#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 4.14 -0.03 3.17 1.11 -1.26 -5.07 119.66 121.73 1cee s GLN 2 Ca 0.00 0.43 -0.01 0.00 0.01 0.00 0.00 55.36 55.79 1cee s GLN 2 Cb 0.00 -3.33 0.03 0.00 -1.01 0.00 0.00 33.01 28.70 1cee s GLN 2 CO 0.00 0.43 0.04 0.99 0.01 0.00 0.00 175.29 176.76 1cee s THR 3 N -0.25 -0.06 0.36 -0.19 2.01 -1.26 -2.67 115.64 113.57 1cee s THR 3 Ca 0.24 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.53 1cee s THR 3 Cb -0.16 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1cee s THR 3 CO 0.12 0.12 0.56 -0.63 -0.69 0.00 0.00 174.62 174.10 1cee s ILE 4 N 1.44 5.01 -0.57 1.82 1.09 -1.18 -4.89 121.20 123.92 1cee s ILE 4 Ca -0.04 -0.47 0.04 0.00 -1.10 0.00 0.00 60.65 59.08 1cee s ILE 4 Cb -0.13 -3.83 0.17 0.00 -1.06 0.00 0.00 42.46 37.61 1cee s ILE 4 CO -0.03 -0.54 0.42 -0.54 -0.10 0.00 0.00 174.94 174.15 1cee s LYS 5 N -4.34 1.77 -0.44 2.79 -0.14 -1.26 -1.30 119.74 116.82 1cee s LYS 5 Ca 0.41 -2.78 -0.24 0.00 -1.36 0.00 0.00 55.97 51.99 1cee s LYS 5 Cb -0.10 -2.56 0.02 0.00 -1.68 0.00 0.00 37.83 33.52 1cee s LYS 5 CO 0.36 -1.32 0.85 0.00 -0.76 0.00 0.00 175.35 174.48 1cee s VAL 7 N 3.48 2.47 -0.20 0.00 0.11 -1.25 0.01 120.40 125.02 1cee s VAL 7 Ca 0.33 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 58.24 1cee s VAL 7 Cb -0.11 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 1cee s VAL 7 CO 0.24 0.56 0.75 -0.69 -3.33 0.00 0.00 175.10 172.63 1cee s VAL 8 N -0.09 4.93 -0.06 2.04 1.01 -1.16 -1.02 120.40 126.05 1cee s VAL 8 Ca -0.04 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1cee s VAL 8 Cb -0.14 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1cee s VAL 8 CO 0.04 0.04 -0.16 0.68 0.00 0.00 0.00 175.10 175.70 1cee s VAL 9 N 2.21 2.90 0.00 2.92 -7.23 0.48 -4.08 120.40 117.59 1cee s VAL 9 Ca 0.34 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1cee s VAL 9 Cb -0.16 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1cee s VAL 9 CO 0.11 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 1cee n GLY 10 N 2.59 3.46 3.27 2.32 0.00 -1.26 -3.16 105.19 112.41 1cee n GLY 10 Ca -0.17 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1cee n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cee s ASP 11 N 0.00 5.79 0.00 1.61 1.11 -1.26 -4.67 116.67 119.25 1cee s ASP 11 Ca 0.00 -1.67 0.00 0.00 0.18 0.00 0.00 52.55 51.06 1cee s ASP 11 Cb 0.00 -2.05 0.00 0.00 1.07 0.00 0.00 42.92 41.94 1cee s ASP 11 CO 0.00 -0.65 0.00 0.61 1.18 0.00 0.00 175.17 176.31 1cee n GLY 12 N 4.99 0.48 1.24 0.21 0.00 -1.26 -4.87 105.19 105.97 1cee n GLY 12 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.89 3.00 -3.11 4.61 0.00 -1.26 -4.17 120.51 118.69 1cee n ALA 13 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1cee n ALA 13 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.13 -0.37 -3.80 0.00 0.24 -1.26 -2.11 118.33 107.89 1cee n VAL 14 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 1cee n VAL 14 Cb 0.00 -0.87 0.02 0.00 -1.47 0.00 0.00 33.84 31.52 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 -0.84 -1.05 0.00 7.63 0.00 -1.26 -4.92 105.19 104.75 1cee n GLY 15 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1cee n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cee n LYS 16 N -3.88 0.00 -0.04 1.61 5.02 -0.90 -3.17 118.16 116.81 1cee n LYS 16 Ca -0.15 0.46 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1cee n LYS 16 Cb 0.60 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1cee n LYS 16 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1cee h THR 17 N 0.00 1.31 -0.98 -0.18 2.02 -1.91 -3.10 112.91 110.07 1cee h THR 17 Ca 0.00 -1.06 0.33 0.00 0.77 0.00 0.00 66.41 66.46 1cee h THR 17 Cb 0.00 1.79 -0.16 0.00 -1.74 0.00 0.00 68.15 68.04 1cee h THR 17 CO 0.00 0.30 0.43 0.00 0.37 0.00 0.00 175.52 176.62 1cee h LEU 19 N 0.15 0.43 -1.32 0.00 6.46 -1.55 -2.90 115.31 116.59 1cee h LEU 19 Ca 0.73 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 58.16 1cee h LEU 19 Cb 1.72 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.51 1cee h LEU 19 CO -0.71 1.02 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.04 1cee h LEU 20 N 0.24 0.40 0.41 2.25 3.38 0.17 -2.02 115.31 120.15 1cee h LEU 20 Ca -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1cee h LEU 20 Cb 1.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1cee h LEU 20 CO 0.12 0.48 -0.20 0.40 0.09 0.00 0.00 178.44 179.34 1cee h ILE 21 N 0.42 0.50 0.00 1.22 1.08 -0.44 -2.88 117.51 117.41 1cee h ILE 21 Ca 0.09 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1cee h ILE 21 Cb 0.30 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1cee h ILE 21 CO 0.01 0.08 0.00 -1.20 -0.69 0.00 0.00 178.15 176.35 1cee n SER 22 N -5.21 0.58 0.15 1.72 7.64 -1.11 -0.72 113.62 116.68 1cee n SER 22 Ca -0.10 0.73 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1cee n SER 22 Cb 0.29 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.61 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1cee h TYR 23 N 0.00 -0.42 0.00 1.43 3.20 -1.15 -0.69 116.97 119.34 1cee h TYR 23 Ca 0.00 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 1cee h TYR 23 Cb 0.12 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1cee h TYR 23 CO 0.00 -0.12 -1.41 0.00 -1.64 0.00 0.00 178.16 174.99 1cee h THR 24 N -1.00 0.63 0.00 1.81 1.03 -1.46 -3.36 112.91 110.56 1cee h THR 24 Ca -0.05 -2.21 0.00 0.00 -0.01 0.00 0.00 66.41 64.15 1cee h THR 24 Cb 0.49 2.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 1cee h THR 24 CO 0.08 0.36 -1.35 0.35 -0.01 0.00 0.00 175.52 174.94 1cee n THR 25 N -2.96 0.19 -1.69 0.00 -2.24 0.10 -4.96 114.28 102.72 1cee n THR 25 Ca -0.10 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 1cee n THR 25 Cb 0.88 0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -2.17 -5.31 -3.73 3.42 5.15 -0.27 -4.96 115.26 107.39 1cee n ASN 26 Ca -0.00 0.39 -0.14 0.00 -0.60 0.00 0.00 54.58 54.23 1cee n ASN 26 Cb 0.50 -4.46 -0.14 0.00 -0.53 0.00 0.00 39.78 35.14 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 -3.83 0.12 0.17 1.20 2.36 -1.25 -4.98 119.74 113.53 1cee s LYS 27 Ca 0.00 0.45 -0.30 0.00 -2.55 0.00 0.00 55.97 53.56 1cee s LYS 27 Cb 0.00 -0.17 -0.08 0.00 -1.05 0.00 0.00 37.83 36.53 1cee s LYS 27 CO 0.00 -0.18 1.30 0.12 1.55 0.00 0.00 175.35 178.14 1cee s PHE 28 N 1.34 3.29 0.00 4.03 2.19 -1.26 -3.65 117.98 123.91 1cee s PHE 28 Ca -0.08 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.39 1cee s PHE 28 Cb -0.11 -3.58 0.00 0.00 -1.31 0.00 0.00 43.02 38.02 1cee s PHE 28 CO -0.07 -1.82 0.00 -0.35 1.83 0.00 0.00 175.22 174.81 1cee n PRO 29 N 2.91 -0.46 0.00 10.12 -0.04 -1.26 -5.03 135.00 141.24 1cee n PRO 29 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1cee n PRO 29 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1cee n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cee n SER 30 N -1.66 0.00 -4.35 3.54 2.88 -1.26 -5.12 113.62 107.65 1cee n SER 30 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1cee n SER 30 Cb 0.00 0.10 0.20 0.00 -0.75 0.00 0.00 64.21 63.76 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cee n GLU 31 N -2.07 -1.93 -3.69 -1.46 0.00 -1.26 -5.02 120.64 105.20 1cee n GLU 31 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 57.16 56.35 1cee n GLU 31 Cb 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 31.44 29.40 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1cee s TYR 32 N -2.30 0.71 -0.28 4.31 6.14 -1.26 -5.12 117.35 119.56 1cee s TYR 32 Ca 0.61 -0.63 -0.21 0.00 0.64 0.00 0.00 57.07 57.47 1cee s TYR 32 Cb -0.17 -0.90 0.13 0.00 0.42 0.00 0.00 41.96 41.44 1cee s TYR 32 CO 0.66 -0.56 0.97 0.54 0.64 0.00 0.00 175.55 177.80 1cee s VAL 33 N 1.96 0.00 0.05 3.14 0.11 -1.26 -5.13 120.40 119.27 1cee s VAL 33 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 1cee s VAL 33 Cb -0.16 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.59 1cee s VAL 33 CO -0.08 0.00 1.93 -2.65 -3.33 0.00 0.00 175.10 170.97 1cee n PRO 34 N 2.95 2.77 -0.31 1.54 -0.02 -1.26 -4.88 135.00 135.80 1cee n PRO 34 Ca -0.15 1.02 0.01 0.00 -2.02 0.00 0.00 63.50 62.35 1cee n PRO 34 Cb 0.57 -2.94 0.15 0.00 -0.02 0.00 0.00 33.50 31.25 1cee n PRO 34 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1cee h THR 35 N 5.35 1.02 0.00 3.45 2.02 -1.98 -3.45 112.91 119.33 1cee h THR 35 Ca -0.49 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1cee h THR 35 Cb 1.24 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1cee h THR 35 CO 0.94 0.17 0.00 0.52 0.37 0.00 0.00 175.52 177.52 1cee n VAL 36 N -4.64 0.00 -2.96 3.16 0.31 -1.26 -3.97 118.33 108.98 1cee n VAL 36 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.47 1cee n VAL 36 Cb 0.19 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.90 -0.15 3.52 2.19 -1.26 -2.30 117.98 119.08 1cee s PHE 37 Ca 0.00 0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.43 1cee s PHE 37 Cb 0.00 0.17 -0.00 0.00 -1.31 0.00 0.00 43.02 41.87 1cee s PHE 37 CO 0.00 -0.61 -0.16 0.34 1.83 0.00 0.00 175.22 176.62 1cee s ASP 38 N 2.00 3.57 -0.28 6.13 -1.08 -1.25 -5.02 116.67 120.74 1cee s ASP 38 Ca 0.16 -0.49 -0.08 0.00 -0.52 0.00 0.00 52.55 51.62 1cee s ASP 38 Cb -0.00 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.90 1cee s ASP 38 CO -0.13 0.09 0.11 0.21 0.52 0.00 0.00 175.17 175.97 1cee s ASN 39 N 0.78 5.34 0.17 -0.34 2.47 -1.26 -3.76 114.94 118.33 1cee s ASN 39 Ca -0.06 -0.38 0.08 0.00 0.42 0.00 0.00 52.86 52.91 1cee s ASN 39 Cb -0.15 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.65 1cee s ASN 39 CO 0.00 -0.12 -0.05 -0.31 -3.72 0.00 0.00 177.10 172.91 1cee s TYR 40 N 1.61 2.75 -0.16 0.43 1.51 -1.16 -5.02 117.35 117.30 1cee s TYR 40 Ca 0.05 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1cee s TYR 40 Cb -0.16 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1cee s TYR 40 CO 0.05 0.51 -0.14 0.00 -1.11 0.00 0.00 175.55 174.85 1cee s ALA 41 N -1.66 1.94 0.03 3.71 0.00 -1.26 -2.03 121.76 122.49 1cee s ALA 41 Ca 0.26 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1cee s ALA 41 Cb -0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1cee s ALA 41 CO 0.17 -0.46 0.06 0.08 0.00 0.00 0.00 175.76 175.61 1cee s VAL 42 N 1.45 4.53 -0.38 0.00 1.01 -0.89 -4.93 120.40 121.18 1cee s VAL 42 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1cee s VAL 42 Cb -0.13 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.23 1cee s VAL 42 CO -0.11 0.26 0.16 -0.89 0.00 0.00 0.00 175.10 174.52 1cee s THR 43 N -1.25 3.29 0.17 3.92 2.01 -1.26 0.12 115.64 122.64 1cee s THR 43 Ca 0.25 -1.83 0.07 0.00 0.31 0.00 0.00 61.69 60.49 1cee s THR 43 Cb -0.12 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1cee s THR 43 CO 0.17 -0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.86 1cee s VAL 44 N 1.19 3.64 -0.99 3.82 1.01 -1.13 -4.86 120.40 123.08 1cee s VAL 44 Ca 0.05 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 1cee s VAL 44 Cb -0.22 -2.82 0.13 0.00 0.00 0.00 0.00 36.38 33.47 1cee s VAL 44 CO -0.03 -0.10 1.22 -0.04 0.00 0.00 0.00 175.10 176.15 1cee s MET 45 N -2.89 3.68 -0.15 2.72 -1.94 -1.26 0.17 119.30 119.62 1cee s MET 45 Ca 0.27 -1.82 -0.06 0.00 -1.71 0.00 0.00 55.69 52.37 1cee s MET 45 Cb -0.09 -5.00 -0.04 0.00 2.01 0.00 0.00 34.83 31.71 1cee s MET 45 CO 0.18 -1.83 0.04 0.42 -0.01 0.00 0.00 175.02 173.82 1cee s ILE 46 N 2.79 4.59 -1.15 2.53 1.01 -0.14 -4.40 121.20 126.42 1cee s ILE 46 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1cee s ILE 46 Cb -0.04 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1cee s ILE 46 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1cee n GLY 47 N 3.11 1.17 0.96 6.18 0.00 -1.26 -2.03 105.19 113.32 1cee n GLY 47 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.95 3.28 -0.02 0.00 -1.26 -5.04 105.19 102.02 1cee n GLY 48 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.68 1.11 0.05 1.61 2.02 -0.86 -5.08 118.70 116.88 1cee s GLU 49 Ca 0.00 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 1cee s GLU 49 Cb 0.00 -1.36 -0.08 0.00 0.10 0.00 0.00 34.13 32.79 1cee s GLU 49 CO 0.00 0.32 1.72 -1.25 0.02 0.00 0.00 175.26 176.07 1cee s PRO 50 N -1.87 4.18 0.29 0.39 0.04 -1.26 -0.97 135.00 135.80 1cee s PRO 50 Ca 0.06 2.38 0.03 0.00 0.04 0.00 0.00 61.00 63.50 1cee s PRO 50 Cb -0.10 -3.75 0.03 0.00 0.04 0.00 0.00 34.50 30.72 1cee s PRO 50 CO 0.04 -0.80 0.23 0.66 0.04 0.00 0.00 177.00 177.17 1cee n TYR 51 N 6.17 -1.18 -3.67 0.56 4.02 0.44 -4.88 117.16 118.62 1cee n TYR 51 Ca 0.17 -1.20 -0.30 0.00 -0.01 0.00 0.00 57.90 56.56 1cee n TYR 51 Cb 0.41 -0.24 -0.15 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.37 0.58 -0.01 -0.72 2.01 -1.09 -2.86 115.64 112.19 1cee s THR 52 Ca 0.18 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.69 1cee s THR 52 Cb -0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1cee s THR 52 CO 0.11 -0.68 1.42 -0.22 -0.69 0.00 0.00 174.62 174.56 1cee s LEU 53 N 1.77 4.31 -0.73 4.42 0.20 0.33 -3.09 118.68 125.90 1cee s LEU 53 Ca 0.09 2.11 -0.20 0.00 0.69 0.00 0.00 54.13 56.82 1cee s LEU 53 Cb -0.17 -3.56 0.10 0.00 -0.43 0.00 0.00 46.19 42.14 1cee s LEU 53 CO -0.29 -0.74 0.93 -0.83 -0.29 0.00 0.00 176.35 175.14 1cee s GLY 54 N 2.01 1.69 -0.08 7.98 0.00 -0.42 -2.10 107.32 116.40 1cee s GLY 54 Ca 0.64 -2.27 -0.24 0.00 0.00 0.00 0.00 44.72 42.85 1cee s GLY 54 CO 0.26 1.88 0.75 1.08 0.00 0.00 0.00 173.10 177.07 1cee s LEU 55 N 3.14 4.29 -0.02 0.66 2.01 -0.86 -0.80 118.68 127.10 1cee s LEU 55 Ca 0.22 1.21 0.04 0.00 0.01 0.00 0.00 54.13 55.61 1cee s LEU 55 Cb -0.15 -3.15 -0.01 0.00 0.01 0.00 0.00 46.19 42.89 1cee s LEU 55 CO 0.03 -0.19 -0.13 -0.36 1.01 0.00 0.00 176.35 176.71 1cee s PHE 56 N 1.11 1.17 -0.10 0.29 0.40 0.10 -2.99 117.98 117.97 1cee s PHE 56 Ca 0.39 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1cee s PHE 56 Cb -0.18 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1cee s PHE 56 CO 0.18 -0.05 -0.07 0.34 0.70 0.00 0.00 175.22 176.31 1cee s ASP 57 N -0.18 2.00 0.30 1.36 2.15 -1.25 -2.98 116.67 118.07 1cee s ASP 57 Ca 0.03 -0.27 -0.04 0.00 0.43 0.00 0.00 52.55 52.69 1cee s ASP 57 Cb -0.06 -0.78 -0.05 0.00 -0.30 0.00 0.00 42.92 41.73 1cee s ASP 57 CO -0.00 -0.10 0.55 0.42 -0.17 0.00 0.00 175.17 175.87 1cee s THR 58 N 1.53 5.04 -0.03 1.71 -4.23 -1.26 -4.03 115.64 114.37 1cee s THR 58 Ca 0.01 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1cee s THR 58 Cb -0.13 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1cee s THR 58 CO -0.06 -0.35 0.34 0.00 -0.54 0.00 0.00 174.62 174.01 1cee h ALA 59 N 1.56 -0.31 0.00 3.99 0.00 -1.79 -3.45 119.26 119.26 1cee h ALA 59 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cee h ALA 59 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cee h ALA 59 CO 0.66 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1cee n GLY 60 N 1.04 -0.66 2.41 0.00 0.00 -1.26 -4.83 105.19 101.89 1cee n GLY 60 Ca -0.02 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 1cee n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cee n GLN 61 N 0.00 -1.04 0.00 1.61 6.02 -1.26 -3.07 117.38 119.64 1cee n GLN 61 Ca 0.00 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 57.97 1cee n GLN 61 Cb 0.00 -5.13 0.00 0.00 1.02 0.00 0.00 30.24 26.13 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1cee n GLU 62 N -2.56 0.00 -0.31 -1.09 4.07 -1.26 -4.38 120.64 115.12 1cee n GLU 62 Ca -0.15 0.00 0.35 0.00 -0.06 0.00 0.00 57.16 57.30 1cee n GLU 62 Cb 0.50 0.00 0.72 0.00 -0.06 0.00 0.00 31.44 32.60 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1cee h ASP 63 N 0.00 0.00 -0.64 4.31 3.32 -2.02 1.18 116.42 122.57 1cee h ASP 63 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1cee h ASP 63 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1cee h ASP 63 CO 0.00 0.00 0.10 -1.22 -1.72 0.00 0.00 179.24 176.40 1cee n TYR 64 N -3.93 2.25 0.24 4.55 4.02 -1.17 -4.36 117.16 118.75 1cee n TYR 64 Ca 0.26 -0.90 0.12 0.00 -0.01 0.00 0.00 57.90 57.37 1cee n TYR 64 Cb 1.32 -0.58 0.50 0.00 -0.02 0.00 0.00 39.34 40.56 1cee n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1cee h ASP 65 N 3.57 0.00 -0.05 7.72 3.04 0.12 -2.16 116.42 128.66 1cee h ASP 65 Ca 0.10 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1cee h ASP 65 Cb 2.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.42 1cee h ASP 65 CO 0.59 0.16 0.01 0.03 -2.04 0.00 0.00 179.24 177.99 1cee h ARG 66 N 0.00 0.08 -0.53 4.15 2.47 -1.77 -3.13 114.38 115.65 1cee h ARG 66 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 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 0.02 0.29 0.00 1.47 0.56 0.00 0.00 179.97 182.31 1cee n LEU 67 N -4.93 5.10 -0.06 3.04 -0.00 -1.21 -4.57 117.00 114.37 1cee n LEU 67 Ca -0.07 -2.80 -0.07 0.00 -0.00 0.00 0.00 56.01 53.07 1cee n LEU 67 Cb 0.14 -0.62 -0.06 0.00 -0.00 0.00 0.00 43.42 42.88 1cee n LEU 67 CO 0.34 0.69 0.20 -0.09 -0.00 0.00 0.00 177.39 178.52 1cee h ARG 68 N 3.57 -0.00 0.00 1.47 2.43 -1.32 -3.33 114.38 117.19 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 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1cee h ARG 68 CO 0.37 0.50 0.00 -0.35 -1.51 0.00 0.00 179.97 178.97 1cee n PRO 69 N -4.70 0.12 0.10 0.20 -0.04 -1.26 -3.13 135.00 126.29 1cee n PRO 69 Ca -0.05 0.22 0.20 0.00 -0.04 0.00 0.00 63.50 63.83 1cee n PRO 69 Cb 0.24 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 32.94 1cee n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cee h LEU 70 N 0.00 0.00 -2.74 1.53 3.38 -1.85 0.82 115.31 116.45 1cee h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cee h LEU 70 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cee h LEU 70 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1cee n SER 71 N -3.64 4.01 -0.03 -0.43 3.41 -1.18 -4.41 113.62 111.35 1cee n SER 71 Ca 0.07 -2.05 -0.20 0.00 -0.26 0.00 0.00 58.87 56.43 1cee n SER 71 Cb 0.62 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.94 1cee n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1cee h TYR 72 N 4.26 0.24 -1.13 7.33 -1.99 0.44 -3.36 116.97 122.76 1cee h TYR 72 Ca 0.00 -0.18 0.37 0.00 2.00 0.00 0.00 58.73 60.92 1cee h TYR 72 Cb 1.03 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 39.61 1cee h TYR 72 CO 0.52 1.41 0.69 -1.35 -0.00 0.00 0.00 178.16 179.43 1cee h PRO 73 N -0.63 0.19 -2.61 4.88 0.11 -1.77 -2.13 132.00 130.05 1cee h PRO 73 Ca -0.24 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.18 1cee h PRO 73 Cb 1.48 -0.04 -0.37 0.00 0.11 0.00 0.00 31.00 32.18 1cee h PRO 73 CO -0.02 0.13 -0.10 1.04 -0.21 0.00 0.00 178.00 178.84 1cee n GLN 74 N -4.89 3.12 -4.14 1.05 1.13 -1.26 -5.03 117.38 107.36 1cee n GLN 74 Ca 0.34 -4.61 -0.12 0.00 -1.94 0.00 0.00 57.00 50.67 1cee n GLN 74 Cb 1.18 -2.36 -0.11 0.00 0.11 0.00 0.00 30.24 29.07 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1cee s THR 75 N -2.39 0.72 0.05 5.09 2.01 -0.80 -4.87 115.64 115.45 1cee s THR 75 Ca 0.35 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.74 1cee s THR 75 Cb 0.08 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.30 1cee s THR 75 CO 0.00 -0.64 -0.00 0.47 -0.69 0.00 0.00 174.62 173.75 1cee n ASP 76 N 0.55 0.59 -4.96 3.53 8.00 -1.03 -4.95 116.55 118.28 1cee n ASP 76 Ca -0.16 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1cee n ASP 76 Cb 0.58 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.53 2.20 -0.03 2.53 0.11 -1.17 -2.70 120.40 119.81 1cee s VAL 77 Ca -0.00 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1cee s VAL 77 Cb 0.00 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1cee s VAL 77 CO 0.00 0.00 0.05 -0.36 -3.33 0.00 0.00 175.10 171.46 1cee s PHE 78 N -2.62 -0.01 -0.60 1.54 0.40 -1.05 -3.88 117.98 111.76 1cee s PHE 78 Ca 0.49 0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.86 1cee s PHE 78 Cb -0.05 -0.20 0.15 0.00 0.51 0.00 0.00 43.02 43.44 1cee s PHE 78 CO 0.30 -0.10 0.56 -0.51 0.70 0.00 0.00 175.22 176.17 1cee s LEU 79 N 1.03 6.30 -1.05 -0.37 1.43 -0.19 0.18 118.68 126.01 1cee s LEU 79 Ca -0.08 -2.01 -0.17 0.00 -1.03 0.00 0.00 54.13 50.84 1cee s LEU 79 Cb -0.12 -2.20 0.14 0.00 0.03 0.00 0.00 46.19 44.04 1cee s LEU 79 CO -0.03 -0.79 1.26 -0.69 0.23 0.00 0.00 176.35 176.33 1cee s VAL 80 N 1.25 4.83 -0.43 -1.59 1.01 -0.61 -0.39 120.40 124.47 1cee s VAL 80 Ca 0.07 -1.99 -0.24 0.00 0.00 0.00 0.00 61.98 59.81 1cee s VAL 80 Cb -0.25 -4.84 0.02 0.00 0.00 0.00 0.00 36.38 31.31 1cee s VAL 80 CO 0.00 -1.57 0.85 0.00 0.00 0.00 0.00 175.10 174.38 1cee s PHE 82 N 3.43 2.18 -0.02 0.00 -0.71 -0.75 -4.83 117.98 117.29 1cee s PHE 82 Ca 0.33 -0.78 -0.35 0.00 -1.04 0.00 0.00 56.93 55.10 1cee s PHE 82 Cb -0.12 -1.47 -0.13 0.00 -1.21 0.00 0.00 43.02 40.09 1cee s PHE 82 CO 0.22 -0.30 1.71 0.43 -1.34 0.00 0.00 175.22 175.95 1cee n SER 83 N 3.35 3.00 0.04 1.98 7.64 -1.26 -2.34 113.62 126.04 1cee n SER 83 Ca -0.19 1.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.70 1cee n SER 83 Cb 0.53 -1.34 0.21 0.00 -1.01 0.00 0.00 64.21 62.60 1cee n SER 83 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cee h VAL 84 N 4.65 1.27 -0.62 0.44 2.07 -1.14 -2.98 116.25 119.95 1cee h VAL 84 Ca -0.47 -1.32 -0.36 0.00 0.82 0.00 0.00 66.70 65.37 1cee h VAL 84 Cb 1.28 1.44 -0.19 0.00 -1.52 0.00 0.00 31.29 32.30 1cee h VAL 84 CO 0.91 0.41 0.47 1.33 0.02 0.00 0.00 177.57 180.71 1cee n VAL 85 N -4.10 2.64 -3.10 2.57 0.24 -1.26 0.16 118.33 115.48 1cee n VAL 85 Ca -0.01 -1.54 -0.17 0.00 -2.04 0.00 0.00 64.34 60.59 1cee n VAL 85 Cb 0.42 -0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 1cee n VAL 85 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1cee n SER 86 N -0.30 -1.74 -0.24 -1.34 7.64 -1.13 -4.78 113.62 111.74 1cee n SER 86 Ca 0.38 -2.65 0.32 0.00 1.01 0.00 0.00 58.87 57.93 1cee n SER 86 Cb 0.96 0.47 0.70 0.00 -1.01 0.00 0.00 64.21 65.33 1cee n SER 86 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1cee h PRO 87 N 5.20 0.00 -0.52 1.43 0.11 -1.80 0.15 132.00 136.57 1cee h PRO 87 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1cee h PRO 87 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1cee h PRO 87 CO 0.23 0.00 0.25 0.77 -0.21 0.00 0.00 178.00 179.04 1cee h SER 88 N 0.00 0.67 -0.31 -2.05 0.02 -1.94 0.56 113.55 110.51 1cee h SER 88 Ca 0.50 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 1cee h SER 88 Cb 2.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 1cee h SER 88 CO -0.01 0.61 -0.01 0.77 -1.14 0.00 0.00 176.83 177.06 1cee h SER 89 N 0.69 0.54 -0.60 3.07 4.64 -1.04 -2.59 113.55 118.26 1cee h SER 89 Ca 0.18 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1cee h SER 89 Cb 0.11 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1cee h SER 89 CO -0.02 0.73 0.39 0.15 -0.87 0.00 0.00 176.83 177.21 1cee h PHE 90 N 0.34 0.76 -0.22 4.77 3.04 -1.20 0.62 116.94 125.06 1cee h PHE 90 Ca 0.09 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.11 1cee h PHE 90 Cb 0.45 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1cee h PHE 90 CO 0.04 0.48 0.18 0.93 -2.02 0.00 0.00 178.31 177.92 1cee h GLU 91 N 0.81 0.00 0.06 1.11 5.08 0.24 0.05 114.58 121.94 1cee h GLU 91 Ca 0.22 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.28 1cee h GLU 91 Cb -0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1cee h GLU 91 CO -0.05 0.00 -1.62 -0.91 -1.00 0.00 0.00 179.01 175.43 1cee h ASN 92 N 0.00 0.21 -0.76 1.42 2.35 -0.67 -3.12 115.58 115.00 1cee h ASN 92 Ca 0.10 -0.35 0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1cee h ASN 92 Cb 0.45 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 1cee h ASN 92 CO -0.00 1.31 0.40 0.58 -1.65 0.00 0.00 177.43 178.07 1cee h VAL 93 N 0.04 0.86 0.00 2.81 2.07 0.21 1.72 116.25 123.95 1cee h VAL 93 Ca -0.26 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1cee h VAL 93 Cb 1.99 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1cee h VAL 93 CO 0.12 0.12 -0.10 0.07 0.02 0.00 0.00 177.57 177.80 1cee h LYS 94 N 0.67 0.00 -1.58 1.57 2.10 -1.41 -3.14 116.57 114.78 1cee h LYS 94 Ca 0.37 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.55 1cee h LYS 94 Cb 0.38 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.37 1cee h LYS 94 CO -0.27 0.10 -0.99 0.39 -2.00 0.00 0.00 179.45 176.68 1cee n GLU 95 N -3.16 0.79 0.00 0.07 -0.58 0.80 -4.82 120.64 113.74 1cee n GLU 95 Ca 0.02 -2.95 0.00 0.00 -0.42 0.00 0.00 57.16 53.81 1cee n GLU 95 Cb 0.48 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 1.17 0.00 0.02 3.49 0.00 0.55 -4.60 118.16 118.78 1cee n LYS 96 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.37 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 -0.08 0.42 5.64 4.06 -1.36 -3.10 115.95 121.54 1cee h TRP 97 Ca 0.00 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1cee h TRP 97 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1cee h TRP 97 CO 0.00 0.39 -0.20 0.28 -3.56 0.00 0.00 178.44 175.35 1cee h VAL 98 N -0.60 0.00 -1.29 1.49 2.07 -1.80 -3.29 116.25 112.84 1cee h VAL 98 Ca -0.01 -0.57 0.41 0.00 0.82 0.00 0.00 66.70 67.35 1cee h VAL 98 Cb 0.51 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.16 1cee h VAL 98 CO 0.01 0.00 0.83 1.55 0.02 0.00 0.00 177.57 179.99 1cee h PRO 99 N -1.14 0.13 -0.17 1.57 0.13 -1.86 1.13 132.00 131.78 1cee h PRO 99 Ca -0.06 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1cee h PRO 99 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1cee h PRO 99 CO 0.10 0.08 0.01 0.93 -0.23 0.00 0.00 178.00 178.89 1cee h GLU 100 N 0.13 0.24 0.18 0.86 3.07 -1.60 -2.69 114.58 114.76 1cee h GLU 100 Ca 0.78 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 59.27 1cee h GLU 100 Cb 2.42 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 30.29 1cee h GLU 100 CO -0.38 0.26 -1.69 0.82 -1.40 0.00 0.00 179.01 176.62 1cee h ILE 101 N 0.24 0.96 -0.76 3.13 2.04 0.12 -3.34 117.51 119.89 1cee h ILE 101 Ca 0.06 -2.49 0.18 0.00 1.00 0.00 0.00 64.86 63.61 1cee h ILE 101 Cb 0.16 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 1cee h ILE 101 CO 0.00 0.83 0.52 0.71 0.00 0.00 0.00 178.15 180.22 1cee h THR 102 N 0.03 0.70 -0.22 -0.27 1.35 -1.01 0.64 112.91 114.14 1cee h THR 102 Ca -0.34 -0.08 -0.08 0.00 -0.55 0.00 0.00 66.41 65.36 1cee h THR 102 Cb 2.04 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1cee h THR 102 CO 0.16 0.04 -0.23 0.45 -0.25 0.00 0.00 175.52 175.70 1cee h HIS 103 N 0.23 0.44 0.10 4.73 3.86 -1.61 -2.36 115.15 120.54 1cee h HIS 103 Ca 0.38 -0.08 -0.34 0.00 -1.16 0.00 0.00 60.37 59.16 1cee h HIS 103 Cb 1.13 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 1cee h HIS 103 CO -0.00 0.60 -1.88 0.45 0.86 0.00 0.00 177.93 177.96 1cee h HIS 104 N 0.36 0.39 -0.88 2.45 -0.00 -0.80 -3.46 115.15 113.21 1cee h HIS 104 Ca 0.06 -0.28 -0.00 0.00 -0.00 0.00 0.00 60.37 60.14 1cee h HIS 104 Cb 0.60 -0.02 -0.19 0.00 -0.00 0.00 0.00 27.41 27.80 1cee h HIS 104 CO 0.02 1.57 -0.37 0.00 -0.00 0.00 0.00 177.93 179.14 1cee n PRO 106 N 4.67 0.93 -0.04 0.00 -0.04 -0.89 -3.35 135.00 136.27 1cee n PRO 106 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1cee n PRO 106 Cb 0.57 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.76 2.30 -1.63 0.54 0.00 -1.26 -5.00 118.16 112.35 1cee n LYS 107 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 1cee n LYS 107 Cb 0.05 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 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 -2.38 2.30 -1.66 0.58 -2.24 -1.21 -4.90 114.28 104.76 1cee n THR 108 Ca -0.15 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 1cee n THR 108 Cb 0.77 -1.25 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1cee n THR 108 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cee n PRO 109 N 0.31 1.45 -3.86 -0.78 -0.04 -1.10 -4.95 135.00 126.04 1cee n PRO 109 Ca 0.08 0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 1cee n PRO 109 Cb 0.37 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 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 -1.32 2.11 -0.29 0.54 0.08 -1.26 -2.52 117.98 115.32 1cee s PHE 110 Ca 0.68 -1.70 -0.24 0.00 0.12 0.00 0.00 56.93 55.79 1cee s PHE 110 Cb -0.48 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1cee s PHE 110 CO 0.53 -0.78 0.81 -1.17 -0.10 0.00 0.00 175.22 174.50 1cee s LEU 111 N 1.49 4.07 -0.35 -0.37 1.98 0.13 -1.14 118.68 124.48 1cee s LEU 111 Ca 0.00 0.80 -0.19 0.00 -2.89 0.00 0.00 54.13 51.85 1cee s LEU 111 Cb -0.18 -3.12 -0.00 0.00 0.66 0.00 0.00 46.19 43.55 1cee s LEU 111 CO -0.11 -0.59 0.56 -0.22 -1.89 0.00 0.00 176.35 174.10 1cee s LEU 112 N 2.94 4.31 -0.03 -0.68 2.96 -0.82 -1.58 118.68 125.79 1cee s LEU 112 Ca 0.33 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1cee s LEU 112 Cb -0.14 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1cee s LEU 112 CO 0.11 -0.52 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.79 1cee s VAL 113 N 2.51 3.14 -0.28 1.68 1.01 -0.45 0.52 120.40 128.53 1cee s VAL 113 Ca 0.21 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1cee s VAL 113 Cb -0.15 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.03 1cee s VAL 113 CO 0.14 0.52 -0.06 -0.83 0.00 0.00 0.00 175.10 174.87 1cee s GLY 114 N -0.95 1.67 0.56 4.51 0.00 0.20 -1.81 107.32 111.50 1cee s GLY 114 Ca 0.13 -1.90 0.07 0.00 0.00 0.00 0.00 44.72 43.02 1cee s GLY 114 CO 0.02 0.74 0.77 -1.59 0.00 0.00 0.00 173.10 173.04 1cee s THR 115 N 1.10 2.39 -0.13 0.90 2.01 -0.99 -1.20 115.64 119.72 1cee s THR 115 Ca -0.04 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1cee s THR 115 Cb -0.20 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.84 1cee s THR 115 CO -0.06 0.00 0.11 1.67 -0.69 0.00 0.00 174.62 175.65 1cee n GLN 116 N -2.25 -0.72 0.09 4.92 -0.06 -1.26 -0.70 117.38 117.40 1cee n GLN 116 Ca 0.13 0.09 -0.23 0.00 -2.00 0.00 0.00 57.00 54.99 1cee n GLN 116 Cb 0.61 -2.85 -0.15 0.00 -4.06 0.00 0.00 30.24 23.78 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1cee h ILE 117 N -0.21 1.05 -0.75 1.69 2.04 -1.85 -3.24 117.51 116.23 1cee h ILE 117 Ca -0.06 -2.59 0.22 0.00 1.00 0.00 0.00 64.86 63.43 1cee h ILE 117 Cb 1.04 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 1cee h ILE 117 CO 0.05 0.84 0.74 -2.24 0.00 0.00 0.00 178.15 177.55 1cee h ASP 118 N 0.12 0.00 0.11 1.72 2.03 -1.96 0.55 116.42 118.98 1cee h ASP 118 Ca -0.31 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 55.77 1cee h ASP 118 Cb 2.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.62 1cee h ASP 118 CO 0.20 0.00 -1.08 -0.07 -1.03 0.00 0.00 179.24 177.27 1cee h LEU 119 N 0.00 0.35 -2.07 0.15 4.07 -1.92 -3.02 115.31 112.88 1cee h LEU 119 Ca 0.36 -0.88 0.10 0.00 0.08 0.00 0.00 57.88 57.54 1cee h LEU 119 Cb 1.83 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.44 1cee h LEU 119 CO -0.00 1.48 0.35 -0.09 -1.08 0.00 0.00 178.44 179.10 1cee h ARG 120 N -0.43 0.00 -0.52 1.13 1.12 0.01 0.69 114.38 116.38 1cee h ARG 120 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1cee h ARG 120 Cb 1.63 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.59 1cee h ARG 120 CO 0.07 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.68 1cee n ASP 121 N -3.82 3.78 -4.14 -3.80 8.00 -0.31 -4.83 116.55 111.43 1cee n ASP 121 Ca 0.05 -2.22 -0.38 0.00 0.71 0.00 0.00 54.79 52.95 1cee n ASP 121 Cb 0.51 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1cee s ASP 122 N -1.08 5.43 0.57 -2.24 -1.08 0.24 -4.94 116.67 113.57 1cee s ASP 122 Ca 0.39 -2.53 0.35 0.00 -0.52 0.00 0.00 52.55 50.24 1cee s ASP 122 Cb 0.23 -1.90 1.45 0.00 -1.46 0.00 0.00 42.92 41.24 1cee s ASP 122 CO 0.22 -0.47 1.70 -0.65 0.52 0.00 0.00 175.17 176.49 1cee h PRO 123 N 7.51 0.00 -0.12 4.34 0.11 -1.88 0.66 132.00 142.62 1cee h PRO 123 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1cee h PRO 123 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1cee h PRO 123 CO 0.73 0.00 -0.04 1.03 -0.21 0.00 0.00 178.00 179.51 1cee h SER 124 N 0.00 0.16 0.02 -2.05 0.87 -1.92 0.45 113.55 111.08 1cee h SER 124 Ca 0.53 -0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.69 1cee h SER 124 Cb 2.36 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 64.22 1cee h SER 124 CO -0.01 0.23 -2.13 0.35 -0.53 0.00 0.00 176.83 174.74 1cee n THR 125 N -4.39 1.57 -0.14 2.23 -2.24 0.21 -2.99 114.28 108.53 1cee n THR 125 Ca -0.01 -0.40 0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1cee n THR 125 Cb 0.18 -1.78 0.42 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.55 0.95 0.00 2.28 2.04 -1.07 0.10 117.51 121.26 1cee h ILE 126 Ca -0.54 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 64.98 1cee h ILE 126 Cb 1.69 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1cee h ILE 126 CO -0.20 0.11 -0.76 -0.33 0.00 0.00 0.00 178.15 176.97 1cee h GLU 127 N 0.59 0.00 -0.31 2.37 5.08 -0.28 -0.74 114.58 121.29 1cee h GLU 127 Ca 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1cee h GLU 127 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1cee h GLU 127 CO -0.10 0.57 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.22 1cee h LYS 128 N 0.00 0.57 0.00 2.33 3.64 -0.74 -3.20 116.57 119.16 1cee h LYS 128 Ca -0.03 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1cee h LYS 128 Cb 1.50 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 1cee h LYS 128 CO 0.08 0.73 -1.30 1.47 -2.27 0.00 0.00 179.45 178.15 1cee n LEU 129 N -4.52 0.80 0.09 5.20 -0.00 -0.52 -3.75 117.00 114.29 1cee n LEU 129 Ca -0.03 0.33 0.19 0.00 -0.00 0.00 0.00 56.01 56.51 1cee n LEU 129 Cb 0.29 0.03 0.61 0.00 -0.00 0.00 0.00 43.42 44.35 1cee n LEU 129 CO 0.40 0.01 1.17 0.00 -0.00 0.00 0.00 177.39 178.97 1cee h ALA 130 N 1.67 2.17 0.00 1.47 0.00 -1.12 1.18 119.26 124.63 1cee h ALA 130 Ca -0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 130 Cb 1.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1cee h ALA 130 CO 0.03 -0.90 -2.00 1.63 0.00 0.00 0.00 179.25 178.00 1cee n LYS 131 N -3.31 0.68 0.00 0.00 4.01 -1.24 -4.29 118.16 114.01 1cee n LYS 131 Ca 0.09 -0.15 0.12 0.00 -0.51 0.00 0.00 58.31 57.86 1cee n LYS 131 Cb 0.84 -1.48 0.26 0.00 -0.51 0.00 0.00 35.03 34.14 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1cee n ASN 132 N -2.30 0.74 0.00 4.39 3.02 0.34 -4.95 115.26 116.49 1cee n ASN 132 Ca -0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1cee n ASN 132 Cb 0.65 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.18 0.00 -4.05 3.52 4.76 0.24 -5.05 118.16 116.40 1cee n LYS 133 Ca 0.08 0.24 -0.33 0.00 -2.87 0.00 0.00 58.31 55.42 1cee n LYS 133 Cb 0.34 -1.94 -0.07 0.00 -1.84 0.00 0.00 35.03 31.52 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1cee s GLN 134 N -0.97 3.18 0.05 1.97 -0.21 -0.96 -5.02 119.66 117.70 1cee s GLN 134 Ca 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 1cee s GLN 134 Cb 0.00 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 1cee s GLN 134 CO 0.00 0.67 0.12 0.15 -2.12 0.00 0.00 175.29 174.11 1cee s LYS 135 N -1.67 0.64 -0.07 2.91 3.01 -1.26 -3.79 119.74 119.51 1cee s LYS 135 Ca 0.23 -0.79 -0.30 0.00 -1.01 0.00 0.00 55.97 54.10 1cee s LYS 135 Cb -0.12 0.25 -0.02 0.00 -1.01 0.00 0.00 37.83 36.93 1cee s LYS 135 CO 0.13 -0.17 1.08 -1.25 0.51 0.00 0.00 175.35 175.66 1cee s PRO 136 N -2.85 4.41 0.12 -1.68 0.04 -1.26 -4.30 135.00 129.49 1cee s PRO 136 Ca -0.03 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 1cee s PRO 136 Cb 0.00 -3.53 -0.12 0.00 0.04 0.00 0.00 34.50 30.90 1cee s PRO 136 CO -0.06 -0.33 1.76 -0.89 0.04 0.00 0.00 177.00 177.53 1cee n ILE 137 N 4.46 0.25 -1.80 0.56 2.08 0.41 -4.93 119.36 120.39 1cee n ILE 137 Ca 0.09 -0.04 -0.33 0.00 0.56 0.00 0.00 62.75 63.03 1cee n ILE 137 Cb 0.48 -1.92 0.04 0.00 -0.75 0.00 0.00 39.64 37.49 1cee n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1cee s THR 138 N 2.22 3.33 0.45 1.39 -4.23 -1.26 -4.92 115.64 112.62 1cee s THR 138 Ca 0.82 0.62 0.22 0.00 -1.18 0.00 0.00 61.69 62.16 1cee s THR 138 Cb -0.56 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.39 1cee s THR 138 CO 0.39 -0.38 2.06 1.55 -0.54 0.00 0.00 174.62 177.70 1cee h PRO 139 N 0.10 0.00 0.12 3.99 0.13 -2.00 -2.55 132.00 131.80 1cee h PRO 139 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1cee h PRO 139 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1cee h PRO 139 CO 0.55 0.13 -1.02 0.93 -0.23 0.00 0.00 178.00 178.36 1cee h GLU 140 N 0.00 0.47 -0.92 0.86 5.08 -1.98 -1.94 114.58 116.15 1cee h GLU 140 Ca -0.00 -0.67 0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1cee h GLU 140 Cb 0.29 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1cee h GLU 140 CO 0.02 1.29 0.60 1.15 -1.00 0.00 0.00 179.01 181.07 1cee h THR 141 N -0.02 1.13 -0.07 1.13 2.02 -1.87 -0.65 112.91 114.59 1cee h THR 141 Ca -0.16 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.50 1cee h THR 141 Cb 1.75 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1cee h THR 141 CO 0.19 0.20 -0.49 0.00 0.37 0.00 0.00 175.52 175.80 1cee h ALA 142 N 1.48 0.15 -0.78 6.16 0.00 -1.52 -3.18 119.26 121.56 1cee h ALA 142 Ca 0.37 -0.51 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1cee h ALA 142 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1cee h ALA 142 CO -0.12 0.33 0.51 1.49 0.00 0.00 0.00 179.25 181.47 1cee h GLU 143 N 0.00 0.61 -0.76 0.00 4.81 -0.87 -0.03 114.58 118.34 1cee h GLU 143 Ca -0.04 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1cee h GLU 143 Cb 1.15 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1cee h GLU 143 CO 0.10 0.40 0.40 -0.22 -0.73 0.00 0.00 179.01 178.96 1cee h LYS 144 N 0.63 0.65 -0.07 1.92 3.64 -1.11 0.10 116.57 122.34 1cee h LYS 144 Ca 0.37 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1cee h LYS 144 Cb 0.59 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1cee h LYS 144 CO -0.14 0.43 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.31 1cee h LEU 145 N 0.67 0.19 -1.92 5.20 3.38 -1.13 0.27 115.31 121.96 1cee h LEU 145 Ca 0.37 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 58.04 1cee h LEU 145 Cb 0.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1cee h LEU 145 CO -0.26 0.67 0.62 0.00 0.09 0.00 0.00 178.44 179.56 1cee h ALA 146 N 0.53 2.60 0.01 1.53 0.00 -0.40 1.02 119.26 124.55 1cee h ALA 146 Ca 0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1cee h ALA 146 Cb 0.62 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1cee h ALA 146 CO 0.02 -1.00 -2.08 2.89 0.00 0.00 0.00 179.25 179.07 1cee n ARG 147 N -3.97 0.67 0.12 0.00 -4.01 0.29 0.13 116.66 109.88 1cee n ARG 147 Ca 0.15 0.15 -0.02 0.00 -1.04 0.00 0.00 57.85 57.09 1cee n ARG 147 Cb 0.89 -1.65 0.10 0.00 -3.04 0.00 0.00 32.46 28.77 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1cee h ASP 148 N 0.01 0.00 -0.63 2.89 3.58 0.25 -3.04 116.42 119.47 1cee h ASP 148 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1cee h ASP 148 Cb 2.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.16 1cee h ASP 148 CO 0.05 0.69 0.00 0.18 -2.88 0.00 0.00 179.24 177.28 1cee n LEU 149 N -3.64 5.04 -1.60 2.28 4.77 0.32 -4.91 117.00 119.26 1cee n LEU 149 Ca -0.01 -2.55 -0.20 0.00 -0.03 0.00 0.00 56.01 53.22 1cee n LEU 149 Cb 0.70 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1cee n LEU 149 CO 0.43 0.75 -0.20 0.29 -1.33 0.00 0.00 177.39 177.33 1cee n LYS 150 N 0.99 -1.42 -1.66 3.23 4.76 -1.15 -4.92 118.16 117.99 1cee n LYS 150 Ca 0.26 1.20 -0.40 0.00 -2.87 0.00 0.00 58.31 56.50 1cee n LYS 150 Cb 0.98 -5.58 0.02 0.00 -1.84 0.00 0.00 35.03 28.62 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cee n ALA 151 N 1.16 0.74 0.19 7.82 0.00 0.34 -4.74 120.51 126.01 1cee n ALA 151 Ca -0.21 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1cee n ALA 151 Cb 0.67 -2.19 0.52 0.00 0.00 0.00 0.00 19.45 18.45 1cee n ALA 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cee h VAL 152 N 1.47 1.09 0.00 0.00 -1.51 -1.36 -3.43 116.25 112.52 1cee h VAL 152 Ca -0.47 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1cee h VAL 152 Cb 1.32 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1cee h VAL 152 CO 0.57 0.12 0.00 0.29 -1.23 0.00 0.00 177.57 177.32 1cee n LYS 153 N -4.41 0.00 -3.84 5.19 5.02 -1.25 -5.05 118.16 113.82 1cee n LYS 153 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 1cee n LYS 153 Cb 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.11 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cee s TYR 154 N -2.00 3.43 0.04 2.13 5.04 -1.26 -1.95 117.35 122.79 1cee s TYR 154 Ca 0.00 0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.94 1cee s TYR 154 Cb 0.00 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 1cee s TYR 154 CO 0.00 0.41 0.04 0.14 -1.34 0.00 0.00 175.55 174.81 1cee s VAL 155 N -0.11 0.16 -0.01 3.14 -7.23 0.19 -4.98 120.40 111.56 1cee s VAL 155 Ca 0.10 -1.30 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 1cee s VAL 155 Cb -0.12 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1cee s VAL 155 CO 0.00 -0.72 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.22 1cee s GLU 156 N -2.95 1.24 -0.09 4.82 2.12 -1.26 -0.63 118.70 121.94 1cee s GLU 156 Ca -0.02 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 1cee s GLU 156 Cb 0.01 -1.20 0.10 0.00 0.26 0.00 0.00 34.13 33.30 1cee s GLU 156 CO -0.06 0.33 0.85 0.00 -0.54 0.00 0.00 175.26 175.84 1cee s SER 158 N -1.38 1.01 0.00 0.00 0.15 -1.25 -3.85 113.70 108.39 1cee s SER 158 Ca -0.04 -0.64 0.25 0.00 0.70 0.00 0.00 55.95 56.23 1cee s SER 158 Cb -0.00 0.03 0.58 0.00 -1.71 0.00 0.00 66.02 64.92 1cee s SER 158 CO 0.03 -0.23 1.46 0.00 1.20 0.00 0.00 173.24 175.69 1cee n ALA 159 N 1.17 3.36 -0.06 5.45 0.00 -1.26 -1.33 120.51 127.84 1cee n ALA 159 Ca -0.21 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1cee n ALA 159 Cb 0.56 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1cee n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cee h LEU 160 N 0.75 -0.01 0.00 0.00 7.12 -1.96 -3.38 115.31 117.83 1cee h LEU 160 Ca 0.00 -0.82 0.00 0.00 0.13 0.00 0.00 57.88 57.19 1cee h LEU 160 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1cee h LEU 160 CO 0.00 0.88 -1.88 0.41 -0.13 0.00 0.00 178.44 177.72 1cee n THR 161 N -4.66 0.06 -1.38 1.05 -1.04 -1.26 -4.98 114.28 102.07 1cee n THR 161 Ca -0.09 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.35 1cee n THR 161 Cb 0.40 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.29 -0.56 -1.55 -2.82 6.02 -0.45 -4.92 117.38 110.81 1cee n GLN 162 Ca -0.03 0.71 -0.43 0.00 -0.01 0.00 0.00 57.00 57.23 1cee n GLN 162 Cb 0.56 -4.56 -0.04 0.00 1.02 0.00 0.00 30.24 27.22 1cee n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1cee n LYS 163 N -2.60 1.54 -1.55 -1.09 3.00 -1.24 -1.53 118.16 114.69 1cee n LYS 163 Ca -0.08 0.36 -0.17 0.00 -0.00 0.00 0.00 58.31 58.43 1cee n LYS 163 Cb 0.31 -3.06 -0.07 0.00 0.00 0.00 0.00 35.03 32.21 1cee n LYS 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cee n GLY 164 N 6.02 1.41 0.00 3.14 0.00 -1.26 -3.75 105.19 110.75 1cee n GLY 164 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1cee n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cee n LEU 165 N -2.16 0.00 -0.17 0.99 7.94 -0.58 -1.47 117.00 121.56 1cee n LEU 165 Ca -0.17 0.81 0.22 0.00 -1.11 0.00 0.00 56.01 55.76 1cee n LEU 165 Cb 0.55 -0.31 0.61 0.00 0.53 0.00 0.00 43.42 44.80 1cee n LEU 165 CO 0.25 -0.31 1.23 0.50 -1.11 0.00 0.00 177.39 177.95 1cee h LYS 166 N 0.00 0.21 -0.70 1.96 3.64 -1.86 -0.35 116.57 119.47 1cee h LYS 166 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1cee h LYS 166 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1cee h LYS 166 CO 0.00 0.14 0.29 -0.97 -2.27 0.00 0.00 179.45 176.63 1cee h ASN 167 N 0.21 0.95 0.13 4.20 -1.24 -1.90 -3.06 115.58 114.88 1cee h ASN 167 Ca 0.40 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.26 1cee h ASN 167 Cb 1.26 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 1cee h ASN 167 CO -0.09 0.86 -0.23 0.58 -1.29 0.00 0.00 177.43 177.26 1cee h VAL 168 N 0.99 0.50 -0.86 2.57 2.07 0.10 -2.01 116.25 119.60 1cee h VAL 168 Ca 0.23 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.93 1cee h VAL 168 Cb 0.19 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1cee h VAL 168 CO -0.02 0.00 0.57 -0.26 0.02 0.00 0.00 177.57 177.88 1cee h PHE 169 N -0.43 0.58 -0.13 1.57 0.04 -1.54 0.48 116.94 117.50 1cee h PHE 169 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1cee h PHE 169 Cb 0.44 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1cee h PHE 169 CO -0.20 0.18 0.09 -0.44 -0.60 0.00 0.00 178.31 177.34 1cee h ASP 170 N 0.46 0.07 0.51 2.17 3.32 -1.27 -1.77 116.42 119.91 1cee h ASP 170 Ca 0.44 -0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.19 1cee h ASP 170 Cb 1.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1cee h ASP 170 CO -0.17 0.05 -1.42 -0.08 -1.72 0.00 0.00 179.24 175.90 1cee h GLU 171 N 0.09 0.28 0.69 3.56 4.22 0.05 -2.98 114.58 120.48 1cee h GLU 171 Ca 0.06 -0.47 -0.03 0.00 0.08 0.00 0.00 59.36 58.99 1cee h GLU 171 Cb 0.12 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1cee h GLU 171 CO -0.01 1.17 -0.36 0.00 -2.18 0.00 0.00 179.01 177.64 1cee h ALA 172 N 0.50 -1.24 -0.47 2.92 0.00 -0.49 0.33 119.26 120.82 1cee h ALA 172 Ca -0.20 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1cee h ALA 172 Cb 2.01 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 20.13 1cee h ALA 172 CO 0.18 -1.18 -0.07 0.82 0.00 0.00 0.00 179.25 179.00 1cee h ILE 173 N -0.96 0.57 -0.75 0.00 2.04 -1.57 1.36 117.51 118.20 1cee h ILE 173 Ca -0.09 -0.01 0.22 0.00 1.00 0.00 0.00 64.86 65.97 1cee h ILE 173 Cb 0.74 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1cee h ILE 173 CO 0.14 0.01 0.54 0.25 0.00 0.00 0.00 178.15 179.08 1cee h LEU 174 N 0.04 0.01 0.09 1.44 5.85 -1.39 -1.62 115.31 119.72 1cee h LEU 174 Ca 0.23 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.62 1cee h LEU 174 Cb 0.35 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1cee h LEU 174 CO -0.45 0.00 -1.81 0.00 -0.34 0.00 0.00 178.44 175.84 1cee n ALA 175 N -2.68 0.86 -0.20 1.25 0.00 0.16 -4.32 120.51 115.57 1cee n ALA 175 Ca 0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 1cee n ALA 175 Cb 0.81 -0.64 0.06 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.09 0.40 -3.00 0.00 0.00 0.24 -3.42 119.26 113.39 1cee h ALA 176 Ca -0.41 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 176 Cb 1.84 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1cee h ALA 176 CO 0.00 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1cee n LEU 177 N -5.40 0.00 -3.56 0.00 4.77 -0.82 -4.55 117.00 107.44 1cee n LEU 177 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1cee n LEU 177 Cb 0.31 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1cee n LEU 177 CO 0.07 -0.62 0.51 -1.83 -1.33 0.00 0.00 177.39 174.19 1cee s GLU 178 N -2.70 1.27 0.00 3.23 -1.05 -1.26 -5.00 118.70 113.18 1cee s GLU 178 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1cee s GLU 178 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1cee s GLU 178 CO 0.00 -0.56 0.07 -0.35 0.95 0.00 0.00 175.26 175.36