#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cee s GLN 2 N 0.00 2.56 -0.06 2.12 -1.52 -1.26 -5.08 119.66 116.42 1cee s GLN 2 Ca 0.00 -0.87 -0.03 0.00 -1.95 0.00 0.00 55.36 52.51 1cee s GLN 2 Cb 0.00 -2.53 0.04 0.00 -0.22 0.00 0.00 33.01 30.30 1cee s GLN 2 CO 0.00 0.53 0.13 0.99 -0.25 0.00 0.00 175.29 176.68 1cee s THR 3 N -1.39 -0.15 -0.18 -0.19 2.01 -1.26 -2.74 115.64 111.74 1cee s THR 3 Ca 0.26 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.40 1cee s THR 3 Cb -0.11 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1cee s THR 3 CO 0.19 0.12 0.39 -0.63 -0.69 0.00 0.00 174.62 174.00 1cee s ILE 4 N 1.76 5.22 -1.08 1.82 1.09 -1.10 -4.91 121.20 123.99 1cee s ILE 4 Ca -0.02 0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 60.20 1cee s ILE 4 Cb -0.12 -3.72 0.31 0.00 -1.06 0.00 0.00 42.46 37.86 1cee s ILE 4 CO -0.05 0.29 1.53 2.29 -0.10 0.00 0.00 174.94 178.90 1cee n LYS 5 N 4.19 4.54 -3.16 2.79 2.85 -1.26 0.10 118.16 128.22 1cee n LYS 5 Ca -0.09 -4.53 -0.32 0.00 -1.05 0.00 0.00 58.31 52.32 1cee n LYS 5 Cb 0.51 -2.52 -0.06 0.00 -0.65 0.00 0.00 35.03 32.31 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cee s VAL 7 N -1.99 0.63 0.03 0.00 1.01 -1.22 -3.03 120.40 115.84 1cee s VAL 7 Ca 0.53 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1cee s VAL 7 Cb -0.10 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1cee s VAL 7 CO 0.19 -0.05 0.51 -0.69 0.00 0.00 0.00 175.10 175.05 1cee s VAL 8 N -0.68 4.88 -0.26 2.92 1.01 0.43 -0.40 120.40 128.30 1cee s VAL 8 Ca -0.02 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1cee s VAL 8 Cb -0.06 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1cee s VAL 8 CO 0.00 0.54 0.25 0.68 0.00 0.00 0.00 175.10 176.58 1cee s VAL 9 N -0.94 -0.34 0.05 2.92 -7.23 0.22 -3.33 120.40 111.75 1cee s VAL 9 Ca 0.27 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.06 1cee s VAL 9 Cb -0.18 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1cee s VAL 9 CO 0.16 -0.41 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.67 1cee s GLY 10 N 2.32 0.47 -1.07 2.32 0.00 -1.26 -3.01 107.32 107.10 1cee s GLY 10 Ca 0.09 -0.94 -0.23 0.00 0.00 0.00 0.00 44.72 43.63 1cee s GLY 10 CO -0.26 -1.02 1.90 -0.35 0.00 0.00 0.00 173.10 173.36 1cee s ASP 11 N -2.16 5.28 1.64 1.64 -1.08 -1.26 -4.76 116.67 115.97 1cee s ASP 11 Ca -0.03 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1cee s ASP 11 Cb -0.03 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1cee s ASP 11 CO -0.04 -2.73 0.00 0.61 0.52 0.00 0.00 175.17 173.54 1cee n GLY 12 N 6.27 3.71 3.52 2.66 0.00 -1.25 -4.52 105.19 115.58 1cee n GLY 12 Ca 0.42 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee n ALA 13 N 11.77 0.57 -2.25 4.61 0.00 -1.26 -4.61 120.51 129.34 1cee n ALA 13 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.77 1cee n ALA 13 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.77 1cee n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1cee n VAL 14 N 7.48 0.00 -3.28 0.00 0.24 -1.26 -4.85 118.33 116.66 1cee n VAL 14 Ca 0.56 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 62.20 1cee n VAL 14 Cb 0.24 0.71 0.07 0.00 -1.47 0.00 0.00 33.84 33.39 1cee n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cee n GLY 15 N 0.25 -1.16 0.11 7.63 0.00 -1.26 -4.94 105.19 105.82 1cee n GLY 15 Ca -0.01 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 1cee n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cee h LYS 16 N -1.11 -0.24 0.00 1.61 1.57 -1.96 -3.13 116.57 113.32 1cee h LYS 16 Ca -0.60 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1cee h LYS 16 Cb 1.31 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1cee h LYS 16 CO 0.44 -0.16 0.00 2.41 -0.57 0.00 0.00 179.45 181.57 1cee n THR 17 N -3.09 0.77 -0.01 -0.16 -1.04 -1.26 -3.14 114.28 106.35 1cee n THR 17 Ca -0.03 0.13 -0.01 0.00 -2.04 0.00 0.00 64.05 62.10 1cee n THR 17 Cb 0.10 -1.02 -0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1cee n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee h LEU 19 N -0.64 0.51 -0.88 0.00 6.46 -1.67 -1.68 115.31 117.41 1cee h LEU 19 Ca -0.01 -0.27 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1cee h LEU 19 Cb 0.04 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1cee h LEU 19 CO 0.01 0.94 0.57 -0.07 -0.62 0.00 0.00 178.44 179.27 1cee h LEU 20 N 0.36 0.93 0.07 2.25 3.38 -1.74 -0.88 115.31 119.69 1cee h LEU 20 Ca 0.01 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1cee h LEU 20 Cb 1.04 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.61 1cee h LEU 20 CO 0.09 0.64 -0.88 0.40 0.09 0.00 0.00 178.44 178.78 1cee h ILE 21 N 1.09 1.39 0.00 1.22 1.08 -1.53 -3.14 117.51 117.61 1cee h ILE 21 Ca 0.36 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.52 1cee h ILE 21 Cb 0.03 2.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1cee h ILE 21 CO -0.12 0.68 0.00 -1.54 -0.69 0.00 0.00 178.15 176.47 1cee n SER 22 N -4.04 0.49 0.02 1.72 3.41 -0.64 0.74 113.62 115.31 1cee n SER 22 Ca -0.12 0.64 -0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1cee n SER 22 Cb 0.82 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cee h TYR 23 N 0.00 0.23 0.00 7.33 3.20 -1.17 -1.50 116.97 125.06 1cee h TYR 23 Ca 0.00 -0.17 -0.32 0.00 3.14 0.00 0.00 58.73 61.38 1cee h TYR 23 Cb 0.28 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 1cee h TYR 23 CO 0.00 1.26 -2.09 0.25 -1.64 0.00 0.00 178.16 175.94 1cee n THR 24 N -3.29 1.40 0.66 1.81 -2.24 -0.97 -4.32 114.28 107.34 1cee n THR 24 Ca -0.17 -0.82 0.08 0.00 -2.27 0.00 0.00 64.05 60.87 1cee n THR 24 Cb 1.04 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cee n THR 25 N -2.84 0.00 -2.04 4.28 -2.24 0.23 -4.96 114.28 106.70 1cee n THR 25 Ca -0.25 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1cee n THR 25 Cb 1.08 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.61 1cee n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1cee n ASN 26 N 0.80 -3.19 -4.04 3.42 3.02 -0.57 -4.91 115.26 109.80 1cee n ASN 26 Ca 0.09 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.76 1cee n ASN 26 Cb 0.39 -2.85 -0.12 0.00 -0.61 0.00 0.00 39.78 36.59 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1cee s LYS 27 N -4.25 0.48 -0.49 3.52 2.47 -1.23 -5.00 119.74 115.23 1cee s LYS 27 Ca 0.00 -0.67 -0.21 0.00 -1.56 0.00 0.00 55.97 53.54 1cee s LYS 27 Cb 0.00 -0.25 0.04 0.00 -1.46 0.00 0.00 37.83 36.17 1cee s LYS 27 CO 0.00 0.04 0.69 0.12 0.16 0.00 0.00 175.35 176.37 1cee s PHE 28 N -1.23 3.00 0.69 4.03 2.19 -1.26 -3.02 117.98 122.38 1cee s PHE 28 Ca -0.09 -0.28 -0.15 0.00 0.33 0.00 0.00 56.93 56.74 1cee s PHE 28 Cb -0.09 -3.58 0.02 0.00 -1.31 0.00 0.00 43.02 38.06 1cee s PHE 28 CO 0.00 -1.04 1.14 -1.25 1.83 0.00 0.00 175.22 175.90 1cee s PRO 29 N 2.96 2.51 -0.01 10.12 0.04 -1.26 -4.98 135.00 144.38 1cee s PRO 29 Ca 0.21 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1cee s PRO 29 Cb -0.16 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1cee s PRO 29 CO 0.16 -1.50 0.10 0.45 0.04 0.00 0.00 177.00 176.25 1cee n SER 30 N -2.58 3.91 -4.52 6.66 2.88 -1.26 -5.03 113.62 113.68 1cee n SER 30 Ca 0.11 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.30 1cee n SER 30 Cb 0.51 1.20 0.09 0.00 -0.75 0.00 0.00 64.21 65.26 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cee n GLU 31 N -1.68 0.20 -3.61 -1.46 2.13 -1.26 -5.02 120.64 109.94 1cee n GLU 31 Ca -0.01 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 57.71 1cee n GLU 31 Cb 0.14 -2.00 -0.16 0.00 0.27 0.00 0.00 31.44 29.69 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1cee s TYR 32 N -2.02 0.02 -0.27 4.31 6.14 -1.26 -5.09 117.35 119.18 1cee s TYR 32 Ca 0.66 0.06 -0.22 0.00 0.64 0.00 0.00 57.07 58.21 1cee s TYR 32 Cb -0.31 -0.52 0.08 0.00 0.42 0.00 0.00 41.96 41.63 1cee s TYR 32 CO 0.57 -0.41 0.74 0.54 0.64 0.00 0.00 175.55 177.63 1cee s VAL 33 N 2.20 0.00 0.47 3.14 0.11 -1.26 -5.15 120.40 119.91 1cee s VAL 33 Ca 0.04 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.88 1cee s VAL 33 Cb -0.14 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.58 1cee s VAL 33 CO -0.08 0.00 0.33 -2.65 -3.33 0.00 0.00 175.10 169.37 1cee n PRO 34 N 3.11 0.34 -4.13 1.54 -0.02 -1.26 -5.01 135.00 129.58 1cee n PRO 34 Ca -0.16 0.13 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 1cee n PRO 34 Cb 0.56 -1.36 -0.11 0.00 -0.02 0.00 0.00 33.50 32.57 1cee n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cee s THR 35 N -1.67 0.72 0.00 3.45 2.01 -1.26 -5.06 115.64 113.83 1cee s THR 35 Ca 0.63 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1cee s THR 35 Cb -0.55 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1cee s THR 35 CO 0.60 -0.54 0.00 0.55 -0.69 0.00 0.00 174.62 174.53 1cee n VAL 36 N 0.84 0.00 -3.64 3.82 3.14 -1.26 -4.90 118.33 116.33 1cee n VAL 36 Ca -0.18 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.14 1cee n VAL 36 Cb 0.57 -0.22 -0.07 0.00 -1.06 0.00 0.00 33.84 33.06 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1cee s PHE 37 N -1.42 -0.41 -0.14 1.45 2.19 -1.26 -2.74 117.98 115.65 1cee s PHE 37 Ca 0.00 0.94 -0.07 0.00 0.33 0.00 0.00 56.93 58.12 1cee s PHE 37 Cb 0.00 0.37 0.05 0.00 -1.31 0.00 0.00 43.02 42.13 1cee s PHE 37 CO 0.00 -0.20 0.33 -0.51 1.83 0.00 0.00 175.22 176.67 1cee s ASP 38 N 0.45 -0.38 -0.19 6.13 1.01 -1.24 -5.03 116.67 117.41 1cee s ASP 38 Ca 0.01 0.71 -0.01 0.00 0.71 0.00 0.00 52.55 53.97 1cee s ASP 38 Cb -0.05 0.60 0.00 0.00 1.01 0.00 0.00 42.92 44.49 1cee s ASP 38 CO -0.10 -0.18 -0.12 0.21 0.21 0.00 0.00 175.17 175.19 1cee s ASN 39 N 1.36 3.79 0.30 0.27 3.04 -1.26 -2.66 114.94 119.76 1cee s ASN 39 Ca -0.09 -0.49 0.07 0.00 0.04 0.00 0.00 52.86 52.39 1cee s ASN 39 Cb -0.09 -1.62 -0.06 0.00 -1.54 0.00 0.00 41.25 37.94 1cee s ASN 39 CO -0.11 0.01 -0.06 -0.31 -3.04 0.00 0.00 177.10 173.60 1cee s TYR 40 N 1.26 2.04 -0.07 0.43 2.02 -0.12 -5.01 117.35 117.90 1cee s TYR 40 Ca 0.03 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.04 1cee s TYR 40 Cb -0.14 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1cee s TYR 40 CO -0.06 0.32 -0.00 0.00 -1.57 0.00 0.00 175.55 174.24 1cee s ALA 41 N -2.96 0.70 0.00 3.71 0.00 -1.26 -0.66 121.76 121.30 1cee s ALA 41 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1cee s ALA 41 Cb 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1cee s ALA 41 CO 0.13 -0.43 0.12 0.08 0.00 0.00 0.00 175.76 175.65 1cee s VAL 42 N 1.91 4.96 -0.34 0.00 1.01 -0.76 -4.91 120.40 122.28 1cee s VAL 42 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1cee s VAL 42 Cb -0.12 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1cee s VAL 42 CO -0.05 0.32 0.10 -0.89 0.00 0.00 0.00 175.10 174.58 1cee s THR 43 N -1.26 3.53 0.25 3.92 2.01 -1.26 0.12 115.64 122.94 1cee s THR 43 Ca 0.25 -1.34 0.11 0.00 0.31 0.00 0.00 61.69 61.02 1cee s THR 43 Cb -0.12 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1cee s THR 43 CO 0.17 -0.25 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.96 1cee s VAL 44 N 1.33 2.31 -0.98 3.82 1.01 -0.99 -4.93 120.40 121.96 1cee s VAL 44 Ca -0.01 -2.29 -0.18 0.00 0.00 0.00 0.00 61.98 59.50 1cee s VAL 44 Cb -0.20 -2.21 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1cee s VAL 44 CO 0.01 -0.38 1.19 -0.04 0.00 0.00 0.00 175.10 175.88 1cee s MET 45 N -3.35 3.69 -0.28 2.72 -1.94 -1.26 0.70 119.30 119.59 1cee s MET 45 Ca 0.27 -1.91 -0.10 0.00 -1.71 0.00 0.00 55.69 52.23 1cee s MET 45 Cb -0.05 -4.95 -0.04 0.00 2.01 0.00 0.00 34.83 31.80 1cee s MET 45 CO 0.12 -1.78 0.17 0.42 -0.01 0.00 0.00 175.02 173.94 1cee s ILE 46 N 2.51 5.09 -0.92 2.53 1.01 -0.21 -4.30 121.20 126.91 1cee s ILE 46 Ca 0.35 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1cee s ILE 46 Cb -0.04 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1cee s ILE 46 CO -0.08 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1cee n GLY 47 N 5.03 0.78 2.00 6.18 0.00 -1.26 -2.92 105.19 115.00 1cee n GLY 47 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1cee n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLY 48 N -1.63 0.37 3.26 -0.02 0.00 -1.26 -5.06 105.19 100.86 1cee n GLY 48 Ca -0.10 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1cee n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cee s GLU 49 N -3.96 0.56 -1.04 1.61 2.02 -1.15 -5.08 118.70 111.66 1cee s GLU 49 Ca 0.00 0.19 -0.24 0.00 0.02 0.00 0.00 54.97 54.94 1cee s GLU 49 Cb 0.00 0.26 -0.11 0.00 0.10 0.00 0.00 34.13 34.39 1cee s GLU 49 CO 0.00 -0.12 2.02 -1.25 0.02 0.00 0.00 175.26 175.93 1cee s PRO 50 N -0.54 2.18 0.80 0.39 0.04 -1.26 -1.04 135.00 135.56 1cee s PRO 50 Ca -0.07 -0.60 -0.13 0.00 0.04 0.00 0.00 61.00 60.24 1cee s PRO 50 Cb -0.04 -5.09 0.18 0.00 0.04 0.00 0.00 34.50 29.59 1cee s PRO 50 CO 0.03 -4.13 1.09 0.66 0.04 0.00 0.00 177.00 174.68 1cee n TYR 51 N 15.70 -3.98 -3.65 0.56 4.02 0.22 -4.49 117.16 125.53 1cee n TYR 51 Ca 0.43 -0.98 -0.19 0.00 -0.01 0.00 0.00 57.90 57.15 1cee n TYR 51 Cb 0.46 -0.84 -0.17 0.00 -0.02 0.00 0.00 39.34 38.77 1cee n TYR 51 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1cee s THR 52 N -3.38 -0.18 -0.01 -0.72 2.01 -1.11 -2.36 115.64 109.90 1cee s THR 52 Ca 0.62 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 1cee s THR 52 Cb -0.02 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 1cee s THR 52 CO 0.43 0.09 0.74 -0.22 -0.69 0.00 0.00 174.62 174.98 1cee s LEU 53 N 2.22 4.39 -0.61 4.42 2.96 0.31 -2.71 118.68 129.67 1cee s LEU 53 Ca 0.04 1.34 -0.22 0.00 -0.22 0.00 0.00 54.13 55.07 1cee s LEU 53 Cb -0.13 -3.17 0.07 0.00 0.50 0.00 0.00 46.19 43.46 1cee s LEU 53 CO -0.05 -0.05 0.86 -0.83 -1.32 0.00 0.00 176.35 174.96 1cee s GLY 54 N 0.34 1.52 -0.36 7.98 0.00 0.28 -1.82 107.32 115.26 1cee s GLY 54 Ca 0.38 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 43.08 1cee s GLY 54 CO 0.21 1.88 0.69 1.08 0.00 0.00 0.00 173.10 176.96 1cee s LEU 55 N 3.56 4.21 -0.05 0.66 1.43 0.17 -2.74 118.68 125.92 1cee s LEU 55 Ca 0.20 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1cee s LEU 55 Cb -0.18 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1cee s LEU 55 CO 0.11 -0.64 -0.11 -0.36 0.23 0.00 0.00 176.35 175.58 1cee s PHE 56 N 2.85 1.21 -0.10 0.29 0.40 -1.17 -0.94 117.98 120.52 1cee s PHE 56 Ca 0.27 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1cee s PHE 56 Cb -0.14 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.50 1cee s PHE 56 CO 0.15 -0.19 -0.22 0.34 0.70 0.00 0.00 175.22 176.00 1cee s ASP 57 N 0.47 2.94 0.16 1.36 2.15 -1.09 -0.43 116.67 122.24 1cee s ASP 57 Ca -0.09 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.39 1cee s ASP 57 Cb -0.13 -1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 41.11 1cee s ASP 57 CO 0.02 0.13 0.26 0.42 -0.17 0.00 0.00 175.17 175.83 1cee s THR 58 N 0.46 5.14 1.22 1.71 -4.23 -1.21 -3.68 115.64 115.05 1cee s THR 58 Ca -0.17 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.34 1cee s THR 58 Cb -0.17 -3.66 0.30 0.00 1.34 0.00 0.00 72.50 70.30 1cee s THR 58 CO 0.07 -0.13 0.68 0.00 -0.54 0.00 0.00 174.62 174.70 1cee n ALA 59 N -0.62 -4.12 -2.18 3.99 0.00 -1.11 -4.88 120.51 111.58 1cee n ALA 59 Ca -0.07 -1.20 0.05 0.00 0.00 0.00 0.00 53.44 52.21 1cee n ALA 59 Cb 0.55 -0.11 0.08 0.00 0.00 0.00 0.00 19.45 19.97 1cee n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cee n GLY 60 N -4.13 2.36 3.43 0.00 0.00 -1.26 -4.81 105.19 100.78 1cee n GLY 60 Ca 0.11 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1cee n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cee n GLN 61 N -0.06 0.66 -0.07 1.61 1.13 -1.26 -3.88 117.38 115.50 1cee n GLN 61 Ca 0.10 -3.52 -0.06 0.00 -1.94 0.00 0.00 57.00 51.59 1cee n GLN 61 Cb 0.98 1.55 -0.16 0.00 0.11 0.00 0.00 30.24 32.72 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1cee n GLU 62 N -1.04 0.68 0.28 -1.09 2.13 -1.26 -4.26 120.64 116.08 1cee n GLU 62 Ca -0.11 -0.02 0.14 0.00 0.66 0.00 0.00 57.16 57.83 1cee n GLU 62 Cb 0.62 -1.55 0.83 0.00 0.27 0.00 0.00 31.44 31.61 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1cee h ASP 63 N 0.00 0.00 -0.63 4.31 5.19 -2.04 -0.94 116.42 122.31 1cee h ASP 63 Ca -0.42 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.75 1cee h ASP 63 Cb 1.98 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.35 1cee h ASP 63 CO 0.03 0.05 0.31 -1.22 -3.12 0.00 0.00 179.24 175.28 1cee n TYR 64 N -3.80 2.03 0.18 4.55 4.02 -1.26 -4.33 117.16 118.54 1cee n TYR 64 Ca -0.03 -1.15 0.02 0.00 -0.01 0.00 0.00 57.90 56.74 1cee n TYR 64 Cb 0.14 -0.64 0.33 0.00 -0.02 0.00 0.00 39.34 39.15 1cee n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1cee h ASP 65 N 1.59 0.00 -0.26 7.72 2.03 -1.40 -0.32 116.42 125.79 1cee h ASP 65 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1cee h ASP 65 Cb 2.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.60 1cee h ASP 65 CO 0.66 0.42 0.16 0.03 -1.03 0.00 0.00 179.24 179.48 1cee h ARG 66 N 0.00 0.35 -0.53 4.15 2.47 -1.83 -2.77 114.38 116.22 1cee h ARG 66 Ca -0.00 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.55 1cee h ARG 66 Cb 0.79 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.95 1cee h ARG 66 CO 0.06 0.25 0.12 1.47 0.56 0.00 0.00 179.97 182.43 1cee n LEU 67 N -4.89 5.12 0.05 3.04 -0.00 -1.17 -4.64 117.00 114.51 1cee n LEU 67 Ca -0.02 -3.24 -0.04 0.00 -0.00 0.00 0.00 56.01 52.70 1cee n LEU 67 Cb 0.04 -0.67 -0.02 0.00 -0.00 0.00 0.00 43.42 42.77 1cee n LEU 67 CO 0.34 0.83 0.11 -0.09 -0.00 0.00 0.00 177.39 178.59 1cee h ARG 68 N 2.21 -0.23 0.00 1.47 2.43 -0.75 -3.33 114.38 116.18 1cee h ARG 68 Ca 0.17 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1cee h ARG 68 Cb 1.95 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1cee h ARG 68 CO 0.52 -0.13 -0.03 -1.00 -1.51 0.00 0.00 179.97 177.82 1cee h PRO 69 N -1.06 0.00 -0.51 0.20 0.13 -1.83 -2.91 132.00 126.02 1cee h PRO 69 Ca -0.02 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.25 1cee h PRO 69 Cb 0.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1cee h PRO 69 CO 0.04 0.03 0.65 1.25 -0.23 0.00 0.00 178.00 179.74 1cee h LEU 70 N 0.00 0.00 -2.69 1.56 5.85 -1.85 0.63 115.31 118.82 1cee h LEU 70 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cee h LEU 70 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1cee h LEU 70 CO 0.00 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.90 1cee n SER 71 N -3.47 4.15 -2.19 1.25 7.64 -1.10 -4.31 113.62 115.59 1cee n SER 71 Ca 0.10 -2.52 -0.25 0.00 1.01 0.00 0.00 58.87 57.21 1cee n SER 71 Cb 0.84 -0.57 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1cee n TYR 72 N 0.63 2.99 -1.76 1.43 4.01 0.22 -4.89 117.16 119.80 1cee n TYR 72 Ca 0.20 -2.54 -0.29 0.00 -0.16 0.00 0.00 57.90 55.11 1cee n TYR 72 Cb 0.84 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.56 1cee n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1cee s PRO 73 N -3.58 2.17 -1.18 -0.72 0.04 -1.26 -3.21 135.00 127.26 1cee s PRO 73 Ca 0.50 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1cee s PRO 73 Cb 0.41 -4.67 0.09 0.00 0.04 0.00 0.00 34.50 30.37 1cee s PRO 73 CO -0.04 -3.47 0.42 1.04 0.04 0.00 0.00 177.00 174.99 1cee n GLN 74 N 8.98 -2.77 -1.52 4.56 1.13 -1.26 -4.75 117.38 121.75 1cee n GLN 74 Ca 0.36 0.33 -0.56 0.00 -1.94 0.00 0.00 57.00 55.19 1cee n GLN 74 Cb 0.50 -4.97 -0.07 0.00 0.11 0.00 0.00 30.24 25.81 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1cee n THR 75 N -3.70 0.21 0.00 5.09 -1.04 -1.20 -4.92 114.28 108.72 1cee n THR 75 Ca 0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1cee n THR 75 Cb 0.52 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1cee n THR 75 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1cee n ASP 76 N 1.79 0.00 -4.80 8.00 -0.08 -1.14 -4.94 116.55 115.38 1cee n ASP 76 Ca 0.19 0.63 -0.27 0.00 -1.51 0.00 0.00 54.79 53.83 1cee n ASP 76 Cb 0.13 -0.46 -0.05 0.00 2.34 0.00 0.00 41.12 43.07 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1cee s VAL 77 N -1.58 1.82 0.03 5.18 0.11 -1.26 -3.30 120.40 121.40 1cee s VAL 77 Ca 0.00 -1.69 -0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1cee s VAL 77 Cb 0.00 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 1cee s VAL 77 CO 0.00 0.00 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.38 1cee s PHE 78 N -2.72 0.32 -0.38 1.54 0.40 -1.16 -3.37 117.98 112.61 1cee s PHE 78 Ca 0.31 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1cee s PHE 78 Cb 0.01 -0.23 0.08 0.00 0.51 0.00 0.00 43.02 43.39 1cee s PHE 78 CO 0.18 -0.22 0.16 -0.51 0.70 0.00 0.00 175.22 175.52 1cee s LEU 79 N -1.75 4.81 -0.91 -0.37 1.43 0.47 -2.19 118.68 120.18 1cee s LEU 79 Ca -0.11 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 51.25 1cee s LEU 79 Cb -0.06 -1.85 0.24 0.00 0.03 0.00 0.00 46.19 44.54 1cee s LEU 79 CO -0.03 -0.45 0.86 -0.69 0.23 0.00 0.00 176.35 176.27 1cee s VAL 80 N 1.27 5.59 -0.43 -1.59 1.01 -1.13 0.73 120.40 125.85 1cee s VAL 80 Ca 0.03 -2.86 -0.24 0.00 0.00 0.00 0.00 61.98 58.90 1cee s VAL 80 Cb -0.22 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1cee s VAL 80 CO -0.01 -1.07 0.86 0.00 0.00 0.00 0.00 175.10 174.87 1cee s PHE 82 N 3.47 2.76 -0.20 0.00 -0.71 -1.09 -4.19 117.98 118.01 1cee s PHE 82 Ca 0.34 -0.71 -0.34 0.00 -1.04 0.00 0.00 56.93 55.18 1cee s PHE 82 Cb -0.11 -1.81 -0.11 0.00 -1.21 0.00 0.00 43.02 39.78 1cee s PHE 82 CO 0.23 -0.24 2.01 0.43 -1.34 0.00 0.00 175.22 176.30 1cee n SER 83 N 3.49 2.94 0.24 1.98 7.64 -1.26 -3.12 113.62 125.53 1cee n SER 83 Ca -0.18 0.71 0.07 0.00 1.01 0.00 0.00 58.87 60.47 1cee n SER 83 Cb 0.53 -1.34 0.58 0.00 -1.01 0.00 0.00 64.21 62.97 1cee n SER 83 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cee h VAL 84 N 6.17 1.05 -0.34 0.44 2.07 -1.65 -0.87 116.25 123.12 1cee h VAL 84 Ca -0.41 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1cee h VAL 84 Cb 1.29 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1cee h VAL 84 CO 0.97 0.08 0.02 1.33 0.02 0.00 0.00 177.57 179.99 1cee n VAL 85 N -4.43 1.62 -3.38 2.57 0.24 -1.26 0.81 118.33 114.50 1cee n VAL 85 Ca -0.03 -0.82 -0.13 0.00 -2.04 0.00 0.00 64.34 61.33 1cee n VAL 85 Cb 0.16 -0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 1cee n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cee s SER 86 N -0.43 0.85 0.53 -1.34 0.15 -0.33 -3.63 113.70 109.50 1cee s SER 86 Ca 0.31 -0.25 0.35 0.00 0.70 0.00 0.00 55.95 57.07 1cee s SER 86 Cb 0.24 0.83 1.61 0.00 -1.71 0.00 0.00 66.02 66.98 1cee s SER 86 CO 0.09 -0.34 2.04 1.55 1.20 0.00 0.00 173.24 177.78 1cee h PRO 87 N 8.22 0.00 0.49 5.44 0.13 -1.77 -3.25 132.00 141.26 1cee h PRO 87 Ca -0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1cee h PRO 87 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1cee h PRO 87 CO 0.29 0.00 -0.42 1.03 -0.23 0.00 0.00 178.00 178.67 1cee h SER 88 N 0.00 -1.14 -0.53 1.44 0.87 -1.95 1.26 113.55 113.51 1cee h SER 88 Ca 0.00 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1cee h SER 88 Cb 0.32 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 62.58 1cee h SER 88 CO 0.00 -0.58 0.17 -1.28 -0.53 0.00 0.00 176.83 174.60 1cee h SER 89 N -0.89 0.13 -0.75 6.23 0.87 -1.88 0.15 113.55 117.41 1cee h SER 89 Ca -0.06 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1cee h SER 89 Cb 0.76 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 1cee h SER 89 CO -0.01 0.10 0.50 0.15 -0.53 0.00 0.00 176.83 177.03 1cee h PHE 90 N 0.33 0.90 -0.04 2.24 3.04 -1.55 1.00 116.94 122.87 1cee h PHE 90 Ca 0.26 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.21 1cee h PHE 90 Cb 0.32 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1cee h PHE 90 CO -0.18 0.54 -0.08 0.93 -2.02 0.00 0.00 178.31 177.50 1cee h GLU 91 N 0.95 0.05 0.12 1.11 4.39 0.36 -2.14 114.58 119.43 1cee h GLU 91 Ca 0.29 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.63 1cee h GLU 91 Cb -0.01 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1cee h GLU 91 CO -0.08 0.14 -1.96 0.09 -1.16 0.00 0.00 179.01 176.05 1cee n ASN 92 N -4.41 2.11 -0.33 1.42 3.02 0.00 -3.06 115.26 114.02 1cee n ASN 92 Ca -0.02 0.22 0.28 0.00 -0.03 0.00 0.00 54.58 55.03 1cee n ASN 92 Cb 0.18 -0.87 0.61 0.00 -0.61 0.00 0.00 39.78 39.08 1cee n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1cee h VAL 93 N 0.00 0.45 0.00 2.41 2.07 0.12 1.79 116.25 123.10 1cee h VAL 93 Ca -0.42 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1cee h VAL 93 Cb 1.99 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1cee h VAL 93 CO 0.07 0.04 -1.12 0.07 0.02 0.00 0.00 177.57 176.65 1cee h LYS 94 N 0.23 0.00 -1.67 1.57 2.10 -1.53 -3.13 116.57 114.13 1cee h LYS 94 Ca 0.60 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.80 1cee h LYS 94 Cb 1.85 0.00 -0.36 0.00 -0.90 0.00 0.00 32.23 32.82 1cee h LYS 94 CO -0.20 0.12 -1.06 0.39 -2.00 0.00 0.00 179.45 176.70 1cee n GLU 95 N -2.78 0.93 0.00 0.07 1.02 0.33 -4.77 120.64 115.44 1cee n GLU 95 Ca -0.04 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 1cee n GLU 95 Cb 0.66 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cee n LYS 96 N 0.49 0.00 0.05 3.49 5.02 0.52 -4.64 118.16 123.09 1cee n LYS 96 Ca 0.21 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.45 1cee n LYS 96 Cb 0.65 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.56 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1cee h TRP 97 N 0.00 0.00 0.72 2.13 4.06 -1.54 -3.16 115.95 118.16 1cee h TRP 97 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1cee h TRP 97 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1cee h TRP 97 CO 0.00 0.87 -0.38 -0.39 -3.56 0.00 0.00 178.44 174.98 1cee h VAL 98 N 0.00 0.00 -0.36 1.49 -1.51 -1.74 -3.24 116.25 110.89 1cee h VAL 98 Ca -0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.22 1cee h VAL 98 Cb 1.76 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1cee h VAL 98 CO 0.10 0.00 -0.33 1.55 -1.23 0.00 0.00 177.57 177.65 1cee h PRO 99 N -1.02 0.87 -1.09 5.19 0.13 -1.91 -2.86 132.00 131.31 1cee h PRO 99 Ca -0.10 -0.45 0.32 0.00 -0.87 0.00 0.00 66.00 64.90 1cee h PRO 99 Cb 0.79 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1cee h PRO 99 CO 0.14 1.09 0.94 1.05 -0.23 0.00 0.00 178.00 180.99 1cee h GLU 100 N 0.67 0.00 0.03 0.86 4.11 -1.60 0.45 114.58 119.10 1cee h GLU 100 Ca 0.06 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.13 1cee h GLU 100 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1cee h GLU 100 CO 0.08 0.00 -2.22 -0.89 0.07 0.00 0.00 179.01 176.05 1cee n ILE 101 N -3.81 1.56 0.24 -1.06 5.41 -1.18 -4.25 119.36 116.27 1cee n ILE 101 Ca 0.24 -0.69 0.08 0.00 1.00 0.00 0.00 62.75 63.37 1cee n ILE 101 Cb 1.29 -1.22 0.58 0.00 -0.71 0.00 0.00 39.64 39.58 1cee n ILE 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1cee h THR 102 N 0.02 0.92 0.00 1.39 1.35 -0.07 0.28 112.91 116.79 1cee h THR 102 Ca -0.49 -0.65 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1cee h THR 102 Cb 2.03 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1cee h THR 102 CO 0.01 0.17 -0.05 -0.74 -0.25 0.00 0.00 175.52 174.66 1cee h HIS 103 N 0.00 0.00 0.02 4.73 2.76 -0.65 -1.88 115.15 120.13 1cee h HIS 103 Ca -0.00 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.79 1cee h HIS 103 Cb 0.36 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 1cee h HIS 103 CO 0.00 0.05 -2.32 1.58 -1.30 0.00 0.00 177.93 175.94 1cee n HIS 104 N -4.43 0.31 -3.28 5.26 -0.00 -0.78 -4.88 115.22 107.42 1cee n HIS 104 Ca -0.03 0.08 -0.07 0.00 -0.00 0.00 0.00 57.72 57.70 1cee n HIS 104 Cb 0.13 -1.04 -0.04 0.00 -0.00 0.00 0.00 29.99 29.04 1cee n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cee n PRO 106 N 4.61 0.92 -0.05 0.00 -0.04 -0.73 -3.23 135.00 136.48 1cee n PRO 106 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1cee n PRO 106 Cb 0.51 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 1cee n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1cee n LYS 107 N -0.78 2.27 -1.64 0.54 0.00 -1.26 -5.00 118.16 112.28 1cee n LYS 107 Ca 0.12 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.00 1cee n LYS 107 Cb 0.06 -1.25 -0.01 0.00 -0.00 0.00 0.00 35.03 33.82 1cee n LYS 107 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cee n THR 108 N -2.39 2.03 -1.70 0.58 -2.24 -1.20 -4.91 114.28 104.44 1cee n THR 108 Ca -0.17 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 1cee n THR 108 Cb 0.82 -1.29 0.06 0.00 -2.10 0.00 0.00 70.33 67.82 1cee n THR 108 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cee n PRO 109 N 0.60 1.13 -3.61 -0.78 -0.04 -1.21 -4.97 135.00 126.11 1cee n PRO 109 Ca 0.07 0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 63.68 1cee n PRO 109 Cb 0.34 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.21 1cee n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cee s PHE 110 N -1.40 1.13 -0.20 0.54 0.08 -1.26 -2.99 117.98 113.89 1cee s PHE 110 Ca 0.80 -1.59 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 1cee s PHE 110 Cb -0.39 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1cee s PHE 110 CO 0.43 -0.84 1.40 -1.17 -0.10 0.00 0.00 175.22 174.94 1cee s LEU 111 N 1.42 4.06 -0.73 -0.37 2.96 -0.93 -2.77 118.68 122.32 1cee s LEU 111 Ca 0.13 1.62 -0.24 0.00 -0.22 0.00 0.00 54.13 55.42 1cee s LEU 111 Cb -0.19 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1cee s LEU 111 CO -0.18 -0.97 1.14 -0.22 -1.32 0.00 0.00 176.35 174.80 1cee s LEU 112 N 4.17 3.82 0.18 -0.68 2.96 -0.53 -2.84 118.68 125.75 1cee s LEU 112 Ca 0.61 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1cee s LEU 112 Cb -0.23 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 43.91 1cee s LEU 112 CO 0.22 -1.61 0.44 -0.69 -1.32 0.00 0.00 176.35 173.39 1cee s VAL 113 N 4.81 5.09 -0.15 1.68 1.01 -0.88 0.72 120.40 132.69 1cee s VAL 113 Ca 0.30 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1cee s VAL 113 Cb -0.11 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1cee s VAL 113 CO 0.10 -0.03 -0.01 -0.83 0.00 0.00 0.00 175.10 174.34 1cee s GLY 114 N -2.50 0.72 0.48 4.51 0.00 0.24 -2.68 107.32 108.09 1cee s GLY 114 Ca 0.43 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1cee s GLY 114 CO 0.24 1.17 0.58 -1.59 0.00 0.00 0.00 173.10 173.50 1cee s THR 115 N 1.82 2.54 0.00 0.90 2.01 -1.18 -0.43 115.64 121.30 1cee s THR 115 Ca 0.02 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1cee s THR 115 Cb -0.15 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1cee s THR 115 CO -0.07 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.86 1cee n GLN 116 N -1.89 0.00 0.05 4.92 1.13 -1.25 -1.77 117.38 118.58 1cee n GLN 116 Ca 0.08 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.07 1cee n GLN 116 Cb 0.61 -2.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.42 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1cee h ILE 117 N 0.00 0.46 -0.47 5.09 2.04 -1.86 0.34 117.51 123.10 1cee h ILE 117 Ca 0.00 -1.06 0.14 0.00 1.00 0.00 0.00 64.86 64.94 1cee h ILE 117 Cb 0.99 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1cee h ILE 117 CO 0.00 0.13 0.38 -2.24 0.00 0.00 0.00 178.15 176.42 1cee h ASP 118 N -1.00 0.00 0.22 1.72 2.03 -1.95 0.10 116.42 117.55 1cee h ASP 118 Ca -0.02 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.99 1cee h ASP 118 Cb 0.39 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.93 1cee h ASP 118 CO 0.04 0.00 -1.27 0.25 -1.03 0.00 0.00 179.24 177.22 1cee h LEU 119 N 0.00 0.74 -2.04 0.15 7.12 -1.95 -3.18 115.31 116.15 1cee h LEU 119 Ca 0.23 -0.93 0.08 0.00 0.13 0.00 0.00 57.88 57.39 1cee h LEU 119 Cb 0.98 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1cee h LEU 119 CO -0.00 1.62 0.37 -0.09 -0.13 0.00 0.00 178.44 180.20 1cee h ARG 120 N -0.00 0.00 -0.69 1.25 2.43 0.14 0.96 114.38 118.46 1cee h ARG 120 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1cee h ARG 120 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 1cee h ARG 120 CO 0.24 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.23 1cee n ASP 121 N -3.52 4.55 -4.27 -3.80 -0.08 -0.76 -4.77 116.55 103.89 1cee n ASP 121 Ca 0.04 -2.29 -0.43 0.00 -1.51 0.00 0.00 54.79 50.59 1cee n ASP 121 Cb 0.51 -0.56 -0.03 0.00 2.34 0.00 0.00 41.12 43.38 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1cee s ASP 122 N -0.93 6.56 0.42 1.67 1.11 0.33 -4.91 116.67 120.91 1cee s ASP 122 Ca 0.51 -3.09 0.21 0.00 0.18 0.00 0.00 52.55 50.36 1cee s ASP 122 Cb 0.31 -2.11 1.16 0.00 1.07 0.00 0.00 42.92 43.35 1cee s ASP 122 CO 0.28 -0.41 1.77 1.55 1.18 0.00 0.00 175.17 179.54 1cee h PRO 123 N 7.13 0.33 -0.94 8.23 0.13 -1.86 -0.70 132.00 144.32 1cee h PRO 123 Ca 0.11 -0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.42 1cee h PRO 123 Cb 0.95 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 31.90 1cee h PRO 123 CO 0.82 0.22 0.51 1.03 -0.23 0.00 0.00 178.00 180.35 1cee h SER 124 N 0.34 0.59 0.07 1.44 0.87 -1.94 0.99 113.55 115.90 1cee h SER 124 Ca 0.60 0.12 -0.35 0.00 -1.23 0.00 0.00 61.79 60.92 1cee h SER 124 Cb 1.62 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 1cee h SER 124 CO -0.27 0.15 -1.97 0.35 -0.53 0.00 0.00 176.83 174.56 1cee n THR 125 N -4.89 1.67 -0.11 2.23 -2.24 -0.37 -3.15 114.28 107.42 1cee n THR 125 Ca 0.22 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1cee n THR 125 Cb 0.60 -1.75 0.02 0.00 -2.10 0.00 0.00 70.33 67.10 1cee n THR 125 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cee h ILE 126 N -0.23 0.83 0.00 2.28 2.04 -0.93 0.34 117.51 121.84 1cee h ILE 126 Ca -0.46 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 1cee h ILE 126 Cb 1.84 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1cee h ILE 126 CO -0.04 0.04 -0.49 -0.33 0.00 0.00 0.00 178.15 177.33 1cee h GLU 127 N 0.22 0.00 0.00 2.37 5.08 0.83 1.21 114.58 124.28 1cee h GLU 127 Ca 0.17 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1cee h GLU 127 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1cee h GLU 127 CO -0.21 0.49 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.45 1cee h LYS 128 N 0.00 0.00 0.00 2.33 3.64 -1.28 -3.31 116.57 117.95 1cee h LYS 128 Ca -0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1cee h LYS 128 Cb 1.02 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1cee h LYS 128 CO 0.06 0.62 -2.28 1.47 -2.27 0.00 0.00 179.45 177.05 1cee n LEU 129 N -3.38 0.58 -0.38 5.20 -0.00 0.11 -4.14 117.00 114.99 1cee n LEU 129 Ca 0.01 0.05 0.37 0.00 -0.00 0.00 0.00 56.01 56.44 1cee n LEU 129 Cb 0.73 0.23 0.64 0.00 -0.00 0.00 0.00 43.42 45.01 1cee n LEU 129 CO 0.41 0.55 1.34 0.00 -0.00 0.00 0.00 177.39 179.69 1cee h ALA 130 N 0.85 3.24 0.00 1.47 0.00 0.14 0.65 119.26 125.62 1cee h ALA 130 Ca -0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1cee h ALA 130 Cb 2.16 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.98 1cee h ALA 130 CO 0.02 -1.88 -0.43 1.63 0.00 0.00 0.00 179.25 178.60 1cee n LYS 131 N -3.63 0.85 0.00 0.00 5.02 -1.26 -4.78 118.16 114.37 1cee n LYS 131 Ca 0.30 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1cee n LYS 131 Cb 1.60 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cee n ASN 132 N -0.69 4.31 0.00 4.39 3.02 0.22 -5.04 115.26 121.48 1cee n ASN 132 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1cee n ASN 132 Cb 0.76 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1cee n ASN 132 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1cee n LYS 133 N -2.05 0.00 -2.98 3.52 2.85 -0.94 -5.08 118.16 113.49 1cee n LYS 133 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1cee n LYS 133 Cb 0.46 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.90 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cee s GLN 134 N 0.00 2.34 -0.26 -1.58 1.11 -1.17 -4.95 119.66 115.14 1cee s GLN 134 Ca 0.00 -1.50 -0.29 0.00 0.01 0.00 0.00 55.36 53.58 1cee s GLN 134 Cb 0.00 -2.63 0.18 0.00 -1.01 0.00 0.00 33.01 29.55 1cee s GLN 134 CO 0.00 -0.82 1.29 -1.59 0.01 0.00 0.00 175.29 174.18 1cee s LYS 135 N -4.66 0.18 0.27 2.91 -2.85 -1.24 -4.00 119.74 110.35 1cee s LYS 135 Ca 0.61 0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 55.36 1cee s LYS 135 Cb -0.07 0.09 -0.09 0.00 -2.06 0.00 0.00 37.83 35.70 1cee s LYS 135 CO 0.38 -0.05 1.00 -1.25 0.10 0.00 0.00 175.35 175.53 1cee s PRO 136 N -0.84 4.72 0.10 1.78 0.04 -1.26 -3.20 135.00 136.35 1cee s PRO 136 Ca 0.06 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1cee s PRO 136 Cb -0.02 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1cee s PRO 136 CO -0.07 0.36 0.60 0.42 0.04 0.00 0.00 177.00 178.35 1cee s ILE 137 N -1.24 4.69 0.14 0.56 -1.09 0.24 -4.96 121.20 119.53 1cee s ILE 137 Ca 0.44 1.25 -0.23 0.00 -2.23 0.00 0.00 60.65 59.88 1cee s ILE 137 Cb -0.27 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 1cee s ILE 137 CO 0.34 0.50 0.71 0.42 -1.23 0.00 0.00 174.94 175.68 1cee s THR 138 N -1.17 4.49 0.43 2.92 -4.23 -1.26 -4.96 115.64 111.86 1cee s THR 138 Ca 0.31 1.53 0.20 0.00 -1.18 0.00 0.00 61.69 62.55 1cee s THR 138 Cb -0.19 -4.05 0.40 0.00 1.34 0.00 0.00 72.50 70.00 1cee s THR 138 CO 0.20 0.52 1.84 -0.65 -0.54 0.00 0.00 174.62 175.99 1cee h PRO 139 N 4.34 0.34 -0.11 3.99 0.11 -1.99 0.18 132.00 138.86 1cee h PRO 139 Ca -0.48 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1cee h PRO 139 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1cee h PRO 139 CO 0.65 0.22 -0.64 0.93 -0.21 0.00 0.00 178.00 178.95 1cee h GLU 140 N 0.35 0.42 -0.36 1.05 5.08 -1.98 -0.73 114.58 118.41 1cee h GLU 140 Ca 0.49 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1cee h GLU 140 Cb 1.33 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1cee h GLU 140 CO -0.18 0.92 -0.06 1.15 -1.00 0.00 0.00 179.01 179.84 1cee h THR 141 N 0.30 1.27 0.03 1.13 2.02 -1.07 -0.68 112.91 115.92 1cee h THR 141 Ca -0.01 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1cee h THR 141 Cb 1.19 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1cee h THR 141 CO 0.11 0.37 -0.02 0.00 0.37 0.00 0.00 175.52 176.35 1cee h ALA 142 N 0.83 -0.04 -0.87 6.16 0.00 -1.27 -3.08 119.26 120.99 1cee h ALA 142 Ca 0.09 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1cee h ALA 142 Cb 0.56 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1cee h ALA 142 CO 0.03 -0.29 0.56 1.49 0.00 0.00 0.00 179.25 181.04 1cee h GLU 143 N -0.51 0.72 -0.83 0.00 4.81 -1.15 -0.16 114.58 117.45 1cee h GLU 143 Ca -0.00 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.33 1cee h GLU 143 Cb 0.47 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.59 1cee h GLU 143 CO 0.01 0.48 0.40 -0.22 -0.73 0.00 0.00 179.01 178.95 1cee h LYS 144 N 0.74 0.55 0.04 1.92 3.64 -1.03 -0.24 116.57 122.20 1cee h LYS 144 Ca 0.42 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.50 1cee h LYS 144 Cb 0.59 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1cee h LYS 144 CO -0.19 0.36 -1.07 -0.07 -2.27 0.00 0.00 179.45 176.21 1cee h LEU 145 N 0.57 0.87 -1.91 5.20 3.38 -1.10 -0.28 115.31 122.05 1cee h LEU 145 Ca 0.46 -0.77 0.26 0.00 0.09 0.00 0.00 57.88 57.92 1cee h LEU 145 Cb 0.68 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1cee h LEU 145 CO -0.38 1.54 0.66 0.00 0.09 0.00 0.00 178.44 180.35 1cee h ALA 146 N 0.35 2.77 0.06 1.53 0.00 0.45 1.32 119.26 125.74 1cee h ALA 146 Ca -0.15 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.37 1cee h ALA 146 Cb 1.74 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1cee h ALA 146 CO 0.21 -1.05 -2.18 2.89 0.00 0.00 0.00 179.25 179.12 1cee n ARG 147 N -4.31 0.71 -0.11 0.00 1.85 -0.26 0.10 116.66 114.65 1cee n ARG 147 Ca 0.20 0.21 -0.04 0.00 -1.00 0.00 0.00 57.85 57.22 1cee n ARG 147 Cb 0.96 -1.63 0.18 0.00 -1.05 0.00 0.00 32.46 30.92 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1cee h ASP 148 N 0.04 0.74 -0.44 2.89 3.58 0.60 -2.31 116.42 121.52 1cee h ASP 148 Ca -0.48 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1cee h ASP 148 Cb 2.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.85 1cee h ASP 148 CO 0.02 0.78 0.00 0.18 -2.88 0.00 0.00 179.24 177.34 1cee n LEU 149 N -4.24 4.29 -1.55 2.28 4.77 0.44 -4.89 117.00 118.10 1cee n LEU 149 Ca 0.03 -2.17 -0.19 0.00 -0.03 0.00 0.00 56.01 53.65 1cee n LEU 149 Cb 0.27 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 1cee n LEU 149 CO 0.41 0.55 -0.18 0.29 -1.33 0.00 0.00 177.39 177.13 1cee n LYS 150 N 0.54 -1.42 -1.74 3.23 5.02 -0.87 -4.90 118.16 118.03 1cee n LYS 150 Ca 0.20 1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 57.19 1cee n LYS 150 Cb 0.89 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 30.41 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee n ALA 151 N 1.13 2.47 -0.29 7.82 0.00 0.28 -4.75 120.51 127.17 1cee n ALA 151 Ca -0.19 0.37 0.22 0.00 0.00 0.00 0.00 53.44 53.84 1cee n ALA 151 Cb 0.62 -2.45 0.52 0.00 0.00 0.00 0.00 19.45 18.14 1cee n ALA 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cee h VAL 152 N 3.32 0.58 0.00 0.00 -1.51 -1.73 -3.41 116.25 113.50 1cee h VAL 152 Ca -0.47 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1cee h VAL 152 Cb 1.23 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1cee h VAL 152 CO 0.79 0.07 0.00 0.29 -1.23 0.00 0.00 177.57 177.49 1cee n LYS 153 N -4.56 0.00 -3.51 5.19 5.02 -1.26 -5.05 118.16 114.00 1cee n LYS 153 Ca 0.23 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1cee n LYS 153 Cb 0.83 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.76 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cee s TYR 154 N -2.00 3.40 0.08 2.13 5.04 -1.26 -1.45 117.35 123.29 1cee s TYR 154 Ca 0.00 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.20 1cee s TYR 154 Cb 0.00 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.88 1cee s TYR 154 CO 0.00 0.12 -0.09 0.14 -1.34 0.00 0.00 175.55 174.38 1cee s VAL 155 N 0.87 0.82 -0.04 3.14 -7.23 0.22 -4.97 120.40 113.21 1cee s VAL 155 Ca 0.16 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1cee s VAL 155 Cb -0.14 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1cee s VAL 155 CO 0.05 -0.53 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.52 1cee s GLU 156 N -2.55 1.20 0.12 4.82 2.12 -1.26 0.80 118.70 123.95 1cee s GLU 156 Ca 0.02 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 1cee s GLU 156 Cb -0.04 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 1cee s GLU 156 CO -0.00 0.03 0.02 0.00 -0.54 0.00 0.00 175.26 174.77 1cee s SER 158 N -3.05 0.97 -0.12 0.00 0.15 -1.08 -3.77 113.70 106.81 1cee s SER 158 Ca 0.19 -1.05 0.09 0.00 0.70 0.00 0.00 55.95 55.88 1cee s SER 158 Cb 0.07 0.13 -0.13 0.00 -1.71 0.00 0.00 66.02 64.38 1cee s SER 158 CO -0.01 -0.53 0.01 0.00 1.20 0.00 0.00 173.24 173.91 1cee n ALA 159 N -0.06 1.71 -0.00 5.45 0.00 -1.26 -2.82 120.51 123.54 1cee n ALA 159 Ca -0.11 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1cee n ALA 159 Cb 0.61 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 1cee n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cee h LEU 160 N 0.00 0.05 0.00 0.00 7.12 -1.97 -3.32 115.31 117.19 1cee h LEU 160 Ca -0.31 -0.27 -0.14 0.00 0.13 0.00 0.00 57.88 57.29 1cee h LEU 160 Cb 1.67 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.76 1cee h LEU 160 CO 0.01 0.31 -2.09 0.41 -0.13 0.00 0.00 178.44 176.95 1cee n THR 161 N -4.92 0.57 -1.17 1.05 -1.04 -1.26 -4.93 114.28 102.57 1cee n THR 161 Ca -0.07 -0.64 -0.06 0.00 -2.04 0.00 0.00 64.05 61.24 1cee n THR 161 Cb 0.16 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 1cee n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee n GLN 162 N -2.47 -0.42 -1.74 -2.82 6.02 -1.13 -4.95 117.38 109.86 1cee n GLN 162 Ca -0.14 0.70 -0.43 0.00 -0.01 0.00 0.00 57.00 57.12 1cee n GLN 162 Cb 0.79 -4.45 -0.03 0.00 1.02 0.00 0.00 30.24 27.58 1cee n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1cee s LYS 163 N -2.47 3.68 -1.58 -1.09 2.20 -1.25 -1.48 119.74 117.75 1cee s LYS 163 Ca 0.00 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1cee s LYS 163 Cb 0.00 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.10 1cee s LYS 163 CO 0.00 -1.47 0.00 0.41 -0.36 0.00 0.00 175.35 173.93 1cee n GLY 164 N 5.04 1.43 0.37 5.54 0.00 -1.26 -2.64 105.19 113.66 1cee n GLY 164 Ca 0.23 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1cee n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cee h LEU 165 N 0.00 0.75 0.18 0.99 5.85 -1.48 -2.64 115.31 118.96 1cee h LEU 165 Ca -0.30 0.03 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 1cee h LEU 165 Cb 1.22 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.14 1cee h LEU 165 CO 0.45 0.43 -1.68 0.07 -0.34 0.00 0.00 178.44 177.37 1cee h LYS 166 N 0.82 0.38 -0.54 1.25 2.10 -1.88 -3.33 116.57 115.37 1cee h LYS 166 Ca 0.42 -0.65 0.16 0.00 -2.00 0.00 0.00 60.65 58.58 1cee h LYS 166 Cb 0.50 0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 1cee h LYS 166 CO -0.19 1.31 0.64 -0.91 -2.00 0.00 0.00 179.45 178.31 1cee h ASN 167 N 0.04 0.00 0.67 7.07 2.35 -1.86 -0.43 115.58 123.41 1cee h ASN 167 Ca -0.33 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 1cee h ASN 167 Cb 2.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.42 1cee h ASN 167 CO 0.16 0.00 -0.32 0.58 -1.65 0.00 0.00 177.43 176.20 1cee h VAL 168 N 0.00 0.04 0.00 2.81 2.07 -1.63 -1.00 116.25 118.53 1cee h VAL 168 Ca 0.26 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1cee h VAL 168 Cb 1.54 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1cee h VAL 168 CO -0.00 0.01 -0.09 -0.26 0.02 0.00 0.00 177.57 177.24 1cee h PHE 169 N -1.22 0.00 0.10 1.57 -1.00 -1.48 0.13 116.94 115.04 1cee h PHE 169 Ca -0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 1cee h PHE 169 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1cee h PHE 169 CO 0.00 0.09 -0.05 0.22 -1.61 0.00 0.00 178.31 176.96 1cee h ASP 170 N 0.00 -0.12 -0.40 2.17 3.58 -0.99 -1.61 116.42 119.05 1cee h ASP 170 Ca -0.00 -0.17 -0.15 0.00 0.42 0.00 0.00 57.03 57.13 1cee h ASP 170 Cb 0.21 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1cee h ASP 170 CO 0.01 0.11 -0.33 -0.33 -2.88 0.00 0.00 179.24 175.82 1cee h GLU 171 N -0.34 0.93 0.13 0.28 3.07 -0.73 -2.24 114.58 115.67 1cee h GLU 171 Ca -0.01 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1cee h GLU 171 Cb 0.28 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1cee h GLU 171 CO 0.02 1.12 -0.26 0.00 -1.40 0.00 0.00 179.01 178.50 1cee h ALA 172 N 0.79 -0.84 -0.46 3.43 0.00 -0.92 0.38 119.26 121.64 1cee h ALA 172 Ca 0.07 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1cee h ALA 172 Cb 0.92 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1cee h ALA 172 CO 0.09 -0.88 -0.21 0.82 0.00 0.00 0.00 179.25 179.07 1cee h ILE 173 N -0.41 0.38 -0.85 0.00 2.04 -1.37 1.52 117.51 118.82 1cee h ILE 173 Ca -0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.08 1cee h ILE 173 Cb 0.39 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1cee h ILE 173 CO -0.10 0.00 0.60 0.25 0.00 0.00 0.00 178.15 178.90 1cee h LEU 174 N -0.11 0.09 0.07 1.44 5.85 -1.00 0.18 115.31 121.84 1cee h LEU 174 Ca 0.22 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.69 1cee h LEU 174 Cb 0.45 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1cee h LEU 174 CO -0.53 0.04 -1.38 0.00 -0.34 0.00 0.00 178.44 176.22 1cee h ALA 175 N 1.59 0.25 -0.50 1.25 0.00 0.45 -3.35 119.26 118.95 1cee h ALA 175 Ca 0.41 -1.15 0.12 0.00 0.00 0.00 0.00 54.91 54.29 1cee h ALA 175 Cb 1.50 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1cee h ALA 175 CO -0.05 0.82 0.35 0.00 0.00 0.00 0.00 179.25 180.38 1cee h ALA 176 N -0.19 2.29 -3.70 0.00 0.00 0.28 -3.43 119.26 114.52 1cee h ALA 176 Ca -0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1cee h ALA 176 Cb 1.60 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.41 1cee h ALA 176 CO -0.04 -0.42 0.04 1.28 0.00 0.00 0.00 179.25 180.12 1cee n LEU 177 N -4.43 0.00 -3.56 0.00 4.77 0.54 -4.67 117.00 109.65 1cee n LEU 177 Ca 0.09 -0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 55.62 1cee n LEU 177 Cb 0.48 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1cee n LEU 177 CO 0.35 -0.63 0.65 -1.83 -1.33 0.00 0.00 177.39 174.61 1cee s GLU 178 N -3.15 0.99 0.00 3.23 -1.05 -1.26 -4.97 118.70 112.49 1cee s GLU 178 Ca 0.14 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1cee s GLU 178 Cb -0.01 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1cee s GLU 178 CO 0.09 -0.44 0.10 -0.35 0.95 0.00 0.00 175.26 175.61