#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri s SER 2 N 0.00 -0.36 0.15 1.61 0.15 -1.26 -5.18 113.70 108.81 2cri s SER 2 Ca 0.00 0.52 -0.13 0.00 0.70 0.00 0.00 55.95 57.05 2cri s SER 2 Cb 0.00 1.31 0.01 0.00 -1.71 0.00 0.00 66.02 65.63 2cri s SER 2 CO 0.00 -0.08 0.36 -0.44 1.20 0.00 0.00 173.24 174.29 2cri s SER 3 N 1.83 -0.09 -0.34 5.45 0.01 -1.26 -5.09 113.70 114.22 2cri s SER 3 Ca -0.05 -0.61 0.15 0.00 1.31 0.00 0.00 55.95 56.75 2cri s SER 3 Cb -0.04 0.47 0.43 0.00 0.21 0.00 0.00 66.02 67.10 2cri s SER 3 CO -0.15 -0.91 1.31 0.61 0.41 0.00 0.00 173.24 174.51 2cri n GLY 4 N -0.23 1.69 3.32 3.44 0.00 -1.26 -5.12 105.19 107.03 2cri n GLY 4 Ca -0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2cri n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 5 N -2.01 -0.28 0.04 1.61 0.01 -1.26 -5.09 113.70 106.72 2cri s SER 5 Ca 0.19 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 2cri s SER 5 Cb 0.41 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 67.05 2cri s SER 5 CO -0.07 -0.65 -0.07 -1.20 0.41 0.00 0.00 173.24 171.66 2cri n SER 6 N 0.55 1.24 0.00 2.44 7.64 -1.26 -5.09 113.62 119.14 2cri n SER 6 Ca -0.19 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2cri n SER 6 Cb 0.60 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2cri n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cri n GLY 7 N 3.07 3.66 3.57 0.23 0.00 -1.26 -5.09 105.19 109.37 2cri n GLY 7 Ca -0.03 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 2cri n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cri s MET 8 N 0.00 3.81 0.23 1.61 1.00 -1.26 -5.07 119.30 119.62 2cri s MET 8 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 55.69 55.28 2cri s MET 8 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 34.83 31.08 2cri s MET 8 CO 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 175.02 174.90 2cri s ALA 9 N 1.76 1.34 -0.47 3.03 0.00 -1.26 -5.12 121.76 121.03 2cri s ALA 9 Ca 0.07 -1.76 -0.10 0.00 0.00 0.00 0.00 51.96 50.17 2cri s ALA 9 Cb -0.16 1.35 0.12 0.00 0.00 0.00 0.00 23.12 24.43 2cri s ALA 9 CO 0.11 -0.58 0.35 0.15 0.00 0.00 0.00 175.76 175.79 2cri s LYS 10 N -4.05 2.51 -0.41 0.00 1.02 -1.26 -5.04 119.74 112.51 2cri s LYS 10 Ca 0.39 -1.75 -0.08 0.00 0.02 0.00 0.00 55.97 54.55 2cri s LYS 10 Cb 0.06 -3.95 0.08 0.00 -0.52 0.00 0.00 37.83 33.51 2cri s LYS 10 CO 0.14 -1.20 0.24 -3.38 -0.92 0.00 0.00 175.35 170.23 2cri s HIS 11 N 1.38 3.37 -0.20 3.18 -3.43 -1.26 -4.95 115.29 113.38 2cri s HIS 11 Ca 0.05 -1.69 -0.00 0.00 -0.80 0.00 0.00 55.06 52.62 2cri s HIS 11 Cb -0.26 -2.97 0.16 0.00 -1.43 0.00 0.00 32.58 28.07 2cri s HIS 11 CO -0.00 -0.87 1.84 0.39 -2.00 0.00 0.00 174.74 174.09 2cri n GLU 12 N 4.85 1.51 -3.82 -0.38 1.02 -1.26 -4.83 120.64 117.74 2cri n GLU 12 Ca -0.09 -1.04 -0.12 0.00 -0.02 0.00 0.00 57.16 55.88 2cri n GLU 12 Cb 0.43 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2cri s GLN 13 N -1.20 0.57 0.11 3.49 0.00 -1.26 -4.36 119.66 117.01 2cri s GLN 13 Ca 0.20 -0.32 0.11 0.00 -0.00 0.00 0.00 55.36 55.36 2cri s GLN 13 Cb 0.16 0.24 -0.14 0.00 0.00 0.00 0.00 33.01 33.27 2cri s GLN 13 CO 0.01 -0.15 1.12 0.97 0.00 0.00 0.00 175.29 177.24 2cri h ILE 14 N 4.07 1.17 -3.19 3.63 6.09 -1.91 -3.45 117.51 123.93 2cri h ILE 14 Ca -0.30 -2.81 -0.59 0.00 -1.37 0.00 0.00 64.86 59.79 2cri h ILE 14 Cb 1.19 2.55 -0.07 0.00 0.47 0.00 0.00 36.82 40.96 2cri h ILE 14 CO 0.40 0.67 -0.16 -0.76 -3.07 0.00 0.00 178.15 175.23 2cri s LEU 15 N -6.39 4.38 -0.51 2.19 1.43 -1.26 -4.42 118.68 114.10 2cri s LEU 15 Ca -0.00 0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 2cri s LEU 15 Cb 0.09 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.72 2cri s LEU 15 CO 0.80 0.17 0.53 -0.69 0.23 0.00 0.00 176.35 177.39 2cri s VAL 16 N -0.26 5.04 0.64 -1.59 1.01 -0.79 -4.99 120.40 119.46 2cri s VAL 16 Ca 0.25 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2cri s VAL 16 Cb -0.16 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 2cri s VAL 16 CO 0.12 -0.77 1.08 -0.76 0.00 0.00 0.00 175.10 174.78 2cri s LEU 17 N 2.15 3.41 -0.11 3.92 1.02 -1.26 -0.83 118.68 126.97 2cri s LEU 17 Ca 0.09 1.88 -0.04 0.00 0.02 0.00 0.00 54.13 56.09 2cri s LEU 17 Cb -0.23 -4.54 0.06 0.00 0.02 0.00 0.00 46.19 41.50 2cri s LEU 17 CO 0.08 -1.42 0.18 -1.81 0.02 0.00 0.00 176.35 173.40 2cri s ASP 18 N -2.79 0.89 0.28 2.29 1.11 0.34 -1.23 116.67 117.57 2cri s ASP 18 Ca 0.65 0.22 -0.29 0.00 0.18 0.00 0.00 52.55 53.30 2cri s ASP 18 Cb -0.18 0.32 -0.10 0.00 1.07 0.00 0.00 42.92 44.03 2cri s ASP 18 CO 0.41 -0.26 1.25 -2.16 1.18 0.00 0.00 175.17 175.58 2cri s PRO 19 N 2.31 4.45 0.22 8.23 0.04 -1.26 -0.72 135.00 148.26 2cri s PRO 19 Ca 0.03 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 2cri s PRO 19 Cb -0.13 -3.14 0.22 0.00 0.04 0.00 0.00 34.50 31.49 2cri s PRO 19 CO -0.07 -0.09 1.58 -1.00 0.04 0.00 0.00 177.00 177.46 2cri h PRO 20 N 4.04 0.53 0.00 0.56 0.13 -1.53 -3.37 132.00 132.36 2cri h PRO 20 Ca -0.47 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 20 CO 0.69 0.87 0.00 0.43 -0.23 0.00 0.00 178.00 179.75 2cri n SER 21 N -4.01 0.00 -3.91 1.44 7.64 -1.26 -4.92 113.62 108.60 2cri n SER 21 Ca -0.02 0.42 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 2cri n SER 21 Cb 0.53 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2cri s ASP 22 N -1.92 0.12 -0.45 6.43 1.47 -1.26 -4.28 116.67 116.78 2cri s ASP 22 Ca 0.00 -0.40 -0.21 0.00 1.18 0.00 0.00 52.55 53.13 2cri s ASP 22 Cb 0.00 0.21 0.03 0.00 -0.34 0.00 0.00 42.92 42.82 2cri s ASP 22 CO 0.00 -0.44 0.65 -0.22 0.68 0.00 0.00 175.17 175.83 2cri s LEU 23 N -1.80 4.53 0.09 2.11 2.96 -1.20 -4.56 118.68 120.82 2cri s LEU 23 Ca -0.10 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 2cri s LEU 23 Cb -0.04 -2.71 -0.07 0.00 0.50 0.00 0.00 46.19 43.87 2cri s LEU 23 CO -0.02 -0.80 0.58 -0.54 -1.32 0.00 0.00 176.35 174.25 2cri s LYS 24 N 2.83 4.20 -0.20 1.98 1.02 -1.26 -1.02 119.74 127.29 2cri s LYS 24 Ca 0.22 0.74 -0.03 0.00 0.02 0.00 0.00 55.97 56.92 2cri s LYS 24 Cb -0.14 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2cri s LYS 24 CO 0.18 0.61 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.08 2cri s PHE 25 N -1.17 2.91 -0.32 3.18 0.40 -0.41 -4.95 117.98 117.62 2cri s PHE 25 Ca 0.31 -0.95 -0.22 0.00 -0.60 0.00 0.00 56.93 55.47 2cri s PHE 25 Cb -0.19 -2.03 -0.00 0.00 0.51 0.00 0.00 43.02 41.31 2cri s PHE 25 CO 0.19 -0.50 0.72 0.21 0.70 0.00 0.00 175.22 176.54 2cri s LYS 26 N 1.22 3.87 0.00 0.44 2.36 -1.26 -0.43 119.74 125.94 2cri s LYS 26 Ca 0.02 0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.83 2cri s LYS 26 Cb -0.14 -3.75 0.00 0.00 -1.05 0.00 0.00 37.83 32.88 2cri s LYS 26 CO -0.03 -0.68 0.00 0.41 1.55 0.00 0.00 175.35 176.60 2cri n GLY 27 N 4.38 -3.15 3.76 5.54 0.00 -0.69 -4.89 105.19 110.13 2cri n GLY 27 Ca 0.02 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 2cri n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 28 N -0.77 2.06 -0.27 1.61 0.04 -1.26 -4.69 135.00 131.72 2cri s PRO 28 Ca 0.00 1.10 0.11 0.00 0.04 0.00 0.00 61.00 62.25 2cri s PRO 28 Cb 0.00 -1.88 0.73 0.00 0.04 0.00 0.00 34.50 33.39 2cri s PRO 28 CO 0.00 -1.76 1.71 1.19 0.04 0.00 0.00 177.00 178.18 2cri n PHE 29 N -3.59 2.17 0.70 0.56 3.72 -1.26 -4.31 117.46 115.45 2cri n PHE 29 Ca 0.09 -0.94 0.12 0.00 -0.05 0.00 0.00 57.45 56.67 2cri n PHE 29 Cb 0.53 -0.59 0.48 0.00 -0.94 0.00 0.00 39.48 38.96 2cri n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2cri n THR 30 N 0.18 0.49 -3.86 4.37 5.66 -1.26 -3.65 114.28 116.21 2cri n THR 30 Ca 0.33 -0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 61.22 2cri n THR 30 Cb 1.25 -0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 2cri n THR 30 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2cri n ASP 31 N -1.86 -1.04 -4.65 1.09 2.03 -1.26 -4.87 116.55 105.98 2cri n ASP 31 Ca 0.05 -2.30 -0.42 0.00 0.52 0.00 0.00 54.79 52.64 2cri n ASP 31 Cb 0.32 1.90 -0.03 0.00 -0.72 0.00 0.00 41.12 42.59 2cri n ASP 31 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2cri n VAL 32 N -0.40 0.72 -3.58 5.18 0.31 -1.26 -3.91 118.33 115.39 2cri n VAL 32 Ca -0.00 -0.18 -0.37 0.00 -0.01 0.00 0.00 64.34 63.78 2cri n VAL 32 Cb 0.41 -2.34 -0.10 0.00 -0.91 0.00 0.00 33.84 30.91 2cri n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cri s VAL 33 N 4.92 5.31 -0.41 2.52 1.01 0.71 -4.84 120.40 129.61 2cri s VAL 33 Ca 0.91 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 2cri s VAL 33 Cb -0.43 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2cri s VAL 33 CO 0.42 0.29 0.36 -0.89 0.00 0.00 0.00 175.10 175.27 2cri s THR 34 N 1.42 5.19 -0.14 3.92 2.01 -1.26 0.13 115.64 126.90 2cri s THR 34 Ca 0.09 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 2cri s THR 34 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2cri s THR 34 CO 0.08 -0.34 0.05 -0.89 -0.69 0.00 0.00 174.62 172.83 2cri s THR 35 N 1.88 4.75 -0.23 -0.82 2.01 0.55 -4.93 115.64 118.85 2cri s THR 35 Ca 0.08 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 2cri s THR 35 Cb -0.18 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2cri s THR 35 CO 0.12 0.54 0.45 0.54 -0.69 0.00 0.00 174.62 175.58 2cri s ASN 36 N -0.27 6.42 -0.36 3.53 4.22 -1.26 -0.41 114.94 126.82 2cri s ASN 36 Ca 0.08 0.50 -0.11 0.00 -2.14 0.00 0.00 52.86 51.19 2cri s ASN 36 Cb -0.12 -2.26 0.02 0.00 1.28 0.00 0.00 41.25 40.17 2cri s ASN 36 CO 0.02 -0.19 0.21 -0.22 -2.04 0.00 0.00 177.10 174.88 2cri s LEU 37 N 1.85 4.62 -0.06 3.54 0.20 -0.70 -4.87 118.68 123.25 2cri s LEU 37 Ca 0.20 -0.84 -0.22 0.00 0.69 0.00 0.00 54.13 53.96 2cri s LEU 37 Cb -0.15 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2cri s LEU 37 CO 0.09 -0.34 0.64 -0.54 -0.29 0.00 0.00 176.35 175.91 2cri s LYS 38 N 1.60 4.40 -0.28 1.98 1.02 0.10 -1.67 119.74 126.88 2cri s LYS 38 Ca 0.03 0.77 0.01 0.00 0.02 0.00 0.00 55.97 56.80 2cri s LYS 38 Cb -0.19 -3.42 0.08 0.00 -0.52 0.00 0.00 37.83 33.78 2cri s LYS 38 CO 0.07 0.15 0.02 -0.51 -0.92 0.00 0.00 175.35 174.16 2cri s LEU 39 N 0.54 3.03 0.42 3.17 1.43 -0.78 0.13 118.68 126.61 2cri s LEU 39 Ca 0.34 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.77 2cri s LEU 39 Cb -0.17 -1.20 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 2cri s LEU 39 CO 0.16 -0.32 0.81 -1.58 0.23 0.00 0.00 176.35 175.65 2cri s GLN 40 N 1.34 3.82 -0.32 1.70 0.74 -0.01 -2.52 119.66 124.40 2cri s GLN 40 Ca 0.03 0.57 -0.01 0.00 0.05 0.00 0.00 55.36 56.00 2cri s GLN 40 Cb -0.18 -2.35 0.10 0.00 1.10 0.00 0.00 33.01 31.68 2cri s GLN 40 CO -0.12 -0.07 0.12 1.21 -0.55 0.00 0.00 175.29 175.88 2cri s ASN 41 N -3.10 3.87 0.19 6.67 2.47 -1.08 -1.88 114.94 122.08 2cri s ASN 41 Ca 0.53 -1.67 -0.05 0.00 0.42 0.00 0.00 52.86 52.09 2cri s ASN 41 Cb -0.10 -0.76 0.12 0.00 -1.45 0.00 0.00 41.25 39.05 2cri s ASN 41 CO 0.31 -0.41 1.54 1.55 -3.72 0.00 0.00 177.10 176.37 2cri h PRO 42 N 8.01 0.70 -6.67 0.43 0.13 -1.90 -2.35 132.00 130.35 2cri h PRO 42 Ca -0.13 -0.37 -0.39 0.00 -0.87 0.00 0.00 66.00 64.24 2cri h PRO 42 Cb 1.01 0.01 0.21 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 42 CO 0.46 0.98 -0.59 -1.13 -0.23 0.00 0.00 178.00 177.48 2cri n SER 43 N -4.03 -2.68 -1.66 1.44 3.41 -1.26 -4.69 113.62 104.15 2cri n SER 43 Ca -0.02 -0.31 -0.17 0.00 -0.26 0.00 0.00 58.87 58.11 2cri n SER 43 Cb 0.53 -0.98 0.09 0.00 -0.26 0.00 0.00 64.21 63.59 2cri n SER 43 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2cri n ASP 44 N -2.86 4.23 -3.64 4.04 9.92 -1.26 -3.45 116.55 123.52 2cri n ASP 44 Ca 0.04 -3.79 -0.15 0.00 -0.53 0.00 0.00 54.79 50.35 2cri n ASP 44 Cb 0.55 -0.48 -0.07 0.00 -0.64 0.00 0.00 41.12 40.48 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cri s ARG 45 N -3.51 0.87 0.38 -1.24 1.70 -1.26 -4.90 118.95 111.00 2cri s ARG 45 Ca 0.49 -0.02 -0.28 0.00 -0.47 0.00 0.00 55.73 55.46 2cri s ARG 45 Cb 0.41 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 35.08 2cri s ARG 45 CO 0.01 -0.26 1.44 1.63 -1.08 0.00 0.00 175.30 177.03 2cri n LYS 46 N 1.03 2.50 -4.15 3.89 5.02 -1.26 -4.44 118.16 120.75 2cri n LYS 46 Ca -0.20 0.88 -0.19 0.00 -2.02 0.00 0.00 58.31 56.78 2cri n LYS 46 Cb 0.57 -2.60 -0.16 0.00 -0.02 0.00 0.00 35.03 32.82 2cri n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cri s VAL 47 N -1.13 0.47 -0.02 -0.18 1.01 -1.20 -0.92 120.40 118.43 2cri s VAL 47 Ca 0.55 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 2cri s VAL 47 Cb -0.49 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2cri s VAL 47 CO 0.63 0.19 0.67 0.00 0.00 0.00 0.00 175.10 176.59 2cri s PHE 49 N 0.25 1.33 -0.07 0.00 -0.71 -0.89 -1.34 117.98 116.55 2cri s PHE 49 Ca 0.35 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 55.88 2cri s PHE 49 Cb -0.18 -0.78 0.01 0.00 -1.21 0.00 0.00 43.02 40.86 2cri s PHE 49 CO 0.19 0.06 -0.12 0.15 -1.34 0.00 0.00 175.22 174.16 2cri s LYS 50 N -1.31 1.67 -0.13 1.99 1.02 -0.65 -2.96 119.74 119.36 2cri s LYS 50 Ca 0.02 -0.39 -0.17 0.00 0.02 0.00 0.00 55.97 55.45 2cri s LYS 50 Cb -0.09 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2cri s LYS 50 CO 0.02 -0.00 0.41 0.08 -0.92 0.00 0.00 175.35 174.93 2cri s VAL 51 N 0.76 5.23 -0.08 3.17 1.01 -1.02 -1.29 120.40 128.18 2cri s VAL 51 Ca -0.13 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2cri s VAL 51 Cb -0.15 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2cri s VAL 51 CO 0.03 0.35 0.18 -0.54 0.00 0.00 0.00 175.10 175.11 2cri s LYS 52 N 0.56 0.10 0.03 2.72 -0.14 -0.81 -4.94 119.74 117.26 2cri s LYS 52 Ca 0.22 0.48 0.01 0.00 -1.36 0.00 0.00 55.97 55.32 2cri s LYS 52 Cb -0.14 -0.18 -0.02 0.00 -1.68 0.00 0.00 37.83 35.81 2cri s LYS 52 CO 0.08 -0.21 -0.04 -0.08 -0.76 0.00 0.00 175.35 174.34 2cri s THR 53 N 1.56 0.24 -0.73 2.17 -1.32 -1.26 -1.21 115.64 115.10 2cri s THR 53 Ca -0.05 -0.90 0.06 0.00 -1.21 0.00 0.00 61.69 59.59 2cri s THR 53 Cb -0.12 -0.36 0.06 0.00 -1.51 0.00 0.00 72.50 70.57 2cri s THR 53 CO -0.07 -0.42 1.15 0.35 -2.21 0.00 0.00 174.62 173.42 2cri n THR 54 N 1.67 1.63 -3.49 5.08 -2.24 -1.03 -3.89 114.28 112.01 2cri n THR 54 Ca -0.23 0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 61.69 2cri n THR 54 Cb 0.55 -1.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cri s ALA 55 N -3.10 3.86 0.03 6.98 0.00 -1.26 -4.91 121.76 123.36 2cri s ALA 55 Ca -0.01 -3.28 -0.21 0.00 0.00 0.00 0.00 51.96 48.47 2cri s ALA 55 Cb 0.02 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 2cri s ALA 55 CO 0.05 -2.20 1.33 -1.00 0.00 0.00 0.00 175.76 173.95 2cri h PRO 56 N 7.49 0.31 0.01 0.00 0.13 -1.80 -2.90 132.00 135.25 2cri h PRO 56 Ca 0.04 -0.17 -0.39 0.00 -0.87 0.00 0.00 66.00 64.62 2cri h PRO 56 Cb 1.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2cri h PRO 56 CO 0.74 0.71 -2.15 2.89 -0.23 0.00 0.00 178.00 179.97 2cri n ARG 57 N -4.59 0.61 -0.22 0.86 1.85 -1.26 -4.34 116.66 109.56 2cri n ARG 57 Ca -0.06 0.33 0.19 0.00 -1.00 0.00 0.00 57.85 57.31 2cri n ARG 57 Cb 0.35 -1.58 0.53 0.00 -1.05 0.00 0.00 32.46 30.71 2cri n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2cri h ARG 58 N -0.77 0.36 -5.18 2.89 3.08 -1.96 -3.38 114.38 109.41 2cri h ARG 58 Ca -0.57 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 58.79 2cri h ARG 58 Cb 1.61 -0.08 -0.30 0.00 0.08 0.00 0.00 29.97 31.28 2cri h ARG 58 CO -0.28 0.24 -0.80 0.71 -1.07 0.00 0.00 179.97 178.77 2cri s TYR 59 N -5.38 2.80 -0.28 3.04 1.51 -1.09 -1.60 117.35 116.34 2cri s TYR 59 Ca -0.08 -1.02 0.01 0.00 -1.01 0.00 0.00 57.07 54.97 2cri s TYR 59 Cb 0.22 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 40.22 2cri s TYR 59 CO 0.78 -0.47 -0.06 0.00 -1.11 0.00 0.00 175.55 174.70 2cri s VAL 61 N 1.17 3.82 -0.07 0.00 1.01 -1.26 0.34 120.40 125.41 2cri s VAL 61 Ca -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2cri s VAL 61 Cb -0.20 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.51 2cri s VAL 61 CO -0.03 0.45 0.13 -0.13 0.00 0.00 0.00 175.10 175.51 2cri s ARG 62 N 0.90 0.03 0.76 2.72 0.52 0.47 -3.01 118.95 121.34 2cri s ARG 62 Ca 0.00 0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 55.56 2cri s ARG 62 Cb -0.14 -0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.09 2cri s ARG 62 CO 0.02 -0.26 1.09 -1.25 0.02 0.00 0.00 175.30 174.92 2cri s PRO 63 N 1.89 2.33 0.00 3.54 0.04 -1.26 -1.40 135.00 140.13 2cri s PRO 63 Ca -0.01 1.20 0.26 0.00 0.04 0.00 0.00 61.00 62.49 2cri s PRO 63 Cb -0.12 -1.90 0.62 0.00 0.04 0.00 0.00 34.50 33.14 2cri s PRO 63 CO -0.05 -1.59 1.50 0.27 0.04 0.00 0.00 177.00 177.16 2cri n ASN 64 N -3.38 0.43 -3.59 6.66 6.94 -1.16 -4.79 115.26 116.37 2cri n ASN 64 Ca 0.09 -0.15 -0.09 0.00 -0.02 0.00 0.00 54.58 54.42 2cri n ASN 64 Cb 0.53 0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 38.04 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2cri s SER 65 N -2.99 -0.30 0.00 0.53 1.04 -1.26 -2.42 113.70 108.30 2cri s SER 65 Ca 0.12 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2cri s SER 65 Cb 0.18 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2cri s SER 65 CO 0.67 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2cri n GLY 66 N 0.62 -1.18 3.35 7.32 0.00 -1.16 -5.06 105.19 109.09 2cri n GLY 66 Ca -0.08 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2cri n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cri s ILE 67 N -3.00 2.29 -0.19 -0.61 1.01 -1.26 -2.10 121.20 117.34 2cri s ILE 67 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 2cri s ILE 67 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2cri s ILE 67 CO 0.00 0.58 0.06 -0.63 0.00 0.00 0.00 174.94 174.96 2cri s ILE 68 N -0.62 4.75 0.61 2.92 1.01 -1.00 -4.95 121.20 123.91 2cri s ILE 68 Ca 0.10 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 2cri s ILE 68 Cb -0.10 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2cri s ILE 68 CO -0.00 0.44 1.21 -1.81 0.00 0.00 0.00 174.94 174.78 2cri s ASP 69 N 0.52 5.07 -0.08 3.58 1.01 -1.26 -3.24 116.67 122.26 2cri s ASP 69 Ca 0.03 2.38 -0.30 0.00 0.71 0.00 0.00 52.55 55.38 2cri s ASP 69 Cb -0.13 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 2cri s ASP 69 CO 0.01 -1.68 1.51 -2.16 0.21 0.00 0.00 175.17 173.07 2cri s PRO 70 N -3.42 4.21 -0.04 8.23 0.04 -1.26 -2.82 135.00 139.94 2cri s PRO 70 Ca 0.77 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.82 2cri s PRO 70 Cb -0.30 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2cri s PRO 70 CO 0.35 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2cri n GLY 71 N 3.93 0.38 3.31 0.56 0.00 -0.88 -4.91 105.19 107.58 2cri n GLY 71 Ca 0.16 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 2cri n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 72 N -2.98 1.54 -0.03 1.61 0.01 -1.13 -4.99 113.70 107.74 2cri s SER 72 Ca 0.00 -1.64 0.03 0.00 1.31 0.00 0.00 55.95 55.65 2cri s SER 72 Cb -0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2cri s SER 72 CO 0.00 -0.96 -0.10 -0.63 0.41 0.00 0.00 173.24 171.96 2cri s ILE 73 N -3.57 0.84 -0.11 1.44 1.01 -1.26 -2.65 121.20 116.90 2cri s ILE 73 Ca 0.37 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2cri s ILE 73 Cb 0.04 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2cri s ILE 73 CO 0.21 0.26 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 2cri s VAL 74 N 0.14 3.07 -0.42 2.92 1.01 -1.05 -4.94 120.40 121.14 2cri s VAL 74 Ca -0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2cri s VAL 74 Cb -0.08 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2cri s VAL 74 CO 0.01 0.54 0.27 -0.89 0.00 0.00 0.00 175.10 175.03 2cri s THR 75 N 0.09 4.57 0.28 3.92 2.01 -1.26 -1.87 115.64 123.38 2cri s THR 75 Ca -0.06 -1.15 -0.10 0.00 0.31 0.00 0.00 61.69 60.70 2cri s THR 75 Cb -0.15 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 2cri s THR 75 CO 0.04 -0.44 0.62 -0.69 -0.69 0.00 0.00 174.62 173.47 2cri s VAL 76 N 1.52 4.88 -0.42 3.82 1.01 -0.67 -4.88 120.40 125.66 2cri s VAL 76 Ca 0.03 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 2cri s VAL 76 Cb -0.22 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2cri s VAL 76 CO 0.05 -0.21 0.40 -0.55 0.00 0.00 0.00 175.10 174.78 2cri s SER 77 N -2.62 6.17 -0.61 3.32 0.15 -0.50 -1.73 113.70 117.88 2cri s SER 77 Ca 0.48 -0.79 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 2cri s SER 77 Cb -0.11 -2.20 0.16 0.00 -1.71 0.00 0.00 66.02 62.16 2cri s SER 77 CO 0.24 -0.55 0.44 -0.69 1.20 0.00 0.00 173.24 173.88 2cri s VAL 78 N 1.97 3.92 0.42 4.45 1.01 0.46 -0.39 120.40 132.24 2cri s VAL 78 Ca 0.09 -2.71 -0.20 0.00 0.00 0.00 0.00 61.98 59.17 2cri s VAL 78 Cb -0.18 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2cri s VAL 78 CO 0.12 -0.86 0.93 -0.04 0.00 0.00 0.00 175.10 175.24 2cri s MET 79 N 0.22 4.17 -0.09 2.72 -1.94 0.15 -0.33 119.30 124.21 2cri s MET 79 Ca 0.15 1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 55.17 2cri s MET 79 Cb -0.20 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.46 2cri s MET 79 CO -0.04 -0.03 -0.05 -1.17 -0.01 0.00 0.00 175.02 173.73 2cri s LEU 80 N -3.25 0.99 0.43 -0.03 0.20 0.34 -1.12 118.68 116.24 2cri s LEU 80 Ca 0.61 -0.20 -0.25 0.00 0.69 0.00 0.00 54.13 54.97 2cri s LEU 80 Cb -0.09 -0.65 -0.08 0.00 -0.43 0.00 0.00 46.19 44.93 2cri s LEU 80 CO 0.15 -0.13 1.34 -1.10 -0.29 0.00 0.00 176.35 176.32 2cri s GLN 81 N 1.69 3.84 0.05 1.98 1.11 -0.63 -0.21 119.66 127.50 2cri s GLN 81 Ca 0.03 2.22 -0.31 0.00 0.01 0.00 0.00 55.36 57.32 2cri s GLN 81 Cb -0.13 -2.69 -0.07 0.00 -1.01 0.00 0.00 33.01 29.12 2cri s GLN 81 CO -0.06 -0.63 1.40 -1.25 0.01 0.00 0.00 175.29 174.77 2cri s PRO 82 N -2.35 4.30 -0.24 2.91 0.04 -1.25 -4.85 135.00 133.55 2cri s PRO 82 Ca 0.59 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 2cri s PRO 82 Cb -0.39 -3.43 0.07 0.00 0.04 0.00 0.00 34.50 30.79 2cri s PRO 82 CO 0.51 -0.51 0.61 -0.59 0.04 0.00 0.00 177.00 177.05 2cri s PHE 83 N 1.82 -0.90 -0.89 0.56 -0.71 -1.24 -4.96 117.98 111.67 2cri s PHE 83 Ca 0.65 1.86 -0.21 0.00 -1.04 0.00 0.00 56.93 58.18 2cri s PHE 83 Cb -0.34 0.49 -0.23 0.00 -1.21 0.00 0.00 43.02 41.73 2cri s PHE 83 CO 0.29 -0.46 2.39 -0.25 -1.34 0.00 0.00 175.22 175.85 2cri n ASP 84 N 4.13 0.20 -4.49 1.98 8.00 -1.26 -4.84 116.55 120.27 2cri n ASP 84 Ca -0.20 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 2cri n ASP 84 Cb 0.58 -1.02 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 2cri n ASP 84 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2cri s TYR 85 N 7.19 2.96 -0.20 1.24 5.04 -1.26 -5.03 117.35 127.29 2cri s TYR 85 Ca 1.20 -0.22 -0.20 0.00 -2.44 0.00 0.00 57.07 55.42 2cri s TYR 85 Cb -0.72 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 37.87 2cri s TYR 85 CO 0.41 -1.11 0.61 -0.51 -1.34 0.00 0.00 175.55 173.61 2cri s ASP 86 N 2.57 6.65 0.12 4.32 1.11 -1.26 -4.97 116.67 125.21 2cri s ASP 86 Ca 0.23 0.79 -0.13 0.00 0.18 0.00 0.00 52.55 53.62 2cri s ASP 86 Cb -0.15 -2.34 -0.06 0.00 1.07 0.00 0.00 42.92 41.44 2cri s ASP 86 CO 0.17 -0.27 1.45 1.55 1.18 0.00 0.00 175.17 179.25 2cri h PRO 87 N 7.53 0.84 -0.62 8.23 0.13 -1.96 -3.21 132.00 142.94 2cri h PRO 87 Ca -0.31 -0.44 0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2cri h PRO 87 Cb 1.14 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2cri h PRO 87 CO 0.77 1.07 0.25 -2.95 -0.23 0.00 0.00 178.00 176.91 2cri h ASN 88 N 0.62 0.27 -3.75 1.44 7.08 -2.05 -3.41 115.58 115.78 2cri h ASN 88 Ca 0.06 0.07 -0.49 0.00 -3.08 0.00 0.00 56.30 52.86 2cri h ASN 88 Cb 0.92 0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.18 2cri h ASN 88 CO 0.08 0.16 0.29 -1.61 -2.08 0.00 0.00 177.43 174.27 2cri s GLU 89 N -6.09 4.62 1.29 4.14 0.41 -1.21 -5.05 118.70 116.81 2cri s GLU 89 Ca -0.13 1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 55.53 2cri s GLU 89 Cb 0.17 -3.01 0.32 0.00 -1.78 0.00 0.00 34.13 29.83 2cri s GLU 89 CO 0.75 0.41 1.01 0.15 -0.49 0.00 0.00 175.26 177.08 2cri s LYS 90 N -1.66 -1.94 -0.04 1.61 -0.14 -1.26 -4.83 119.74 111.47 2cri s LYS 90 Ca 0.45 0.19 0.05 0.00 -1.36 0.00 0.00 55.97 55.29 2cri s LYS 90 Cb -0.21 -1.49 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 2cri s LYS 90 CO 0.26 -4.24 -0.19 -1.54 -0.76 0.00 0.00 175.35 168.89 2cri s SER 91 N -3.31 2.33 -0.91 2.83 1.04 -1.26 -5.01 113.70 109.40 2cri s SER 91 Ca 0.69 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 2cri s SER 91 Cb -0.14 -0.62 0.28 0.00 0.10 0.00 0.00 66.02 65.64 2cri s SER 91 CO 0.58 0.18 1.17 0.29 0.98 0.00 0.00 173.24 176.44 2cri n LYS 92 N 3.07 3.66 -3.62 4.02 4.01 -1.26 -5.00 118.16 123.05 2cri n LYS 92 Ca -0.18 -4.60 -0.11 0.00 -0.51 0.00 0.00 58.31 52.91 2cri n LYS 92 Cb 0.53 -2.42 -0.05 0.00 -0.51 0.00 0.00 35.03 32.58 2cri n LYS 92 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 2cri s HIS 93 N -2.58 -0.25 0.10 2.13 -3.43 -1.26 -5.04 115.29 104.95 2cri s HIS 93 Ca 0.34 0.03 -0.14 0.00 -0.80 0.00 0.00 55.06 54.49 2cri s HIS 93 Cb 0.08 0.27 0.02 0.00 -1.43 0.00 0.00 32.58 31.52 2cri s HIS 93 CO 0.05 -0.68 0.33 0.21 -2.00 0.00 0.00 174.74 172.65 2cri s LYS 94 N -3.41 0.96 -0.07 -0.38 2.20 -1.26 -4.88 119.74 112.90 2cri s LYS 94 Ca 0.00 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2cri s LYS 94 Cb 0.01 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.76 2cri s LYS 94 CO -0.09 -0.35 -0.11 0.12 -0.36 0.00 0.00 175.35 174.56 2cri s PHE 95 N -3.57 1.39 0.03 4.03 2.19 -0.70 -2.47 117.98 118.88 2cri s PHE 95 Ca 0.02 -0.54 0.05 0.00 0.33 0.00 0.00 56.93 56.79 2cri s PHE 95 Cb 0.02 -1.06 -0.02 0.00 -1.31 0.00 0.00 43.02 40.65 2cri s PHE 95 CO -0.10 -0.31 -0.15 -1.64 1.83 0.00 0.00 175.22 174.85 2cri s MET 96 N 0.87 1.05 -0.05 10.12 -1.94 -0.35 -0.27 119.30 128.72 2cri s MET 96 Ca -0.11 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 2cri s MET 96 Cb -0.15 -1.06 0.02 0.00 2.01 0.00 0.00 34.83 35.65 2cri s MET 96 CO 0.01 0.27 -0.07 0.08 -0.01 0.00 0.00 175.02 175.30 2cri s VAL 97 N -0.72 0.73 0.07 -6.03 1.01 -0.74 -1.93 120.40 112.79 2cri s VAL 97 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2cri s VAL 97 Cb -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2cri s VAL 97 CO 0.01 0.27 0.23 -1.58 0.00 0.00 0.00 175.10 174.03 2cri s GLN 98 N 0.81 3.46 -0.17 2.72 2.00 -0.41 -0.82 119.66 127.24 2cri s GLN 98 Ca -0.13 -0.39 -0.14 0.00 -2.00 0.00 0.00 55.36 52.71 2cri s GLN 98 Cb -0.15 -3.02 0.05 0.00 0.80 0.00 0.00 33.01 30.70 2cri s GLN 98 CO 0.01 0.59 0.45 0.95 -0.50 0.00 0.00 175.29 176.80 2cri s THR 99 N -1.52 -0.01 -0.27 -0.34 -4.23 -0.99 -1.63 115.64 106.64 2cri s THR 99 Ca 0.36 0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.71 2cri s THR 99 Cb -0.13 -0.64 0.08 0.00 1.34 0.00 0.00 72.50 73.15 2cri s THR 99 CO 0.27 0.01 0.69 -0.51 -0.54 0.00 0.00 174.62 174.54 2cri s ILE 100 N 0.65 -0.00 0.31 2.99 2.07 -0.45 -2.98 121.20 123.79 2cri s ILE 100 Ca -0.03 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.95 2cri s ILE 100 Cb -0.05 -0.99 -0.14 0.00 0.13 0.00 0.00 42.46 41.41 2cri s ILE 100 CO -0.04 0.00 0.73 0.49 -1.91 0.00 0.00 174.94 174.21 2cri n PHE 101 N 3.83 0.24 -3.75 3.50 3.72 -1.26 -1.25 117.46 122.49 2cri n PHE 101 Ca -0.18 0.74 -0.37 0.00 -0.05 0.00 0.00 57.45 57.59 2cri n PHE 101 Cb 0.58 -2.09 -0.07 0.00 -0.94 0.00 0.00 39.48 36.96 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri s ALA 102 N -1.18 3.78 0.72 4.37 0.00 -0.10 -4.67 121.76 124.69 2cri s ALA 102 Ca 0.61 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 2cri s ALA 102 Cb -0.73 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2cri s ALA 102 CO 0.58 0.44 1.10 -1.25 0.00 0.00 0.00 175.76 176.64 2cri s PRO 103 N -0.58 2.51 0.53 0.00 0.04 -1.26 -4.76 135.00 131.48 2cri s PRO 103 Ca 0.15 1.27 0.31 0.00 0.04 0.00 0.00 61.00 62.77 2cri s PRO 103 Cb -0.13 -1.92 1.30 0.00 0.04 0.00 0.00 34.50 33.80 2cri s PRO 103 CO 0.04 -1.46 1.97 -1.00 0.04 0.00 0.00 177.00 176.59 2cri h PRO 104 N -0.60 0.00 -0.49 0.56 0.13 -1.98 -2.51 132.00 127.11 2cri h PRO 104 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2cri h PRO 104 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2cri h PRO 104 CO 0.53 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 2cri n ASN 105 N -3.20 3.46 -4.60 1.44 3.02 -1.26 -5.01 115.26 109.11 2cri n ASN 105 Ca 0.00 -1.96 -0.61 0.00 -0.03 0.00 0.00 54.58 51.98 2cri n ASN 105 Cb 0.32 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cri n ILE 106 N 1.32 0.02 0.04 2.41 3.06 -0.95 -4.83 119.36 120.42 2cri n ILE 106 Ca 0.19 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 2cri n ILE 106 Cb 0.56 -0.29 0.00 0.00 0.54 0.00 0.00 39.64 40.45 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2cri n SER 107 N 2.57 0.16 -4.32 9.51 7.64 -1.26 -5.04 113.62 122.87 2cri n SER 107 Ca 0.24 0.12 -0.36 0.00 1.01 0.00 0.00 58.87 59.87 2cri n SER 107 Cb 0.05 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 108 N -5.17 4.91 0.10 6.43 1.01 -1.26 -5.00 116.67 117.68 2cri s ASP 108 Ca 0.00 -0.69 -0.30 0.00 0.71 0.00 0.00 52.55 52.27 2cri s ASP 108 Cb 0.00 -1.83 -0.12 0.00 1.01 0.00 0.00 42.92 41.98 2cri s ASP 108 CO 0.00 -0.16 1.62 0.24 0.21 0.00 0.00 175.17 177.08 2cri h MET 109 N 8.18 -0.64 -0.73 8.23 2.86 -2.00 -1.28 114.93 129.54 2cri h MET 109 Ca -0.33 0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.55 2cri h MET 109 Cb 1.13 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.90 2cri h MET 109 CO 0.60 -0.43 0.51 1.05 1.06 0.00 0.00 176.91 179.70 2cri h GLU 110 N -0.67 0.12 -0.20 1.72 4.11 -2.00 -0.49 114.58 117.19 2cri h GLU 110 Ca -0.01 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 2cri h GLU 110 Cb 0.62 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2cri h GLU 110 CO -0.09 0.08 -0.17 0.00 0.07 0.00 0.00 179.01 178.90 2cri h ALA 111 N 1.65 0.29 0.50 1.06 0.00 -1.70 -1.89 119.26 119.16 2cri h ALA 111 Ca 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2cri h ALA 111 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cri h ALA 111 CO -0.05 0.19 -0.36 0.28 0.00 0.00 0.00 179.25 179.32 2cri h VAL 112 N 0.14 0.27 -0.85 0.00 2.07 -0.05 0.40 116.25 118.23 2cri h VAL 112 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 2cri h VAL 112 Cb 0.70 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2cri h VAL 112 CO 0.04 0.00 0.55 -0.50 0.02 0.00 0.00 177.57 177.69 2cri h TRP 113 N -0.83 0.97 0.52 1.57 4.06 -1.52 0.12 115.95 120.85 2cri h TRP 113 Ca -0.05 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2cri h TRP 113 Cb 0.70 -0.32 0.01 0.00 -1.00 0.00 0.00 29.16 28.54 2cri h TRP 113 CO -0.14 0.53 -0.25 0.87 -3.56 0.00 0.00 178.44 175.89 2cri h LYS 114 N 0.97 -0.67 -0.77 0.49 1.57 -0.95 -3.06 116.57 114.16 2cri h LYS 114 Ca 0.36 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2cri h LYS 114 Cb 0.16 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2cri h LYS 114 CO -0.12 -0.39 0.44 0.93 -0.57 0.00 0.00 179.45 179.73 2cri h GLU 115 N -0.83 1.06 -6.56 3.15 5.08 -0.64 -3.43 114.58 112.42 2cri h GLU 115 Ca -0.07 -0.11 -0.58 0.00 -1.00 0.00 0.00 59.36 57.60 2cri h GLU 115 Cb 0.59 -0.22 0.07 0.00 0.50 0.00 0.00 28.75 29.69 2cri h GLU 115 CO 0.12 0.77 0.74 0.00 -1.00 0.00 0.00 179.01 179.63 2cri n ALA 116 N -2.42 1.37 -2.43 3.43 0.00 0.40 -4.98 120.51 115.88 2cri n ALA 116 Ca 0.08 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 2cri n ALA 116 Cb 0.09 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 2cri n ALA 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cri s LYS 117 N 0.35 3.69 0.00 0.00 -0.14 -1.26 -4.93 119.74 117.44 2cri s LYS 117 Ca 0.74 0.14 0.15 0.00 -1.36 0.00 0.00 55.97 55.64 2cri s LYS 117 Cb -0.65 -2.59 0.70 0.00 -1.68 0.00 0.00 37.83 33.61 2cri s LYS 117 CO 0.43 0.17 1.42 -0.35 -0.76 0.00 0.00 175.35 176.26 2cri n PRO 118 N -0.91 0.14 0.10 -1.68 -0.04 -1.26 -1.06 135.00 130.30 2cri n PRO 118 Ca -0.01 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2cri n PRO 118 Cb 0.54 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2cri n PRO 118 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2cri h ASP 119 N 0.00 0.00 0.00 3.54 2.03 -2.02 -3.36 116.42 116.61 2cri h ASP 119 Ca 0.00 -0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 56.23 2cri h ASP 119 Cb 0.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2cri h ASP 119 CO 0.00 0.03 -1.36 -0.62 -1.03 0.00 0.00 179.24 176.25 2cri n GLU 120 N -2.58 0.56 -2.33 4.15 -0.58 -0.88 -5.00 120.64 113.98 2cri n GLU 120 Ca 0.01 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 2cri n GLU 120 Cb 0.52 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 30.18 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cri s LEU 121 N -3.65 4.40 0.16 -4.62 1.43 -0.22 -5.01 118.68 111.16 2cri s LEU 121 Ca -0.03 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.22 2cri s LEU 121 Cb 0.04 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 2cri s LEU 121 CO 0.31 -0.49 0.39 -0.04 0.23 0.00 0.00 176.35 176.75 2cri s MET 122 N 0.55 3.62 0.10 1.70 -1.94 -1.16 -4.91 119.30 117.26 2cri s MET 122 Ca 0.58 -0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.51 2cri s MET 122 Cb -0.33 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 2cri s MET 122 CO 0.33 0.45 -0.08 0.16 -0.01 0.00 0.00 175.02 175.86 2cri s ASP 123 N -2.49 1.28 -0.09 3.03 -4.77 -1.26 -2.36 116.67 110.01 2cri s ASP 123 Ca 0.41 -0.94 -0.02 0.00 -3.30 0.00 0.00 52.55 48.71 2cri s ASP 123 Cb -0.12 0.06 0.03 0.00 -1.09 0.00 0.00 42.92 41.80 2cri s ASP 123 CO 0.25 -0.39 0.01 -0.44 0.70 0.00 0.00 175.17 175.30 2cri s SER 124 N -2.84 1.78 -0.40 2.11 0.01 -0.00 -4.72 113.70 109.63 2cri s SER 124 Ca 0.10 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 56.94 2cri s SER 124 Cb 0.02 -0.46 0.02 0.00 0.21 0.00 0.00 66.02 65.81 2cri s SER 124 CO -0.03 -0.21 0.78 -0.54 0.41 0.00 0.00 173.24 173.65 2cri s LYS 125 N 1.96 3.59 0.01 12.44 1.02 -1.26 -1.80 119.74 135.70 2cri s LYS 125 Ca 0.04 0.11 0.09 0.00 0.02 0.00 0.00 55.97 56.23 2cri s LYS 125 Cb -0.13 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 2cri s LYS 125 CO -0.06 -0.96 -0.26 -1.17 -0.92 0.00 0.00 175.35 171.98 2cri s LEU 126 N 3.17 2.11 -0.30 3.17 0.20 0.62 -5.03 118.68 122.62 2cri s LEU 126 Ca 0.30 -0.53 -0.05 0.00 0.69 0.00 0.00 54.13 54.54 2cri s LEU 126 Cb -0.13 -1.32 0.02 0.00 -0.43 0.00 0.00 46.19 44.34 2cri s LEU 126 CO 0.19 0.29 0.05 -0.60 -0.29 0.00 0.00 176.35 176.00 2cri s ARG 127 N -0.92 2.84 0.04 1.98 6.06 -1.26 -1.73 118.95 125.96 2cri s ARG 127 Ca 0.11 -1.01 -0.30 0.00 -2.50 0.00 0.00 55.73 52.02 2cri s ARG 127 Cb -0.10 -3.31 -0.04 0.00 0.06 0.00 0.00 34.95 31.55 2cri s ARG 127 CO 0.01 -0.52 1.09 0.00 -2.50 0.00 0.00 175.30 173.37 2cri s VAL 129 N 0.98 2.86 -0.42 0.00 1.01 -0.19 -4.96 120.40 119.69 2cri s VAL 129 Ca 0.55 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2cri s VAL 129 Cb -0.25 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 33.98 2cri s VAL 129 CO 0.29 0.34 0.28 -0.36 0.00 0.00 0.00 175.10 175.65 2cri s PHE 130 N -0.93 3.29 0.32 5.22 0.40 -1.26 -1.28 117.98 123.74 2cri s PHE 130 Ca 0.15 -1.21 0.07 0.00 -0.60 0.00 0.00 56.93 55.34 2cri s PHE 130 Cb -0.11 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 2cri s PHE 130 CO 0.05 -0.78 0.28 -1.21 0.70 0.00 0.00 175.22 174.26 2cri s GLU 131 N 1.52 2.74 0.06 0.44 0.41 0.43 -4.92 118.70 119.38 2cri s GLU 131 Ca 0.03 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.34 2cri s GLU 131 Cb -0.22 -2.48 -0.03 0.00 -1.78 0.00 0.00 34.13 29.62 2cri s GLU 131 CO 0.05 0.14 -0.08 -1.64 -0.49 0.00 0.00 175.26 173.23 2cri s MET 132 N -3.97 0.63 0.00 1.61 -1.94 -1.26 -1.71 119.30 112.66 2cri s MET 132 Ca 0.40 -0.91 0.14 0.00 -1.71 0.00 0.00 55.69 53.61 2cri s MET 132 Cb -0.06 -0.31 0.86 0.00 2.01 0.00 0.00 34.83 37.33 2cri s MET 132 CO 0.26 0.04 1.28 -0.35 -0.01 0.00 0.00 175.02 176.25 2cri n PRO 133 N 1.08 0.49 -0.33 2.03 -0.04 -1.26 -3.93 135.00 133.04 2cri n PRO 133 Ca -0.20 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2cri n PRO 133 Cb 0.56 -1.46 0.20 0.00 -0.04 0.00 0.00 33.50 32.76 2cri n PRO 133 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cri n ASN 134 N -0.96 -0.23 -4.78 3.54 4.13 -1.26 -4.35 115.26 111.34 2cri n ASN 134 Ca 0.11 1.62 -0.23 0.00 1.68 0.00 0.00 54.58 57.76 2cri n ASN 134 Cb 0.05 -0.54 0.09 0.00 -1.54 0.00 0.00 39.78 37.84 2cri n ASN 134 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2cri s GLU 135 N -6.07 1.95 -0.84 3.52 0.41 -1.25 -4.92 118.70 111.50 2cri s GLU 135 Ca -0.13 -1.08 -0.21 0.00 -0.41 0.00 0.00 54.97 53.14 2cri s GLU 135 Cb 0.27 -2.40 -0.20 0.00 -1.78 0.00 0.00 34.13 30.02 2cri s GLU 135 CO 0.74 -1.21 2.35 0.09 -0.49 0.00 0.00 175.26 176.74 2cri n ASN 136 N -2.66 0.79 -4.76 -0.19 3.02 -1.26 -4.88 115.26 105.32 2cri n ASN 136 Ca 0.13 -1.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.22 2cri n ASN 136 Cb 0.60 -1.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.44 2cri n ASN 136 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2cri s ASP 137 N 7.62 7.30 0.31 6.41 2.15 -1.26 -5.06 116.67 134.14 2cri s ASP 137 Ca 1.07 2.15 0.09 0.00 0.43 0.00 0.00 52.55 56.28 2cri s ASP 137 Cb -0.40 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.54 2cri s ASP 137 CO 0.26 -0.11 -0.10 -1.59 -0.17 0.00 0.00 175.17 173.46 2cri s LYS 138 N -1.54 1.70 -0.32 4.34 -2.85 -1.26 -5.13 119.74 114.69 2cri s LYS 138 Ca 0.46 -1.86 -0.01 0.00 -1.00 0.00 0.00 55.97 53.55 2cri s LYS 138 Cb -0.29 -1.52 0.10 0.00 -2.06 0.00 0.00 37.83 34.06 2cri s LYS 138 CO 0.36 0.13 0.12 -1.17 0.10 0.00 0.00 175.35 174.90 2cri s LEU 139 N -3.54 1.78 -0.65 2.77 1.98 -1.26 -5.07 118.68 114.69 2cri s LEU 139 Ca 0.31 -1.65 -0.01 0.00 -2.89 0.00 0.00 54.13 49.89 2cri s LEU 139 Cb 0.02 -0.72 0.17 0.00 0.66 0.00 0.00 46.19 46.31 2cri s LEU 139 CO 0.15 -0.41 0.47 0.21 -1.89 0.00 0.00 176.35 174.87 2cri s ASN 140 N 1.63 5.18 0.15 3.68 3.04 -1.26 -5.06 114.94 122.30 2cri s ASN 140 Ca 0.11 -3.06 0.00 0.00 0.04 0.00 0.00 52.86 49.94 2cri s ASN 140 Cb -0.18 -1.82 -0.04 0.00 -1.54 0.00 0.00 41.25 37.67 2cri s ASN 140 CO -0.25 -0.31 0.03 -0.62 -3.04 0.00 0.00 177.10 172.91 2cri s ASP 141 N 0.29 0.74 -0.63 -4.21 2.15 -1.26 -5.11 116.67 108.65 2cri s ASP 141 Ca 0.19 -1.19 0.05 0.00 0.43 0.00 0.00 52.55 52.03 2cri s ASP 141 Cb -0.18 0.21 0.19 0.00 -0.30 0.00 0.00 42.92 42.84 2cri s ASP 141 CO -0.05 -0.65 0.53 -1.54 -0.17 0.00 0.00 175.17 173.29 2cri n SER 142 N -0.16 2.46 -2.54 -0.34 3.41 -1.26 -5.09 113.62 110.09 2cri n SER 142 Ca -0.06 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2cri n SER 142 Cb 0.63 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2cri n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cri n GLY 143 N 1.81 -0.37 3.70 5.00 0.00 -1.26 -4.99 105.19 109.08 2cri n GLY 143 Ca 0.24 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2cri n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 144 N 0.34 4.30 -1.01 1.61 0.04 -1.26 -4.92 135.00 134.11 2cri s PRO 144 Ca 0.00 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2cri s PRO 144 Cb 0.00 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2cri s PRO 144 CO 0.00 -0.50 1.86 -1.54 0.04 0.00 0.00 177.00 176.86 2cri s SER 145 N 1.49 5.40 0.12 6.66 1.04 -1.26 -4.93 113.70 122.22 2cri s SER 145 Ca 0.65 -1.13 -0.35 0.00 0.48 0.00 0.00 55.95 55.60 2cri s SER 145 Cb -0.34 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.05 2cri s SER 145 CO 0.29 -2.57 1.46 -1.54 0.98 0.00 0.00 173.24 171.86 2cri n SER 146 N 13.07 2.35 0.00 7.02 3.41 -1.26 -5.34 113.62 132.87 2cri n SER 146 Ca 0.41 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 60.12 2cri n SER 146 Cb 0.47 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49