#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 0.27 -0.03 0.03 1.11 -1.26 -5.11 119.66 114.67 1cee s GLN 2 Ca 0.00 0.52 -0.01 0.00 0.01 0.00 0.00 55.36 55.88 1cee s GLN 2 Cb 0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 33.01 32.02 1cee s GLN 2 CO 0.00 -0.12 0.03 0.99 0.01 0.00 0.00 175.29 176.20 1cee s THR 3 N 0.90 -0.02 -0.03 -0.19 2.01 -1.26 -1.13 115.64 115.92 1cee s THR 3 Ca -0.06 0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 1cee s THR 3 Cb -0.07 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1cee s THR 3 CO -0.06 0.14 0.37 -0.63 -0.69 0.00 0.00 174.62 173.75 1cee s ILE 4 N 1.48 5.11 -0.41 1.82 1.09 -0.58 -4.92 121.20 124.79 1cee s ILE 4 Ca -0.04 0.75 -0.15 0.00 -1.10 0.00 0.00 60.65 60.11 1cee s ILE 4 Cb -0.13 -3.67 0.02 0.00 -1.06 0.00 0.00 42.46 37.62 1cee s ILE 4 CO -0.03 0.56 0.30 -0.75 -0.10 0.00 0.00 174.94 174.92 1cee s LYS 5 N -0.88 3.01 -0.01 2.79 2.47 -1.26 0.48 119.74 126.34 1cee s LYS 5 Ca 0.22 -0.98 0.08 0.00 -1.56 0.00 0.00 55.97 53.73 1cee s LYS 5 Cb -0.16 -3.97 -0.02 0.00 -1.46 0.00 0.00 37.83 32.22 1cee s LYS 5 CO 0.11 -0.73 -0.25 0.00 0.16 0.00 0.00 175.35 174.64 1cee s VAL 7 N -0.61 -0.02 -0.18 0.00 0.11 -1.26 -2.21 120.40 116.23 1cee s VAL 7 Ca 0.10 0.06 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 1cee s VAL 7 Cb -0.10 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1cee s VAL 7 CO -0.01 0.02 0.75 -0.69 -3.33 0.00 0.00 175.10 171.85 1cee s VAL 8 N 0.44 4.94 -0.04 2.04 1.01 -1.10 -2.35 120.40 125.33 1cee s VAL 8 Ca -0.03 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.46 1cee s VAL 8 Cb -0.04 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1cee s VAL 8 CO -0.02 0.06 -0.24 0.68 0.00 0.00 0.00 175.10 175.58 1cee s VAL 9 N 2.07 1.96 0.00 2.92 -7.23 -0.38 -4.01 120.40 115.73 1cee s VAL 9 Ca 0.34 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1cee s VAL 9 Cb -0.16 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.13 1cee s VAL 9 CO 0.11 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 176.06 1cee n GLY 10 N 2.81 3.51 3.54 2.32 0.00 -1.26 -3.14 105.19 112.97 1cee n GLY 10 Ca -0.17 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 5.94 0.00 1.61 2.15 -1.26 -4.23 116.67 120.88 1cee s ASP 11 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1cee s ASP 11 Cb 0.00 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1cee s ASP 11 CO 0.00 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1cee n GLY 12 N 5.06 3.09 3.08 2.66 0.00 -1.24 -4.97 105.19 112.88 1cee n GLY 12 Ca -0.14 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.85 4.88 1.50 4.61 0.00 -1.26 -4.50 120.51 123.90 1cee n ALA 13 Ca 0.00 -4.46 0.13 0.00 0.00 0.00 0.00 53.44 49.12 1cee n ALA 13 Cb 0.00 -2.79 0.75 0.00 0.00 0.00 0.00 19.45 17.41 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 3.05 0.07 -1.76 0.00 0.24 -1.26 -4.93 118.33 113.75 1cee n VAL 14 Ca 0.34 0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.65 1cee n VAL 14 Cb 0.37 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 0.82 -0.67 0.25 7.63 0.00 -1.26 -4.77 105.19 107.18 1cee n GLY 15 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.25 0.52 0.00 1.61 6.56 -1.92 -1.31 116.57 122.28 1cee h LYS 16 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1cee h LYS 16 Cb 0.50 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1cee h LYS 16 CO 0.04 0.35 0.00 2.41 -2.06 0.00 0.00 179.45 180.19 1cee n THR 17 N -4.90 0.50 0.05 -0.16 -1.04 -1.26 -3.12 114.28 104.35 1cee n THR 17 Ca 0.09 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1cee n THR 17 Cb 0.25 -0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 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 -0.74 0.87 -0.90 0.00 6.46 -1.71 -2.10 115.31 117.19 1cee h LEU 19 Ca -0.02 -0.70 0.12 0.00 -0.12 0.00 0.00 57.88 57.16 1cee h LEU 19 Cb 0.16 -0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 39.74 1cee h LEU 19 CO 0.03 1.50 0.53 -0.07 -0.62 0.00 0.00 178.44 179.82 1cee h LEU 20 N 0.37 0.74 0.05 2.25 3.38 -1.74 0.35 115.31 120.72 1cee h LEU 20 Ca -0.13 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 1cee h LEU 20 Cb 1.69 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.38 1cee h LEU 20 CO 0.20 0.38 -0.84 0.40 0.09 0.00 0.00 178.44 178.68 1cee h ILE 21 N 0.83 1.39 0.00 1.22 1.08 -1.58 -3.07 117.51 117.37 1cee h ILE 21 Ca 0.46 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 1cee h ILE 21 Cb 0.50 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1cee h ILE 21 CO -0.29 0.67 0.00 -0.24 -0.69 0.00 0.00 178.15 177.60 1cee n SER 22 N -4.06 0.12 -0.08 1.72 2.88 -0.57 0.71 113.62 114.33 1cee n SER 22 Ca -0.12 0.54 -0.11 0.00 -1.33 0.00 0.00 58.87 57.85 1cee n SER 22 Cb 0.80 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 63.64 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cee n TYR 23 N -1.65 0.97 0.01 0.66 9.36 0.06 -2.87 117.16 123.71 1cee n TYR 23 Ca 0.01 0.42 -0.11 0.00 3.32 0.00 0.00 57.90 61.55 1cee n TYR 23 Cb 0.09 -0.90 -0.14 0.00 -0.63 0.00 0.00 39.34 37.77 1cee n TYR 23 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cee h THR 24 N -1.00 1.04 0.00 2.97 1.03 -1.46 -3.36 112.91 112.13 1cee h THR 24 Ca -0.13 -2.82 0.00 0.00 -0.01 0.00 0.00 66.41 63.45 1cee h THR 24 Cb 0.80 2.56 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 1cee h THR 24 CO -0.08 0.67 -1.23 0.35 -0.01 0.00 0.00 175.52 175.22 1cee n THR 25 N -3.20 0.00 -1.92 0.00 -2.24 0.22 -4.97 114.28 102.17 1cee n THR 25 Ca -0.15 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 1cee n THR 25 Cb 1.03 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.68 -5.69 -4.65 3.42 3.02 -0.44 -4.90 115.26 104.34 1cee n ASN 26 Ca 0.02 0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 54.64 1cee n ASN 26 Cb 0.38 -4.90 -0.07 0.00 -0.61 0.00 0.00 39.78 34.58 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 -4.28 2.25 -0.50 3.52 2.47 -1.22 -4.88 119.74 117.11 1cee s LYS 27 Ca 0.00 -1.49 0.03 0.00 -1.56 0.00 0.00 55.97 52.96 1cee s LYS 27 Cb 0.00 -2.12 0.14 0.00 -1.46 0.00 0.00 37.83 34.39 1cee s LYS 27 CO 0.00 0.31 0.29 0.12 0.16 0.00 0.00 175.35 176.23 1cee s PHE 28 N -2.37 2.47 0.66 4.03 5.36 -1.26 -1.52 117.98 125.35 1cee s PHE 28 Ca 0.32 -2.75 -0.13 0.00 -0.96 0.00 0.00 56.93 53.41 1cee s PHE 28 Cb -0.05 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1cee s PHE 28 CO 0.20 -0.74 1.07 -1.25 -1.46 0.00 0.00 175.22 173.04 1cee s PRO 29 N -0.12 3.01 0.00 10.12 0.04 -1.26 -5.00 135.00 141.79 1cee s PRO 29 Ca 0.20 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1cee s PRO 29 Cb -0.19 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1cee s PRO 29 CO -0.04 -1.05 0.04 0.43 0.04 0.00 0.00 177.00 176.43 1cee n SER 30 N -2.66 0.09 -4.68 6.66 7.64 -1.26 -4.84 113.62 114.57 1cee n SER 30 Ca 0.08 -0.44 -0.44 0.00 1.01 0.00 0.00 58.87 59.09 1cee n SER 30 Cb 0.53 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 64.36 1cee n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cee n GLU 31 N -0.64 2.03 -3.57 1.43 1.02 -1.26 -4.98 120.64 114.66 1cee n GLU 31 Ca 0.00 0.72 -0.29 0.00 -0.02 0.00 0.00 57.16 57.56 1cee n GLU 31 Cb 0.01 -2.32 -0.15 0.00 -0.02 0.00 0.00 31.44 28.96 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1cee s TYR 32 N -0.59 0.62 0.07 -0.32 6.14 -1.26 -4.94 117.35 117.06 1cee s TYR 32 Ca 0.62 -1.11 0.00 0.00 0.64 0.00 0.00 57.07 57.21 1cee s TYR 32 Cb -0.62 -1.06 0.00 0.00 0.42 0.00 0.00 41.96 40.71 1cee s TYR 32 CO 0.56 -0.84 0.00 1.33 0.64 0.00 0.00 175.55 177.24 1cee n VAL 33 N 5.05 0.00 -0.08 3.14 0.24 -1.26 -5.16 118.33 120.26 1cee n VAL 33 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1cee n VAL 33 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1cee n VAL 33 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1cee n PRO 34 N -2.34 0.81 -0.61 7.34 -0.04 -1.26 -5.01 135.00 133.89 1cee n PRO 34 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1cee n PRO 34 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1cee n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1cee n THR 35 N -0.54 -1.83 0.00 0.52 -1.04 -1.26 -5.08 114.28 105.06 1cee n THR 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cee n THR 35 Cb 0.00 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 1cee n THR 35 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cee n VAL 36 N 0.26 0.00 -3.22 12.58 0.31 -1.26 -5.04 118.33 121.96 1cee n VAL 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1cee n VAL 36 Cb 0.00 -0.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.29 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1cee s PHE 37 N -2.00 -1.66 -0.21 3.52 5.36 -1.26 -4.17 117.98 117.56 1cee s PHE 37 Ca 0.00 0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 1cee s PHE 37 Cb 0.00 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.93 1cee s PHE 37 CO 0.00 -1.16 0.03 -0.51 -1.46 0.00 0.00 175.22 172.12 1cee s ASP 38 N 1.87 5.03 -0.27 6.13 1.01 -1.26 -5.01 116.67 124.17 1cee s ASP 38 Ca 0.16 -0.17 -0.09 0.00 0.71 0.00 0.00 52.55 53.16 1cee s ASP 38 Cb -0.05 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1cee s ASP 38 CO -0.08 0.05 0.13 0.21 0.21 0.00 0.00 175.17 175.69 1cee s ASN 39 N 1.11 5.54 0.25 0.27 2.47 -1.26 -3.74 114.94 119.56 1cee s ASN 39 Ca 0.03 -0.18 0.10 0.00 0.42 0.00 0.00 52.86 53.22 1cee s ASN 39 Cb -0.14 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.60 1cee s ASN 39 CO 0.02 -0.07 -0.04 -0.31 -3.72 0.00 0.00 177.10 172.98 1cee s TYR 40 N 1.67 2.65 -0.11 0.43 2.02 -0.44 -4.98 117.35 118.60 1cee s TYR 40 Ca 0.06 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1cee s TYR 40 Cb -0.16 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1cee s TYR 40 CO 0.07 0.61 -0.05 0.00 -1.57 0.00 0.00 175.55 174.60 1cee s ALA 41 N -2.20 1.17 0.28 3.71 0.00 -1.26 0.32 121.76 123.77 1cee s ALA 41 Ca 0.30 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1cee s ALA 41 Cb -0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1cee s ALA 41 CO 0.18 -0.46 0.32 0.08 0.00 0.00 0.00 175.76 175.89 1cee s VAL 42 N 1.78 4.54 -0.06 0.00 1.01 -0.53 -4.90 120.40 122.23 1cee s VAL 42 Ca 0.05 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1cee s VAL 42 Cb -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1cee s VAL 42 CO -0.07 -0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 173.73 1cee s THR 43 N -2.11 1.15 0.12 3.92 2.01 -1.26 -0.17 115.64 119.30 1cee s THR 43 Ca 0.37 -0.50 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 1cee s THR 43 Cb -0.08 -1.05 0.06 0.00 0.01 0.00 0.00 72.50 71.44 1cee s THR 43 CO 0.28 0.36 0.54 0.54 -0.69 0.00 0.00 174.62 175.64 1cee s VAL 44 N 0.61 0.02 -1.04 3.82 0.11 -1.02 -4.93 120.40 117.97 1cee s VAL 44 Ca -0.14 -0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 58.50 1cee s VAL 44 Cb -0.15 -1.04 0.07 0.00 -1.53 0.00 0.00 36.38 33.72 1cee s VAL 44 CO 0.04 -0.11 1.43 -0.04 -3.33 0.00 0.00 175.10 173.09 1cee s MET 45 N -3.44 3.65 -0.53 1.54 -1.94 -1.24 0.76 119.30 118.09 1cee s MET 45 Ca -0.00 -1.34 -0.16 0.00 -1.71 0.00 0.00 55.69 52.47 1cee s MET 45 Cb -0.00 -5.31 0.12 0.00 2.01 0.00 0.00 34.83 31.65 1cee s MET 45 CO -0.10 -2.14 0.50 0.42 -0.01 0.00 0.00 175.02 173.69 1cee s ILE 46 N 4.48 5.18 0.00 2.53 1.01 0.12 -4.24 121.20 130.28 1cee s ILE 46 Ca 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1cee s ILE 46 Cb -0.00 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1cee s ILE 46 CO -0.08 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.62 1cee n GLY 47 N 5.25 1.30 0.00 6.18 0.00 -1.26 -3.90 105.19 112.76 1cee n GLY 47 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 2.00 3.62 -0.02 0.00 -1.26 -5.14 105.19 102.38 1cee n GLY 48 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 0.78 -0.46 1.61 0.41 -1.25 -5.06 118.70 114.72 1cee s GLU 49 Ca 0.00 1.06 -0.17 0.00 -0.41 0.00 0.00 54.97 55.44 1cee s GLU 49 Cb 0.00 0.32 -0.17 0.00 -1.78 0.00 0.00 34.13 32.50 1cee s GLU 49 CO 0.00 -0.11 1.71 -0.35 -0.49 0.00 0.00 175.26 176.02 1cee n PRO 50 N 3.22 0.96 -0.20 0.39 -0.04 -1.21 -0.70 135.00 137.41 1cee n PRO 50 Ca -0.16 -1.31 -0.17 0.00 -0.04 0.00 0.00 63.50 61.82 1cee n PRO 50 Cb 0.56 -2.56 0.16 0.00 -0.04 0.00 0.00 33.50 31.63 1cee n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cee n TYR 51 N 6.80 -2.79 -3.97 0.54 4.01 0.23 -4.31 117.16 117.67 1cee n TYR 51 Ca 0.39 -0.37 -0.31 0.00 -0.16 0.00 0.00 57.90 57.46 1cee n TYR 51 Cb 0.28 -0.84 -0.16 0.00 -0.31 0.00 0.00 39.34 38.32 1cee n TYR 51 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1cee s THR 52 N -1.65 1.64 -0.41 -0.72 2.01 -0.28 -2.45 115.64 113.78 1cee s THR 52 Ca 0.37 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 60.85 1cee s THR 52 Cb -0.06 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1cee s THR 52 CO 0.31 -0.06 0.88 -0.22 -0.69 0.00 0.00 174.62 174.83 1cee s LEU 53 N 1.35 4.06 -0.36 4.42 1.98 0.76 -1.53 118.68 129.35 1cee s LEU 53 Ca -0.06 0.27 -0.29 0.00 -2.89 0.00 0.00 54.13 51.16 1cee s LEU 53 Cb -0.19 -3.15 0.00 0.00 0.66 0.00 0.00 46.19 43.52 1cee s LEU 53 CO -0.06 -0.91 1.42 -0.83 -1.89 0.00 0.00 176.35 174.07 1cee s GLY 54 N 2.05 1.17 -0.27 7.98 0.00 0.18 -1.45 107.32 116.98 1cee s GLY 54 Ca 0.35 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.90 1cee s GLY 54 CO 0.22 2.76 0.39 1.08 0.00 0.00 0.00 173.10 177.55 1cee s LEU 55 N 5.21 4.04 -0.02 0.66 1.43 0.15 -1.92 118.68 128.22 1cee s LEU 55 Ca 0.62 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.10 1cee s LEU 55 Cb -0.16 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 1cee s LEU 55 CO 0.30 -0.19 -0.22 -0.36 0.23 0.00 0.00 176.35 176.11 1cee s PHE 56 N 2.09 1.94 -0.11 0.29 0.40 -0.94 -1.32 117.98 120.33 1cee s PHE 56 Ca 0.16 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1cee s PHE 56 Cb -0.16 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1cee s PHE 56 CO 0.10 -0.05 -0.09 0.16 0.70 0.00 0.00 175.22 176.04 1cee s ASP 57 N -0.46 2.22 0.07 1.36 1.47 -1.25 -2.70 116.67 117.38 1cee s ASP 57 Ca 0.07 -0.34 0.02 0.00 1.18 0.00 0.00 52.55 53.49 1cee s ASP 57 Cb -0.09 -0.90 -0.04 0.00 -0.34 0.00 0.00 42.92 41.55 1cee s ASP 57 CO -0.00 -0.09 0.09 0.42 0.68 0.00 0.00 175.17 176.27 1cee s THR 58 N 1.52 4.61 -1.05 2.11 -4.23 -1.26 -4.29 115.64 113.05 1cee s THR 58 Ca 0.02 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 1cee s THR 58 Cb -0.13 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.62 1cee s THR 58 CO -0.07 0.16 1.33 0.00 -0.54 0.00 0.00 174.62 175.50 1cee s ALA 59 N -1.37 3.33 -0.76 3.99 0.00 -1.26 -4.95 121.76 120.74 1cee s ALA 59 Ca 0.29 -2.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.22 1cee s ALA 59 Cb -0.12 -4.25 -0.16 0.00 0.00 0.00 0.00 23.12 18.59 1cee s ALA 59 CO 0.21 -3.13 2.47 0.41 0.00 0.00 0.00 175.76 175.72 1cee n GLY 60 N 5.55 -0.16 3.94 0.00 0.00 -1.26 -4.73 105.19 108.53 1cee n GLY 60 Ca 0.31 0.66 0.01 0.00 0.00 0.00 0.00 46.02 47.01 1cee n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cee s GLN 61 N 8.45 0.63 -0.12 1.61 -0.21 -1.26 -3.59 119.66 125.17 1cee s GLN 61 Ca 1.13 -0.41 0.20 0.00 0.02 0.00 0.00 55.36 56.29 1cee s GLN 61 Cb -0.57 0.18 -0.28 0.00 1.00 0.00 0.00 33.01 33.34 1cee s GLN 61 CO 0.34 -0.30 0.27 0.39 -2.12 0.00 0.00 175.29 173.87 1cee n GLU 62 N -0.82 0.67 -0.02 2.91 1.02 -1.26 -4.06 120.64 119.08 1cee n GLU 62 Ca 0.01 -0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.03 1cee n GLU 62 Cb 0.59 -1.53 0.17 0.00 -0.02 0.00 0.00 31.44 30.65 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1cee h ASP 63 N 0.00 0.59 -0.67 1.62 5.19 -1.96 -2.79 116.42 118.39 1cee h ASP 63 Ca -0.31 -0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 55.76 1cee h ASP 63 Cb 1.72 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.98 1cee h ASP 63 CO 0.02 0.80 0.17 -1.22 -3.12 0.00 0.00 179.24 175.90 1cee n TYR 64 N -4.13 2.28 0.21 4.55 4.02 -1.26 -4.39 117.16 118.45 1cee n TYR 64 Ca 0.00 -1.05 0.08 0.00 -0.01 0.00 0.00 57.90 56.91 1cee n TYR 64 Cb 0.40 -0.62 0.45 0.00 -0.02 0.00 0.00 39.34 39.55 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 3.04 0.00 -1.00 7.72 1.82 -1.64 -1.79 116.42 124.58 1cee h ASP 65 Ca 0.17 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1cee h ASP 65 Cb 2.20 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 42.14 1cee h ASP 65 CO 0.64 0.29 0.64 0.03 -1.61 0.00 0.00 179.24 179.24 1cee h ARG 66 N 0.00 1.11 -0.13 0.28 2.47 -1.81 -2.66 114.38 113.65 1cee h ARG 66 Ca -0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1cee h ARG 66 Cb 0.71 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1cee h ARG 66 CO 0.04 0.74 0.00 1.47 0.56 0.00 0.00 179.97 182.77 1cee n LEU 67 N -4.51 2.88 -0.01 3.04 -0.00 -1.14 -4.70 117.00 112.56 1cee n LEU 67 Ca 0.16 -2.79 -0.17 0.00 -0.00 0.00 0.00 56.01 53.21 1cee n LEU 67 Cb 0.21 -0.38 -0.11 0.00 -0.00 0.00 0.00 43.42 43.13 1cee n LEU 67 CO 0.32 0.67 0.29 -0.09 -0.00 0.00 0.00 177.39 178.58 1cee h ARG 68 N 0.83 0.35 0.00 1.47 2.43 -0.95 -3.24 114.38 115.27 1cee h ARG 68 Ca 0.00 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1cee h ARG 68 Cb 1.05 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1cee h ARG 68 CO 0.07 1.05 -0.04 -1.35 -1.51 0.00 0.00 179.97 178.20 1cee h PRO 69 N -0.21 0.00 0.00 0.20 0.11 -1.84 -1.89 132.00 128.37 1cee h PRO 69 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1cee h PRO 69 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1cee h PRO 69 CO 0.10 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.21 1cee n LEU 70 N -3.66 0.09 -1.25 2.35 4.77 -1.22 -2.15 117.00 115.92 1cee n LEU 70 Ca -0.03 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.54 1cee n LEU 70 Cb 0.13 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 40.95 1cee n LEU 70 CO 0.27 -0.40 0.66 -0.24 -1.33 0.00 0.00 177.39 176.35 1cee n SER 71 N -1.61 3.63 -2.48 -1.43 2.88 -0.71 -4.15 113.62 109.75 1cee n SER 71 Ca 0.02 -2.43 -0.06 0.00 -1.33 0.00 0.00 58.87 55.07 1cee n SER 71 Cb 0.11 -0.54 0.04 0.00 -0.75 0.00 0.00 64.21 63.08 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1cee n TYR 72 N 0.54 1.55 -0.35 0.66 4.01 -0.91 -4.90 117.16 117.76 1cee n TYR 72 Ca 0.17 -2.04 -0.09 0.00 -0.16 0.00 0.00 57.90 55.78 1cee n TYR 72 Cb 0.73 -0.25 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.57 -0.36 -2.78 -0.72 -0.02 -1.26 -3.24 135.00 126.05 1cee n PRO 73 Ca 0.17 1.35 -0.12 0.00 -2.02 0.00 0.00 63.50 62.89 1cee n PRO 73 Cb 0.86 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.37 1cee n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1cee n GLN 74 N -4.90 1.17 -1.66 -0.52 6.02 -1.26 -5.10 117.38 111.12 1cee n GLN 74 Ca 0.02 -3.32 -0.58 0.00 -0.01 0.00 0.00 57.00 53.11 1cee n GLN 74 Cb 0.21 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.02 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1cee n THR 75 N 0.01 0.14 0.02 5.09 -1.04 -1.20 -4.84 114.28 112.46 1cee n THR 75 Ca 0.13 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 62.10 1cee n THR 75 Cb 0.78 -0.88 -0.10 0.00 -1.82 0.00 0.00 70.33 68.32 1cee n THR 75 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1cee n ASP 76 N 3.94 0.84 -3.54 8.00 8.00 -0.89 -4.99 116.55 127.91 1cee n ASP 76 Ca 0.24 0.38 -0.10 0.00 0.71 0.00 0.00 54.79 56.02 1cee n ASP 76 Cb 0.12 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cee s VAL 77 N -2.86 0.00 -0.06 2.53 0.11 -1.20 -3.87 120.40 115.05 1cee s VAL 77 Ca -0.03 -1.28 -0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1cee s VAL 77 Cb 0.09 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.53 1cee s VAL 77 CO 0.81 0.00 0.01 -0.36 -3.33 0.00 0.00 175.10 172.24 1cee s PHE 78 N -3.36 0.51 -0.71 1.54 0.08 -1.15 -4.05 117.98 110.84 1cee s PHE 78 Ca 0.21 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 1cee s PHE 78 Cb -0.03 -0.69 0.09 0.00 -0.57 0.00 0.00 43.02 41.82 1cee s PHE 78 CO 0.12 -0.27 0.97 -0.51 -0.10 0.00 0.00 175.22 175.43 1cee s LEU 79 N 1.87 4.62 -0.98 -0.37 1.02 -0.99 -0.66 118.68 123.18 1cee s LEU 79 Ca 0.03 -1.26 -0.18 0.00 0.02 0.00 0.00 54.13 52.74 1cee s LEU 79 Cb -0.12 -2.40 0.13 0.00 0.02 0.00 0.00 46.19 43.81 1cee s LEU 79 CO -0.04 -1.33 1.20 -0.69 0.02 0.00 0.00 176.35 175.51 1cee s VAL 80 N 3.64 4.72 -0.47 -1.59 1.01 -0.51 -1.25 120.40 125.96 1cee s VAL 80 Ca 0.23 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 1cee s VAL 80 Cb -0.15 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.44 1cee s VAL 80 CO 0.05 -1.56 1.12 0.00 0.00 0.00 0.00 175.10 174.72 1cee s PHE 82 N 4.36 2.37 -0.38 0.00 -0.71 0.17 -4.78 117.98 119.01 1cee s PHE 82 Ca 0.47 -0.34 -0.29 0.00 -1.04 0.00 0.00 56.93 55.73 1cee s PHE 82 Cb -0.08 -1.24 0.01 0.00 -1.21 0.00 0.00 43.02 40.51 1cee s PHE 82 CO 0.30 0.40 1.24 -1.12 -1.34 0.00 0.00 175.22 174.71 1cee s SER 83 N -2.29 6.63 0.40 1.98 0.01 -1.26 -0.31 113.70 118.86 1cee s SER 83 Ca 0.17 0.88 0.12 0.00 1.31 0.00 0.00 55.95 58.43 1cee s SER 83 Cb -0.09 -2.54 0.82 0.00 0.21 0.00 0.00 66.02 64.42 1cee s SER 83 CO 0.08 -1.17 1.91 0.58 0.41 0.00 0.00 173.24 175.05 1cee h VAL 84 N 6.11 1.19 -0.70 3.43 2.07 -1.51 -2.71 116.25 124.13 1cee h VAL 84 Ca -0.25 -0.89 -0.47 0.00 0.82 0.00 0.00 66.70 65.91 1cee h VAL 84 Cb 1.08 1.40 -0.21 0.00 -1.52 0.00 0.00 31.29 32.05 1cee h VAL 84 CO 1.07 0.26 0.60 1.33 0.02 0.00 0.00 177.57 180.86 1cee n VAL 85 N -4.23 3.09 -3.20 2.57 0.24 -1.26 0.27 118.33 115.80 1cee n VAL 85 Ca -0.02 -2.11 -0.00 0.00 -2.04 0.00 0.00 64.34 60.17 1cee n VAL 85 Cb 0.31 -1.19 -0.02 0.00 -1.47 0.00 0.00 33.84 31.47 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 -0.69 -1.00 0.64 -1.34 0.15 -1.02 -4.79 113.70 105.66 1cee s SER 86 Ca 0.45 -0.01 0.30 0.00 0.70 0.00 0.00 55.95 57.39 1cee s SER 86 Cb 0.36 1.74 1.65 0.00 -1.71 0.00 0.00 66.02 68.06 1cee s SER 86 CO 0.00 -0.31 1.96 -0.65 1.20 0.00 0.00 173.24 175.44 1cee h PRO 87 N 8.03 0.00 0.32 5.44 0.11 -1.83 -2.01 132.00 142.06 1cee h PRO 87 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1cee h PRO 87 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1cee h PRO 87 CO 0.18 0.00 -0.15 0.77 -0.21 0.00 0.00 178.00 178.59 1cee h SER 88 N 0.00 -0.36 -0.33 -2.05 0.02 -1.94 -2.50 113.55 106.39 1cee h SER 88 Ca 0.05 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1cee h SER 88 Cb 0.71 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 1cee h SER 88 CO -0.00 -0.10 -0.09 0.77 -1.14 0.00 0.00 176.83 176.27 1cee h SER 89 N -0.63 -0.32 -1.02 3.07 4.64 -1.64 -0.59 113.55 117.08 1cee h SER 89 Ca -0.04 0.10 0.24 0.00 -0.47 0.00 0.00 61.79 61.62 1cee h SER 89 Cb 0.45 0.21 -0.11 0.00 -0.31 0.00 0.00 62.40 62.64 1cee h SER 89 CO 0.07 -0.11 0.63 0.15 -0.87 0.00 0.00 176.83 176.70 1cee h PHE 90 N -0.01 0.86 0.52 4.77 3.57 -1.51 1.52 116.94 126.67 1cee h PHE 90 Ca 0.16 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1cee h PHE 90 Cb 0.25 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.74 1cee h PHE 90 CO -0.31 0.09 -0.25 0.93 -2.23 0.00 0.00 178.31 176.54 1cee h GLU 91 N 0.53 -0.68 -0.68 1.11 5.08 -0.65 -2.80 114.58 116.49 1cee h GLU 91 Ca 0.61 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.94 1cee h GLU 91 Cb 1.29 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1cee h GLU 91 CO -0.38 -0.37 0.14 -0.91 -1.00 0.00 0.00 179.01 176.49 1cee h ASN 92 N -0.94 1.05 -0.94 1.42 2.35 -0.83 -1.35 115.58 116.35 1cee h ASN 92 Ca -0.07 -0.23 0.28 0.00 -0.55 0.00 0.00 56.30 55.72 1cee h ASN 92 Cb 0.62 -0.28 -0.15 0.00 0.05 0.00 0.00 38.32 38.56 1cee h ASN 92 CO 0.12 1.02 0.40 0.58 -1.65 0.00 0.00 177.43 177.89 1cee h VAL 93 N 1.04 0.31 0.00 2.81 2.07 0.21 1.54 116.25 124.23 1cee h VAL 93 Ca 0.21 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1cee h VAL 93 Cb 0.40 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1cee h VAL 93 CO 0.01 0.05 -1.04 2.29 0.02 0.00 0.00 177.57 178.89 1cee n LYS 94 N -5.14 0.60 -3.14 1.57 2.85 -1.05 -3.15 118.16 110.70 1cee n LYS 94 Ca 0.26 0.11 -0.17 0.00 -1.05 0.00 0.00 58.31 57.46 1cee n LYS 94 Cb 0.83 -1.81 -0.03 0.00 -0.65 0.00 0.00 35.03 33.37 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 -2.65 1.00 0.00 -1.58 1.02 0.15 -4.71 120.64 113.87 1cee n GLU 95 Ca -0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.76 1cee n GLU 95 Cb 0.55 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1cee n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1cee n LYS 96 N 0.25 0.00 0.07 3.49 3.00 0.48 -4.59 118.16 120.86 1cee n LYS 96 Ca 0.24 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1cee n LYS 96 Cb 0.67 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.62 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1cee h TRP 97 N 0.00 -0.22 0.37 5.64 4.06 -1.29 -2.99 115.95 121.52 1cee h TRP 97 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1cee h TRP 97 Cb 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1cee h TRP 97 CO 0.00 0.19 -0.18 0.28 -3.56 0.00 0.00 178.44 175.17 1cee h VAL 98 N -0.77 0.12 -0.94 1.49 2.07 -1.76 -3.28 116.25 113.18 1cee h VAL 98 Ca -0.02 -0.67 0.27 0.00 0.82 0.00 0.00 66.70 67.10 1cee h VAL 98 Cb 0.52 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1cee h VAL 98 CO 0.04 0.03 0.72 1.55 0.02 0.00 0.00 177.57 179.93 1cee h PRO 99 N -1.10 0.00 -0.32 1.57 0.13 -1.84 0.40 132.00 130.84 1cee h PRO 99 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1cee h PRO 99 Cb 0.43 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1cee h PRO 99 CO 0.08 0.00 0.04 0.93 -0.23 0.00 0.00 178.00 178.82 1cee h GLU 100 N 0.00 0.47 0.17 0.86 4.39 -1.58 -2.20 114.58 116.70 1cee h GLU 100 Ca 0.45 -0.08 -0.34 0.00 0.34 0.00 0.00 59.36 59.72 1cee h GLU 100 Cb 1.88 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 30.46 1cee h GLU 100 CO -0.00 0.48 -1.73 0.82 -1.16 0.00 0.00 179.01 177.41 1cee h ILE 101 N 0.46 0.92 -0.27 3.13 2.04 -0.33 -3.34 117.51 120.12 1cee h ILE 101 Ca 0.11 -2.48 0.06 0.00 1.00 0.00 0.00 64.86 63.54 1cee h ILE 101 Cb 0.25 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1cee h ILE 101 CO 0.00 0.84 0.19 0.71 0.00 0.00 0.00 178.15 179.89 1cee h THR 102 N 0.05 0.92 0.00 -0.27 1.35 -1.15 0.92 112.91 114.73 1cee h THR 102 Ca -0.35 -0.03 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 1cee h THR 102 Cb 2.05 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1cee h THR 102 CO 0.16 0.02 -0.10 0.45 -0.25 0.00 0.00 175.52 175.79 1cee h HIS 103 N 0.10 0.00 0.00 4.73 3.86 -1.52 -2.92 115.15 119.40 1cee h HIS 103 Ca 0.12 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.03 1cee h HIS 103 Cb 0.36 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1cee h HIS 103 CO -0.00 0.10 -2.08 1.58 0.86 0.00 0.00 177.93 178.39 1cee n HIS 104 N -3.63 0.00 -3.35 2.45 -0.00 0.16 -4.93 115.22 105.92 1cee n HIS 104 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.55 1cee n HIS 104 Cb 0.22 -0.71 -0.07 0.00 -0.00 0.00 0.00 29.99 29.43 1cee n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cee h PRO 106 N 7.08 0.00 0.00 0.00 0.13 -1.66 -3.30 132.00 134.25 1cee h PRO 106 Ca 0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1cee h PRO 106 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1cee h PRO 106 CO 0.19 0.74 -0.34 1.57 -0.23 0.00 0.00 178.00 179.94 1cee h LYS 107 N 0.00 0.00 -7.04 0.86 -0.00 -1.94 -3.45 116.57 104.99 1cee h LYS 107 Ca -0.06 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.06 1cee h LYS 107 Cb 1.69 0.00 0.11 0.00 -0.00 0.00 0.00 32.23 34.02 1cee h LYS 107 CO 0.10 0.34 0.53 0.95 -0.00 0.00 0.00 179.45 181.37 1cee s THR 108 N -3.69 2.56 0.87 0.07 -4.23 -1.24 -4.98 115.64 105.00 1cee s THR 108 Ca -0.00 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1cee s THR 108 Cb 0.11 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 70.88 1cee s THR 108 CO 0.68 -0.02 1.16 -2.16 -0.54 0.00 0.00 174.62 173.73 1cee s PRO 109 N -2.94 1.30 -0.31 3.99 0.04 -1.25 -4.96 135.00 130.86 1cee s PRO 109 Ca 0.70 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 1cee s PRO 109 Cb -0.34 -1.76 0.13 0.00 0.04 0.00 0.00 34.50 32.57 1cee s PRO 109 CO 0.40 -2.43 0.23 -0.06 0.04 0.00 0.00 177.00 175.18 1cee s PHE 110 N -2.55 0.05 -0.21 0.56 0.08 -1.26 -2.92 117.98 111.74 1cee s PHE 110 Ca 0.68 -0.79 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 1cee s PHE 110 Cb -0.24 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.51 1cee s PHE 110 CO 0.56 -0.88 1.44 -1.17 -0.10 0.00 0.00 175.22 175.07 1cee s LEU 111 N 1.89 4.02 -1.01 -0.37 2.96 0.16 -2.28 118.68 124.04 1cee s LEU 111 Ca 0.12 1.61 -0.23 0.00 -0.22 0.00 0.00 54.13 55.41 1cee s LEU 111 Cb -0.17 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1cee s LEU 111 CO -0.23 -1.04 1.48 -0.22 -1.32 0.00 0.00 176.35 175.02 1cee s LEU 112 N 4.38 3.48 -0.26 -0.68 2.96 -1.15 -1.42 118.68 125.99 1cee s LEU 112 Ca 0.63 -1.40 -0.23 0.00 -0.22 0.00 0.00 54.13 52.91 1cee s LEU 112 Cb -0.23 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1cee s LEU 112 CO 0.24 -1.58 0.78 -0.69 -1.32 0.00 0.00 176.35 173.78 1cee s VAL 113 N 5.28 4.86 -0.41 1.68 1.01 -0.44 -1.41 120.40 130.96 1cee s VAL 113 Ca 0.47 1.40 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 1cee s VAL 113 Cb -0.00 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1cee s VAL 113 CO -0.09 -0.09 0.30 -0.83 0.00 0.00 0.00 175.10 174.38 1cee s GLY 114 N 1.43 2.00 0.48 4.51 0.00 -0.30 -0.66 107.32 114.79 1cee s GLY 114 Ca 0.33 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.33 1cee s GLY 114 CO 0.09 0.93 0.66 -1.59 0.00 0.00 0.00 173.10 173.19 1cee s THR 115 N 1.65 2.73 -0.59 0.90 2.01 0.58 -2.43 115.64 120.48 1cee s THR 115 Ca 0.04 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1cee s THR 115 Cb -0.20 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1cee s THR 115 CO 0.09 0.00 0.51 0.00 -0.69 0.00 0.00 174.62 174.53 1cee n GLN 116 N -2.04 -3.44 0.09 4.92 6.02 -1.26 -1.50 117.38 120.17 1cee n GLN 116 Ca 0.10 0.37 -0.13 0.00 -0.01 0.00 0.00 57.00 57.33 1cee n GLN 116 Cb 0.60 -4.02 -0.09 0.00 1.02 0.00 0.00 30.24 27.75 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1cee h ILE 117 N -1.13 1.50 -0.25 5.09 2.04 -1.85 -3.23 117.51 119.68 1cee h ILE 117 Ca -0.26 -2.88 0.07 0.00 1.00 0.00 0.00 64.86 62.80 1cee h ILE 117 Cb 1.16 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 1cee h ILE 117 CO 0.24 0.84 0.44 -2.24 0.00 0.00 0.00 178.15 177.44 1cee h ASP 118 N 0.11 0.00 0.16 1.72 2.03 -1.95 0.03 116.42 118.52 1cee h ASP 118 Ca -0.10 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.85 1cee h ASP 118 Cb 1.78 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.25 1cee h ASP 118 CO 0.18 0.00 -2.05 0.18 -1.03 0.00 0.00 179.24 176.51 1cee n LEU 119 N -3.32 2.29 0.26 0.15 7.99 -1.22 -3.66 117.00 119.49 1cee n LEU 119 Ca 0.04 0.17 0.09 0.00 -0.01 0.00 0.00 56.01 56.30 1cee n LEU 119 Cb 0.56 -0.80 0.67 0.00 -0.11 0.00 0.00 43.42 43.75 1cee n LEU 119 CO 0.21 0.78 1.05 -0.09 -1.51 0.00 0.00 177.39 177.83 1cee h ARG 120 N 0.05 0.00 -0.65 3.23 2.43 -1.05 0.60 114.38 118.99 1cee h ARG 120 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1cee h ARG 120 Cb 2.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1cee h ARG 120 CO 0.05 0.03 0.00 -3.47 -1.51 0.00 0.00 179.97 175.07 1cee n ASP 121 N -4.36 4.99 -3.92 -3.80 2.03 -0.77 -4.77 116.55 105.95 1cee n ASP 121 Ca -0.03 -2.56 -0.30 0.00 0.52 0.00 0.00 54.79 52.42 1cee n ASP 121 Cb 0.11 -0.61 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1cee s ASP 122 N -0.86 4.37 0.50 1.67 2.15 0.20 -4.97 116.67 119.73 1cee s ASP 122 Ca 0.52 -2.41 0.35 0.00 0.43 0.00 0.00 52.55 51.43 1cee s ASP 122 Cb 0.35 -1.44 1.48 0.00 -0.30 0.00 0.00 42.92 43.00 1cee s ASP 122 CO 0.23 -0.32 1.72 -0.65 -0.17 0.00 0.00 175.17 175.97 1cee h PRO 123 N 7.22 0.09 -0.82 4.34 0.11 -1.86 0.34 132.00 141.42 1cee h PRO 123 Ca -0.06 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.22 1cee h PRO 123 Cb 0.97 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 1cee h PRO 123 CO 0.56 0.06 0.55 0.77 -0.21 0.00 0.00 178.00 179.73 1cee h SER 124 N 0.09 0.35 0.03 -2.05 0.02 -1.93 0.96 113.55 111.02 1cee h SER 124 Ca 0.70 0.03 -0.38 0.00 -0.84 0.00 0.00 61.79 61.30 1cee h SER 124 Cb 2.48 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 64.93 1cee h SER 124 CO -0.15 0.16 -2.19 0.35 -1.14 0.00 0.00 176.83 173.87 1cee n THR 125 N -4.47 1.58 -0.27 -2.27 -2.24 0.11 -2.95 114.28 103.77 1cee n THR 125 Ca 0.17 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1cee n THR 125 Cb 0.63 -1.71 0.16 0.00 -2.10 0.00 0.00 70.33 67.31 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 -0.40 0.85 0.00 2.28 2.04 -0.95 0.11 117.51 121.44 1cee h ILE 126 Ca -0.54 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 1cee h ILE 126 Cb 1.76 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1cee h ILE 126 CO -0.15 0.12 -0.45 -0.33 0.00 0.00 0.00 178.15 177.34 1cee h GLU 127 N 0.66 0.00 -0.33 2.37 5.08 0.75 -0.30 114.58 122.81 1cee h GLU 127 Ca 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1cee h GLU 127 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1cee h GLU 127 CO -0.27 0.45 0.12 -0.22 -1.00 0.00 0.00 179.01 178.09 1cee h LYS 128 N 0.00 0.50 0.00 2.33 3.64 -0.72 -3.13 116.57 119.19 1cee h LYS 128 Ca -0.00 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 1cee h LYS 128 Cb 1.21 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1cee h LYS 128 CO 0.06 0.51 -1.44 1.47 -2.27 0.00 0.00 179.45 177.78 1cee n LEU 129 N -4.70 0.84 -0.01 5.20 -0.00 -0.48 -3.73 117.00 114.13 1cee n LEU 129 Ca -0.02 0.37 0.22 0.00 -0.00 0.00 0.00 56.01 56.59 1cee n LEU 129 Cb 0.15 0.08 0.58 0.00 -0.00 0.00 0.00 43.42 44.23 1cee n LEU 129 CO 0.37 0.15 1.20 0.00 -0.00 0.00 0.00 177.39 179.11 1cee h ALA 130 N 1.42 2.43 0.00 1.47 0.00 -0.99 1.03 119.26 124.62 1cee h ALA 130 Ca -0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1cee h ALA 130 Cb 1.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1cee h ALA 130 CO 0.05 -1.14 -1.85 1.63 0.00 0.00 0.00 179.25 177.94 1cee n LYS 131 N -3.38 0.69 0.08 0.00 4.76 -1.23 -4.34 118.16 114.74 1cee n LYS 131 Ca 0.13 -0.13 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1cee n LYS 131 Cb 1.03 -1.41 0.31 0.00 -1.84 0.00 0.00 35.03 33.12 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 -2.20 0.72 -0.01 4.39 3.02 0.32 -4.93 115.26 116.57 1cee n ASN 132 Ca -0.08 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1cee n ASN 132 Cb 0.56 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1cee n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cee n LYS 133 N -2.14 0.00 -4.76 3.52 4.01 0.10 -5.06 118.16 113.83 1cee n LYS 133 Ca 0.05 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.60 1cee n LYS 133 Cb 0.43 -0.27 -0.15 0.00 -0.51 0.00 0.00 35.03 34.53 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1cee s GLN 134 N -1.09 1.42 0.02 1.97 -0.21 -0.83 -5.03 119.66 115.91 1cee s GLN 134 Ca 0.00 -0.77 -0.00 0.00 0.02 0.00 0.00 55.36 54.61 1cee s GLN 134 Cb 0.00 -1.43 -0.02 0.00 1.00 0.00 0.00 33.01 32.56 1cee s GLN 134 CO 0.00 0.38 -0.02 0.15 -2.12 0.00 0.00 175.29 173.68 1cee s LYS 135 N -0.75 0.34 0.84 2.91 3.01 -1.26 -3.21 119.74 121.63 1cee s LYS 135 Ca 0.07 -0.65 -0.12 0.00 -1.01 0.00 0.00 55.97 54.25 1cee s LYS 135 Cb -0.08 0.12 0.10 0.00 -1.01 0.00 0.00 37.83 36.96 1cee s LYS 135 CO 0.00 -0.06 1.15 -1.25 0.51 0.00 0.00 175.35 175.71 1cee s PRO 136 N -1.67 1.68 -0.14 -1.68 0.04 -1.26 -3.99 135.00 127.98 1cee s PRO 136 Ca -0.14 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.03 1cee s PRO 136 Cb -0.08 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1cee s PRO 136 CO -0.02 -1.81 0.23 0.42 0.04 0.00 0.00 177.00 175.86 1cee s ILE 137 N -3.41 5.35 0.57 0.56 -1.09 0.14 -4.96 121.20 118.36 1cee s ILE 137 Ca 0.62 0.42 -0.14 0.00 -2.23 0.00 0.00 60.65 59.31 1cee s ILE 137 Cb -0.13 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1cee s ILE 137 CO 0.51 0.48 1.02 0.42 -1.23 0.00 0.00 174.94 176.14 1cee s THR 138 N -0.09 4.41 0.35 2.92 -4.23 -1.26 -4.86 115.64 112.89 1cee s THR 138 Ca 0.15 1.02 0.10 0.00 -1.18 0.00 0.00 61.69 61.78 1cee s THR 138 Cb -0.13 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.37 1cee s THR 138 CO 0.04 -0.79 1.83 -0.65 -0.54 0.00 0.00 174.62 174.51 1cee h PRO 139 N 0.37 0.63 -0.10 3.99 0.11 -1.99 -0.53 132.00 134.48 1cee h PRO 139 Ca -0.46 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1cee h PRO 139 Cb 1.19 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.18 1cee h PRO 139 CO 0.60 0.41 -0.87 0.93 -0.21 0.00 0.00 178.00 178.87 1cee h GLU 140 N 0.64 0.76 -0.59 1.05 5.08 -1.99 -1.42 114.58 118.12 1cee h GLU 140 Ca 0.50 -0.68 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1cee h GLU 140 Cb 0.92 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1cee h GLU 140 CO -0.26 1.28 0.39 1.15 -1.00 0.00 0.00 179.01 180.57 1cee h THR 141 N 0.49 1.15 -0.29 1.13 2.02 -1.53 -1.60 112.91 114.29 1cee h THR 141 Ca -0.08 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.65 1cee h THR 141 Cb 1.51 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1cee h THR 141 CO 0.18 0.15 -0.52 0.00 0.37 0.00 0.00 175.52 175.69 1cee h ALA 142 N 1.22 0.53 0.05 6.16 0.00 -1.21 -3.24 119.26 122.76 1cee h ALA 142 Ca 0.22 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1cee h ALA 142 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1cee h ALA 142 CO -0.05 0.68 -0.47 1.49 0.00 0.00 0.00 179.25 180.90 1cee h GLU 143 N 0.64 -0.63 -0.95 0.00 4.81 -0.84 -0.97 114.58 116.65 1cee h GLU 143 Ca 0.02 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 1cee h GLU 143 Cb 1.11 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 30.46 1cee h GLU 143 CO 0.11 -0.42 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.47 1cee h LYS 144 N -0.65 -0.01 -0.58 1.92 3.64 -1.34 1.01 116.57 120.56 1cee h LYS 144 Ca 0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1cee h LYS 144 Cb 0.70 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1cee h LYS 144 CO -0.31 -0.01 0.33 -0.07 -2.27 0.00 0.00 179.45 177.13 1cee h LEU 145 N -0.01 0.52 -2.01 5.20 4.07 -1.41 1.33 115.31 123.00 1cee h LEU 145 Ca 0.41 0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.54 1cee h LEU 145 Cb 0.66 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1cee h LEU 145 CO -0.97 0.36 0.39 0.00 -1.08 0.00 0.00 178.44 177.14 1cee h ALA 146 N 1.28 2.45 0.00 1.53 0.00 0.23 0.22 119.26 124.97 1cee h ALA 146 Ca 0.24 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.83 1cee h ALA 146 Cb 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1cee h ALA 146 CO -0.13 -0.66 -2.10 0.54 0.00 0.00 0.00 179.25 176.90 1cee n ARG 147 N -4.28 0.67 0.11 0.00 1.74 -0.03 0.15 116.66 115.02 1cee n ARG 147 Ca 0.10 0.08 -0.03 0.00 -0.77 0.00 0.00 57.85 57.23 1cee n ARG 147 Cb 0.61 -1.62 0.18 0.00 -1.02 0.00 0.00 32.46 30.61 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1cee h ASP 148 N 0.00 0.17 -0.41 0.55 3.58 0.32 -3.02 116.42 117.60 1cee h ASP 148 Ca -0.41 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 1cee h ASP 148 Cb 2.04 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 43.04 1cee h ASP 148 CO 0.04 0.68 0.01 0.18 -2.88 0.00 0.00 179.24 177.27 1cee n LEU 149 N -3.91 4.78 -2.18 2.28 4.77 0.63 -4.93 117.00 118.44 1cee n LEU 149 Ca -0.02 -3.00 -0.19 0.00 -0.03 0.00 0.00 56.01 52.77 1cee n LEU 149 Cb 0.57 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1cee n LEU 149 CO 0.43 0.66 -0.23 0.29 -1.33 0.00 0.00 177.39 177.22 1cee n LYS 150 N -0.01 -1.71 -1.75 3.23 4.01 -1.14 -4.89 118.16 115.89 1cee n LYS 150 Ca 0.25 0.97 -0.42 0.00 -0.51 0.00 0.00 58.31 58.60 1cee n LYS 150 Cb 1.05 -5.54 -0.03 0.00 -0.51 0.00 0.00 35.03 30.00 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cee s ALA 151 N -2.85 3.89 0.44 7.82 0.00 0.41 -4.48 121.76 126.99 1cee s ALA 151 Ca 0.00 1.54 0.24 0.00 0.00 0.00 0.00 51.96 53.74 1cee s ALA 151 Cb 0.00 -3.70 1.24 0.00 0.00 0.00 0.00 23.12 20.66 1cee s ALA 151 CO 0.00 -0.96 1.78 -0.39 0.00 0.00 0.00 175.76 176.19 1cee h VAL 152 N 3.99 0.48 0.00 0.00 -1.51 -1.68 -3.42 116.25 114.10 1cee h VAL 152 Ca -0.43 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1cee h VAL 152 Cb 1.20 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1cee h VAL 152 CO 0.95 0.05 0.00 0.29 -1.23 0.00 0.00 177.57 177.63 1cee n LYS 153 N -4.51 0.00 -2.70 5.19 5.02 -1.26 -5.06 118.16 114.84 1cee n LYS 153 Ca 0.26 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.12 1cee n LYS 153 Cb 0.99 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.97 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 -1.18 3.42 0.39 2.13 5.04 -1.26 -2.93 117.35 122.96 1cee s TYR 154 Ca 0.00 1.50 0.04 0.00 -2.44 0.00 0.00 57.07 56.17 1cee s TYR 154 Cb 0.00 -3.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.07 1cee s TYR 154 CO 0.00 -0.35 0.14 0.14 -1.34 0.00 0.00 175.55 174.14 1cee s VAL 155 N 2.60 0.58 -0.15 3.14 -7.23 -0.50 -5.00 120.40 113.84 1cee s VAL 155 Ca 0.45 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 1cee s VAL 155 Cb -0.17 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1cee s VAL 155 CO 0.12 0.00 0.38 -0.70 -0.31 0.00 0.00 175.10 174.58 1cee s GLU 156 N -3.72 0.41 -0.10 4.82 2.12 -1.26 -1.15 118.70 119.83 1cee s GLU 156 Ca 0.27 0.59 -0.07 0.00 0.36 0.00 0.00 54.97 56.12 1cee s GLU 156 Cb 0.03 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.59 1cee s GLU 156 CO 0.16 -0.09 0.25 0.00 -0.54 0.00 0.00 175.26 175.04 1cee s SER 158 N 0.58 2.22 0.49 0.00 0.15 0.05 -4.32 113.70 112.86 1cee s SER 158 Ca -0.04 -0.45 0.32 0.00 0.70 0.00 0.00 55.95 56.48 1cee s SER 158 Cb -0.05 -0.46 1.31 0.00 -1.71 0.00 0.00 66.02 65.11 1cee s SER 158 CO -0.03 -0.27 1.94 0.00 1.20 0.00 0.00 173.24 176.08 1cee h ALA 159 N 8.31 1.00 0.14 5.45 0.00 -1.89 0.90 119.26 133.17 1cee h ALA 159 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 159 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cee h ALA 159 CO 0.29 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.72 1cee h LEU 160 N 0.00 -0.16 -1.35 0.00 5.85 -1.94 -3.31 115.31 114.40 1cee h LEU 160 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1cee h LEU 160 Cb 0.47 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1cee h LEU 160 CO 0.00 -0.01 0.00 0.41 -0.34 0.00 0.00 178.44 178.50 1cee n THR 161 N -5.12 0.05 -1.51 1.05 -1.04 -1.19 -4.98 114.28 101.54 1cee n THR 161 Ca -0.09 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.05 61.30 1cee n THR 161 Cb 0.14 1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 69.74 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 0.39 -0.75 -2.20 -2.82 6.02 0.31 -4.95 117.38 113.38 1cee n GLN 162 Ca 0.04 0.79 -0.43 0.00 -0.01 0.00 0.00 57.00 57.39 1cee n GLN 162 Cb 0.19 -4.76 -0.02 0.00 1.02 0.00 0.00 30.24 26.66 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 -3.26 3.49 -2.04 -1.09 2.47 -0.88 -2.84 119.74 115.60 1cee s LYS 163 Ca 0.00 1.16 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 1cee s LYS 163 Cb 0.00 -4.09 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 1cee s LYS 163 CO 0.00 -1.67 0.00 0.41 0.16 0.00 0.00 175.35 174.25 1cee n GLY 164 N 5.21 0.98 0.15 5.54 0.00 -1.26 -0.77 105.19 115.04 1cee n GLY 164 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.39 0.05 0.99 7.12 -1.70 -3.04 115.31 119.11 1cee h LEU 165 Ca -0.45 -0.03 -0.22 0.00 0.13 0.00 0.00 57.88 57.31 1cee h LEU 165 Cb 1.36 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 1cee h LEU 165 CO 0.61 0.30 -1.15 0.50 -0.13 0.00 0.00 178.44 178.57 1cee h LYS 166 N 0.43 0.10 -0.91 1.25 3.64 -1.86 -3.38 116.57 115.85 1cee h LYS 166 Ca 0.12 -0.17 0.25 0.00 -1.27 0.00 0.00 60.65 59.58 1cee h LYS 166 Cb -0.02 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 31.71 1cee h LYS 166 CO -0.02 1.08 0.20 -0.97 -2.27 0.00 0.00 179.45 177.46 1cee h ASN 167 N -0.69 -0.11 0.03 4.20 -0.73 -1.91 -0.77 115.58 115.60 1cee h ASN 167 Ca -0.28 0.22 0.03 0.00 1.87 0.00 0.00 56.30 58.14 1cee h ASN 167 Cb 1.46 0.32 -0.05 0.00 0.27 0.00 0.00 38.32 40.32 1cee h ASN 167 CO -0.06 -0.22 -0.35 0.58 -0.37 0.00 0.00 177.43 177.00 1cee h VAL 168 N 0.14 0.25 -0.78 2.57 2.07 -1.71 -1.87 116.25 116.93 1cee h VAL 168 Ca 0.58 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.20 1cee h VAL 168 Cb 1.20 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 1cee h VAL 168 CO -0.73 0.00 0.42 -0.26 0.02 0.00 0.00 177.57 177.02 1cee h PHE 169 N -0.53 0.74 -0.62 1.57 0.04 -1.34 0.83 116.94 117.64 1cee h PHE 169 Ca 0.05 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.99 1cee h PHE 169 Cb 0.60 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1cee h PHE 169 CO -0.36 0.26 0.43 -0.44 -0.60 0.00 0.00 178.31 177.61 1cee h ASP 170 N 0.68 0.21 0.09 2.17 5.19 -0.85 -0.55 116.42 123.36 1cee h ASP 170 Ca 0.39 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.55 1cee h ASP 170 Cb 0.43 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.92 1cee h ASP 170 CO -0.28 0.12 -1.04 -0.33 -3.12 0.00 0.00 179.24 174.59 1cee h GLU 171 N 0.23 0.64 0.10 3.56 3.07 -0.22 -3.02 114.58 118.94 1cee h GLU 171 Ca 0.30 -0.70 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1cee h GLU 171 Cb 0.86 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1cee h GLU 171 CO -0.06 1.29 -0.14 0.00 -1.40 0.00 0.00 179.01 178.70 1cee h ALA 172 N 0.47 -0.80 -0.51 3.43 0.00 -0.41 0.27 119.26 121.71 1cee h ALA 172 Ca -0.12 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1cee h ALA 172 Cb 1.69 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 1cee h ALA 172 CO 0.20 -0.82 -0.40 0.82 0.00 0.00 0.00 179.25 179.05 1cee h ILE 173 N -0.25 0.13 -0.87 0.00 5.03 -1.64 1.46 117.51 121.38 1cee h ILE 173 Ca -0.01 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.98 1cee h ILE 173 Cb 0.23 0.13 -0.03 0.00 -3.03 0.00 0.00 36.82 34.11 1cee h ILE 173 CO -0.04 0.00 0.69 0.25 -0.68 0.00 0.00 178.15 178.37 1cee h LEU 174 N -0.25 0.00 0.00 1.44 5.85 -1.38 0.50 115.31 121.48 1cee h LEU 174 Ca 0.18 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1cee h LEU 174 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1cee h LEU 174 CO -0.64 0.00 -0.47 0.00 -0.34 0.00 0.00 178.44 176.99 1cee h ALA 175 N 1.43 0.07 -0.86 1.25 0.00 0.52 -3.37 119.26 118.31 1cee h ALA 175 Ca 0.41 -0.57 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1cee h ALA 175 Cb 1.79 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.82 1cee h ALA 175 CO -0.00 0.32 0.46 0.00 0.00 0.00 0.00 179.25 180.02 1cee h ALA 176 N -0.63 1.28 -3.11 0.00 0.00 0.21 -3.42 119.26 113.60 1cee h ALA 176 Ca -0.09 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1cee h ALA 176 Cb 0.72 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 18.53 1cee h ALA 176 CO -0.06 -0.04 0.02 1.28 0.00 0.00 0.00 179.25 180.45 1cee n LEU 177 N -4.83 0.00 -3.57 0.00 4.77 0.17 -4.87 117.00 108.66 1cee n LEU 177 Ca 0.17 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1cee n LEU 177 Cb 0.41 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1cee n LEU 177 CO 0.22 -1.56 0.81 -1.83 -1.33 0.00 0.00 177.39 173.70 1cee s GLU 178 N -3.89 0.69 0.00 3.23 -1.05 -1.26 -4.96 118.70 111.46 1cee s GLU 178 Ca 0.26 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 1cee s GLU 178 Cb -0.03 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1cee s GLU 178 CO 0.20 -0.31 0.08 -0.35 0.95 0.00 0.00 175.26 175.83