#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 4.49 -0.07 0.03 -1.52 -1.26 -4.97 119.66 116.35 1cee s GLN 2 Ca 0.00 1.21 -0.03 0.00 -1.95 0.00 0.00 55.36 54.59 1cee s GLN 2 Cb 0.00 -2.78 0.04 0.00 -0.22 0.00 0.00 33.01 30.05 1cee s GLN 2 CO 0.00 0.29 0.14 0.99 -0.25 0.00 0.00 175.29 176.45 1cee s THR 3 N -1.63 -0.16 0.31 -0.19 2.01 -1.26 -1.53 115.64 113.19 1cee s THR 3 Ca 0.49 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 1cee s THR 3 Cb -0.18 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1cee s THR 3 CO 0.22 0.12 0.53 -0.63 -0.69 0.00 0.00 174.62 174.17 1cee s ILE 4 N 1.82 5.10 -0.69 1.82 1.09 -1.20 -4.90 121.20 124.24 1cee s ILE 4 Ca -0.02 -0.35 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 1cee s ILE 4 Cb -0.12 -3.82 0.17 0.00 -1.06 0.00 0.00 42.46 37.64 1cee s ILE 4 CO -0.05 -0.46 0.50 0.29 -0.10 0.00 0.00 174.94 175.12 1cee n LYS 5 N -1.45 1.79 -2.98 2.79 5.02 -1.26 -0.65 118.16 121.40 1cee n LYS 5 Ca -0.04 -4.43 -0.43 0.00 -2.02 0.00 0.00 58.31 51.38 1cee n LYS 5 Cb 0.55 -2.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee s VAL 7 N 3.31 3.82 -0.31 0.00 0.11 -1.09 -1.34 120.40 124.90 1cee s VAL 7 Ca 0.26 -0.42 -0.23 0.00 -2.93 0.00 0.00 61.98 58.66 1cee s VAL 7 Cb -0.14 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1cee s VAL 7 CO 0.19 0.58 0.76 -0.69 -3.33 0.00 0.00 175.10 172.61 1cee s VAL 8 N -0.59 4.81 0.06 2.04 1.01 -0.57 0.07 120.40 127.23 1cee s VAL 8 Ca 0.09 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1cee s VAL 8 Cb -0.12 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1cee s VAL 8 CO 0.02 -0.26 -0.18 0.68 0.00 0.00 0.00 175.10 175.36 1cee s VAL 9 N 2.92 2.82 0.00 2.92 -7.23 0.10 -2.89 120.40 119.05 1cee s VAL 9 Ca 0.31 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1cee s VAL 9 Cb -0.14 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1cee s VAL 9 CO 0.13 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1cee n GLY 10 N 1.35 3.99 3.38 2.32 0.00 -1.26 -2.89 105.19 112.07 1cee n GLY 10 Ca -0.16 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.60 1cee n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cee s ASP 11 N 0.00 6.18 0.00 1.61 -1.08 -1.26 -4.75 116.67 117.38 1cee s ASP 11 Ca 0.00 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 50.62 1cee s ASP 11 Cb 0.00 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1cee s ASP 11 CO 0.00 -1.10 0.00 0.61 0.52 0.00 0.00 175.17 175.20 1cee n GLY 12 N 5.28 0.21 0.02 2.66 0.00 -1.26 -5.05 105.19 107.04 1cee n GLY 12 Ca -0.09 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 44.53 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee h ALA 13 N 0.00 0.00 -4.02 4.61 0.00 -1.98 -3.43 119.26 114.43 1cee h ALA 13 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1cee h ALA 13 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cee h ALA 13 CO 0.00 0.05 -0.09 1.33 0.00 0.00 0.00 179.25 180.54 1cee n VAL 14 N -2.96 -0.14 -2.94 0.00 0.24 -1.26 -3.45 118.33 107.82 1cee n VAL 14 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1cee n VAL 14 Cb 0.02 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 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 -0.47 0.00 0.28 7.63 0.00 -1.26 -4.74 105.19 106.62 1cee n GLY 15 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1cee n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cee h LYS 16 N 3.56 0.89 0.00 1.61 -0.00 -1.93 -2.82 116.57 117.88 1cee h LYS 16 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 1cee h LYS 16 Cb 0.79 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.98 1cee h LYS 16 CO 0.00 1.01 0.00 2.41 -0.00 0.00 0.00 179.45 182.87 1cee n THR 17 N -4.12 0.50 -0.04 0.07 -1.04 -1.26 -3.08 114.28 105.32 1cee n THR 17 Ca 0.00 -0.17 -0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1cee n THR 17 Cb 0.43 -0.63 -0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 -0.72 0.75 -0.63 0.00 6.46 -1.70 0.27 115.31 119.74 1cee h LEU 19 Ca 0.00 -0.26 0.11 0.00 -0.12 0.00 0.00 57.88 57.61 1cee h LEU 19 Cb 0.00 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 39.65 1cee h LEU 19 CO 0.00 0.94 0.19 -0.07 -0.62 0.00 0.00 178.44 178.88 1cee h LEU 20 N 0.65 0.13 0.15 2.25 3.38 -1.73 0.15 115.31 120.29 1cee h LEU 20 Ca 0.09 0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.87 1cee h LEU 20 Cb 0.70 0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.57 1cee h LEU 20 CO 0.05 0.07 -1.30 0.40 0.09 0.00 0.00 178.44 177.75 1cee h ILE 21 N 0.34 1.42 0.00 1.22 1.08 -1.53 -3.08 117.51 116.96 1cee h ILE 21 Ca 0.33 -2.89 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 1cee h ILE 21 Cb 0.46 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1cee h ILE 21 CO -0.37 0.85 0.00 -1.20 -0.69 0.00 0.00 178.15 176.75 1cee n SER 22 N -3.61 0.19 -0.03 1.72 7.64 0.92 -1.99 113.62 118.46 1cee n SER 22 Ca -0.11 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 1cee n SER 22 Cb 1.04 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cee n TYR 23 N -1.73 0.12 -0.24 1.43 9.36 0.46 -2.81 117.16 123.75 1cee n TYR 23 Ca 0.02 0.05 0.01 0.00 3.32 0.00 0.00 57.90 61.30 1cee n TYR 23 Cb 0.12 -0.28 0.13 0.00 -0.63 0.00 0.00 39.34 38.68 1cee n TYR 23 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1cee h THR 24 N -0.39 0.84 0.00 2.97 1.35 -1.60 -2.60 112.91 113.47 1cee h THR 24 Ca 0.00 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.59 1cee h THR 24 Cb 0.33 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.96 1cee h THR 24 CO 0.00 0.10 -1.48 0.35 -0.25 0.00 0.00 175.52 174.24 1cee n THR 25 N -4.89 0.68 -1.73 6.82 -2.24 -0.84 -4.97 114.28 107.11 1cee n THR 25 Ca 0.10 -0.60 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1cee n THR 25 Cb 0.27 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -2.64 -3.35 -3.72 3.42 2.85 -0.98 -5.01 115.26 105.83 1cee n ASN 26 Ca -0.06 0.08 -0.15 0.00 -0.11 0.00 0.00 54.58 54.34 1cee n ASN 26 Cb 0.68 -2.16 -0.15 0.00 1.24 0.00 0.00 39.78 39.39 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1cee s LYS 27 N -3.61 0.04 -0.01 1.20 2.36 -1.23 -4.94 119.74 113.56 1cee s LYS 27 Ca 0.00 0.41 -0.30 0.00 -2.55 0.00 0.00 55.97 53.53 1cee s LYS 27 Cb 0.00 -0.24 -0.06 0.00 -1.05 0.00 0.00 37.83 36.48 1cee s LYS 27 CO 0.00 -0.22 1.59 0.12 1.55 0.00 0.00 175.35 178.38 1cee s PHE 28 N 1.58 2.32 0.00 4.03 2.19 -1.26 -3.52 117.98 123.32 1cee s PHE 28 Ca -0.04 0.39 0.00 0.00 0.33 0.00 0.00 56.93 57.61 1cee s PHE 28 Cb -0.12 -3.86 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1cee s PHE 28 CO -0.05 -3.48 0.00 -0.35 1.83 0.00 0.00 175.22 173.16 1cee n PRO 29 N 6.30 0.52 0.00 10.12 -0.04 -1.26 -5.01 135.00 145.62 1cee n PRO 29 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1cee n PRO 29 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1cee n PRO 29 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cee n SER 30 N -0.93 0.00 -4.36 3.54 3.41 -1.26 -5.13 113.62 108.89 1cee n SER 30 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1cee n SER 30 Cb 0.00 0.10 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1cee n GLU 31 N -2.07 -0.77 -3.62 4.33 4.07 -1.26 -5.02 120.64 116.30 1cee n GLU 31 Ca 0.00 -0.19 -0.18 0.00 -0.06 0.00 0.00 57.16 56.72 1cee n GLU 31 Cb 0.00 -1.79 -0.15 0.00 -0.06 0.00 0.00 31.44 29.43 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1cee s TYR 32 N -2.34 -0.15 -0.30 4.31 6.14 -1.26 -5.13 117.35 118.63 1cee s TYR 32 Ca 0.56 0.40 -0.25 0.00 0.64 0.00 0.00 57.07 58.43 1cee s TYR 32 Cb -0.18 -0.34 0.18 0.00 0.42 0.00 0.00 41.96 42.05 1cee s TYR 32 CO 0.67 -0.38 1.41 0.54 0.64 0.00 0.00 175.55 178.43 1cee s VAL 33 N 2.28 0.00 0.15 3.14 0.11 -1.26 -5.16 120.40 119.67 1cee s VAL 33 Ca 0.04 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.00 1cee s VAL 33 Cb -0.13 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.65 1cee s VAL 33 CO -0.08 0.00 0.07 -2.65 -3.33 0.00 0.00 175.10 169.11 1cee n PRO 34 N 1.64 0.00 -3.00 1.54 -0.02 -1.26 -4.98 135.00 128.93 1cee n PRO 34 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.30 1cee n PRO 34 Cb 0.57 -0.41 -0.02 0.00 -0.02 0.00 0.00 33.50 33.61 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 -0.64 -0.73 0.03 3.45 2.01 -1.26 -5.02 115.64 113.48 1cee s THR 35 Ca 0.25 -1.08 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1cee s THR 35 Cb -0.29 -0.26 -0.22 0.00 0.01 0.00 0.00 72.50 71.74 1cee s THR 35 CO 0.25 -0.25 1.15 -0.37 -0.69 0.00 0.00 174.62 174.71 1cee h VAL 36 N 4.94 1.38 -2.55 3.82 -1.51 -1.95 -3.45 116.25 116.94 1cee h VAL 36 Ca 0.09 -2.06 -0.31 0.00 -1.23 0.00 0.00 66.70 63.19 1cee h VAL 36 Cb 1.09 2.45 -0.35 0.00 -2.13 0.00 0.00 31.29 32.34 1cee h VAL 36 CO 0.10 0.61 -0.62 0.12 -1.23 0.00 0.00 177.57 176.56 1cee s PHE 37 N -3.34 -0.30 -0.22 5.19 5.36 -1.26 -3.23 117.98 120.18 1cee s PHE 37 Ca -0.12 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1cee s PHE 37 Cb 0.05 -0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.46 1cee s PHE 37 CO 0.85 -0.58 -0.04 0.34 -1.46 0.00 0.00 175.22 174.33 1cee s ASP 38 N 2.34 3.57 -0.21 6.13 -1.08 -1.26 -5.07 116.67 121.09 1cee s ASP 38 Ca 0.07 -1.05 -0.04 0.00 -0.52 0.00 0.00 52.55 51.00 1cee s ASP 38 Cb -0.15 -1.06 -0.02 0.00 -1.46 0.00 0.00 42.92 40.23 1cee s ASP 38 CO -0.12 -0.24 -0.02 0.21 0.52 0.00 0.00 175.17 175.53 1cee s ASN 39 N 1.49 4.62 0.25 -0.34 2.47 -1.26 -4.21 114.94 117.96 1cee s ASN 39 Ca -0.04 -0.27 0.11 0.00 0.42 0.00 0.00 52.86 53.07 1cee s ASN 39 Cb -0.18 -1.79 -0.05 0.00 -1.45 0.00 0.00 41.25 37.78 1cee s ASN 39 CO -0.07 0.04 -0.19 -0.31 -3.72 0.00 0.00 177.10 172.85 1cee s TYR 40 N 1.16 2.15 -0.20 0.43 1.51 -1.12 -5.01 117.35 116.27 1cee s TYR 40 Ca 0.02 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1cee s TYR 40 Cb -0.14 -0.96 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1cee s TYR 40 CO 0.00 0.61 -0.16 0.00 -1.11 0.00 0.00 175.55 174.89 1cee s ALA 41 N -2.50 2.43 -0.06 3.71 0.00 -1.26 -1.77 121.76 122.31 1cee s ALA 41 Ca 0.27 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1cee s ALA 41 Cb -0.04 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1cee s ALA 41 CO 0.12 -0.50 0.08 0.08 0.00 0.00 0.00 175.76 175.55 1cee s VAL 42 N 1.29 4.90 -0.30 0.00 1.01 -0.77 -4.95 120.40 121.57 1cee s VAL 42 Ca 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1cee s VAL 42 Cb -0.14 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1cee s VAL 42 CO -0.10 0.50 0.06 -0.89 0.00 0.00 0.00 175.10 174.66 1cee s THR 43 N -1.07 3.64 0.21 3.92 2.01 -1.26 0.45 115.64 123.54 1cee s THR 43 Ca 0.18 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1cee s THR 43 Cb -0.12 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1cee s THR 43 CO 0.08 -0.01 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.13 1cee s VAL 44 N 1.42 2.03 -0.98 3.82 1.01 -1.10 -4.91 120.40 121.70 1cee s VAL 44 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 61.98 59.65 1cee s VAL 44 Cb -0.18 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.28 1cee s VAL 44 CO 0.01 -0.40 1.17 -0.04 0.00 0.00 0.00 175.10 175.84 1cee s MET 45 N -3.22 3.70 -0.20 2.72 -1.94 -1.26 0.17 119.30 119.26 1cee s MET 45 Ca 0.22 -1.95 -0.07 0.00 -1.71 0.00 0.00 55.69 52.17 1cee s MET 45 Cb -0.04 -4.92 -0.04 0.00 2.01 0.00 0.00 34.83 31.84 1cee s MET 45 CO 0.09 -1.75 0.07 0.42 -0.01 0.00 0.00 175.02 173.84 1cee s ILE 46 N 2.35 4.65 -1.23 2.53 1.01 0.14 -4.40 121.20 126.25 1cee s ILE 46 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 1cee s ILE 46 Cb -0.05 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1cee s ILE 46 CO -0.08 0.42 0.40 0.61 0.00 0.00 0.00 174.94 176.30 1cee n GLY 47 N 3.95 -0.25 2.37 6.18 0.00 -1.26 -2.47 105.19 113.70 1cee n GLY 47 Ca -0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.30 -0.08 3.43 -0.02 0.00 -1.26 -5.01 105.19 100.95 1cee n GLY 48 Ca -0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.93 1.01 -0.41 1.61 2.02 -1.03 -5.12 118.70 111.84 1cee s GLU 49 Ca 0.09 -0.01 -0.28 0.00 0.02 0.00 0.00 54.97 54.79 1cee s GLU 49 Cb -0.04 0.47 -0.00 0.00 0.10 0.00 0.00 34.13 34.65 1cee s GLU 49 CO 0.12 -0.34 1.60 -1.25 0.02 0.00 0.00 175.26 175.41 1cee s PRO 50 N -1.76 3.38 0.31 0.39 0.04 -1.26 0.27 135.00 136.36 1cee s PRO 50 Ca -0.09 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1cee s PRO 50 Cb -0.01 -4.13 0.05 0.00 0.04 0.00 0.00 34.50 30.45 1cee s PRO 50 CO 0.04 -1.81 0.42 0.66 0.04 0.00 0.00 177.00 176.35 1cee n TYR 51 N 9.78 -2.57 -3.44 0.56 4.02 0.44 -3.93 117.16 122.02 1cee n TYR 51 Ca 0.19 -1.13 -0.27 0.00 -0.01 0.00 0.00 57.90 56.68 1cee n TYR 51 Cb 0.48 -0.29 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.93 0.04 0.25 -0.72 2.01 -0.58 -2.71 115.64 113.00 1cee s THR 52 Ca 0.32 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 1cee s THR 52 Cb -0.03 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 1cee s THR 52 CO 0.20 -0.91 1.42 -0.22 -0.69 0.00 0.00 174.62 174.42 1cee s LEU 53 N 1.14 4.39 -0.48 4.42 2.96 0.17 -3.26 118.68 128.03 1cee s LEU 53 Ca 0.18 2.64 -0.19 0.00 -0.22 0.00 0.00 54.13 56.54 1cee s LEU 53 Cb -0.21 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 42.90 1cee s LEU 53 CO 0.00 -0.68 0.57 -0.83 -1.32 0.00 0.00 176.35 174.09 1cee s GLY 54 N 0.33 1.81 -0.37 7.98 0.00 0.17 -1.85 107.32 115.40 1cee s GLY 54 Ca 0.59 -1.66 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 1cee s GLY 54 CO 0.43 1.38 0.79 1.08 0.00 0.00 0.00 173.10 176.78 1cee s LEU 55 N 2.47 4.13 0.02 0.66 2.01 -0.73 -2.10 118.68 125.14 1cee s LEU 55 Ca 0.14 0.34 0.06 0.00 0.01 0.00 0.00 54.13 54.68 1cee s LEU 55 Cb -0.19 -3.03 -0.02 0.00 0.01 0.00 0.00 46.19 42.96 1cee s LEU 55 CO 0.13 -0.75 -0.18 -0.36 1.01 0.00 0.00 176.35 176.20 1cee s PHE 56 N 3.13 1.56 -0.05 0.29 0.40 -0.45 -2.81 117.98 120.05 1cee s PHE 56 Ca 0.32 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1cee s PHE 56 Cb -0.13 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1cee s PHE 56 CO 0.17 0.03 0.10 0.16 0.70 0.00 0.00 175.22 176.39 1cee s ASP 57 N -0.86 0.29 -0.09 1.36 -4.77 -1.26 -1.51 116.67 109.83 1cee s ASP 57 Ca 0.06 0.20 -0.02 0.00 -3.30 0.00 0.00 52.55 49.49 1cee s ASP 57 Cb -0.08 0.09 -0.03 0.00 -1.09 0.00 0.00 42.92 41.81 1cee s ASP 57 CO 0.01 -0.18 -0.00 0.42 0.70 0.00 0.00 175.17 176.11 1cee s THR 58 N 1.52 4.25 0.00 2.11 -4.23 -1.14 -4.32 115.64 113.83 1cee s THR 58 Ca -0.05 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1cee s THR 58 Cb -0.12 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1cee s THR 58 CO -0.05 0.60 0.00 0.00 -0.54 0.00 0.00 174.62 174.63 1cee n ALA 59 N 2.26 0.00 -1.00 3.99 0.00 -1.20 -4.87 120.51 119.69 1cee n ALA 59 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cee n ALA 59 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 -3.24 2.68 0.00 0.00 -1.26 -4.84 105.19 98.53 1cee n GLY 60 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1cee n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cee n GLN 61 N 0.00 0.24 0.00 1.61 7.27 -1.26 -4.83 117.38 120.41 1cee n GLN 61 Ca 0.00 -0.87 0.00 0.00 0.07 0.00 0.00 57.00 56.20 1cee n GLN 61 Cb 0.00 -0.44 0.00 0.00 2.41 0.00 0.00 30.24 32.21 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1cee n GLU 62 N 1.51 0.00 -0.05 3.69 4.07 -1.26 -4.88 120.64 123.72 1cee n GLU 62 Ca 0.03 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.97 1cee n GLU 62 Cb 0.69 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 32.01 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1cee h ASP 63 N 0.00 0.70 -0.58 4.31 1.82 -2.01 -3.14 116.42 117.52 1cee h ASP 63 Ca 0.00 -0.58 -0.13 0.00 -0.39 0.00 0.00 57.03 55.93 1cee h ASP 63 Cb 0.00 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 39.73 1cee h ASP 63 CO 0.00 1.16 0.14 -1.22 -1.61 0.00 0.00 179.24 177.71 1cee n TYR 64 N -4.21 1.98 -0.21 0.28 4.02 -1.26 -4.60 117.16 113.16 1cee n TYR 64 Ca -0.07 -1.09 0.23 0.00 -0.01 0.00 0.00 57.90 56.96 1cee n TYR 64 Cb 0.57 -0.57 0.60 0.00 -0.02 0.00 0.00 39.34 39.92 1cee n TYR 64 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1cee h ASP 65 N 2.60 0.23 -0.36 7.72 3.58 -1.88 0.21 116.42 128.53 1cee h ASP 65 Ca 0.16 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1cee h ASP 65 Cb 2.05 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 43.06 1cee h ASP 65 CO 0.57 0.09 0.13 0.03 -2.88 0.00 0.00 179.24 177.17 1cee h ARG 66 N 0.23 0.54 -0.48 0.28 2.47 -1.85 -3.03 114.38 112.53 1cee h ARG 66 Ca 0.45 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 59.01 1cee h ARG 66 Cb 1.38 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 1cee h ARG 66 CO -0.11 0.54 0.05 1.47 0.56 0.00 0.00 179.97 182.48 1cee n LEU 67 N -4.67 5.09 0.07 3.04 -0.00 -0.15 -4.66 117.00 115.73 1cee n LEU 67 Ca -0.01 -3.06 -0.04 0.00 -0.00 0.00 0.00 56.01 52.90 1cee n LEU 67 Cb 0.15 -0.65 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 1cee n LEU 67 CO 0.37 0.71 0.15 0.03 -0.00 0.00 0.00 177.39 178.64 1cee h ARG 68 N 2.84 -0.23 0.00 1.47 2.47 -0.54 -3.28 114.38 117.10 1cee h ARG 68 Ca 0.06 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1cee h ARG 68 Cb 1.85 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 30.22 1cee h ARG 68 CO 0.44 -0.16 0.00 -1.00 0.56 0.00 0.00 179.97 179.82 1cee h PRO 69 N -0.69 0.00 0.00 0.04 0.13 -1.83 -2.64 132.00 127.02 1cee h PRO 69 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1cee h PRO 69 Cb 0.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1cee h PRO 69 CO 0.04 0.00 0.01 1.25 -0.23 0.00 0.00 178.00 179.07 1cee h LEU 70 N 0.00 0.00 -2.74 1.56 5.85 -1.83 -1.00 115.31 117.15 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 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1cee h LEU 70 CO 0.00 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.56 1cee n SER 71 N -2.42 4.19 -1.68 1.25 3.41 -0.99 -4.26 113.62 113.11 1cee n SER 71 Ca -0.02 -2.38 -0.17 0.00 -0.26 0.00 0.00 58.87 56.05 1cee n SER 71 Cb 0.05 -0.54 0.07 0.00 -0.26 0.00 0.00 64.21 63.53 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cee n TYR 72 N 0.97 2.07 -0.45 7.33 4.01 -0.38 -4.85 117.16 125.86 1cee n TYR 72 Ca 0.22 -2.04 0.38 0.00 -0.16 0.00 0.00 57.90 56.30 1cee n TYR 72 Cb 0.79 -0.32 0.62 0.00 -0.31 0.00 0.00 39.34 40.12 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cee n PRO 73 N -0.81 -0.03 -2.67 -0.72 -0.02 -1.26 -3.15 135.00 126.34 1cee n PRO 73 Ca 0.38 1.08 -0.05 0.00 -2.02 0.00 0.00 63.50 62.89 1cee n PRO 73 Cb 0.90 -2.18 0.06 0.00 -0.02 0.00 0.00 33.50 32.26 1cee n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cee n GLN 74 N -4.33 0.42 -1.52 -0.52 0.00 -1.26 -5.15 117.38 105.02 1cee n GLN 74 Ca 0.36 -1.02 -0.37 0.00 -0.00 0.00 0.00 57.00 55.98 1cee n GLN 74 Cb 1.46 -0.19 0.06 0.00 0.00 0.00 0.00 30.24 31.57 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1cee n THR 75 N -0.06 3.35 -0.01 1.69 -1.04 -1.19 -4.94 114.28 112.09 1cee n THR 75 Ca -0.12 -0.46 -0.01 0.00 -2.04 0.00 0.00 64.05 61.42 1cee n THR 75 Cb 0.72 -1.09 -0.00 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.01 0.44 -4.60 8.00 -0.08 -1.17 -5.02 116.55 113.11 1cee n ASP 76 Ca 0.13 0.07 -0.30 0.00 -1.51 0.00 0.00 54.79 53.18 1cee n ASP 76 Cb 0.48 -0.35 -0.10 0.00 2.34 0.00 0.00 41.12 43.49 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 -1.42 3.50 -0.00 5.18 0.11 -1.10 -3.44 120.40 123.22 1cee s VAL 77 Ca -0.04 -1.16 0.07 0.00 -2.93 0.00 0.00 61.98 57.91 1cee s VAL 77 Cb 0.01 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 1cee s VAL 77 CO 0.07 0.15 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.42 1cee s PHE 78 N -1.20 2.48 -0.48 1.54 0.40 -1.17 -2.68 117.98 116.88 1cee s PHE 78 Ca 0.21 -0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1cee s PHE 78 Cb -0.11 -1.51 0.12 0.00 0.51 0.00 0.00 43.02 42.03 1cee s PHE 78 CO 0.14 0.12 0.35 -0.51 0.70 0.00 0.00 175.22 176.01 1cee s LEU 79 N -0.93 5.72 -0.84 -0.37 1.02 0.11 -0.70 118.68 122.69 1cee s LEU 79 Ca 0.12 -1.92 -0.19 0.00 0.02 0.00 0.00 54.13 52.16 1cee s LEU 79 Cb -0.10 -2.02 0.13 0.00 0.02 0.00 0.00 46.19 44.22 1cee s LEU 79 CO 0.01 -0.70 1.02 -0.69 0.02 0.00 0.00 176.35 176.02 1cee s VAL 80 N 1.35 4.77 -0.43 -1.59 1.01 -0.70 0.03 120.40 124.85 1cee s VAL 80 Ca 0.06 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 1cee s VAL 80 Cb -0.26 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.43 1cee s VAL 80 CO -0.01 -1.41 0.76 0.00 0.00 0.00 0.00 175.10 174.44 1cee s PHE 82 N 3.17 2.58 -0.31 0.00 -0.71 -0.55 -4.81 117.98 117.36 1cee s PHE 82 Ca 0.29 -0.59 -0.17 0.00 -1.04 0.00 0.00 56.93 55.41 1cee s PHE 82 Cb -0.13 -1.96 -0.02 0.00 -1.21 0.00 0.00 43.02 39.70 1cee s PHE 82 CO 0.21 0.17 0.48 0.45 -1.34 0.00 0.00 175.22 175.18 1cee s SER 83 N -3.92 6.33 0.27 1.98 0.15 -1.26 0.81 113.70 118.06 1cee s SER 83 Ca 0.41 0.19 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1cee s SER 83 Cb 0.04 -2.26 0.36 0.00 -1.71 0.00 0.00 66.02 62.45 1cee s SER 83 CO 0.22 -0.35 1.66 0.58 1.20 0.00 0.00 173.24 176.55 1cee h VAL 84 N 5.50 1.30 -0.58 4.45 2.07 -1.16 -2.96 116.25 124.87 1cee h VAL 84 Ca -0.29 -1.51 -0.39 0.00 0.82 0.00 0.00 66.70 65.33 1cee h VAL 84 Cb 1.14 1.59 -0.17 0.00 -1.52 0.00 0.00 31.29 32.33 1cee h VAL 84 CO 0.72 0.46 0.50 1.33 0.02 0.00 0.00 177.57 180.61 1cee n VAL 85 N -4.04 2.90 -3.26 2.57 0.24 -1.26 0.40 118.33 115.89 1cee n VAL 85 Ca -0.01 -1.85 -0.05 0.00 -2.04 0.00 0.00 64.34 60.39 1cee n VAL 85 Cb 0.48 -1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 31.55 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 -0.23 -0.29 0.57 -1.34 0.15 -1.12 -4.75 113.70 106.70 1cee s SER 86 Ca 0.37 -0.02 0.27 0.00 0.70 0.00 0.00 55.95 57.27 1cee s SER 86 Cb 0.29 1.43 1.69 0.00 -1.71 0.00 0.00 66.02 67.73 1cee s SER 86 CO -0.00 -0.32 2.23 1.55 1.20 0.00 0.00 173.24 177.90 1cee h PRO 87 N 8.11 0.00 0.53 5.44 0.13 -1.83 -2.75 132.00 141.63 1cee h PRO 87 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1cee h PRO 87 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1cee h PRO 87 CO 0.24 0.00 -0.25 0.77 -0.23 0.00 0.00 178.00 178.53 1cee h SER 88 N 0.00 -0.60 -0.70 1.44 0.02 -1.93 -2.54 113.55 109.24 1cee h SER 88 Ca -0.00 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1cee h SER 88 Cb 0.01 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 1cee h SER 88 CO 0.00 -0.39 0.24 0.28 -1.14 0.00 0.00 176.83 175.82 1cee h SER 89 N -0.77 0.18 -0.82 3.07 0.02 -1.77 0.73 113.55 114.18 1cee h SER 89 Ca -0.07 0.11 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1cee h SER 89 Cb 0.57 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1cee h SER 89 CO 0.12 0.07 0.54 0.15 -1.14 0.00 0.00 176.83 176.57 1cee h PHE 90 N 0.38 0.74 0.07 3.45 3.04 -1.45 1.51 116.94 124.67 1cee h PHE 90 Ca 0.38 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.34 1cee h PHE 90 Cb 0.56 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1cee h PHE 90 CO -0.19 0.31 -0.03 0.93 -2.02 0.00 0.00 178.31 177.30 1cee h GLU 91 N 0.65 -0.09 0.00 1.11 5.08 -0.44 -3.07 114.58 117.83 1cee h GLU 91 Ca 0.40 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.65 1cee h GLU 91 Cb 0.63 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1cee h GLU 91 CO -0.16 0.28 -0.53 -0.91 -1.00 0.00 0.00 179.01 176.69 1cee h ASN 92 N -0.47 0.00 -1.01 1.42 2.35 -0.95 -2.17 115.58 114.76 1cee h ASN 92 Ca -0.01 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.98 1cee h ASN 92 Cb 0.41 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.66 1cee h ASN 92 CO 0.01 0.53 0.61 0.58 -1.65 0.00 0.00 177.43 177.52 1cee h VAL 93 N 0.00 0.57 0.00 2.81 2.07 0.22 1.51 116.25 123.43 1cee h VAL 93 Ca -0.01 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1cee h VAL 93 Cb 0.98 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1cee h VAL 93 CO 0.07 0.11 -1.83 2.29 0.02 0.00 0.00 177.57 178.22 1cee n LYS 94 N -4.81 0.65 -2.55 1.57 2.85 -1.13 -3.10 118.16 111.64 1cee n LYS 94 Ca 0.26 -0.03 -0.18 0.00 -1.05 0.00 0.00 58.31 57.31 1cee n LYS 94 Cb 0.74 -1.62 0.02 0.00 -0.65 0.00 0.00 35.03 33.52 1cee n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cee n GLU 95 N -2.55 2.38 0.00 -1.58 1.02 -0.29 -4.66 120.64 114.96 1cee n GLU 95 Ca -0.11 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.13 1cee n GLU 95 Cb 0.75 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.33 0.00 -0.02 3.49 5.02 0.47 -4.71 118.16 122.08 1cee n LYS 96 Ca 0.25 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1cee n LYS 96 Cb 0.76 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.68 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 0.78 0.12 2.13 4.06 -0.40 -3.07 115.95 119.56 1cee h TRP 97 Ca 0.00 -0.35 -0.18 0.00 2.06 0.00 0.00 58.89 60.42 1cee h TRP 97 Cb 0.00 -0.12 0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1cee h TRP 97 CO 0.00 1.14 -0.84 0.28 -3.56 0.00 0.00 178.44 175.46 1cee h VAL 98 N 0.20 1.44 -0.78 1.49 2.07 -1.74 -3.34 116.25 115.60 1cee h VAL 98 Ca -0.04 -2.48 0.18 0.00 0.82 0.00 0.00 66.70 65.17 1cee h VAL 98 Cb 1.22 3.11 -0.05 0.00 -1.52 0.00 0.00 31.29 34.05 1cee h VAL 98 CO 0.12 0.69 0.53 -0.65 0.02 0.00 0.00 177.57 178.28 1cee h PRO 99 N -0.45 0.30 0.00 1.57 0.11 -1.83 0.30 132.00 132.00 1cee h PRO 99 Ca -0.16 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1cee h PRO 99 Cb 1.58 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.62 1cee h PRO 99 CO 0.11 0.20 -0.03 0.93 -0.21 0.00 0.00 178.00 178.99 1cee h GLU 100 N 0.31 0.00 0.12 1.05 4.39 -1.65 -0.17 114.58 118.63 1cee h GLU 100 Ca 0.39 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.78 1cee h GLU 100 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1cee h GLU 100 CO -0.11 0.03 -1.60 0.82 -1.16 0.00 0.00 179.01 177.00 1cee h ILE 101 N 0.00 0.90 0.00 3.13 2.04 -0.63 -3.34 117.51 119.61 1cee h ILE 101 Ca -0.00 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.48 1cee h ILE 101 Cb 0.06 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1cee h ILE 101 CO 0.00 0.74 -0.01 0.71 0.00 0.00 0.00 178.15 179.60 1cee h THR 102 N -0.21 0.73 -0.02 -0.27 1.35 -0.80 0.72 112.91 114.41 1cee h THR 102 Ca -0.35 -0.03 -0.10 0.00 -0.55 0.00 0.00 66.41 65.38 1cee h THR 102 Cb 1.84 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 1cee h THR 102 CO 0.06 0.01 -0.45 0.45 -0.25 0.00 0.00 175.52 175.34 1cee h HIS 103 N 0.00 0.06 0.07 4.73 3.86 -1.16 -2.60 115.15 120.11 1cee h HIS 103 Ca -0.00 -0.02 -0.36 0.00 -1.16 0.00 0.00 60.37 58.83 1cee h HIS 103 Cb 0.02 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1cee h HIS 103 CO 0.00 0.49 -2.06 0.72 0.86 0.00 0.00 177.93 177.94 1cee n HIS 104 N -4.00 0.83 -3.33 2.45 -0.00 -0.04 -4.85 115.22 106.27 1cee n HIS 104 Ca -0.02 0.20 -0.14 0.00 -0.00 0.00 0.00 57.72 57.77 1cee n HIS 104 Cb 0.48 -1.10 -0.06 0.00 -0.00 0.00 0.00 29.99 29.30 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 4.24 0.95 -0.04 0.00 -0.04 -0.98 -3.30 135.00 135.83 1cee n PRO 106 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1cee n PRO 106 Cb 0.47 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.75 1.86 -2.16 0.54 0.00 -1.26 -5.02 118.16 111.37 1cee n LYS 107 Ca 0.12 -0.03 -0.36 0.00 -0.00 0.00 0.00 58.31 58.03 1cee n LYS 107 Cb 0.05 -1.24 0.01 0.00 -0.00 0.00 0.00 35.03 33.85 1cee n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1cee s THR 108 N -2.36 2.91 0.71 0.58 -4.23 -1.21 -4.99 115.64 107.06 1cee s THR 108 Ca -0.04 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 1cee s THR 108 Cb 0.04 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.63 1cee s THR 108 CO 0.40 -0.07 1.25 -2.16 -0.54 0.00 0.00 174.62 173.49 1cee s PRO 109 N -3.05 2.19 -0.38 3.99 0.04 -1.22 -4.98 135.00 131.58 1cee s PRO 109 Ca 0.70 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.66 1cee s PRO 109 Cb -0.29 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1cee s PRO 109 CO 0.33 -1.83 0.18 -0.06 0.04 0.00 0.00 177.00 175.66 1cee s PHE 110 N -1.75 1.80 -0.06 0.56 0.08 -1.26 -3.06 117.98 114.28 1cee s PHE 110 Ca 0.78 -2.13 -0.30 0.00 0.12 0.00 0.00 56.93 55.41 1cee s PHE 110 Cb -0.33 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1cee s PHE 110 CO 0.44 -0.82 1.62 -1.17 -0.10 0.00 0.00 175.22 175.18 1cee s LEU 111 N 0.86 4.31 -0.74 -0.37 1.98 0.12 -2.71 118.68 122.14 1cee s LEU 111 Ca 0.15 2.19 -0.21 0.00 -2.89 0.00 0.00 54.13 53.37 1cee s LEU 111 Cb -0.22 -3.53 0.09 0.00 0.66 0.00 0.00 46.19 43.19 1cee s LEU 111 CO -0.08 -0.91 1.00 -0.22 -1.89 0.00 0.00 176.35 174.25 1cee s LEU 112 N 3.94 4.64 0.01 -0.68 2.96 -0.82 -1.72 118.68 127.00 1cee s LEU 112 Ca 0.72 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.08 1cee s LEU 112 Cb -0.32 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 1cee s LEU 112 CO 0.28 -1.31 0.64 -0.69 -1.32 0.00 0.00 176.35 173.95 1cee s VAL 113 N 3.58 4.85 -0.25 1.68 1.01 0.50 -0.61 120.40 131.16 1cee s VAL 113 Ca 0.25 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.59 1cee s VAL 113 Cb -0.14 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1cee s VAL 113 CO 0.04 0.41 -0.12 -0.83 0.00 0.00 0.00 175.10 174.60 1cee s GLY 114 N -0.20 1.62 0.40 4.51 0.00 0.23 -1.47 107.32 112.40 1cee s GLY 114 Ca 0.33 -1.66 0.08 0.00 0.00 0.00 0.00 44.72 43.46 1cee s GLY 114 CO 0.19 0.55 0.42 -1.59 0.00 0.00 0.00 173.10 172.67 1cee s THR 115 N 1.15 2.93 -0.18 0.90 2.01 0.24 0.12 115.64 122.82 1cee s THR 115 Ca -0.06 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.70 1cee s THR 115 Cb -0.19 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1cee s THR 115 CO -0.06 -0.03 0.15 0.00 -0.69 0.00 0.00 174.62 173.99 1cee n GLN 116 N -1.61 -1.01 0.07 4.92 1.13 -1.25 -0.76 117.38 118.87 1cee n GLN 116 Ca 0.04 0.12 -0.04 0.00 -1.94 0.00 0.00 57.00 55.17 1cee n GLN 116 Cb 0.61 -2.97 -0.08 0.00 0.11 0.00 0.00 30.24 27.90 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 -0.32 1.37 -0.97 5.09 2.04 -1.85 -3.33 117.51 119.54 1cee h ILE 117 Ca -0.08 -2.99 0.16 0.00 1.00 0.00 0.00 64.86 62.95 1cee h ILE 117 Cb 1.05 2.67 -0.17 0.00 -0.74 0.00 0.00 36.82 39.63 1cee h ILE 117 CO 0.07 0.78 -0.35 0.44 0.00 0.00 0.00 178.15 179.10 1cee h ASP 118 N 0.00 -1.28 0.41 1.72 5.19 -1.94 0.16 116.42 120.68 1cee h ASP 118 Ca -0.04 0.30 -0.23 0.00 -0.62 0.00 0.00 57.03 56.44 1cee h ASP 118 Cb 1.68 0.71 0.00 0.00 0.18 0.00 0.00 39.33 41.90 1cee h ASP 118 CO 0.11 -0.30 -0.97 -0.07 -3.12 0.00 0.00 179.24 174.88 1cee h LEU 119 N -0.01 0.48 -1.99 1.55 -0.00 -1.95 -3.20 115.31 110.19 1cee h LEU 119 Ca 0.37 -0.40 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1cee h LEU 119 Cb 0.63 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1cee h LEU 119 CO -0.98 1.22 0.35 -0.09 -0.00 0.00 0.00 178.44 178.94 1cee h ARG 120 N 0.19 0.00 -0.49 1.13 1.12 -0.81 1.16 114.38 116.68 1cee h ARG 120 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1cee h ARG 120 Cb 1.62 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.58 1cee h ARG 120 CO 0.17 0.00 0.00 -3.47 -3.11 0.00 0.00 179.97 173.56 1cee n ASP 121 N -3.04 4.46 -3.95 -3.80 -0.08 -0.87 -4.76 116.55 104.52 1cee n ASP 121 Ca -0.00 -2.62 -0.30 0.00 -1.51 0.00 0.00 54.79 50.36 1cee n ASP 121 Cb 0.42 -0.54 -0.11 0.00 2.34 0.00 0.00 41.12 43.24 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cee s ASP 122 N -1.17 5.09 0.33 1.67 -1.08 0.40 -4.95 116.67 116.96 1cee s ASP 122 Ca 0.46 -3.82 0.11 0.00 -0.52 0.00 0.00 52.55 48.78 1cee s ASP 122 Cb 0.32 -1.70 1.01 0.00 -1.46 0.00 0.00 42.92 41.09 1cee s ASP 122 CO 0.18 -0.11 1.62 -0.65 0.52 0.00 0.00 175.17 176.73 1cee h PRO 123 N 5.55 0.15 -1.03 4.34 0.11 -1.86 0.29 132.00 139.55 1cee h PRO 123 Ca 0.14 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.52 1cee h PRO 123 Cb 0.77 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.73 1cee h PRO 123 CO 0.75 0.10 0.63 0.77 -0.21 0.00 0.00 178.00 180.04 1cee h SER 124 N 0.15 0.56 0.07 -2.05 0.02 -1.93 0.44 113.55 110.80 1cee h SER 124 Ca 0.70 0.12 -0.34 0.00 -0.84 0.00 0.00 61.79 61.43 1cee h SER 124 Cb 1.62 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.17 1cee h SER 124 CO -0.72 0.06 -1.91 0.35 -1.14 0.00 0.00 176.83 173.47 1cee n THR 125 N -4.80 1.67 -0.21 -2.27 -2.24 0.86 -3.09 114.28 104.20 1cee n THR 125 Ca 0.27 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1cee n THR 125 Cb 0.85 -1.78 0.12 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.27 0.53 0.00 2.28 2.04 -0.25 0.15 117.51 121.98 1cee h ILE 126 Ca -0.44 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1cee h ILE 126 Cb 1.81 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1cee h ILE 126 CO -0.04 0.03 -0.63 -0.33 0.00 0.00 0.00 178.15 177.18 1cee h GLU 127 N 0.17 0.00 -0.39 2.37 5.08 -0.35 0.12 114.58 121.58 1cee h GLU 127 Ca 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1cee h GLU 127 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1cee h GLU 127 CO -0.49 0.63 0.22 -0.22 -1.00 0.00 0.00 179.01 178.15 1cee h LYS 128 N 0.00 0.54 0.00 2.33 3.64 -0.71 -3.17 116.57 119.20 1cee h LYS 128 Ca -0.01 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1cee h LYS 128 Cb 1.30 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1cee h LYS 128 CO 0.08 0.43 -1.77 1.47 -2.27 0.00 0.00 179.45 177.39 1cee n LEU 129 N -4.75 0.40 -0.15 5.20 -0.00 -0.31 -4.12 117.00 113.28 1cee n LEU 129 Ca 0.00 0.17 0.28 0.00 -0.00 0.00 0.00 56.01 56.46 1cee n LEU 129 Cb 0.07 0.14 0.62 0.00 -0.00 0.00 0.00 43.42 44.25 1cee n LEU 129 CO 0.35 0.15 1.26 0.00 -0.00 0.00 0.00 177.39 179.15 1cee h ALA 130 N 1.55 2.75 0.00 1.47 0.00 -0.59 0.18 119.26 124.62 1cee h ALA 130 Ca -0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1cee h ALA 130 Cb 1.51 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 1cee h ALA 130 CO 0.02 -1.38 -0.50 1.63 0.00 0.00 0.00 179.25 179.02 1cee n LYS 131 N -3.57 0.76 -0.03 0.00 4.76 -1.25 -4.76 118.16 114.07 1cee n LYS 131 Ca 0.19 -2.27 -0.03 0.00 -2.87 0.00 0.00 58.31 53.33 1cee n LYS 131 Cb 1.21 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 33.43 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cee n ASN 132 N -0.55 3.75 0.00 4.39 3.02 0.62 -5.02 115.26 121.47 1cee n ASN 132 Ca 0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1cee n ASN 132 Cb 0.79 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 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 -2.34 0.00 -4.35 3.52 2.85 -1.10 -5.10 118.16 111.64 1cee n LYS 133 Ca -0.09 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.92 1cee n LYS 133 Cb 0.64 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.93 1cee n LYS 133 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1cee s GLN 134 N 0.00 2.10 -0.22 -1.58 0.74 -1.16 -5.06 119.66 114.47 1cee s GLN 134 Ca 0.00 -1.92 -0.27 0.00 0.05 0.00 0.00 55.36 53.22 1cee s GLN 134 Cb 0.00 -1.85 0.11 0.00 1.10 0.00 0.00 33.01 32.37 1cee s GLN 134 CO 0.00 -0.04 0.94 -1.59 -0.55 0.00 0.00 175.29 174.05 1cee s LYS 135 N -3.79 0.64 0.95 1.67 0.00 -1.26 -2.81 119.74 115.13 1cee s LYS 135 Ca 0.38 0.49 -0.13 0.00 0.00 0.00 0.00 55.97 56.71 1cee s LYS 135 Cb 0.05 0.31 0.16 0.00 0.00 0.00 0.00 37.83 38.35 1cee s LYS 135 CO 0.20 -0.13 1.14 -1.25 0.00 0.00 0.00 175.35 175.32 1cee s PRO 136 N -0.28 0.79 0.25 1.78 0.04 -1.26 -3.71 135.00 132.61 1cee s PRO 136 Ca -0.00 0.22 0.06 0.00 0.04 0.00 0.00 61.00 61.32 1cee s PRO 136 Cb -0.03 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1cee s PRO 136 CO -0.01 -2.42 0.30 0.42 0.04 0.00 0.00 177.00 175.33 1cee s ILE 137 N -3.27 4.94 0.19 0.56 -1.09 0.16 -4.95 121.20 117.74 1cee s ILE 137 Ca 0.65 -1.14 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 1cee s ILE 137 Cb -0.14 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1cee s ILE 137 CO 0.54 -0.33 0.15 0.42 -1.23 0.00 0.00 174.94 174.48 1cee s THR 138 N -2.04 4.43 0.49 2.92 -4.23 -1.26 -4.95 115.64 111.00 1cee s THR 138 Ca 0.34 -1.20 0.19 0.00 -1.18 0.00 0.00 61.69 59.83 1cee s THR 138 Cb -0.09 -3.30 0.34 0.00 1.34 0.00 0.00 72.50 70.79 1cee s THR 138 CO 0.28 -0.18 2.03 -0.65 -0.54 0.00 0.00 174.62 175.56 1cee h PRO 139 N 2.15 0.14 0.06 3.99 0.11 -2.00 0.14 132.00 136.59 1cee h PRO 139 Ca -0.48 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 1cee h PRO 139 Cb 1.21 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1cee h PRO 139 CO 0.62 0.09 -1.11 0.93 -0.21 0.00 0.00 178.00 178.33 1cee h GLU 140 N 0.14 0.54 -0.41 1.05 5.08 -1.99 -1.52 114.58 117.47 1cee h GLU 140 Ca 0.19 -0.66 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 1cee h GLU 140 Cb 0.56 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1cee h GLU 140 CO -0.02 1.27 -0.26 1.15 -1.00 0.00 0.00 179.01 180.14 1cee h THR 141 N 0.27 1.27 -0.04 1.13 2.02 -1.57 -2.44 112.91 113.55 1cee h THR 141 Ca -0.14 -1.41 -0.20 0.00 0.77 0.00 0.00 66.41 65.44 1cee h THR 141 Cb 1.77 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1cee h THR 141 CO 0.20 0.47 -0.81 0.00 0.37 0.00 0.00 175.52 175.76 1cee h ALA 142 N 0.96 0.52 -0.12 6.16 0.00 -0.84 -3.21 119.26 122.72 1cee h ALA 142 Ca 0.09 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1cee h ALA 142 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1cee h ALA 142 CO 0.07 0.80 -0.02 1.49 0.00 0.00 0.00 179.25 181.58 1cee h GLU 143 N 0.24 0.01 -0.80 0.00 4.22 -1.16 -1.86 114.58 115.24 1cee h GLU 143 Ca -0.05 -0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.53 1cee h GLU 143 Cb 1.41 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 1cee h GLU 143 CO 0.14 0.01 -0.32 -0.22 -2.18 0.00 0.00 179.01 176.43 1cee h LYS 144 N 0.01 -0.06 -0.38 1.92 3.64 -1.44 0.63 116.57 120.90 1cee h LYS 144 Ca 0.06 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1cee h LYS 144 Cb 0.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1cee h LYS 144 CO -0.12 -0.04 0.18 -0.07 -2.27 0.00 0.00 179.45 177.13 1cee h LEU 145 N -0.06 0.26 -1.97 5.20 3.38 -1.54 1.41 115.31 121.98 1cee h LEU 145 Ca 0.32 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.51 1cee h LEU 145 Cb 0.58 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1cee h LEU 145 CO -0.84 0.19 0.55 0.00 0.09 0.00 0.00 178.44 178.44 1cee h ALA 146 N 1.20 2.57 0.03 1.53 0.00 0.96 1.08 119.26 126.62 1cee h ALA 146 Ca 0.16 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.68 1cee h ALA 146 Cb 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1cee h ALA 146 CO -0.12 -0.90 -2.24 0.54 0.00 0.00 0.00 179.25 176.53 1cee n ARG 147 N -4.10 0.68 0.18 0.00 1.74 0.35 0.11 116.66 115.62 1cee n ARG 147 Ca 0.14 0.16 0.03 0.00 -0.77 0.00 0.00 57.85 57.40 1cee n ARG 147 Cb 0.81 -1.60 0.35 0.00 -1.02 0.00 0.00 32.46 30.99 1cee n ARG 147 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1cee h ASP 148 N 0.02 0.00 -0.61 0.55 3.32 0.33 -2.62 116.42 117.40 1cee h ASP 148 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1cee h ASP 148 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 1cee h ASP 148 CO 0.00 0.40 0.00 0.18 -1.72 0.00 0.00 179.24 178.11 1cee n LEU 149 N -3.92 5.11 -1.55 1.55 4.77 0.36 -4.91 117.00 118.41 1cee n LEU 149 Ca -0.01 -2.59 -0.19 0.00 -0.03 0.00 0.00 56.01 53.18 1cee n LEU 149 Cb 0.45 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1cee n LEU 149 CO 0.38 0.73 -0.19 0.29 -1.33 0.00 0.00 177.39 177.28 1cee n LYS 150 N 0.93 -1.44 -1.83 3.23 4.76 -0.99 -4.89 118.16 117.93 1cee n LYS 150 Ca 0.26 1.16 -0.42 0.00 -2.87 0.00 0.00 58.31 56.44 1cee n LYS 150 Cb 1.01 -5.52 -0.03 0.00 -1.84 0.00 0.00 35.03 28.65 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cee s ALA 151 N -2.65 3.86 0.28 7.82 0.00 0.30 -4.60 121.76 126.77 1cee s ALA 151 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1cee s ALA 151 Cb 0.00 -3.66 0.67 0.00 0.00 0.00 0.00 23.12 20.13 1cee s ALA 151 CO 0.00 -0.86 1.70 -0.39 0.00 0.00 0.00 175.76 176.21 1cee h VAL 152 N 3.90 0.49 -1.57 0.00 -1.51 -1.73 -3.42 116.25 112.42 1cee h VAL 152 Ca -0.43 -0.13 0.17 0.00 -1.23 0.00 0.00 66.70 65.08 1cee h VAL 152 Cb 1.20 0.07 -0.21 0.00 -2.13 0.00 0.00 31.29 30.22 1cee h VAL 152 CO 0.93 0.07 0.70 -0.54 -1.23 0.00 0.00 177.57 177.51 1cee s LYS 153 N -5.92 0.44 -0.21 5.19 1.02 -1.26 -5.06 119.74 113.93 1cee s LYS 153 Ca -0.12 -0.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1cee s LYS 153 Cb 0.24 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.71 1cee s LYS 153 CO 0.77 -0.17 0.32 -0.47 -0.92 0.00 0.00 175.35 174.88 1cee s TYR 154 N -1.89 3.37 -0.02 3.18 5.04 -1.26 -1.95 117.35 123.82 1cee s TYR 154 Ca 0.05 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.15 1cee s TYR 154 Cb -0.01 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1cee s TYR 154 CO -0.04 0.04 0.07 0.14 -1.34 0.00 0.00 175.55 174.42 1cee s VAL 155 N 1.14 0.02 0.24 3.14 -7.23 0.22 -5.00 120.40 112.93 1cee s VAL 155 Ca 0.15 -0.20 0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1cee s VAL 155 Cb -0.14 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1cee s VAL 155 CO 0.06 -0.11 0.18 -1.83 -0.31 0.00 0.00 175.10 173.10 1cee s GLU 156 N -0.31 2.90 -0.25 4.82 1.03 -1.26 0.75 118.70 126.37 1cee s GLU 156 Ca -0.04 -1.04 -0.22 0.00 0.03 0.00 0.00 54.97 53.70 1cee s GLU 156 Cb -0.03 -2.56 0.07 0.00 -0.80 0.00 0.00 34.13 30.81 1cee s GLU 156 CO 0.00 0.41 0.66 0.00 -1.33 0.00 0.00 175.26 175.00 1cee s SER 158 N 0.46 1.70 0.42 0.00 0.15 -1.19 -3.96 113.70 111.30 1cee s SER 158 Ca -0.01 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 56.69 1cee s SER 158 Cb -0.05 -0.37 0.59 0.00 -1.71 0.00 0.00 66.02 64.48 1cee s SER 158 CO -0.01 -0.24 1.69 0.00 1.20 0.00 0.00 173.24 175.88 1cee h ALA 159 N 8.35 0.93 0.01 5.45 0.00 -1.93 1.40 119.26 133.48 1cee h ALA 159 Ca -0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1cee h ALA 159 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1cee h ALA 159 CO 0.24 0.21 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 1cee h LEU 160 N 0.00 -0.02 0.00 0.00 7.12 -1.96 -3.36 115.31 117.10 1cee h LEU 160 Ca -0.00 -0.52 -0.01 0.00 0.13 0.00 0.00 57.88 57.48 1cee h LEU 160 Cb 0.95 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1cee h LEU 160 CO 0.02 0.51 -1.96 0.41 -0.13 0.00 0.00 178.44 177.30 1cee n THR 161 N -4.84 0.05 -1.26 1.05 -1.04 -1.23 -4.99 114.28 102.01 1cee n THR 161 Ca -0.09 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 61.40 1cee n THR 161 Cb 0.27 0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.24 -0.27 -2.07 -2.82 6.02 0.48 -4.96 117.38 111.52 1cee n GLN 162 Ca -0.05 0.56 -0.38 0.00 -0.01 0.00 0.00 57.00 57.12 1cee n GLN 162 Cb 0.56 -4.23 -0.03 0.00 1.02 0.00 0.00 30.24 27.56 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 -2.62 2.66 0.00 -1.09 2.47 -1.16 -3.08 119.74 116.92 1cee s LYS 163 Ca 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 1cee s LYS 163 Cb 0.00 -4.40 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 1cee s LYS 163 CO 0.00 -2.72 0.00 0.41 0.16 0.00 0.00 175.35 173.20 1cee n GLY 164 N 5.73 2.28 0.32 5.54 0.00 -1.26 -3.15 105.19 114.64 1cee n GLY 164 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.43 0.11 0.99 5.85 -1.66 -0.89 115.31 119.28 1cee h LEU 165 Ca 0.00 0.24 -0.28 0.00 0.84 0.00 0.00 57.88 58.68 1cee h LEU 165 Cb 0.00 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1cee h LEU 165 CO 0.00 -0.27 -1.31 0.50 -0.34 0.00 0.00 178.44 177.02 1cee h LYS 166 N 0.06 0.23 0.46 1.25 3.64 -1.90 -3.33 116.57 116.99 1cee h LYS 166 Ca 0.51 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1cee h LYS 166 Cb 0.97 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1cee h LYS 166 CO -0.81 1.15 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.27 1cee h ASN 167 N 0.06 -0.91 -0.15 4.20 4.21 -1.54 -2.91 115.58 118.53 1cee h ASN 167 Ca -0.16 0.07 0.01 0.00 1.21 0.00 0.00 56.30 57.43 1cee h ASN 167 Cb 1.97 0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 39.44 1cee h ASN 167 CO 0.18 -0.52 -0.10 1.62 -1.29 0.00 0.00 177.43 177.32 1cee h VAL 168 N -0.80 0.00 -1.33 2.81 3.04 -1.46 0.22 116.25 118.74 1cee h VAL 168 Ca -0.05 0.00 0.40 0.00 -1.01 0.00 0.00 66.70 66.04 1cee h VAL 168 Cb 0.68 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.87 1cee h VAL 168 CO 0.01 0.00 0.90 -0.26 -1.01 0.00 0.00 177.57 177.20 1cee h PHE 169 N -0.01 0.37 0.00 3.17 0.04 -1.66 1.38 116.94 120.22 1cee h PHE 169 Ca 0.02 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1cee h PHE 169 Cb 0.08 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1cee h PHE 169 CO -0.89 -0.07 -0.22 0.22 -0.60 0.00 0.00 178.31 176.75 1cee h ASP 170 N 0.12 0.00 0.76 2.17 3.58 -0.36 -2.37 116.42 120.33 1cee h ASP 170 Ca 0.74 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.94 1cee h ASP 170 Cb 2.45 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.47 1cee h ASP 170 CO -0.25 0.22 -1.29 -0.33 -2.88 0.00 0.00 179.24 174.72 1cee h GLU 171 N 0.00 0.05 0.24 0.28 3.07 0.22 -3.09 114.58 115.34 1cee h GLU 171 Ca -0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1cee h GLU 171 Cb 0.43 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1cee h GLU 171 CO 0.03 0.89 -0.14 0.00 -1.40 0.00 0.00 179.01 178.39 1cee h ALA 172 N 0.90 -1.03 -0.50 3.43 0.00 -0.85 0.79 119.26 122.00 1cee h ALA 172 Ca -0.13 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1cee h ALA 172 Cb 1.88 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.79 1cee h ALA 172 CO 0.12 -1.01 -0.20 0.82 0.00 0.00 0.00 179.25 178.98 1cee h ILE 173 N -0.35 0.37 -0.53 0.00 5.03 -1.67 0.71 117.51 121.06 1cee h ILE 173 Ca -0.03 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.86 1cee h ILE 173 Cb 0.27 0.37 -0.02 0.00 -3.03 0.00 0.00 36.82 34.41 1cee h ILE 173 CO 0.04 0.00 0.43 0.25 -0.68 0.00 0.00 178.15 178.18 1cee h LEU 174 N -0.09 0.00 0.00 1.44 5.85 -1.48 -1.12 115.31 119.91 1cee h LEU 174 Ca 0.24 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1cee h LEU 174 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1cee h LEU 174 CO -0.56 0.00 -0.36 0.00 -0.34 0.00 0.00 178.44 177.18 1cee h ALA 175 N 1.65 0.07 -0.11 1.25 0.00 0.27 -3.38 119.26 119.02 1cee h ALA 175 Ca 0.25 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1cee h ALA 175 Cb 1.10 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1cee h ALA 175 CO -0.00 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 179.09 1cee h ALA 176 N -0.27 -0.49 -2.95 0.00 0.00 0.25 -3.42 119.26 112.38 1cee h ALA 176 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1cee h ALA 176 Cb 0.97 0.68 0.05 0.00 0.00 0.00 0.00 17.79 19.48 1cee h ALA 176 CO -0.06 -0.86 -0.04 1.28 0.00 0.00 0.00 179.25 179.58 1cee n LEU 177 N -5.43 0.00 -3.60 0.00 4.77 -0.48 -4.90 117.00 107.36 1cee n LEU 177 Ca -0.04 -0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1cee n LEU 177 Cb 0.35 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1cee n LEU 177 CO 0.14 -1.76 0.85 -1.83 -1.33 0.00 0.00 177.39 173.46 1cee s GLU 178 N -3.21 0.67 0.00 3.23 -1.05 -1.26 -4.99 118.70 112.10 1cee s GLU 178 Ca 0.14 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 1cee s GLU 178 Cb -0.02 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1cee s GLU 178 CO 0.12 -0.30 0.15 -0.35 0.95 0.00 0.00 175.26 175.82