#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 -0.19 -0.42 1.61 0.01 -1.26 -5.11 113.70 108.34 2cri s SER 2 Ca 0.00 -0.52 -0.28 0.00 1.31 0.00 0.00 55.95 56.46 2cri s SER 2 Cb 0.00 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.81 2cri s SER 2 CO 0.00 -1.09 1.63 -0.94 0.41 0.00 0.00 173.24 173.25 2cri s SER 3 N -2.96 6.00 0.00 2.44 1.04 -1.26 -4.86 113.70 114.09 2cri s SER 3 Ca 0.12 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2cri s SER 3 Cb -0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2cri s SER 3 CO 0.04 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.18 2cri n GLY 4 N 5.32 1.44 1.14 7.32 0.00 -1.26 -5.10 105.19 114.06 2cri n GLY 4 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2cri n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cri n SER 5 N 0.00 0.47 -4.75 1.61 7.64 -1.26 -5.08 113.62 112.25 2cri n SER 5 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2cri n SER 5 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2cri n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cri s SER 6 N -4.61 5.12 0.00 6.43 1.04 -1.26 -4.90 113.70 115.53 2cri s SER 6 Ca 0.00 2.52 0.00 0.00 0.48 0.00 0.00 55.95 58.95 2cri s SER 6 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2cri s SER 6 CO 0.00 -1.65 0.00 0.61 0.98 0.00 0.00 173.24 173.18 2cri n GLY 7 N 0.65 -0.67 3.24 7.32 0.00 -1.26 -5.09 105.19 109.39 2cri n GLY 7 Ca 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2cri n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cri s MET 8 N -0.65 1.06 0.65 1.61 0.00 -1.26 -5.17 119.30 115.55 2cri s MET 8 Ca 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 55.69 54.20 2cri s MET 8 Cb 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 34.83 34.41 2cri s MET 8 CO 0.00 0.01 0.91 0.00 0.00 0.00 0.00 175.02 175.94 2cri s ALA 9 N -3.44 3.62 -1.37 3.16 0.00 -1.26 -4.99 121.76 117.48 2cri s ALA 9 Ca 0.18 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 2cri s ALA 9 Cb 0.04 -2.20 0.10 0.00 0.00 0.00 0.00 23.12 21.06 2cri s ALA 9 CO 0.01 -1.14 2.26 1.63 0.00 0.00 0.00 175.76 178.52 2cri n LYS 10 N -2.66 3.91 -3.08 0.00 4.01 -1.26 -4.90 118.16 114.17 2cri n LYS 10 Ca 0.10 -3.21 -0.45 0.00 -0.51 0.00 0.00 58.31 54.24 2cri n LYS 10 Cb 0.60 -2.84 -0.03 0.00 -0.51 0.00 0.00 35.03 32.25 2cri n LYS 10 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 2cri s HIS 11 N 0.39 3.24 -0.82 2.13 -3.43 -1.26 -4.99 115.29 110.55 2cri s HIS 11 Ca 0.50 -1.39 -0.19 0.00 -0.80 0.00 0.00 55.06 53.18 2cri s HIS 11 Cb 0.15 -4.08 0.12 0.00 -1.43 0.00 0.00 32.58 27.34 2cri s HIS 11 CO -0.05 -1.31 1.00 -1.83 -2.00 0.00 0.00 174.74 170.55 2cri s GLU 12 N 2.06 3.43 0.02 -0.38 -1.05 -1.26 -4.99 118.70 116.53 2cri s GLU 12 Ca 0.22 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 2cri s GLU 12 Cb -0.12 -4.65 -0.02 0.00 -0.44 0.00 0.00 34.13 28.90 2cri s GLU 12 CO -0.04 -1.70 -0.03 -1.14 0.95 0.00 0.00 175.26 173.30 2cri s GLN 13 N 2.68 0.31 -0.09 -4.83 0.74 -1.26 -4.63 119.66 112.58 2cri s GLN 13 Ca 0.26 -0.62 0.10 0.00 0.05 0.00 0.00 55.36 55.16 2cri s GLN 13 Cb -0.10 0.11 -0.14 0.00 1.10 0.00 0.00 33.01 33.97 2cri s GLN 13 CO -0.04 -0.05 0.08 1.51 -0.55 0.00 0.00 175.29 176.25 2cri n ILE 14 N 1.59 0.60 -4.04 -2.34 0.00 -1.26 -4.97 119.36 108.94 2cri n ILE 14 Ca -0.24 -0.42 -0.34 0.00 0.00 0.00 0.00 62.75 61.74 2cri n ILE 14 Cb 0.55 -0.52 -0.10 0.00 0.00 0.00 0.00 39.64 39.57 2cri n ILE 14 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2cri s LEU 15 N -4.60 3.75 -0.55 9.51 1.43 -1.26 -4.09 118.68 122.87 2cri s LEU 15 Ca -0.05 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 2cri s LEU 15 Cb 0.04 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.37 2cri s LEU 15 CO 0.45 0.17 0.82 -0.69 0.23 0.00 0.00 176.35 177.33 2cri s VAL 16 N 0.41 4.57 0.70 -1.59 1.01 -0.85 -4.95 120.40 119.71 2cri s VAL 16 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 2cri s VAL 16 Cb -0.13 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2cri s VAL 16 CO 0.01 -1.03 1.07 -0.76 0.00 0.00 0.00 175.10 174.38 2cri s LEU 17 N 3.44 3.16 -0.23 3.92 1.02 -1.26 -1.57 118.68 127.16 2cri s LEU 17 Ca 0.23 1.71 -0.07 0.00 0.02 0.00 0.00 54.13 56.02 2cri s LEU 17 Cb -0.16 -4.51 0.10 0.00 0.02 0.00 0.00 46.19 41.65 2cri s LEU 17 CO 0.15 -1.57 0.47 -1.81 0.02 0.00 0.00 176.35 173.61 2cri s ASP 18 N -3.52 -0.44 0.23 2.29 1.01 -0.91 -2.42 116.67 112.91 2cri s ASP 18 Ca 0.60 1.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.62 2cri s ASP 18 Cb -0.15 1.56 -0.09 0.00 1.01 0.00 0.00 42.92 45.24 2cri s ASP 18 CO 0.52 -0.23 1.28 -2.16 0.21 0.00 0.00 175.17 174.79 2cri s PRO 19 N 2.68 4.42 0.23 8.23 0.04 -1.26 -2.09 135.00 147.24 2cri s PRO 19 Ca -0.01 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2cri s PRO 19 Cb -0.12 -3.17 0.23 0.00 0.04 0.00 0.00 34.50 31.48 2cri s PRO 19 CO -0.14 -0.18 1.59 -1.00 0.04 0.00 0.00 177.00 177.31 2cri h PRO 20 N 4.77 0.52 0.00 0.56 0.13 -1.86 -3.37 132.00 132.75 2cri h PRO 20 Ca -0.46 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 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 0.73 0.85 0.00 0.43 -0.23 0.00 0.00 178.00 179.79 2cri n SER 21 N -4.01 0.00 -3.92 1.44 7.64 -1.26 -4.96 113.62 108.55 2cri n SER 21 Ca -0.02 0.48 -0.09 0.00 1.01 0.00 0.00 58.87 60.25 2cri n SER 21 Cb 0.53 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.46 2cri n SER 21 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 22 N -1.88 0.18 -0.48 6.43 1.01 -1.26 -4.35 116.67 116.31 2cri s ASP 22 Ca 0.00 -0.57 -0.16 0.00 0.71 0.00 0.00 52.55 52.53 2cri s ASP 22 Cb 0.00 0.25 0.07 0.00 1.01 0.00 0.00 42.92 44.25 2cri s ASP 22 CO 0.00 -0.56 0.44 -0.22 0.21 0.00 0.00 175.17 175.05 2cri s LEU 23 N -2.30 5.51 0.46 1.23 2.96 -0.44 -4.57 118.68 121.53 2cri s LEU 23 Ca -0.02 -1.26 -0.17 0.00 -0.22 0.00 0.00 54.13 52.46 2cri s LEU 23 Cb 0.01 -2.23 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 2cri s LEU 23 CO -0.06 -0.70 0.92 -0.54 -1.32 0.00 0.00 176.35 174.65 2cri s LYS 24 N 1.83 4.00 -0.22 1.98 1.02 -1.26 -0.95 119.74 126.14 2cri s LYS 24 Ca 0.06 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 2cri s LYS 24 Cb -0.23 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2cri s LYS 24 CO 0.08 -0.14 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.30 2cri s PHE 25 N -2.42 1.79 -0.17 3.18 0.40 -0.71 -4.88 117.98 115.17 2cri s PHE 25 Ca 0.58 -1.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 2cri s PHE 25 Cb -0.10 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2cri s PHE 25 CO 0.26 -0.71 1.37 0.21 0.70 0.00 0.00 175.22 177.05 2cri s LYS 26 N 1.60 4.13 0.00 0.44 2.47 -1.26 -1.73 119.74 125.39 2cri s LYS 26 Ca -0.03 1.69 0.00 0.00 -1.56 0.00 0.00 55.97 56.07 2cri s LYS 26 Cb -0.18 -3.85 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 2cri s LYS 26 CO -0.08 -0.85 0.00 0.41 0.16 0.00 0.00 175.35 174.99 2cri n GLY 27 N 3.92 -2.85 3.61 5.54 0.00 0.21 -4.93 105.19 110.68 2cri n GLY 27 Ca 0.15 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.28 -0.91 -0.25 1.61 0.04 -1.26 -4.75 135.00 129.20 2cri s PRO 28 Ca 0.00 0.05 0.13 0.00 0.04 0.00 0.00 61.00 61.22 2cri s PRO 28 Cb 0.00 -1.62 0.73 0.00 0.04 0.00 0.00 34.50 33.64 2cri s PRO 28 CO 0.00 -3.53 1.68 1.19 0.04 0.00 0.00 177.00 176.38 2cri n PHE 29 N -4.65 1.88 0.42 0.56 3.72 -1.26 -4.31 117.46 113.82 2cri n PHE 29 Ca 0.11 -0.92 0.12 0.00 -0.05 0.00 0.00 57.45 56.71 2cri n PHE 29 Cb 0.59 -0.51 0.12 0.00 -0.94 0.00 0.00 39.48 38.73 2cri n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri h THR 30 N 3.03 0.00 -4.14 4.37 1.03 -1.95 -3.13 112.91 112.11 2cri h THR 30 Ca 0.08 -0.66 -0.28 0.00 -0.01 0.00 0.00 66.41 65.54 2cri h THR 30 Cb 1.94 1.22 -0.15 0.00 -1.07 0.00 0.00 68.15 70.10 2cri h THR 30 CO 0.49 0.00 -0.63 -0.62 -0.01 0.00 0.00 175.52 174.75 2cri s ASP 31 N -4.62 0.72 0.00 0.00 -1.08 -1.26 -4.84 116.67 105.58 2cri s ASP 31 Ca 0.04 -1.32 -0.31 0.00 -0.52 0.00 0.00 52.55 50.44 2cri s ASP 31 Cb 0.12 0.25 -0.09 0.00 -1.46 0.00 0.00 42.92 41.73 2cri s ASP 31 CO 0.74 -0.74 1.97 0.52 0.52 0.00 0.00 175.17 178.18 2cri n VAL 32 N -0.31 0.72 -3.61 1.11 0.31 -1.26 -4.08 118.33 111.21 2cri n VAL 32 Ca -0.01 -0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 63.79 2cri n VAL 32 Cb 0.65 -2.24 -0.11 0.00 -0.91 0.00 0.00 33.84 31.23 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 4.55 4.96 -0.25 2.52 1.01 0.78 -4.89 120.40 129.07 2cri s VAL 33 Ca 0.90 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 2cri s VAL 33 Cb -0.48 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2cri s VAL 33 CO 0.44 0.12 0.45 -0.89 0.00 0.00 0.00 175.10 175.21 2cri s THR 34 N 1.68 5.13 -0.03 3.92 2.01 -1.26 -0.23 115.64 126.87 2cri s THR 34 Ca 0.06 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2cri s THR 34 Cb -0.17 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2cri s THR 34 CO 0.08 0.14 0.00 -0.89 -0.69 0.00 0.00 174.62 173.27 2cri s THR 35 N 2.05 4.20 -0.28 -0.82 2.01 -0.36 -4.91 115.64 117.54 2cri s THR 35 Ca 0.19 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 2cri s THR 35 Cb -0.16 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2cri s THR 35 CO 0.09 0.45 0.20 0.20 -0.69 0.00 0.00 174.62 174.87 2cri s ASN 36 N -1.34 6.04 -0.37 3.53 -0.87 -1.26 -0.51 114.94 120.16 2cri s ASN 36 Ca 0.18 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 2cri s ASN 36 Cb -0.11 -2.12 0.10 0.00 -0.02 0.00 0.00 41.25 39.09 2cri s ASN 36 CO 0.08 -0.05 0.11 -0.22 -2.57 0.00 0.00 177.10 174.45 2cri s LEU 37 N 1.72 4.88 0.43 0.60 0.20 -0.85 -4.79 118.68 120.87 2cri s LEU 37 Ca 0.07 -1.99 -0.22 0.00 0.69 0.00 0.00 54.13 52.69 2cri s LEU 37 Cb -0.16 -1.73 -0.10 0.00 -0.43 0.00 0.00 46.19 43.77 2cri s LEU 37 CO 0.10 -0.44 0.98 -0.54 -0.29 0.00 0.00 176.35 176.17 2cri s LYS 38 N 1.06 4.14 -0.25 1.98 1.02 -0.89 -1.54 119.74 125.25 2cri s LYS 38 Ca 0.07 1.25 -0.02 0.00 0.02 0.00 0.00 55.97 57.29 2cri s LYS 38 Cb -0.21 -2.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.93 2cri s LYS 38 CO -0.05 -0.12 0.08 -0.51 -0.92 0.00 0.00 175.35 173.82 2cri s LEU 39 N -3.10 1.41 0.42 3.17 1.43 -0.02 -2.14 118.68 119.84 2cri s LEU 39 Ca 0.62 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2cri s LEU 39 Cb -0.13 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 2cri s LEU 39 CO 0.17 -0.37 0.81 -1.58 0.23 0.00 0.00 176.35 175.62 2cri s GLN 40 N 1.83 3.86 -0.28 1.70 0.74 -0.61 -2.06 119.66 124.84 2cri s GLN 40 Ca 0.05 0.62 -0.01 0.00 0.05 0.00 0.00 55.36 56.06 2cri s GLN 40 Cb -0.17 -2.34 0.09 0.00 1.10 0.00 0.00 33.01 31.69 2cri s GLN 40 CO -0.20 -0.06 0.07 1.21 -0.55 0.00 0.00 175.29 175.77 2cri s ASN 41 N -2.99 3.73 0.16 6.67 2.47 -1.02 -2.00 114.94 121.96 2cri s ASN 41 Ca 0.54 -1.39 -0.09 0.00 0.42 0.00 0.00 52.86 52.33 2cri s ASN 41 Cb -0.10 -0.80 0.01 0.00 -1.45 0.00 0.00 41.25 38.91 2cri s ASN 41 CO 0.29 -0.38 1.50 1.55 -3.72 0.00 0.00 177.10 176.34 2cri h PRO 42 N 8.13 0.87 -6.45 0.43 0.13 -1.92 -0.90 132.00 132.29 2cri h PRO 42 Ca -0.15 -0.45 -0.31 0.00 -0.87 0.00 0.00 66.00 64.22 2cri h PRO 42 Cb 1.04 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 42 CO 0.43 1.10 -0.36 -1.13 -0.23 0.00 0.00 178.00 177.81 2cri n SER 43 N -4.05 -3.15 -0.27 1.44 3.41 -1.26 -4.69 113.62 105.04 2cri n SER 43 Ca -0.02 -0.47 0.09 0.00 -0.26 0.00 0.00 58.87 58.21 2cri n SER 43 Cb 0.54 -0.89 0.17 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.79 2.35 -3.95 4.04 9.92 -1.26 -3.39 116.55 121.47 2cri n ASP 44 Ca 0.07 -3.27 -0.10 0.00 -0.53 0.00 0.00 54.79 50.96 2cri n ASP 44 Cb 0.47 -0.47 -0.11 0.00 -0.64 0.00 0.00 41.12 40.38 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 -2.96 0.31 0.25 -1.24 1.70 -1.26 -4.84 118.95 110.90 2cri s ARG 45 Ca 0.34 -0.50 -0.31 0.00 -0.47 0.00 0.00 55.73 54.80 2cri s ARG 45 Cb 0.31 0.11 -0.14 0.00 -0.57 0.00 0.00 34.95 34.66 2cri s ARG 45 CO 0.01 -0.06 1.27 1.63 -1.08 0.00 0.00 175.30 177.07 2cri n LYS 46 N 1.74 1.73 -4.47 3.89 5.02 -1.26 -4.47 118.16 120.34 2cri n LYS 46 Ca -0.22 0.61 -0.21 0.00 -2.02 0.00 0.00 58.31 56.47 2cri n LYS 46 Cb 0.56 -2.17 -0.16 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.41 0.89 0.25 -0.18 1.01 -1.17 -1.31 120.40 119.48 2cri s VAL 47 Ca 0.66 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 2cri s VAL 47 Cb -0.69 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 2cri s VAL 47 CO 0.54 0.27 0.70 0.00 0.00 0.00 0.00 175.10 176.61 2cri s PHE 49 N -1.70 -0.43 0.05 0.00 -0.71 -1.03 -0.79 117.98 113.37 2cri s PHE 49 Ca 0.47 0.98 0.08 0.00 -1.04 0.00 0.00 56.93 57.41 2cri s PHE 49 Cb -0.14 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2cri s PHE 49 CO 0.19 -0.27 -0.21 0.15 -1.34 0.00 0.00 175.22 173.75 2cri s LYS 50 N 1.21 1.96 -0.20 1.99 1.02 -1.01 -2.86 119.74 121.84 2cri s LYS 50 Ca -0.09 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 54.82 2cri s LYS 50 Cb -0.09 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 2cri s LYS 50 CO -0.09 0.53 -0.03 0.08 -0.92 0.00 0.00 175.35 174.91 2cri s VAL 51 N -0.91 3.64 -0.09 3.17 1.01 -0.94 -2.55 120.40 123.72 2cri s VAL 51 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2cri s VAL 51 Cb -0.10 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2cri s VAL 51 CO 0.05 0.44 0.23 -1.59 0.00 0.00 0.00 175.10 174.22 2cri s LYS 52 N 1.08 0.21 0.21 2.72 0.00 -1.22 -4.90 119.74 117.84 2cri s LYS 52 Ca 0.01 0.44 0.03 0.00 0.00 0.00 0.00 55.97 56.45 2cri s LYS 52 Cb -0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 37.83 37.60 2cri s LYS 52 CO 0.00 -0.12 0.01 -0.08 0.00 0.00 0.00 175.35 175.16 2cri s THR 53 N 0.85 0.85 -0.89 3.79 -1.32 -1.26 -3.21 115.64 114.44 2cri s THR 53 Ca -0.06 -2.01 0.28 0.00 -1.21 0.00 0.00 61.69 58.69 2cri s THR 53 Cb -0.07 -2.27 0.25 0.00 -1.51 0.00 0.00 72.50 68.89 2cri s THR 53 CO -0.05 -0.36 1.85 0.35 -2.21 0.00 0.00 174.62 174.19 2cri n THR 54 N -0.35 0.23 -3.06 5.08 -2.24 -1.19 -3.97 114.28 108.78 2cri n THR 54 Ca -0.05 -0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 2cri n THR 54 Cb 0.64 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cri n ALA 55 N -1.61 4.12 -0.12 6.98 0.00 -1.26 -4.88 120.51 123.74 2cri n ALA 55 Ca 0.06 -4.49 -0.13 0.00 0.00 0.00 0.00 53.44 48.89 2cri n ALA 55 Cb 0.38 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 3.21 0.89 0.00 0.00 0.13 -1.78 0.19 132.00 134.65 2cri h PRO 56 Ca 0.14 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2cri h PRO 56 Cb 0.61 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2cri h PRO 56 CO 0.76 1.12 0.06 0.00 -0.23 0.00 0.00 178.00 179.71 2cri h ARG 57 N 0.70 0.00 0.00 0.86 2.47 -1.94 -1.94 114.38 114.53 2cri h ARG 57 Ca 0.06 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.67 2cri h ARG 57 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 2cri h ARG 57 CO 0.09 0.00 -1.44 0.54 0.56 0.00 0.00 179.97 179.72 2cri n ARG 58 N -2.37 2.54 -4.03 0.04 1.74 -1.09 -4.97 116.66 108.53 2cri n ARG 58 Ca -0.02 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.70 2cri n ARG 58 Cb 0.10 -1.17 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cri s TYR 59 N -2.21 3.05 -0.49 -1.55 1.51 0.65 -2.42 117.35 115.89 2cri s TYR 59 Ca -0.03 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2cri s TYR 59 Cb 0.02 -2.10 0.13 0.00 -0.11 0.00 0.00 41.96 39.90 2cri s TYR 59 CO 0.28 -0.24 0.25 0.00 -1.11 0.00 0.00 175.55 174.72 2cri s VAL 61 N 0.30 4.96 -0.04 0.00 1.01 -1.26 0.54 120.40 125.91 2cri s VAL 61 Ca 0.14 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 2cri s VAL 61 Cb -0.22 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2cri s VAL 61 CO -0.03 0.07 0.03 -0.13 0.00 0.00 0.00 175.10 175.03 2cri s ARG 62 N 2.09 0.13 0.82 2.72 1.81 0.77 -2.84 118.95 124.45 2cri s ARG 62 Ca 0.32 0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 54.47 2cri s ARG 62 Cb -0.16 -0.56 0.08 0.00 -0.45 0.00 0.00 34.95 33.87 2cri s ARG 62 CO 0.11 -0.27 1.09 -1.25 -0.68 0.00 0.00 175.30 174.30 2cri s PRO 63 N 1.77 1.88 0.00 3.54 0.04 -1.26 -0.05 135.00 140.91 2cri s PRO 63 Ca 0.00 1.04 0.24 0.00 0.04 0.00 0.00 61.00 62.32 2cri s PRO 63 Cb -0.12 -1.86 0.28 0.00 0.04 0.00 0.00 34.50 32.83 2cri s PRO 63 CO -0.03 -1.87 1.30 0.27 0.04 0.00 0.00 177.00 176.71 2cri n ASN 64 N -3.66 2.73 -3.61 6.66 6.94 -1.13 -4.83 115.26 118.36 2cri n ASN 64 Ca 0.08 -1.89 -0.05 0.00 -0.02 0.00 0.00 54.58 52.70 2cri n ASN 64 Cb 0.54 0.04 -0.04 0.00 -2.36 0.00 0.00 39.78 37.95 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 -2.04 -0.17 0.00 0.53 1.04 -1.26 -2.21 113.70 109.59 2cri s SER 65 Ca 0.28 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2cri s SER 65 Cb 0.20 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2cri s SER 65 CO 0.33 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2cri n GLY 66 N 0.57 -0.58 3.12 7.32 0.00 -1.14 -5.06 105.19 109.42 2cri n GLY 66 Ca -0.04 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 1.21 -0.24 -0.61 1.01 -1.26 -2.46 121.20 115.85 2cri s ILE 67 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 2cri s ILE 67 Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2cri s ILE 67 CO 0.00 0.35 0.13 -0.63 0.00 0.00 0.00 174.94 174.79 2cri s ILE 68 N -0.25 5.04 0.70 2.92 1.01 -0.63 -4.96 121.20 125.04 2cri s ILE 68 Ca 0.04 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2cri s ILE 68 Cb -0.07 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2cri s ILE 68 CO -0.00 0.35 1.04 0.47 0.00 0.00 0.00 174.94 176.80 2cri n ASP 69 N 4.42 0.81 -4.58 3.58 9.92 -1.26 -3.02 116.55 126.42 2cri n ASP 69 Ca -0.15 0.70 -0.41 0.00 -0.53 0.00 0.00 54.79 54.40 2cri n ASP 69 Cb 0.52 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.53 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 -3.34 3.12 0.00 -0.24 0.04 -1.26 -3.33 135.00 129.99 2cri s PRO 70 Ca 0.75 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2cri s PRO 70 Cb -0.35 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2cri s PRO 70 CO 0.48 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2cri n GLY 71 N 5.46 0.60 3.47 0.56 0.00 -0.34 -4.88 105.19 110.07 2cri n GLY 71 Ca 0.21 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.71 -0.30 -0.14 1.61 0.01 -1.21 -4.94 113.70 106.01 2cri s SER 72 Ca 0.00 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 2cri s SER 72 Cb 0.00 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.78 2cri s SER 72 CO 0.00 -1.01 -0.12 -0.63 0.41 0.00 0.00 173.24 171.89 2cri s ILE 73 N -3.84 3.10 -0.18 1.44 1.01 -1.26 -2.45 121.20 119.02 2cri s ILE 73 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2cri s ILE 73 Cb -0.01 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2cri s ILE 73 CO -0.06 0.51 -0.05 -0.69 0.00 0.00 0.00 174.94 174.66 2cri s VAL 74 N 0.48 3.56 -0.29 2.92 1.01 -0.88 -4.84 120.40 122.37 2cri s VAL 74 Ca -0.09 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2cri s VAL 74 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2cri s VAL 74 CO 0.04 0.46 0.47 -0.89 0.00 0.00 0.00 175.10 175.19 2cri s THR 75 N 0.88 5.08 0.12 3.92 2.01 -1.26 -0.84 115.64 125.56 2cri s THR 75 Ca -0.01 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2cri s THR 75 Cb -0.15 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2cri s THR 75 CO 0.01 0.02 0.27 -0.69 -0.69 0.00 0.00 174.62 173.54 2cri s VAL 76 N 2.26 5.34 -0.43 3.82 1.01 -0.59 -4.90 120.40 126.92 2cri s VAL 76 Ca 0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2cri s VAL 76 Cb -0.16 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2cri s VAL 76 CO 0.10 -0.01 0.29 -0.55 0.00 0.00 0.00 175.10 174.93 2cri s SER 77 N -2.96 5.73 -0.76 3.32 0.15 0.93 -2.00 113.70 118.11 2cri s SER 77 Ca 0.35 -1.48 -0.17 0.00 0.70 0.00 0.00 55.95 55.36 2cri s SER 77 Cb -0.12 -2.02 0.16 0.00 -1.71 0.00 0.00 66.02 62.33 2cri s SER 77 CO 0.28 -0.56 0.81 -0.69 1.20 0.00 0.00 173.24 174.28 2cri s VAL 78 N 1.46 5.15 -0.36 4.45 1.01 0.33 -0.16 120.40 132.28 2cri s VAL 78 Ca 0.03 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 59.96 2cri s VAL 78 Cb -0.23 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.62 2cri s VAL 78 CO 0.03 -1.15 1.35 -0.04 0.00 0.00 0.00 175.10 175.29 2cri s MET 79 N 1.58 3.74 -0.32 2.72 -1.94 0.19 -1.22 119.30 124.04 2cri s MET 79 Ca 0.18 1.07 -0.08 0.00 -1.71 0.00 0.00 55.69 55.15 2cri s MET 79 Cb -0.15 -3.95 0.02 0.00 2.01 0.00 0.00 34.83 32.76 2cri s MET 79 CO -0.04 -1.35 0.12 -1.17 -0.01 0.00 0.00 175.02 172.57 2cri s LEU 80 N 4.91 4.17 0.39 -0.03 1.98 0.68 0.07 118.68 130.85 2cri s LEU 80 Ca 0.59 -0.84 -0.26 0.00 -2.89 0.00 0.00 54.13 50.73 2cri s LEU 80 Cb -0.15 -1.92 -0.09 0.00 0.66 0.00 0.00 46.19 44.69 2cri s LEU 80 CO 0.28 -0.26 1.16 -1.10 -1.89 0.00 0.00 176.35 174.54 2cri s GLN 81 N 1.50 4.13 0.52 1.98 1.11 -1.02 -0.15 119.66 127.73 2cri s GLN 81 Ca 0.02 1.83 -0.21 0.00 0.01 0.00 0.00 55.36 57.01 2cri s GLN 81 Cb -0.18 -2.73 -0.06 0.00 -1.01 0.00 0.00 33.01 29.03 2cri s GLN 81 CO 0.04 -0.25 1.14 -1.25 0.01 0.00 0.00 175.29 174.98 2cri s PRO 82 N -2.21 3.49 0.35 2.91 0.04 -1.26 -4.89 135.00 133.43 2cri s PRO 82 Ca 0.56 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 2cri s PRO 82 Cb -0.30 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.14 2cri s PRO 82 CO 0.38 -0.75 0.75 -0.59 0.04 0.00 0.00 177.00 176.83 2cri s PHE 83 N -1.70 0.07 -0.96 0.56 -0.71 -1.18 -5.00 117.98 109.06 2cri s PHE 83 Ca 0.70 -0.65 -0.24 0.00 -1.04 0.00 0.00 56.93 55.69 2cri s PHE 83 Cb -0.25 0.74 -0.06 0.00 -1.21 0.00 0.00 43.02 42.24 2cri s PHE 83 CO 0.29 -1.43 1.96 -0.51 -1.34 0.00 0.00 175.22 174.19 2cri s ASP 84 N -3.03 5.08 -0.44 1.98 1.01 -1.26 -4.89 116.67 115.12 2cri s ASP 84 Ca 0.15 -0.85 -0.28 0.00 0.71 0.00 0.00 52.55 52.28 2cri s ASP 84 Cb -0.05 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2cri s ASP 84 CO 0.10 -2.85 1.81 -0.47 0.21 0.00 0.00 175.17 173.97 2cri s TYR 85 N 10.43 1.78 -0.37 4.23 5.04 -1.26 -4.95 117.35 132.25 2cri s TYR 85 Ca 0.70 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 56.06 2cri s TYR 85 Cb -0.06 -4.11 0.10 0.00 0.35 0.00 0.00 41.96 38.25 2cri s TYR 85 CO 0.02 -2.64 0.11 0.16 -1.34 0.00 0.00 175.55 171.87 2cri s ASP 86 N 6.84 4.95 0.31 4.32 1.47 -1.26 -4.96 116.67 128.34 2cri s ASP 86 Ca 0.74 -2.12 0.10 0.00 1.18 0.00 0.00 52.55 52.45 2cri s ASP 86 Cb -0.18 -1.71 0.50 0.00 -0.34 0.00 0.00 42.92 41.19 2cri s ASP 86 CO 0.29 -0.44 1.70 1.55 0.68 0.00 0.00 175.17 178.95 2cri h PRO 87 N 7.76 0.09 -0.83 2.11 0.13 -2.01 -3.19 132.00 136.06 2cri h PRO 87 Ca -0.07 -0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.22 2cri h PRO 87 Cb 1.03 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 2cri h PRO 87 CO 0.59 0.55 0.17 -0.91 -0.23 0.00 0.00 178.00 178.17 2cri h ASN 88 N 0.07 -0.07 -2.67 1.44 4.21 -2.02 -3.41 115.58 113.12 2cri h ASN 88 Ca 0.00 0.19 -0.21 0.00 1.21 0.00 0.00 56.30 57.49 2cri h ASN 88 Cb 0.87 0.27 0.09 0.00 -1.12 0.00 0.00 38.32 38.44 2cri h ASN 88 CO 0.07 -0.14 0.13 -0.62 -1.29 0.00 0.00 177.43 175.58 2cri n GLU 89 N -5.24 -1.35 -4.40 0.81 1.02 -1.21 -5.05 120.64 105.22 2cri n GLU 89 Ca 0.18 -0.95 -0.34 0.00 -0.02 0.00 0.00 57.16 56.04 2cri n GLU 89 Cb 0.60 -0.75 -0.12 0.00 -0.02 0.00 0.00 31.44 31.15 2cri n GLU 89 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2cri s LYS 90 N -4.34 3.65 0.25 3.49 2.20 -1.26 -5.08 119.74 118.65 2cri s LYS 90 Ca 0.36 -0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 55.13 2cri s LYS 90 Cb -0.02 -2.91 -0.12 0.00 -1.51 0.00 0.00 37.83 33.26 2cri s LYS 90 CO 0.27 0.22 1.58 0.43 -0.36 0.00 0.00 175.35 177.49 2cri n SER 91 N 3.59 3.55 -2.16 1.43 7.64 -1.26 -4.92 113.62 121.50 2cri n SER 91 Ca -0.17 1.12 -0.16 0.00 1.01 0.00 0.00 58.87 60.66 2cri n SER 91 Cb 0.52 -1.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.23 2cri n SER 91 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2cri n LYS 92 N 2.68 3.00 -4.64 1.43 3.00 -1.26 -5.03 118.16 117.34 2cri n LYS 92 Ca 0.12 -3.93 -0.24 0.00 -0.00 0.00 0.00 58.31 54.25 2cri n LYS 92 Cb 0.34 -2.05 -0.16 0.00 0.00 0.00 0.00 35.03 33.16 2cri n LYS 92 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2cri s HIS 93 N -3.58 1.41 0.08 5.64 -3.43 -1.26 -4.99 115.29 109.17 2cri s HIS 93 Ca 0.44 -0.42 0.07 0.00 -0.80 0.00 0.00 55.06 54.36 2cri s HIS 93 Cb 0.39 -0.98 -0.03 0.00 -1.43 0.00 0.00 32.58 30.52 2cri s HIS 93 CO 0.01 -0.17 -0.20 0.15 -2.00 0.00 0.00 174.74 172.54 2cri s LYS 94 N 0.22 1.12 -0.13 -0.38 1.02 -1.26 -4.77 119.74 115.56 2cri s LYS 94 Ca -0.06 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 54.88 2cri s LYS 94 Cb -0.11 -1.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2cri s LYS 94 CO 0.02 0.31 -0.20 0.12 -0.92 0.00 0.00 175.35 174.68 2cri s PHE 95 N -1.10 2.67 -0.01 3.18 2.19 0.07 -3.16 117.98 121.83 2cri s PHE 95 Ca 0.05 -1.13 0.05 0.00 0.33 0.00 0.00 56.93 56.22 2cri s PHE 95 Cb -0.10 -1.80 -0.01 0.00 -1.31 0.00 0.00 43.02 39.80 2cri s PHE 95 CO 0.03 -0.49 -0.15 -1.64 1.83 0.00 0.00 175.22 174.80 2cri s MET 96 N 0.64 1.19 -0.07 10.12 -1.94 -1.20 0.28 119.30 128.31 2cri s MET 96 Ca -0.10 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2cri s MET 96 Cb -0.16 -1.16 0.01 0.00 2.01 0.00 0.00 34.83 35.53 2cri s MET 96 CO 0.02 0.32 -0.14 0.08 -0.01 0.00 0.00 175.02 175.29 2cri s VAL 97 N -0.38 1.29 0.12 -6.03 1.01 -0.82 -3.42 120.40 112.17 2cri s VAL 97 Ca 0.06 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2cri s VAL 97 Cb -0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2cri s VAL 97 CO -0.00 0.39 0.21 -1.58 0.00 0.00 0.00 175.10 174.11 2cri s GLN 98 N 0.66 3.25 -0.18 2.72 0.74 -1.06 -0.39 119.66 125.41 2cri s GLN 98 Ca -0.14 -0.63 -0.10 0.00 0.05 0.00 0.00 55.36 54.54 2cri s GLN 98 Cb -0.16 -2.89 0.06 0.00 1.10 0.00 0.00 33.01 31.12 2cri s GLN 98 CO 0.04 0.54 0.44 0.95 -0.55 0.00 0.00 175.29 176.71 2cri s THR 99 N -1.64 -0.02 -0.12 -0.34 -4.23 0.33 -2.41 115.64 107.21 2cri s THR 99 Ca 0.33 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.86 2cri s THR 99 Cb -0.11 -0.65 0.05 0.00 1.34 0.00 0.00 72.50 73.12 2cri s THR 99 CO 0.26 0.03 0.29 -0.51 -0.54 0.00 0.00 174.62 174.16 2cri s ILE 100 N 1.41 -0.07 0.74 2.99 2.07 0.03 -2.96 121.20 125.41 2cri s ILE 100 Ca -0.09 0.14 -0.17 0.00 -1.41 0.00 0.00 60.65 59.12 2cri s ILE 100 Cb -0.08 -0.44 -0.10 0.00 0.13 0.00 0.00 42.46 41.96 2cri s ILE 100 CO -0.13 0.06 -0.08 0.49 -1.91 0.00 0.00 174.94 173.37 2cri n PHE 101 N 4.32 -2.79 -4.09 3.50 3.72 -1.26 -0.58 117.46 120.28 2cri n PHE 101 Ca -0.24 0.27 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 2cri n PHE 101 Cb 0.53 -1.70 -0.08 0.00 -0.94 0.00 0.00 39.48 37.30 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 -1.99 3.61 0.90 4.37 0.00 -0.43 -4.49 121.76 123.74 2cri s ALA 102 Ca 0.55 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 2cri s ALA 102 Cb -0.35 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.14 2cri s ALA 102 CO 0.68 0.58 1.09 -1.25 0.00 0.00 0.00 175.76 176.87 2cri s PRO 103 N -0.89 1.19 0.37 0.00 0.04 -1.26 -4.83 135.00 129.62 2cri s PRO 103 Ca 0.14 0.79 0.28 0.00 0.04 0.00 0.00 61.00 62.25 2cri s PRO 103 Cb -0.12 -1.80 1.15 0.00 0.04 0.00 0.00 34.50 33.77 2cri s PRO 103 CO 0.03 -2.28 1.82 -1.00 0.04 0.00 0.00 177.00 175.61 2cri h PRO 104 N -1.58 0.00 0.00 0.56 0.13 -1.99 -2.77 132.00 126.35 2cri h PRO 104 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2cri h PRO 104 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2cri h PRO 104 CO 0.55 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.33 2cri n ASN 105 N -2.57 2.24 -4.43 1.44 3.02 -1.26 -5.03 115.26 108.67 2cri n ASN 105 Ca 0.01 -3.21 -0.47 0.00 -0.03 0.00 0.00 54.58 50.88 2cri n ASN 105 Cb 0.25 -0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.38 0.02 0.03 2.41 0.13 -1.05 -4.67 119.36 114.84 2cri n ILE 106 Ca 0.16 -0.13 0.00 0.00 -1.10 0.00 0.00 62.75 61.68 2cri n ILE 106 Cb 0.65 -0.94 0.00 0.00 -0.84 0.00 0.00 39.64 38.51 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 2cri n SER 107 N 10.26 0.43 -4.27 9.51 7.64 -1.26 -4.95 113.62 130.98 2cri n SER 107 Ca 0.56 0.08 -0.44 0.00 1.01 0.00 0.00 58.87 60.08 2cri n SER 107 Cb 0.10 -0.11 -0.05 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 -5.39 6.26 0.25 6.43 1.11 -1.26 -4.93 116.67 119.14 2cri s ASP 108 Ca 0.00 -2.49 -0.03 0.00 0.18 0.00 0.00 52.55 50.21 2cri s ASP 108 Cb 0.00 -2.12 0.51 0.00 1.07 0.00 0.00 42.92 42.38 2cri s ASP 108 CO 0.00 -0.59 1.72 0.24 1.18 0.00 0.00 175.17 177.71 2cri h MET 109 N 7.89 0.40 -0.89 8.23 2.86 -1.99 0.15 114.93 131.58 2cri h MET 109 Ca -0.02 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2cri h MET 109 Cb 1.04 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.54 2cri h MET 109 CO 0.80 0.26 0.57 1.05 1.06 0.00 0.00 176.91 180.66 2cri h GLU 110 N 0.41 0.84 -0.36 1.72 4.11 -2.00 -1.52 114.58 117.78 2cri h GLU 110 Ca 0.44 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.72 2cri h GLU 110 Cb 0.72 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2cri h GLU 110 CO -0.44 0.55 -0.17 0.00 0.07 0.00 0.00 179.01 179.02 2cri h ALA 111 N 1.56 0.51 0.67 1.06 0.00 -1.15 -2.76 119.26 119.15 2cri h ALA 111 Ca 0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2cri h ALA 111 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cri h ALA 111 CO -0.18 0.44 -0.40 0.28 0.00 0.00 0.00 179.25 179.39 2cri h VAL 112 N 0.55 0.00 -1.01 0.00 2.07 -0.57 0.23 116.25 117.52 2cri h VAL 112 Ca 0.08 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.87 2cri h VAL 112 Cb 0.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2cri h VAL 112 CO 0.05 0.00 0.69 -0.50 0.02 0.00 0.00 177.57 177.83 2cri h TRP 113 N -0.99 0.29 0.40 1.57 4.06 -1.46 0.29 115.95 120.11 2cri h TRP 113 Ca -0.09 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2cri h TRP 113 Cb 0.79 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 2cri h TRP 113 CO -0.05 0.04 -0.19 0.87 -3.56 0.00 0.00 178.44 175.55 2cri h LYS 114 N 0.19 -0.52 -0.01 0.49 1.57 -1.13 -3.21 116.57 113.95 2cri h LYS 114 Ca 0.52 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2cri h LYS 114 Cb 1.68 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 2cri h LYS 114 CO -0.12 -0.25 0.01 0.93 -0.57 0.00 0.00 179.45 179.45 2cri h GLU 115 N -1.05 0.00 -6.52 3.15 5.08 -0.02 -3.42 114.58 111.81 2cri h GLU 115 Ca -0.06 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.78 2cri h GLU 115 Cb 0.51 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.80 2cri h GLU 115 CO 0.09 0.00 1.11 0.00 -1.00 0.00 0.00 179.01 179.21 2cri s ALA 116 N -5.02 3.77 0.43 3.43 0.00 0.93 -4.98 121.76 120.32 2cri s ALA 116 Ca -0.05 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 2cri s ALA 116 Cb 0.17 -3.76 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 2cri s ALA 116 CO 0.66 -1.22 0.79 0.15 0.00 0.00 0.00 175.76 176.14 2cri s LYS 117 N 2.69 3.75 0.00 0.00 -0.14 -1.26 -4.95 119.74 119.83 2cri s LYS 117 Ca 0.81 0.47 0.15 0.00 -1.36 0.00 0.00 55.97 56.04 2cri s LYS 117 Cb -0.46 -2.36 0.85 0.00 -1.68 0.00 0.00 37.83 34.18 2cri s LYS 117 CO 0.36 -0.09 1.37 -0.35 -0.76 0.00 0.00 175.35 175.88 2cri n PRO 118 N -1.51 0.37 0.01 -1.68 -0.04 -1.26 -1.66 135.00 129.23 2cri n PRO 118 Ca 0.02 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2cri n PRO 118 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2cri n PRO 118 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cri n ASP 119 N -1.12 0.23 -0.00 3.54 9.92 -1.26 -4.30 116.55 123.56 2cri n ASP 119 Ca 0.10 -0.05 0.06 0.00 -0.53 0.00 0.00 54.79 54.37 2cri n ASP 119 Cb 0.08 1.65 -0.08 0.00 -0.64 0.00 0.00 41.12 42.13 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cri n GLU 120 N -2.24 2.14 -2.76 -1.24 -0.58 -0.84 -4.96 120.64 110.15 2cri n GLU 120 Ca -0.02 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 2cri n GLU 120 Cb 0.54 -1.14 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 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 -3.00 4.30 -0.11 -4.62 1.43 -0.67 -4.97 118.68 111.05 2cri s LEU 121 Ca 0.02 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 2cri s LEU 121 Cb 0.09 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2cri s LEU 121 CO 0.50 -0.32 0.24 -0.04 0.23 0.00 0.00 176.35 176.97 2cri s MET 122 N 1.44 3.86 0.35 1.70 -1.94 -1.16 -4.95 119.30 118.62 2cri s MET 122 Ca 0.47 0.05 0.06 0.00 -1.71 0.00 0.00 55.69 54.56 2cri s MET 122 Cb -0.19 -3.29 -0.07 0.00 2.01 0.00 0.00 34.83 33.29 2cri s MET 122 CO 0.22 0.55 -0.01 0.34 -0.01 0.00 0.00 175.02 176.11 2cri s ASP 123 N -0.46 3.20 -0.05 3.03 2.15 -1.26 -0.51 116.67 122.77 2cri s ASP 123 Ca 0.17 -1.31 -0.02 0.00 0.43 0.00 0.00 52.55 51.81 2cri s ASP 123 Cb -0.13 -0.26 0.04 0.00 -0.30 0.00 0.00 42.92 42.27 2cri s ASP 123 CO 0.05 -0.44 0.10 -0.94 -0.17 0.00 0.00 175.17 173.78 2cri s SER 124 N -3.58 0.49 -0.38 -0.34 1.04 0.48 -4.89 113.70 106.52 2cri s SER 124 Ca 0.34 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 2cri s SER 124 Cb 0.07 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2cri s SER 124 CO 0.16 -0.20 0.98 -0.75 0.98 0.00 0.00 173.24 174.41 2cri s LYS 125 N 1.71 3.84 0.09 4.02 2.47 -1.26 -1.95 119.74 128.65 2cri s LYS 125 Ca -0.02 0.63 0.06 0.00 -1.56 0.00 0.00 55.97 55.07 2cri s LYS 125 Cb -0.12 -3.82 -0.03 0.00 -1.46 0.00 0.00 37.83 32.40 2cri s LYS 125 CO -0.04 -1.02 -0.15 -1.17 0.16 0.00 0.00 175.35 173.12 2cri s LEU 126 N 3.66 2.31 0.01 5.43 0.20 0.14 -5.03 118.68 125.40 2cri s LEU 126 Ca 0.41 -0.67 0.06 0.00 0.69 0.00 0.00 54.13 54.61 2cri s LEU 126 Cb -0.11 -0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 45.06 2cri s LEU 126 CO 0.21 -0.07 -0.17 0.00 -0.29 0.00 0.00 176.35 176.02 2cri s ARG 127 N -1.97 1.32 -0.21 1.98 1.70 -1.26 -0.75 118.95 119.75 2cri s ARG 127 Ca 0.01 -0.69 -0.10 0.00 -0.47 0.00 0.00 55.73 54.48 2cri s ARG 127 Cb -0.09 -1.31 -0.05 0.00 -0.57 0.00 0.00 34.95 32.93 2cri s ARG 127 CO 0.03 0.35 0.13 0.00 -1.08 0.00 0.00 175.30 174.73 2cri s VAL 129 N 0.65 5.25 -0.46 0.00 1.01 -0.12 -4.94 120.40 121.78 2cri s VAL 129 Ca 0.07 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2cri s VAL 129 Cb -0.12 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.76 2cri s VAL 129 CO 0.01 0.54 0.37 -0.36 0.00 0.00 0.00 175.10 175.66 2cri s PHE 130 N -1.12 3.26 0.09 5.22 0.08 -1.26 -1.74 117.98 122.52 2cri s PHE 130 Ca 0.22 -1.05 0.06 0.00 0.12 0.00 0.00 56.93 56.27 2cri s PHE 130 Cb -0.14 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 2cri s PHE 130 CO 0.11 -0.81 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.16 2cri s GLU 131 N 1.60 2.38 -0.02 0.44 2.02 -0.71 -4.97 118.70 119.44 2cri s GLU 131 Ca 0.04 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 54.06 2cri s GLU 131 Cb -0.24 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.55 2cri s GLU 131 CO 0.06 0.53 0.14 0.00 0.02 0.00 0.00 175.26 176.01 2cri s MET 132 N -2.19 0.38 0.90 1.61 0.23 -1.26 -0.62 119.30 118.35 2cri s MET 132 Ca 0.23 -0.20 -0.12 0.00 -1.03 0.00 0.00 55.69 54.58 2cri s MET 132 Cb -0.11 0.16 0.13 0.00 -1.53 0.00 0.00 34.83 33.48 2cri s MET 132 CO 0.15 -0.08 1.09 -1.25 -2.03 0.00 0.00 175.02 172.91 2cri s PRO 133 N -0.89 1.22 0.07 3.16 0.04 -1.26 -4.86 135.00 132.48 2cri s PRO 133 Ca -0.10 0.81 -0.33 0.00 0.04 0.00 0.00 61.00 61.42 2cri s PRO 133 Cb -0.05 -1.81 -0.16 0.00 0.04 0.00 0.00 34.50 32.52 2cri s PRO 133 CO 0.01 -2.26 1.50 -0.91 0.04 0.00 0.00 177.00 175.38 2cri h ASN 134 N -1.56 -1.18 -0.36 6.66 4.21 -2.02 -3.40 115.58 117.93 2cri h ASN 134 Ca -0.50 0.08 -0.49 0.00 1.21 0.00 0.00 56.30 56.61 2cri h ASN 134 Cb 1.29 0.37 -0.07 0.00 -1.12 0.00 0.00 38.32 38.78 2cri h ASN 134 CO 0.55 -0.64 1.73 -1.84 -1.29 0.00 0.00 177.43 175.93 2cri n GLU 135 N -5.21 0.24 -1.06 0.81 0.28 -1.26 -4.74 120.64 109.70 2cri n GLU 135 Ca -0.12 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.69 2cri n GLU 135 Cb 0.43 -1.94 0.18 0.00 1.43 0.00 0.00 31.44 31.55 2cri n GLU 135 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2cri n ASN 136 N 11.70 3.85 -4.53 -1.84 0.23 -1.26 -4.94 115.26 118.47 2cri n ASN 136 Ca 0.59 -3.36 -0.25 0.00 -0.53 0.00 0.00 54.58 51.04 2cri n ASN 136 Cb 0.15 -0.79 -0.13 0.00 -2.08 0.00 0.00 39.78 36.94 2cri n ASN 136 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2cri n ASP 137 N -0.78 0.62 -4.67 0.53 9.92 -1.26 -4.88 116.55 116.02 2cri n ASP 137 Ca 0.50 -0.74 -0.36 0.00 -0.53 0.00 0.00 54.79 53.65 2cri n ASP 137 Cb 1.49 -1.17 -0.09 0.00 -0.64 0.00 0.00 41.12 40.71 2cri n ASP 137 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2cri s LYS 138 N 8.22 4.10 -0.37 -1.24 2.47 -1.26 -5.06 119.74 126.61 2cri s LYS 138 Ca 1.13 -0.22 -0.26 0.00 -1.56 0.00 0.00 55.97 55.07 2cri s LYS 138 Cb -0.55 -3.52 0.01 0.00 -1.46 0.00 0.00 37.83 32.31 2cri s LYS 138 CO 0.34 0.09 0.91 -1.17 0.16 0.00 0.00 175.35 175.68 2cri s LEU 139 N 0.96 4.01 0.27 5.43 0.20 -1.26 -5.03 118.68 123.26 2cri s LEU 139 Ca 0.09 0.56 0.09 0.00 0.69 0.00 0.00 54.13 55.56 2cri s LEU 139 Cb -0.13 -3.24 -0.05 0.00 -0.43 0.00 0.00 46.19 42.33 2cri s LEU 139 CO 0.04 -0.85 -0.13 0.54 -0.29 0.00 0.00 176.35 175.66 2cri s ASN 140 N 1.88 3.11 -0.39 3.68 4.22 -1.26 -5.06 114.94 121.12 2cri s ASN 140 Ca 0.37 -1.10 0.05 0.00 -2.14 0.00 0.00 52.86 50.05 2cri s ASN 140 Cb -0.12 -0.23 0.45 0.00 1.28 0.00 0.00 41.25 42.63 2cri s ASN 140 CO 0.19 -0.16 1.34 0.47 -2.04 0.00 0.00 177.10 176.89 2cri n ASP 141 N -0.57 5.41 -4.76 3.54 8.00 -1.26 -5.06 116.55 121.86 2cri n ASP 141 Ca -0.06 -3.75 -0.33 0.00 0.71 0.00 0.00 54.79 51.35 2cri n ASP 141 Cb 0.62 -0.48 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2cri n ASP 141 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2cri s SER 142 N -3.24 4.88 0.00 -2.24 1.04 -1.26 -4.89 113.70 107.99 2cri s SER 142 Ca 0.53 2.09 0.00 0.00 0.48 0.00 0.00 55.95 59.05 2cri s SER 142 Cb 0.43 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2cri s SER 142 CO -0.01 -1.79 0.00 0.61 0.98 0.00 0.00 173.24 173.03 2cri n GLY 143 N -0.27 0.11 3.65 7.32 0.00 -1.26 -5.16 105.19 109.59 2cri n GLY 143 Ca 0.11 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 0.01 -0.19 1.61 0.04 -1.26 -5.05 135.00 130.16 2cri s PRO 144 Ca 0.00 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.44 2cri s PRO 144 Cb 0.00 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.87 2cri s PRO 144 CO 0.00 -2.98 -0.18 0.45 0.04 0.00 0.00 177.00 174.32 2cri s SER 145 N -3.52 3.31 -0.03 6.66 0.15 -1.26 -5.11 113.70 113.89 2cri s SER 145 Ca 0.67 -0.75 0.07 0.00 0.70 0.00 0.00 55.95 56.63 2cri s SER 145 Cb -0.17 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 2cri s SER 145 CO 0.57 -0.03 -0.24 -0.55 1.20 0.00 0.00 173.24 174.20 2cri s SER 146 N 1.27 2.85 0.00 5.45 0.15 -1.26 -5.38 113.70 116.79 2cri s SER 146 Ca 0.03 -0.45 0.15 0.00 0.70 0.00 0.00 55.95 56.37 2cri s SER 146 Cb -0.14 -0.52 0.12 0.00 -1.71 0.00 0.00 66.02 63.76 2cri s SER 146 CO -0.12 0.27 0.97 0.61 1.20 0.00 0.00 173.24 176.17