#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri n SER 2 N 0.00 -0.13 -2.30 1.61 7.64 -1.26 -4.85 113.62 114.33 2cri n SER 2 Ca 0.00 0.92 -0.30 0.00 1.01 0.00 0.00 58.87 60.51 2cri n SER 2 Cb 0.00 -0.74 0.04 0.00 -1.01 0.00 0.00 64.21 62.50 2cri n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cri n SER 3 N 1.25 6.01 -4.65 6.43 3.41 -1.26 -5.05 113.62 119.77 2cri n SER 3 Ca 0.16 -3.77 -0.62 0.00 -0.26 0.00 0.00 58.87 54.38 2cri n SER 3 Cb 0.08 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.31 2cri n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cri n GLY 4 N -0.71 0.14 3.51 5.00 0.00 -1.26 -4.94 105.19 106.92 2cri n GLY 4 Ca 0.50 0.89 -0.25 0.00 0.00 0.00 0.00 46.02 47.16 2cri n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cri s SER 5 N 1.83 2.72 -0.05 1.61 1.04 -1.26 -5.16 113.70 114.42 2cri s SER 5 Ca 0.98 -1.63 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 2cri s SER 5 Cb -1.32 0.42 0.02 0.00 0.10 0.00 0.00 66.02 65.24 2cri s SER 5 CO 0.68 -0.88 -0.02 -0.55 0.98 0.00 0.00 173.24 173.45 2cri s SER 6 N -3.59 1.13 0.00 7.02 0.15 -1.26 -5.14 113.70 112.01 2cri s SER 6 Ca 0.25 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2cri s SER 6 Cb 0.03 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2cri s SER 6 CO 0.14 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2cri n GLY 7 N 4.50 3.99 2.98 9.45 0.00 -1.26 -5.15 105.19 119.71 2cri n GLY 7 Ca -0.18 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 2cri n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cri s MET 8 N 2.68 0.27 -0.10 1.61 -2.45 -1.26 -5.14 119.30 114.90 2cri s MET 8 Ca 0.00 0.63 0.03 0.00 -1.25 0.00 0.00 55.69 55.10 2cri s MET 8 Cb 0.00 -0.34 -0.01 0.00 1.25 0.00 0.00 34.83 35.74 2cri s MET 8 CO 0.00 -0.48 -0.21 0.00 1.05 0.00 0.00 175.02 175.38 2cri s ALA 9 N 2.49 2.29 -0.08 4.11 0.00 -1.26 -5.11 121.76 124.21 2cri s ALA 9 Ca 0.06 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 2cri s ALA 9 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2cri s ALA 9 CO -0.13 0.30 0.55 0.21 0.00 0.00 0.00 175.76 176.69 2cri s LYS 10 N 0.27 4.34 -0.29 0.00 2.47 -1.26 -5.06 119.74 120.22 2cri s LYS 10 Ca -0.15 0.61 -0.00 0.00 -1.56 0.00 0.00 55.97 54.87 2cri s LYS 10 Cb -0.17 -3.41 0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2cri s LYS 10 CO 0.07 0.21 -0.04 -3.38 0.16 0.00 0.00 175.35 172.37 2cri s HIS 11 N 0.41 3.27 -0.35 4.03 -3.43 -1.26 -4.99 115.29 112.97 2cri s HIS 11 Ca 0.30 -2.03 -0.03 0.00 -0.80 0.00 0.00 55.06 52.49 2cri s HIS 11 Cb -0.16 -2.05 0.07 0.00 -1.43 0.00 0.00 32.58 29.00 2cri s HIS 11 CO 0.14 -0.83 2.61 0.39 -2.00 0.00 0.00 174.74 175.05 2cri n GLU 12 N 4.56 2.13 -4.27 -0.38 1.02 -1.26 -4.88 120.64 117.55 2cri n GLU 12 Ca -0.13 -1.88 -0.16 0.00 -0.02 0.00 0.00 57.16 54.97 2cri n GLU 12 Cb 0.43 -1.93 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.39 1.43 -0.10 3.49 -2.07 -1.26 -4.66 119.66 115.09 2cri s GLN 13 Ca 0.49 -1.79 0.15 0.00 -1.82 0.00 0.00 55.36 52.40 2cri s GLN 13 Cb 0.32 0.07 0.54 0.00 -1.09 0.00 0.00 33.01 32.85 2cri s GLN 13 CO -0.12 -0.42 1.46 1.51 -1.32 0.00 0.00 175.29 176.39 2cri n ILE 14 N -0.44 1.73 -4.30 3.63 0.13 -1.26 -4.98 119.36 113.87 2cri n ILE 14 Ca 0.02 -1.35 -0.16 0.00 -1.10 0.00 0.00 62.75 60.16 2cri n ILE 14 Cb 0.65 0.12 -0.10 0.00 -0.84 0.00 0.00 39.64 39.47 2cri n ILE 14 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2cri s LEU 15 N -1.89 2.30 -0.29 9.51 1.43 -1.26 -4.12 118.68 124.36 2cri s LEU 15 Ca 0.40 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2cri s LEU 15 Cb 0.27 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 46.27 2cri s LEU 15 CO 0.17 -0.45 -0.06 -0.69 0.23 0.00 0.00 176.35 175.55 2cri s VAL 16 N -3.39 2.18 0.35 -1.59 1.01 -1.09 -4.99 120.40 112.87 2cri s VAL 16 Ca 0.24 -1.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.16 2cri s VAL 16 Cb 0.05 -2.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 2cri s VAL 16 CO 0.06 -0.22 0.87 -0.76 0.00 0.00 0.00 175.10 175.05 2cri s LEU 17 N 1.05 4.14 -0.06 3.92 1.02 -1.26 -1.28 118.68 126.20 2cri s LEU 17 Ca -0.02 1.61 -0.02 0.00 0.02 0.00 0.00 54.13 55.71 2cri s LEU 17 Cb -0.20 -4.16 0.04 0.00 0.02 0.00 0.00 46.19 41.89 2cri s LEU 17 CO -0.06 -0.19 0.08 -0.62 0.02 0.00 0.00 176.35 175.58 2cri s ASP 18 N -1.96 1.16 0.25 2.29 -1.08 -0.22 -0.68 116.67 116.43 2cri s ASP 18 Ca 0.54 0.07 -0.30 0.00 -0.52 0.00 0.00 52.55 52.35 2cri s ASP 18 Cb -0.13 -0.07 -0.09 0.00 -1.46 0.00 0.00 42.92 41.17 2cri s ASP 18 CO 0.18 -0.26 1.27 -2.16 0.52 0.00 0.00 175.17 174.73 2cri s PRO 19 N 2.19 4.42 0.29 4.34 0.04 -1.26 -1.61 135.00 143.41 2cri s PRO 19 Ca 0.04 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.21 2cri s PRO 19 Cb -0.12 -3.16 0.43 0.00 0.04 0.00 0.00 34.50 31.68 2cri s PRO 19 CO -0.04 -0.16 1.68 -1.00 0.04 0.00 0.00 177.00 177.52 2cri h PRO 20 N 4.60 0.19 0.00 0.56 0.13 -1.29 -3.36 132.00 132.83 2cri h PRO 20 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.72 0.62 0.00 0.43 -0.23 0.00 0.00 178.00 179.55 2cri n SER 21 N -3.98 0.00 -3.88 1.44 7.64 -1.26 -4.94 113.62 108.63 2cri n SER 21 Ca -0.02 0.41 -0.11 0.00 1.01 0.00 0.00 58.87 60.16 2cri n SER 21 Cb 0.51 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.00 0.04 -0.30 6.43 1.47 -1.26 -4.42 116.67 116.63 2cri s ASP 22 Ca 0.00 -0.21 -0.18 0.00 1.18 0.00 0.00 52.55 53.34 2cri s ASP 22 Cb 0.00 0.20 -0.02 0.00 -0.34 0.00 0.00 42.92 42.76 2cri s ASP 22 CO 0.00 -0.33 0.52 -0.22 0.68 0.00 0.00 175.17 175.82 2cri s LEU 23 N -1.25 4.17 0.16 2.11 2.96 -1.05 -4.57 118.68 121.21 2cri s LEU 23 Ca -0.13 0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 2cri s LEU 23 Cb -0.07 -2.64 -0.06 0.00 0.50 0.00 0.00 46.19 43.92 2cri s LEU 23 CO 0.01 -0.38 0.46 -0.54 -1.32 0.00 0.00 176.35 174.57 2cri s LYS 24 N 2.37 3.75 -0.11 1.98 1.02 -1.26 -0.35 119.74 127.14 2cri s LYS 24 Ca 0.20 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.38 2cri s LYS 24 Cb -0.15 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 2cri s LYS 24 CO 0.11 0.44 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.72 2cri s PHE 25 N -1.63 2.33 -0.28 3.18 0.40 0.12 -4.91 117.98 117.19 2cri s PHE 25 Ca 0.41 -1.06 -0.18 0.00 -0.60 0.00 0.00 56.93 55.50 2cri s PHE 25 Cb -0.12 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2cri s PHE 25 CO 0.21 -0.48 0.54 0.21 0.70 0.00 0.00 175.22 176.40 2cri s LYS 26 N 0.69 3.99 0.00 0.44 2.20 -1.26 0.10 119.74 125.91 2cri s LYS 26 Ca -0.12 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2cri s LYS 26 Cb -0.16 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2cri s LYS 26 CO 0.02 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 2cri n GLY 27 N 4.45 -3.22 3.60 5.54 0.00 -0.17 -4.76 105.19 110.62 2cri n GLY 27 Ca -0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 -1.08 -0.12 1.61 0.04 -1.26 -4.53 135.00 129.66 2cri s PRO 28 Ca 0.00 -0.01 0.18 0.00 0.04 0.00 0.00 61.00 61.20 2cri s PRO 28 Cb 0.00 -1.61 0.69 0.00 0.04 0.00 0.00 34.50 33.62 2cri s PRO 28 CO 0.00 -3.63 1.60 1.19 0.04 0.00 0.00 177.00 176.20 2cri n PHE 29 N -4.71 1.42 0.08 0.56 3.72 -1.26 -4.37 117.46 112.89 2cri n PHE 29 Ca 0.12 -0.63 -0.23 0.00 -0.05 0.00 0.00 57.45 56.66 2cri n PHE 29 Cb 0.59 -0.25 -0.15 0.00 -0.94 0.00 0.00 39.48 38.73 2cri n PHE 29 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2cri h THR 30 N 3.80 1.14 -5.34 4.37 1.35 -1.92 -2.77 112.91 113.53 2cri h THR 30 Ca 0.00 -2.55 -0.62 0.00 -0.55 0.00 0.00 66.41 62.69 2cri h THR 30 Cb 1.44 2.90 -0.10 0.00 -1.73 0.00 0.00 68.15 70.66 2cri h THR 30 CO 0.23 0.79 -0.40 -0.67 -0.25 0.00 0.00 175.52 175.22 2cri n ASP 31 N -3.77 3.16 -4.72 5.36 2.03 -1.26 -4.63 116.55 112.71 2cri n ASP 31 Ca -0.21 -3.08 -0.42 0.00 0.52 0.00 0.00 54.79 51.60 2cri n ASP 31 Cb 1.01 0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 41.60 2cri n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2cri s VAL 32 N -2.77 2.66 0.10 5.18 1.01 -1.26 -3.61 120.40 121.71 2cri s VAL 32 Ca 0.11 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2cri s VAL 32 Cb -0.01 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2cri s VAL 32 CO 0.07 0.04 0.21 -0.69 0.00 0.00 0.00 175.10 174.73 2cri s VAL 33 N 1.01 5.17 -0.10 2.92 1.01 0.48 -4.91 120.40 125.98 2cri s VAL 33 Ca 0.69 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2cri s VAL 33 Cb -0.43 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2cri s VAL 33 CO 0.32 0.05 -0.19 -0.89 0.00 0.00 0.00 175.10 174.39 2cri s THR 34 N -1.58 1.73 -0.08 3.92 2.01 -1.26 -0.13 115.64 120.25 2cri s THR 34 Ca 0.34 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2cri s THR 34 Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2cri s THR 34 CO 0.27 0.49 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.73 2cri s THR 35 N 0.60 0.82 -0.25 -0.82 2.01 0.45 -4.82 115.64 113.62 2cri s THR 35 Ca -0.14 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 2cri s THR 35 Cb -0.17 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2cri s THR 35 CO 0.04 0.31 0.52 0.54 -0.69 0.00 0.00 174.62 175.35 2cri s ASN 36 N 1.35 6.45 -0.36 3.53 2.20 -1.26 -0.19 114.94 126.66 2cri s ASN 36 Ca -0.03 0.54 -0.10 0.00 -0.94 0.00 0.00 52.86 52.34 2cri s ASN 36 Cb -0.14 -2.28 0.03 0.00 -2.00 0.00 0.00 41.25 36.86 2cri s ASN 36 CO -0.03 -0.28 0.17 -0.22 -2.94 0.00 0.00 177.10 173.80 2cri s LEU 37 N 2.25 4.54 0.36 3.54 0.20 -0.44 -4.87 118.68 124.26 2cri s LEU 37 Ca 0.22 -0.99 -0.25 0.00 0.69 0.00 0.00 54.13 53.80 2cri s LEU 37 Cb -0.16 -1.98 -0.10 0.00 -0.43 0.00 0.00 46.19 43.53 2cri s LEU 37 CO 0.09 -0.35 0.99 -0.54 -0.29 0.00 0.00 176.35 176.25 2cri s LYS 38 N 1.52 4.41 -0.23 1.98 1.02 -0.63 -1.96 119.74 125.84 2cri s LYS 38 Ca 0.01 1.40 -0.04 0.00 0.02 0.00 0.00 55.97 57.37 2cri s LYS 38 Cb -0.19 -2.68 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 2cri s LYS 38 CO 0.05 0.10 0.18 -0.51 -0.92 0.00 0.00 175.35 174.26 2cri s LEU 39 N -2.33 0.13 0.55 3.17 1.43 -0.41 -1.06 118.68 120.16 2cri s LEU 39 Ca 0.54 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 2cri s LEU 39 Cb -0.20 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 2cri s LEU 39 CO 0.25 -0.37 0.87 -1.58 0.23 0.00 0.00 176.35 175.75 2cri s GLN 40 N 2.23 3.30 -0.33 1.70 0.74 -0.41 -1.56 119.66 125.33 2cri s GLN 40 Ca 0.07 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.70 2cri s GLN 40 Cb -0.16 -2.28 0.10 0.00 1.10 0.00 0.00 33.01 31.77 2cri s GLN 40 CO -0.21 -0.46 0.10 1.21 -0.55 0.00 0.00 175.29 175.37 2cri s ASN 41 N -4.20 4.18 0.13 6.67 3.84 -0.06 -2.67 114.94 122.84 2cri s ASN 41 Ca 0.51 -1.89 -0.12 0.00 0.21 0.00 0.00 52.86 51.58 2cri s ASN 41 Cb -0.10 -1.08 -0.05 0.00 -0.55 0.00 0.00 41.25 39.46 2cri s ASN 41 CO 0.46 -0.39 1.47 1.55 -2.79 0.00 0.00 177.10 177.40 2cri h PRO 42 N 7.81 0.90 -7.22 0.43 0.13 -1.89 -0.51 132.00 131.65 2cri h PRO 42 Ca -0.10 -0.48 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 2cri h PRO 42 Cb 1.01 0.02 0.19 0.00 0.13 0.00 0.00 31.00 32.34 2cri h PRO 42 CO 0.49 1.13 0.31 -1.54 -0.23 0.00 0.00 178.00 178.16 2cri s SER 43 N -6.79 3.42 -0.56 1.44 1.04 -1.26 -4.65 113.70 106.35 2cri s SER 43 Ca -0.11 2.33 -0.00 0.00 0.48 0.00 0.00 55.95 58.64 2cri s SER 43 Cb 0.11 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 64.13 2cri s SER 43 CO 0.87 -2.78 1.98 -0.90 0.98 0.00 0.00 173.24 173.39 2cri n ASP 44 N -3.53 6.31 -3.67 7.02 5.75 -1.26 -2.88 116.55 124.30 2cri n ASP 44 Ca 0.13 -3.63 -0.14 0.00 -0.01 0.00 0.00 54.79 51.15 2cri n ASP 44 Cb 0.51 -0.93 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cri s ARG 45 N -3.39 0.70 0.09 0.11 1.70 -1.26 -4.89 118.95 112.00 2cri s ARG 45 Ca 0.58 0.82 -0.36 0.00 -0.47 0.00 0.00 55.73 56.30 2cri s ARG 45 Cb 0.46 0.34 -0.18 0.00 -0.57 0.00 0.00 34.95 35.00 2cri s ARG 45 CO 0.03 -0.09 0.98 1.63 -1.08 0.00 0.00 175.30 176.77 2cri n LYS 46 N 2.73 0.32 -4.56 3.89 5.02 -1.26 -4.55 118.16 119.74 2cri n LYS 46 Ca -0.14 0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 2cri n LYS 46 Cb 0.56 -1.51 -0.17 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.23 1.35 0.61 -0.18 1.01 -1.13 -0.91 120.40 120.92 2cri s VAL 47 Ca 0.81 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2cri s VAL 47 Cb -1.09 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2cri s VAL 47 CO 0.55 0.41 1.02 0.00 0.00 0.00 0.00 175.10 177.08 2cri s PHE 49 N -3.09 -0.70 -0.22 0.00 -0.71 -0.83 -1.80 117.98 110.62 2cri s PHE 49 Ca 0.56 1.58 0.02 0.00 -1.04 0.00 0.00 56.93 58.04 2cri s PHE 49 Cb -0.11 0.31 0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2cri s PHE 49 CO 0.51 -0.35 -0.13 0.15 -1.34 0.00 0.00 175.22 174.06 2cri s LYS 50 N 0.81 2.33 -0.41 1.99 -0.14 -0.13 -2.46 119.74 121.74 2cri s LYS 50 Ca -0.04 -1.04 -0.27 0.00 -1.36 0.00 0.00 55.97 53.26 2cri s LYS 50 Cb -0.05 -2.64 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 2cri s LYS 50 CO -0.06 -0.43 0.98 0.08 -0.76 0.00 0.00 175.35 175.15 2cri s VAL 51 N 1.26 4.47 -0.06 3.17 1.01 -0.21 -2.02 120.40 128.02 2cri s VAL 51 Ca -0.03 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 2cri s VAL 51 Cb -0.17 -4.42 0.04 0.00 0.00 0.00 0.00 36.38 31.83 2cri s VAL 51 CO -0.08 -0.70 0.13 -1.59 0.00 0.00 0.00 175.10 172.85 2cri s LYS 52 N 3.76 0.07 0.22 2.72 -2.85 -1.18 -4.88 119.74 117.60 2cri s LYS 52 Ca 0.40 0.34 0.02 0.00 -1.00 0.00 0.00 55.97 55.74 2cri s LYS 52 Cb -0.10 -0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.42 2cri s LYS 52 CO 0.23 -0.17 0.05 -0.08 0.10 0.00 0.00 175.35 175.48 2cri s THR 53 N 1.17 0.66 0.62 3.79 -1.32 -1.26 -2.97 115.64 116.33 2cri s THR 53 Ca -0.09 -1.99 0.35 0.00 -1.21 0.00 0.00 61.69 58.74 2cri s THR 53 Cb -0.12 -2.38 0.38 0.00 -1.51 0.00 0.00 72.50 68.87 2cri s THR 53 CO -0.06 -0.24 2.22 0.71 -2.21 0.00 0.00 174.62 175.05 2cri h THR 54 N 2.53 0.28 -3.36 5.08 1.35 -1.92 -3.23 112.91 113.64 2cri h THR 54 Ca -0.38 0.00 -0.72 0.00 -0.55 0.00 0.00 66.41 64.76 2cri h THR 54 Cb 1.23 0.93 -0.34 0.00 -1.73 0.00 0.00 68.15 68.23 2cri h THR 54 CO 0.62 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.91 2cri s ALA 55 N -4.42 4.36 0.23 6.62 0.00 -1.26 -4.87 121.76 122.42 2cri s ALA 55 Ca -0.05 -3.85 0.00 0.00 0.00 0.00 0.00 51.96 48.06 2cri s ALA 55 Cb 0.14 -2.98 0.25 0.00 0.00 0.00 0.00 23.12 20.52 2cri s ALA 55 CO 0.47 -2.16 1.60 -1.00 0.00 0.00 0.00 175.76 174.67 2cri h PRO 56 N 6.13 0.48 0.10 0.00 0.13 -1.80 -1.10 132.00 135.95 2cri h PRO 56 Ca 0.17 -0.25 -0.31 0.00 -0.87 0.00 0.00 66.00 64.73 2cri h PRO 56 Cb 0.82 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2cri h PRO 56 CO 0.89 0.83 -1.65 0.00 -0.23 0.00 0.00 178.00 177.84 2cri h ARG 57 N 0.40 0.22 -0.37 0.86 3.08 -1.93 -3.38 114.38 113.26 2cri h ARG 57 Ca 0.03 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 2cri h ARG 57 Cb 0.92 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2cri h ARG 57 CO 0.08 1.18 0.16 0.00 -1.07 0.00 0.00 179.97 180.32 2cri h ARG 58 N -0.25 0.54 -5.20 0.04 3.08 -1.95 -3.41 114.38 107.23 2cri h ARG 58 Ca -0.37 -0.09 -0.61 0.00 0.07 0.00 0.00 59.98 58.98 2cri h ARG 58 Cb 1.82 -0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.63 2cri h ARG 58 CO 0.03 0.51 -0.52 0.71 -1.07 0.00 0.00 179.97 179.63 2cri s TYR 59 N -5.61 3.32 -0.34 3.04 1.51 -0.42 -2.92 117.35 115.93 2cri s TYR 59 Ca -0.13 0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 2cri s TYR 59 Cb 0.10 -2.17 0.10 0.00 -0.11 0.00 0.00 41.96 39.88 2cri s TYR 59 CO 0.74 0.15 0.06 0.00 -1.11 0.00 0.00 175.55 175.39 2cri s VAL 61 N 0.90 5.17 -0.16 0.00 1.01 -1.26 -1.09 120.40 124.96 2cri s VAL 61 Ca 0.11 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 2cri s VAL 61 Cb -0.19 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2cri s VAL 61 CO -0.09 0.55 0.35 -0.60 0.00 0.00 0.00 175.10 175.31 2cri s ARG 62 N -0.77 0.27 0.40 2.72 3.52 0.10 -2.68 118.95 122.50 2cri s ARG 62 Ca 0.21 0.86 -0.25 0.00 -0.13 0.00 0.00 55.73 56.42 2cri s ARG 62 Cb -0.15 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.27 2cri s ARG 62 CO 0.10 -0.24 1.19 -1.25 -0.81 0.00 0.00 175.30 174.29 2cri s PRO 63 N 2.24 4.05 0.10 5.12 0.04 -1.26 -1.38 135.00 143.91 2cri s PRO 63 Ca -0.03 1.89 0.20 0.00 0.04 0.00 0.00 61.00 63.11 2cri s PRO 63 Cb -0.11 -2.70 0.83 0.00 0.04 0.00 0.00 34.50 32.56 2cri s PRO 63 CO -0.11 -0.34 1.63 0.27 0.04 0.00 0.00 177.00 178.49 2cri n ASN 64 N 0.10 0.28 -3.58 6.66 0.23 -1.09 -4.81 115.26 113.04 2cri n ASN 64 Ca 0.04 0.56 -0.05 0.00 -0.53 0.00 0.00 54.58 54.60 2cri n ASN 64 Cb 0.46 -0.62 -0.02 0.00 -2.08 0.00 0.00 39.78 37.52 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2cri s SER 65 N -3.51 -0.17 0.00 0.53 1.04 -1.26 -1.04 113.70 109.28 2cri s SER 65 Ca 0.07 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2cri s SER 65 Cb 0.11 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2cri s SER 65 CO 0.37 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2cri n GLY 66 N -0.08 -0.57 3.06 7.32 0.00 -1.03 -5.03 105.19 108.86 2cri n GLY 66 Ca -0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.26 1.19 -0.27 -0.61 1.01 -1.26 -1.97 121.20 116.03 2cri s ILE 67 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2cri s ILE 67 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2cri s ILE 67 CO 0.00 0.36 0.16 -0.63 0.00 0.00 0.00 174.94 174.83 2cri s ILE 68 N 0.42 5.10 0.80 2.92 1.01 -0.77 -4.93 121.20 125.75 2cri s ILE 68 Ca -0.10 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 2cri s ILE 68 Cb -0.14 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2cri s ILE 68 CO 0.03 0.28 0.24 0.47 0.00 0.00 0.00 174.94 175.96 2cri n ASP 69 N 4.98 -2.35 -4.68 3.58 8.00 -1.26 -2.86 116.55 121.95 2cri n ASP 69 Ca -0.15 0.47 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 2cri n ASP 69 Cb 0.52 -1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cri s PRO 70 N -2.71 4.25 -0.77 -0.24 0.04 -1.26 -3.08 135.00 131.22 2cri s PRO 70 Ca 0.59 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 2cri s PRO 70 Cb -0.30 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2cri s PRO 70 CO 0.65 -0.65 0.66 0.41 0.04 0.00 0.00 177.00 178.11 2cri n GLY 71 N 3.76 0.10 3.37 0.56 0.00 -0.20 -4.90 105.19 107.88 2cri n GLY 71 Ca 0.14 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.17 1.99 -0.04 1.61 0.01 -1.18 -4.92 113.70 108.02 2cri s SER 72 Ca 0.33 -1.70 0.03 0.00 1.31 0.00 0.00 55.95 55.91 2cri s SER 72 Cb -0.14 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2cri s SER 72 CO 0.40 -1.00 -0.11 -0.63 0.41 0.00 0.00 173.24 172.32 2cri s ILE 73 N -3.41 0.97 -0.00 1.44 1.01 -1.26 -0.89 121.20 119.06 2cri s ILE 73 Ca 0.34 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.61 2cri s ILE 73 Cb 0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2cri s ILE 73 CO 0.21 0.30 -0.19 -0.69 0.00 0.00 0.00 174.94 174.57 2cri s VAL 74 N 0.24 2.66 -0.38 2.92 1.01 -0.60 -4.94 120.40 121.30 2cri s VAL 74 Ca -0.05 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 2cri s VAL 74 Cb -0.10 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.31 2cri s VAL 74 CO 0.01 0.48 0.18 -0.89 0.00 0.00 0.00 175.10 174.88 2cri s THR 75 N -0.78 3.68 0.10 3.92 2.01 -1.26 -1.29 115.64 122.01 2cri s THR 75 Ca 0.12 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.41 2cri s THR 75 Cb -0.10 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.06 2cri s THR 75 CO 0.02 -0.44 0.55 -0.69 -0.69 0.00 0.00 174.62 173.37 2cri s VAL 76 N 1.31 4.80 -0.40 3.82 1.01 -0.83 -4.90 120.40 125.22 2cri s VAL 76 Ca 0.02 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 2cri s VAL 76 Cb -0.22 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2cri s VAL 76 CO -0.00 0.43 0.48 -0.44 0.00 0.00 0.00 175.10 175.57 2cri s SER 77 N -1.35 6.24 -0.41 3.32 0.01 -0.48 -1.33 113.70 119.70 2cri s SER 77 Ca 0.32 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 2cri s SER 77 Cb -0.17 -2.25 0.09 0.00 0.21 0.00 0.00 66.02 63.90 2cri s SER 77 CO 0.19 -0.56 0.22 -0.69 0.41 0.00 0.00 173.24 172.80 2cri s VAL 78 N 2.29 3.73 0.24 3.43 1.01 0.73 0.03 120.40 131.86 2cri s VAL 78 Ca 0.15 -1.70 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 2cri s VAL 78 Cb -0.16 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2cri s VAL 78 CO 0.14 -0.57 0.63 -0.04 0.00 0.00 0.00 175.10 175.26 2cri s MET 79 N 1.29 3.96 -0.17 2.72 -1.94 -0.25 -0.41 119.30 124.49 2cri s MET 79 Ca 0.04 0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 54.52 2cri s MET 79 Cb -0.23 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.00 2cri s MET 79 CO -0.01 0.31 0.01 -1.17 -0.01 0.00 0.00 175.02 174.15 2cri s LEU 80 N -2.60 1.22 0.53 -0.03 1.98 0.82 -1.42 118.68 119.18 2cri s LEU 80 Ca 0.47 -0.69 -0.22 0.00 -2.89 0.00 0.00 54.13 50.80 2cri s LEU 80 Cb -0.12 -0.65 -0.05 0.00 0.66 0.00 0.00 46.19 46.03 2cri s LEU 80 CO 0.19 -0.27 1.30 -1.10 -1.89 0.00 0.00 176.35 174.59 2cri s GLN 81 N 1.82 3.24 0.22 1.98 1.11 -1.15 -0.38 119.66 126.49 2cri s GLN 81 Ca 0.00 2.09 -0.30 0.00 0.01 0.00 0.00 55.36 57.16 2cri s GLN 81 Cb -0.16 -2.25 -0.09 0.00 -1.01 0.00 0.00 33.01 29.50 2cri s GLN 81 CO -0.07 -1.07 1.29 -1.25 0.01 0.00 0.00 175.29 174.20 2cri s PRO 82 N -2.91 4.40 0.13 2.91 0.04 -1.24 -4.86 135.00 133.48 2cri s PRO 82 Ca 0.71 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.67 2cri s PRO 82 Cb -0.37 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.00 2cri s PRO 82 CO 0.43 -0.21 0.32 -0.59 0.04 0.00 0.00 177.00 176.99 2cri s PHE 83 N -0.10 0.04 -0.36 0.56 -0.12 -1.05 -4.96 117.98 112.00 2cri s PHE 83 Ca 0.55 -0.41 -0.28 0.00 -0.05 0.00 0.00 56.93 56.74 2cri s PHE 83 Cb -0.36 0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 2cri s PHE 83 CO 0.40 -0.68 2.32 -0.25 -0.05 0.00 0.00 175.22 176.96 2cri n ASP 84 N -0.18 2.73 -4.61 1.98 8.00 -1.26 -4.88 116.55 118.33 2cri n ASP 84 Ca -0.13 -0.11 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 2cri n ASP 84 Cb 0.63 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 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 10.06 2.41 -0.67 1.24 5.04 -1.26 -4.97 117.35 129.20 2cri s TYR 85 Ca 1.01 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 56.26 2cri s TYR 85 Cb -0.31 -4.17 0.17 0.00 0.35 0.00 0.00 41.96 38.01 2cri s TYR 85 CO 0.32 -2.06 0.54 -0.51 -1.34 0.00 0.00 175.55 172.50 2cri s ASP 86 N 3.81 5.89 0.06 4.32 1.01 -1.26 -4.92 116.67 125.57 2cri s ASP 86 Ca 0.62 -2.61 -0.18 0.00 0.71 0.00 0.00 52.55 51.09 2cri s ASP 86 Cb -0.16 -2.02 -0.12 0.00 1.01 0.00 0.00 42.92 41.63 2cri s ASP 86 CO 0.30 -0.51 1.37 1.55 0.21 0.00 0.00 175.17 178.09 2cri h PRO 87 N 7.59 0.47 -1.01 8.23 0.13 -2.00 -3.18 132.00 142.24 2cri h PRO 87 Ca -0.01 -0.25 0.37 0.00 -0.87 0.00 0.00 66.00 65.24 2cri h PRO 87 Cb 1.01 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.98 2cri h PRO 87 CO 0.76 0.82 0.56 -0.91 -0.23 0.00 0.00 178.00 179.00 2cri h ASN 88 N 0.14 0.42 -3.67 1.44 2.35 -2.04 -3.33 115.58 110.89 2cri h ASN 88 Ca 0.03 0.22 -0.66 0.00 -0.55 0.00 0.00 56.30 55.35 2cri h ASN 88 Cb 0.73 0.20 -0.22 0.00 0.05 0.00 0.00 38.32 39.08 2cri h ASN 88 CO 0.05 -0.28 -0.59 -0.70 -1.65 0.00 0.00 177.43 174.25 2cri s GLU 89 N -5.59 3.55 0.19 0.81 2.56 -1.20 -5.06 118.70 113.97 2cri s GLU 89 Ca -0.09 -0.56 -0.32 0.00 0.00 0.00 0.00 54.97 53.99 2cri s GLU 89 Cb 0.32 -3.44 -0.15 0.00 2.00 0.00 0.00 34.13 32.86 2cri s GLU 89 CO 0.79 -0.28 1.31 1.17 -0.56 0.00 0.00 175.26 177.69 2cri n LYS 90 N 4.96 1.61 -1.65 4.30 4.81 -1.25 -4.85 118.16 126.08 2cri n LYS 90 Ca -0.15 0.57 -0.41 0.00 -0.87 0.00 0.00 58.31 57.46 2cri n LYS 90 Cb 0.51 -2.17 0.02 0.00 0.02 0.00 0.00 35.03 33.40 2cri n LYS 90 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2cri n SER 91 N 2.21 1.75 -0.67 3.14 7.64 -1.26 -4.92 113.62 121.51 2cri n SER 91 Ca 0.14 1.04 0.05 0.00 1.01 0.00 0.00 58.87 61.11 2cri n SER 91 Cb 0.27 -1.42 0.20 0.00 -1.01 0.00 0.00 64.21 62.26 2cri n SER 91 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cri n LYS 92 N -0.02 1.84 -4.34 1.43 4.76 -1.26 -4.99 118.16 115.59 2cri n LYS 92 Ca 0.09 -2.98 -0.34 0.00 -2.87 0.00 0.00 58.31 52.21 2cri n LYS 92 Cb 0.40 -1.69 -0.13 0.00 -1.84 0.00 0.00 35.03 31.77 2cri n LYS 92 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2cri s HIS 93 N -3.06 2.97 0.09 2.13 3.76 -1.26 -5.10 115.29 114.82 2cri s HIS 93 Ca 0.39 -0.50 0.08 0.00 -0.15 0.00 0.00 55.06 54.88 2cri s HIS 93 Cb 0.35 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 2cri s HIS 93 CO 0.01 -0.19 -0.18 0.15 -0.85 0.00 0.00 174.74 173.68 2cri s LYS 94 N 0.66 1.90 -0.19 1.40 1.02 -1.26 -4.36 119.74 118.91 2cri s LYS 94 Ca -0.03 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 2cri s LYS 94 Cb -0.15 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 2cri s LYS 94 CO 0.02 0.50 -0.06 0.12 -0.92 0.00 0.00 175.35 175.02 2cri s PHE 95 N -1.07 2.94 0.11 3.18 2.19 0.23 -2.84 117.98 122.72 2cri s PHE 95 Ca 0.17 -0.76 0.10 0.00 0.33 0.00 0.00 56.93 56.77 2cri s PHE 95 Cb -0.11 -2.02 -0.04 0.00 -1.31 0.00 0.00 43.02 39.54 2cri s PHE 95 CO 0.09 -0.39 -0.27 -1.64 1.83 0.00 0.00 175.22 174.84 2cri s MET 96 N 1.05 1.50 -0.02 10.12 -1.94 -1.16 0.50 119.30 129.35 2cri s MET 96 Ca 0.01 -1.28 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 2cri s MET 96 Cb -0.15 -1.90 0.01 0.00 2.01 0.00 0.00 34.83 34.80 2cri s MET 96 CO -0.00 0.46 -0.06 0.08 -0.01 0.00 0.00 175.02 175.49 2cri s VAL 97 N -0.99 0.55 -0.08 -6.03 1.01 -0.95 -3.09 120.40 110.81 2cri s VAL 97 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2cri s VAL 97 Cb -0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2cri s VAL 97 CO 0.05 0.19 0.03 -1.58 0.00 0.00 0.00 175.10 173.79 2cri s GLN 98 N 0.33 3.06 -0.02 2.72 0.74 -0.86 -0.86 119.66 124.78 2cri s GLN 98 Ca -0.04 -0.37 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 2cri s GLN 98 Cb -0.08 -2.87 0.02 0.00 1.10 0.00 0.00 33.01 31.18 2cri s GLN 98 CO 0.00 0.71 0.03 0.95 -0.55 0.00 0.00 175.29 176.43 2cri s THR 99 N -0.95 -0.03 -0.15 -0.34 -4.23 0.37 -0.96 115.64 109.35 2cri s THR 99 Ca 0.15 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 2cri s THR 99 Cb -0.12 -0.07 0.04 0.00 1.34 0.00 0.00 72.50 73.69 2cri s THR 99 CO 0.04 0.05 0.41 -0.51 -0.54 0.00 0.00 174.62 174.07 2cri s ILE 100 N 0.61 -0.00 1.00 2.99 2.07 -0.75 -1.90 121.20 125.22 2cri s ILE 100 Ca -0.05 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.02 2cri s ILE 100 Cb -0.07 -0.57 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 2cri s ILE 100 CO -0.02 0.00 -0.38 0.49 -1.91 0.00 0.00 174.94 173.13 2cri n PHE 101 N 2.91 -2.92 -4.86 3.50 3.72 -1.26 -0.02 117.46 118.52 2cri n PHE 101 Ca -0.14 0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 2cri n PHE 101 Cb 0.57 -1.57 -0.16 0.00 -0.94 0.00 0.00 39.48 37.38 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 -2.17 2.26 0.66 4.37 0.00 -0.09 -4.24 121.76 122.55 2cri s ALA 102 Ca 0.47 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 2cri s ALA 102 Cb -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2cri s ALA 102 CO 0.73 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 176.45 2cri s PRO 103 N 0.62 2.78 -0.02 0.00 0.04 -1.26 -4.69 135.00 132.48 2cri s PRO 103 Ca -0.11 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 2cri s PRO 103 Cb -0.16 -1.95 -0.20 0.00 0.04 0.00 0.00 34.50 32.23 2cri s PRO 103 CO 0.02 -1.26 1.27 -1.00 0.04 0.00 0.00 177.00 176.07 2cri h PRO 104 N -0.03 0.03 -2.30 0.56 0.13 -2.00 -3.28 132.00 125.10 2cri h PRO 104 Ca -0.47 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 2cri h PRO 104 Cb 1.24 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 2cri h PRO 104 CO 0.54 0.51 1.26 0.09 -0.23 0.00 0.00 178.00 180.17 2cri n ASN 105 N -4.83 6.98 -4.73 1.44 3.02 -1.26 -4.94 115.26 110.94 2cri n ASN 105 Ca -0.08 -2.97 -0.40 0.00 -0.03 0.00 0.00 54.58 51.10 2cri n ASN 105 Cb 0.26 -1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.04 2cri n ASN 105 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2cri s ILE 106 N -0.75 4.78 0.06 2.41 2.07 -1.24 -4.94 121.20 123.58 2cri s ILE 106 Ca 0.61 1.74 0.00 0.00 -1.41 0.00 0.00 60.65 61.59 2cri s ILE 106 Cb 0.29 -4.17 0.00 0.00 0.13 0.00 0.00 42.46 38.71 2cri s ILE 106 CO -0.12 0.30 0.00 -1.20 -1.91 0.00 0.00 174.94 172.01 2cri n SER 107 N 3.18 0.29 -4.38 4.50 7.64 -1.26 -4.97 113.62 118.62 2cri n SER 107 Ca 0.00 0.09 -0.45 0.00 1.01 0.00 0.00 58.87 59.52 2cri n SER 107 Cb 0.50 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 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 -5.10 6.56 0.47 6.43 1.01 -1.26 -4.89 116.67 119.88 2cri s ASP 108 Ca 0.00 -2.16 0.31 0.00 0.71 0.00 0.00 52.55 51.41 2cri s ASP 108 Cb 0.00 -2.29 1.41 0.00 1.01 0.00 0.00 42.92 43.05 2cri s ASP 108 CO 0.00 -0.86 1.70 -0.03 0.21 0.00 0.00 175.17 176.19 2cri h MET 109 N 8.48 0.13 0.44 8.23 1.85 -2.01 0.78 114.93 132.83 2cri h MET 109 Ca 0.01 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 2cri h MET 109 Cb 1.05 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.05 2cri h MET 109 CO 0.96 0.09 -0.21 1.05 -0.40 0.00 0.00 176.91 178.39 2cri h GLU 110 N 0.14 -0.57 -0.45 0.39 -0.00 -2.01 -3.14 114.58 108.94 2cri h GLU 110 Ca 0.71 0.04 0.09 0.00 -0.00 0.00 0.00 59.36 60.20 2cri h GLU 110 Cb 2.37 0.13 -0.09 0.00 -0.00 0.00 0.00 28.75 31.16 2cri h GLU 110 CO -0.23 -0.28 -0.17 0.00 -0.00 0.00 0.00 179.01 178.33 2cri h ALA 111 N -0.37 0.19 -0.79 1.06 0.00 -1.28 -2.28 119.26 115.80 2cri h ALA 111 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2cri h ALA 111 Cb 0.55 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2cri h ALA 111 CO 0.10 -0.52 -0.58 0.28 0.00 0.00 0.00 179.25 178.53 2cri h VAL 112 N -0.08 0.00 -0.86 0.00 2.07 -1.44 0.37 116.25 116.31 2cri h VAL 112 Ca 0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.87 2cri h VAL 112 Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 2cri h VAL 112 CO -0.50 0.00 0.47 -0.50 0.02 0.00 0.00 177.57 177.06 2cri h TRP 113 N -0.14 0.83 0.64 1.57 4.06 -1.38 0.62 115.95 122.15 2cri h TRP 113 Ca 0.13 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.08 2cri h TRP 113 Cb 0.48 -0.24 0.01 0.00 -1.00 0.00 0.00 29.16 28.40 2cri h TRP 113 CO -0.92 0.25 -0.31 0.87 -3.56 0.00 0.00 178.44 174.78 2cri h LYS 114 N 0.71 -0.83 -0.84 0.49 6.56 0.06 -2.83 116.57 119.89 2cri h LYS 114 Ca 0.45 0.06 0.08 0.00 -1.06 0.00 0.00 60.65 60.18 2cri h LYS 114 Cb 0.56 0.19 -0.06 0.00 -0.57 0.00 0.00 32.23 32.36 2cri h LYS 114 CO -0.32 -0.54 0.55 0.93 -2.06 0.00 0.00 179.45 178.00 2cri h GLU 115 N -0.88 0.83 -6.31 3.15 5.08 -0.09 -3.43 114.58 112.93 2cri h GLU 115 Ca -0.09 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.56 2cri h GLU 115 Cb 0.67 -0.19 0.06 0.00 0.50 0.00 0.00 28.75 29.79 2cri h GLU 115 CO 0.14 0.55 0.39 0.00 -1.00 0.00 0.00 179.01 179.10 2cri n ALA 116 N -2.42 -0.81 -2.73 3.43 0.00 0.17 -4.96 120.51 113.18 2cri n ALA 116 Ca 0.13 0.49 -0.27 0.00 0.00 0.00 0.00 53.44 53.80 2cri n ALA 116 Cb 0.27 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 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 0.14 3.53 0.16 0.00 -0.14 -1.26 -4.97 119.74 117.20 2cri s LYS 117 Ca 0.80 -0.30 0.20 0.00 -1.36 0.00 0.00 55.97 55.31 2cri s LYS 117 Cb -0.90 -2.80 0.83 0.00 -1.68 0.00 0.00 37.83 33.28 2cri s LYS 117 CO 0.49 0.36 1.61 -0.35 -0.76 0.00 0.00 175.35 176.70 2cri n PRO 118 N -0.76 0.12 0.05 -1.68 -0.04 -1.26 -0.53 135.00 130.89 2cri n PRO 118 Ca -0.04 0.36 -0.06 0.00 -0.04 0.00 0.00 63.50 63.72 2cri n PRO 118 Cb 0.54 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2cri n PRO 118 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cri h ASP 119 N 0.00 0.00 0.00 3.54 5.19 -2.01 -3.34 116.42 119.79 2cri h ASP 119 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2cri h ASP 119 Cb 0.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2cri h ASP 119 CO 0.00 0.90 -1.91 -0.62 -3.12 0.00 0.00 179.24 174.49 2cri n GLU 120 N -3.22 0.66 -2.25 3.56 -0.58 -1.01 -4.95 120.64 112.86 2cri n GLU 120 Ca -0.05 -0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.13 2cri n GLU 120 Cb 0.93 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.33 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 -4.46 4.33 0.07 -4.62 1.43 0.31 -4.95 118.68 110.80 2cri s LEU 121 Ca -0.07 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 2cri s LEU 121 Cb 0.11 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2cri s LEU 121 CO 0.76 -0.68 0.41 -0.04 0.23 0.00 0.00 176.35 177.04 2cri s MET 122 N 2.06 3.79 0.26 1.70 -1.94 -0.80 -4.89 119.30 119.48 2cri s MET 122 Ca 0.63 0.23 0.03 0.00 -1.71 0.00 0.00 55.69 54.87 2cri s MET 122 Cb -0.32 -3.02 -0.05 0.00 2.01 0.00 0.00 34.83 33.45 2cri s MET 122 CO 0.27 0.57 0.03 0.16 -0.01 0.00 0.00 175.02 176.04 2cri s ASP 123 N -1.68 1.79 -0.06 3.03 -4.77 -1.26 -0.48 116.67 113.25 2cri s ASP 123 Ca 0.32 -1.29 -0.04 0.00 -3.30 0.00 0.00 52.55 48.24 2cri s ASP 123 Cb -0.14 0.03 0.02 0.00 -1.09 0.00 0.00 42.92 41.74 2cri s ASP 123 CO 0.17 -0.59 0.15 -0.94 0.70 0.00 0.00 175.17 174.66 2cri s SER 124 N -3.35 -0.14 -0.45 2.11 1.04 -0.04 -4.80 113.70 108.08 2cri s SER 124 Ca 0.32 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 2cri s SER 124 Cb 0.07 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.49 2cri s SER 124 CO 0.11 -0.08 0.41 -0.54 0.98 0.00 0.00 173.24 174.12 2cri s LYS 125 N 0.43 3.02 0.02 4.02 1.02 -1.26 -2.25 119.74 124.74 2cri s LYS 125 Ca -0.03 -1.06 0.08 0.00 0.02 0.00 0.00 55.97 54.98 2cri s LYS 125 Cb -0.04 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2cri s LYS 125 CO -0.02 -0.93 -0.25 -1.17 -0.92 0.00 0.00 175.35 172.06 2cri s LEU 126 N 1.89 2.12 -0.17 3.17 0.20 0.18 -5.03 118.68 121.05 2cri s LEU 126 Ca 0.08 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 2cri s LEU 126 Cb -0.20 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.31 2cri s LEU 126 CO 0.10 0.26 -0.03 0.00 -0.29 0.00 0.00 176.35 176.39 2cri s ARG 127 N -0.97 3.62 -0.21 1.98 1.70 -1.26 0.76 118.95 124.56 2cri s ARG 127 Ca 0.10 -0.54 -0.22 0.00 -0.47 0.00 0.00 55.73 54.61 2cri s ARG 127 Cb -0.10 -2.96 -0.02 0.00 -0.57 0.00 0.00 34.95 31.31 2cri s ARG 127 CO 0.01 0.14 0.67 0.00 -1.08 0.00 0.00 175.30 175.04 2cri s VAL 129 N 2.11 4.03 -0.55 0.00 1.01 0.52 -4.98 120.40 122.54 2cri s VAL 129 Ca 0.30 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 2cri s VAL 129 Cb -0.16 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.43 2cri s VAL 129 CO 0.10 0.41 0.90 -0.36 0.00 0.00 0.00 175.10 176.15 2cri s PHE 130 N 1.16 2.82 0.23 5.22 0.40 -1.26 0.16 117.98 126.72 2cri s PHE 130 Ca 0.03 -0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 2cri s PHE 130 Cb -0.14 -4.01 -0.03 0.00 0.51 0.00 0.00 43.02 39.34 2cri s PHE 130 CO 0.02 -1.32 0.24 -1.21 0.70 0.00 0.00 175.22 173.65 2cri s GLU 131 N 3.78 3.09 0.11 0.44 0.41 0.29 -4.89 118.70 121.92 2cri s GLU 131 Ca 0.28 -0.93 -0.03 0.00 -0.41 0.00 0.00 54.97 53.89 2cri s GLU 131 Cb -0.13 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.48 2cri s GLU 131 CO 0.18 0.42 0.30 -1.64 -0.49 0.00 0.00 175.26 174.04 2cri s MET 132 N -3.76 3.54 0.00 1.61 -1.94 -1.26 -1.00 119.30 116.48 2cri s MET 132 Ca 0.33 -0.24 0.15 0.00 -1.71 0.00 0.00 55.69 54.22 2cri s MET 132 Cb -0.09 -2.93 0.85 0.00 2.01 0.00 0.00 34.83 34.67 2cri s MET 132 CO 0.26 0.53 1.37 -0.35 -0.01 0.00 0.00 175.02 176.82 2cri n PRO 133 N 0.18 0.37 -1.47 2.03 -0.04 -1.26 -4.66 135.00 130.14 2cri n PRO 133 Ca -0.04 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 2cri n PRO 133 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 2cri n PRO 133 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cri n ASN 134 N -1.12 -0.03 -3.71 3.54 5.15 -1.26 -4.78 115.26 113.05 2cri n ASN 134 Ca 0.10 -1.20 -0.10 0.00 -0.60 0.00 0.00 54.58 52.78 2cri n ASN 134 Cb 0.08 -1.08 -0.05 0.00 -0.53 0.00 0.00 39.78 38.20 2cri n ASN 134 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2cri s GLU 135 N 7.66 1.13 -0.10 1.20 8.01 -1.26 -5.17 118.70 130.17 2cri s GLU 135 Ca 0.98 -0.81 -0.05 0.00 0.01 0.00 0.00 54.97 55.10 2cri s GLU 135 Cb -0.41 0.46 0.05 0.00 -4.31 0.00 0.00 34.13 29.93 2cri s GLU 135 CO 0.29 -0.45 0.23 1.21 0.01 0.00 0.00 175.26 176.55 2cri s ASN 136 N -2.84 0.00 -0.29 -0.19 3.84 -1.26 -5.14 114.94 109.06 2cri s ASN 136 Ca 0.06 0.49 -0.14 0.00 0.21 0.00 0.00 52.86 53.49 2cri s ASN 136 Cb 0.02 0.44 0.13 0.00 -0.55 0.00 0.00 41.25 41.28 2cri s ASN 136 CO -0.09 -0.19 0.80 1.51 -2.79 0.00 0.00 177.10 176.35 2cri s ASP 137 N 1.63 -0.85 -0.41 -4.21 1.47 -1.26 -5.13 116.67 107.92 2cri s ASP 137 Ca -0.06 1.23 -0.05 0.00 1.18 0.00 0.00 52.55 54.86 2cri s ASP 137 Cb -0.11 1.74 0.10 0.00 -0.34 0.00 0.00 42.92 44.31 2cri s ASP 137 CO -0.08 -0.18 0.22 -1.59 0.68 0.00 0.00 175.17 174.22 2cri s LYS 138 N 2.22 2.25 -0.82 2.11 -2.85 -1.26 -5.04 119.74 116.36 2cri s LYS 138 Ca -0.07 -1.68 -0.14 0.00 -1.00 0.00 0.00 55.97 53.08 2cri s LYS 138 Cb -0.07 -3.64 0.21 0.00 -2.06 0.00 0.00 37.83 32.27 2cri s LYS 138 CO -0.18 -1.02 0.76 -1.17 0.10 0.00 0.00 175.35 173.84 2cri s LEU 139 N 1.25 6.70 -1.15 2.77 2.96 -1.26 -4.49 118.68 125.45 2cri s LEU 139 Ca 0.05 -2.63 -0.07 0.00 -0.22 0.00 0.00 54.13 51.26 2cri s LEU 139 Cb -0.23 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2cri s LEU 139 CO -0.02 -0.60 0.92 -3.20 -1.32 0.00 0.00 176.35 172.13 2cri n ASN 140 N 4.10 -5.62 -3.96 3.68 2.85 -1.26 -4.99 115.26 110.06 2cri n ASN 140 Ca 0.13 -0.42 -0.30 0.00 -0.11 0.00 0.00 54.58 53.87 2cri n ASN 140 Cb 0.47 -4.25 -0.15 0.00 1.24 0.00 0.00 39.78 37.09 2cri n ASN 140 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2cri s ASP 141 N -3.20 4.51 -0.46 1.20 2.15 -1.26 -5.05 116.67 114.55 2cri s ASP 141 Ca 0.46 -2.48 0.01 0.00 0.43 0.00 0.00 52.55 50.98 2cri s ASP 141 Cb -0.20 -1.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.98 2cri s ASP 141 CO 0.57 -0.32 0.22 -0.44 -0.17 0.00 0.00 175.17 175.03 2cri s SER 142 N 0.46 4.80 0.00 -0.34 0.01 -1.26 -4.91 113.70 112.46 2cri s SER 142 Ca 0.13 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.85 2cri s SER 142 Cb -0.22 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2cri s SER 142 CO -0.06 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cri n GLY 143 N 3.80 -1.73 3.77 3.44 0.00 -1.26 -5.14 105.19 108.06 2cri n GLY 143 Ca 0.04 0.82 -0.40 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 4.37 -0.22 1.61 0.04 -1.26 -5.04 135.00 134.50 2cri s PRO 144 Ca 0.00 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2cri s PRO 144 Cb 0.00 -3.02 0.11 0.00 0.04 0.00 0.00 34.50 31.63 2cri s PRO 144 CO 0.00 -0.11 0.93 -1.54 0.04 0.00 0.00 177.00 176.32 2cri s SER 145 N -0.74 -0.50 -1.34 6.66 1.04 -1.26 -4.97 113.70 112.59 2cri s SER 145 Ca 0.49 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.70 2cri s SER 145 Cb -0.36 0.76 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2cri s SER 145 CO 0.47 -0.28 0.79 -1.54 0.98 0.00 0.00 173.24 173.66 2cri n SER 146 N 1.69 -2.10 -0.64 7.02 3.41 -1.26 -5.31 113.62 116.44 2cri n SER 146 Ca -0.13 -0.79 0.08 0.00 -0.26 0.00 0.00 58.87 57.77 2cri n SER 146 Cb 0.56 -4.13 0.07 0.00 -0.26 0.00 0.00 64.21 60.45 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49