#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 4.62 -0.02 0.03 1.11 -1.26 -5.04 119.66 119.11 1cee s GLN 2 Ca 0.00 1.55 -0.04 0.00 0.01 0.00 0.00 55.36 56.89 1cee s GLN 2 Cb 0.00 -3.02 0.00 0.00 -1.01 0.00 0.00 33.01 28.98 1cee s GLN 2 CO 0.00 0.27 0.08 0.99 0.01 0.00 0.00 175.29 176.64 1cee s THR 3 N -1.35 0.04 -0.26 -0.19 2.01 -1.26 -3.03 115.64 111.60 1cee s THR 3 Ca 0.47 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 1cee s THR 3 Cb -0.25 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1cee s THR 3 CO 0.32 -0.18 0.14 -0.63 -0.69 0.00 0.00 174.62 173.58 1cee s ILE 4 N -0.55 4.97 -1.21 1.82 1.09 -0.92 -4.87 121.20 121.54 1cee s ILE 4 Ca -0.06 0.05 -0.13 0.00 -1.10 0.00 0.00 60.65 59.41 1cee s ILE 4 Cb -0.04 -3.34 0.18 0.00 -1.06 0.00 0.00 42.46 38.20 1cee s ILE 4 CO 0.00 0.31 1.42 -0.75 -0.10 0.00 0.00 174.94 175.82 1cee s LYS 5 N 1.49 4.11 0.02 2.79 2.47 -1.26 0.12 119.74 129.48 1cee s LYS 5 Ca 0.07 -2.64 -0.16 0.00 -1.56 0.00 0.00 55.97 51.68 1cee s LYS 5 Cb -0.15 -5.03 -0.06 0.00 -1.46 0.00 0.00 37.83 31.13 1cee s LYS 5 CO 0.07 -1.73 0.46 0.00 0.16 0.00 0.00 175.35 174.31 1cee s VAL 7 N -1.06 0.87 -0.39 0.00 1.01 -1.16 -2.50 120.40 117.16 1cee s VAL 7 Ca 0.26 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 1cee s VAL 7 Cb -0.18 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1cee s VAL 7 CO 0.15 0.28 0.85 -0.69 0.00 0.00 0.00 175.10 175.69 1cee s VAL 8 N 0.40 4.64 -0.06 2.92 1.01 -0.28 -0.19 120.40 128.84 1cee s VAL 8 Ca -0.07 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1cee s VAL 8 Cb -0.11 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1cee s VAL 8 CO 0.01 -0.56 -0.03 0.68 0.00 0.00 0.00 175.10 175.20 1cee s VAL 9 N 3.34 3.98 0.00 2.92 -7.23 0.13 -3.54 120.40 119.99 1cee s VAL 9 Ca 0.34 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1cee s VAL 9 Cb -0.12 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1cee s VAL 9 CO 0.20 0.56 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 1cee n GLY 10 N 2.03 2.48 3.44 2.32 0.00 -1.26 -3.19 105.19 111.01 1cee n GLY 10 Ca -0.18 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 6.20 0.00 1.61 2.15 -1.26 -4.38 116.67 120.99 1cee s ASP 11 Ca 0.00 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.05 1cee s ASP 11 Cb 0.00 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1cee s ASP 11 CO 0.00 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 1cee n GLY 12 N 5.16 0.55 3.27 2.66 0.00 -1.23 -5.03 105.19 110.56 1cee n GLY 12 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee s ALA 13 N -1.32 -2.75 -0.08 4.61 0.00 -1.26 -4.64 121.76 116.33 1cee s ALA 13 Ca 0.00 1.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 1cee s ALA 13 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1cee s ALA 13 CO 0.00 -1.24 -0.08 1.33 0.00 0.00 0.00 175.76 175.77 1cee n VAL 14 N 5.33 0.43 0.00 0.00 0.24 -1.26 -4.99 118.33 118.08 1cee n VAL 14 Ca -0.06 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1cee n VAL 14 Cb 0.52 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 2.80 1.29 0.25 7.63 0.00 -1.26 -4.61 105.19 111.30 1cee n GLY 15 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.86 -0.63 1.61 5.09 -1.97 -2.94 116.57 118.59 1cee h LYS 16 Ca 0.00 -0.50 0.10 0.00 0.09 0.00 0.00 60.65 60.34 1cee h LYS 16 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 32.23 32.33 1cee h LYS 16 CO 0.00 1.14 0.42 1.15 -2.09 0.00 0.00 179.45 180.07 1cee h THR 17 N 0.68 0.89 0.00 0.07 2.02 -1.98 0.35 112.91 114.93 1cee h THR 17 Ca 0.03 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1cee h THR 17 Cb 1.07 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1cee h THR 17 CO 0.11 0.08 -0.23 0.00 0.37 0.00 0.00 175.52 175.85 1cee h LEU 19 N 0.00 0.58 -0.84 0.00 6.46 -0.38 -3.08 115.31 118.05 1cee h LEU 19 Ca -0.00 -0.93 0.14 0.00 -0.12 0.00 0.00 57.88 56.97 1cee h LEU 19 Cb 0.79 -0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 1cee h LEU 19 CO 0.03 1.78 0.43 -0.07 -0.62 0.00 0.00 178.44 179.99 1cee h LEU 20 N 0.06 0.52 0.13 2.25 3.38 -0.76 0.68 115.31 121.57 1cee h LEU 20 Ca -0.35 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1cee h LEU 20 Cb 2.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1cee h LEU 20 CO 0.16 0.23 -0.06 0.40 0.09 0.00 0.00 178.44 179.25 1cee h ILE 21 N 0.62 1.06 0.00 1.22 1.08 -1.66 -3.00 117.51 116.82 1cee h ILE 21 Ca 0.45 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1cee h ILE 21 Cb 0.62 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1cee h ILE 21 CO -0.35 0.22 0.00 -1.54 -0.69 0.00 0.00 178.15 175.78 1cee n SER 22 N -4.96 0.31 -0.00 1.72 3.41 -0.74 -0.27 113.62 113.08 1cee n SER 22 Ca -0.09 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 1cee n SER 22 Cb 0.25 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cee h TYR 23 N 0.00 -0.10 0.00 7.33 3.20 0.50 -2.70 116.97 125.19 1cee h TYR 23 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cee h TYR 23 Cb 0.22 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1cee h TYR 23 CO 0.00 0.38 -1.79 -2.37 -1.64 0.00 0.00 178.16 172.75 1cee n THR 24 N -4.80 0.01 0.25 1.81 5.66 -1.18 -4.36 114.28 111.66 1cee n THR 24 Ca -0.06 -0.40 0.09 0.00 -3.05 0.00 0.00 64.05 60.62 1cee n THR 24 Cb 0.26 0.18 -0.13 0.00 -1.55 0.00 0.00 70.33 69.09 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cee n THR 25 N -2.12 0.00 -1.20 1.09 -2.24 0.62 -4.98 114.28 105.45 1cee n THR 25 Ca -0.02 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1cee n THR 25 Cb 0.52 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.94 -4.72 -4.61 3.42 2.85 -1.02 -4.94 115.26 104.31 1cee n ASN 26 Ca -0.01 0.17 -0.33 0.00 -0.11 0.00 0.00 54.58 54.30 1cee n ASN 26 Cb 0.43 -2.83 -0.10 0.00 1.24 0.00 0.00 39.78 38.51 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 -2.24 2.63 -0.48 1.20 2.47 -1.26 -4.93 119.74 117.14 1cee s LYS 27 Ca 0.00 -0.67 -0.13 0.00 -1.56 0.00 0.00 55.97 53.62 1cee s LYS 27 Cb 0.00 -2.55 0.11 0.00 -1.46 0.00 0.00 37.83 33.92 1cee s LYS 27 CO 0.00 0.62 0.39 0.12 0.16 0.00 0.00 175.35 176.64 1cee s PHE 28 N -0.98 3.32 0.81 4.03 5.36 -1.26 -1.79 117.98 127.47 1cee s PHE 28 Ca 0.17 -1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 54.58 1cee s PHE 28 Cb -0.11 -3.43 0.08 0.00 -0.34 0.00 0.00 43.02 39.22 1cee s PHE 28 CO 0.07 -0.94 1.09 -1.25 -1.46 0.00 0.00 175.22 172.73 1cee s PRO 29 N 1.50 1.94 0.00 10.12 0.04 -1.26 -5.01 135.00 142.33 1cee s PRO 29 Ca 0.04 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1cee s PRO 29 Cb -0.26 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1cee s PRO 29 CO 0.02 -1.77 0.00 0.45 0.04 0.00 0.00 177.00 175.75 1cee n SER 30 N -3.56 2.26 -4.62 6.66 2.88 -1.26 -5.00 113.62 110.98 1cee n SER 30 Ca 0.07 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.21 1cee n SER 30 Cb 0.55 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.03 1cee n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cee n GLU 31 N -2.09 1.29 -3.80 -1.46 4.71 -1.26 -4.99 120.64 113.04 1cee n GLU 31 Ca 0.00 0.47 -0.30 0.00 -0.01 0.00 0.00 57.16 57.32 1cee n GLU 31 Cb 0.29 -2.10 -0.15 0.00 -1.01 0.00 0.00 31.44 28.47 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1cee s TYR 32 N -1.34 2.09 0.16 -0.32 5.04 -1.26 -4.89 117.35 116.83 1cee s TYR 32 Ca 0.66 -1.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.39 1cee s TYR 32 Cb -0.52 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 39.93 1cee s TYR 32 CO 0.55 -0.86 0.00 1.33 -1.34 0.00 0.00 175.55 175.23 1cee n VAL 33 N 4.74 0.00 -2.16 3.14 0.24 -1.26 -5.12 118.33 117.91 1cee n VAL 33 Ca -0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 1cee n VAL 33 Cb 0.43 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1cee n VAL 33 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1cee s PRO 34 N -1.91 4.21 0.00 7.34 0.04 -1.26 -4.71 135.00 138.72 1cee s PRO 34 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1cee s PRO 34 Cb 0.00 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1cee s PRO 34 CO 0.00 -0.77 0.00 2.41 0.04 0.00 0.00 177.00 178.68 1cee n THR 35 N 5.34 0.00 0.00 1.26 -1.04 -1.26 -5.07 114.28 113.52 1cee n THR 35 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1cee n THR 35 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1cee n THR 35 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1cee n VAL 36 N -0.43 0.00 -3.66 12.58 3.14 -1.26 -4.09 118.33 124.61 1cee n VAL 36 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1cee n VAL 36 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1cee s PHE 37 N 0.00 -0.92 -0.03 1.45 2.19 -1.26 -1.63 117.98 117.78 1cee s PHE 37 Ca 0.00 1.75 -0.03 0.00 0.33 0.00 0.00 56.93 58.98 1cee s PHE 37 Cb 0.00 0.47 0.01 0.00 -1.31 0.00 0.00 43.02 42.18 1cee s PHE 37 CO 0.00 -0.49 0.10 -0.51 1.83 0.00 0.00 175.22 176.14 1cee s ASP 38 N 2.16 -0.09 -0.22 6.13 1.11 -1.16 -5.00 116.67 119.60 1cee s ASP 38 Ca -0.06 0.16 -0.02 0.00 0.18 0.00 0.00 52.55 52.81 1cee s ASP 38 Cb -0.10 0.20 0.01 0.00 1.07 0.00 0.00 42.92 44.10 1cee s ASP 38 CO -0.15 -0.05 -0.08 0.21 1.18 0.00 0.00 175.17 176.27 1cee s ASN 39 N -0.04 4.05 0.28 0.27 3.04 -1.26 -1.95 114.94 119.33 1cee s ASN 39 Ca -0.01 -0.65 0.10 0.00 0.04 0.00 0.00 52.86 52.34 1cee s ASN 39 Cb -0.01 -1.65 -0.05 0.00 -1.54 0.00 0.00 41.25 38.00 1cee s ASN 39 CO 0.00 -0.06 -0.04 -0.31 -3.04 0.00 0.00 177.10 173.65 1cee s TYR 40 N 1.37 2.57 -0.07 0.43 2.02 -0.28 -4.99 117.35 118.41 1cee s TYR 40 Ca 0.03 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1cee s TYR 40 Cb -0.15 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1cee s TYR 40 CO -0.06 0.61 -0.00 0.00 -1.57 0.00 0.00 175.55 174.53 1cee s ALA 41 N -2.41 0.72 -0.04 3.71 0.00 -1.26 -0.37 121.76 122.12 1cee s ALA 41 Ca 0.32 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1cee s ALA 41 Cb -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1cee s ALA 41 CO 0.19 -0.45 -0.04 0.08 0.00 0.00 0.00 175.76 175.54 1cee s VAL 42 N 1.95 3.92 -0.23 0.00 1.01 -0.86 -4.89 120.40 121.30 1cee s VAL 42 Ca 0.05 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1cee s VAL 42 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1cee s VAL 42 CO -0.05 0.49 0.10 -0.89 0.00 0.00 0.00 175.10 174.75 1cee s THR 43 N -0.94 4.84 0.08 3.92 2.01 -1.26 0.17 115.64 124.46 1cee s THR 43 Ca 0.16 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1cee s THR 43 Cb -0.11 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1cee s THR 43 CO 0.05 0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 1cee s VAL 44 N 1.10 0.71 -1.01 3.82 1.01 -0.85 -4.96 120.40 120.22 1cee s VAL 44 Ca 0.05 -1.62 -0.19 0.00 0.00 0.00 0.00 61.98 60.23 1cee s VAL 44 Cb -0.14 -1.29 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1cee s VAL 44 CO 0.04 -0.65 1.29 -0.04 0.00 0.00 0.00 175.10 175.73 1cee s MET 45 N -2.93 3.68 -0.21 2.72 -1.94 -1.26 -0.56 119.30 118.80 1cee s MET 45 Ca 0.04 -1.71 -0.08 0.00 -1.71 0.00 0.00 55.69 52.24 1cee s MET 45 Cb -0.01 -5.09 -0.04 0.00 2.01 0.00 0.00 34.83 31.70 1cee s MET 45 CO -0.02 -1.92 0.08 0.42 -0.01 0.00 0.00 175.02 173.57 1cee s ILE 46 N 3.25 4.71 -1.50 2.53 1.01 -0.17 -4.43 121.20 126.59 1cee s ILE 46 Ca 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 1cee s ILE 46 Cb -0.03 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1cee s ILE 46 CO -0.07 0.40 0.34 0.61 0.00 0.00 0.00 174.94 176.22 1cee n GLY 47 N 4.10 -0.41 2.39 6.18 0.00 -1.26 -2.08 105.19 114.12 1cee n GLY 47 Ca -0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 -0.14 3.34 -0.02 0.00 -1.26 -5.01 105.19 100.81 1cee n GLY 48 Ca -0.15 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.95 0.91 -0.28 1.61 2.02 -0.88 -5.13 118.70 112.01 1cee s GLU 49 Ca 0.09 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.53 1cee s GLU 49 Cb -0.04 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.59 1cee s GLU 49 CO 0.11 -0.30 1.53 -1.25 0.02 0.00 0.00 175.26 175.36 1cee s PRO 50 N -2.17 3.75 0.50 0.39 0.04 -1.26 -1.00 135.00 135.24 1cee s PRO 50 Ca -0.07 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.45 1cee s PRO 50 Cb -0.01 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 1cee s PRO 50 CO -0.00 -1.34 0.14 0.71 0.04 0.00 0.00 177.00 176.55 1cee s TYR 51 N 5.19 1.98 -0.03 0.56 1.51 0.28 -4.87 117.35 121.96 1cee s TYR 51 Ca 0.67 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1cee s TYR 51 Cb -0.21 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1cee s TYR 51 CO 0.29 0.05 -0.05 0.99 -1.11 0.00 0.00 175.55 175.71 1cee s THR 52 N -2.79 0.57 -0.38 -0.71 2.01 -1.17 -2.00 115.64 111.17 1cee s THR 52 Ca 0.22 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.88 1cee s THR 52 Cb 0.02 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1cee s THR 52 CO 0.12 0.21 0.33 -0.22 -0.69 0.00 0.00 174.62 174.38 1cee s LEU 53 N 0.62 4.75 -0.86 4.42 2.96 0.46 -2.16 118.68 128.86 1cee s LEU 53 Ca -0.08 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.01 1cee s LEU 53 Cb -0.12 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1cee s LEU 53 CO 0.00 -0.40 1.64 -0.83 -1.32 0.00 0.00 176.35 175.44 1cee s GLY 54 N 1.73 0.68 0.02 7.98 0.00 0.33 -2.03 107.32 116.03 1cee s GLY 54 Ca 0.09 -1.59 -0.25 0.00 0.00 0.00 0.00 44.72 42.96 1cee s GLY 54 CO 0.11 3.05 0.77 1.08 0.00 0.00 0.00 173.10 178.11 1cee s LEU 55 N 7.38 4.42 -0.11 0.66 1.02 0.50 -1.43 118.68 131.12 1cee s LEU 55 Ca 0.55 1.41 -0.04 0.00 0.02 0.00 0.00 54.13 56.07 1cee s LEU 55 Cb -0.06 -3.22 0.05 0.00 0.02 0.00 0.00 46.19 42.99 1cee s LEU 55 CO 0.03 -0.03 0.21 -0.36 0.02 0.00 0.00 176.35 176.22 1cee s PHE 56 N 0.19 -0.30 -0.19 0.29 0.40 -1.04 -1.12 117.98 116.20 1cee s PHE 56 Ca 0.39 0.79 -0.06 0.00 -0.60 0.00 0.00 56.93 57.45 1cee s PHE 56 Cb -0.20 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.17 1cee s PHE 56 CO 0.22 -0.31 0.04 0.16 0.70 0.00 0.00 175.22 176.04 1cee s ASP 57 N 2.26 5.30 0.35 1.36 1.47 -0.82 -1.12 116.67 125.46 1cee s ASP 57 Ca 0.01 -0.05 0.07 0.00 1.18 0.00 0.00 52.55 53.76 1cee s ASP 57 Cb -0.12 -1.91 -0.01 0.00 -0.34 0.00 0.00 42.92 40.54 1cee s ASP 57 CO -0.07 0.11 0.45 0.42 0.68 0.00 0.00 175.17 176.76 1cee s THR 58 N 0.72 3.77 0.33 2.11 -4.23 -1.23 -3.01 115.64 114.10 1cee s THR 58 Ca 0.02 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1cee s THR 58 Cb -0.14 -3.29 -0.10 0.00 1.34 0.00 0.00 72.50 70.31 1cee s THR 58 CO 0.02 -0.13 0.88 0.00 -0.54 0.00 0.00 174.62 174.85 1cee s ALA 59 N -2.23 3.21 -0.13 3.99 0.00 -0.65 -4.80 121.76 121.15 1cee s ALA 59 Ca 0.46 0.37 0.18 0.00 0.00 0.00 0.00 51.96 52.97 1cee s ALA 59 Cb -0.09 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.81 1cee s ALA 59 CO 0.30 0.21 0.70 0.41 0.00 0.00 0.00 175.76 177.38 1cee n GLY 60 N 0.15 -1.17 3.74 0.00 0.00 -1.26 -4.88 105.19 101.77 1cee n GLY 60 Ca 0.03 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.98 2.60 0.32 1.61 -1.52 -1.26 -3.54 119.66 114.90 1cee s GLN 61 Ca -0.04 1.96 0.15 0.00 -1.95 0.00 0.00 55.36 55.48 1cee s GLN 61 Cb 0.09 -1.86 0.52 0.00 -0.22 0.00 0.00 33.01 31.53 1cee s GLN 61 CO 0.82 -1.53 1.67 1.49 -0.25 0.00 0.00 175.29 177.50 1cee h GLU 62 N 0.52 0.00 0.00 2.91 4.81 -1.99 -2.93 114.58 117.89 1cee h GLU 62 Ca -0.50 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1cee h GLU 62 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1cee h GLU 62 CO 0.53 0.50 -0.23 0.22 -0.73 0.00 0.00 179.01 179.29 1cee h ASP 63 N 0.00 0.00 0.45 1.04 3.58 -1.99 -1.69 116.42 117.81 1cee h ASP 63 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cee h ASP 63 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1cee h ASP 63 CO 0.06 0.23 -0.16 -1.22 -2.88 0.00 0.00 179.24 175.27 1cee n TYR 64 N -3.98 0.00 0.26 0.28 4.02 -1.11 -3.96 117.16 112.67 1cee n TYR 64 Ca -0.02 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.05 1cee n TYR 64 Cb 0.31 -0.23 0.83 0.00 -0.02 0.00 0.00 39.34 40.24 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 0.48 0.00 -0.07 7.72 3.58 -1.33 -1.25 116.42 125.55 1cee h ASP 65 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1cee h ASP 65 Cb 0.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1cee h ASP 65 CO 0.00 0.00 -0.01 0.03 -2.88 0.00 0.00 179.24 176.38 1cee h ARG 66 N 0.00 0.13 -0.65 0.28 2.47 -1.78 -3.10 114.38 111.72 1cee h ARG 66 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1cee h ARG 66 Cb 0.70 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1cee h ARG 66 CO -0.00 0.44 0.00 1.47 0.56 0.00 0.00 179.97 182.44 1cee n LEU 67 N -4.83 4.75 -0.07 3.04 -0.00 -0.54 -4.38 117.00 114.97 1cee n LEU 67 Ca -0.07 -2.41 -0.14 0.00 -0.00 0.00 0.00 56.01 53.39 1cee n LEU 67 Cb 0.22 -0.62 -0.13 0.00 -0.00 0.00 0.00 43.42 42.88 1cee n LEU 67 CO 0.35 0.60 0.38 -0.09 -0.00 0.00 0.00 177.39 178.63 1cee h ARG 68 N 3.38 0.00 0.00 1.47 2.43 -1.29 -3.31 114.38 117.06 1cee h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cee h ARG 68 Cb 1.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 1cee h ARG 68 CO 0.36 1.00 0.20 -1.35 -1.51 0.00 0.00 179.97 178.66 1cee h PRO 69 N -1.00 0.00 -0.26 0.20 0.11 -1.76 -2.56 132.00 126.73 1cee h PRO 69 Ca -0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.18 1cee h PRO 69 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1cee h PRO 69 CO -0.00 0.00 0.49 -0.07 -0.21 0.00 0.00 178.00 178.21 1cee h LEU 70 N 0.00 0.00 -3.01 2.35 4.07 -1.85 0.31 115.31 117.17 1cee h LEU 70 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cee h LEU 70 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1cee h LEU 70 CO 0.00 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 177.12 1cee n SER 71 N -3.27 2.38 -0.00 -0.43 2.88 -0.96 -4.72 113.62 109.50 1cee n SER 71 Ca 0.04 -2.81 -0.22 0.00 -1.33 0.00 0.00 58.87 54.56 1cee n SER 71 Cb 0.62 -0.33 -0.14 0.00 -0.75 0.00 0.00 64.21 63.61 1cee n SER 71 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1cee h TYR 72 N 0.16 0.43 -3.82 0.66 -1.99 -0.53 -3.44 116.97 108.44 1cee h TYR 72 Ca 0.00 -0.31 -0.50 0.00 2.00 0.00 0.00 58.73 59.92 1cee h TYR 72 Cb 0.91 -0.02 0.02 0.00 2.00 0.00 0.00 36.73 39.63 1cee h TYR 72 CO 0.04 1.64 0.46 -1.25 -0.00 0.00 0.00 178.16 179.05 1cee s PRO 73 N -2.50 4.60 -0.71 4.88 0.04 -1.25 -3.15 135.00 136.90 1cee s PRO 73 Ca -0.22 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1cee s PRO 73 Cb 0.05 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1cee s PRO 73 CO 0.75 0.19 0.00 0.94 0.04 0.00 0.00 177.00 178.92 1cee n GLN 74 N 1.07 -0.50 -2.64 4.56 0.00 -1.26 -4.99 117.38 113.61 1cee n GLN 74 Ca -0.01 0.66 -0.42 0.00 -0.00 0.00 0.00 57.00 57.24 1cee n GLN 74 Cb 0.45 -4.48 -0.03 0.00 0.00 0.00 0.00 30.24 26.19 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1cee s THR 75 N -2.28 4.57 -0.25 1.69 2.01 -1.19 -4.79 115.64 115.41 1cee s THR 75 Ca 0.00 1.90 0.21 0.00 0.31 0.00 0.00 61.69 64.11 1cee s THR 75 Cb 0.00 -4.22 0.04 0.00 0.01 0.00 0.00 72.50 68.34 1cee s THR 75 CO 0.00 0.18 1.15 0.44 -0.69 0.00 0.00 174.62 175.70 1cee h ASP 76 N 6.51 0.00 -5.45 3.53 3.32 -1.51 -3.47 116.42 119.35 1cee h ASP 76 Ca -0.42 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.84 1cee h ASP 76 Cb 1.22 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1cee h ASP 76 CO 0.76 0.16 0.58 0.54 -1.72 0.00 0.00 179.24 179.56 1cee s VAL 77 N -3.21 0.00 0.00 -1.35 0.11 -1.17 -4.17 120.40 110.62 1cee s VAL 77 Ca 0.01 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1cee s VAL 77 Cb 0.08 -2.26 -0.01 0.00 -1.53 0.00 0.00 36.38 32.67 1cee s VAL 77 CO 0.77 0.00 -0.02 -0.36 -3.33 0.00 0.00 175.10 172.15 1cee s PHE 78 N -2.80 0.21 -0.47 1.54 0.08 -1.15 -2.99 117.98 112.39 1cee s PHE 78 Ca 0.16 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.97 1cee s PHE 78 Cb -0.01 -0.13 0.11 0.00 -0.57 0.00 0.00 43.02 42.42 1cee s PHE 78 CO 0.02 -0.03 0.36 -0.51 -0.10 0.00 0.00 175.22 174.95 1cee s LEU 79 N -0.35 5.69 -0.97 -0.37 1.43 0.73 -1.29 118.68 123.55 1cee s LEU 79 Ca -0.02 -1.80 -0.13 0.00 -1.03 0.00 0.00 54.13 51.14 1cee s LEU 79 Cb -0.03 -2.05 0.21 0.00 0.03 0.00 0.00 46.19 44.36 1cee s LEU 79 CO -0.00 -0.69 1.01 -0.69 0.23 0.00 0.00 176.35 176.20 1cee s VAL 80 N 1.42 5.50 -0.42 -1.59 1.01 -0.94 0.17 120.40 125.54 1cee s VAL 80 Ca 0.05 -2.60 -0.23 0.00 0.00 0.00 0.00 61.98 59.20 1cee s VAL 80 Cb -0.26 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.52 1cee s VAL 80 CO 0.01 -1.23 0.78 0.00 0.00 0.00 0.00 175.10 174.66 1cee s PHE 82 N 3.23 3.15 -0.57 0.00 -0.71 -0.19 -4.83 117.98 118.06 1cee s PHE 82 Ca 0.30 -0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.82 1cee s PHE 82 Cb -0.12 -1.58 0.05 0.00 -1.21 0.00 0.00 43.02 40.15 1cee s PHE 82 CO 0.21 0.38 0.92 -1.12 -1.34 0.00 0.00 175.22 174.26 1cee s SER 83 N -3.94 6.30 0.37 1.98 0.01 -1.26 -2.16 113.70 115.00 1cee s SER 83 Ca 0.36 -0.51 0.10 0.00 1.31 0.00 0.00 55.95 57.21 1cee s SER 83 Cb -0.08 -2.42 0.86 0.00 0.21 0.00 0.00 66.02 64.59 1cee s SER 83 CO 0.27 -1.23 1.89 0.58 0.41 0.00 0.00 173.24 175.15 1cee h VAL 84 N 6.00 0.84 -0.66 3.43 2.07 -1.82 -0.69 116.25 125.41 1cee h VAL 84 Ca -0.27 -0.22 -0.44 0.00 0.82 0.00 0.00 66.70 66.60 1cee h VAL 84 Cb 1.07 0.14 -0.19 0.00 -1.52 0.00 0.00 31.29 30.80 1cee h VAL 84 CO 1.09 0.12 0.57 1.33 0.02 0.00 0.00 177.57 180.69 1cee n VAL 85 N -4.54 3.02 -3.23 2.57 0.24 -1.26 -1.38 118.33 113.75 1cee n VAL 85 Ca 0.16 -2.02 -0.03 0.00 -2.04 0.00 0.00 64.34 60.42 1cee n VAL 85 Cb 0.47 -1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 31.59 1cee n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cee s SER 86 N -0.52 -0.72 0.41 -1.34 0.01 -0.27 -4.83 113.70 106.44 1cee s SER 86 Ca 0.42 -0.34 0.17 0.00 1.31 0.00 0.00 55.95 57.51 1cee s SER 86 Cb 0.33 1.59 1.06 0.00 0.21 0.00 0.00 66.02 69.22 1cee s SER 86 CO 0.00 -0.29 1.83 -0.65 0.41 0.00 0.00 173.24 174.55 1cee h PRO 87 N 7.78 0.42 -0.58 12.44 0.11 -1.80 0.16 132.00 150.53 1cee h PRO 87 Ca -0.02 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.20 1cee h PRO 87 Cb 1.15 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1cee h PRO 87 CO 0.18 0.28 0.40 0.77 -0.21 0.00 0.00 178.00 179.42 1cee h SER 88 N 0.43 0.18 -0.08 -2.05 0.02 -1.95 0.12 113.55 110.22 1cee h SER 88 Ca 0.50 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.29 1cee h SER 88 Cb 1.22 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1cee h SER 88 CO -0.21 0.10 -0.61 0.28 -1.14 0.00 0.00 176.83 175.25 1cee h SER 89 N 0.19 0.66 -0.26 3.07 0.02 -0.94 -2.77 113.55 113.53 1cee h SER 89 Ca 0.28 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1cee h SER 89 Cb 0.83 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1cee h SER 89 CO -0.05 1.24 0.10 0.15 -1.14 0.00 0.00 176.83 177.13 1cee h PHE 90 N 0.14 0.41 -0.63 3.45 3.57 -1.04 1.45 116.94 124.28 1cee h PHE 90 Ca -0.05 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1cee h PHE 90 Cb 1.27 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1cee h PHE 90 CO 0.12 0.43 0.40 0.93 -2.23 0.00 0.00 178.31 177.95 1cee h GLU 91 N 0.27 0.76 0.02 1.11 5.08 -0.92 -2.37 114.58 118.53 1cee h GLU 91 Ca 0.09 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1cee h GLU 91 Cb 0.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1cee h GLU 91 CO -0.01 0.51 -1.03 -0.91 -1.00 0.00 0.00 179.01 176.57 1cee h ASN 92 N 0.79 0.09 -0.70 1.42 2.35 -1.34 -2.91 115.58 115.28 1cee h ASN 92 Ca 0.25 -0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.05 1cee h ASN 92 Cb -0.02 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.21 1cee h ASN 92 CO -0.09 1.05 0.05 0.58 -1.65 0.00 0.00 177.43 177.38 1cee h VAL 93 N 0.02 0.44 0.00 2.81 2.07 0.25 1.40 116.25 123.24 1cee h VAL 93 Ca -0.03 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1cee h VAL 93 Cb 1.77 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1cee h VAL 93 CO 0.14 0.03 -0.66 0.07 0.02 0.00 0.00 177.57 177.17 1cee h LYS 94 N 0.15 0.00 -2.03 1.57 2.10 -1.56 -3.15 116.57 113.65 1cee h LYS 94 Ca 0.38 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.50 1cee h LYS 94 Cb 0.65 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.58 1cee h LYS 94 CO -0.57 0.28 -1.10 0.39 -2.00 0.00 0.00 179.45 176.45 1cee n GLU 95 N -3.05 1.08 0.00 0.07 -0.58 0.28 -4.69 120.64 113.76 1cee n GLU 95 Ca -0.00 -3.47 0.00 0.00 -0.42 0.00 0.00 57.16 53.27 1cee n GLU 95 Cb 0.69 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1cee n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cee n LYS 96 N 0.75 0.00 0.03 3.49 3.00 0.45 -4.56 118.16 121.32 1cee n LYS 96 Ca 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.42 1cee n LYS 96 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.06 0.24 5.64 4.06 -1.22 -2.77 115.95 121.85 1cee h TRP 97 Ca 0.00 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1cee h TRP 97 Cb 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1cee h TRP 97 CO 0.00 0.28 -0.12 0.28 -3.56 0.00 0.00 178.44 175.32 1cee h VAL 98 N -0.40 0.00 -0.68 1.49 2.07 -1.76 -3.32 116.25 113.65 1cee h VAL 98 Ca -0.01 -0.73 0.20 0.00 0.82 0.00 0.00 66.70 66.98 1cee h VAL 98 Cb 0.36 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1cee h VAL 98 CO 0.01 0.00 0.61 1.55 0.02 0.00 0.00 177.57 179.76 1cee h PRO 99 N -1.06 0.00 -0.65 1.57 0.13 -1.84 0.16 132.00 130.32 1cee h PRO 99 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1cee h PRO 99 Cb 0.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 1cee h PRO 99 CO 0.05 0.00 0.30 0.93 -0.23 0.00 0.00 178.00 179.06 1cee h GLU 100 N 0.00 0.93 0.00 0.86 4.39 -1.58 -2.74 114.58 116.43 1cee h GLU 100 Ca 0.32 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 1cee h GLU 100 Cb 1.53 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1cee h GLU 100 CO -0.00 0.72 -1.22 0.82 -1.16 0.00 0.00 179.01 178.17 1cee h ILE 101 N 0.92 0.53 0.00 3.13 2.04 -0.82 -3.34 117.51 119.98 1cee h ILE 101 Ca 0.23 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 1cee h ILE 101 Cb 0.11 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1cee h ILE 101 CO -0.03 0.30 -0.03 0.71 0.00 0.00 0.00 178.15 179.11 1cee h THR 102 N 0.00 0.66 0.00 -0.27 1.35 -1.04 0.69 112.91 114.30 1cee h THR 102 Ca -0.12 -0.12 -0.07 0.00 -0.55 0.00 0.00 66.41 65.55 1cee h THR 102 Cb 1.51 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 1cee h THR 102 CO 0.05 0.03 -0.33 0.45 -0.25 0.00 0.00 175.52 175.46 1cee h HIS 103 N 0.00 0.00 0.00 4.73 3.86 -1.66 -2.44 115.15 119.64 1cee h HIS 103 Ca -0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1cee h HIS 103 Cb 0.07 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 1cee h HIS 103 CO 0.00 0.33 -2.32 0.72 0.86 0.00 0.00 177.93 177.53 1cee n HIS 104 N -3.66 0.00 -3.11 2.45 -0.00 -0.34 -4.88 115.22 105.67 1cee n HIS 104 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 1cee n HIS 104 Cb 0.44 -0.91 -0.04 0.00 -0.00 0.00 0.00 29.99 29.49 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 3.49 0.91 -0.09 0.00 -0.04 -0.92 -3.79 135.00 134.56 1cee n PRO 106 Ca 0.18 -0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 63.18 1cee n PRO 106 Cb 0.52 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.72 0.91 -0.79 0.54 -0.00 -1.26 -4.99 118.16 111.86 1cee n LYS 107 Ca 0.16 -0.02 -0.32 0.00 -0.00 0.00 0.00 58.31 58.13 1cee n LYS 107 Cb 0.28 -1.48 0.15 0.00 -0.00 0.00 0.00 35.03 33.98 1cee n LYS 107 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cee n THR 108 N -2.66 0.47 -1.78 0.58 -2.24 -1.25 -4.98 114.28 102.42 1cee n THR 108 Ca -0.29 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 1cee n THR 108 Cb 1.07 -1.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1cee n THR 108 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1cee s PRO 109 N -4.40 2.90 -0.27 -0.78 0.04 -1.26 -5.01 135.00 126.21 1cee s PRO 109 Ca 0.67 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1cee s PRO 109 Cb -0.24 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1cee s PRO 109 CO 0.57 -1.16 0.18 -0.06 0.04 0.00 0.00 177.00 176.57 1cee s PHE 110 N -2.45 0.04 -0.01 0.56 0.08 -1.26 -2.96 117.98 111.98 1cee s PHE 110 Ca 0.65 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 1cee s PHE 110 Cb -0.19 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 1cee s PHE 110 CO 0.42 -0.81 1.30 -1.17 -0.10 0.00 0.00 175.22 174.86 1cee s LEU 111 N 2.19 4.31 -0.47 -0.37 2.96 -0.41 -1.51 118.68 125.38 1cee s LEU 111 Ca 0.08 2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 55.79 1cee s LEU 111 Cb -0.15 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.01 1cee s LEU 111 CO -0.32 -0.64 0.64 -0.22 -1.32 0.00 0.00 176.35 174.50 1cee s LEU 112 N 2.12 4.68 0.01 -0.68 2.96 -0.38 -2.22 118.68 125.17 1cee s LEU 112 Ca 0.60 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1cee s LEU 112 Cb -0.29 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1cee s LEU 112 CO 0.25 -0.84 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.71 1cee s VAL 113 N 2.77 3.82 -0.18 1.68 1.01 -0.87 0.10 120.40 128.73 1cee s VAL 113 Ca 0.19 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1cee s VAL 113 Cb -0.16 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1cee s VAL 113 CO 0.16 0.37 -0.05 -0.83 0.00 0.00 0.00 175.10 174.75 1cee s GLY 114 N -1.50 1.04 0.50 4.51 0.00 -0.27 -1.02 107.32 110.58 1cee s GLY 114 Ca 0.18 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 44.01 1cee s GLY 114 CO 0.09 0.93 0.51 -1.59 0.00 0.00 0.00 173.10 173.04 1cee s THR 115 N 1.57 2.20 -0.11 0.90 2.01 -0.92 -2.72 115.64 118.58 1cee s THR 115 Ca -0.01 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 60.71 1cee s THR 115 Cb -0.16 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1cee s THR 115 CO -0.08 0.00 0.09 0.00 -0.69 0.00 0.00 174.62 173.95 1cee n GLN 116 N -1.83 -0.31 -0.00 4.92 1.13 -1.26 -2.98 117.38 117.05 1cee n GLN 116 Ca 0.05 0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 1cee n GLN 116 Cb 0.62 -2.11 -0.14 0.00 0.11 0.00 0.00 30.24 28.73 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 -0.12 0.99 -1.18 5.09 2.04 -1.88 -3.27 117.51 119.18 1cee h ILE 117 Ca -0.06 -2.80 0.35 0.00 1.00 0.00 0.00 64.86 63.35 1cee h ILE 117 Cb 1.03 2.52 -0.10 0.00 -0.74 0.00 0.00 36.82 39.52 1cee h ILE 117 CO 0.04 0.62 0.77 -2.24 0.00 0.00 0.00 178.15 177.34 1cee h ASP 118 N 0.01 0.32 0.25 1.72 2.03 -1.96 0.56 116.42 119.35 1cee h ASP 118 Ca -0.25 0.10 -0.34 0.00 -0.73 0.00 0.00 57.03 55.81 1cee h ASP 118 Cb 1.98 0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 40.52 1cee h ASP 118 CO 0.09 -0.03 -1.84 -0.07 -1.03 0.00 0.00 179.24 176.37 1cee h LEU 119 N 0.23 0.37 -2.26 0.15 3.38 -1.93 -3.24 115.31 112.01 1cee h LEU 119 Ca 0.69 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1cee h LEU 119 Cb 2.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1cee h LEU 119 CO -0.32 1.64 0.09 -0.09 0.09 0.00 0.00 178.44 179.86 1cee h ARG 120 N 0.07 0.00 -0.54 1.13 2.43 -0.36 0.22 114.38 117.33 1cee h ARG 120 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1cee h ARG 120 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1cee h ARG 120 CO 0.11 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 1cee n ASP 121 N -4.01 4.67 -4.01 -3.80 -0.08 0.15 -4.77 116.55 104.71 1cee n ASP 121 Ca -0.01 -2.62 -0.33 0.00 -1.51 0.00 0.00 54.79 50.33 1cee n ASP 121 Cb 0.20 -0.57 -0.11 0.00 2.34 0.00 0.00 41.12 42.98 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 -1.08 4.89 0.24 1.67 2.15 0.78 -4.98 116.67 120.35 1cee s ASP 122 Ca 0.48 -3.16 -0.12 0.00 0.43 0.00 0.00 52.55 50.18 1cee s ASP 122 Cb 0.33 -1.74 0.33 0.00 -0.30 0.00 0.00 42.92 41.54 1cee s ASP 122 CO 0.19 -0.25 1.58 -0.65 -0.17 0.00 0.00 175.17 175.87 1cee h PRO 123 N 6.47 -0.02 -1.29 4.34 0.11 -1.86 0.20 132.00 139.94 1cee h PRO 123 Ca 0.00 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.50 1cee h PRO 123 Cb 0.88 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.90 1cee h PRO 123 CO 0.72 -0.01 0.86 0.77 -0.21 0.00 0.00 178.00 180.13 1cee h SER 124 N -0.02 0.24 0.06 -2.05 0.02 -1.93 0.51 113.55 110.37 1cee h SER 124 Ca 0.38 0.09 -0.31 0.00 -0.84 0.00 0.00 61.79 61.11 1cee h SER 124 Cb 0.61 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1cee h SER 124 CO -0.87 -0.07 -1.71 0.35 -1.14 0.00 0.00 176.83 173.39 1cee n THR 125 N -4.52 1.65 -0.17 -2.27 -2.24 0.53 -2.93 114.28 104.33 1cee n THR 125 Ca 0.33 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1cee n THR 125 Cb 1.31 -1.87 0.07 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.48 0.79 0.00 2.28 2.04 0.48 -0.17 117.51 122.45 1cee h ILE 126 Ca -0.41 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1cee h ILE 126 Cb 1.68 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1cee h ILE 126 CO -0.08 0.06 -0.11 -0.33 0.00 0.00 0.00 178.15 177.68 1cee h GLU 127 N 0.33 0.00 -0.16 2.37 5.08 -0.26 0.16 114.58 122.09 1cee h GLU 127 Ca 0.25 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1cee h GLU 127 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cee h GLU 127 CO -0.28 0.11 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.46 1cee h LYS 128 N 0.00 0.39 0.00 2.33 3.64 -0.95 -3.32 116.57 118.67 1cee h LYS 128 Ca -0.00 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1cee h LYS 128 Cb 0.89 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1cee h LYS 128 CO 0.01 0.77 -1.75 1.47 -2.27 0.00 0.00 179.45 177.69 1cee n LEU 129 N -4.52 0.28 -0.50 5.20 -0.00 -0.61 -4.31 117.00 112.53 1cee n LEU 129 Ca -0.06 0.11 0.43 0.00 -0.00 0.00 0.00 56.01 56.49 1cee n LEU 129 Cb 0.38 0.04 0.69 0.00 -0.00 0.00 0.00 43.42 44.53 1cee n LEU 129 CO 0.40 0.01 1.40 0.00 -0.00 0.00 0.00 177.39 179.20 1cee h ALA 130 N 1.86 3.49 0.00 1.47 0.00 -0.48 0.35 119.26 125.95 1cee h ALA 130 Ca -0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 130 Cb 1.17 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1cee h ALA 130 CO 0.01 -2.10 -0.57 1.63 0.00 0.00 0.00 179.25 178.22 1cee n LYS 131 N -3.73 0.64 -0.02 0.00 5.02 -1.26 -4.78 118.16 114.03 1cee n LYS 131 Ca 0.35 -2.18 -0.02 0.00 -2.02 0.00 0.00 58.31 54.44 1cee n LYS 131 Cb 1.77 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 35.93 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 -0.40 3.94 0.00 4.39 3.02 0.12 -5.01 115.26 121.32 1cee n ASN 132 Ca 0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1cee n ASN 132 Cb 0.82 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 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 -2.18 0.00 -4.14 3.52 2.85 -1.11 -5.10 118.16 112.01 1cee n LYS 133 Ca -0.07 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.92 1cee n LYS 133 Cb 0.64 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.95 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cee s GLN 134 N 0.00 2.64 -0.10 -1.58 -0.21 -1.14 -4.93 119.66 114.33 1cee s GLN 134 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 55.36 54.34 1cee s GLN 134 Cb 0.00 -2.52 0.03 0.00 1.00 0.00 0.00 33.01 31.52 1cee s GLN 134 CO 0.00 0.49 0.27 0.15 -2.12 0.00 0.00 175.29 174.08 1cee s LYS 135 N -2.84 0.31 0.26 2.91 3.01 -1.26 -2.72 119.74 119.41 1cee s LYS 135 Ca 0.28 0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 55.33 1cee s LYS 135 Cb -0.10 0.14 -0.09 0.00 -1.01 0.00 0.00 37.83 36.77 1cee s LYS 135 CO 0.20 -0.04 1.11 -1.25 0.51 0.00 0.00 175.35 175.88 1cee s PRO 136 N 0.20 4.62 -0.10 -1.68 0.04 -1.26 -4.28 135.00 132.54 1cee s PRO 136 Ca -0.00 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1cee s PRO 136 Cb -0.02 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1cee s PRO 136 CO -0.00 0.17 0.64 0.42 0.04 0.00 0.00 177.00 178.27 1cee s ILE 137 N -0.95 5.07 0.51 0.56 -1.09 -0.48 -5.02 121.20 119.80 1cee s ILE 137 Ca 0.46 1.30 -0.15 0.00 -2.23 0.00 0.00 60.65 60.02 1cee s ILE 137 Cb -0.32 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 1cee s ILE 137 CO 0.40 0.24 0.96 0.42 -1.23 0.00 0.00 174.94 175.73 1cee s THR 138 N 0.98 4.57 0.46 2.92 -4.23 -1.26 -4.90 115.64 114.18 1cee s THR 138 Ca 0.33 1.13 0.15 0.00 -1.18 0.00 0.00 61.69 62.12 1cee s THR 138 Cb -0.17 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.26 1cee s THR 138 CO 0.15 -0.70 2.01 -0.65 -0.54 0.00 0.00 174.62 174.89 1cee h PRO 139 N 0.87 0.31 -0.05 3.99 0.11 -1.99 -0.51 132.00 134.72 1cee h PRO 139 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1cee h PRO 139 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1cee h PRO 139 CO 0.62 0.20 -0.71 0.93 -0.21 0.00 0.00 178.00 178.84 1cee h GLU 140 N 0.32 0.27 -0.27 1.05 5.08 -2.00 -2.38 114.58 116.65 1cee h GLU 140 Ca 0.22 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1cee h GLU 140 Cb 0.47 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1cee h GLU 140 CO -0.05 0.87 -0.30 1.15 -1.00 0.00 0.00 179.01 179.68 1cee h THR 141 N 0.19 1.31 -0.63 1.13 2.02 -1.51 -3.04 112.91 112.38 1cee h THR 141 Ca -0.02 -1.48 -0.07 0.00 0.77 0.00 0.00 66.41 65.61 1cee h THR 141 Cb 1.26 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 1cee h THR 141 CO 0.11 0.47 0.11 0.00 0.37 0.00 0.00 175.52 176.58 1cee h ALA 142 N 0.69 1.01 -0.05 6.16 0.00 -1.27 -3.01 119.26 122.79 1cee h ALA 142 Ca 0.04 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 142 Cb 0.87 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1cee h ALA 142 CO 0.07 0.63 -0.36 1.49 0.00 0.00 0.00 179.25 181.09 1cee h GLU 143 N 0.96 -0.46 -0.94 0.00 4.22 -1.38 -0.23 114.58 116.75 1cee h GLU 143 Ca 0.19 0.03 0.24 0.00 0.08 0.00 0.00 59.36 59.90 1cee h GLU 143 Cb 0.40 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.59 1cee h GLU 143 CO 0.01 -0.31 -0.02 -0.22 -2.18 0.00 0.00 179.01 176.29 1cee h LYS 144 N -0.48 0.03 -0.57 1.92 3.64 -1.41 1.07 116.57 120.77 1cee h LYS 144 Ca 0.07 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1cee h LYS 144 Cb 0.59 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1cee h LYS 144 CO -0.32 0.02 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.74 1cee h LEU 145 N 0.03 1.04 -2.26 5.20 3.38 -1.30 0.16 115.31 121.56 1cee h LEU 145 Ca 0.54 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1cee h LEU 145 Cb 1.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1cee h LEU 145 CO -0.88 1.13 0.10 0.00 0.09 0.00 0.00 178.44 178.88 1cee h ALA 146 N 0.96 1.79 0.01 1.53 0.00 0.28 0.10 119.26 123.94 1cee h ALA 146 Ca 0.15 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1cee h ALA 146 Cb 0.64 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1cee h ALA 146 CO 0.04 -0.16 -2.04 0.54 0.00 0.00 0.00 179.25 177.63 1cee n ARG 147 N -3.99 0.67 0.20 0.00 1.74 -0.14 0.16 116.66 115.29 1cee n ARG 147 Ca -0.00 0.17 0.08 0.00 -0.77 0.00 0.00 57.85 57.33 1cee n ARG 147 Cb 0.21 -1.67 0.39 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.01 0.00 -0.35 0.55 3.32 0.21 -2.97 116.42 117.19 1cee h ASP 148 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1cee h ASP 148 Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.64 1cee h ASP 148 CO 0.05 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 178.04 1cee n LEU 149 N -3.44 4.27 -1.94 1.55 4.77 0.27 -4.93 117.00 117.55 1cee n LEU 149 Ca 0.00 -2.92 -0.19 0.00 -0.03 0.00 0.00 56.01 52.87 1cee n LEU 149 Cb 0.48 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1cee n LEU 149 CO 0.35 0.67 -0.21 0.29 -1.33 0.00 0.00 177.39 177.16 1cee n LYS 150 N -0.14 -1.58 -1.77 3.23 5.02 -1.12 -4.90 118.16 116.89 1cee n LYS 150 Ca 0.22 1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 57.15 1cee n LYS 150 Cb 0.93 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 30.37 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 -2.79 3.86 0.49 7.82 0.00 0.42 -4.43 121.76 127.13 1cee s ALA 151 Ca 0.00 1.56 0.20 0.00 0.00 0.00 0.00 51.96 53.72 1cee s ALA 151 Cb 0.00 -3.67 1.24 0.00 0.00 0.00 0.00 23.12 20.69 1cee s ALA 151 CO 0.00 -0.92 1.98 -0.39 0.00 0.00 0.00 175.76 176.43 1cee h VAL 152 N 3.71 0.80 0.00 0.00 -1.51 -1.50 -3.42 116.25 114.33 1cee h VAL 152 Ca -0.44 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1cee h VAL 152 Cb 1.21 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1cee h VAL 152 CO 0.90 0.03 0.00 1.17 -1.23 0.00 0.00 177.57 178.45 1cee n LYS 153 N -4.43 0.00 -3.60 5.19 4.81 -1.26 -5.04 118.16 113.83 1cee n LYS 153 Ca 0.10 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.17 1cee n LYS 153 Cb 0.51 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.50 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1cee s TYR 154 N -1.73 3.59 0.14 5.64 5.04 -1.26 -1.24 117.35 127.52 1cee s TYR 154 Ca 0.00 0.72 -0.05 0.00 -2.44 0.00 0.00 57.07 55.30 1cee s TYR 154 Cb 0.00 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 1cee s TYR 154 CO 0.00 0.49 0.16 0.14 -1.34 0.00 0.00 175.55 175.00 1cee s VAL 155 N -0.40 0.09 0.23 3.14 -7.23 0.29 -4.95 120.40 111.57 1cee s VAL 155 Ca 0.19 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1cee s VAL 155 Cb -0.14 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1cee s VAL 155 CO 0.07 -0.41 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.64 1cee s GLU 156 N -4.00 1.41 -0.17 4.82 2.12 -1.26 -1.11 118.70 120.50 1cee s GLU 156 Ca 0.20 -1.66 -0.28 0.00 0.36 0.00 0.00 54.97 53.59 1cee s GLU 156 Cb 0.06 -1.13 0.10 0.00 0.26 0.00 0.00 34.13 33.41 1cee s GLU 156 CO 0.00 0.13 0.85 0.00 -0.54 0.00 0.00 175.26 175.71 1cee s SER 158 N -0.57 0.75 0.34 0.00 0.15 -1.22 -4.28 113.70 108.86 1cee s SER 158 Ca -0.03 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 56.74 1cee s SER 158 Cb -0.02 -0.23 0.31 0.00 -1.71 0.00 0.00 66.02 64.36 1cee s SER 158 CO 0.02 0.01 1.47 0.00 1.20 0.00 0.00 173.24 175.94 1cee h ALA 159 N 6.59 0.86 0.00 5.45 0.00 -1.88 0.47 119.26 130.75 1cee h ALA 159 Ca -0.34 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 1cee h ALA 159 Cb 1.17 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1cee h ALA 159 CO 0.49 0.00 -2.05 -0.11 0.00 0.00 0.00 179.25 177.58 1cee n LEU 160 N -2.86 0.59 -0.03 0.00 7.94 -1.26 -4.50 117.00 116.88 1cee n LEU 160 Ca 0.03 0.21 0.01 0.00 -1.11 0.00 0.00 56.01 55.14 1cee n LEU 160 Cb 0.52 0.25 -0.09 0.00 0.53 0.00 0.00 43.42 44.63 1cee n LEU 160 CO 0.35 0.47 -0.75 0.41 -1.11 0.00 0.00 177.39 176.76 1cee n THR 161 N -2.93 0.37 -1.25 1.96 -1.04 -1.25 -5.00 114.28 105.14 1cee n THR 161 Ca -0.25 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.05 61.29 1cee n THR 161 Cb 1.10 -0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 69.35 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 -2.16 -0.74 -1.63 -2.82 6.02 0.17 -4.91 117.38 111.31 1cee n GLN 162 Ca -0.10 0.77 -0.37 0.00 -0.01 0.00 0.00 57.00 57.29 1cee n GLN 162 Cb 0.58 -4.66 -0.03 0.00 1.02 0.00 0.00 30.24 27.15 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 -2.58 2.22 -1.06 -1.09 2.36 -1.25 -1.92 119.74 116.42 1cee s LYS 163 Ca 0.00 1.32 0.00 0.00 -2.55 0.00 0.00 55.97 54.74 1cee s LYS 163 Cb 0.00 -4.55 0.00 0.00 -1.05 0.00 0.00 37.83 32.23 1cee s LYS 163 CO 0.00 -3.15 0.00 0.41 1.55 0.00 0.00 175.35 174.16 1cee n GLY 164 N 5.95 1.04 0.51 5.54 0.00 -1.26 -3.46 105.19 113.50 1cee n GLY 164 Ca 0.34 -0.14 0.33 0.00 0.00 0.00 0.00 46.02 46.55 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 0.07 0.00 0.99 5.85 -1.56 -1.79 115.31 118.87 1cee h LEU 165 Ca -0.20 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.38 1cee h LEU 165 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1cee h LEU 165 CO 0.30 0.01 -0.88 0.50 -0.34 0.00 0.00 178.44 178.03 1cee h LYS 166 N 0.06 0.00 -1.56 1.25 3.64 -1.88 -3.37 116.57 114.71 1cee h LYS 166 Ca 0.55 0.00 0.45 0.00 -1.27 0.00 0.00 60.65 60.39 1cee h LYS 166 Cb 2.09 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.85 1cee h LYS 166 CO -0.05 0.88 1.17 -0.91 -2.27 0.00 0.00 179.45 178.27 1cee h ASN 167 N -1.00 0.00 -0.10 4.20 -0.26 -1.68 0.21 115.58 116.96 1cee h ASN 167 Ca -0.23 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.46 1cee h ASN 167 Cb 1.13 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1cee h ASN 167 CO -0.14 0.00 -0.11 0.58 -1.06 0.00 0.00 177.43 176.70 1cee h VAL 168 N 0.00 1.36 -0.11 2.81 2.07 -1.63 -2.97 116.25 117.79 1cee h VAL 168 Ca 0.74 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1cee h VAL 168 Cb 3.08 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.83 1cee h VAL 168 CO -0.01 0.36 -0.45 -0.26 0.02 0.00 0.00 177.57 177.24 1cee h PHE 169 N -0.16 0.30 -0.04 1.57 0.04 -0.79 -2.67 116.94 115.19 1cee h PHE 169 Ca 0.01 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.72 1cee h PHE 169 Cb 0.63 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1cee h PHE 169 CO 0.09 0.66 -0.14 0.22 -0.60 0.00 0.00 178.31 178.54 1cee h ASP 170 N 0.21 -0.41 -0.08 2.17 3.58 -1.28 -2.51 116.42 118.09 1cee h ASP 170 Ca 0.01 0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 1cee h ASP 170 Cb 0.88 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1cee h ASP 170 CO 0.07 -0.19 -0.41 -0.33 -2.88 0.00 0.00 179.24 175.50 1cee h GLU 171 N -0.21 0.61 -0.03 0.28 4.39 -1.50 -1.70 114.58 116.42 1cee h GLU 171 Ca 0.06 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.48 1cee h GLU 171 Cb 0.30 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1cee h GLU 171 CO -0.16 0.91 -0.43 0.00 -1.16 0.00 0.00 179.01 178.17 1cee h ALA 172 N 1.05 -0.67 0.17 3.43 0.00 -1.13 1.73 119.26 123.84 1cee h ALA 172 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cee h ALA 172 Cb 0.92 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1cee h ALA 172 CO 0.08 -0.96 -0.20 0.82 0.00 0.00 0.00 179.25 178.99 1cee h ILE 173 N -0.56 0.56 -0.32 0.00 2.04 -1.47 0.57 117.51 118.32 1cee h ILE 173 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1cee h ILE 173 Cb 0.65 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1cee h ILE 173 CO -0.34 0.00 -0.46 0.25 0.00 0.00 0.00 178.15 177.61 1cee h LEU 174 N -0.41 -1.52 -0.09 1.44 6.46 -0.59 -0.89 115.31 119.70 1cee h LEU 174 Ca 0.01 0.20 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1cee h LEU 174 Cb 0.40 0.62 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1cee h LEU 174 CO -0.07 -0.33 -0.19 0.00 -0.62 0.00 0.00 178.44 177.22 1cee h ALA 175 N -0.29 -0.17 -0.75 1.25 0.00 0.28 -2.89 119.26 116.69 1cee h ALA 175 Ca 0.06 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1cee h ALA 175 Cb 0.49 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 1cee h ALA 175 CO -0.48 -0.66 -0.43 0.00 0.00 0.00 0.00 179.25 177.68 1cee h ALA 176 N 0.72 -0.18 -3.08 0.00 0.00 0.10 -3.41 119.26 113.41 1cee h ALA 176 Ca 0.09 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1cee h ALA 176 Cb 0.39 1.00 0.07 0.00 0.00 0.00 0.00 17.79 19.25 1cee h ALA 176 CO -0.24 -0.77 0.00 1.28 0.00 0.00 0.00 179.25 179.52 1cee n LEU 177 N -5.41 0.00 -3.82 0.00 4.77 -0.43 -4.75 117.00 107.36 1cee n LEU 177 Ca 0.04 -0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1cee n LEU 177 Cb 0.35 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1cee n LEU 177 CO -0.06 -1.64 0.60 -1.83 -1.33 0.00 0.00 177.39 173.12 1cee s GLU 178 N -3.85 1.69 0.00 3.23 -1.05 -1.26 -4.98 118.70 112.47 1cee s GLU 178 Ca 0.25 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 1cee s GLU 178 Cb -0.03 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1cee s GLU 178 CO 0.20 -0.78 0.30 -0.35 0.95 0.00 0.00 175.26 175.58