60.65 59.31 1n0e s ILE 41 Cb -0.07 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.25 1n0e s ILE 41 CO 0.13 0.15 0.40 -0.44 0.24 0.00 0.00 174.94 175.42 1n0e s SER 42 N -1.21 6.27 0.13 4.36 0.01 -1.26 -0.54 113.70 121.46 1n0e s SER 42 Ca 0.06 0.24 -0.32 0.00 1.31 0.00 0.00 55.95 57.24 1n0e s SER 42 Cb -0.09 -2.22 -0.11 0.00 0.21 0.00 0.00 66.02 63.81 1n0e s SER 42 CO 0.02 -0.24 1.81 0.18 0.41 0.00 0.00 173.24 175.42 1n0e n LEU 43 N 5.40 3.94 -0.21 2.44 4.77 0.52 -4.86 117.00 129.00 1n0e n LEU 43 Ca -0.08 1.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.88 1n0e n LEU 43 Cb 0.50 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1n0e n LEU 43 CO 0.39 0.13 0.28 -2.65 -1.33 0.00 0.00 177.39 174.20 1n0e n PRO 44 N 5.32 -0.17 0.00 3.23 -0.02 -1.26 -4.63 135.00 137.47 1n0e n PRO 44 Ca 0.18 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1n0e n PRO 44 Cb 0.36 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1n0e n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n0e n ALA 45 N -3.67 0.00 0.32 3.55 0.00 -1.26 -4.83 120.51 114.62 1n0e n ALA 45 Ca 0.03 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.67 1n0e n ALA 45 Cb 0.17 0.00 1.10 0.00 0.00 0.00 0.00 19.45 20.73 1n0e n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n0e h LYS 46 N 0.00 0.00 0.12 0.00 1.57 -1.99 -2.05 116.57 114.22 1n0e h LYS 46 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1n0e h LYS 46 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1n0e h LYS 46 CO 0.00 0.00 -1.63 -0.07 -0.57 0.00 0.00 179.45 177.18 1n0e h LEU 47 N 0.00 0.39 -1.19 2.94 4.07 -1.90 -3.36 115.31 116.26 1n0e h LEU 47 Ca -0.00 -0.86 0.28 0.00 0.08 0.00 0.00 57.88 57.37 1n0e h LEU 47 Cb 0.02 -0.13 -0.11 0.00 1.08 0.00 0.00 40.66 41.52 1n0e h LEU 47 CO 0.00 1.71 0.64 0.03 -1.08 0.00 0.00 178.44 179.74 1n0e h ARG 48 N -0.20 0.43 -0.84 1.13 3.08 -1.63 0.29 114.38 116.64 1n0e h ARG 48 Ca -0.35 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 59.81 1n0e h ARG 48 Cb 1.85 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.71 1n0e h ARG 48 CO 0.06 0.28 0.43 0.00 -1.07 0.00 0.00 179.97 179.67 1n0e h ALA 49 N 1.68 1.25 -0.45 0.04 0.00 -1.68 -2.10 119.26 118.00 1n0e h ALA 49 Ca 0.64 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.60 1n0e h ALA 49 Cb 1.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1n0e h ALA 49 CO -0.40 -0.08 0.16 0.35 0.00 0.00 0.00 179.25 179.28 1n0e h PHE 50 N 0.63 0.71 -3.44 0.00 3.57 -0.39 -3.43 116.94 114.59 1n0e h PHE 50 Ca 0.45 -0.06 -0.53 0.00 3.53 0.00 0.00 57.97 61.36 1n0e h PHE 50 Cb 0.62 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1n0e h PHE 50 CO -0.09 0.62 -0.08 -0.06 -2.23 0.00 0.00 178.31 176.46 1n0e s PHE 51 N -5.49 3.43 0.00 0.41 0.08 -0.79 -4.95 117.98 110.67 1n0e s PHE 51 Ca -0.13 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1n0e s PHE 51 Cb 0.11 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1n0e s PHE 51 CO 0.77 0.20 0.00 0.39 -0.10 0.00 0.00 175.22 176.48 1n0e n GLU 52 N -0.42 0.00 -0.08 0.44 4.71 -1.26 -4.90 120.64 119.13 1n0e n GLU 52 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 1n0e n GLU 52 Cb 0.53 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 31.07 1n0e n GLU 52 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n0e n GLY 53 N 5.00 0.92 3.09 0.62 0.00 -1.26 -4.79 105.19 108.76 1n0e n GLY 53 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1n0e n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n0e s SER 54 N -1.18 -0.04 0.08 1.61 0.15 -1.26 -0.35 113.70 112.71 1n0e s SER 54 Ca 0.22 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 1n0e s SER 54 Cb 0.14 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1n0e s SER 54 CO 0.20 -0.27 0.04 0.27 1.20 0.00 0.00 173.24 174.68 1n0e s ILE 55 N -0.91 0.18 -0.09 6.45 -5.25 0.36 -4.43 121.20 117.51 1n0e s ILE 55 Ca -0.10 -1.68 -0.00 0.00 -0.99 0.00 0.00 60.65 57.88 1n0e s ILE 55 Cb -0.06 -1.59 -0.03 0.00 2.95 0.00 0.00 42.46 43.74 1n0e s ILE 55 CO 0.01 -0.81 -0.07 -0.69 -1.79 0.00 0.00 174.94 171.59 1n0e s VAL 56 N -3.93 3.65 -0.06 8.37 1.01 -0.59 0.47 120.40 129.32 1n0e s VAL 56 Ca 0.10 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1n0e s VAL 56 Cb 0.07 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1n0e s VAL 56 CO -0.08 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.45 1n0e n ILE 57 N 2.64 0.75 -1.47 2.22 3.06 -0.06 -1.54 119.36 124.97 1n0e n ILE 57 Ca -0.18 0.29 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 1n0e n ILE 57 Cb 0.53 -1.79 0.00 0.00 0.54 0.00 0.00 39.64 38.92 1n0e n ILE 57 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1n0e n ASN 58 N -3.40 -6.11 -4.76 9.51 0.23 -1.23 -2.91 115.26 106.59 1n0e n ASN 58 Ca -0.05 1.06 -0.40 0.00 -0.53 0.00 0.00 54.58 54.65 1n0e n ASN 58 Cb 0.20 -4.07 -0.05 0.00 -2.08 0.00 0.00 39.78 33.78 1n0e n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n0e s ARG 59 N -3.99 4.72 0.00 -3.83 1.70 -1.17 -0.97 118.95 115.40 1n0e s ARG 59 Ca 0.00 1.69 0.00 0.00 -0.47 0.00 0.00 55.73 56.95 1n0e s ARG 59 Cb 0.00 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 1n0e s ARG 59 CO 0.00 0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.95 1n0e n GLY 60 N 1.31 2.03 3.89 3.88 0.00 -1.26 -4.71 105.19 110.32 1n0e n GLY 60 Ca -0.01 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1n0e n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n0e s PHE 61 N 1.23 3.46 -1.65 1.61 0.08 -1.26 -4.06 117.98 117.39 1n0e s PHE 61 Ca 0.00 0.85 0.00 0.00 0.12 0.00 0.00 56.93 57.90 1n0e s PHE 61 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 1n0e s PHE 61 CO 0.00 0.11 0.00 0.39 -0.10 0.00 0.00 175.22 175.62 1n0e n GLU 62 N -0.83 -1.53 -3.19 0.44 4.71 -1.26 -3.39 120.64 115.58 1n0e n GLU 62 Ca 0.00 0.94 -0.15 0.00 -0.01 0.00 0.00 57.16 57.94 1n0e n GLU 62 Cb 0.54 -5.50 0.07 0.00 -1.01 0.00 0.00 31.44 25.53 1n0e n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n0e n ASN 63 N -1.67 -4.97 0.00 1.62 3.02 -1.26 -5.00 115.26 107.01 1n0e n ASN 63 Ca -0.23 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1n0e n ASN 63 Cb 0.67 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1n0e n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e n LEU 65 N -0.53 -6.36 -4.56 0.00 4.32 -1.26 -1.79 117.00 106.83 1n0e n LEU 65 Ca 0.00 3.21 -0.27 0.00 -0.02 0.00 0.00 56.01 58.94 1n0e n LEU 65 Cb 0.01 -3.08 -0.10 0.00 -1.62 0.00 0.00 43.42 38.63 1n0e n LEU 65 CO 0.00 -0.72 -0.42 -1.61 -1.22 0.00 0.00 177.39 173.42 1n0e s GLU 66 N -2.05 2.02 -0.04 3.23 2.02 -0.14 -1.72 118.70 122.01 1n0e s GLU 66 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 53.72 1n0e s GLU 66 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1n0e s GLU 66 CO 0.00 0.43 -0.04 0.08 0.02 0.00 0.00 175.26 175.75 1n0e s VAL 67 N -1.68 0.52 0.19 2.63 1.01 0.19 -4.13 120.40 119.12 1n0e s VAL 67 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1n0e s VAL 67 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1n0e s VAL 67 CO 0.15 0.22 0.12 -0.13 0.00 0.00 0.00 175.10 175.46 1n0e s ARG 68 N 0.86 1.15 0.31 2.72 0.52 -0.59 -0.99 118.95 122.93 1n0e s ARG 68 Ca -0.12 -1.58 -0.21 0.00 -0.52 0.00 0.00 55.73 53.31 1n0e s ARG 68 Cb -0.14 0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.50 1n0e s ARG 68 CO 0.00 -0.37 0.83 0.15 0.02 0.00 0.00 175.30 175.94 1n0e s LYS 69 N -4.13 4.28 0.34 3.54 1.02 -1.26 -1.54 119.74 121.99 1n0e s LYS 69 Ca 0.35 1.00 0.10 0.00 0.02 0.00 0.00 55.97 57.45 1n0e s LYS 69 Cb 0.07 -2.62 0.88 0.00 -0.52 0.00 0.00 37.83 35.64 1n0e s LYS 69 CO 0.10 0.22 1.77 -1.35 -0.92 0.00 0.00 175.35 175.17 1n0e h PRO 70 N 2.79 0.60 -0.44 -1.68 0.11 -1.91 -0.23 132.00 131.23 1n0e h PRO 70 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n0e h PRO 70 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1n0e h PRO 70 CO 0.64 0.39 0.26 1.96 -0.21 0.00 0.00 178.00 181.04 1n0e h GLN 71 N 0.61 0.60 -0.27 1.05 7.50 -1.97 -0.12 115.11 122.52 1n0e h GLN 71 Ca 0.59 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 59.59 1n0e h GLN 71 Cb 1.13 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.52 1n0e h GLN 71 CO -0.37 0.46 -0.20 -0.44 -1.50 0.00 0.00 178.83 176.78 1n0e h ASP 72 N 0.58 0.48 -0.28 1.46 3.32 -1.50 -1.59 116.42 118.90 1n0e h ASP 72 Ca 0.16 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1n0e h ASP 72 Cb 0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1n0e h ASP 72 CO -0.03 0.69 0.01 0.15 -1.72 0.00 0.00 179.24 178.34 1n0e h PHE 73 N 0.44 0.62 0.08 4.55 3.57 -0.48 0.24 116.94 125.95 1n0e h PHE 73 Ca 0.07 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n0e h PHE 73 Cb 0.60 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1n0e h PHE 73 CO 0.02 0.59 -0.10 0.37 -2.23 0.00 0.00 178.31 176.97 1n0e h GLN 74 N 0.57 -0.19 -0.65 1.11 5.75 -0.10 -0.86 115.11 120.73 1n0e h GLN 74 Ca 0.12 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1n0e h GLN 74 Cb 0.35 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1n0e h GLN 74 CO 0.01 -0.13 0.17 0.87 -2.65 0.00 0.00 178.83 177.10 1n0e h LYS 75 N -0.20 1.03 -0.23 1.69 1.57 -0.64 -2.59 116.57 117.20 1n0e h LYS 75 Ca 0.01 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1n0e h LYS 75 Cb 0.21 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1n0e h LYS 75 CO -0.04 0.92 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.80 1n0e h TYR 76 N 0.95 -0.09 -0.56 -1.35 3.20 -0.26 -2.74 116.97 116.12 1n0e h TYR 76 Ca 0.20 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1n0e h TYR 76 Cb 0.35 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1n0e h TYR 76 CO 0.03 -0.08 0.33 0.35 -1.64 0.00 0.00 178.16 177.15 1n0e h PHE 77 N 0.02 0.62 -0.99 -3.82 3.57 -0.96 -2.57 116.94 112.82 1n0e h PHE 77 Ca 0.11 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.79 1n0e h PHE 77 Cb 0.16 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.60 1n0e h PHE 77 CO -0.22 0.35 0.62 0.93 -2.23 0.00 0.00 178.31 177.75 1n0e h GLU 78 N 0.66 0.78 -0.06 1.11 5.08 -1.16 0.44 114.58 121.42 1n0e h GLU 78 Ca 0.23 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1n0e h GLU 78 Cb 0.04 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1n0e h GLU 78 CO -0.11 0.52 0.19 1.96 -1.00 0.00 0.00 179.01 180.57 1n0e h GLN 79 N 0.80 0.00 0.00 2.33 4.20 -1.33 -0.11 115.11 121.00 1n0e h GLN 79 Ca 0.54 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 59.07 1n0e h GLN 79 Cb 0.78 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1n0e h GLN 79 CO -0.31 0.00 -0.88 0.74 -0.67 0.00 0.00 178.83 177.70 1n0e h PHE 80 N 0.00 0.00 0.00 2.96 0.04 -0.20 -3.28 116.94 116.46 1n0e h PHE 80 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1n0e h PHE 80 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1n0e h PHE 80 CO 0.00 0.83 0.00 0.09 -0.60 0.00 0.00 178.31 178.63 1n0e n ASN 81 N -3.28 0.00 -0.07 2.17 4.13 -0.05 -1.07 115.26 117.08 1n0e n ASN 81 Ca -0.00 -0.93 0.13 0.00 1.68 0.00 0.00 54.58 55.46 1n0e n ASN 81 Cb 0.88 0.00 0.36 0.00 -1.54 0.00 0.00 39.78 39.48 1n0e n ASN 81 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n0e n SER 82 N -0.79 0.55 -4.79 6.41 3.41 -1.24 -4.81 113.62 112.36 1n0e n SER 82 Ca 0.09 -0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 57.99 1n0e n SER 82 Cb 0.04 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1n0e n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n0e s PHE 83 N -2.83 3.68 0.00 7.33 0.08 -0.24 -5.03 117.98 120.97 1n0e s PHE 83 Ca 0.16 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1n0e s PHE 83 Cb 0.18 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1n0e s PHE 83 CO 0.62 0.47 0.30 -2.30 -0.10 0.00 0.00 175.22 174.21 1n0e n PRO 84 N 2.42 0.00 0.00 0.24 -0.02 -1.26 -4.85 135.00 131.53 1n0e n PRO 84 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1n0e n PRO 84 Cb 0.52 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 1n0e n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n0e n SER 85 N -1.82 0.00 0.07 2.55 2.88 -1.26 -4.66 113.62 111.38 1n0e n SER 85 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1n0e n SER 85 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 1n0e n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0e n THR 86 N 0.00 0.43 -3.00 2.46 -2.24 -1.26 -4.64 114.28 106.03 1n0e n THR 86 Ca 0.00 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1n0e n THR 86 Cb 0.00 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1n0e n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n0e s GLN 87 N -3.10 4.39 0.23 -0.78 -1.52 -1.26 -4.98 119.66 112.64 1n0e s GLN 87 Ca 0.10 0.91 -0.07 0.00 -1.95 0.00 0.00 55.36 54.35 1n0e s GLN 87 Cb 0.14 -3.49 0.37 0.00 -0.22 0.00 0.00 33.01 29.80 1n0e s GLN 87 CO 0.62 -0.06 1.72 -0.22 -0.25 0.00 0.00 175.29 177.10 1n0e h LYS 88 N 6.96 0.35 -0.90 2.91 3.64 -2.01 -1.67 116.57 125.86 1n0e h LYS 88 Ca -0.37 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1n0e h LYS 88 Cb 1.18 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 1n0e h LYS 88 CO 0.77 0.23 0.60 -0.44 -2.27 0.00 0.00 179.45 178.34 1n0e h ASP 89 N 0.36 1.01 -0.48 4.20 3.32 -1.96 -0.79 116.42 122.09 1n0e h ASP 89 Ca 0.36 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.40 1n0e h ASP 89 Cb 0.53 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1n0e h ASP 89 CO -0.39 0.72 0.30 0.74 -1.72 0.00 0.00 179.24 178.89 1n0e h THR 90 N 1.19 1.10 -0.56 0.35 2.02 -1.67 0.12 112.91 115.45 1n0e h THR 90 Ca 0.34 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 1n0e h THR 90 Cb -0.08 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1n0e h THR 90 CO -0.09 0.11 0.14 0.03 0.37 0.00 0.00 175.52 176.08 1n0e h ARG 91 N 0.62 0.85 -0.32 6.66 3.08 -1.08 -0.16 114.38 124.02 1n0e h ARG 91 Ca 0.18 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1n0e h ARG 91 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1n0e h ARG 91 CO -0.06 0.77 -0.15 1.15 -1.07 0.00 0.00 179.97 180.61 1n0e h THR 92 N 0.82 1.29 0.13 2.04 2.02 -0.42 -1.46 112.91 117.33 1n0e h THR 92 Ca 0.18 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1n0e h THR 92 Cb 0.30 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1n0e h THR 92 CO -0.00 0.41 -0.10 0.25 0.37 0.00 0.00 175.52 176.44 1n0e h LEU 93 N 0.44 -0.27 -1.89 2.58 5.85 -0.45 0.90 115.31 122.48 1n0e h LEU 93 Ca 0.07 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1n0e h LEU 93 Cb 0.68 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1n0e h LEU 93 CO 0.05 -0.16 -0.08 0.11 -0.34 0.00 0.00 178.44 178.02 1n0e h LYS 94 N -0.24 0.00 0.07 1.25 1.57 -1.00 -1.44 116.57 116.77 1n0e h LYS 94 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1n0e h LYS 94 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1n0e h LYS 94 CO -0.01 0.08 -1.25 0.00 -0.57 0.00 0.00 179.45 177.69 1n0e h ARG 95 N 0.00 0.14 0.00 3.15 3.08 -0.72 -2.52 114.38 117.51 1n0e h ARG 95 Ca -0.00 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1n0e h ARG 95 Cb 0.14 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1n0e h ARG 95 CO 0.01 1.05 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.42 1n0e h LEU 96 N 0.04 0.00 0.00 3.04 3.38 -0.36 -3.06 115.31 118.35 1n0e h LEU 96 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1n0e h LEU 96 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1n0e h LEU 96 CO 0.16 0.48 -0.09 0.40 0.09 0.00 0.00 178.44 179.48 1n0e h ILE 97 N 0.00 0.00 0.00 1.22 2.04 -1.32 -3.38 117.51 116.07 1n0e h ILE 97 Ca -0.00 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1n0e h ILE 97 Cb 1.05 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1n0e h ILE 97 CO 0.06 0.00 -0.13 -0.26 0.00 0.00 0.00 178.15 177.82 1n0e h PHE 98 N -0.28 0.00 0.00 1.37 0.04 -1.62 -1.55 116.94 114.89 1n0e h PHE 98 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n0e h PHE 98 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1n0e h PHE 98 CO -0.04 0.13 0.00 0.00 -0.60 0.00 0.00 178.31 177.80 1n0e h ALA 99 N 1.87 1.00 -0.22 2.45 0.00 -1.70 -2.85 119.26 119.81 1n0e h ALA 99 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1n0e h ALA 99 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1n0e h ALA 99 CO 0.02 0.00 -0.21 0.09 0.00 0.00 0.00 179.25 179.15 1n0e n ASN 100 N -2.59 2.28 -4.60 0.00 3.02 -0.60 -4.99 115.26 107.77 1n0e n ASN 100 Ca 0.03 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.51 1n0e n ASN 100 Cb 0.33 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1n0e n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0e s ALA 101 N -3.21 3.02 0.01 5.41 0.00 -1.08 -3.07 121.76 122.84 1n0e s ALA 101 Ca 0.42 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 1n0e s ALA 101 Cb 0.39 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1n0e s ALA 101 CO -0.02 0.63 0.27 -0.80 0.00 0.00 0.00 175.76 175.85 1n0e s ASN 102 N -1.79 -0.12 0.14 0.00 -0.87 -1.26 -4.80 114.94 106.23 1n0e s ASN 102 Ca 0.20 -0.06 -0.23 0.00 -1.57 0.00 0.00 52.86 51.19 1n0e s ASN 102 Cb -0.11 0.30 -0.08 0.00 -0.02 0.00 0.00 41.25 41.35 1n0e s ASN 102 CO 0.11 -0.49 0.71 -0.36 -2.57 0.00 0.00 177.10 174.50 1n0e s PHE 103 N -1.73 3.87 -0.04 2.20 0.08 -1.26 -0.88 117.98 120.22 1n0e s PHE 103 Ca -0.11 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 58.44 1n0e s PHE 103 Cb -0.04 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1n0e s PHE 103 CO 0.01 0.54 0.07 0.08 -0.10 0.00 0.00 175.22 175.82 1n0e s VAL 104 N -1.14 -0.06 0.09 -0.44 1.01 0.18 -4.95 120.40 115.08 1n0e s VAL 104 Ca 0.34 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 1n0e s VAL 104 Cb -0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 1n0e s VAL 104 CO 0.24 0.09 0.87 -1.81 0.00 0.00 0.00 175.10 174.49 1n0e s ASP 105 N 1.14 7.38 -0.41 3.32 1.01 -1.26 -0.49 116.67 127.36 1n0e s ASP 105 Ca -0.09 1.65 -0.24 0.00 0.71 0.00 0.00 52.55 54.58 1n0e s ASP 105 Cb -0.13 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.29 1n0e s ASP 105 CO -0.04 -0.02 0.83 -0.69 0.21 0.00 0.00 175.17 175.46 1n0e s VAL 106 N -0.09 4.64 1.38 -1.27 1.01 0.52 -4.62 120.40 121.98 1n0e s VAL 106 Ca 0.43 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 1n0e s VAL 106 Cb -0.22 -4.30 0.35 0.00 0.00 0.00 0.00 36.38 32.21 1n0e s VAL 106 CO 0.27 -0.61 0.97 1.51 0.00 0.00 0.00 175.10 177.24 1n0e s ASP 107 N 2.02 -0.70 0.42 3.32 3.84 -0.39 -4.78 116.67 120.39 1n0e s ASP 107 Ca 0.33 0.78 0.12 0.00 -0.00 0.00 0.00 52.55 53.78 1n0e s ASP 107 Cb -0.12 -1.09 0.98 0.00 -1.38 0.00 0.00 42.92 41.30 1n0e s ASP 107 CO 0.21 -5.14 1.97 0.71 -0.00 0.00 0.00 175.17 172.92 1n0e h THR 108 N -3.27 0.91 -0.18 2.11 1.35 -1.95 -1.39 112.91 110.49 1n0e h THR 108 Ca -0.43 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1n0e h THR 108 Cb 1.33 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1n0e h THR 108 CO 0.29 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.64 1n0e n ALA 109 N -2.50 2.50 -1.01 6.62 0.00 -1.26 -4.88 120.51 119.97 1n0e n ALA 109 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 1n0e n ALA 109 Cb 0.36 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1n0e n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0e n GLY 110 N 0.90 0.47 3.87 0.00 0.00 -0.52 -4.77 105.19 105.15 1n0e n GLY 110 Ca 0.10 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1n0e n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0e s ARG 111 N -0.82 3.82 -0.06 1.61 0.52 -1.26 -0.35 118.95 122.40 1n0e s ARG 111 Ca 0.00 0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 1n0e s ARG 111 Cb 0.00 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 33.00 1n0e s ARG 111 CO 0.00 0.11 -0.08 0.08 0.02 0.00 0.00 175.30 175.43 1n0e s VAL 112 N -2.13 0.84 -0.34 3.52 1.01 0.30 -1.26 120.40 122.35 1n0e s VAL 112 Ca 0.50 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1n0e s VAL 112 Cb -0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1n0e s VAL 112 CO 0.26 0.30 0.51 -0.22 0.00 0.00 0.00 175.10 175.95 1n0e s LEU 113 N 0.93 4.32 -0.09 3.92 0.20 -1.26 -0.88 118.68 125.81 1n0e s LEU 113 Ca -0.10 0.02 -0.27 0.00 0.69 0.00 0.00 54.13 54.47 1n0e s LEU 113 Cb -0.15 -2.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 1n0e s LEU 113 CO 0.01 -0.46 0.88 -0.63 -0.29 0.00 0.00 176.35 175.85 1n0e s ILE 114 N 2.39 4.89 0.59 6.68 1.01 -0.17 -4.99 121.20 131.61 1n0e s ILE 114 Ca 0.19 1.78 -0.19 0.00 0.00 0.00 0.00 60.65 62.43 1n0e s ILE 114 Cb -0.15 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1n0e s ILE 114 CO 0.13 0.10 0.98 -2.65 0.00 0.00 0.00 174.94 173.50 1n0e n PRO 115 N 4.57 0.94 -0.09 2.79 -0.02 -1.26 -4.72 135.00 137.21 1n0e n PRO 115 Ca 0.05 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1n0e n PRO 115 Cb 0.50 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1n0e n PRO 115 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1n0e h ASN 116 N 0.57 -1.48 -0.93 2.55 2.35 -1.97 0.14 115.58 116.82 1n0e h ASN 116 Ca -0.48 0.21 0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1n0e h ASN 116 Cb 1.36 0.63 -0.08 0.00 0.05 0.00 0.00 38.32 40.27 1n0e h ASN 116 CO 0.51 -0.39 0.56 -0.55 -1.65 0.00 0.00 177.43 175.91 1n0e h ASN 117 N -0.39 0.79 0.42 5.81 -0.00 -2.00 -1.01 115.58 119.20 1n0e h ASN 117 Ca 0.11 0.06 -0.18 0.00 -0.00 0.00 0.00 56.30 56.29 1n0e h ASN 117 Cb 0.60 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.82 1n0e h ASN 117 CO -0.53 0.41 -0.75 -0.07 -0.00 0.00 0.00 177.43 176.48 1n0e h LEU 118 N 0.87 0.33 -0.27 6.14 4.07 -1.71 -0.68 115.31 124.06 1n0e h LEU 118 Ca 0.47 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 58.22 1n0e h LEU 118 Cb 0.50 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1n0e h LEU 118 CO -0.28 0.96 0.13 0.40 -1.08 0.00 0.00 178.44 178.58 1n0e h ILE 119 N 0.18 0.99 -0.32 1.22 1.08 0.22 -1.78 117.51 119.11 1n0e h ILE 119 Ca -0.03 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1n0e h ILE 119 Cb 1.33 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1n0e h ILE 119 CO 0.12 0.05 0.07 0.78 -0.69 0.00 0.00 178.15 178.48 1n0e h ASN 120 N 0.28 0.49 -0.51 1.72 2.35 -1.13 -0.10 115.58 118.69 1n0e h ASN 120 Ca 0.11 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1n0e h ASN 120 Cb 0.03 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1n0e h ASN 120 CO -0.08 0.61 0.34 0.44 -1.65 0.00 0.00 177.43 177.09 1n0e h ASP 121 N 0.36 0.47 -0.65 5.81 5.19 -0.84 -1.48 116.42 125.28 1n0e h ASP 121 Ca 0.10 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1n0e h ASP 121 Cb 0.31 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1n0e h ASP 121 CO 0.00 0.32 0.00 0.00 -3.12 0.00 0.00 179.24 176.44 1n0e n ALA 122 N -2.48 2.38 -3.87 3.45 0.00 -0.69 -4.75 120.51 114.54 1n0e n ALA 122 Ca 0.06 -1.24 -0.30 0.00 0.00 0.00 0.00 53.44 51.96 1n0e n ALA 122 Cb 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1n0e n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n0e n LYS 123 N 1.59 -4.61 -2.37 0.00 4.76 -0.56 -4.33 118.16 112.65 1n0e n LYS 123 Ca 0.23 0.54 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 1n0e n LYS 123 Cb 0.62 -5.36 -0.03 0.00 -1.84 0.00 0.00 35.03 28.41 1n0e n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n0e s LEU 124 N -7.14 4.42 0.00 -0.35 1.02 -0.13 -4.81 118.68 111.70 1n0e s LEU 124 Ca 0.63 2.19 0.00 0.00 0.02 0.00 0.00 54.13 56.97 1n0e s LEU 124 Cb -0.33 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.29 1n0e s LEU 124 CO 0.78 -0.43 0.00 -0.67 0.02 0.00 0.00 176.35 176.06 1n0e n ASP 125 N 3.02 0.00 -3.71 2.29 2.03 -1.26 -4.81 116.55 114.12 1n0e n ASP 125 Ca 0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.25 1n0e n ASP 125 Cb 0.45 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.75 1n0e n ASP 125 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1n0e s LYS 126 N -0.11 0.53 0.00 -0.67 2.20 -1.26 -4.62 119.74 115.80 1n0e s LYS 126 Ca 0.00 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1n0e s LYS 126 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1n0e s LYS 126 CO 0.00 -0.09 0.00 0.39 -0.36 0.00 0.00 175.35 175.29 1n0e n GLU 127 N 3.15 0.00 -4.28 4.03 1.02 -1.25 -4.80 120.64 118.51 1n0e n GLU 127 Ca -0.15 0.35 -0.28 0.00 -0.02 0.00 0.00 57.16 57.05 1n0e n GLU 127 Cb 0.57 -0.69 -0.10 0.00 -0.02 0.00 0.00 31.44 31.19 1n0e n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n0e s ILE 128 N 0.00 3.12 -0.11 -3.67 -1.09 0.20 -1.68 121.20 117.96 1n0e s ILE 128 Ca 0.00 -1.54 0.02 0.00 -2.23 0.00 0.00 60.65 56.90 1n0e s ILE 128 Cb 0.00 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 1n0e s ILE 128 CO 0.00 -0.01 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.83 1n0e s VAL 129 N -1.45 1.72 -0.20 2.92 1.01 0.40 -1.15 120.40 123.65 1n0e s VAL 129 Ca 0.22 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1n0e s VAL 129 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1n0e s VAL 129 CO 0.13 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 174.97 1n0e s LEU 130 N 0.80 3.28 -0.08 3.92 1.43 0.41 0.07 118.68 128.52 1n0e s LEU 130 Ca -0.09 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1n0e s LEU 130 Cb -0.16 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1n0e s LEU 130 CO 0.01 0.06 -0.23 0.27 0.23 0.00 0.00 176.35 176.69 1n0e s ILE 131 N 1.04 1.91 -0.17 -0.59 -4.36 -0.78 -0.15 121.20 118.10 1n0e s ILE 131 Ca 0.02 -0.95 -0.26 0.00 -0.26 0.00 0.00 60.65 59.20 1n0e s ILE 131 Cb -0.14 -1.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 1n0e s ILE 131 CO 0.02 0.53 0.86 -0.83 0.24 0.00 0.00 174.94 175.76 1n0e s GLY 132 N 0.19 2.08 -0.46 6.27 0.00 -0.05 -1.15 107.32 114.20 1n0e s GLY 132 Ca -0.13 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.69 1n0e s GLY 132 CO 0.06 1.73 1.64 -1.06 0.00 0.00 0.00 173.10 175.48 1n0e n GLN 133 N 5.32 2.83 0.00 2.90 1.13 0.50 -4.42 117.38 125.63 1n0e n GLN 133 Ca 0.05 -3.56 0.00 0.00 -1.94 0.00 0.00 57.00 51.56 1n0e n GLN 133 Cb 0.48 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.64 1n0e n GLN 133 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1n0e n PHE 134 N -0.90 0.00 -0.13 1.08 7.35 -0.15 -3.37 117.46 121.33 1n0e n PHE 134 Ca 0.51 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 57.11 1n0e n PHE 134 Cb 0.91 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.72 1n0e n PHE 134 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1n0e h ASP 135 N 0.00 0.53 -3.81 -2.13 3.32 -1.94 -3.06 116.42 109.34 1n0e h ASP 135 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 57.03 56.57 1n0e h ASP 135 Cb 0.00 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.33 1n0e h ASP 135 CO 0.00 0.56 -0.29 0.00 -1.72 0.00 0.00 179.24 177.79 1n0e n HIS 136 N -4.65 -0.42 -4.72 4.55 1.44 -1.22 -4.78 115.22 105.43 1n0e n HIS 136 Ca -0.01 -1.73 -0.23 0.00 -2.01 0.00 0.00 57.72 53.74 1n0e n HIS 136 Cb 0.15 0.16 -0.15 0.00 0.12 0.00 0.00 29.99 30.27 1n0e n HIS 136 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1n0e s LEU 137 N 0.00 2.04 -0.03 2.39 0.20 -0.17 -0.37 118.68 122.74 1n0e s LEU 137 Ca 0.23 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.77 1n0e s LEU 137 Cb 0.01 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.94 1n0e s LEU 137 CO 0.16 0.18 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.75 1n0e s GLU 138 N -0.42 2.71 -0.20 1.98 2.02 -0.30 0.56 118.70 125.05 1n0e s GLU 138 Ca 0.06 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1n0e s GLU 138 Cb -0.06 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1n0e s GLU 138 CO -0.00 0.64 -0.02 0.42 0.02 0.00 0.00 175.26 176.31 1n0e s ILE 139 N -0.95 3.73 0.17 -1.63 1.01 -0.70 -1.87 121.20 120.97 1n0e s ILE 139 Ca 0.16 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1n0e s ILE 139 Cb -0.11 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1n0e s ILE 139 CO 0.06 0.43 -0.14 0.26 0.00 0.00 0.00 174.94 175.55 1n0e s TRP 140 N 1.10 1.56 -0.02 3.97 0.52 0.11 -4.11 118.94 122.07 1n0e s TRP 140 Ca 0.02 -0.61 -0.30 0.00 0.02 0.00 0.00 56.10 55.23 1n0e s TRP 140 Cb -0.14 -0.76 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1n0e s TRP 140 CO 0.01 0.25 0.99 0.34 0.02 0.00 0.00 176.95 178.56 1n0e s ASP 141 N -3.09 7.35 0.25 2.95 2.15 -1.26 -0.46 116.67 124.56 1n0e s ASP 141 Ca 0.18 1.63 -0.05 0.00 0.43 0.00 0.00 52.55 54.75 1n0e s ASP 141 Cb -0.01 -2.57 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 1n0e s ASP 141 CO 0.05 -0.30 1.66 0.50 -0.17 0.00 0.00 175.17 176.91 1n0e h LYS 142 N 6.86 0.18 0.83 4.34 3.64 -1.63 -1.58 116.57 129.21 1n0e h LYS 142 Ca -0.39 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1n0e h LYS 142 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1n0e h LYS 142 CO 0.77 0.12 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.42 1n0e h LYS 143 N 0.19 -1.11 -1.02 1.90 1.63 -1.92 -2.07 116.57 114.17 1n0e h LYS 143 Ca 0.43 0.08 0.25 0.00 -0.85 0.00 0.00 60.65 60.56 1n0e h LYS 143 Cb 0.77 0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 32.54 1n0e h LYS 143 CO -0.59 -0.74 0.64 -0.07 -3.45 0.00 0.00 179.45 175.24 1n0e h LEU 144 N -1.15 0.55 -0.13 5.20 4.07 -1.88 -0.10 115.31 121.87 1n0e h LEU 144 Ca -0.11 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1n0e h LEU 144 Cb 0.89 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 1n0e h LEU 144 CO 0.17 0.11 -0.08 0.22 -1.08 0.00 0.00 178.44 177.78 1n0e h TYR 145 N 0.49 0.32 -0.47 1.13 3.20 -1.12 0.03 116.97 120.54 1n0e h TYR 145 Ca 0.61 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 62.33 1n0e h TYR 145 Cb 1.36 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 1n0e h TYR 145 CO -0.00 0.63 0.05 0.93 -1.64 0.00 0.00 178.16 178.13 1n0e h GLU 146 N -0.09 0.75 -0.24 1.82 5.08 -0.56 0.38 114.58 121.73 1n0e h GLU 146 Ca 0.03 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1n0e h GLU 146 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1n0e h GLU 146 CO 0.02 0.73 0.10 -0.44 -1.00 0.00 0.00 179.01 178.42 1n0e h ASP 147 N 0.72 0.32 -0.39 1.42 3.32 -0.94 0.68 116.42 121.54 1n0e h ASP 147 Ca 0.15 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1n0e h ASP 147 Cb 0.36 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1n0e h ASP 147 CO 0.01 0.39 0.02 0.22 -1.72 0.00 0.00 179.24 178.16 1n0e h TYR 148 N 0.24 0.02 -0.54 4.55 3.20 -0.25 0.15 116.97 124.34 1n0e h TYR 148 Ca 0.08 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1n0e h TYR 148 Cb 0.16 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1n0e h TYR 148 CO -0.01 -0.05 0.07 -0.07 -1.64 0.00 0.00 178.16 176.46 1n0e h LEU 149 N 0.13 0.88 -0.03 2.82 4.07 -0.60 -3.12 115.31 119.46 1n0e h LEU 149 Ca 0.19 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.91 1n0e h LEU 149 Cb 0.26 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1n0e h LEU 149 CO -0.30 0.92 -0.18 0.00 -1.08 0.00 0.00 178.44 177.81 1n0e h ALA 150 N 0.98 -0.20 -3.00 1.53 0.00 0.16 -3.40 119.26 115.34 1n0e h ALA 150 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1n0e h ALA 150 Cb 0.43 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1n0e h ALA 150 CO 0.01 -0.66 0.00 0.09 0.00 0.00 0.00 179.25 178.69 1n0e n ASN 151 N -5.31 0.00 -1.37 0.00 3.02 0.40 -4.96 115.26 107.03 1n0e n ASN 151 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1n0e n ASN 151 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1n0e n ASN 151 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1n0e n SER 152 N 0.00 -6.12 -4.04 6.41 2.88 -1.22 -4.92 113.62 106.61 1n0e n SER 152 Ca 0.00 0.80 -0.30 0.00 -1.33 0.00 0.00 58.87 58.05 1n0e n SER 152 Cb 0.00 -3.27 0.22 0.00 -0.75 0.00 0.00 64.21 60.42 1n0e n SER 152 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1n0e s GLU 153 N -1.80 -0.79 0.92 -1.46 2.02 -1.26 -5.01 118.70 111.31 1n0e s GLU 153 Ca 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 1n0e s GLU 153 Cb 0.00 -1.64 0.14 0.00 0.10 0.00 0.00 34.13 32.73 1n0e s GLU 153 CO 0.00 -3.45 1.09 -1.54 0.02 0.00 0.00 175.26 171.38 1n0e s SER 154 N -3.81 3.23 0.09 -0.19 1.04 -1.26 -4.82 113.70 107.98 1n0e s SER 154 Ca 0.70 1.62 -0.20 0.00 0.48 0.00 0.00 55.95 58.55 1n0e s SER 154 Cb -0.12 -2.27 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1n0e s SER 154 CO 0.56 -2.81 1.63 0.25 0.98 0.00 0.00 173.24 173.85 1n0e h LEU 155 N -1.67 0.30 -0.37 2.42 5.85 -1.99 -1.65 115.31 118.20 1n0e h LEU 155 Ca -0.49 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 1n0e h LEU 155 Cb 1.28 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1n0e h LEU 155 CO 0.52 0.40 0.20 -0.33 -0.34 0.00 0.00 178.44 178.89 1n0e h GLU 156 N 0.19 0.52 0.18 1.25 3.07 -1.98 -1.33 114.58 116.47 1n0e h GLU 156 Ca 0.07 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1n0e h GLU 156 Cb 0.19 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1n0e h GLU 156 CO -0.00 0.43 -0.10 1.15 -1.40 0.00 0.00 179.01 179.09 1n0e h THR 157 N 0.47 0.80 0.07 1.13 2.02 -1.91 0.09 112.91 115.58 1n0e h THR 157 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1n0e h THR 157 Cb 0.07 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1n0e h THR 157 CO -0.02 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.42 1n0e h VAL 158 N -0.25 0.96 -0.87 3.16 2.07 -1.27 -2.91 116.25 117.13 1n0e h VAL 158 Ca -0.02 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1n0e h VAL 158 Cb 0.20 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1n0e h VAL 158 CO 0.03 0.02 0.52 0.00 0.02 0.00 0.00 177.57 178.16 1n0e h ALA 159 N 0.79 1.25 -0.00 1.67 0.00 -1.16 -1.11 119.26 120.70 1n0e h ALA 159 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n0e h ALA 159 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n0e h ALA 159 CO 0.02 0.16 0.01 1.49 0.00 0.00 0.00 179.25 180.93 1n0e h GLU 160 N 0.87 0.00 0.00 0.00 4.57 -0.76 -0.62 114.58 118.64 1n0e h GLU 160 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1n0e h GLU 160 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1n0e h GLU 160 CO -0.24 0.00 -0.51 0.54 -1.18 0.00 0.00 179.01 177.62 1n0e n ARG 161 N -3.26 0.07 0.00 1.92 1.74 -0.42 -5.11 116.66 111.59 1n0e n ARG 161 Ca -0.03 0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1n0e n ARG 161 Cb 0.08 -1.54 0.25 0.00 -1.02 0.00 0.00 32.46 30.23 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78