#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 0.43 -0.05 3.17 -1.52 -1.26 -5.12 119.66 115.31 1cee s GLN 2 Ca 0.00 -0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 52.72 1cee s GLN 2 Cb 0.00 0.16 0.02 0.00 -0.22 0.00 0.00 33.01 32.97 1cee s GLN 2 CO 0.00 -0.09 0.12 0.99 -0.25 0.00 0.00 175.29 176.07 1cee s THR 3 N -1.92 -0.03 -0.10 -0.19 2.01 -1.26 -2.54 115.64 111.62 1cee s THR 3 Ca -0.11 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1cee s THR 3 Cb -0.06 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1cee s THR 3 CO -0.02 0.04 0.02 -0.63 -0.69 0.00 0.00 174.62 173.33 1cee s ILE 4 N 0.61 4.43 -0.90 1.82 1.01 -1.02 -4.96 121.20 122.18 1cee s ILE 4 Ca -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1cee s ILE 4 Cb -0.06 -2.89 0.22 0.00 0.01 0.00 0.00 42.46 39.75 1cee s ILE 4 CO -0.03 0.59 0.81 -1.59 0.00 0.00 0.00 174.94 174.71 1cee s LYS 5 N -0.69 3.38 0.28 2.79 0.00 -1.26 0.91 119.74 125.16 1cee s LYS 5 Ca 0.11 -3.17 -0.04 0.00 0.00 0.00 0.00 55.97 52.86 1cee s LYS 5 Cb -0.12 -4.06 -0.05 0.00 0.00 0.00 0.00 37.83 33.61 1cee s LYS 5 CO 0.02 -1.25 0.54 0.00 0.00 0.00 0.00 175.35 174.66 1cee s VAL 7 N -2.07 -0.01 -0.15 0.00 0.11 -1.22 -3.08 120.40 113.98 1cee s VAL 7 Ca 0.43 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 59.29 1cee s VAL 7 Cb -0.11 -0.03 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 1cee s VAL 7 CO 0.30 0.02 0.73 -0.69 -3.33 0.00 0.00 175.10 172.13 1cee s VAL 8 N 0.22 4.97 -0.15 2.04 1.01 -0.69 -1.16 120.40 126.64 1cee s VAL 8 Ca -0.02 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1cee s VAL 8 Cb -0.03 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1cee s VAL 8 CO -0.01 0.11 -0.11 0.68 0.00 0.00 0.00 175.10 175.77 1cee s VAL 9 N 1.75 1.40 -0.21 2.92 -7.23 0.16 -3.90 120.40 115.29 1cee s VAL 9 Ca 0.35 -0.59 -0.33 0.00 -1.81 0.00 0.00 61.98 59.60 1cee s VAL 9 Cb -0.17 -1.38 0.15 0.00 0.56 0.00 0.00 36.38 35.55 1cee s VAL 9 CO 0.13 0.37 1.22 -0.83 -0.31 0.00 0.00 175.10 175.68 1cee s GLY 10 N 1.55 -0.19 0.35 2.32 0.00 -1.26 -1.75 107.32 108.34 1cee s GLY 10 Ca 0.04 1.97 -0.26 0.00 0.00 0.00 0.00 44.72 46.47 1cee s GLY 10 CO -0.09 0.75 0.87 2.09 0.00 0.00 0.00 173.10 176.71 1cee n ASP 11 N 0.18 0.62 -4.60 1.64 5.68 -1.26 -4.81 116.55 113.99 1cee n ASP 11 Ca -0.01 1.07 -0.46 0.00 -0.50 0.00 0.00 54.79 54.89 1cee n ASP 11 Cb 0.58 -1.25 -0.03 0.00 -1.14 0.00 0.00 41.12 39.29 1cee n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cee n GLY 12 N 1.39 0.09 2.38 6.12 0.00 -1.26 -3.30 105.19 110.62 1cee n GLY 12 Ca 0.10 0.44 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 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 1.08 -1.62 -0.05 4.61 0.00 -1.26 -5.00 120.51 118.27 1cee n ALA 13 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1cee n ALA 13 Cb 0.29 -2.76 -0.06 0.00 0.00 0.00 0.00 19.45 16.92 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 -2.20 0.60 0.00 0.00 0.24 -1.21 -5.04 118.33 110.72 1cee n VAL 14 Ca -0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1cee n VAL 14 Cb 0.55 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 2.70 0.63 0.07 7.63 0.00 -1.26 -4.88 105.19 110.07 1cee n GLY 15 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.11 -0.99 1.61 1.57 -1.96 -3.12 116.57 113.57 1cee h LYS 16 Ca 0.00 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.06 1cee h LYS 16 Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1cee h LYS 16 CO 0.00 -0.08 0.69 1.15 -0.57 0.00 0.00 179.45 180.64 1cee h THR 17 N -0.54 0.54 0.00 -0.16 2.02 -1.98 0.58 112.91 113.36 1cee h THR 17 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1cee h THR 17 Cb 0.09 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1cee h THR 17 CO 0.02 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1cee h LEU 19 N 0.00 0.00 -1.38 0.00 8.10 -1.42 -2.84 115.31 117.77 1cee h LEU 19 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.00 1cee h LEU 19 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1cee h LEU 19 CO 0.00 0.00 0.42 -0.07 -4.11 0.00 0.00 178.44 174.68 1cee h LEU 20 N 0.00 0.72 0.13 0.17 3.38 0.10 1.22 115.31 121.03 1cee h LEU 20 Ca 0.00 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 1cee h LEU 20 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1cee h LEU 20 CO 0.00 0.52 -1.61 0.40 0.09 0.00 0.00 178.44 177.84 1cee h ILE 21 N 0.85 1.07 0.00 1.22 1.08 -1.48 -3.09 117.51 117.15 1cee h ILE 21 Ca 0.24 -2.71 -0.05 0.00 -0.39 0.00 0.00 64.86 61.95 1cee h ILE 21 Cb -0.08 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1cee h ILE 21 CO -0.05 0.81 -0.22 0.28 -0.69 0.00 0.00 178.15 178.28 1cee h SER 22 N 0.07 0.00 1.23 1.72 0.02 -1.19 1.28 113.55 116.69 1cee h SER 22 Ca -0.28 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 1cee h SER 22 Cb 2.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.56 1cee h SER 22 CO 0.16 0.22 -0.80 0.22 -1.14 0.00 0.00 176.83 175.49 1cee h TYR 23 N 0.00 0.00 0.00 3.45 3.20 0.14 -1.32 116.97 122.44 1cee h TYR 23 Ca -0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.58 1cee h TYR 23 Cb 0.79 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1cee h TYR 23 CO 0.00 0.55 -2.07 0.25 -1.64 0.00 0.00 178.16 175.25 1cee n THR 24 N -3.13 1.07 0.00 1.81 -2.24 -1.08 -4.75 114.28 105.96 1cee n THR 24 Ca -0.01 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1cee n THR 24 Cb 0.78 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.68 0.00 -1.78 4.28 -2.24 0.42 -5.02 114.28 107.27 1cee n THR 25 Ca -0.27 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1cee n THR 25 Cb 0.97 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.33 -3.32 -4.13 3.42 5.15 -0.26 -4.92 115.26 109.88 1cee n ASN 26 Ca 0.00 0.08 -0.34 0.00 -0.60 0.00 0.00 54.58 53.72 1cee n ASN 26 Cb 0.04 -2.18 -0.14 0.00 -0.53 0.00 0.00 39.78 36.97 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1cee s LYS 27 N -3.70 2.33 -0.27 1.20 2.36 -1.24 -4.86 119.74 115.56 1cee s LYS 27 Ca 0.00 -1.31 -0.29 0.00 -2.55 0.00 0.00 55.97 51.82 1cee s LYS 27 Cb 0.00 -3.06 -0.02 0.00 -1.05 0.00 0.00 37.83 33.70 1cee s LYS 27 CO 0.00 -0.61 1.75 0.12 1.55 0.00 0.00 175.35 178.17 1cee s PHE 28 N 1.18 1.87 1.00 4.03 2.19 -1.26 -4.05 117.98 122.94 1cee s PHE 28 Ca -0.07 0.55 -0.14 0.00 0.33 0.00 0.00 56.93 57.60 1cee s PHE 28 Cb -0.20 -4.08 0.19 0.00 -1.31 0.00 0.00 43.02 37.62 1cee s PHE 28 CO -0.03 -3.10 1.14 -1.25 1.83 0.00 0.00 175.22 173.82 1cee s PRO 29 N 5.27 0.43 0.04 10.12 0.04 -1.26 -5.04 135.00 144.60 1cee s PRO 29 Ca 0.78 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1cee s PRO 29 Cb -0.25 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1cee s PRO 29 CO 0.32 -2.65 0.00 -1.13 0.04 0.00 0.00 177.00 173.58 1cee n SER 30 N -4.06 0.19 -4.82 6.66 3.41 -1.26 -5.03 113.62 108.72 1cee n SER 30 Ca 0.09 0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.42 1cee n SER 30 Cb 0.59 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1cee n SER 30 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cee s GLU 31 N -2.00 4.17 -0.25 4.33 8.01 -1.26 -5.07 118.70 126.63 1cee s GLU 31 Ca 0.00 1.16 -0.09 0.00 0.01 0.00 0.00 54.97 56.06 1cee s GLU 31 Cb 0.00 -2.18 0.11 0.00 -4.31 0.00 0.00 34.13 27.75 1cee s GLU 31 CO 0.00 -0.09 0.53 1.52 0.01 0.00 0.00 175.26 177.24 1cee s TYR 32 N -2.13 -1.05 0.13 1.61 -0.85 -1.26 -5.04 117.35 108.76 1cee s TYR 32 Ca 0.63 1.91 0.00 0.00 -0.52 0.00 0.00 57.07 59.08 1cee s TYR 32 Cb -0.10 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1cee s TYR 32 CO 0.14 -0.56 0.00 1.33 -1.52 0.00 0.00 175.55 174.94 1cee n VAL 33 N 5.33 0.00 -1.20 -3.49 0.24 -1.26 -5.02 118.33 112.93 1cee n VAL 33 Ca -0.11 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.82 1cee n VAL 33 Cb 0.50 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.66 2.34 0.00 7.34 -0.04 -1.26 -4.39 135.00 136.33 1cee n PRO 34 Ca 0.00 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1cee n PRO 34 Cb 0.00 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 4.91 0.00 0.00 0.52 -1.04 -1.26 -4.98 114.28 112.43 1cee n THR 35 Ca 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1cee n THR 35 Cb 0.30 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 -1.10 0.00 -3.25 12.58 0.31 -1.26 -4.18 118.33 121.42 1cee n VAL 36 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1cee n VAL 36 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.00 -1.23 -0.11 3.52 2.19 -1.26 -3.32 117.98 117.77 1cee s PHE 37 Ca 0.00 1.10 0.02 0.00 0.33 0.00 0.00 56.93 58.38 1cee s PHE 37 Cb 0.00 0.22 0.01 0.00 -1.31 0.00 0.00 43.02 41.94 1cee s PHE 37 CO 0.00 -0.85 -0.16 -0.51 1.83 0.00 0.00 175.22 175.52 1cee s ASP 38 N 2.68 2.50 -0.28 6.13 1.01 -1.25 -4.98 116.67 122.49 1cee s ASP 38 Ca 0.15 -0.44 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 1cee s ASP 38 Cb -0.14 -1.13 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 1cee s ASP 38 CO -0.21 0.04 0.12 0.21 0.21 0.00 0.00 175.17 175.54 1cee s ASN 39 N 0.88 5.44 0.35 0.27 3.04 -1.26 -2.47 114.94 121.19 1cee s ASN 39 Ca -0.09 -0.27 0.08 0.00 0.04 0.00 0.00 52.86 52.62 1cee s ASN 39 Cb -0.15 -1.99 -0.04 0.00 -1.54 0.00 0.00 41.25 37.52 1cee s ASN 39 CO -0.00 -0.09 0.13 -0.31 -3.04 0.00 0.00 177.10 173.79 1cee s TYR 40 N 1.64 2.68 -0.08 0.43 1.51 0.68 -4.97 117.35 119.24 1cee s TYR 40 Ca 0.06 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1cee s TYR 40 Cb -0.16 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1cee s TYR 40 CO 0.06 0.34 -0.01 0.00 -1.11 0.00 0.00 175.55 174.82 1cee s ALA 41 N -2.46 0.84 -0.04 3.71 0.00 -1.26 -0.66 121.76 121.89 1cee s ALA 41 Ca 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1cee s ALA 41 Cb -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1cee s ALA 41 CO 0.22 -0.46 0.06 0.08 0.00 0.00 0.00 175.76 175.66 1cee s VAL 42 N 1.91 4.62 -0.32 0.00 1.01 -0.14 -4.95 120.40 122.53 1cee s VAL 42 Ca 0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1cee s VAL 42 Cb -0.12 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1cee s VAL 42 CO -0.06 0.45 0.10 -0.89 0.00 0.00 0.00 175.10 174.70 1cee s THR 43 N -1.08 3.84 0.25 3.92 2.01 -1.26 0.64 115.64 123.97 1cee s THR 43 Ca 0.19 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.32 1cee s THR 43 Cb -0.12 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1cee s THR 43 CO 0.09 -0.08 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.06 1cee s VAL 44 N 1.44 2.23 -0.91 3.82 1.01 -1.18 -4.90 120.40 121.90 1cee s VAL 44 Ca -0.00 -2.32 -0.16 0.00 0.00 0.00 0.00 61.98 59.50 1cee s VAL 44 Cb -0.19 -2.20 0.18 0.00 0.00 0.00 0.00 36.38 34.17 1cee s VAL 44 CO 0.03 -0.45 1.00 -0.04 0.00 0.00 0.00 175.10 175.64 1cee s MET 45 N -3.49 3.66 -0.12 2.72 -1.94 -1.26 0.17 119.30 119.04 1cee s MET 45 Ca 0.27 -2.17 -0.04 0.00 -1.71 0.00 0.00 55.69 52.03 1cee s MET 45 Cb -0.04 -4.71 -0.04 0.00 2.01 0.00 0.00 34.83 32.06 1cee s MET 45 CO 0.12 -1.55 0.04 0.42 -0.01 0.00 0.00 175.02 174.04 1cee s ILE 46 N 1.38 4.59 -1.48 2.53 1.01 0.48 -4.44 121.20 125.29 1cee s ILE 46 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 1cee s ILE 46 Cb -0.07 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1cee s ILE 46 CO -0.09 0.56 0.07 0.61 0.00 0.00 0.00 174.94 176.09 1cee n GLY 47 N 2.59 -0.35 2.33 6.18 0.00 -1.26 -1.75 105.19 112.93 1cee n GLY 47 Ca -0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.07 0.91 3.12 -0.02 0.00 -1.26 -5.00 105.19 101.88 1cee n GLY 48 Ca -0.19 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.35 0.61 0.05 1.61 2.02 -0.72 -5.13 118.70 114.79 1cee s GLU 49 Ca 0.00 -0.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.90 1cee s GLU 49 Cb 0.00 0.24 -0.07 0.00 0.10 0.00 0.00 34.13 34.40 1cee s GLU 49 CO 0.00 -0.15 1.46 -1.25 0.02 0.00 0.00 175.26 175.33 1cee s PRO 50 N -2.74 4.27 0.11 0.39 0.04 -1.26 -0.38 135.00 135.42 1cee s PRO 50 Ca -0.04 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1cee s PRO 50 Cb -0.00 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1cee s PRO 50 CO -0.05 -0.58 0.04 0.66 0.04 0.00 0.00 177.00 177.12 1cee n TYR 51 N 5.03 -0.59 -3.33 0.56 4.02 0.45 -3.74 117.16 119.56 1cee n TYR 51 Ca 0.13 -0.48 -0.13 0.00 -0.01 0.00 0.00 57.90 57.42 1cee n TYR 51 Cb 0.42 -0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.92 -0.49 0.21 -0.72 2.01 -1.05 -3.12 115.64 111.56 1cee s THR 52 Ca 0.03 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1cee s THR 52 Cb -0.00 -0.63 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1cee s THR 52 CO 0.02 -0.44 1.07 -0.22 -0.69 0.00 0.00 174.62 174.36 1cee s LEU 53 N 1.70 4.53 -0.14 4.42 2.96 0.21 -2.45 118.68 129.92 1cee s LEU 53 Ca 0.15 2.11 -0.14 0.00 -0.22 0.00 0.00 54.13 56.03 1cee s LEU 53 Cb -0.13 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1cee s LEU 53 CO -0.09 -0.14 0.33 -0.83 -1.32 0.00 0.00 176.35 174.30 1cee s GLY 54 N -0.48 2.27 -0.26 7.98 0.00 0.26 -0.97 107.32 116.12 1cee s GLY 54 Ca 0.47 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.80 1cee s GLY 54 CO 0.36 0.44 -0.08 1.08 0.00 0.00 0.00 173.10 174.90 1cee s LEU 55 N 0.30 3.31 -0.25 0.66 2.01 0.16 -2.90 118.68 121.97 1cee s LEU 55 Ca 0.19 -1.09 0.02 0.00 0.01 0.00 0.00 54.13 53.25 1cee s LEU 55 Cb -0.14 -1.62 0.05 0.00 0.01 0.00 0.00 46.19 44.49 1cee s LEU 55 CO 0.06 -0.16 -0.11 -0.36 1.01 0.00 0.00 176.35 176.79 1cee s PHE 56 N 1.24 3.18 -0.21 0.29 0.40 -1.18 -0.23 117.98 121.47 1cee s PHE 56 Ca -0.03 -2.10 -0.20 0.00 -0.60 0.00 0.00 56.93 53.99 1cee s PHE 56 Cb -0.18 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 1cee s PHE 56 CO -0.05 -0.85 0.60 0.34 0.70 0.00 0.00 175.22 175.97 1cee s ASP 57 N 1.17 6.63 0.15 1.36 -1.08 -1.03 -1.70 116.67 122.16 1cee s ASP 57 Ca -0.06 0.76 0.03 0.00 -0.52 0.00 0.00 52.55 52.76 1cee s ASP 57 Cb -0.19 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.91 1cee s ASP 57 CO -0.06 -0.27 0.28 0.42 0.52 0.00 0.00 175.17 176.06 1cee s THR 58 N 1.99 5.27 0.43 1.71 -4.23 -1.25 -3.74 115.64 115.82 1cee s THR 58 Ca 0.27 -0.71 0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1cee s THR 58 Cb -0.16 -3.72 0.07 0.00 1.34 0.00 0.00 72.50 70.03 1cee s THR 58 CO 0.10 -0.09 0.57 0.00 -0.54 0.00 0.00 174.62 174.65 1cee n ALA 59 N -0.54 0.89 -0.97 3.99 0.00 -1.21 -4.96 120.51 117.72 1cee n ALA 59 Ca -0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 53.44 51.77 1cee n ALA 59 Cb 0.54 0.46 0.01 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.28 -2.73 2.52 0.00 0.00 -1.26 -4.85 105.19 98.59 1cee n GLY 60 Ca 0.11 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1cee n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLN 61 N -1.57 0.95 0.00 1.61 10.64 -1.26 -4.49 117.38 123.26 1cee n GLN 61 Ca 0.01 -2.27 0.00 0.00 -1.83 0.00 0.00 57.00 52.90 1cee n GLN 61 Cb 0.02 0.23 0.00 0.00 -0.86 0.00 0.00 30.24 29.64 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1cee n GLU 62 N -1.37 0.00 0.48 2.61 2.13 -1.26 -4.24 120.64 118.99 1cee n GLU 62 Ca -0.01 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.62 1cee n GLU 62 Cb 0.41 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.04 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 -1.03 -0.70 4.31 5.19 -2.00 -2.96 116.42 119.23 1cee h ASP 63 Ca 0.00 0.04 -0.33 0.00 -0.62 0.00 0.00 57.03 56.12 1cee h ASP 63 Cb 0.00 0.27 -0.20 0.00 0.18 0.00 0.00 39.33 39.58 1cee h ASP 63 CO 0.00 -0.74 0.42 -1.22 -3.12 0.00 0.00 179.24 174.58 1cee n TYR 64 N -5.29 2.19 0.16 4.55 4.02 -1.26 -4.50 117.16 117.03 1cee n TYR 64 Ca -0.15 -1.36 0.16 0.00 -0.01 0.00 0.00 57.90 56.54 1cee n TYR 64 Cb 0.48 -0.72 0.75 0.00 -0.02 0.00 0.00 39.34 39.83 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 1.10 0.00 0.05 7.72 1.82 -1.80 0.68 116.42 125.98 1cee h ASP 65 Ca 0.40 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.88 1cee h ASP 65 Cb 2.28 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.28 1cee h ASP 65 CO 0.76 0.00 -0.85 0.03 -1.61 0.00 0.00 179.24 177.57 1cee h ARG 66 N 0.00 0.10 -0.63 0.28 -0.00 -1.83 -3.36 114.38 108.93 1cee h ARG 66 Ca 0.12 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1cee h ARG 66 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.57 1cee h ARG 66 CO -0.00 1.08 0.00 1.47 0.00 0.00 0.00 179.97 182.52 1cee n LEU 67 N -4.32 3.50 -0.02 3.04 -0.00 -0.98 -4.24 117.00 113.98 1cee n LEU 67 Ca -0.21 -1.77 -0.18 0.00 -0.00 0.00 0.00 56.01 53.85 1cee n LEU 67 Cb 0.69 -0.50 -0.14 0.00 -0.00 0.00 0.00 43.42 43.47 1cee n LEU 67 CO 0.33 0.55 -0.00 -0.09 -0.00 0.00 0.00 177.39 178.18 1cee h ARG 68 N 2.68 0.15 -0.19 1.47 2.43 0.22 -3.32 114.38 117.82 1cee h ARG 68 Ca 0.00 -0.25 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1cee h ARG 68 Cb 1.14 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1cee h ARG 68 CO 0.20 1.12 0.22 -1.35 -1.51 0.00 0.00 179.97 178.65 1cee h PRO 69 N -0.65 0.00 0.00 0.20 0.11 -1.79 0.17 132.00 130.03 1cee h PRO 69 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1cee h PRO 69 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1cee h PRO 69 CO 0.03 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.75 1cee h LEU 70 N 0.00 0.00 -1.93 2.35 3.38 -1.82 -2.75 115.31 114.54 1cee h LEU 70 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1cee h LEU 70 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1cee h LEU 70 CO -0.00 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.29 1cee n SER 71 N -2.36 2.81 -2.51 -0.43 2.88 0.05 -4.16 113.62 109.90 1cee n SER 71 Ca 0.01 -2.32 -0.18 0.00 -1.33 0.00 0.00 58.87 55.05 1cee n SER 71 Cb 0.21 -0.50 0.02 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.33 2.37 -1.49 0.66 4.02 -1.04 -4.92 117.16 117.09 1cee n TYR 72 Ca 0.12 -2.78 -0.16 0.00 -0.01 0.00 0.00 57.90 55.08 1cee n TYR 72 Cb 0.58 -0.23 -0.13 0.00 -0.02 0.00 0.00 39.34 39.54 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1cee n PRO 73 N -0.39 0.26 -4.15 -0.72 -0.02 -1.26 -2.38 135.00 126.34 1cee n PRO 73 Ca 0.27 -0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 60.89 1cee n PRO 73 Cb 0.77 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 7.13 -2.94 -1.41 -0.52 -0.06 -1.26 -4.81 117.38 113.51 1cee n GLN 74 Ca 0.51 0.35 -0.42 0.00 -2.00 0.00 0.00 57.00 55.44 1cee n GLN 74 Cb 0.33 -4.75 0.01 0.00 -4.06 0.00 0.00 30.24 21.76 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cee n THR 75 N -4.40 1.51 -0.00 1.69 -1.04 -1.00 -4.91 114.28 106.13 1cee n THR 75 Ca -0.10 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1cee n THR 75 Cb 0.58 -0.41 -0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.51 0.01 -4.90 8.00 8.00 0.99 -4.97 116.55 125.20 1cee n ASP 76 Ca 0.11 0.21 -0.24 0.00 0.71 0.00 0.00 54.79 55.58 1cee n ASP 76 Cb 0.40 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.01 1.98 -0.04 2.53 0.11 -1.25 -3.12 120.40 119.59 1cee s VAL 77 Ca -0.00 -1.42 -0.02 0.00 -2.93 0.00 0.00 61.98 57.61 1cee s VAL 77 Cb 0.00 -2.40 0.03 0.00 -1.53 0.00 0.00 36.38 32.48 1cee s VAL 77 CO 0.00 0.00 0.07 -0.36 -3.33 0.00 0.00 175.10 171.48 1cee s PHE 78 N -2.68 0.03 -0.68 1.54 0.40 -1.08 -3.40 117.98 112.11 1cee s PHE 78 Ca 0.41 0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 56.77 1cee s PHE 78 Cb -0.02 -0.42 0.06 0.00 0.51 0.00 0.00 43.02 43.14 1cee s PHE 78 CO 0.25 -0.18 1.05 -0.51 0.70 0.00 0.00 175.22 176.52 1cee s LEU 79 N 2.02 4.03 -0.57 -0.37 1.02 -0.31 -0.05 118.68 124.45 1cee s LEU 79 Ca 0.03 -0.81 -0.19 0.00 0.02 0.00 0.00 54.13 53.17 1cee s LEU 79 Cb -0.12 -2.48 0.09 0.00 0.02 0.00 0.00 46.19 43.70 1cee s LEU 79 CO -0.03 -1.54 0.70 -0.69 0.02 0.00 0.00 176.35 174.80 1cee s VAL 80 N 4.53 4.80 -0.41 -1.59 1.01 0.11 0.41 120.40 129.25 1cee s VAL 80 Ca 0.26 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1cee s VAL 80 Cb -0.14 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.81 1cee s VAL 80 CO 0.12 -1.06 0.61 0.00 0.00 0.00 0.00 175.10 174.77 1cee s PHE 82 N 2.68 2.21 -0.14 0.00 -0.71 -0.14 -4.30 117.98 117.59 1cee s PHE 82 Ca 0.21 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.42 1cee s PHE 82 Cb -0.15 -1.21 -0.03 0.00 -1.21 0.00 0.00 43.02 40.43 1cee s PHE 82 CO 0.17 0.30 1.40 -1.12 -1.34 0.00 0.00 175.22 174.62 1cee s SER 83 N -1.96 6.82 0.25 1.98 0.01 -1.26 -1.26 113.70 118.29 1cee s SER 83 Ca 0.12 1.83 0.08 0.00 1.31 0.00 0.00 55.95 59.29 1cee s SER 83 Cb -0.10 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.87 1cee s SER 83 CO 0.05 -0.85 1.57 0.58 0.41 0.00 0.00 173.24 175.00 1cee h VAL 84 N 5.57 1.44 -0.68 3.43 2.07 -1.78 -2.97 116.25 123.33 1cee h VAL 84 Ca -0.30 -2.17 -0.31 0.00 0.82 0.00 0.00 66.70 64.74 1cee h VAL 84 Cb 1.13 2.15 -0.19 0.00 -1.52 0.00 0.00 31.29 32.86 1cee h VAL 84 CO 0.97 0.63 0.40 1.33 0.02 0.00 0.00 177.57 180.91 1cee n VAL 85 N -3.80 2.51 -3.40 2.57 0.24 -1.26 0.03 118.33 115.23 1cee n VAL 85 Ca -0.02 -1.34 -0.13 0.00 -2.04 0.00 0.00 64.34 60.82 1cee n VAL 85 Cb 0.64 -0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.66 0.80 0.36 -1.34 0.15 -1.12 -4.46 113.70 107.42 1cee s SER 86 Ca 0.41 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 57.22 1cee s SER 86 Cb 0.34 0.81 1.29 0.00 -1.71 0.00 0.00 66.02 66.76 1cee s SER 86 CO 0.09 -0.32 1.78 1.55 1.20 0.00 0.00 173.24 177.53 1cee h PRO 87 N 8.23 0.00 0.60 5.44 0.13 -1.82 -3.02 132.00 141.56 1cee h PRO 87 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1cee h PRO 87 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1cee h PRO 87 CO 0.28 0.00 -0.29 1.03 -0.23 0.00 0.00 178.00 178.79 1cee h SER 88 N 0.00 -0.69 -0.48 1.44 0.87 -1.95 -1.87 113.55 110.88 1cee h SER 88 Ca 0.00 -0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1cee h SER 88 Cb 0.11 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 1cee h SER 88 CO 0.00 -0.35 -0.11 0.28 -0.53 0.00 0.00 176.83 176.11 1cee h SER 89 N -1.04 -0.43 -0.92 6.23 0.02 -1.80 0.24 113.55 115.84 1cee h SER 89 Ca -0.08 0.14 0.20 0.00 -0.84 0.00 0.00 61.79 61.21 1cee h SER 89 Cb 0.67 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 63.44 1cee h SER 89 CO 0.14 -0.15 0.60 0.15 -1.14 0.00 0.00 176.83 176.42 1cee h PHE 90 N 0.01 0.65 0.21 3.45 3.04 -1.60 1.42 116.94 124.12 1cee h PHE 90 Ca 0.23 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1cee h PHE 90 Cb 0.35 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1cee h PHE 90 CO -0.41 0.17 -0.10 1.49 -2.02 0.00 0.00 178.31 177.44 1cee h GLU 91 N 0.49 -0.27 0.00 1.11 4.81 0.34 -2.61 114.58 118.44 1cee h GLU 91 Ca 0.49 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.64 1cee h GLU 91 Cb 1.10 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1cee h GLU 91 CO -0.21 -0.09 -0.45 -0.91 -0.73 0.00 0.00 179.01 176.62 1cee h ASN 92 N -0.40 0.00 -0.82 1.04 -0.26 -0.69 -1.63 115.58 112.82 1cee h ASN 92 Ca -0.03 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.82 1cee h ASN 92 Cb 0.31 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.49 1cee h ASN 92 CO 0.05 0.45 0.45 0.58 -1.06 0.00 0.00 177.43 177.89 1cee h VAL 93 N 0.00 0.86 0.00 2.81 2.07 0.21 1.61 116.25 123.81 1cee h VAL 93 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1cee h VAL 93 Cb 1.05 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1cee h VAL 93 CO 0.06 0.13 -0.98 2.29 0.02 0.00 0.00 177.57 179.09 1cee n LYS 94 N -4.79 0.08 -2.17 1.57 2.85 -1.01 -3.16 118.16 111.54 1cee n LYS 94 Ca 0.14 -0.01 -0.02 0.00 -1.05 0.00 0.00 58.31 57.37 1cee n LYS 94 Cb 0.32 -1.51 0.05 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.61 1.47 0.09 -1.58 1.02 -0.62 -4.66 120.64 114.75 1cee n GLU 95 Ca 0.03 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1cee n GLU 95 Cb 0.36 -1.23 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 1.17 1.18 0.00 0.00 177.13 179.48 1cee n LYS 96 N -0.33 0.00 -0.13 3.49 0.00 0.51 -4.74 118.16 116.95 1cee n LYS 96 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.31 1cee n LYS 96 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.93 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 1.05 0.07 5.64 4.06 -0.55 -2.81 115.95 123.41 1cee h TRP 97 Ca 0.00 -0.28 -0.28 0.00 2.06 0.00 0.00 58.89 60.38 1cee h TRP 97 Cb 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 27.91 1cee h TRP 97 CO 0.00 1.09 -1.50 0.28 -3.56 0.00 0.00 178.44 174.74 1cee h VAL 98 N 0.71 0.88 -0.09 1.49 2.07 -1.73 -3.36 116.25 116.21 1cee h VAL 98 Ca 0.08 -2.30 0.02 0.00 0.82 0.00 0.00 66.70 65.33 1cee h VAL 98 Cb 0.86 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1cee h VAL 98 CO 0.07 0.61 0.07 -0.65 0.02 0.00 0.00 177.57 177.70 1cee h PRO 99 N -0.47 0.00 -0.02 1.57 0.11 -1.83 0.64 132.00 132.00 1cee h PRO 99 Ca -0.35 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.64 1cee h PRO 99 Cb 1.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.75 1cee h PRO 99 CO -0.04 0.00 -0.53 1.05 -0.21 0.00 0.00 178.00 178.27 1cee h GLU 100 N 0.00 0.06 0.01 1.05 4.11 -1.66 -3.02 114.58 115.13 1cee h GLU 100 Ca 0.04 -0.04 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 1cee h GLU 100 Cb 0.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1cee h GLU 100 CO -0.00 0.58 -2.13 0.44 0.07 0.00 0.00 179.01 177.97 1cee n ILE 101 N -3.91 1.50 0.27 -1.06 -5.35 -0.70 -3.70 119.36 106.40 1cee n ILE 101 Ca -0.02 -0.80 0.12 0.00 -0.27 0.00 0.00 62.75 61.78 1cee n ILE 101 Cb 0.55 -0.81 0.76 0.00 -1.74 0.00 0.00 39.64 38.39 1cee n ILE 101 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1cee h THR 102 N 0.00 0.67 0.07 7.28 1.35 -0.95 1.28 112.91 122.62 1cee h THR 102 Ca -0.45 -0.31 -0.28 0.00 -0.55 0.00 0.00 66.41 64.82 1cee h THR 102 Cb 2.13 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 1cee h THR 102 CO 0.04 0.08 -1.47 0.45 -0.25 0.00 0.00 175.52 174.37 1cee h HIS 103 N 0.00 0.25 0.14 4.73 3.86 -1.69 -2.44 115.15 120.01 1cee h HIS 103 Ca -0.00 -0.18 -0.30 0.00 -1.16 0.00 0.00 60.37 58.73 1cee h HIS 103 Cb 0.18 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1cee h HIS 103 CO 0.00 1.22 -1.41 0.45 0.86 0.00 0.00 177.93 179.05 1cee h HIS 104 N 0.04 0.55 -1.43 2.45 -0.00 -1.45 -3.43 115.15 111.88 1cee h HIS 104 Ca -0.21 -0.40 -0.19 0.00 -0.00 0.00 0.00 60.37 59.57 1cee h HIS 104 Cb 1.96 -0.02 -0.24 0.00 -0.00 0.00 0.00 27.41 29.10 1cee h HIS 104 CO 0.04 1.37 -0.55 0.00 -0.00 0.00 0.00 177.93 178.79 1cee n PRO 106 N 4.41 0.96 -0.05 0.00 -0.04 -0.92 -3.28 135.00 136.08 1cee n PRO 106 Ca 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1cee n PRO 106 Cb 0.52 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.60 2.10 -1.92 0.54 0.00 -1.26 -4.99 118.16 112.03 1cee n LYS 107 Ca 0.05 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 1cee n LYS 107 Cb 0.02 -1.28 -0.03 0.00 -0.00 0.00 0.00 35.03 33.74 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 -2.29 2.54 0.77 0.58 -4.23 -1.20 -4.97 115.64 106.83 1cee s THR 108 Ca -0.05 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1cee s THR 108 Cb 0.03 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1cee s THR 108 CO 0.46 0.04 0.93 -0.81 -0.54 0.00 0.00 174.62 174.70 1cee n PRO 109 N 3.44 0.29 -3.69 3.99 -0.04 -1.18 -4.93 135.00 132.88 1cee n PRO 109 Ca 0.12 0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 63.46 1cee n PRO 109 Cb 0.39 -2.20 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.99 0.88 -0.14 0.54 0.08 -1.26 -2.64 117.98 113.46 1cee s PHE 110 Ca 0.71 -0.86 -0.28 0.00 0.12 0.00 0.00 56.93 56.62 1cee s PHE 110 Cb -0.32 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1cee s PHE 110 CO 0.53 -0.64 0.96 -1.17 -0.10 0.00 0.00 175.22 174.79 1cee s LEU 111 N 1.91 4.21 -1.09 -0.37 2.96 0.93 -1.56 118.68 125.66 1cee s LEU 111 Ca 0.02 1.40 -0.15 0.00 -0.22 0.00 0.00 54.13 55.18 1cee s LEU 111 Cb -0.17 -3.45 0.18 0.00 0.50 0.00 0.00 46.19 43.25 1cee s LEU 111 CO -0.13 -0.46 1.25 -0.22 -1.32 0.00 0.00 176.35 175.47 1cee s LEU 112 N 2.19 5.37 -0.11 -0.68 0.20 -0.68 -0.71 118.68 124.26 1cee s LEU 112 Ca 0.45 -2.79 -0.24 0.00 0.69 0.00 0.00 54.13 52.24 1cee s LEU 112 Cb -0.17 -2.36 -0.03 0.00 -0.43 0.00 0.00 46.19 43.20 1cee s LEU 112 CO 0.15 -0.76 0.73 -0.69 -0.29 0.00 0.00 176.35 175.49 1cee s VAL 113 N 1.37 5.00 -0.32 1.68 1.01 0.15 0.11 120.40 129.40 1cee s VAL 113 Ca 0.36 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 1cee s VAL 113 Cb -0.05 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1cee s VAL 113 CO -0.04 0.18 0.13 -0.83 0.00 0.00 0.00 175.10 174.54 1cee s GLY 114 N 0.94 1.85 0.58 4.51 0.00 0.27 -0.97 107.32 114.50 1cee s GLY 114 Ca 0.37 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1cee s GLY 114 CO 0.16 0.70 0.80 -1.59 0.00 0.00 0.00 173.10 173.18 1cee s THR 115 N 1.56 2.55 -0.74 0.90 2.01 -0.39 -2.08 115.64 119.46 1cee s THR 115 Ca 0.03 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1cee s THR 115 Cb -0.17 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1cee s THR 115 CO 0.05 0.00 0.65 0.00 -0.69 0.00 0.00 174.62 174.63 1cee n GLN 116 N -2.39 -1.57 0.07 4.92 6.02 -1.26 -2.79 117.38 120.37 1cee n GLN 116 Ca 0.10 0.65 -0.19 0.00 -0.01 0.00 0.00 57.00 57.55 1cee n GLN 116 Cb 0.60 -4.60 -0.14 0.00 1.02 0.00 0.00 30.24 27.12 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 -0.72 1.11 -0.93 5.09 2.04 -1.85 -3.31 117.51 118.95 1cee h ILE 117 Ca -0.41 -2.72 0.26 0.00 1.00 0.00 0.00 64.86 62.98 1cee h ILE 117 Cb 1.21 2.78 -0.14 0.00 -0.74 0.00 0.00 36.82 39.94 1cee h ILE 117 CO 0.31 0.83 0.40 -2.24 0.00 0.00 0.00 178.15 177.44 1cee h ASP 118 N 0.08 0.28 -0.20 1.72 2.03 -1.96 0.17 116.42 118.55 1cee h ASP 118 Ca -0.27 0.18 -0.16 0.00 -0.73 0.00 0.00 57.03 56.05 1cee h ASP 118 Cb 2.05 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 40.73 1cee h ASP 118 CO 0.18 -0.09 -0.50 -0.07 -1.03 0.00 0.00 179.24 177.73 1cee h LEU 119 N 0.32 0.78 -2.09 0.15 3.38 -1.95 -2.99 115.31 112.91 1cee h LEU 119 Ca 0.61 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1cee h LEU 119 Cb 1.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1cee h LEU 119 CO -0.59 1.21 0.32 -0.09 0.09 0.00 0.00 178.44 179.37 1cee h ARG 120 N 0.38 0.00 -0.60 1.13 1.12 -0.79 0.62 114.38 116.25 1cee h ARG 120 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1cee h ARG 120 Cb 1.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 1cee h ARG 120 CO 0.11 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.72 1cee n ASP 121 N -3.89 5.20 -4.04 -3.80 8.00 -0.66 -4.72 116.55 112.64 1cee n ASP 121 Ca 0.05 -2.70 -0.33 0.00 0.71 0.00 0.00 54.79 52.52 1cee n ASP 121 Cb 0.48 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1cee s ASP 122 N -0.90 5.65 0.27 -2.24 1.01 0.22 -4.95 116.67 115.72 1cee s ASP 122 Ca 0.52 -3.79 -0.07 0.00 0.71 0.00 0.00 52.55 49.93 1cee s ASP 122 Cb 0.37 -1.82 0.49 0.00 1.01 0.00 0.00 42.92 42.97 1cee s ASP 122 CO 0.20 -0.14 1.59 -0.65 0.21 0.00 0.00 175.17 176.37 1cee h PRO 123 N 5.78 0.02 -1.07 8.23 0.11 -1.84 0.65 132.00 143.87 1cee h PRO 123 Ca 0.16 -0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.56 1cee h PRO 123 Cb 0.79 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.81 1cee h PRO 123 CO 0.82 0.01 0.71 0.77 -0.21 0.00 0.00 178.00 180.10 1cee h SER 124 N 0.02 0.32 0.04 -2.05 0.02 -1.94 0.54 113.55 110.51 1cee h SER 124 Ca 0.47 0.06 -0.28 0.00 -0.84 0.00 0.00 61.79 61.20 1cee h SER 124 Cb 0.80 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1cee h SER 124 CO -0.89 0.05 -1.52 0.71 -1.14 0.00 0.00 176.83 174.05 1cee h THR 125 N 0.28 0.81 -0.50 -2.27 1.35 -0.23 -3.07 112.91 109.29 1cee h THR 125 Ca 0.59 -2.24 0.10 0.00 -0.55 0.00 0.00 66.41 64.31 1cee h THR 125 Cb 1.71 2.31 -0.08 0.00 -1.73 0.00 0.00 68.15 70.36 1cee h THR 125 CO -0.23 0.51 -0.02 0.40 -0.25 0.00 0.00 175.52 175.94 1cee h ILE 126 N -0.63 0.60 0.00 6.82 2.04 0.55 0.11 117.51 126.99 1cee h ILE 126 Ca -0.38 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1cee h ILE 126 Cb 1.56 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1cee h ILE 126 CO -0.11 0.02 -0.23 -0.33 0.00 0.00 0.00 178.15 177.50 1cee h GLU 127 N 0.10 0.00 -0.16 2.37 5.08 -0.14 0.28 114.58 122.11 1cee h GLU 127 Ca 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1cee h GLU 127 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1cee h GLU 127 CO -0.43 0.23 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.45 1cee h LYS 128 N 0.00 0.39 0.00 2.33 3.64 -0.75 -3.31 116.57 118.87 1cee h LYS 128 Ca -0.00 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1cee h LYS 128 Cb 0.86 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1cee h LYS 128 CO 0.03 0.75 -1.63 1.47 -2.27 0.00 0.00 179.45 177.79 1cee n LEU 129 N -4.54 0.40 -0.26 5.20 -0.00 -0.42 -4.24 117.00 113.14 1cee n LEU 129 Ca -0.06 0.16 0.32 0.00 -0.00 0.00 0.00 56.01 56.44 1cee n LEU 129 Cb 0.36 0.04 0.63 0.00 -0.00 0.00 0.00 43.42 44.45 1cee n LEU 129 CO 0.39 0.01 1.30 0.00 -0.00 0.00 0.00 177.39 179.10 1cee h ALA 130 N 1.81 2.99 0.00 1.47 0.00 -0.25 0.28 119.26 125.56 1cee h ALA 130 Ca -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cee h ALA 130 Cb 1.22 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1cee h ALA 130 CO 0.01 -1.61 -0.37 1.63 0.00 0.00 0.00 179.25 178.90 1cee n LYS 131 N -3.62 0.79 -0.02 0.00 5.02 -1.26 -4.75 118.16 114.32 1cee n LYS 131 Ca 0.24 -2.17 -0.02 0.00 -2.02 0.00 0.00 58.31 54.34 1cee n LYS 131 Cb 1.39 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 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 -0.70 3.89 0.00 4.39 3.02 0.97 -5.01 115.26 121.81 1cee n ASN 132 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1cee n ASN 132 Cb 0.73 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 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 -2.20 0.00 -3.98 3.52 2.85 -1.06 -5.10 118.16 112.18 1cee n LYS 133 Ca -0.07 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.94 1cee n LYS 133 Cb 0.64 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.99 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 3.34 -0.25 -1.58 -0.21 -1.10 -4.95 119.66 114.91 1cee s GLN 134 Ca 0.00 -0.71 -0.23 0.00 0.02 0.00 0.00 55.36 54.44 1cee s GLN 134 Cb 0.00 -2.88 0.07 0.00 1.00 0.00 0.00 33.01 31.20 1cee s GLN 134 CO 0.00 0.48 0.67 -1.59 -2.12 0.00 0.00 175.29 172.73 1cee s LYS 135 N -3.48 0.79 0.41 2.91 0.00 -1.26 -2.76 119.74 116.34 1cee s LYS 135 Ca 0.34 0.92 -0.24 0.00 0.00 0.00 0.00 55.97 57.00 1cee s LYS 135 Cb -0.10 0.38 -0.09 0.00 0.00 0.00 0.00 37.83 38.02 1cee s LYS 135 CO 0.28 -0.10 1.05 -1.25 0.00 0.00 0.00 175.35 175.33 1cee s PRO 136 N 0.34 4.13 -0.21 1.78 0.04 -1.26 -3.95 135.00 135.86 1cee s PRO 136 Ca -0.00 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1cee s PRO 136 Cb -0.05 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1cee s PRO 136 CO 0.01 -0.17 0.68 0.42 0.04 0.00 0.00 177.00 177.99 1cee s ILE 137 N -1.70 4.97 0.80 0.56 -1.09 0.10 -4.98 121.20 119.87 1cee s ILE 137 Ca 0.59 1.28 -0.11 0.00 -2.23 0.00 0.00 60.65 60.18 1cee s ILE 137 Cb -0.21 -3.99 0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1cee s ILE 137 CO 0.27 0.06 1.09 0.42 -1.23 0.00 0.00 174.94 175.54 1cee s THR 138 N 2.21 3.21 0.37 2.92 -4.23 -1.26 -4.83 115.64 114.03 1cee s THR 138 Ca 0.30 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1cee s THR 138 Cb -0.16 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1cee s THR 138 CO 0.10 -0.51 1.99 -0.65 -0.54 0.00 0.00 174.62 175.00 1cee h PRO 139 N -1.18 0.74 0.06 3.99 0.11 -1.99 -1.50 132.00 132.22 1cee h PRO 139 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cee h PRO 139 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1cee h PRO 139 CO 0.54 0.49 -0.03 0.93 -0.21 0.00 0.00 178.00 179.72 1cee h GLU 140 N 0.76 -0.07 -0.52 1.05 5.08 -1.97 0.15 114.58 119.06 1cee h GLU 140 Ca 0.27 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1cee h GLU 140 Cb 0.12 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1cee h GLU 140 CO -0.08 0.40 0.17 1.15 -1.00 0.00 0.00 179.01 179.65 1cee h THR 141 N -0.58 0.79 0.40 1.13 2.02 -1.87 0.60 112.91 115.41 1cee h THR 141 Ca -0.01 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1cee h THR 141 Cb 0.51 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1cee h THR 141 CO 0.01 0.06 -0.19 0.00 0.37 0.00 0.00 175.52 175.77 1cee h ALA 142 N 1.36 -0.54 -0.99 6.16 0.00 -1.32 -3.02 119.26 120.91 1cee h ALA 142 Ca 0.25 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1cee h ALA 142 Cb 0.30 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1cee h ALA 142 CO -0.27 -0.60 0.66 1.49 0.00 0.00 0.00 179.25 180.52 1cee h GLU 143 N -0.95 0.34 -0.11 0.00 4.81 -0.49 0.12 114.58 118.30 1cee h GLU 143 Ca -0.06 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1cee h GLU 143 Cb 0.55 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1cee h GLU 143 CO 0.09 0.22 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.16 1cee h LYS 144 N 0.35 -0.28 -0.45 1.92 3.64 0.33 0.31 116.57 122.39 1cee h LYS 144 Ca 0.54 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.95 1cee h LYS 144 Cb 1.45 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1cee h LYS 144 CO -0.21 -0.19 0.28 -0.07 -2.27 0.00 0.00 179.45 177.00 1cee h LEU 145 N -0.29 0.48 -2.29 5.20 3.38 -0.72 1.28 115.31 122.35 1cee h LEU 145 Ca 0.09 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1cee h LEU 145 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1cee h LEU 145 CO -0.27 0.34 0.19 0.00 0.09 0.00 0.00 178.44 178.79 1cee h ALA 146 N 1.18 1.67 0.03 1.53 0.00 -0.04 1.19 119.26 124.82 1cee h ALA 146 Ca 0.17 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.69 1cee h ALA 146 Cb -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1cee h ALA 146 CO -0.05 -0.27 -2.34 0.54 0.00 0.00 0.00 179.25 177.13 1cee n ARG 147 N -3.64 0.68 -0.07 0.00 1.74 0.99 -0.63 116.66 115.73 1cee n ARG 147 Ca 0.01 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1cee n ARG 147 Cb 0.30 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.87 -0.27 0.55 5.19 0.24 -2.93 116.42 120.08 1cee h ASP 148 Ca -0.53 -0.41 0.00 0.00 -0.62 0.00 0.00 57.03 55.46 1cee h ASP 148 Cb 1.97 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1cee h ASP 148 CO -0.03 1.18 0.00 0.18 -3.12 0.00 0.00 179.24 177.45 1cee n LEU 149 N -4.03 2.03 -1.32 1.55 7.99 0.40 -4.86 117.00 118.76 1cee n LEU 149 Ca -0.03 -1.02 -0.17 0.00 -0.01 0.00 0.00 56.01 54.78 1cee n LEU 149 Cb 0.56 -0.33 -0.07 0.00 -0.11 0.00 0.00 43.42 43.47 1cee n LEU 149 CO 0.48 0.40 -0.16 0.29 -1.51 0.00 0.00 177.39 176.88 1cee n LYS 150 N 0.32 -1.52 -1.78 3.23 5.02 -1.11 -4.91 118.16 117.41 1cee n LYS 150 Ca 0.10 1.11 -0.41 0.00 -2.02 0.00 0.00 58.31 57.09 1cee n LYS 150 Cb 0.38 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee s ALA 151 N -2.48 3.56 0.40 7.82 0.00 0.20 -4.65 121.76 126.61 1cee s ALA 151 Ca 0.00 1.59 0.12 0.00 0.00 0.00 0.00 51.96 53.68 1cee s ALA 151 Cb 0.00 -3.62 0.94 0.00 0.00 0.00 0.00 23.12 20.44 1cee s ALA 151 CO 0.00 -1.10 1.90 -0.39 0.00 0.00 0.00 175.76 176.18 1cee h VAL 152 N 2.93 0.83 0.00 0.00 -1.51 -1.50 -3.42 116.25 113.58 1cee h VAL 152 Ca -0.51 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1cee h VAL 152 Cb 1.24 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1cee h VAL 152 CO 0.64 0.10 0.00 0.29 -1.23 0.00 0.00 177.57 177.37 1cee n LYS 153 N -4.51 0.00 -3.52 5.19 4.76 -1.26 -5.06 118.16 113.76 1cee n LYS 153 Ca 0.15 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 1cee n LYS 153 Cb 0.48 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.60 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cee s TYR 154 N -2.00 3.42 0.29 2.13 5.04 -1.26 -1.69 117.35 123.28 1cee s TYR 154 Ca 0.00 0.54 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1cee s TYR 154 Cb 0.00 -2.37 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 1cee s TYR 154 CO 0.00 0.15 0.10 0.14 -1.34 0.00 0.00 175.55 174.60 1cee s VAL 155 N 0.77 0.66 -0.19 3.14 -7.23 0.12 -4.97 120.40 112.69 1cee s VAL 155 Ca 0.16 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1cee s VAL 155 Cb -0.13 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.25 1cee s VAL 155 CO 0.05 0.00 0.42 -0.70 -0.31 0.00 0.00 175.10 174.56 1cee s GLU 156 N -3.96 0.34 -0.00 4.82 2.12 -1.26 0.93 118.70 121.69 1cee s GLU 156 Ca 0.36 0.99 0.01 0.00 0.36 0.00 0.00 54.97 56.69 1cee s GLU 156 Cb 0.07 0.26 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 1cee s GLU 156 CO 0.15 -0.23 -0.04 0.00 -0.54 0.00 0.00 175.26 174.60 1cee s SER 158 N -0.08 2.22 0.60 0.00 0.15 -1.19 -4.30 113.70 111.10 1cee s SER 158 Ca 0.01 -0.46 0.39 0.00 0.70 0.00 0.00 55.95 56.59 1cee s SER 158 Cb -0.01 -0.46 1.93 0.00 -1.71 0.00 0.00 66.02 65.77 1cee s SER 158 CO -0.00 -0.27 2.17 0.00 1.20 0.00 0.00 173.24 176.34 1cee h ALA 159 N 8.31 1.00 -0.11 5.45 0.00 -1.91 1.26 119.26 133.27 1cee h ALA 159 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1cee h ALA 159 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cee h ALA 159 CO 0.29 0.00 -0.00 1.25 0.00 0.00 0.00 179.25 180.79 1cee h LEU 160 N 0.00 0.19 0.00 0.00 5.85 -1.94 -3.32 115.31 116.09 1cee h LEU 160 Ca 0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1cee h LEU 160 Cb 0.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1cee h LEU 160 CO 0.00 0.46 -1.35 0.41 -0.34 0.00 0.00 178.44 177.62 1cee n THR 161 N -4.80 0.00 -1.54 1.05 -1.04 -1.05 -4.99 114.28 101.91 1cee n THR 161 Ca -0.06 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.05 61.63 1cee n THR 161 Cb 0.21 0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 69.18 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 -1.79 -0.35 -2.01 -2.82 6.02 0.43 -4.96 117.38 111.90 1cee n GLN 162 Ca -0.01 0.48 -0.42 0.00 -0.01 0.00 0.00 57.00 57.04 1cee n GLN 162 Cb 0.35 -4.21 -0.03 0.00 1.02 0.00 0.00 30.24 27.38 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 -3.17 3.23 -1.57 -1.09 2.47 -1.15 -2.78 119.74 115.69 1cee s LYS 163 Ca 0.00 1.30 0.00 0.00 -1.56 0.00 0.00 55.97 55.71 1cee s LYS 163 Cb 0.00 -4.22 0.00 0.00 -1.46 0.00 0.00 37.83 32.15 1cee s LYS 163 CO 0.00 -1.99 0.00 0.41 0.16 0.00 0.00 175.35 173.93 1cee n GLY 164 N 5.46 0.73 0.40 5.54 0.00 -1.26 -3.19 105.19 112.86 1cee n GLY 164 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.64 0.21 0.99 7.12 -1.79 0.73 115.31 120.93 1cee h LEU 165 Ca -0.35 0.27 -0.32 0.00 0.13 0.00 0.00 57.88 57.61 1cee h LEU 165 Cb 1.13 0.75 0.02 0.00 -0.53 0.00 0.00 40.66 42.04 1cee h LEU 165 CO 0.47 -0.31 -1.51 0.07 -0.13 0.00 0.00 178.44 177.02 1cee h LYS 166 N -0.16 0.44 -0.94 1.25 2.10 -1.87 -3.34 116.57 114.04 1cee h LYS 166 Ca 0.20 -0.74 0.26 0.00 -2.00 0.00 0.00 60.65 58.36 1cee h LYS 166 Cb 0.54 0.28 -0.14 0.00 -0.90 0.00 0.00 32.23 32.01 1cee h LYS 166 CO -0.78 1.36 0.43 -0.91 -2.00 0.00 0.00 179.45 177.55 1cee h ASN 167 N 0.03 0.34 0.56 7.07 2.35 -1.82 0.36 115.58 124.46 1cee h ASN 167 Ca -0.28 0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1cee h ASN 167 Cb 2.05 0.16 0.01 0.00 0.05 0.00 0.00 38.32 40.59 1cee h ASN 167 CO 0.21 -0.08 -0.27 0.58 -1.65 0.00 0.00 177.43 176.22 1cee h VAL 168 N 0.34 0.45 -0.96 2.81 2.07 -0.99 -2.38 116.25 117.60 1cee h VAL 168 Ca 0.63 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 68.18 1cee h VAL 168 Cb 1.30 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1cee h VAL 168 CO -0.58 0.01 0.61 -0.26 0.02 0.00 0.00 177.57 177.37 1cee h PHE 169 N -0.77 1.13 -0.89 1.57 0.04 -1.10 0.01 116.94 116.93 1cee h PHE 169 Ca -0.08 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.92 1cee h PHE 169 Cb 0.58 -0.37 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 1cee h PHE 169 CO -0.03 0.56 0.59 -0.44 -0.60 0.00 0.00 178.31 178.39 1cee h ASP 170 N 1.09 0.42 0.44 2.17 3.32 -0.07 0.52 116.42 124.32 1cee h ASP 170 Ca 0.43 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.40 1cee h ASP 170 Cb 0.22 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1cee h ASP 170 CO -0.19 0.17 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.66 1cee h GLU 171 N 0.42 0.09 0.61 3.56 4.39 -0.49 -2.62 114.58 120.54 1cee h GLU 171 Ca 0.46 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 1cee h GLU 171 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1cee h GLU 171 CO -0.18 0.59 -0.31 0.00 -1.16 0.00 0.00 179.01 177.95 1cee h ALA 172 N 1.40 -1.21 -0.35 3.43 0.00 0.27 0.88 119.26 123.67 1cee h ALA 172 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1cee h ALA 172 Cb 0.94 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1cee h ALA 172 CO 0.07 -1.15 -0.45 0.82 0.00 0.00 0.00 179.25 178.54 1cee h ILE 173 N -0.83 0.10 -0.90 0.00 2.04 -1.55 1.51 117.51 117.87 1cee h ILE 173 Ca -0.08 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.04 1cee h ILE 173 Cb 0.64 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1cee h ILE 173 CO 0.13 0.00 0.79 0.25 0.00 0.00 0.00 178.15 179.32 1cee h LEU 174 N -0.37 0.00 0.09 1.44 5.85 -1.41 0.17 115.31 121.07 1cee h LEU 174 Ca 0.12 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.48 1cee h LEU 174 Cb 0.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1cee h LEU 174 CO -0.55 0.00 -2.01 0.00 -0.34 0.00 0.00 178.44 175.54 1cee n ALA 175 N -2.52 1.06 0.00 1.25 0.00 0.31 -4.41 120.51 116.21 1cee n ALA 175 Ca 0.19 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1cee n ALA 175 Cb 1.10 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1cee n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cee h ALA 176 N 0.25 0.06 -3.00 0.00 0.00 0.46 -3.41 119.26 113.62 1cee h ALA 176 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1cee h ALA 176 Cb 2.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1cee h ALA 176 CO 0.07 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1cee n LEU 177 N -5.15 0.00 0.00 0.00 4.32 -0.82 -4.72 117.00 110.63 1cee n LEU 177 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1cee n LEU 177 Cb 0.08 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1cee n LEU 177 CO 0.28 0.00 0.00 -1.84 -1.22 0.00 0.00 177.39 174.61 1cee n GLU 178 N 0.00 0.00 0.00 3.23 0.28 -1.26 -5.01 120.64 117.88 1cee n GLU 178 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1cee n GLU 178 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1cee n GLU 178 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62