#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2a s LYS 2 N 0.00 2.59 0.00 0.00 -2.85 -1.26 -3.89 119.74 114.33 1j2a s LYS 2 Ca 0.00 0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 1j2a s LYS 2 Cb 0.00 -4.50 0.00 0.00 -2.06 0.00 0.00 37.83 31.27 1j2a s LYS 2 CO 0.00 -2.87 0.00 0.41 0.10 0.00 0.00 175.35 172.99 1j2a n GLY 3 N 5.90 0.61 1.52 0.59 0.00 -1.21 -4.91 105.19 107.68 1j2a n GLY 3 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1j2a n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j2a n ASP 4 N 0.00 0.40 -4.74 1.61 2.03 -0.33 -4.93 116.55 110.58 1j2a n ASP 4 Ca 0.00 0.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.17 1j2a n ASP 4 Cb 0.00 0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1j2a n ASP 4 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1j2a s PRO 5 N -1.84 4.16 -0.11 -0.67 0.02 -1.25 -4.79 135.00 130.52 1j2a s PRO 5 Ca 0.00 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.55 1j2a s PRO 5 Cb 0.00 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 1j2a s PRO 5 CO 0.00 -0.61 -0.17 -1.01 -0.33 0.00 0.00 177.00 174.89 1j2a s HIS 6 N 0.26 2.71 -0.06 6.54 3.76 -1.26 -0.48 115.29 126.75 1j2a s HIS 6 Ca 0.65 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 1j2a s HIS 6 Cb -0.47 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.45 1j2a s HIS 6 CO 0.43 -0.22 -0.20 0.08 -0.85 0.00 0.00 174.74 173.99 1j2a s VAL 7 N 0.20 1.66 -0.24 -0.90 1.01 -0.42 -0.25 120.40 121.46 1j2a s VAL 7 Ca -0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1j2a s VAL 7 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1j2a s VAL 7 CO 0.06 0.47 0.09 -0.22 0.00 0.00 0.00 175.10 175.50 1j2a s LEU 8 N 0.18 3.68 -0.33 3.92 2.96 0.51 -0.46 118.68 129.15 1j2a s LEU 8 Ca -0.09 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1j2a s LEU 8 Cb -0.14 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1j2a s LEU 8 CO 0.04 0.03 0.16 -0.76 -1.32 0.00 0.00 176.35 174.50 1j2a s LEU 9 N 1.27 4.27 -0.41 -0.68 1.43 0.12 -1.78 118.68 122.90 1j2a s LEU 9 Ca 0.05 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1j2a s LEU 9 Cb -0.14 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1j2a s LEU 9 CO 0.04 -0.25 0.41 -0.89 0.23 0.00 0.00 176.35 175.89 1j2a s THR 10 N 1.58 5.12 0.39 5.49 2.01 -0.41 -0.90 115.64 128.91 1j2a s THR 10 Ca 0.03 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.81 1j2a s THR 10 Cb -0.18 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1j2a s THR 10 CO 0.06 -0.35 0.21 0.42 -0.69 0.00 0.00 174.62 174.27 1j2a s THR 11 N 2.08 2.67 -1.10 -0.82 -4.23 -0.45 -0.51 115.64 113.28 1j2a s THR 11 Ca 0.11 -1.61 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1j2a s THR 11 Cb -0.17 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.82 1j2a s THR 11 CO 0.13 -0.07 1.44 -1.54 -0.54 0.00 0.00 174.62 174.04 1j2a n SER 12 N -1.27 0.00 -0.43 3.99 3.41 -0.28 -2.22 113.62 116.81 1j2a n SER 12 Ca -0.01 0.40 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 1j2a n SER 12 Cb 0.63 -0.45 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1j2a n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2a n ALA 13 N -1.45 2.51 0.00 7.33 0.00 -1.26 -5.01 120.51 122.63 1j2a n ALA 13 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1j2a n ALA 13 Cb 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1j2a n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2a n GLY 14 N 0.64 1.77 3.82 0.00 0.00 -0.94 -4.92 105.19 105.56 1j2a n GLY 14 Ca 0.06 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1j2a n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j2a s ASN 15 N 0.00 5.97 -0.09 1.61 0.01 -1.26 -1.33 114.94 119.85 1j2a s ASN 15 Ca 0.00 0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.47 1j2a s ASN 15 Cb 0.00 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.85 1j2a s ASN 15 CO 0.00 0.35 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.19 1j2a s ILE 16 N -1.08 1.22 -0.13 0.60 1.01 -0.08 -4.25 121.20 118.50 1j2a s ILE 16 Ca 0.18 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1j2a s ILE 16 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1j2a s ILE 16 CO 0.08 0.38 -0.03 -0.70 0.00 0.00 0.00 174.94 174.67 1j2a s GLU 17 N 0.95 3.41 0.08 2.79 2.12 0.11 0.11 118.70 128.29 1j2a s GLU 17 Ca -0.09 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 54.82 1j2a s GLU 17 Cb -0.15 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1j2a s GLU 17 CO -0.00 0.39 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.42 1j2a s LEU 18 N -0.04 2.65 -0.21 2.70 1.43 0.40 -1.05 118.68 124.55 1j2a s LEU 18 Ca 0.01 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1j2a s LEU 18 Cb -0.13 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1j2a s LEU 18 CO 0.03 0.22 -0.15 -0.70 0.23 0.00 0.00 176.35 175.97 1j2a s GLU 19 N -1.80 2.78 0.02 1.70 2.12 -0.15 -1.31 118.70 122.05 1j2a s GLU 19 Ca 0.16 -0.99 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 1j2a s GLU 19 Cb -0.11 -2.74 -0.06 0.00 0.26 0.00 0.00 34.13 31.48 1j2a s GLU 19 CO 0.08 -0.34 0.49 -0.51 -0.54 0.00 0.00 175.26 174.44 1j2a s LEU 20 N 1.25 4.47 -1.06 2.70 1.43 0.37 -1.61 118.68 126.24 1j2a s LEU 20 Ca 0.00 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 1j2a s LEU 20 Cb -0.16 -2.74 0.18 0.00 0.03 0.00 0.00 46.19 43.50 1j2a s LEU 20 CO -0.09 0.26 1.22 -0.62 0.23 0.00 0.00 176.35 177.35 1j2a s ASP 21 N -0.85 6.92 0.46 2.29 3.68 0.04 -1.19 116.67 128.03 1j2a s ASP 21 Ca 0.27 -2.72 0.12 0.00 2.13 0.00 0.00 52.55 52.34 1j2a s ASP 21 Cb -0.18 -2.36 1.05 0.00 -1.45 0.00 0.00 42.92 39.99 1j2a s ASP 21 CO 0.16 -0.78 2.09 0.50 0.13 0.00 0.00 175.17 177.27 1j2a h LYS 22 N 7.72 0.25 -0.01 4.34 3.64 -1.84 -0.72 116.57 129.95 1j2a h LYS 22 Ca 0.22 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.36 1j2a h LYS 22 Cb 0.94 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1j2a h LYS 22 CO 1.12 0.19 -0.93 1.96 -2.27 0.00 0.00 179.45 179.51 1j2a h GLN 23 N 0.26 0.44 0.00 1.90 7.50 -1.98 -2.91 115.11 120.32 1j2a h GLN 23 Ca 0.07 -0.46 -0.22 0.00 0.50 0.00 0.00 58.65 58.53 1j2a h GLN 23 Cb 0.01 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.63 1j2a h GLN 23 CO -0.01 1.12 -1.46 0.87 -1.50 0.00 0.00 178.83 177.85 1j2a h LYS 24 N 0.26 0.00 -2.03 1.46 1.79 -1.91 -3.41 116.57 112.72 1j2a h LYS 24 Ca -0.08 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.86 1j2a h LYS 24 Cb 1.56 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.82 1j2a h LYS 24 CO 0.16 0.44 -1.08 0.00 -1.08 0.00 0.00 179.45 177.89 1j2a n ALA 25 N -2.45 2.51 -0.25 3.86 0.00 -0.29 -4.80 120.51 119.09 1j2a n ALA 25 Ca -0.11 -3.58 0.01 0.00 0.00 0.00 0.00 53.44 49.76 1j2a n ALA 25 Cb 0.93 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.65 1j2a n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j2a h PRO 26 N 3.57 0.64 -0.20 0.00 0.13 -1.71 -0.47 132.00 133.95 1j2a h PRO 26 Ca 0.09 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1j2a h PRO 26 Cb 0.88 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1j2a h PRO 26 CO 0.52 0.42 -0.14 0.28 -0.23 0.00 0.00 178.00 178.86 1j2a h VAL 27 N 0.66 1.32 -0.60 1.56 2.07 -1.93 -2.19 116.25 117.13 1j2a h VAL 27 Ca 0.34 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1j2a h VAL 27 Cb 0.31 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1j2a h VAL 27 CO -0.24 0.38 0.26 0.28 0.02 0.00 0.00 177.57 178.27 1j2a h SER 28 N 0.13 0.82 -0.34 0.57 0.02 -1.83 -1.42 113.55 111.49 1j2a h SER 28 Ca 0.04 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1j2a h SER 28 Cb 0.65 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1j2a h SER 28 CO 0.04 0.75 0.06 0.58 -1.14 0.00 0.00 176.83 177.12 1j2a h VAL 29 N 0.83 1.23 -0.62 2.27 2.07 -1.10 -1.00 116.25 119.93 1j2a h VAL 29 Ca 0.20 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1j2a h VAL 29 Cb 0.17 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1j2a h VAL 29 CO -0.02 0.27 0.23 -0.61 0.02 0.00 0.00 177.57 177.46 1j2a h GLN 30 N 0.40 0.94 -0.24 1.57 5.75 -1.28 0.16 115.11 122.41 1j2a h GLN 30 Ca 0.10 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1j2a h GLN 30 Cb 0.34 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1j2a h GLN 30 CO 0.01 0.81 0.15 -0.97 -2.65 0.00 0.00 178.83 176.17 1j2a h ASN 31 N 0.88 0.29 -0.24 -0.69 -1.24 -1.14 -0.92 115.58 112.53 1j2a h ASN 31 Ca 0.21 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1j2a h ASN 31 Cb 0.23 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1j2a h ASN 31 CO -0.01 0.26 0.10 0.15 -1.29 0.00 0.00 177.43 176.64 1j2a h PHE 32 N 0.30 0.36 -0.71 0.67 3.04 -0.94 -2.52 116.94 117.14 1j2a h PHE 32 Ca 0.09 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1j2a h PHE 32 Cb 0.02 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 1j2a h PHE 32 CO -0.05 0.37 0.38 0.28 -2.02 0.00 0.00 178.31 177.27 1j2a h VAL 33 N 0.24 1.22 -0.73 1.41 2.07 -0.83 -1.13 116.25 118.49 1j2a h VAL 33 Ca 0.08 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1j2a h VAL 33 Cb 0.16 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1j2a h VAL 33 CO -0.01 0.24 0.30 0.44 0.02 0.00 0.00 177.57 178.56 1j2a h ASP 34 N 0.99 1.01 -0.45 0.57 3.32 -0.99 0.31 116.42 121.18 1j2a h ASP 34 Ca 0.25 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1j2a h ASP 34 Cb 0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1j2a h ASP 34 CO -0.04 0.90 0.02 1.88 -1.72 0.00 0.00 179.24 180.29 1j2a h TYR 35 N 1.05 0.84 0.60 4.55 0.05 -0.99 -2.24 116.97 120.83 1j2a h TYR 35 Ca 0.24 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1j2a h TYR 35 Cb 0.20 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 37.73 1j2a h TYR 35 CO 0.02 0.81 -0.29 0.28 -1.05 0.00 0.00 178.16 177.93 1j2a h VAL 36 N 0.63 0.41 0.00 -2.88 2.07 -0.84 -1.61 116.25 114.03 1j2a h VAL 36 Ca 0.13 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1j2a h VAL 36 Cb 0.46 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1j2a h VAL 36 CO 0.02 0.00 -0.01 0.78 0.02 0.00 0.00 177.57 178.37 1j2a h ASN 37 N -0.81 0.00 0.49 0.57 2.35 -0.95 -1.05 115.58 116.18 1j2a h ASN 37 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1j2a h ASN 37 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1j2a h ASN 37 CO 0.13 0.01 -0.11 -1.54 -1.65 0.00 0.00 177.43 174.28 1j2a n SER 38 N -3.96 0.33 0.00 5.81 3.41 -0.85 -4.90 113.62 113.47 1j2a n SER 38 Ca -0.03 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1j2a n SER 38 Cb 0.10 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1j2a n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2a n GLY 39 N 1.33 0.57 0.34 5.00 0.00 -0.40 -4.94 105.19 107.10 1j2a n GLY 39 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1j2a n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1j2a h PHE 40 N 0.00 1.08 0.00 1.61 3.04 -1.50 -2.08 116.94 119.09 1j2a h PHE 40 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1j2a h PHE 40 Cb 0.00 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.16 1j2a h PHE 40 CO 0.00 0.51 0.00 0.66 -2.02 0.00 0.00 178.31 177.46 1j2a n TYR 41 N -4.60 0.24 -1.92 0.41 4.01 -1.25 -4.72 117.16 109.33 1j2a n TYR 41 Ca 0.15 0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 1j2a n TYR 41 Cb 0.23 -0.62 -0.03 0.00 -0.31 0.00 0.00 39.34 38.61 1j2a n TYR 41 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1j2a s ASN 42 N -3.39 6.58 -0.90 7.72 -0.87 -0.78 -1.91 114.94 121.38 1j2a s ASN 42 Ca 0.12 2.59 0.00 0.00 -1.57 0.00 0.00 52.86 54.00 1j2a s ASN 42 Cb 0.16 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 1j2a s ASN 42 CO 0.51 -0.85 0.00 0.59 -2.57 0.00 0.00 177.10 174.77 1j2a n ASN 43 N 4.48 -4.02 -4.99 -1.22 3.02 0.12 -5.01 115.26 107.64 1j2a n ASN 43 Ca 0.15 0.21 -0.19 0.00 -0.03 0.00 0.00 54.58 54.71 1j2a n ASN 43 Cb 0.39 -2.28 -0.00 0.00 -0.61 0.00 0.00 39.78 37.28 1j2a n ASN 43 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1j2a s THR 44 N -2.32 4.00 0.45 3.41 -4.23 -0.80 -3.07 115.64 113.08 1j2a s THR 44 Ca 0.00 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1j2a s THR 44 Cb 0.00 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1j2a s THR 44 CO 0.00 -0.16 0.06 0.42 -0.54 0.00 0.00 174.62 174.39 1j2a s THR 45 N -2.23 0.99 -0.76 3.99 -4.23 -0.55 0.14 115.64 112.99 1j2a s THR 45 Ca 0.46 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 1j2a s THR 45 Cb -0.10 -2.32 0.19 0.00 1.34 0.00 0.00 72.50 71.62 1j2a s THR 45 CO 0.32 0.00 0.71 -0.36 -0.54 0.00 0.00 174.62 174.75 1j2a s PHE 46 N -3.02 3.61 -1.06 3.99 0.40 -0.41 -2.69 117.98 118.80 1j2a s PHE 46 Ca 0.16 -1.79 0.27 0.00 -0.60 0.00 0.00 56.93 54.98 1j2a s PHE 46 Cb 0.03 -3.83 0.96 0.00 0.51 0.00 0.00 43.02 40.69 1j2a s PHE 46 CO 0.09 -1.02 1.73 -2.39 0.70 0.00 0.00 175.22 174.33 1j2a n HIS 47 N 4.40 0.00 -3.67 0.36 1.44 -0.86 -4.15 115.22 112.73 1j2a n HIS 47 Ca 0.07 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.55 1j2a n HIS 47 Cb 0.45 -0.38 -0.17 0.00 0.12 0.00 0.00 29.99 30.01 1j2a n HIS 47 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1j2a s ARG 48 N -2.95 0.16 -0.03 -1.40 3.52 -1.13 -4.05 118.95 113.07 1j2a s ARG 48 Ca 0.14 0.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.86 1j2a s ARG 48 Cb 0.19 -1.23 -0.00 0.00 -1.56 0.00 0.00 34.95 32.35 1j2a s ARG 48 CO 0.59 -0.48 -0.13 0.14 -0.81 0.00 0.00 175.30 174.61 1j2a s VAL 49 N 2.09 1.09 -0.19 7.11 -7.23 -0.65 -0.28 120.40 122.33 1j2a s VAL 49 Ca 0.03 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1j2a s VAL 49 Cb -0.14 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 35.92 1j2a s VAL 49 CO -0.06 0.32 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.40 1j2a s ILE 50 N -0.01 1.00 0.18 -0.62 1.01 -0.19 -4.80 121.20 117.78 1j2a s ILE 50 Ca -0.01 -0.75 -0.33 0.00 0.00 0.00 0.00 60.65 59.57 1j2a s ILE 50 Cb -0.09 -1.32 -0.15 0.00 0.01 0.00 0.00 42.46 40.92 1j2a s ILE 50 CO 0.01 -0.05 1.32 -2.65 0.00 0.00 0.00 174.94 173.57 1j2a n PRO 51 N 4.89 1.55 -0.82 2.79 -0.02 -1.20 -1.12 135.00 141.08 1j2a n PRO 51 Ca -0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1j2a n PRO 51 Cb 0.47 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1j2a n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j2a n GLY 52 N 2.30 0.63 0.89 -1.23 0.00 -1.26 -4.79 105.19 101.73 1j2a n GLY 52 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1j2a n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j2a n PHE 53 N -2.00 0.00 -3.79 1.61 3.01 -0.27 -4.44 117.46 111.57 1j2a n PHE 53 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1j2a n PHE 53 Cb 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1j2a n PHE 53 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j2a s MET 54 N -0.86 1.19 -0.05 -1.08 0.23 -0.85 -1.17 119.30 116.71 1j2a s MET 54 Ca 0.00 -0.71 0.03 0.00 -1.03 0.00 0.00 55.69 53.98 1j2a s MET 54 Cb 0.00 0.37 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 1j2a s MET 54 CO 0.00 -0.55 -0.13 0.96 -2.03 0.00 0.00 175.02 173.27 1j2a s ILE 55 N -2.78 1.13 -0.00 3.16 -4.36 -0.77 -1.02 121.20 116.55 1j2a s ILE 55 Ca 0.16 -0.51 0.08 0.00 -0.26 0.00 0.00 60.65 60.12 1j2a s ILE 55 Cb -0.01 -1.01 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 1j2a s ILE 55 CO 0.03 0.34 -0.26 -1.58 0.24 0.00 0.00 174.94 173.72 1j2a s GLN 56 N 0.39 2.00 0.00 0.37 0.74 0.61 -0.55 119.66 123.21 1j2a s GLN 56 Ca -0.09 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.36 1j2a s GLN 56 Cb -0.13 -1.99 0.00 0.00 1.10 0.00 0.00 33.01 31.99 1j2a s GLN 56 CO 0.03 0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 1j2a n GLY 57 N 2.28 2.50 1.51 2.59 0.00 -0.37 -2.03 105.19 111.67 1j2a n GLY 57 Ca -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1j2a n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2a n GLY 58 N 0.00 0.62 0.00 -0.02 0.00 -1.10 -1.90 105.19 102.79 1j2a n GLY 58 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1j2a n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2a n GLY 59 N -2.09 0.00 3.29 -0.02 0.00 -1.26 -3.82 105.19 101.29 1j2a n GLY 59 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1j2a n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j2a s PHE 60 N -0.42 1.91 0.99 1.61 0.08 -1.26 -1.19 117.98 119.69 1j2a s PHE 60 Ca 0.00 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 1j2a s PHE 60 Cb 0.00 -1.08 0.22 0.00 -0.57 0.00 0.00 43.02 41.59 1j2a s PHE 60 CO 0.00 0.18 1.34 0.95 -0.10 0.00 0.00 175.22 177.59 1j2a s THR 61 N -1.00 2.00 0.39 0.64 -4.23 -0.05 -1.48 115.64 111.91 1j2a s THR 61 Ca 0.08 -0.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.92 1j2a s THR 61 Cb -0.10 -2.97 0.38 0.00 1.34 0.00 0.00 72.50 71.15 1j2a s THR 61 CO 0.03 0.00 2.14 -0.33 -0.54 0.00 0.00 174.62 175.93 1j2a h GLU 62 N -1.73 0.00 -0.50 3.99 5.08 -1.88 -1.63 114.58 117.91 1j2a h GLU 62 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1j2a h GLU 62 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1j2a h GLU 62 CO 0.32 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.41 1j2a n GLN 63 N -3.27 2.18 -1.39 2.33 1.13 -1.26 -4.88 117.38 112.21 1j2a n GLN 63 Ca -0.01 -1.37 -0.13 0.00 -1.94 0.00 0.00 57.00 53.54 1j2a n GLN 63 Cb 0.21 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.03 1j2a n GLN 63 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1j2a n MET 64 N 0.47 -0.93 -3.45 -1.09 1.56 -0.61 -4.99 117.12 108.08 1j2a n MET 64 Ca 0.12 0.97 -0.37 0.00 -0.27 0.00 0.00 57.70 58.15 1j2a n MET 64 Cb 0.44 -5.04 -0.07 0.00 2.15 0.00 0.00 33.22 30.71 1j2a n MET 64 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1j2a s GLN 65 N -3.14 4.26 0.06 2.12 -0.21 -1.26 -4.81 119.66 116.67 1j2a s GLN 65 Ca 0.00 0.25 -0.31 0.00 0.02 0.00 0.00 55.36 55.32 1j2a s GLN 65 Cb 0.00 -3.41 -0.06 0.00 1.00 0.00 0.00 33.01 30.54 1j2a s GLN 65 CO 0.00 0.24 1.24 -1.14 -2.12 0.00 0.00 175.29 173.51 1j2a s GLN 66 N 0.41 4.40 0.39 2.91 0.74 -1.26 -0.87 119.66 126.38 1j2a s GLN 66 Ca 0.21 1.82 -0.08 0.00 0.05 0.00 0.00 55.36 57.36 1j2a s GLN 66 Cb -0.14 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1j2a s GLN 66 CO 0.07 -0.31 0.71 0.15 -0.55 0.00 0.00 175.29 175.36 1j2a s LYS 67 N 1.19 3.69 -0.45 1.67 1.02 -0.33 -4.96 119.74 121.57 1j2a s LYS 67 Ca 0.60 0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.60 1j2a s LYS 67 Cb -0.30 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1j2a s LYS 67 CO 0.29 0.00 0.93 0.21 -0.92 0.00 0.00 175.35 175.86 1j2a s LYS 68 N -3.95 3.57 0.82 1.68 2.20 -1.26 -4.98 119.74 117.81 1j2a s LYS 68 Ca 0.48 0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 56.24 1j2a s LYS 68 Cb -0.10 -3.91 0.16 0.00 -1.51 0.00 0.00 37.83 32.46 1j2a s LYS 68 CO 0.34 -1.20 1.13 -1.25 -0.36 0.00 0.00 175.35 174.01 1j2a s PRO 69 N 3.75 1.25 0.74 4.03 0.04 -1.26 -5.11 135.00 138.45 1j2a s PRO 69 Ca 0.37 -0.82 -0.05 0.00 0.04 0.00 0.00 61.00 60.55 1j2a s PRO 69 Cb -0.10 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.42 1j2a s PRO 69 CO 0.26 -1.85 1.03 -0.80 0.04 0.00 0.00 177.00 175.68 1j2a s ASN 70 N -4.80 4.35 0.59 6.66 0.01 -1.26 -5.03 114.94 115.46 1j2a s ASN 70 Ca 0.69 0.00 -0.18 0.00 -0.71 0.00 0.00 52.86 52.66 1j2a s ASN 70 Cb -0.05 -0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.11 1j2a s ASN 70 CO 0.48 -1.87 0.89 -2.65 -1.51 0.00 0.00 177.10 172.44 1j2a n PRO 71 N -2.97 0.84 -1.01 -0.60 -0.02 -1.26 -4.87 135.00 125.11 1j2a n PRO 71 Ca 0.12 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 1j2a n PRO 71 Cb 0.60 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 32.12 1j2a n PRO 71 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j2a s PRO 72 N -2.64 1.59 0.30 0.52 0.04 -1.26 -4.87 135.00 128.68 1j2a s PRO 72 Ca 0.75 1.28 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1j2a s PRO 72 Cb -0.42 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1j2a s PRO 72 CO 0.48 -2.14 -0.07 0.96 0.04 0.00 0.00 177.00 176.27 1j2a s ILE 73 N -2.79 2.81 0.41 0.56 -4.36 -0.31 -4.97 121.20 112.56 1j2a s ILE 73 Ca 0.64 -2.11 -0.24 0.00 -0.26 0.00 0.00 60.65 58.67 1j2a s ILE 73 Cb -0.20 -2.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.79 1j2a s ILE 73 CO 0.57 -0.32 1.14 -1.59 0.24 0.00 0.00 174.94 174.99 1j2a s LYS 74 N -3.63 4.01 -0.10 0.37 -2.85 -1.26 -4.22 119.74 112.05 1j2a s LYS 74 Ca 0.32 1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 56.75 1j2a s LYS 74 Cb -0.03 -2.59 -0.02 0.00 -2.06 0.00 0.00 37.83 33.13 1j2a s LYS 74 CO 0.18 -0.34 1.12 1.21 0.10 0.00 0.00 175.35 177.62 1j2a s ASN 75 N -1.27 7.12 -0.27 0.03 3.84 -1.26 -4.82 114.94 118.31 1j2a s ASN 75 Ca 0.59 1.65 0.12 0.00 0.21 0.00 0.00 52.86 55.43 1j2a s ASN 75 Cb -0.28 -2.55 0.64 0.00 -0.55 0.00 0.00 41.25 38.50 1j2a s ASN 75 CO 0.35 -0.56 1.62 -0.62 -2.79 0.00 0.00 177.10 175.11 1j2a n GLU 76 N 5.40 3.17 0.13 0.43 1.02 -1.26 -4.67 120.64 124.86 1j2a n GLU 76 Ca 0.11 -3.04 0.09 0.00 -0.02 0.00 0.00 57.16 54.30 1j2a n GLU 76 Cb 0.47 -2.03 0.47 0.00 -0.02 0.00 0.00 31.44 30.33 1j2a n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j2a n ALA 77 N -0.43 1.14 0.08 0.62 0.00 -1.26 -1.75 120.51 118.90 1j2a n ALA 77 Ca 0.33 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1j2a n ALA 77 Cb 1.16 -1.27 0.20 0.00 0.00 0.00 0.00 19.45 19.55 1j2a n ALA 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j2a n ASP 78 N -2.11 3.34 -0.30 0.00 5.75 -1.26 -4.18 116.55 117.79 1j2a n ASP 78 Ca -0.01 -2.45 0.09 0.00 -0.01 0.00 0.00 54.79 52.42 1j2a n ASP 78 Cb 0.06 -0.58 0.42 0.00 -1.03 0.00 0.00 41.12 39.99 1j2a n ASP 78 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1j2a n ASN 79 N 0.33 0.91 0.00 -1.12 2.04 -0.72 -4.91 115.26 111.79 1j2a n ASN 79 Ca 0.14 -1.61 0.00 0.00 -0.44 0.00 0.00 54.58 52.67 1j2a n ASN 79 Cb 0.71 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.90 1j2a n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j2a n GLY 80 N 0.96 2.24 3.75 4.83 0.00 -1.26 -5.01 105.19 110.70 1j2a n GLY 80 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1j2a n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j2a s LEU 81 N 0.00 4.53 0.10 0.99 1.02 -1.26 -5.04 118.68 119.01 1j2a s LEU 81 Ca 0.00 2.15 0.04 0.00 0.02 0.00 0.00 54.13 56.34 1j2a s LEU 81 Cb 0.00 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1j2a s LEU 81 CO 0.00 -0.15 0.08 -0.13 0.02 0.00 0.00 176.35 176.16 1j2a s ARG 82 N -0.90 2.83 -1.39 1.70 0.52 -1.26 -4.69 118.95 115.76 1j2a s ARG 82 Ca 0.46 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 1j2a s ARG 82 Cb -0.30 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.51 1j2a s ARG 82 CO 0.37 0.54 2.19 0.09 0.02 0.00 0.00 175.30 178.52 1j2a n ASN 83 N 0.31 3.75 -4.98 0.23 3.02 -1.26 -4.92 115.26 111.41 1j2a n ASN 83 Ca -0.09 -2.83 -0.20 0.00 -0.03 0.00 0.00 54.58 51.44 1j2a n ASN 83 Cb 0.52 -1.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.09 1j2a n ASN 83 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1j2a s THR 84 N 3.42 3.65 0.18 3.41 -4.23 -1.26 -0.89 115.64 119.91 1j2a s THR 84 Ca 0.48 -0.85 -0.33 0.00 -1.18 0.00 0.00 61.69 59.81 1j2a s THR 84 Cb 0.14 -3.28 -0.15 0.00 1.34 0.00 0.00 72.50 70.55 1j2a s THR 84 CO -0.06 -0.14 1.36 -1.14 -0.54 0.00 0.00 174.62 174.10 1j2a n ARG 85 N -1.87 1.65 -0.15 3.99 0.63 -1.18 -1.94 116.66 117.79 1j2a n ARG 85 Ca 0.03 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1j2a n ARG 85 Cb 0.58 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.27 1j2a n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j2a n GLY 86 N 2.45 0.77 3.92 5.14 0.00 0.23 -4.94 105.19 112.76 1j2a n GLY 86 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1j2a n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2a s THR 87 N -2.45 5.08 -0.08 2.61 -4.23 -0.82 0.94 115.64 116.70 1j2a s THR 87 Ca 0.00 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1j2a s THR 87 Cb 0.00 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 1j2a s THR 87 CO 0.00 -0.43 -0.20 -0.51 -0.54 0.00 0.00 174.62 172.94 1j2a s ILE 88 N -2.18 2.47 0.18 2.99 2.07 -0.61 -1.30 121.20 124.82 1j2a s ILE 88 Ca 0.42 -0.91 0.02 0.00 -1.41 0.00 0.00 60.65 58.76 1j2a s ILE 88 Cb -0.10 -1.95 -0.05 0.00 0.13 0.00 0.00 42.46 40.49 1j2a s ILE 88 CO 0.33 0.56 0.01 0.00 -1.91 0.00 0.00 174.94 173.94 1j2a s ALA 89 N -0.12 1.34 -0.05 1.50 0.00 -0.18 -1.35 121.76 122.90 1j2a s ALA 89 Ca -0.03 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 1j2a s ALA 89 Cb -0.14 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1j2a s ALA 89 CO 0.04 -0.35 0.57 -1.64 0.00 0.00 0.00 175.76 174.38 1j2a s MET 90 N -3.94 4.33 0.48 0.00 -1.94 -0.31 -0.59 119.30 117.32 1j2a s MET 90 Ca 0.25 0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 54.79 1j2a s MET 90 Cb 0.06 -3.39 -0.06 0.00 2.01 0.00 0.00 34.83 33.46 1j2a s MET 90 CO 0.05 0.26 0.85 0.00 -0.01 0.00 0.00 175.02 176.17 1j2a s ALA 91 N 0.20 3.28 0.25 3.03 0.00 0.01 -4.37 121.76 124.16 1j2a s ALA 91 Ca 0.30 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 1j2a s ALA 91 Cb -0.17 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1j2a s ALA 91 CO 0.15 -0.24 0.83 -0.98 0.00 0.00 0.00 175.76 175.52 1j2a s ARG 92 N -4.33 1.64 0.00 0.00 1.70 -1.26 -4.33 118.95 112.37 1j2a s ARG 92 Ca 0.52 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 1j2a s ARG 92 Cb -0.10 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1j2a s ARG 92 CO 0.38 -0.75 0.00 0.25 -1.08 0.00 0.00 175.30 174.10 1j2a n THR 93 N -0.49 0.00 -0.07 4.99 -2.24 -1.26 -5.01 114.28 110.20 1j2a n THR 93 Ca -0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1j2a n THR 93 Cb 0.60 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1j2a n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2a h ALA 94 N -1.08 -0.32 -2.74 6.98 0.00 -2.02 -3.42 119.26 116.66 1j2a h ALA 94 Ca 0.00 0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 1j2a h ALA 94 Cb 0.00 0.71 0.05 0.00 0.00 0.00 0.00 17.79 18.55 1j2a h ALA 94 CO 0.00 -0.79 0.72 0.34 0.00 0.00 0.00 179.25 179.52 1j2a s ASP 95 N -5.01 6.72 0.44 0.00 -1.08 -1.26 -4.92 116.67 111.57 1j2a s ASP 95 Ca -0.15 2.60 0.11 0.00 -0.52 0.00 0.00 52.55 54.60 1j2a s ASP 95 Cb 0.12 -2.62 0.99 0.00 -1.46 0.00 0.00 42.92 39.95 1j2a s ASP 95 CO 0.67 -0.64 2.05 0.07 0.52 0.00 0.00 175.17 177.83 1j2a h LYS 96 N 4.97 0.24 -1.36 4.34 2.10 -1.97 -2.83 116.57 122.06 1j2a h LYS 96 Ca -0.46 -0.03 -0.70 0.00 -2.00 0.00 0.00 60.65 57.47 1j2a h LYS 96 Cb 1.22 -0.05 -0.30 0.00 -0.90 0.00 0.00 32.23 32.20 1j2a h LYS 96 CO 0.76 0.23 0.75 -0.25 -2.00 0.00 0.00 179.45 178.94 1j2a n ASP 97 N -4.44 7.31 -0.57 7.07 8.00 -1.26 -4.13 116.55 128.53 1j2a n ASP 97 Ca -0.00 -3.80 0.05 0.00 0.71 0.00 0.00 54.79 51.75 1j2a n ASP 97 Cb 0.13 -0.94 0.12 0.00 -0.02 0.00 0.00 41.12 40.41 1j2a n ASP 97 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1j2a n SER 98 N -0.75 2.63 -4.76 -2.24 3.41 -1.07 -4.31 113.62 106.52 1j2a n SER 98 Ca 0.57 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.93 1j2a n SER 98 Cb 0.53 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1j2a n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2a s ALA 99 N -0.97 3.51 0.00 7.33 0.00 -1.26 -4.56 121.76 125.80 1j2a s ALA 99 Ca 0.20 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1j2a s ALA 99 Cb 0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1j2a s ALA 99 CO 0.15 -0.59 0.00 0.25 0.00 0.00 0.00 175.76 175.56 1j2a n THR 100 N 1.26 0.00 0.05 0.00 -2.24 -1.26 -1.16 114.28 110.92 1j2a n THR 100 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1j2a n THR 100 Cb 0.42 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 1j2a n THR 100 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j2a n SER 101 N 0.00 1.63 -4.74 3.42 3.41 -1.26 -4.90 113.62 111.17 1j2a n SER 101 Ca 0.00 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 1j2a n SER 101 Cb 0.00 1.60 -0.04 0.00 -0.26 0.00 0.00 64.21 65.52 1j2a n SER 101 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1j2a s GLN 102 N -2.94 4.57 0.14 4.33 -0.21 -1.25 -4.70 119.66 119.60 1j2a s GLN 102 Ca -0.04 1.80 0.00 0.00 0.02 0.00 0.00 55.36 57.14 1j2a s GLN 102 Cb 0.09 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 1j2a s GLN 102 CO 0.60 0.06 0.02 -0.59 -2.12 0.00 0.00 175.29 173.25 1j2a s PHE 103 N -0.45 1.01 0.03 0.91 -0.12 -0.80 -0.81 117.98 117.75 1j2a s PHE 103 Ca 0.49 -1.10 -0.01 0.00 -0.05 0.00 0.00 56.93 56.26 1j2a s PHE 103 Cb -0.31 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 1j2a s PHE 103 CO 0.37 -0.34 -0.01 -0.59 -0.05 0.00 0.00 175.22 174.61 1j2a s PHE 104 N -3.83 0.35 -0.17 3.49 -0.12 0.24 -1.23 117.98 116.71 1j2a s PHE 104 Ca 0.22 -0.73 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 1j2a s PHE 104 Cb 0.07 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 1j2a s PHE 104 CO 0.02 -0.29 -0.12 0.42 -0.05 0.00 0.00 175.22 175.20 1j2a s ILE 105 N -2.60 2.95 -0.03 -4.49 1.01 0.28 -1.01 121.20 117.30 1j2a s ILE 105 Ca -0.05 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 1j2a s ILE 105 Cb -0.02 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1j2a s ILE 105 CO -0.05 0.49 1.06 0.20 0.00 0.00 0.00 174.94 176.64 1j2a s ASN 106 N 0.94 7.23 0.00 3.58 0.01 -0.42 -1.85 114.94 124.43 1j2a s ASN 106 Ca -0.02 1.70 0.20 0.00 -0.71 0.00 0.00 52.86 54.03 1j2a s ASN 106 Cb -0.15 -2.56 0.40 0.00 0.41 0.00 0.00 41.25 39.35 1j2a s ASN 106 CO -0.01 -0.41 1.34 1.33 -1.51 0.00 0.00 177.10 177.84 1j2a n VAL 107 N 4.25 0.59 -3.89 1.60 0.24 -0.32 -0.60 118.33 120.20 1j2a n VAL 107 Ca 0.08 -0.80 -0.08 0.00 -2.04 0.00 0.00 64.34 61.51 1j2a n VAL 107 Cb 0.49 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 1j2a n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j2a s ALA 108 N -1.29 -0.85 -0.38 2.33 0.00 -1.22 -4.82 121.76 115.52 1j2a s ALA 108 Ca 0.35 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 1j2a s ALA 108 Cb 0.20 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1j2a s ALA 108 CO 0.28 -0.98 1.33 -0.51 0.00 0.00 0.00 175.76 175.88 1j2a s ASP 109 N -2.98 6.50 -0.75 0.00 -0.00 -1.26 -3.08 116.67 115.10 1j2a s ASP 109 Ca 0.15 0.90 0.03 0.00 -0.00 0.00 0.00 52.55 53.63 1j2a s ASP 109 Cb -0.04 -2.54 0.28 0.00 -0.00 0.00 0.00 42.92 40.61 1j2a s ASP 109 CO 0.09 -1.28 0.98 0.59 -0.00 0.00 0.00 175.17 175.54 1j2a n ASN 110 N 8.26 4.60 0.33 0.27 3.02 -0.07 -4.88 115.26 126.78 1j2a n ASN 110 Ca 0.15 -3.48 0.21 0.00 -0.03 0.00 0.00 54.58 51.43 1j2a n ASN 110 Cb 0.48 -0.81 1.12 0.00 -0.61 0.00 0.00 39.78 39.96 1j2a n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j2a h ALA 111 N 4.31 1.17 0.00 5.41 0.00 -1.92 -1.02 119.26 127.21 1j2a h ALA 111 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1j2a h ALA 111 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1j2a h ALA 111 CO 0.96 -0.02 0.00 1.97 0.00 0.00 0.00 179.25 182.16 1j2a n PHE 112 N -3.30 0.33 1.11 0.00 1.16 -1.26 -1.72 117.46 113.78 1j2a n PHE 112 Ca -0.03 0.13 0.12 0.00 -1.87 0.00 0.00 57.45 55.80 1j2a n PHE 112 Cb 0.09 -0.72 0.16 0.00 -1.61 0.00 0.00 39.48 37.40 1j2a n PHE 112 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1j2a n LEU 113 N -1.80 1.62 -4.81 5.98 4.77 -0.39 -4.97 117.00 117.40 1j2a n LEU 113 Ca 0.02 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 55.12 1j2a n LEU 113 Cb 0.16 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1j2a n LEU 113 CO 0.14 0.30 0.70 -1.81 -1.33 0.00 0.00 177.39 175.39 1j2a s ASP 114 N -2.48 6.19 0.26 -1.43 1.01 -0.70 -0.79 116.67 118.73 1j2a s ASP 114 Ca 0.21 1.76 -0.31 0.00 0.71 0.00 0.00 52.55 54.93 1j2a s ASP 114 Cb 0.19 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 1j2a s ASP 114 CO 0.55 -0.88 1.41 1.57 0.21 0.00 0.00 175.17 178.02 1j2a n HIS 115 N -1.61 2.24 -3.62 4.23 -0.00 -1.25 -4.48 115.22 110.72 1j2a n HIS 115 Ca 0.08 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1j2a n HIS 115 Cb 0.53 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 1j2a n HIS 115 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1j2a n GLY 116 N 1.96 3.59 0.14 1.57 0.00 -0.50 -4.95 105.19 106.99 1j2a n GLY 116 Ca 0.10 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.79 1j2a n GLY 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1j2a h GLN 117 N 0.00 0.00 0.00 1.61 4.15 -1.98 -3.35 115.11 115.54 1j2a h GLN 117 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1j2a h GLN 117 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1j2a h GLN 117 CO 0.00 0.00 -1.78 0.54 -1.93 0.00 0.00 178.83 175.66 1j2a n ARG 118 N -2.63 0.56 -3.78 1.69 1.74 -1.26 -4.97 116.66 108.01 1j2a n ARG 118 Ca 0.03 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 1j2a n ARG 118 Cb 0.50 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 30.40 1j2a n ARG 118 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1j2a s ASP 119 N -4.00 -0.26 0.52 0.55 2.15 -1.26 -5.04 116.67 109.33 1j2a s ASP 119 Ca -0.06 0.51 0.25 0.00 0.43 0.00 0.00 52.55 53.68 1j2a s ASP 119 Cb 0.11 0.51 1.44 0.00 -0.30 0.00 0.00 42.92 44.69 1j2a s ASP 119 CO 0.74 -0.09 2.10 0.15 -0.17 0.00 0.00 175.17 177.90 1j2a h PHE 120 N 5.79 0.00 0.00 -5.34 3.57 -1.92 -1.33 116.94 117.71 1j2a h PHE 120 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1j2a h PHE 120 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1j2a h PHE 120 CO 0.40 0.10 0.00 0.41 -2.23 0.00 0.00 178.31 176.99 1j2a n GLY 121 N -0.91 -2.23 3.39 2.40 0.00 -1.26 -3.87 105.19 102.70 1j2a n GLY 121 Ca -0.02 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1j2a n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j2a s TYR 122 N -0.26 2.84 -0.15 1.61 1.51 0.03 -4.85 117.35 118.08 1j2a s TYR 122 Ca 0.00 -0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 55.16 1j2a s TYR 122 Cb 0.00 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1j2a s TYR 122 CO 0.00 -0.20 1.43 0.00 -1.11 0.00 0.00 175.55 175.67 1j2a s ALA 123 N 0.38 3.58 0.01 3.71 0.00 -1.26 -4.74 121.76 123.42 1j2a s ALA 123 Ca -0.10 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.24 1j2a s ALA 123 Cb -0.16 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 1j2a s ALA 123 CO 0.05 -1.39 0.59 0.08 0.00 0.00 0.00 175.76 175.09 1j2a s VAL 124 N 3.95 4.89 -0.00 0.00 1.01 -1.26 -1.17 120.40 127.81 1j2a s VAL 124 Ca 0.63 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1j2a s VAL 124 Cb -0.25 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1j2a s VAL 124 CO 0.22 0.44 0.69 2.22 0.00 0.00 0.00 175.10 178.67 1j2a n PHE 125 N 2.58 0.00 -2.44 5.22 -1.74 -0.46 -4.80 117.46 115.81 1j2a n PHE 125 Ca -0.07 -0.16 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 1j2a n PHE 125 Cb 0.51 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.49 1j2a n PHE 125 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1j2a n GLY 126 N -0.17 -1.31 3.24 4.97 0.00 -1.21 -0.78 105.19 109.92 1j2a n GLY 126 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1j2a n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j2a s LYS 127 N -0.78 0.92 -0.19 1.61 -2.85 -0.63 -1.57 119.74 116.24 1j2a s LYS 127 Ca 0.00 -0.89 -0.24 0.00 -1.00 0.00 0.00 55.97 53.84 1j2a s LYS 127 Cb 0.00 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1j2a s LYS 127 CO 0.00 -0.31 0.80 0.08 0.10 0.00 0.00 175.35 176.02 1j2a s VAL 128 N -3.85 4.89 -0.59 1.79 1.01 0.27 -0.98 120.40 122.94 1j2a s VAL 128 Ca 0.05 1.55 0.21 0.00 0.00 0.00 0.00 61.98 63.78 1j2a s VAL 128 Cb 0.04 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 1j2a s VAL 128 CO -0.11 0.01 0.71 1.33 0.00 0.00 0.00 175.10 177.04 1j2a n VAL 129 N 4.87 0.00 -3.65 2.92 0.24 -0.22 -4.94 118.33 117.56 1j2a n VAL 129 Ca 0.04 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1j2a n VAL 129 Cb 0.49 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.38 1j2a n VAL 129 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j2a s LYS 130 N -3.16 0.75 0.00 7.34 2.20 -1.16 -4.97 119.74 120.73 1j2a s LYS 130 Ca 0.01 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1j2a s LYS 130 Cb 0.15 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 1j2a s LYS 130 CO 0.86 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 1j2a n GLY 131 N 3.01 0.91 0.22 5.54 0.00 -1.26 -0.71 105.19 112.90 1j2a n GLY 131 Ca -0.15 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1j2a n GLY 131 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1j2a h MET 132 N 0.33 0.00 -0.26 1.61 2.86 -1.92 -0.77 114.93 116.78 1j2a h MET 132 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1j2a h MET 132 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1j2a h MET 132 CO 0.00 0.19 -0.04 0.38 1.06 0.00 0.00 176.91 178.50 1j2a h ASP 133 N 0.00 0.38 -0.27 1.22 -0.00 -1.96 0.06 116.42 115.85 1j2a h ASP 133 Ca -0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.03 56.84 1j2a h ASP 133 Cb 0.34 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1j2a h ASP 133 CO 0.02 0.48 -0.31 0.58 -0.00 0.00 0.00 179.24 180.01 1j2a h VAL 134 N 0.39 1.31 -0.38 4.15 2.07 -1.51 -1.72 116.25 120.56 1j2a h VAL 134 Ca 0.08 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1j2a h VAL 134 Cb 0.33 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1j2a h VAL 134 CO 0.01 0.47 0.21 0.00 0.02 0.00 0.00 177.57 178.29 1j2a h ALA 135 N 0.69 0.48 -0.51 1.67 0.00 -0.66 -0.60 119.26 120.32 1j2a h ALA 135 Ca 0.04 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1j2a h ALA 135 Cb 0.88 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1j2a h ALA 135 CO 0.07 -0.13 0.25 -0.44 0.00 0.00 0.00 179.25 179.00 1j2a h ASP 136 N 0.44 0.34 -0.65 0.00 3.45 -0.92 -1.83 116.42 117.25 1j2a h ASP 136 Ca 0.15 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.67 1j2a h ASP 136 Cb 0.02 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 1j2a h ASP 136 CO -0.08 0.23 0.41 0.11 -1.57 0.00 0.00 179.24 178.34 1j2a h LYS 137 N 0.48 0.80 -0.64 3.56 6.56 -0.60 -2.37 116.57 124.36 1j2a h LYS 137 Ca 0.23 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.75 1j2a h LYS 137 Cb 0.17 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 1j2a h LYS 137 CO -0.18 0.53 0.31 0.82 -2.06 0.00 0.00 179.45 178.88 1j2a h ILE 138 N 0.83 1.21 0.00 1.86 2.04 -0.65 -2.16 117.51 120.64 1j2a h ILE 138 Ca 0.25 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1j2a h ILE 138 Cb -0.04 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1j2a h ILE 138 CO -0.08 0.24 0.00 0.77 0.00 0.00 0.00 178.15 179.08 1j2a h SER 139 N 0.90 0.00 -0.51 1.72 4.64 -0.81 -3.03 113.55 116.46 1j2a h SER 139 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1j2a h SER 139 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1j2a h SER 139 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1j2a n GLN 140 N -2.36 2.57 -2.40 4.77 6.02 -0.81 -3.21 117.38 121.95 1j2a n GLN 140 Ca 0.01 -2.34 -0.36 0.00 -0.01 0.00 0.00 57.00 54.30 1j2a n GLN 140 Cb 0.21 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 1j2a n GLN 140 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1j2a s VAL 141 N -1.16 3.44 0.42 5.09 -7.23 -1.15 -4.97 120.40 114.85 1j2a s VAL 141 Ca 0.39 1.01 -0.26 0.00 -1.81 0.00 0.00 61.98 61.31 1j2a s VAL 141 Cb 0.21 -3.48 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 1j2a s VAL 141 CO 0.28 -0.08 1.43 -0.81 -0.31 0.00 0.00 175.10 175.61 1j2a n PRO 142 N -0.62 2.37 -4.56 4.82 -0.04 -1.26 -4.90 135.00 130.80 1j2a n PRO 142 Ca 0.08 0.84 -0.27 0.00 -0.04 0.00 0.00 63.50 64.11 1j2a n PRO 142 Cb 0.50 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.26 1j2a n PRO 142 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j2a s THR 143 N -1.16 0.88 1.13 0.52 -4.23 -1.26 -1.18 115.64 110.34 1j2a s THR 143 Ca 0.58 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1j2a s THR 143 Cb -0.47 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1j2a s THR 143 CO 0.60 0.00 1.23 -1.00 -0.54 0.00 0.00 174.62 174.91 1j2a s HIS 144 N -3.13 0.66 -0.42 3.99 3.76 -0.13 -4.72 115.29 115.30 1j2a s HIS 144 Ca 0.23 0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.48 1j2a s HIS 144 Cb 0.04 -3.85 0.27 0.00 1.11 0.00 0.00 32.58 30.15 1j2a s HIS 144 CO 0.12 -3.51 1.09 -3.47 -0.85 0.00 0.00 174.74 168.12 1j2a n ASP 145 N -4.41 -2.15 0.00 1.40 4.64 -1.26 -4.44 116.55 110.32 1j2a n ASP 145 Ca 0.16 -2.76 0.00 0.00 -1.38 0.00 0.00 54.79 50.81 1j2a n ASP 145 Cb 0.60 1.44 0.00 0.00 -1.04 0.00 0.00 41.12 42.12 1j2a n ASP 145 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1j2a n VAL 146 N 1.28 0.00 -0.37 5.18 0.31 -1.26 -5.03 118.33 118.45 1j2a n VAL 146 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1j2a n VAL 146 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 1j2a n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j2a n GLY 147 N 0.44 0.48 0.00 2.92 0.00 -1.26 -4.88 105.19 102.89 1j2a n GLY 147 Ca 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.42 1j2a n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j2a n PRO 148 N 0.00 0.32 -1.54 1.61 -0.04 -1.26 -2.81 135.00 131.28 1j2a n PRO 148 Ca 0.00 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1j2a n PRO 148 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1j2a n PRO 148 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j2a n TYR 149 N -1.12 2.38 0.97 0.54 4.02 -1.26 -4.71 117.16 117.98 1j2a n TYR 149 Ca 0.08 -2.24 0.11 0.00 -0.01 0.00 0.00 57.90 55.85 1j2a n TYR 149 Cb 0.07 -0.62 0.55 0.00 -0.02 0.00 0.00 39.34 39.32 1j2a n TYR 149 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j2a n GLN 150 N -0.87 0.18 -0.25 -0.72 10.64 -1.12 -2.63 117.38 122.61 1j2a n GLN 150 Ca 0.45 0.08 0.12 0.00 -1.83 0.00 0.00 57.00 55.82 1j2a n GLN 150 Cb 0.91 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 29.03 1j2a n GLN 150 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1j2a n ASN 151 N -1.38 3.64 -4.67 2.61 3.02 -1.26 -3.51 115.26 113.70 1j2a n ASN 151 Ca 0.09 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 1j2a n ASN 151 Cb 0.23 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1j2a n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j2a s VAL 152 N -1.34 4.97 0.83 2.41 1.01 -1.08 -1.64 120.40 125.56 1j2a s VAL 152 Ca 0.42 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 1j2a s VAL 152 Cb 0.24 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1j2a s VAL 152 CO 0.32 0.09 0.99 -2.65 0.00 0.00 0.00 175.10 173.85 1j2a n PRO 153 N 5.00 0.07 0.01 2.72 -0.02 -1.26 -0.96 135.00 140.56 1j2a n PRO 153 Ca 0.01 0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 1j2a n PRO 153 Cb 0.49 -2.26 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1j2a n PRO 153 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1j2a h SER 154 N -1.01 0.57 -2.52 2.55 0.02 -1.44 -3.37 113.55 108.35 1j2a h SER 154 Ca -0.45 -0.27 -0.58 0.00 -0.84 0.00 0.00 61.79 59.65 1j2a h SER 154 Cb 1.30 -0.16 -0.39 0.00 0.14 0.00 0.00 62.40 63.30 1j2a h SER 154 CO 0.43 0.94 -0.88 -0.75 -1.14 0.00 0.00 176.83 175.43 1j2a s LYS 155 N -4.15 0.63 0.29 3.45 2.47 -1.26 -5.08 119.74 116.08 1j2a s LYS 155 Ca -0.07 -1.50 -0.30 0.00 -1.56 0.00 0.00 55.97 52.54 1j2a s LYS 155 Cb 0.12 -1.31 -0.12 0.00 -1.46 0.00 0.00 37.83 35.06 1j2a s LYS 155 CO 0.82 -1.25 1.47 -2.30 0.16 0.00 0.00 175.35 174.25 1j2a n PRO 156 N 3.77 2.38 -1.98 4.03 -0.02 -1.26 -4.92 135.00 137.00 1j2a n PRO 156 Ca 0.16 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 1j2a n PRO 156 Cb 0.40 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1j2a n PRO 156 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j2a s VAL 157 N -0.33 2.68 -0.09 -1.45 1.01 -1.26 -4.81 120.40 116.15 1j2a s VAL 157 Ca 0.63 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 1j2a s VAL 157 Cb -0.56 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1j2a s VAL 157 CO 0.53 0.06 0.18 -0.69 0.00 0.00 0.00 175.10 175.18 1j2a s VAL 158 N 0.62 5.44 -0.56 2.92 1.01 -1.26 -1.28 120.40 127.29 1j2a s VAL 158 Ca 0.65 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 1j2a s VAL 158 Cb -0.42 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1j2a s VAL 158 CO 0.37 0.57 0.71 -0.63 0.00 0.00 0.00 175.10 176.13 1j2a s ILE 159 N -1.08 4.76 0.16 2.22 1.01 0.12 -1.13 121.20 127.27 1j2a s ILE 159 Ca 0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1j2a s ILE 159 Cb -0.13 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.90 1j2a s ILE 159 CO 0.07 -1.02 1.53 -0.07 0.00 0.00 0.00 174.94 175.45 1j2a h LEU 160 N 10.08 0.97 -7.28 2.97 -0.00 -1.08 0.34 115.31 121.31 1j2a h LEU 160 Ca -0.28 -0.40 -0.09 0.00 -0.00 0.00 0.00 57.88 57.10 1j2a h LEU 160 Cb 1.09 -0.27 -0.20 0.00 -0.00 0.00 0.00 40.66 41.28 1j2a h LEU 160 CO 1.05 1.19 -0.07 -0.94 -0.00 0.00 0.00 178.44 179.67 1j2a s SER 161 N -6.79 -0.40 -0.06 -0.43 1.04 -1.17 -3.99 113.70 101.90 1j2a s SER 161 Ca -0.11 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.75 1j2a s SER 161 Cb 0.12 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1j2a s SER 161 CO 0.87 -0.51 -0.18 0.00 0.98 0.00 0.00 173.24 174.40 1j2a s ALA 162 N -1.21 1.65 -0.01 5.32 0.00 -1.26 -1.29 121.76 124.95 1j2a s ALA 162 Ca -0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1j2a s ALA 162 Cb -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1j2a s ALA 162 CO 0.07 0.26 0.02 0.95 0.00 0.00 0.00 175.76 177.06 1j2a s THR 163 N 0.20 -0.03 -0.00 0.00 -4.23 -0.73 -4.79 115.64 106.06 1j2a s THR 163 Ca -0.09 0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 1j2a s THR 163 Cb -0.14 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1j2a s THR 163 CO 0.04 0.05 1.22 -0.69 -0.54 0.00 0.00 174.62 174.70 1j2a s VAL 164 N 0.57 4.11 0.41 2.29 1.01 -1.26 -0.36 120.40 127.16 1j2a s VAL 164 Ca -0.05 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 1j2a s VAL 164 Cb -0.07 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1j2a s VAL 164 CO -0.02 0.05 0.80 -0.76 0.00 0.00 0.00 175.10 175.17 1j2a s LEU 165 N 1.76 3.84 0.00 3.92 1.43 0.66 -4.94 118.68 125.34 1j2a s LEU 165 Ca 0.58 1.22 0.22 0.00 -1.03 0.00 0.00 54.13 55.13 1j2a s LEU 165 Cb -0.27 -4.10 1.34 0.00 0.03 0.00 0.00 46.19 43.19 1j2a s LEU 165 CO 0.25 -0.39 1.71 -0.81 0.23 0.00 0.00 176.35 177.34