#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 2.40 0.46 0.52 -4.23 -1.26 -4.74 115.64 108.79 1n0e s THR 16 Ca 0.00 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 60.97 1n0e s THR 16 Cb 0.00 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 71.12 1n0e s THR 16 CO 0.00 -0.07 2.08 0.71 -0.54 0.00 0.00 174.62 176.80 1n0e h THR 17 N 0.42 0.77 -0.23 3.99 1.35 -2.05 0.86 112.91 118.02 1n0e h THR 17 Ca -0.50 -0.46 -0.03 0.00 -0.55 0.00 0.00 66.41 64.87 1n0e h THR 17 Cb 1.31 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 1n0e h THR 17 CO 0.53 0.12 0.01 -0.08 -0.25 0.00 0.00 175.52 175.84 1n0e h GLU 18 N 0.00 0.40 0.17 4.72 4.81 -2.00 -1.56 114.58 121.11 1n0e h GLU 18 Ca -0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1n0e h GLU 18 Cb 0.26 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1n0e h GLU 18 CO 0.02 0.57 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.88 1n0e h ASN 19 N 0.18 -0.19 -0.75 1.04 2.35 -1.64 -2.76 115.58 113.80 1n0e h ASN 19 Ca 0.07 -0.10 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1n0e h ASN 19 Cb 0.38 0.05 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 1n0e h ASN 19 CO 0.01 -0.01 -0.03 0.25 -1.65 0.00 0.00 177.43 175.99 1n0e h LEU 20 N -0.36 -0.41 -1.06 1.61 6.46 -0.83 0.21 115.31 120.92 1n0e h LEU 20 Ca -0.02 0.20 0.10 0.00 -0.12 0.00 0.00 57.88 58.03 1n0e h LEU 20 Cb 0.28 0.37 -0.07 0.00 -0.73 0.00 0.00 40.66 40.50 1n0e h LEU 20 CO 0.04 -0.20 0.62 0.22 -0.62 0.00 0.00 178.44 178.51 1n0e h TYR 21 N 0.08 1.12 0.14 1.25 5.03 -1.00 -2.50 116.97 121.08 1n0e h TYR 21 Ca 0.40 0.03 -0.29 0.00 2.58 0.00 0.00 58.73 61.45 1n0e h TYR 21 Cb 0.70 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1n0e h TYR 21 CO -0.45 0.51 -1.39 0.74 -1.32 0.00 0.00 178.16 176.24 1n0e h PHE 22 N 1.03 0.53 -0.10 -3.82 0.04 -0.50 -3.18 116.94 110.94 1n0e h PHE 22 Ca 0.45 -0.38 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1n0e h PHE 22 Cb 0.36 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1n0e h PHE 22 CO -0.00 1.35 0.10 1.96 -0.60 0.00 0.00 178.31 181.12 1n0e h GLN 23 N 0.08 0.00 -0.00 1.51 4.20 -0.57 0.86 115.11 121.18 1n0e h GLN 23 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1n0e h GLN 23 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 1n0e h GLN 23 CO 0.19 0.00 -0.26 0.41 -0.67 0.00 0.00 178.83 178.50 1n0e n GLY 24 N -1.40 -0.88 0.06 3.46 0.00 -0.97 -3.49 105.19 101.98 1n0e n GLY 24 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.96 0.00 -3.84 1.61 8.25 0.27 -4.78 115.22 115.78 1n0e n HIS 25 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1n0e n HIS 25 Cb 0.33 -0.68 -0.12 0.00 1.12 0.00 0.00 29.99 30.64 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 -2.48 0.26 -0.36 -0.41 0.00 0.24 -4.98 119.30 111.57 1n0e s MET 26 Ca -0.07 0.03 -0.13 0.00 0.00 0.00 0.00 55.69 55.52 1n0e s MET 26 Cb 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 34.83 35.00 1n0e s MET 26 CO 0.62 -0.05 0.25 -0.51 0.00 0.00 0.00 175.02 175.33 1n0e s LEU 27 N -0.34 4.67 0.08 0.18 1.43 -1.16 -4.53 118.68 119.01 1n0e s LEU 27 Ca -0.04 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1n0e s LEU 27 Cb -0.03 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1n0e s LEU 27 CO 0.01 -0.31 -0.08 -0.76 0.23 0.00 0.00 176.35 175.44 1n0e s LEU 28 N 1.68 2.39 0.00 1.79 1.43 -1.26 -0.71 118.68 124.00 1n0e s LEU 28 Ca 0.05 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1n0e s LEU 28 Cb -0.18 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.89 1n0e s LEU 28 CO 0.10 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1n0e n GLY 29 N 0.67 2.22 3.33 -3.19 0.00 -1.26 -4.59 105.19 102.36 1n0e n GLY 29 Ca -0.17 -1.96 -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 -2.67 2.41 -0.04 2.61 2.01 -1.26 -0.78 115.64 117.92 1n0e s THR 30 Ca 0.00 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1n0e s THR 30 Cb 0.00 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.62 1n0e s THR 30 CO 0.00 0.57 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.10 1n0e s PHE 31 N -0.24 0.67 -0.27 4.92 0.08 0.71 -4.95 117.98 118.90 1n0e s PHE 31 Ca -0.01 -0.16 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 1n0e s PHE 31 Cb -0.13 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 1n0e s PHE 31 CO 0.03 -0.15 0.15 -0.80 -0.10 0.00 0.00 175.22 174.35 1n0e s ASN 32 N 0.74 5.75 0.28 1.36 0.01 -1.26 -0.29 114.94 121.54 1n0e s ASN 32 Ca -0.10 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 1n0e s ASN 32 Cb -0.13 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 1n0e s ASN 32 CO 0.00 -0.03 0.22 0.27 -1.51 0.00 0.00 177.10 176.05 1n0e s ILE 33 N 1.63 0.00 0.05 0.60 -4.36 -0.49 -4.98 121.20 113.64 1n0e s ILE 33 Ca 0.07 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.51 1n0e s ILE 33 Cb -0.15 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1n0e s ILE 33 CO 0.08 0.00 -0.07 -0.89 0.24 0.00 0.00 174.94 174.30 1n0e s THR 34 N -3.73 3.59 -0.11 8.37 2.01 -1.26 0.55 115.64 125.07 1n0e s THR 34 Ca 0.40 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 1n0e s THR 34 Cb 0.04 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1n0e s THR 34 CO 0.22 0.27 0.87 -0.22 -0.69 0.00 0.00 174.62 175.06 1n0e s LEU 35 N -1.78 4.25 1.02 4.42 2.96 -1.26 -4.69 118.68 123.60 1n0e s LEU 35 Ca 0.20 1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 55.31 1n0e s LEU 35 Cb -0.11 -3.33 0.14 0.00 0.50 0.00 0.00 46.19 43.39 1n0e s LEU 35 CO 0.11 -0.34 0.68 -0.67 -1.32 0.00 0.00 176.35 174.81 1n0e n ASP 36 N 4.72 -1.36 0.25 3.68 2.03 0.17 -4.86 116.55 121.18 1n0e n ASP 36 Ca 0.05 0.16 0.14 0.00 0.52 0.00 0.00 54.79 55.66 1n0e n ASP 36 Cb 0.50 -1.25 0.50 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.01 0.99 -0.48 -1.67 0.00 -1.95 -2.30 119.26 111.84 1n0e h ALA 37 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1n0e h ALA 37 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1n0e h ALA 37 CO 0.40 0.09 0.01 1.63 0.00 0.00 0.00 179.25 181.38 1n0e n LYS 38 N -3.17 4.21 -3.15 0.00 5.02 -1.26 -4.93 118.16 114.88 1n0e n LYS 38 Ca 0.01 -3.07 -0.16 0.00 -2.02 0.00 0.00 58.31 53.08 1n0e n LYS 38 Cb 0.40 -2.13 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.21 -4.89 -4.47 4.39 5.03 -0.87 -4.82 115.26 109.85 1n0e n ASN 39 Ca 0.26 -0.33 -0.26 0.00 0.87 0.00 0.00 54.58 55.12 1n0e n ASN 39 Cb 1.11 -3.52 -0.11 0.00 -1.02 0.00 0.00 39.78 36.24 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 -5.78 1.67 0.03 3.52 0.52 -1.26 -0.63 118.95 117.03 1n0e s ARG 40 Ca 0.36 -1.56 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 1n0e s ARG 40 Cb -0.16 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 1n0e s ARG 40 CO 0.44 0.38 -0.20 0.96 0.02 0.00 0.00 175.30 176.91 1n0e s ILE 41 N -1.96 1.58 -0.25 1.52 -4.36 0.03 0.46 121.20 118.22 1n0e s ILE 41 Ca 0.25 -1.10 -0.15 0.00 -0.26 0.00 0.00 60.65 59.38 1n0e s ILE 41 Cb -0.07 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1n0e s ILE 41 CO 0.13 0.23 0.39 -0.44 0.24 0.00 0.00 174.94 175.48 1n0e s SER 42 N -1.03 6.32 0.13 4.36 0.01 -1.26 -0.03 113.70 122.20 1n0e s SER 42 Ca 0.07 0.37 -0.31 0.00 1.31 0.00 0.00 55.95 57.39 1n0e s SER 42 Cb -0.08 -2.22 -0.10 0.00 0.21 0.00 0.00 66.02 63.82 1n0e s SER 42 CO 0.01 -0.16 1.78 -0.76 0.41 0.00 0.00 173.24 174.53 1n0e s LEU 43 N 1.85 4.39 0.11 2.44 1.43 0.14 -4.87 118.68 124.18 1n0e s LEU 43 Ca 0.16 2.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.88 1n0e s LEU 43 Cb -0.15 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.56 1n0e s LEU 43 CO 0.09 -0.98 0.86 -2.65 0.23 0.00 0.00 176.35 173.90 1n0e n PRO 44 N 5.36 -0.17 0.00 1.29 -0.02 -1.26 -4.63 135.00 135.56 1n0e n PRO 44 Ca 0.17 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1n0e n PRO 44 Cb 0.38 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 -3.66 0.00 0.31 3.55 0.00 -1.26 -4.83 120.51 114.62 1n0e n ALA 45 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1n0e n ALA 45 Cb 0.19 0.00 1.04 0.00 0.00 0.00 0.00 19.45 20.68 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 0.16 0.00 1.57 -1.99 -2.32 116.57 113.99 1n0e h LYS 46 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1n0e h LYS 46 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n0e h LYS 46 CO 0.00 0.01 -1.86 -0.07 -0.57 0.00 0.00 179.45 176.96 1n0e h LEU 47 N 0.00 0.53 -1.28 2.94 4.07 -1.90 -3.36 115.31 116.31 1n0e h LEU 47 Ca -0.00 -0.95 0.21 0.00 0.08 0.00 0.00 57.88 57.23 1n0e h LEU 47 Cb 0.04 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 41.52 1n0e h LEU 47 CO 0.00 1.82 0.62 0.03 -1.08 0.00 0.00 178.44 179.84 1n0e h ARG 48 N 0.09 0.53 -0.65 1.13 3.08 -1.68 0.91 114.38 117.79 1n0e h ARG 48 Ca -0.38 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.75 1n0e h ARG 48 Cb 2.07 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.92 1n0e h ARG 48 CO 0.14 0.35 0.21 0.00 -1.07 0.00 0.00 179.97 179.60 1n0e h ALA 49 N 1.62 0.83 -0.64 0.04 0.00 -1.69 -2.12 119.26 117.30 1n0e h ALA 49 Ca 0.54 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1n0e h ALA 49 Cb 1.15 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1n0e h ALA 49 CO -0.28 -0.24 0.43 0.35 0.00 0.00 0.00 179.25 179.50 1n0e h PHE 50 N 0.36 0.81 -3.37 0.00 3.57 -0.85 -3.43 116.94 114.04 1n0e h PHE 50 Ca 0.34 0.02 -0.55 0.00 3.53 0.00 0.00 57.97 61.31 1n0e h PHE 50 Cb 0.48 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1n0e h PHE 50 CO -0.20 0.51 -0.11 -0.06 -2.23 0.00 0.00 178.31 176.22 1n0e s PHE 51 N -6.15 3.52 0.00 0.41 0.08 -0.80 -4.93 117.98 110.11 1n0e s PHE 51 Ca -0.13 0.96 0.00 0.00 0.12 0.00 0.00 56.93 57.88 1n0e s PHE 51 Cb 0.14 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1n0e s PHE 51 CO 0.76 0.36 0.00 0.39 -0.10 0.00 0.00 175.22 176.63 1n0e n GLU 52 N 0.37 0.00 -0.06 0.44 4.71 -1.26 -4.90 120.64 119.94 1n0e n GLU 52 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.17 1n0e n GLU 52 Cb 0.52 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 31.03 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 0.71 3.02 0.62 0.00 -1.26 -4.83 105.19 108.44 1n0e n GLY 53 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.91 -0.06 0.11 1.61 0.15 -1.26 -0.54 113.70 112.79 1n0e s SER 54 Ca 0.15 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 1n0e s SER 54 Cb 0.10 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1n0e s SER 54 CO 0.14 -0.13 -0.00 0.27 1.20 0.00 0.00 173.24 174.72 1n0e s ILE 55 N -0.36 0.35 -0.07 6.45 -5.25 0.07 -4.40 121.20 117.99 1n0e s ILE 55 Ca -0.04 -1.90 0.01 0.00 -0.99 0.00 0.00 60.65 57.73 1n0e s ILE 55 Cb -0.03 -1.84 -0.03 0.00 2.95 0.00 0.00 42.46 43.51 1n0e s ILE 55 CO 0.00 -0.70 -0.08 -0.69 -1.79 0.00 0.00 174.94 171.68 1n0e s VAL 56 N -3.86 3.58 -0.08 8.37 1.01 -0.55 -0.14 120.40 128.73 1n0e s VAL 56 Ca 0.17 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 1n0e s VAL 56 Cb 0.07 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1n0e s VAL 56 CO -0.02 0.59 -0.21 0.00 0.00 0.00 0.00 175.10 175.46 1n0e n ILE 57 N 2.33 1.34 -1.31 2.22 3.06 0.16 -1.76 119.36 125.41 1n0e n ILE 57 Ca -0.18 0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1n0e n ILE 57 Cb 0.53 -2.01 0.00 0.00 0.54 0.00 0.00 39.64 38.70 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 -4.03 -4.17 -4.77 9.51 0.23 -1.23 -2.77 115.26 108.03 1n0e n ASN 58 Ca -0.11 0.81 -0.39 0.00 -0.53 0.00 0.00 54.58 54.36 1n0e n ASN 58 Cb 0.35 -3.27 -0.05 0.00 -2.08 0.00 0.00 39.78 34.73 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 -4.18 4.58 0.00 -3.83 1.70 -1.16 -1.00 118.95 115.06 1n0e s ARG 59 Ca 0.00 1.56 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 1n0e s ARG 59 Cb 0.00 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 1n0e s ARG 59 CO 0.00 0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.86 1n0e n GLY 60 N 0.94 2.52 3.85 3.88 0.00 -1.26 -4.70 105.19 110.43 1n0e n GLY 60 Ca 0.01 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 0.75 3.49 -1.21 1.61 0.08 -1.26 -3.99 117.98 117.45 1n0e s PHE 61 Ca 0.00 1.06 -0.02 0.00 0.12 0.00 0.00 56.93 58.09 1n0e s PHE 61 Cb 0.00 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1n0e s PHE 61 CO 0.00 0.29 0.27 0.39 -0.10 0.00 0.00 175.22 176.07 1n0e n GLU 62 N 0.18 -2.66 -3.36 0.44 4.71 -1.26 -3.73 120.64 114.95 1n0e n GLU 62 Ca -0.01 0.70 -0.19 0.00 -0.01 0.00 0.00 57.16 57.65 1n0e n GLU 62 Cb 0.52 -5.05 0.06 0.00 -1.01 0.00 0.00 31.44 25.96 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 -1.19 -6.34 0.00 1.62 3.02 -1.26 -4.99 115.26 106.12 1n0e n ASN 63 Ca -0.12 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1n0e n ASN 63 Cb 0.61 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -0.37 -6.39 -4.52 0.00 4.32 -1.26 -1.62 117.00 107.17 1n0e n LEU 65 Ca 0.00 3.25 -0.29 0.00 -0.02 0.00 0.00 56.01 58.96 1n0e n LEU 65 Cb 0.03 -3.13 -0.11 0.00 -1.62 0.00 0.00 43.42 38.59 1n0e n LEU 65 CO 0.00 -0.79 -0.47 -1.61 -1.22 0.00 0.00 177.39 173.31 1n0e s GLU 66 N -1.95 1.87 -0.05 3.23 2.02 -0.18 -1.42 118.70 122.23 1n0e s GLU 66 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.81 1n0e s GLU 66 Cb 0.00 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.11 1n0e s GLU 66 CO 0.00 0.47 -0.09 0.08 0.02 0.00 0.00 175.26 175.74 1n0e s VAL 67 N -1.32 0.85 0.15 2.63 1.01 0.18 -4.10 120.40 119.79 1n0e s VAL 67 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1n0e s VAL 67 Cb -0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1n0e s VAL 67 CO 0.12 0.28 0.11 -0.13 0.00 0.00 0.00 175.10 175.48 1n0e s ARG 68 N 0.60 1.02 0.31 2.72 0.52 -0.72 -0.86 118.95 122.54 1n0e s ARG 68 Ca -0.10 -1.42 -0.22 0.00 -0.52 0.00 0.00 55.73 53.47 1n0e s ARG 68 Cb -0.13 0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.52 1n0e s ARG 68 CO 0.02 -0.31 0.85 0.15 0.02 0.00 0.00 175.30 176.02 1n0e s LYS 69 N -4.05 4.34 0.34 3.54 1.02 -1.26 -1.48 119.74 122.18 1n0e s LYS 69 Ca 0.25 1.06 0.11 0.00 0.02 0.00 0.00 55.97 57.41 1n0e s LYS 69 Cb 0.07 -2.66 0.92 0.00 -0.52 0.00 0.00 37.83 35.63 1n0e s LYS 69 CO 0.03 0.24 1.75 -1.35 -0.92 0.00 0.00 175.35 175.10 1n0e h PRO 70 N 2.89 0.55 0.14 -1.68 0.11 -1.91 -0.09 132.00 132.00 1n0e h PRO 70 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1n0e h PRO 70 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n0e h PRO 70 CO 0.64 0.36 -0.07 1.96 -0.21 0.00 0.00 178.00 180.69 1n0e h GLN 71 N 0.56 -0.18 -0.38 1.05 7.50 -1.96 -0.00 115.11 121.70 1n0e h GLN 71 Ca 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.78 1n0e h GLN 71 Cb 1.24 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.80 1n0e h GLN 71 CO -0.42 -0.12 0.20 -0.44 -1.50 0.00 0.00 178.83 176.55 1n0e h ASP 72 N -0.19 0.46 -0.41 1.46 3.32 -1.52 0.25 116.42 119.79 1n0e h ASP 72 Ca -0.02 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1n0e h ASP 72 Cb 0.15 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1n0e h ASP 72 CO 0.03 0.38 0.02 0.15 -1.72 0.00 0.00 179.24 178.10 1n0e h PHE 73 N 0.53 0.84 -0.15 4.55 3.57 -0.44 0.85 116.94 126.69 1n0e h PHE 73 Ca 0.14 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1n0e h PHE 73 Cb 0.04 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1n0e h PHE 73 CO 0.00 0.77 0.01 0.37 -2.23 0.00 0.00 178.31 177.24 1n0e h GLN 74 N 0.75 0.07 -0.44 1.11 5.75 0.96 -0.67 115.11 122.63 1n0e h GLN 74 Ca 0.15 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.54 1n0e h GLN 74 Cb 0.43 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1n0e h GLN 74 CO 0.02 0.04 -0.16 0.87 -2.65 0.00 0.00 178.83 176.95 1n0e h LYS 75 N 0.07 0.84 -0.54 1.69 1.57 -0.86 -2.71 116.57 116.62 1n0e h LYS 75 Ca 0.07 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1n0e h LYS 75 Cb 0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1n0e h LYS 75 CO -0.11 0.94 0.31 -0.92 -0.57 0.00 0.00 179.45 179.10 1n0e h TYR 76 N 0.74 0.58 -0.25 -1.35 3.20 -0.44 -2.97 116.97 116.48 1n0e h TYR 76 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1n0e h TYR 76 Cb 0.67 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1n0e h TYR 76 CO 0.04 0.32 0.10 0.35 -1.64 0.00 0.00 178.16 177.32 1n0e h PHE 77 N 0.61 0.38 -0.15 -3.82 3.57 -0.96 -2.61 116.94 113.95 1n0e h PHE 77 Ca 0.23 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1n0e h PHE 77 Cb 0.06 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1n0e h PHE 77 CO -0.07 0.40 0.39 0.93 -2.23 0.00 0.00 178.31 177.72 1n0e h GLU 78 N 0.25 0.00 -0.23 1.11 5.08 -1.32 0.59 114.58 120.06 1n0e h GLU 78 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1n0e h GLU 78 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1n0e h GLU 78 CO -0.01 0.00 -0.32 1.96 -1.00 0.00 0.00 179.01 179.65 1n0e h GLN 79 N 0.00 0.47 0.00 2.33 4.20 -1.43 -2.72 115.11 117.97 1n0e h GLN 79 Ca 0.07 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1n0e h GLN 79 Cb 0.85 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1n0e h GLN 79 CO -0.00 0.74 0.00 0.74 -0.67 0.00 0.00 178.83 179.63 1n0e h PHE 80 N 0.40 0.00 -0.00 2.96 0.04 0.11 -3.08 116.94 117.38 1n0e h PHE 80 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1n0e h PHE 80 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1n0e h PHE 80 CO 0.02 0.00 -0.00 0.09 -0.60 0.00 0.00 178.31 177.82 1n0e n ASN 81 N -2.58 0.06 -0.25 2.17 4.13 -1.02 -1.97 115.26 115.80 1n0e n ASN 81 Ca 0.03 -1.01 0.13 0.00 1.68 0.00 0.00 54.58 55.40 1n0e n ASN 81 Cb 0.32 -0.00 0.35 0.00 -1.54 0.00 0.00 39.78 38.91 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 -0.95 1.05 -4.72 6.41 3.41 -1.16 -4.83 113.62 112.83 1n0e n SER 82 Ca 0.24 -0.90 -0.37 0.00 -0.26 0.00 0.00 58.87 57.58 1n0e n SER 82 Cb 0.12 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.52 3.49 0.00 7.33 0.08 -0.83 -5.03 117.98 120.49 1n0e s PHE 83 Ca 0.23 0.78 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1n0e s PHE 83 Cb 0.19 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.15 1n0e s PHE 83 CO 0.53 0.18 0.00 -2.30 -0.10 0.00 0.00 175.22 173.53 1n0e n PRO 84 N 3.70 0.00 0.00 0.24 -0.02 -1.26 -4.83 135.00 132.83 1n0e n PRO 84 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1n0e n PRO 84 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -0.37 0.00 0.03 2.55 2.88 -1.26 -4.70 113.62 112.76 1n0e n SER 85 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1n0e n SER 85 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.00 0.18 -2.94 2.46 -2.24 -1.26 -4.71 114.28 103.77 1n0e n THR 86 Ca 0.00 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1n0e n THR 86 Cb 0.00 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.13 4.43 0.24 -0.78 -1.52 -1.26 -4.96 119.66 112.67 1n0e s GLN 87 Ca 0.07 1.02 -0.05 0.00 -1.95 0.00 0.00 55.36 54.44 1n0e s GLN 87 Cb 0.15 -3.48 0.34 0.00 -0.22 0.00 0.00 33.01 29.80 1n0e s GLN 87 CO 0.75 -0.05 1.84 -0.22 -0.25 0.00 0.00 175.29 177.36 1n0e h LYS 88 N 6.91 0.89 -0.92 2.91 3.64 -2.01 -2.00 116.57 125.99 1n0e h LYS 88 Ca -0.38 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1n0e h LYS 88 Cb 1.19 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1n0e h LYS 88 CO 0.77 0.59 0.61 -0.44 -2.27 0.00 0.00 179.45 178.71 1n0e h ASP 89 N 0.92 1.06 -0.42 4.20 3.32 -1.97 -1.56 116.42 121.97 1n0e h ASP 89 Ca 0.37 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.42 1n0e h ASP 89 Cb 0.21 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1n0e h ASP 89 CO -0.19 0.77 0.24 0.74 -1.72 0.00 0.00 179.24 179.08 1n0e h THR 90 N 1.25 1.03 -0.79 0.35 2.02 -1.74 -0.06 112.91 114.97 1n0e h THR 90 Ca 0.34 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1n0e h THR 90 Cb -0.14 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 1n0e h THR 90 CO -0.07 0.09 0.36 0.03 0.37 0.00 0.00 175.52 176.30 1n0e h ARG 91 N 0.48 1.14 -0.37 6.66 3.08 -1.19 -0.49 114.38 123.69 1n0e h ARG 91 Ca 0.17 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1n0e h ARG 91 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1n0e h ARG 91 CO -0.09 0.89 0.04 1.15 -1.07 0.00 0.00 179.97 180.89 1n0e h THR 92 N 1.13 1.25 0.10 2.04 2.02 -0.69 -0.05 112.91 118.71 1n0e h THR 92 Ca 0.27 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1n0e h THR 92 Cb 0.14 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1n0e h THR 92 CO -0.03 0.30 -0.12 0.25 0.37 0.00 0.00 175.52 176.30 1n0e h LEU 93 N 0.46 -0.31 -1.54 2.58 5.85 -0.61 0.29 115.31 122.03 1n0e h LEU 93 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1n0e h LEU 93 Cb 0.40 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1n0e h LEU 93 CO 0.01 -0.18 0.22 0.11 -0.34 0.00 0.00 178.44 178.27 1n0e h LYS 94 N -0.25 0.53 0.03 1.25 1.57 -1.00 -1.44 116.57 117.26 1n0e h LYS 94 Ca 0.01 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1n0e h LYS 94 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1n0e h LYS 94 CO -0.04 0.39 -0.98 0.00 -0.57 0.00 0.00 179.45 178.24 1n0e h ARG 95 N 0.54 0.12 0.00 3.15 3.08 -0.35 -1.94 114.38 118.98 1n0e h ARG 95 Ca 0.14 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1n0e h ARG 95 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1n0e h ARG 95 CO -0.02 1.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 179.22 1n0e h LEU 96 N 0.05 0.00 0.00 3.04 3.38 0.01 -3.13 115.31 118.67 1n0e h LEU 96 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n0e h LEU 96 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1n0e h LEU 96 CO 0.14 0.59 -0.08 0.40 0.09 0.00 0.00 178.44 179.58 1n0e h ILE 97 N 0.00 0.00 0.00 1.22 2.04 -1.27 -3.38 117.51 116.12 1n0e h ILE 97 Ca -0.01 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1n0e h ILE 97 Cb 1.23 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1n0e h ILE 97 CO 0.08 0.00 -0.15 -0.26 0.00 0.00 0.00 178.15 177.82 1n0e h PHE 98 N -0.29 0.00 0.00 1.37 0.04 -1.53 -1.48 116.94 115.06 1n0e h PHE 98 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1n0e h PHE 98 Cb 0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1n0e h PHE 98 CO -0.03 0.15 -0.05 0.00 -0.60 0.00 0.00 178.31 177.78 1n0e h ALA 99 N 1.85 1.00 -0.47 2.45 0.00 -1.71 -2.76 119.26 119.63 1n0e h ALA 99 Ca -0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1n0e h ALA 99 Cb 0.34 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.96 1n0e h ALA 99 CO 0.02 0.06 -0.04 0.09 0.00 0.00 0.00 179.25 179.38 1n0e n ASN 100 N -3.15 3.00 -4.49 0.00 3.02 -0.57 -4.97 115.26 108.09 1n0e n ASN 100 Ca 0.01 -3.78 -0.32 0.00 -0.03 0.00 0.00 54.58 50.46 1n0e n ASN 100 Cb 0.36 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 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 -3.32 2.70 0.03 5.41 0.00 -1.04 -2.98 121.76 122.56 1n0e s ALA 101 Ca 0.47 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1n0e s ALA 101 Cb 0.42 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1n0e s ALA 101 CO 0.01 0.57 0.12 -0.80 0.00 0.00 0.00 175.76 175.66 1n0e s ASN 102 N -1.11 0.12 0.08 0.00 -0.87 -1.26 -4.81 114.94 107.10 1n0e s ASN 102 Ca 0.14 -0.42 -0.21 0.00 -1.57 0.00 0.00 52.86 50.79 1n0e s ASN 102 Cb -0.11 0.23 -0.07 0.00 -0.02 0.00 0.00 41.25 41.28 1n0e s ASN 102 CO 0.03 -0.47 0.63 -0.36 -2.57 0.00 0.00 177.10 174.36 1n0e s PHE 103 N -2.25 3.81 -0.02 2.20 0.08 -1.26 -0.66 117.98 119.88 1n0e s PHE 103 Ca -0.08 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.33 1n0e s PHE 103 Cb -0.03 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1n0e s PHE 103 CO -0.03 0.52 0.02 0.08 -0.10 0.00 0.00 175.22 175.71 1n0e s VAL 104 N -0.93 0.00 0.07 -0.44 1.01 0.80 -4.95 120.40 115.96 1n0e s VAL 104 Ca 0.31 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 1n0e s VAL 104 Cb -0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 1n0e s VAL 104 CO 0.21 0.09 0.80 -1.81 0.00 0.00 0.00 175.10 174.38 1n0e s ASP 105 N 0.89 7.28 -0.40 3.32 1.01 -1.26 -0.75 116.67 126.75 1n0e s ASP 105 Ca -0.08 1.53 -0.24 0.00 0.71 0.00 0.00 52.55 54.47 1n0e s ASP 105 Cb -0.11 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1n0e s ASP 105 CO -0.02 0.03 0.83 -0.69 0.21 0.00 0.00 175.17 175.53 1n0e s VAL 106 N -0.20 4.64 1.33 -1.27 1.01 0.29 -4.61 120.40 121.59 1n0e s VAL 106 Ca 0.39 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.97 1n0e s VAL 106 Cb -0.21 -4.29 0.33 0.00 0.00 0.00 0.00 36.38 32.21 1n0e s VAL 106 CO 0.24 -0.59 0.99 1.51 0.00 0.00 0.00 175.10 177.26 1n0e s ASP 107 N 1.99 -0.29 0.40 3.32 3.84 -0.60 -4.78 116.67 120.56 1n0e s ASP 107 Ca 0.33 0.88 0.13 0.00 -0.00 0.00 0.00 52.55 53.89 1n0e s ASP 107 Cb -0.12 -1.26 0.97 0.00 -1.38 0.00 0.00 42.92 41.12 1n0e s ASP 107 CO 0.20 -4.89 1.91 0.71 -0.00 0.00 0.00 175.17 173.10 1n0e h THR 108 N -3.10 0.83 -0.21 2.11 1.35 -1.95 -1.49 112.91 110.44 1n0e h THR 108 Ca -0.46 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1n0e h THR 108 Cb 1.33 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1n0e h THR 108 CO 0.33 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1n0e n ALA 109 N -2.49 2.49 -1.08 6.62 0.00 -1.26 -4.88 120.51 119.91 1n0e n ALA 109 Ca 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 1n0e n ALA 109 Cb 0.48 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 0.80 0.59 3.87 0.00 0.00 -0.56 -4.76 105.19 105.13 1n0e n GLY 110 Ca 0.07 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.57 3.84 -0.08 1.61 0.52 -1.26 0.27 118.95 122.29 1n0e s ARG 111 Ca 0.00 0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.58 1n0e s ARG 111 Cb 0.00 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1n0e s ARG 111 CO 0.00 0.28 -0.12 0.08 0.02 0.00 0.00 175.30 175.56 1n0e s VAL 112 N -1.86 1.20 -0.33 3.52 1.01 0.95 -1.55 120.40 123.35 1n0e s VAL 112 Ca 0.49 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1n0e s VAL 112 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1n0e s VAL 112 CO 0.21 0.37 0.53 -0.22 0.00 0.00 0.00 175.10 175.99 1n0e s LEU 113 N 0.86 4.25 -0.13 3.92 0.20 -1.26 -0.79 118.68 125.72 1n0e s LEU 113 Ca -0.11 0.15 -0.25 0.00 0.69 0.00 0.00 54.13 54.62 1n0e s LEU 113 Cb -0.15 -2.64 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1n0e s LEU 113 CO 0.01 -0.44 0.80 -0.63 -0.29 0.00 0.00 176.35 175.80 1n0e s ILE 114 N 2.42 4.93 0.45 6.68 1.01 0.20 -4.98 121.20 131.91 1n0e s ILE 114 Ca 0.20 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.21 1n0e s ILE 114 Cb -0.15 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 1n0e s ILE 114 CO 0.12 0.10 1.05 -2.65 0.00 0.00 0.00 174.94 173.57 1n0e n PRO 115 N 4.71 1.40 -0.20 2.79 -0.02 -1.26 -4.70 135.00 137.71 1n0e n PRO 115 Ca 0.03 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1n0e n PRO 115 Cb 0.50 -2.12 -0.10 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 1.49 -1.91 -0.97 2.55 2.35 -1.97 0.10 115.58 117.22 1n0e h ASN 116 Ca -0.46 0.26 0.19 0.00 -0.55 0.00 0.00 56.30 55.74 1n0e h ASN 116 Cb 1.33 0.80 -0.11 0.00 0.05 0.00 0.00 38.32 40.40 1n0e h ASN 116 CO 0.57 -0.35 0.57 -0.55 -1.65 0.00 0.00 177.43 176.01 1n0e h ASN 117 N -0.30 0.71 0.64 5.81 -0.00 -2.00 0.11 115.58 120.55 1n0e h ASN 117 Ca 0.09 0.10 -0.18 0.00 -0.00 0.00 0.00 56.30 56.32 1n0e h ASN 117 Cb 0.54 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.82 1n0e h ASN 117 CO -0.67 0.24 -0.80 -0.07 -0.00 0.00 0.00 177.43 176.13 1n0e h LEU 118 N 0.71 0.15 -0.09 6.14 4.07 -1.53 -1.43 115.31 123.33 1n0e h LEU 118 Ca 0.56 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.41 1n0e h LEU 118 Cb 0.88 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 1n0e h LEU 118 CO -0.39 0.88 0.06 0.40 -1.08 0.00 0.00 178.44 178.31 1n0e h ILE 119 N 0.07 1.04 -0.20 1.22 1.08 0.11 -2.10 117.51 118.72 1n0e h ILE 119 Ca -0.02 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1n0e h ILE 119 Cb 1.40 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1n0e h ILE 119 CO 0.11 0.03 0.08 0.78 -0.69 0.00 0.00 178.15 178.46 1n0e h ASN 120 N 0.10 0.28 -0.64 1.72 2.35 -1.21 0.42 115.58 118.61 1n0e h ASN 120 Ca 0.03 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1n0e h ASN 120 Cb 0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1n0e h ASN 120 CO -0.01 0.37 0.42 0.44 -1.65 0.00 0.00 177.43 177.01 1n0e h ASP 121 N 0.16 0.45 -0.39 5.81 3.32 -1.12 -0.59 116.42 124.05 1n0e h ASP 121 Ca 0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1n0e h ASP 121 Cb 0.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n0e h ASP 121 CO -0.00 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1n0e n ALA 122 N -2.50 2.42 -3.94 3.45 0.00 -0.80 -4.75 120.51 114.39 1n0e n ALA 122 Ca 0.10 -0.99 -0.31 0.00 0.00 0.00 0.00 53.44 52.25 1n0e n ALA 122 Cb 0.34 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 1.46 -5.40 -2.37 0.00 4.76 -0.23 -4.33 118.16 112.05 1n0e n LYS 123 Ca 0.20 0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 55.80 1n0e n LYS 123 Cb 0.60 -5.47 -0.03 0.00 -1.84 0.00 0.00 35.03 28.29 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 -7.29 4.40 0.00 -0.35 1.02 0.04 -4.80 118.68 111.70 1n0e s LEU 124 Ca 0.67 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.95 1n0e s LEU 124 Cb -0.34 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.28 1n0e s LEU 124 CO 0.84 -0.46 0.00 -0.67 0.02 0.00 0.00 176.35 176.08 1n0e n ASP 125 N 3.42 0.00 -3.77 2.29 2.03 -1.26 -4.80 116.55 114.46 1n0e n ASP 125 Ca 0.08 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.26 1n0e n ASP 125 Cb 0.45 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.00 0.36 0.00 -0.67 2.20 -1.26 -4.58 119.74 115.79 1n0e s LYS 126 Ca 0.00 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1n0e s LYS 126 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1n0e s LYS 126 CO 0.00 -0.05 0.00 0.39 -0.36 0.00 0.00 175.35 175.33 1n0e n GLU 127 N 2.86 0.00 -4.29 4.03 1.02 -1.25 -4.80 120.64 118.21 1n0e n GLU 127 Ca -0.13 0.41 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 1n0e n GLU 127 Cb 0.58 -0.82 -0.09 0.00 -0.02 0.00 0.00 31.44 31.09 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 3.26 -0.11 -3.67 -1.09 0.19 -1.88 121.20 117.90 1n0e s ILE 128 Ca 0.00 -1.69 0.01 0.00 -2.23 0.00 0.00 60.65 56.74 1n0e s ILE 128 Cb 0.00 -2.64 0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1n0e s ILE 128 CO 0.00 -0.16 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.73 1n0e s VAL 129 N -1.82 1.39 -0.22 2.92 1.01 0.00 -1.40 120.40 122.29 1n0e s VAL 129 Ca 0.26 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1n0e s VAL 129 Cb -0.08 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1n0e s VAL 129 CO 0.16 0.42 0.05 -0.76 0.00 0.00 0.00 175.10 174.97 1n0e s LEU 130 N 1.17 3.50 -0.08 3.92 1.43 0.61 -0.07 118.68 129.15 1n0e s LEU 130 Ca -0.03 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1n0e s LEU 130 Cb -0.14 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1n0e s LEU 130 CO -0.04 0.06 -0.23 0.27 0.23 0.00 0.00 176.35 176.64 1n0e s ILE 131 N 1.07 1.91 -0.16 -0.59 -4.36 -0.85 -0.21 121.20 118.01 1n0e s ILE 131 Ca 0.04 -0.95 -0.27 0.00 -0.26 0.00 0.00 60.65 59.21 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 0.03 0.53 0.90 -0.83 0.24 0.00 0.00 174.94 175.80 1n0e s GLY 132 N 0.20 2.14 -0.43 6.27 0.00 0.04 -1.33 107.32 114.21 1n0e s GLY 132 Ca -0.13 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.78 1n0e s GLY 132 CO 0.06 1.78 1.60 -1.06 0.00 0.00 0.00 173.10 175.49 1n0e n GLN 133 N 5.26 2.73 0.00 2.90 1.13 0.29 -4.43 117.38 125.26 1n0e n GLN 133 Ca 0.06 -3.53 0.00 0.00 -1.94 0.00 0.00 57.00 51.59 1n0e n GLN 133 Cb 0.48 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.68 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 -0.93 0.00 -0.13 1.08 7.35 0.11 -3.37 117.46 121.58 1n0e n PHE 134 Ca 0.49 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 57.10 1n0e n PHE 134 Cb 0.94 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.77 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 0.47 -3.16 -2.13 3.32 -1.94 -3.06 116.42 109.93 1n0e h ASP 135 Ca 0.00 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 1n0e h ASP 135 Cb 0.00 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1n0e h ASP 135 CO 0.00 0.36 -0.18 0.00 -1.72 0.00 0.00 179.24 177.70 1n0e n HIS 136 N -4.79 -0.26 -4.53 4.55 1.44 -1.22 -4.77 115.22 105.65 1n0e n HIS 136 Ca 0.00 -1.08 -0.21 0.00 -2.01 0.00 0.00 57.72 54.42 1n0e n HIS 136 Cb 0.04 0.10 -0.15 0.00 0.12 0.00 0.00 29.99 30.10 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 2.05 -0.00 2.39 0.20 -0.04 -0.55 118.68 122.73 1n0e s LEU 137 Ca 0.15 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.72 1n0e s LEU 137 Cb 0.01 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.10 1n0e s LEU 137 CO 0.10 0.13 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.65 1n0e s GLU 138 N -0.44 2.65 -0.20 1.98 2.02 -0.44 0.51 118.70 124.78 1n0e s GLU 138 Ca 0.04 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 1n0e s GLU 138 Cb -0.05 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 1n0e s GLU 138 CO -0.00 0.61 -0.01 0.42 0.02 0.00 0.00 175.26 176.30 1n0e s ILE 139 N -1.03 3.77 0.19 -1.63 1.01 -0.51 -2.01 121.20 121.00 1n0e s ILE 139 Ca 0.18 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.54 1n0e s ILE 139 Cb -0.11 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1n0e s ILE 139 CO 0.08 0.43 -0.16 0.26 0.00 0.00 0.00 174.94 175.55 1n0e s TRP 140 N 1.12 1.75 -0.00 3.97 0.52 0.90 -4.11 118.94 123.09 1n0e s TRP 140 Ca 0.02 -0.53 -0.29 0.00 0.02 0.00 0.00 56.10 55.32 1n0e s TRP 140 Cb -0.14 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 1n0e s TRP 140 CO 0.01 0.36 0.93 0.34 0.02 0.00 0.00 176.95 178.61 1n0e s ASP 141 N -3.11 7.31 0.22 2.95 2.15 -1.26 -0.82 116.67 124.11 1n0e s ASP 141 Ca 0.20 1.58 -0.12 0.00 0.43 0.00 0.00 52.55 54.64 1n0e s ASP 141 Cb -0.02 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.33 1n0e s ASP 141 CO 0.07 -0.22 1.63 0.50 -0.17 0.00 0.00 175.17 176.98 1n0e h LYS 142 N 6.71 0.02 0.73 4.34 3.64 -1.67 -1.16 116.57 129.18 1n0e h LYS 142 Ca -0.41 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1n0e h LYS 142 Cb 1.22 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1n0e h LYS 142 CO 0.75 0.02 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.27 1n0e h LYS 143 N 0.02 -1.08 -0.93 1.90 1.63 -1.92 -1.88 116.57 114.32 1n0e h LYS 143 Ca 0.32 0.07 0.20 0.00 -0.85 0.00 0.00 60.65 60.39 1n0e h LYS 143 Cb 0.51 0.25 -0.11 0.00 -0.60 0.00 0.00 32.23 32.27 1n0e h LYS 143 CO -0.65 -0.72 0.49 -0.07 -3.45 0.00 0.00 179.45 175.06 1n0e h LEU 144 N -1.12 0.56 0.12 5.20 4.07 -1.86 -0.15 115.31 122.13 1n0e h LEU 144 Ca -0.10 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1n0e h LEU 144 Cb 0.90 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1n0e h LEU 144 CO 0.09 0.15 -0.06 0.22 -1.08 0.00 0.00 178.44 177.76 1n0e h TYR 145 N 0.58 -0.15 -0.88 1.13 3.20 -1.00 0.39 116.97 120.24 1n0e h TYR 145 Ca 0.55 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.43 1n0e h TYR 145 Cb 0.94 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1n0e h TYR 145 CO -0.07 0.09 0.58 0.93 -1.64 0.00 0.00 178.16 178.06 1n0e h GLU 146 N -0.38 1.15 -0.46 1.82 5.08 -0.60 0.15 114.58 121.34 1n0e h GLU 146 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1n0e h GLU 146 Cb 0.31 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1n0e h GLU 146 CO 0.03 0.76 0.24 -0.44 -1.00 0.00 0.00 179.01 178.60 1n0e h ASP 147 N 1.19 0.58 -0.48 1.42 3.32 -0.85 0.78 116.42 122.37 1n0e h ASP 147 Ca 0.33 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1n0e h ASP 147 Cb -0.12 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 1n0e h ASP 147 CO -0.07 0.52 0.22 0.22 -1.72 0.00 0.00 179.24 178.41 1n0e h TYR 148 N 0.60 0.40 -0.41 4.55 3.20 0.46 0.11 116.97 125.88 1n0e h TYR 148 Ca 0.16 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1n0e h TYR 148 Cb 0.08 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1n0e h TYR 148 CO -0.02 0.18 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.54 1n0e h LEU 149 N 0.44 0.79 -0.14 2.82 4.07 -0.19 -3.16 115.31 119.93 1n0e h LEU 149 Ca 0.22 -0.35 0.05 0.00 0.08 0.00 0.00 57.88 57.87 1n0e h LEU 149 Cb 0.16 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1n0e h LEU 149 CO -0.18 0.96 -0.20 0.00 -1.08 0.00 0.00 178.44 177.94 1n0e h ALA 150 N 0.86 -0.13 -3.00 1.53 0.00 0.14 -3.39 119.26 115.27 1n0e h ALA 150 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n0e h ALA 150 Cb 0.60 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n0e h ALA 150 CO 0.04 -0.65 0.00 0.09 0.00 0.00 0.00 179.25 178.73 1n0e n ASN 151 N -5.34 0.00 -0.98 0.00 3.02 0.30 -4.96 115.26 107.30 1n0e n ASN 151 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1n0e n ASN 151 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 -5.01 -4.74 6.41 2.88 -1.23 -4.90 113.62 107.02 1n0e n SER 152 Ca 0.00 0.57 -0.29 0.00 -1.33 0.00 0.00 58.87 57.82 1n0e n SER 152 Cb 0.00 -2.16 0.15 0.00 -0.75 0.00 0.00 64.21 61.45 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 -2.58 0.98 1.00 -1.46 2.02 -1.26 -5.01 118.70 112.39 1n0e s GLU 153 Ca 0.00 0.47 -0.11 0.00 0.02 0.00 0.00 54.97 55.35 1n0e s GLU 153 Cb 0.00 -1.80 0.19 0.00 0.10 0.00 0.00 34.13 32.62 1n0e s GLU 153 CO 0.00 -2.35 1.09 -1.54 0.02 0.00 0.00 175.26 172.48 1n0e s SER 154 N -3.73 2.35 0.13 -0.19 1.04 -1.26 -4.78 113.70 107.26 1n0e s SER 154 Ca 0.64 1.74 -0.17 0.00 0.48 0.00 0.00 55.95 58.63 1n0e s SER 154 Cb -0.17 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1n0e s SER 154 CO 0.55 -3.38 1.73 0.25 0.98 0.00 0.00 173.24 173.37 1n0e h LEU 155 N -2.06 0.42 -0.60 2.42 5.85 -1.99 -1.72 115.31 117.62 1n0e h LEU 155 Ca -0.52 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.04 1n0e h LEU 155 Cb 1.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1n0e h LEU 155 CO 0.49 0.39 0.10 -0.33 -0.34 0.00 0.00 178.44 178.75 1n0e h GLU 156 N 0.41 1.00 0.46 1.25 3.07 -1.98 -1.03 114.58 117.75 1n0e h GLU 156 Ca 0.12 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1n0e h GLU 156 Cb 0.07 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1n0e h GLU 156 CO -0.02 0.93 -0.22 1.15 -1.40 0.00 0.00 179.01 179.45 1n0e h THR 157 N 0.90 0.54 -0.45 1.13 2.02 -1.89 -0.82 112.91 114.34 1n0e h THR 157 Ca 0.18 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1n0e h THR 157 Cb 0.42 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1n0e h THR 157 CO 0.01 0.02 0.27 0.58 0.37 0.00 0.00 175.52 176.77 1n0e h VAL 158 N -0.69 1.14 -0.74 3.16 2.07 -1.29 -2.92 116.25 116.98 1n0e h VAL 158 Ca -0.06 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1n0e h VAL 158 Cb 0.51 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1n0e h VAL 158 CO 0.10 0.14 0.48 0.00 0.02 0.00 0.00 177.57 178.32 1n0e h ALA 159 N 1.13 0.95 -0.09 1.67 0.00 -1.11 -2.15 119.26 119.66 1n0e h ALA 159 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1n0e h ALA 159 Cb -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1n0e h ALA 159 CO -0.03 0.32 0.10 1.49 0.00 0.00 0.00 179.25 181.13 1n0e h GLU 160 N 0.97 0.00 -0.00 0.00 4.57 -0.95 -0.91 114.58 118.26 1n0e h GLU 160 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1n0e h GLU 160 Cb -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1n0e h GLU 160 CO -0.08 0.00 -0.20 0.54 -1.18 0.00 0.00 179.01 178.09 1n0e n ARG 161 N -3.86 0.21 0.00 1.92 1.74 -0.81 -5.12 116.66 110.75 1n0e n ARG 161 Ca -0.01 -0.07 0.06 0.00 -0.77 0.00 0.00 57.85 57.06 1n0e n ARG 161 Cb 0.20 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.48 1n0e n ARG 161 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78