#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 -0.39 0.35 1.61 0.01 -1.26 -5.14 113.70 108.88 2cri s SER 2 Ca 0.00 0.74 -0.28 0.00 1.31 0.00 0.00 55.95 57.72 2cri s SER 2 Cb 0.00 0.64 -0.10 0.00 0.21 0.00 0.00 66.02 66.77 2cri s SER 2 CO 0.00 -0.18 1.38 -0.55 0.41 0.00 0.00 173.24 174.29 2cri s SER 3 N 1.41 6.58 -0.70 2.44 0.15 -1.26 -4.98 113.70 117.34 2cri s SER 3 Ca -0.09 2.83 0.05 0.00 0.70 0.00 0.00 55.95 59.43 2cri s SER 3 Cb -0.09 -2.66 0.20 0.00 -1.71 0.00 0.00 66.02 61.76 2cri s SER 3 CO -0.11 -0.68 0.61 0.61 1.20 0.00 0.00 173.24 174.87 2cri n GLY 4 N 0.66 4.32 3.18 9.45 0.00 -1.26 -5.03 105.19 116.51 2cri n GLY 4 Ca 0.01 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.75 -0.36 -0.04 1.61 1.04 -1.26 -5.16 113.70 107.79 2cri s SER 5 Ca 0.30 0.75 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 2cri s SER 5 Cb 0.02 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.93 2cri s SER 5 CO -0.11 -0.19 1.22 -0.94 0.98 0.00 0.00 173.24 174.20 2cri s SER 6 N 1.48 -0.10 0.00 7.02 1.04 -1.26 -5.16 113.70 116.72 2cri s SER 6 Ca -0.08 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2cri s SER 6 Cb -0.10 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2cri s SER 6 CO -0.11 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2cri n GLY 7 N -0.39 -1.91 0.08 7.32 0.00 -1.26 -4.89 105.19 104.15 2cri n GLY 7 Ca -0.06 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.64 2cri n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cri n MET 8 N 0.00 0.64 -3.60 1.61 2.00 -1.26 -5.02 117.12 111.50 2cri n MET 8 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 57.70 57.72 2cri n MET 8 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 33.22 31.51 2cri n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cri s ALA 9 N -3.04 -2.07 -0.27 3.04 0.00 -1.26 -5.08 121.76 113.08 2cri s ALA 9 Ca -0.05 1.61 -0.13 0.00 0.00 0.00 0.00 51.96 53.39 2cri s ALA 9 Cb 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.88 2cri s ALA 9 CO 0.84 -0.56 -0.35 1.63 0.00 0.00 0.00 175.76 177.31 2cri n LYS 10 N -0.03 0.57 -4.29 0.00 4.76 -1.26 -4.97 118.16 112.94 2cri n LYS 10 Ca -0.00 0.25 -0.26 0.00 -2.87 0.00 0.00 58.31 55.43 2cri n LYS 10 Cb 0.58 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.15 2cri n LYS 10 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2cri s HIS 11 N -2.49 1.59 -0.45 2.13 -3.43 -1.26 -5.02 115.29 106.36 2cri s HIS 11 Ca -0.38 -0.71 0.03 0.00 -0.80 0.00 0.00 55.06 53.20 2cri s HIS 11 Cb 0.14 -1.22 0.45 0.00 -1.43 0.00 0.00 32.58 30.53 2cri s HIS 11 CO 0.48 -0.42 1.54 -1.91 -2.00 0.00 0.00 174.74 172.43 2cri n GLU 12 N 4.33 3.23 -3.32 -0.38 2.13 -1.26 -5.02 120.64 120.34 2cri n GLU 12 Ca -0.18 -3.81 -0.20 0.00 0.66 0.00 0.00 57.16 53.63 2cri n GLU 12 Cb 0.51 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.94 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2cri s GLN 13 N -3.70 3.07 0.08 5.31 -2.07 -1.26 -5.03 119.66 116.07 2cri s GLN 13 Ca 0.57 -0.91 -0.03 0.00 -1.82 0.00 0.00 55.36 53.16 2cri s GLN 13 Cb 0.45 -2.76 -0.27 0.00 -1.09 0.00 0.00 33.01 29.34 2cri s GLN 13 CO 0.01 -0.05 1.16 0.97 -1.32 0.00 0.00 175.29 176.06 2cri h ILE 14 N 0.75 1.53 -3.31 3.63 6.09 -1.95 -3.42 117.51 120.83 2cri h ILE 14 Ca -0.45 -3.11 -0.70 0.00 -1.37 0.00 0.00 64.86 59.23 2cri h ILE 14 Cb 1.26 2.93 -0.19 0.00 0.47 0.00 0.00 36.82 41.29 2cri h ILE 14 CO 0.53 0.91 -0.08 -0.76 -3.07 0.00 0.00 178.15 175.67 2cri s LEU 15 N -7.10 5.11 -0.44 2.19 1.43 -1.26 -4.09 118.68 114.52 2cri s LEU 15 Ca -0.03 -0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 2cri s LEU 15 Cb 0.07 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2cri s LEU 15 CO 0.88 -0.78 0.99 0.54 0.23 0.00 0.00 176.35 178.20 2cri s VAL 16 N 2.31 4.43 0.92 -1.59 0.11 -1.12 -4.95 120.40 120.51 2cri s VAL 16 Ca 0.12 0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 60.04 2cri s VAL 16 Cb -0.20 -4.46 0.14 0.00 -1.53 0.00 0.00 36.38 30.33 2cri s VAL 16 CO 0.11 -0.81 1.10 -0.76 -3.33 0.00 0.00 175.10 171.41 2cri s LEU 17 N 3.88 2.04 -0.22 2.54 1.02 -1.26 -2.22 118.68 124.45 2cri s LEU 17 Ca 0.40 1.28 -0.06 0.00 0.02 0.00 0.00 54.13 55.77 2cri s LEU 17 Cb -0.10 -3.63 0.11 0.00 0.02 0.00 0.00 46.19 42.59 2cri s LEU 17 CO 0.26 -2.71 0.44 -1.81 0.02 0.00 0.00 176.35 172.55 2cri s ASP 18 N -3.59 -0.30 0.24 2.29 1.01 0.82 -2.24 116.67 114.90 2cri s ASP 18 Ca 0.64 0.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.48 2cri s ASP 18 Cb -0.17 1.43 -0.09 0.00 1.01 0.00 0.00 42.92 45.10 2cri s ASP 18 CO 0.56 -0.25 1.28 -2.16 0.21 0.00 0.00 175.17 174.81 2cri s PRO 19 N 2.64 4.42 0.23 8.23 0.04 -1.26 -1.35 135.00 147.95 2cri s PRO 19 Ca 0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2cri s PRO 19 Cb -0.13 -3.17 0.26 0.00 0.04 0.00 0.00 34.50 31.50 2cri s PRO 19 CO -0.14 -0.18 1.60 -1.00 0.04 0.00 0.00 177.00 177.32 2cri h PRO 20 N 4.75 0.48 0.00 0.56 0.13 -1.82 -3.37 132.00 132.73 2cri h PRO 20 Ca -0.46 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.73 0.82 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 -4.93 113.62 108.59 2cri n SER 21 Ca -0.02 0.47 -0.09 0.00 1.01 0.00 0.00 58.87 60.24 2cri n SER 21 Cb 0.52 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.88 0.15 -0.39 6.43 -4.77 -1.26 -4.30 116.67 110.65 2cri s ASP 22 Ca 0.00 -0.52 -0.15 0.00 -3.30 0.00 0.00 52.55 48.57 2cri s ASP 22 Cb 0.00 0.25 0.01 0.00 -1.09 0.00 0.00 42.92 42.09 2cri s ASP 22 CO 0.00 -0.54 0.35 -0.22 0.70 0.00 0.00 175.17 175.46 2cri s LEU 23 N -2.20 4.83 0.07 2.11 2.96 -1.20 -4.57 118.68 120.68 2cri s LEU 23 Ca -0.04 -0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 53.02 2cri s LEU 23 Cb -0.00 -2.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 2cri s LEU 23 CO -0.05 -0.44 0.61 -0.54 -1.32 0.00 0.00 176.35 174.61 2cri s LYS 24 N 1.89 4.29 -0.27 1.98 1.02 -1.26 -1.12 119.74 126.27 2cri s LYS 24 Ca 0.09 0.81 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 2cri s LYS 24 Cb -0.18 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2cri s LYS 24 CO 0.12 0.58 -0.00 -0.06 -0.92 0.00 0.00 175.35 175.06 2cri s PHE 25 N -0.94 3.11 -0.21 3.18 0.40 -0.14 -4.95 117.98 118.44 2cri s PHE 25 Ca 0.31 -1.37 -0.28 0.00 -0.60 0.00 0.00 56.93 54.98 2cri s PHE 25 Cb -0.20 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.20 2cri s PHE 25 CO 0.20 -0.68 0.99 0.21 0.70 0.00 0.00 175.22 176.64 2cri s LYS 26 N 1.38 4.27 0.00 0.44 2.47 -1.26 -1.04 119.74 126.01 2cri s LYS 26 Ca 0.01 1.28 0.00 0.00 -1.56 0.00 0.00 55.97 55.69 2cri s LYS 26 Cb -0.17 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 2cri s LYS 26 CO -0.02 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.35 2cri n GLY 27 N 3.37 -3.32 3.75 5.54 0.00 -1.06 -4.87 105.19 108.59 2cri n GLY 27 Ca 0.10 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.24 1.97 -0.41 1.61 0.04 -1.26 -4.92 135.00 131.80 2cri s PRO 28 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.13 2cri s PRO 28 Cb 0.00 -1.87 0.45 0.00 0.04 0.00 0.00 34.50 33.12 2cri s PRO 28 CO 0.00 -1.81 1.82 1.19 0.04 0.00 0.00 177.00 178.24 2cri n PHE 29 N -3.63 2.41 -0.09 0.56 3.72 -1.26 -4.15 117.46 115.02 2cri n PHE 29 Ca 0.08 -1.90 -0.11 0.00 -0.05 0.00 0.00 57.45 55.47 2cri n PHE 29 Cb 0.54 -0.95 -0.12 0.00 -0.94 0.00 0.00 39.48 38.01 2cri n PHE 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2cri n THR 30 N -0.62 1.19 -4.75 4.37 -2.24 -1.26 -3.42 114.28 107.55 2cri n THR 30 Ca 0.47 -0.60 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 2cri n THR 30 Cb 1.13 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 2cri n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cri s ASP 31 N -5.54 4.11 0.11 3.42 2.15 -1.26 -4.72 116.67 114.94 2cri s ASP 31 Ca -0.18 -1.63 -0.31 0.00 0.43 0.00 0.00 52.55 50.86 2cri s ASP 31 Cb 0.06 0.45 -0.11 0.00 -0.30 0.00 0.00 42.92 43.03 2cri s ASP 31 CO 0.60 -0.82 1.85 0.52 -0.17 0.00 0.00 175.17 177.15 2cri n VAL 32 N -1.24 0.41 -3.74 1.11 0.31 -1.26 -4.24 118.33 109.68 2cri n VAL 32 Ca -0.18 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 63.70 2cri n VAL 32 Cb 0.67 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.40 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 2.91 5.35 -0.30 2.52 1.01 -0.64 -4.93 120.40 126.33 2cri s VAL 33 Ca 0.83 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 2cri s VAL 33 Cb -0.48 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2cri s VAL 33 CO 0.38 0.58 0.06 -0.89 0.00 0.00 0.00 175.10 175.23 2cri s THR 34 N -0.85 3.71 -0.20 3.92 2.01 -1.26 -0.94 115.64 122.04 2cri s THR 34 Ca 0.17 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2cri s THR 34 Cb -0.13 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2cri s THR 34 CO 0.06 0.01 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.98 2cri s THR 35 N 1.43 2.59 -0.24 -0.82 2.01 -0.19 -4.96 115.64 115.47 2cri s THR 35 Ca 0.01 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 2cri s THR 35 Cb -0.18 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2cri s THR 35 CO 0.01 0.49 0.43 0.20 -0.69 0.00 0.00 174.62 175.06 2cri s ASN 36 N 1.37 6.38 -0.34 3.53 -0.87 -1.26 -0.21 114.94 123.53 2cri s ASN 36 Ca 0.05 0.44 -0.12 0.00 -1.57 0.00 0.00 52.86 51.67 2cri s ASN 36 Cb -0.14 -2.24 -0.01 0.00 -0.02 0.00 0.00 41.25 38.85 2cri s ASN 36 CO -0.09 -0.18 0.21 -0.22 -2.57 0.00 0.00 177.10 174.26 2cri s LEU 37 N 1.87 4.45 -0.05 0.60 0.20 -0.87 -4.91 118.68 119.98 2cri s LEU 37 Ca 0.18 -0.54 -0.26 0.00 0.69 0.00 0.00 54.13 54.21 2cri s LEU 37 Cb -0.15 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2cri s LEU 37 CO 0.09 -0.25 0.81 -0.54 -0.29 0.00 0.00 176.35 176.17 2cri s LYS 38 N 1.67 4.48 -0.31 1.98 1.02 -0.46 -1.93 119.74 126.19 2cri s LYS 38 Ca 0.05 1.08 0.03 0.00 0.02 0.00 0.00 55.97 57.16 2cri s LYS 38 Cb -0.18 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.76 2cri s LYS 38 CO 0.09 0.00 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.01 2cri s LEU 39 N 0.94 4.16 0.39 3.17 1.43 -0.29 -0.13 118.68 128.35 2cri s LEU 39 Ca 0.43 -1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 51.57 2cri s LEU 39 Cb -0.19 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2cri s LEU 39 CO 0.21 -0.32 0.75 -1.58 0.23 0.00 0.00 176.35 175.64 2cri s GLN 40 N 1.01 3.76 -0.32 1.70 0.74 -0.94 -2.10 119.66 123.51 2cri s GLN 40 Ca 0.04 0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.85 2cri s GLN 40 Cb -0.19 -2.42 0.10 0.00 1.10 0.00 0.00 33.01 31.60 2cri s GLN 40 CO -0.08 -0.01 0.12 1.21 -0.55 0.00 0.00 175.29 175.99 2cri s ASN 41 N -3.16 3.81 0.32 6.67 2.47 -1.14 -2.80 114.94 121.11 2cri s ASN 41 Ca 0.50 -1.65 0.26 0.00 0.42 0.00 0.00 52.86 52.39 2cri s ASN 41 Cb -0.10 -0.71 1.08 0.00 -1.45 0.00 0.00 41.25 40.06 2cri s ASN 41 CO 0.31 -0.41 1.77 1.55 -3.72 0.00 0.00 177.10 176.61 2cri h PRO 42 N 8.01 0.00 -7.57 0.43 0.13 -1.91 -3.05 132.00 128.04 2cri h PRO 42 Ca -0.13 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.55 2cri h PRO 42 Cb 1.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.28 2cri h PRO 42 CO 0.45 0.00 0.32 -1.54 -0.23 0.00 0.00 178.00 177.00 2cri s SER 43 N -4.55 3.15 -0.26 1.44 1.04 -1.26 -4.87 113.70 108.39 2cri s SER 43 Ca 0.03 0.73 0.09 0.00 0.48 0.00 0.00 55.95 57.29 2cri s SER 43 Cb 0.09 -1.13 0.45 0.00 0.10 0.00 0.00 66.02 65.53 2cri s SER 43 CO 0.42 -2.75 1.29 0.47 0.98 0.00 0.00 173.24 173.64 2cri n ASP 44 N -3.86 2.74 -3.71 7.02 9.92 -1.26 -2.73 116.55 124.67 2cri n ASP 44 Ca 0.10 -3.85 -0.14 0.00 -0.53 0.00 0.00 54.79 50.37 2cri n ASP 44 Cb 0.60 -0.52 -0.09 0.00 -0.64 0.00 0.00 41.12 40.46 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 -3.34 0.59 0.67 -1.24 1.70 -1.26 -4.87 118.95 111.20 2cri s ARG 45 Ca 0.43 0.55 -0.18 0.00 -0.47 0.00 0.00 55.73 56.06 2cri s ARG 45 Cb 0.39 0.29 -0.14 0.00 -0.57 0.00 0.00 34.95 34.91 2cri s ARG 45 CO -0.03 -0.09 -0.29 1.63 -1.08 0.00 0.00 175.30 175.43 2cri n LYS 46 N 2.55 0.02 -3.73 3.89 5.02 -1.26 -4.56 118.16 120.10 2cri n LYS 46 Ca -0.15 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.03 2cri n LYS 46 Cb 0.57 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.99 -0.04 -0.15 -0.18 1.01 -1.10 -2.11 120.40 115.84 2cri s VAL 47 Ca 0.52 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 2cri s VAL 47 Cb -0.39 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2cri s VAL 47 CO 0.71 0.06 0.63 0.00 0.00 0.00 0.00 175.10 176.50 2cri s PHE 49 N 1.42 1.49 -0.22 0.00 -0.71 -0.65 -1.57 117.98 117.74 2cri s PHE 49 Ca 0.31 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2cri s PHE 49 Cb -0.16 -1.05 0.04 0.00 -1.21 0.00 0.00 43.02 40.64 2cri s PHE 49 CO 0.12 -0.22 -0.15 0.15 -1.34 0.00 0.00 175.22 173.79 2cri s LYS 50 N 0.39 2.55 -0.55 1.99 1.02 -0.45 -2.17 119.74 122.53 2cri s LYS 50 Ca -0.10 -1.07 -0.28 0.00 0.02 0.00 0.00 55.97 54.54 2cri s LYS 50 Cb -0.13 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2cri s LYS 50 CO 0.03 -0.40 1.34 0.08 -0.92 0.00 0.00 175.35 175.48 2cri s VAL 51 N 1.21 3.88 -0.24 3.17 1.01 -0.83 -2.59 120.40 126.01 2cri s VAL 51 Ca -0.02 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2cri s VAL 51 Cb -0.17 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 2cri s VAL 51 CO -0.09 -1.18 0.01 -0.54 0.00 0.00 0.00 175.10 173.30 2cri s LYS 52 N 5.25 3.36 -0.01 2.72 -0.14 -0.47 -4.89 119.74 125.55 2cri s LYS 52 Ca 0.50 -0.66 -0.01 0.00 -1.36 0.00 0.00 55.97 54.44 2cri s LYS 52 Cb -0.10 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2cri s LYS 52 CO 0.26 -0.26 0.04 -0.08 -0.76 0.00 0.00 175.35 174.55 2cri s THR 53 N 1.51 0.01 -0.59 2.17 -1.32 -1.26 -1.30 115.64 114.85 2cri s THR 53 Ca 0.05 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2cri s THR 53 Cb -0.15 -0.09 0.15 0.00 -1.51 0.00 0.00 72.50 70.90 2cri s THR 53 CO -0.01 -0.05 0.89 1.07 -2.21 0.00 0.00 174.62 174.32 2cri n THR 54 N 2.89 0.85 -3.13 5.08 5.66 -1.23 -4.21 114.28 120.19 2cri n THR 54 Ca -0.13 -0.31 -0.25 0.00 -3.05 0.00 0.00 64.05 60.31 2cri n THR 54 Cb 0.59 -0.60 -0.05 0.00 -1.55 0.00 0.00 70.33 68.72 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cri n ALA 55 N 0.14 3.67 -0.05 1.79 0.00 -1.26 -4.85 120.51 119.95 2cri n ALA 55 Ca 0.08 -4.27 -0.13 0.00 0.00 0.00 0.00 53.44 49.12 2cri n ALA 55 Cb 0.54 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2cri n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2cri h PRO 56 N 3.35 0.34 -0.09 0.00 0.13 -1.73 1.05 132.00 135.05 2cri h PRO 56 Ca 0.13 -0.18 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 2cri h PRO 56 Cb 0.69 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2cri h PRO 56 CO 0.71 0.73 -0.73 0.00 -0.23 0.00 0.00 178.00 178.48 2cri h ARG 57 N -0.04 0.44 0.00 0.86 3.08 -1.97 -3.36 114.38 113.40 2cri h ARG 57 Ca 0.02 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 2cri h ARG 57 Cb 0.67 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2cri h ARG 57 CO 0.03 0.99 -0.27 0.00 -1.07 0.00 0.00 179.97 179.66 2cri h ARG 58 N 0.30 0.00 -5.80 0.04 3.08 -1.94 -3.43 114.38 106.63 2cri h ARG 58 Ca -0.03 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.38 2cri h ARG 58 Cb 1.31 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 2cri h ARG 58 CO 0.13 0.37 -0.40 0.71 -1.07 0.00 0.00 179.97 179.72 2cri s TYR 59 N -1.96 3.62 -0.32 3.04 1.51 0.36 -1.56 117.35 122.04 2cri s TYR 59 Ca -0.11 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 2cri s TYR 59 Cb 0.00 -2.02 0.10 0.00 -0.11 0.00 0.00 41.96 39.93 2cri s TYR 59 CO 0.29 0.68 0.08 0.00 -1.11 0.00 0.00 175.55 175.49 2cri s VAL 61 N 1.29 5.10 -0.19 0.00 1.01 -1.26 -0.34 120.40 126.01 2cri s VAL 61 Ca 0.10 1.22 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 2cri s VAL 61 Cb -0.18 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.35 2cri s VAL 61 CO -0.17 0.27 0.42 -0.60 0.00 0.00 0.00 175.10 175.01 2cri s ARG 62 N 0.82 0.33 0.69 2.72 6.06 -0.46 -3.38 118.95 125.73 2cri s ARG 62 Ca 0.32 1.01 -0.14 0.00 -2.50 0.00 0.00 55.73 54.42 2cri s ARG 62 Cb -0.16 0.29 0.01 0.00 0.06 0.00 0.00 34.95 35.15 2cri s ARG 62 CO 0.14 -0.24 1.11 -1.25 -2.50 0.00 0.00 175.30 172.56 2cri s PRO 63 N 2.48 2.67 0.45 5.12 0.04 -1.26 0.44 135.00 144.94 2cri s PRO 63 Ca -0.03 1.34 0.22 0.00 0.04 0.00 0.00 61.00 62.57 2cri s PRO 63 Cb -0.12 -1.94 1.07 0.00 0.04 0.00 0.00 34.50 33.55 2cri s PRO 63 CO -0.13 -1.34 1.92 -2.95 0.04 0.00 0.00 177.00 174.54 2cri h ASN 64 N -0.25 0.00 -5.59 6.66 7.08 -1.94 -3.46 115.58 118.08 2cri h ASN 64 Ca -0.46 0.00 0.25 0.00 -3.08 0.00 0.00 56.30 53.01 2cri h ASN 64 Cb 1.24 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 37.40 2cri h ASN 64 CO 0.53 0.23 0.70 -0.94 -2.08 0.00 0.00 177.43 175.88 2cri s SER 65 N -6.37 -0.05 0.00 6.14 1.04 -1.26 -1.97 113.70 111.23 2cri s SER 65 Ca -0.02 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2cri s SER 65 Cb 0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2cri s SER 65 CO 0.64 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2cri n GLY 66 N -0.62 -0.53 3.27 7.32 0.00 -0.92 -5.04 105.19 108.67 2cri n GLY 66 Ca -0.04 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.28 1.82 -0.21 -0.61 1.01 -1.26 -1.64 121.20 117.03 2cri s ILE 67 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 2cri s ILE 67 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2cri s ILE 67 CO 0.00 0.40 0.05 -0.63 0.00 0.00 0.00 174.94 174.76 2cri s ILE 68 N -0.65 4.37 0.69 2.92 1.01 -0.41 -4.93 121.20 124.19 2cri s ILE 68 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 2cri s ILE 68 Cb -0.09 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2cri s ILE 68 CO 0.00 0.40 1.20 0.47 0.00 0.00 0.00 174.94 177.02 2cri n ASP 69 N 4.27 1.53 -4.68 3.58 9.92 -1.26 -2.71 116.55 127.19 2cri n ASP 69 Ca -0.16 0.76 -0.42 0.00 -0.53 0.00 0.00 54.79 54.43 2cri n ASP 69 Cb 0.52 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.46 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cri s PRO 70 N -3.45 4.26 -0.74 -0.24 0.04 -1.26 -2.92 135.00 130.68 2cri s PRO 70 Ca 0.79 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.84 2cri s PRO 70 Cb -0.36 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.54 2cri s PRO 70 CO 0.44 -0.64 0.20 0.41 0.04 0.00 0.00 177.00 177.45 2cri n GLY 71 N 3.75 0.09 3.25 0.56 0.00 -1.11 -4.89 105.19 106.84 2cri n GLY 71 Ca 0.14 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.78 0.70 -0.05 1.61 0.01 -1.15 -4.99 113.70 107.04 2cri s SER 72 Ca 0.10 -1.43 0.04 0.00 1.31 0.00 0.00 55.95 55.97 2cri s SER 72 Cb -0.04 0.32 -0.00 0.00 0.21 0.00 0.00 66.02 66.51 2cri s SER 72 CO 0.12 -0.82 -0.17 -0.63 0.41 0.00 0.00 173.24 172.15 2cri s ILE 73 N -3.94 1.48 -0.11 1.44 1.01 -1.26 -2.86 121.20 116.96 2cri s ILE 73 Ca 0.38 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2cri s ILE 73 Cb 0.07 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2cri s ILE 73 CO 0.14 0.43 -0.08 -0.69 0.00 0.00 0.00 174.94 174.74 2cri s VAL 74 N 0.17 3.58 -0.42 2.92 1.01 -0.89 -4.92 120.40 121.86 2cri s VAL 74 Ca -0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2cri s VAL 74 Cb -0.13 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.83 2cri s VAL 74 CO 0.03 0.55 0.26 -0.89 0.00 0.00 0.00 175.10 175.05 2cri s THR 75 N -0.22 4.18 0.36 3.92 2.01 -1.26 -1.14 115.64 123.49 2cri s THR 75 Ca 0.03 -1.44 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 2cri s THR 75 Cb -0.13 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 2cri s THR 75 CO 0.03 -0.52 0.79 -0.69 -0.69 0.00 0.00 174.62 173.54 2cri s VAL 76 N 1.41 4.65 -0.59 3.82 1.01 -0.81 -4.88 120.40 125.01 2cri s VAL 76 Ca 0.03 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 62.83 2cri s VAL 76 Cb -0.23 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.65 2cri s VAL 76 CO 0.02 -0.30 0.58 -0.44 0.00 0.00 0.00 175.10 174.96 2cri s SER 77 N -2.47 6.25 -0.69 3.32 0.01 0.17 -2.05 113.70 118.25 2cri s SER 77 Ca 0.55 -1.81 -0.16 0.00 1.31 0.00 0.00 55.95 55.84 2cri s SER 77 Cb -0.10 -2.23 0.16 0.00 0.21 0.00 0.00 66.02 64.06 2cri s SER 77 CO 0.20 -0.89 0.68 -0.69 0.41 0.00 0.00 173.24 172.95 2cri s VAL 78 N 1.70 5.27 0.42 3.43 1.01 0.70 -1.35 120.40 131.58 2cri s VAL 78 Ca 0.07 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.12 2cri s VAL 78 Cb -0.26 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 2cri s VAL 78 CO 0.02 -1.02 0.83 -0.04 0.00 0.00 0.00 175.10 174.90 2cri s MET 79 N 1.31 3.90 -0.07 2.72 -1.94 0.54 -1.02 119.30 124.74 2cri s MET 79 Ca 0.12 0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 54.78 2cri s MET 79 Cb -0.20 -2.32 0.03 0.00 2.01 0.00 0.00 34.83 34.35 2cri s MET 79 CO -0.02 -0.06 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.74 2cri s LEU 80 N -3.70 0.84 0.39 -0.03 0.20 -0.11 -0.08 118.68 116.19 2cri s LEU 80 Ca 0.55 -0.11 -0.27 0.00 0.69 0.00 0.00 54.13 54.99 2cri s LEU 80 Cb -0.10 -0.47 -0.09 0.00 -0.43 0.00 0.00 46.19 45.10 2cri s LEU 80 CO 0.27 -0.15 1.30 -1.10 -0.29 0.00 0.00 176.35 176.38 2cri s GLN 81 N 1.65 4.07 0.17 1.98 1.11 -0.60 -1.61 119.66 126.42 2cri s GLN 81 Ca 0.00 2.16 -0.30 0.00 0.01 0.00 0.00 55.36 57.23 2cri s GLN 81 Cb -0.13 -2.83 -0.08 0.00 -1.01 0.00 0.00 33.01 28.96 2cri s GLN 81 CO -0.04 -0.41 1.32 -1.25 0.01 0.00 0.00 175.29 174.92 2cri s PRO 82 N -2.14 4.37 0.24 2.91 0.04 -1.26 -4.89 135.00 134.27 2cri s PRO 82 Ca 0.55 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 2cri s PRO 82 Cb -0.38 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 2cri s PRO 82 CO 0.49 -0.30 0.46 -0.59 0.04 0.00 0.00 177.00 177.10 2cri s PHE 83 N 0.45 0.37 -0.32 0.56 -0.71 -1.22 -5.00 117.98 112.12 2cri s PHE 83 Ca 0.59 -0.73 -0.29 0.00 -1.04 0.00 0.00 56.93 55.47 2cri s PHE 83 Cb -0.36 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.60 2cri s PHE 83 CO 0.35 -0.96 1.67 -0.51 -1.34 0.00 0.00 175.22 174.43 2cri s ASP 84 N -3.01 6.10 0.09 1.98 1.01 -1.26 -4.70 116.67 116.87 2cri s ASP 84 Ca 0.22 1.28 -0.31 0.00 0.71 0.00 0.00 52.55 54.45 2cri s ASP 84 Cb -0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 2cri s ASP 84 CO 0.08 -1.54 1.79 -0.47 0.21 0.00 0.00 175.17 175.24 2cri s TYR 85 N 6.18 2.10 -0.53 4.23 5.04 -1.26 -4.96 117.35 128.15 2cri s TYR 85 Ca 0.74 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 2cri s TYR 85 Cb -0.21 -4.12 0.14 0.00 0.35 0.00 0.00 41.96 38.11 2cri s TYR 85 CO 0.33 -4.64 0.29 -0.51 -1.34 0.00 0.00 175.55 169.67 2cri s ASP 86 N 2.87 4.75 0.28 4.32 1.01 -1.26 -4.94 116.67 123.71 2cri s ASP 86 Ca 0.80 -2.78 0.06 0.00 0.71 0.00 0.00 52.55 51.34 2cri s ASP 86 Cb -0.43 -1.73 0.41 0.00 1.01 0.00 0.00 42.92 42.18 2cri s ASP 86 CO 0.36 -0.32 1.67 1.55 0.21 0.00 0.00 175.17 178.63 2cri h PRO 87 N 6.93 0.22 -1.01 8.23 0.13 -1.99 -3.02 132.00 141.47 2cri h PRO 87 Ca -0.06 -0.11 -0.57 0.00 -0.87 0.00 0.00 66.00 64.38 2cri h PRO 87 Cb 0.94 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.78 2cri h PRO 87 CO 0.68 0.64 0.74 0.27 -0.23 0.00 0.00 178.00 180.10 2cri n ASN 88 N -3.98 5.44 -3.94 1.44 6.94 -1.26 -4.90 115.26 115.01 2cri n ASN 88 Ca -0.02 -3.65 -0.19 0.00 -0.02 0.00 0.00 54.58 50.71 2cri n ASN 88 Cb 0.52 -0.90 -0.16 0.00 -2.36 0.00 0.00 39.78 36.88 2cri n ASN 88 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2cri s GLU 89 N -3.44 0.73 0.30 -3.83 2.56 -1.14 -5.13 118.70 108.74 2cri s GLU 89 Ca 0.59 -0.17 -0.29 0.00 0.00 0.00 0.00 54.97 55.10 2cri s GLU 89 Cb 0.48 -0.72 -0.10 0.00 2.00 0.00 0.00 34.13 35.79 2cri s GLU 89 CO 0.06 0.02 1.12 0.15 -0.56 0.00 0.00 175.26 176.05 2cri s LYS 90 N 0.44 4.56 -0.14 4.30 1.02 -1.26 -4.96 119.74 123.70 2cri s LYS 90 Ca -0.06 1.84 -0.06 0.00 0.02 0.00 0.00 55.97 57.71 2cri s LYS 90 Cb -0.10 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2cri s LYS 90 CO 0.00 0.13 0.09 -1.12 -0.92 0.00 0.00 175.35 173.53 2cri s SER 91 N -0.88 5.94 -0.26 2.83 0.01 -1.26 -5.00 113.70 115.09 2cri s SER 91 Ca 0.46 0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.95 2cri s SER 91 Cb -0.32 -1.92 -0.14 0.00 0.21 0.00 0.00 66.02 63.84 2cri s SER 91 CO 0.42 0.31 -0.28 0.29 0.41 0.00 0.00 173.24 174.39 2cri n LYS 92 N 2.60 0.60 -1.33 12.44 4.76 -1.26 -5.00 118.16 130.97 2cri n LYS 92 Ca -0.18 0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2cri n LYS 92 Cb 0.54 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2cri n LYS 92 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2cri n HIS 93 N -3.67 -1.70 -4.18 2.13 1.44 -1.26 -4.99 115.22 102.99 2cri n HIS 93 Ca -0.48 0.65 -0.11 0.00 -2.01 0.00 0.00 57.72 55.77 2cri n HIS 93 Cb 0.93 -1.83 -0.10 0.00 0.12 0.00 0.00 29.99 29.11 2cri n HIS 93 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2cri s LYS 94 N -1.09 0.99 -0.20 -1.40 2.20 -1.26 -4.87 119.74 114.10 2cri s LYS 94 Ca 0.60 -1.47 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 2cri s LYS 94 Cb -0.66 0.04 0.05 0.00 -1.51 0.00 0.00 37.83 35.74 2cri s LYS 94 CO 0.61 -0.20 -0.09 0.12 -0.36 0.00 0.00 175.35 175.44 2cri s PHE 95 N -3.89 2.33 0.07 4.03 5.36 -0.91 -3.56 117.98 121.40 2cri s PHE 95 Ca 0.23 -1.56 0.09 0.00 -0.96 0.00 0.00 56.93 54.72 2cri s PHE 95 Cb 0.07 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.13 2cri s PHE 95 CO 0.02 -0.73 -0.22 -1.64 -1.46 0.00 0.00 175.22 171.19 2cri s MET 96 N 1.42 1.84 -0.04 10.12 -1.94 -0.42 -1.21 119.30 129.07 2cri s MET 96 Ca -0.02 -1.11 -0.02 0.00 -1.71 0.00 0.00 55.69 52.84 2cri s MET 96 Cb -0.17 -2.07 0.03 0.00 2.01 0.00 0.00 34.83 34.64 2cri s MET 96 CO -0.08 0.51 0.05 0.08 -0.01 0.00 0.00 175.02 175.58 2cri s VAL 97 N -0.94 -0.08 -0.12 -6.03 1.01 -1.08 -1.37 120.40 111.79 2cri s VAL 97 Ca 0.14 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 2cri s VAL 97 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2cri s VAL 97 CO 0.05 0.17 0.09 -1.58 0.00 0.00 0.00 175.10 173.83 2cri s GLN 98 N 2.02 3.35 -0.00 2.72 0.74 -1.07 -0.47 119.66 126.95 2cri s GLN 98 Ca 0.03 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.21 2cri s GLN 98 Cb -0.12 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 30.92 2cri s GLN 98 CO -0.03 0.70 -0.03 0.95 -0.55 0.00 0.00 175.29 176.33 2cri s THR 99 N -0.83 0.22 -0.16 -0.34 -4.23 -0.35 -1.35 115.64 108.60 2cri s THR 99 Ca 0.13 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2cri s THR 99 Cb -0.12 -0.20 0.04 0.00 1.34 0.00 0.00 72.50 73.57 2cri s THR 99 CO 0.03 0.04 0.41 -0.51 -0.54 0.00 0.00 174.62 174.05 2cri s ILE 100 N -0.12 -0.01 0.40 2.99 2.07 -0.61 -3.36 121.20 122.56 2cri s ILE 100 Ca 0.00 0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.03 2cri s ILE 100 Cb -0.01 -0.58 -0.12 0.00 0.13 0.00 0.00 42.46 41.88 2cri s ILE 100 CO -0.00 0.01 0.89 0.49 -1.91 0.00 0.00 174.94 174.42 2cri n PHE 101 N 3.22 0.75 -4.36 3.50 3.72 -1.26 -1.61 117.46 121.42 2cri n PHE 101 Ca -0.16 0.60 -0.32 0.00 -0.05 0.00 0.00 57.45 57.52 2cri n PHE 101 Cb 0.57 -2.17 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 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 -1.29 3.12 0.66 4.37 0.00 -0.90 -4.71 121.76 123.02 2cri s ALA 102 Ca 0.63 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 2cri s ALA 102 Cb -0.60 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2cri s ALA 102 CO 0.57 0.63 1.11 -1.25 0.00 0.00 0.00 175.76 176.83 2cri s PRO 103 N -1.58 2.78 0.29 0.00 0.04 -1.26 -4.64 135.00 130.63 2cri s PRO 103 Ca 0.19 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2cri s PRO 103 Cb -0.11 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.92 2cri s PRO 103 CO 0.10 -1.26 1.68 -1.00 0.04 0.00 0.00 177.00 176.55 2cri h PRO 104 N -0.01 0.17 -0.76 0.56 0.13 -1.99 -2.97 132.00 127.12 2cri h PRO 104 Ca -0.47 -0.09 -0.35 0.00 -0.87 0.00 0.00 66.00 64.22 2cri h PRO 104 Cb 1.25 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 2cri h PRO 104 CO 0.54 0.61 0.37 0.09 -0.23 0.00 0.00 178.00 179.38 2cri n ASN 105 N -3.98 3.67 -4.62 1.44 3.02 -1.26 -5.02 115.26 108.52 2cri n ASN 105 Ca -0.02 -3.55 -0.56 0.00 -0.03 0.00 0.00 54.58 50.42 2cri n ASN 105 Cb 0.51 -0.76 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.91 0.08 0.02 2.41 3.06 -1.13 -4.87 119.36 118.02 2cri n ILE 106 Ca 0.48 -0.01 -0.02 0.00 -2.50 0.00 0.00 62.75 60.70 2cri n ILE 106 Cb 1.43 -0.74 -0.01 0.00 0.54 0.00 0.00 39.64 40.87 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 3.20 1.11 -4.38 9.51 7.64 -1.26 -4.99 113.62 124.45 2cri n SER 107 Ca 0.22 0.15 -0.39 0.00 1.01 0.00 0.00 58.87 59.86 2cri n SER 107 Cb 0.13 -0.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 2cri n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cri s ASP 108 N -5.82 5.51 0.08 6.43 2.15 -1.26 -4.99 116.67 118.77 2cri s ASP 108 Ca -0.05 -0.79 -0.31 0.00 0.43 0.00 0.00 52.55 51.83 2cri s ASP 108 Cb 0.01 -1.97 -0.16 0.00 -0.30 0.00 0.00 42.92 40.49 2cri s ASP 108 CO 0.08 -0.27 1.63 -0.03 -0.17 0.00 0.00 175.17 176.41 2cri h MET 109 N 8.35 -0.72 -0.32 4.34 1.85 -2.00 -2.20 114.93 124.22 2cri h MET 109 Ca -0.29 0.05 0.07 0.00 -0.61 0.00 0.00 59.70 58.92 2cri h MET 109 Cb 1.12 0.16 -0.07 0.00 0.43 0.00 0.00 31.60 33.24 2cri h MET 109 CO 0.63 -0.48 -0.16 1.05 -0.40 0.00 0.00 176.91 177.55 2cri h GLU 110 N -0.74 -0.11 -0.72 0.39 4.11 -2.01 -1.44 114.58 114.06 2cri h GLU 110 Ca -0.06 0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.54 2cri h GLU 110 Cb 0.61 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.78 2cri h GLU 110 CO 0.06 -0.07 0.17 0.00 0.07 0.00 0.00 179.01 179.23 2cri h ALA 111 N 1.12 0.92 0.27 1.06 0.00 -1.95 -1.77 119.26 118.90 2cri h ALA 111 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cri h ALA 111 Cb 0.36 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2cri h ALA 111 CO -0.39 -0.34 -0.53 0.28 0.00 0.00 0.00 179.25 178.28 2cri h VAL 112 N 0.26 0.00 -0.79 0.00 2.07 -0.62 0.14 116.25 117.31 2cri h VAL 112 Ca 0.40 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.09 2cri h VAL 112 Cb 0.68 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.34 2cri h VAL 112 CO -0.50 0.00 0.30 -0.50 0.02 0.00 0.00 177.57 176.89 2cri h TRP 113 N -0.86 0.50 0.82 1.57 4.06 -1.14 0.31 115.95 121.21 2cri h TRP 113 Ca -0.03 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 2cri h TRP 113 Cb 0.81 -0.10 0.01 0.00 -1.00 0.00 0.00 29.16 28.88 2cri h TRP 113 CO -0.38 0.00 -0.39 0.87 -3.56 0.00 0.00 178.44 174.98 2cri h LYS 114 N 0.40 -1.06 -0.84 0.49 6.56 -0.67 -2.91 116.57 118.54 2cri h LYS 114 Ca 0.45 0.07 0.11 0.00 -1.06 0.00 0.00 60.65 60.22 2cri h LYS 114 Cb 0.76 0.24 -0.06 0.00 -0.57 0.00 0.00 32.23 32.60 2cri h LYS 114 CO -0.46 -0.70 0.55 0.93 -2.06 0.00 0.00 179.45 177.71 2cri h GLU 115 N -1.16 0.73 -6.30 3.15 5.08 -0.12 -3.43 114.58 112.54 2cri h GLU 115 Ca -0.11 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.54 2cri h GLU 115 Cb 0.85 -0.17 0.07 0.00 0.50 0.00 0.00 28.75 30.01 2cri h GLU 115 CO 0.18 0.49 0.30 0.00 -1.00 0.00 0.00 179.01 178.98 2cri n ALA 116 N -2.43 -0.94 -2.69 3.43 0.00 0.10 -4.96 120.51 113.02 2cri n ALA 116 Ca 0.15 0.48 -0.27 0.00 0.00 0.00 0.00 53.44 53.80 2cri n ALA 116 Cb 0.36 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 3.54 0.00 0.00 -0.14 -1.26 -4.98 119.74 116.76 2cri s LYS 117 Ca 0.77 -0.26 0.15 0.00 -1.36 0.00 0.00 55.97 55.26 2cri s LYS 117 Cb -0.89 -2.76 0.74 0.00 -1.68 0.00 0.00 37.83 33.24 2cri s LYS 117 CO 0.51 0.32 1.41 -0.35 -0.76 0.00 0.00 175.35 176.47 2cri n PRO 118 N -0.91 0.20 0.13 -1.68 -0.04 -1.26 -1.73 135.00 129.71 2cri n PRO 118 Ca -0.04 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2cri n PRO 118 Cb 0.54 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 3.32 -2.01 -3.36 116.42 117.91 2cri h ASP 119 Ca 0.00 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2cri h ASP 119 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2cri h ASP 119 CO 0.00 0.01 -1.68 -0.62 -1.72 0.00 0.00 179.24 175.22 2cri n GLU 120 N -2.74 1.55 -2.12 3.56 -0.58 -0.90 -4.99 120.64 114.42 2cri n GLU 120 Ca 0.01 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 2cri n GLU 120 Cb 0.54 -1.28 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 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 -4.47 4.40 -0.06 -4.62 1.43 -0.71 -4.92 118.68 109.73 2cri s LEU 121 Ca -0.05 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 2cri s LEU 121 Cb 0.05 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2cri s LEU 121 CO 0.47 -0.63 -0.14 0.00 0.23 0.00 0.00 176.35 176.28 2cri s MET 122 N 0.06 1.76 0.37 1.70 0.23 -1.21 -4.93 119.30 117.28 2cri s MET 122 Ca 0.60 -0.49 0.08 0.00 -1.03 0.00 0.00 55.69 54.84 2cri s MET 122 Cb -0.39 -1.47 -0.03 0.00 -1.53 0.00 0.00 34.83 31.41 2cri s MET 122 CO 0.38 0.11 0.26 0.16 -2.03 0.00 0.00 175.02 173.90 2cri s ASP 123 N 0.42 4.93 -0.09 -1.18 1.47 -1.26 -1.21 116.67 119.75 2cri s ASP 123 Ca -0.11 -0.73 -0.00 0.00 1.18 0.00 0.00 52.55 52.88 2cri s ASP 123 Cb -0.14 -0.71 0.02 0.00 -0.34 0.00 0.00 42.92 41.76 2cri s ASP 123 CO 0.03 -0.46 -0.06 -0.55 0.68 0.00 0.00 175.17 174.81 2cri s SER 124 N -3.99 1.91 -0.55 2.11 0.15 0.38 -4.95 113.70 108.76 2cri s SER 124 Ca 0.42 -0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 2cri s SER 124 Cb -0.03 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 2cri s SER 124 CO 0.25 -0.12 1.06 -0.75 1.20 0.00 0.00 173.24 174.88 2cri s LYS 125 N 1.64 3.47 -0.09 5.44 2.20 -1.26 -2.64 119.74 128.50 2cri s LYS 125 Ca 0.02 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2cri s LYS 125 Cb -0.13 -4.01 -0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2cri s LYS 125 CO -0.06 -1.53 -0.24 -1.17 -0.36 0.00 0.00 175.35 171.99 2cri s LEU 126 N 4.40 2.10 -0.24 5.43 0.20 -0.35 -5.01 118.68 125.20 2cri s LEU 126 Ca 0.38 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.59 2cri s LEU 126 Cb -0.10 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 2cri s LEU 126 CO 0.24 0.18 0.07 -0.60 -0.29 0.00 0.00 176.35 175.95 2cri s ARG 127 N 0.20 3.69 0.06 1.98 3.52 -1.26 -2.15 118.95 124.99 2cri s ARG 127 Ca -0.15 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 2cri s ARG 127 Cb -0.17 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 2cri s ARG 127 CO 0.07 -0.15 1.02 0.00 -0.81 0.00 0.00 175.30 175.43 2cri s VAL 129 N 0.55 3.26 -0.40 0.00 1.01 -0.27 -4.96 120.40 119.60 2cri s VAL 129 Ca 0.51 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 2cri s VAL 129 Cb -0.24 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2cri s VAL 129 CO 0.29 0.50 0.68 -0.36 0.00 0.00 0.00 175.10 176.22 2cri s PHE 130 N 0.58 3.09 0.03 5.22 0.40 -1.26 -0.97 117.98 125.07 2cri s PHE 130 Ca -0.06 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2cri s PHE 130 Cb -0.15 -3.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 2cri s PHE 130 CO 0.03 -0.77 0.17 -1.21 0.70 0.00 0.00 175.22 174.14 2cri s GLU 131 N 2.89 3.35 -0.06 0.44 2.02 -0.20 -4.93 118.70 122.21 2cri s GLU 131 Ca 0.26 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.84 2cri s GLU 131 Cb -0.14 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.10 2cri s GLU 131 CO 0.18 0.63 -0.09 1.41 0.02 0.00 0.00 175.26 177.42 2cri s MET 132 N -2.20 1.32 -0.66 1.61 -2.45 -1.26 -2.58 119.30 113.08 2cri s MET 132 Ca 0.30 -0.27 -0.26 0.00 -1.25 0.00 0.00 55.69 54.21 2cri s MET 132 Cb -0.13 -1.18 -0.03 0.00 1.25 0.00 0.00 34.83 34.74 2cri s MET 132 CO 0.22 -0.04 1.88 -1.25 1.05 0.00 0.00 175.02 176.88 2cri s PRO 133 N 0.86 2.61 0.23 4.11 0.04 -1.26 -4.92 135.00 136.68 2cri s PRO 133 Ca -0.11 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.42 2cri s PRO 133 Cb -0.15 -4.51 -0.02 0.00 0.04 0.00 0.00 34.50 29.87 2cri s PRO 133 CO 0.01 -2.85 0.22 0.27 0.04 0.00 0.00 177.00 174.69 2cri n ASN 134 N 12.98 -0.57 -4.56 6.66 0.23 -1.26 -5.06 115.26 123.69 2cri n ASN 134 Ca 0.24 -2.48 -0.43 0.00 -0.53 0.00 0.00 54.58 51.38 2cri n ASN 134 Cb 0.51 1.26 -0.05 0.00 -2.08 0.00 0.00 39.78 39.42 2cri n ASN 134 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2cri s GLU 135 N -2.87 3.53 0.14 -3.83 2.12 -1.26 -5.04 118.70 111.48 2cri s GLU 135 Ca 0.26 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.61 2cri s GLU 135 Cb 0.01 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2cri s GLU 135 CO 0.19 -1.01 0.33 -0.80 -0.54 0.00 0.00 175.26 173.43 2cri s ASN 136 N 2.02 6.42 0.88 -1.70 -0.87 -1.26 -5.11 114.94 115.32 2cri s ASN 136 Ca 0.30 0.43 -0.13 0.00 -1.57 0.00 0.00 52.86 51.89 2cri s ASN 136 Cb -0.13 -2.02 0.15 0.00 -0.02 0.00 0.00 41.25 39.23 2cri s ASN 136 CO 0.20 0.05 1.23 -1.81 -2.57 0.00 0.00 177.10 174.20 2cri s ASP 137 N -2.73 3.74 -0.76 -1.22 1.11 -1.26 -4.98 116.67 110.58 2cri s ASP 137 Ca 0.38 0.36 -0.26 0.00 0.18 0.00 0.00 52.55 53.21 2cri s ASP 137 Cb -0.12 -0.60 0.04 0.00 1.07 0.00 0.00 42.92 43.31 2cri s ASP 137 CO 0.27 -2.34 1.25 -0.54 1.18 0.00 0.00 175.17 174.99 2cri s LYS 138 N -5.68 3.22 -0.40 8.23 -0.14 -1.26 -4.98 119.74 118.73 2cri s LYS 138 Ca 0.69 -0.41 -0.12 0.00 -1.36 0.00 0.00 55.97 54.76 2cri s LYS 138 Cb -0.06 -4.30 0.04 0.00 -1.68 0.00 0.00 37.83 31.83 2cri s LYS 138 CO 0.50 -2.11 0.27 -1.17 -0.76 0.00 0.00 175.35 172.08 2cri s LEU 139 N 5.42 5.02 -0.23 3.17 0.20 -1.26 -5.04 118.68 125.95 2cri s LEU 139 Ca 0.34 -1.11 -0.13 0.00 0.69 0.00 0.00 54.13 53.93 2cri s LEU 139 Cb -0.08 -2.07 0.07 0.00 -0.43 0.00 0.00 46.19 43.67 2cri s LEU 139 CO 0.12 -0.47 0.57 0.21 -0.29 0.00 0.00 176.35 176.50 2cri s ASN 140 N 1.83 -0.77 -0.47 3.68 2.47 -1.26 -4.94 114.94 115.47 2cri s ASN 140 Ca 0.03 1.26 0.03 0.00 0.42 0.00 0.00 52.86 54.60 2cri s ASN 140 Cb -0.21 1.16 0.14 0.00 -1.45 0.00 0.00 41.25 40.90 2cri s ASN 140 CO 0.07 -0.22 0.29 -1.81 -3.72 0.00 0.00 177.10 171.70 2cri s ASP 141 N 1.58 3.52 -0.26 -4.21 1.01 -1.26 -5.06 116.67 111.99 2cri s ASP 141 Ca -0.10 -2.85 -0.00 0.00 0.71 0.00 0.00 52.55 50.31 2cri s ASP 141 Cb -0.07 -1.04 0.08 0.00 1.01 0.00 0.00 42.92 42.91 2cri s ASP 141 CO -0.17 -0.23 0.02 -0.94 0.21 0.00 0.00 175.17 174.07 2cri s SER 142 N 0.07 3.79 0.00 0.27 1.04 -1.26 -5.02 113.70 112.59 2cri s SER 142 Ca 0.21 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2cri s SER 142 Cb -0.18 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2cri s SER 142 CO -0.05 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2cri n GLY 143 N 4.77 -3.27 0.26 7.32 0.00 -1.26 -4.90 105.19 108.11 2cri n GLY 143 Ca -0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2cri n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri h PRO 144 N 0.00 0.91 -2.86 1.61 0.13 -2.05 -3.47 132.00 126.27 2cri h PRO 144 Ca 0.00 -0.48 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2cri h PRO 144 Cb 0.00 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2cri h PRO 144 CO 0.00 1.13 0.27 -1.12 -0.23 0.00 0.00 178.00 178.05 2cri s SER 145 N -6.79 -0.43 0.83 1.44 0.01 -1.26 -5.17 113.70 102.32 2cri s SER 145 Ca -0.11 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 2cri s SER 145 Cb 0.11 0.60 0.09 0.00 0.21 0.00 0.00 66.02 67.03 2cri s SER 145 CO 0.87 -1.02 1.12 -0.94 0.41 0.00 0.00 173.24 173.69 2cri s SER 146 N -2.78 4.23 0.00 2.44 1.04 -1.26 -5.17 113.70 112.21 2cri s SER 146 Ca 0.05 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2cri s SER 146 Cb -0.02 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2cri s SER 146 CO -0.06 -2.11 0.00 0.61 0.98 0.00 0.00 173.24 172.66