#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 1.24 -0.05 0.03 -1.52 -1.26 -5.10 119.66 113.00 1cee s GLN 2 Ca 0.00 -0.41 -0.03 0.00 -1.95 0.00 0.00 55.36 52.97 1cee s GLN 2 Cb 0.00 0.57 0.03 0.00 -0.22 0.00 0.00 33.01 33.39 1cee s GLN 2 CO 0.00 -0.53 0.12 0.99 -0.25 0.00 0.00 175.29 175.62 1cee s THR 3 N -3.53 -0.03 -0.02 -0.19 2.01 -1.26 -1.98 115.64 110.64 1cee s THR 3 Ca 0.00 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 1cee s THR 3 Cb -0.01 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1cee s THR 3 CO -0.11 0.04 0.19 -0.63 -0.69 0.00 0.00 174.62 173.42 1cee s ILE 4 N 0.68 5.43 -0.48 1.82 1.09 -1.04 -4.92 121.20 123.78 1cee s ILE 4 Ca -0.05 -0.09 0.03 0.00 -1.10 0.00 0.00 60.65 59.44 1cee s ILE 4 Cb -0.07 -3.53 0.13 0.00 -1.06 0.00 0.00 42.46 37.93 1cee s ILE 4 CO -0.03 0.35 0.24 -1.59 -0.10 0.00 0.00 174.94 173.81 1cee s LYS 5 N -1.85 1.69 -0.05 2.79 0.00 -1.26 0.16 119.74 121.21 1cee s LYS 5 Ca 0.26 -2.34 -0.01 0.00 0.00 0.00 0.00 55.97 53.88 1cee s LYS 5 Cb -0.13 -2.95 -0.04 0.00 0.00 0.00 0.00 37.83 34.72 1cee s LYS 5 CO 0.17 -1.11 0.04 0.00 0.00 0.00 0.00 175.35 174.44 1cee s VAL 7 N -1.01 1.90 -0.42 0.00 0.11 -1.20 -2.91 120.40 116.88 1cee s VAL 7 Ca 0.17 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 58.05 1cee s VAL 7 Cb -0.12 -1.66 0.02 0.00 -1.53 0.00 0.00 36.38 33.09 1cee s VAL 7 CO 0.07 0.53 0.84 -0.69 -3.33 0.00 0.00 175.10 172.51 1cee s VAL 8 N 0.44 4.62 -0.15 2.04 1.01 -0.88 -0.85 120.40 126.63 1cee s VAL 8 Ca -0.17 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1cee s VAL 8 Cb -0.17 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1cee s VAL 8 CO 0.07 -0.64 -0.19 0.68 0.00 0.00 0.00 175.10 175.02 1cee s VAL 9 N 3.38 2.27 0.03 2.92 -7.23 0.17 -3.73 120.40 118.20 1cee s VAL 9 Ca 0.33 -0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 59.32 1cee s VAL 9 Cb -0.12 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 34.97 1cee s VAL 9 CO 0.21 0.54 0.70 -0.83 -0.31 0.00 0.00 175.10 175.41 1cee s GLY 10 N 0.88 -0.56 0.46 2.32 0.00 -1.26 -0.94 107.32 108.23 1cee s GLY 10 Ca -0.05 1.02 -0.23 0.00 0.00 0.00 0.00 44.72 45.46 1cee s GLY 10 CO -0.03 0.58 1.17 -0.35 0.00 0.00 0.00 173.10 174.48 1cee s ASP 11 N -1.94 6.13 0.71 1.64 -1.08 -1.24 -4.62 116.67 116.27 1cee s ASP 11 Ca -0.04 2.32 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 1cee s ASP 11 Cb -0.01 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1cee s ASP 11 CO -0.02 -0.95 0.00 0.61 0.52 0.00 0.00 175.17 175.33 1cee n GLY 12 N 0.45 2.50 0.25 2.66 0.00 -1.26 -4.14 105.19 105.65 1cee n GLY 12 Ca 0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 7.99 1.35 0.00 4.61 0.00 -1.26 -3.53 120.51 129.67 1cee n ALA 13 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1cee n ALA 13 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -4.17 0.00 0.00 0.00 0.24 -1.26 -2.84 118.33 110.30 1cee n VAL 14 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1cee n VAL 14 Cb 0.68 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.00 0.00 0.00 7.63 0.00 -1.26 -4.89 105.19 106.67 1cee n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.10 1.61 4.01 -1.13 -2.33 118.16 120.42 1cee n LYS 16 Ca 0.00 0.32 0.07 0.00 -0.51 0.00 0.00 58.31 58.19 1cee n LYS 16 Cb 0.00 -1.14 0.37 0.00 -0.51 0.00 0.00 35.03 33.76 1cee n LYS 16 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1cee n THR 17 N -1.14 1.38 0.50 -0.18 -1.04 -1.26 -2.99 114.28 109.55 1cee n THR 17 Ca 0.00 0.64 -0.20 0.00 -2.04 0.00 0.00 64.05 62.45 1cee n THR 17 Cb 0.00 -1.63 -0.09 0.00 -1.82 0.00 0.00 70.33 66.78 1cee n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee h LEU 19 N -1.33 0.00 -1.41 0.00 8.10 -1.51 0.17 115.31 119.33 1cee h LEU 19 Ca -0.13 0.00 0.07 0.00 0.11 0.00 0.00 57.88 57.93 1cee h LEU 19 Cb 0.97 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.15 1cee h LEU 19 CO 0.21 0.22 0.47 -0.07 -4.11 0.00 0.00 178.44 175.16 1cee h LEU 20 N 0.00 0.62 0.14 0.17 3.38 -1.48 1.31 115.31 119.46 1cee h LEU 20 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.62 1cee h LEU 20 Cb 0.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1cee h LEU 20 CO 0.03 0.40 -1.90 0.40 0.09 0.00 0.00 178.44 177.46 1cee h ILE 21 N 0.71 0.74 0.00 1.22 1.08 -0.49 -3.14 117.51 117.63 1cee h ILE 21 Ca 0.31 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1cee h ILE 21 Cb 0.30 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1cee h ILE 21 CO -0.10 0.87 0.00 -1.20 -0.69 0.00 0.00 178.15 177.03 1cee n SER 22 N -3.49 0.00 -0.11 1.72 7.64 0.52 -2.21 113.62 117.69 1cee n SER 22 Ca -0.28 0.02 -0.18 0.00 1.01 0.00 0.00 58.87 59.44 1cee n SER 22 Cb 1.06 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cee n TYR 23 N -1.31 0.27 -0.14 1.43 9.36 0.45 -2.79 117.16 124.43 1cee n TYR 23 Ca 0.10 0.12 -0.11 0.00 3.32 0.00 0.00 57.90 61.33 1cee n TYR 23 Cb 0.18 -0.81 -0.02 0.00 -0.63 0.00 0.00 39.34 38.07 1cee n TYR 23 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1cee h THR 24 N -1.00 1.27 0.00 2.97 1.35 -1.62 -3.24 112.91 112.65 1cee h THR 24 Ca -0.32 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1cee h THR 24 Cb 1.21 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1cee h THR 24 CO -0.19 0.38 -1.52 0.35 -0.25 0.00 0.00 175.52 174.28 1cee n THR 25 N -4.37 0.19 -1.36 6.82 -2.24 -0.94 -4.97 114.28 107.40 1cee n THR 25 Ca -0.01 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1cee n THR 25 Cb 0.33 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.28 -4.03 -4.13 3.42 5.15 -1.12 -5.01 115.26 107.26 1cee n ASN 26 Ca -0.02 0.21 -0.19 0.00 -0.60 0.00 0.00 54.58 53.98 1cee n ASN 26 Cb 0.53 -2.45 -0.13 0.00 -0.53 0.00 0.00 39.78 37.20 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 -2.96 0.85 0.13 1.20 2.47 -1.25 -4.95 119.74 115.24 1cee s LYS 27 Ca 0.00 -0.77 -0.28 0.00 -1.56 0.00 0.00 55.97 53.36 1cee s LYS 27 Cb 0.00 -0.83 -0.07 0.00 -1.46 0.00 0.00 37.83 35.47 1cee s LYS 27 CO 0.00 0.20 0.90 0.12 0.16 0.00 0.00 175.35 176.73 1cee s PHE 28 N -0.95 3.85 0.00 4.03 2.19 -1.26 -3.16 117.98 122.68 1cee s PHE 28 Ca -0.00 1.75 0.00 0.00 0.33 0.00 0.00 56.93 59.00 1cee s PHE 28 Cb -0.08 -2.96 0.00 0.00 -1.31 0.00 0.00 43.02 38.67 1cee s PHE 28 CO 0.01 0.31 0.00 -0.35 1.83 0.00 0.00 175.22 177.02 1cee n PRO 29 N 2.36 -1.22 0.00 10.12 -0.04 -1.26 -5.04 135.00 139.92 1cee n PRO 29 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1cee n PRO 29 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.41 0.00 -4.54 3.54 2.88 -1.26 -5.13 113.62 106.70 1cee n SER 30 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1cee n SER 30 Cb 0.00 0.27 0.23 0.00 -0.75 0.00 0.00 64.21 63.96 1cee n SER 30 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1cee s GLU 31 N -1.85 -0.51 -0.13 -1.46 2.12 -1.26 -5.04 118.70 110.57 1cee s GLU 31 Ca 0.00 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.19 1cee s GLU 31 Cb 0.00 -1.60 0.04 0.00 0.26 0.00 0.00 34.13 32.83 1cee s GLU 31 CO 0.00 -3.46 0.00 1.52 -0.54 0.00 0.00 175.26 172.78 1cee s TYR 32 N -2.56 0.95 -0.30 5.30 -0.85 -1.26 -5.10 117.35 113.54 1cee s TYR 32 Ca 0.68 -0.55 -0.16 0.00 -0.52 0.00 0.00 57.07 56.51 1cee s TYR 32 Cb -0.24 -0.96 0.17 0.00 0.38 0.00 0.00 41.96 41.31 1cee s TYR 32 CO 0.63 -0.48 1.06 0.14 -1.52 0.00 0.00 175.55 175.38 1cee s VAL 33 N 1.88 -0.23 -0.01 -3.49 -7.23 -1.26 -5.14 120.40 104.92 1cee s VAL 33 Ca 0.02 0.00 -0.34 0.00 -1.81 0.00 0.00 61.98 59.85 1cee s VAL 33 Cb -0.14 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.67 1cee s VAL 33 CO -0.07 0.00 1.76 -2.65 -0.31 0.00 0.00 175.10 173.83 1cee n PRO 34 N 4.31 2.10 0.25 4.82 -0.02 -1.26 -4.86 135.00 140.35 1cee n PRO 34 Ca -0.12 0.77 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1cee n PRO 34 Cb 0.55 -2.58 0.61 0.00 -0.02 0.00 0.00 33.50 32.06 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 4.79 1.01 0.00 3.45 2.02 -2.00 -3.45 112.91 118.72 1cee h THR 35 Ca -0.47 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1cee h THR 35 Cb 1.27 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1cee h THR 35 CO 0.92 0.07 0.00 0.55 0.37 0.00 0.00 175.52 177.43 1cee n VAL 36 N -4.40 0.00 -3.39 3.16 3.14 -1.26 -3.33 118.33 112.25 1cee n VAL 36 Ca -0.03 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.15 1cee n VAL 36 Cb 0.15 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.84 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 -0.05 -0.18 1.45 5.36 -1.26 -3.71 117.98 119.58 1cee s PHE 37 Ca 0.00 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1cee s PHE 37 Cb 0.00 -0.54 0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1cee s PHE 37 CO 0.00 -0.93 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.15 1cee s ASP 38 N 1.44 3.33 -0.30 6.13 1.01 -1.21 -5.04 116.67 122.03 1cee s ASP 38 Ca 0.16 -0.60 -0.11 0.00 0.71 0.00 0.00 52.55 52.71 1cee s ASP 38 Cb -0.17 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.21 1cee s ASP 38 CO -0.06 0.00 0.19 0.21 0.21 0.00 0.00 175.17 175.72 1cee s ASN 39 N 1.28 5.87 0.35 0.27 3.04 -1.26 -3.88 114.94 120.60 1cee s ASN 39 Ca 0.04 -0.22 0.09 0.00 0.04 0.00 0.00 52.86 52.81 1cee s ASN 39 Cb -0.13 -2.09 -0.05 0.00 -1.54 0.00 0.00 41.25 37.43 1cee s ASN 39 CO -0.10 -0.12 0.03 -0.31 -3.04 0.00 0.00 177.10 173.56 1cee s TYR 40 N 1.71 2.56 -0.09 0.43 2.02 -0.87 -5.01 117.35 118.10 1cee s TYR 40 Ca 0.06 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1cee s TYR 40 Cb -0.16 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1cee s TYR 40 CO 0.09 0.45 -0.01 0.00 -1.57 0.00 0.00 175.55 174.51 1cee s ALA 41 N -2.53 0.84 -0.10 3.71 0.00 -1.26 -1.84 121.76 120.58 1cee s ALA 41 Ca 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1cee s ALA 41 Cb 0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1cee s ALA 41 CO 0.20 -0.49 0.04 0.08 0.00 0.00 0.00 175.76 175.58 1cee s VAL 42 N 1.91 4.62 -0.35 0.00 1.01 -0.87 -4.94 120.40 121.79 1cee s VAL 42 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1cee s VAL 42 Cb -0.13 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1cee s VAL 42 CO -0.06 0.61 0.15 -0.89 0.00 0.00 0.00 175.10 174.91 1cee s THR 43 N -0.91 4.17 0.26 3.92 2.01 -1.26 0.14 115.64 123.96 1cee s THR 43 Ca 0.14 -0.97 0.11 0.00 0.31 0.00 0.00 61.69 61.28 1cee s THR 43 Cb -0.12 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1cee s THR 43 CO 0.03 -0.18 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.89 1cee s VAL 44 N 1.48 2.34 -0.99 3.82 1.01 -1.13 -4.92 120.40 122.01 1cee s VAL 44 Ca 0.00 -2.33 -0.19 0.00 0.00 0.00 0.00 61.98 59.47 1cee s VAL 44 Cb -0.19 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1cee s VAL 44 CO 0.05 -0.40 1.25 -0.04 0.00 0.00 0.00 175.10 175.96 1cee s MET 45 N -3.42 3.67 -0.20 2.72 -1.94 -1.26 0.47 119.30 119.34 1cee s MET 45 Ca 0.27 -1.75 -0.05 0.00 -1.71 0.00 0.00 55.69 52.46 1cee s MET 45 Cb -0.05 -5.04 -0.02 0.00 2.01 0.00 0.00 34.83 31.73 1cee s MET 45 CO 0.13 -1.87 -0.00 0.42 -0.01 0.00 0.00 175.02 173.69 1cee s ILE 46 N 3.04 3.96 -1.46 2.53 1.01 -0.09 -4.54 121.20 125.66 1cee s ILE 46 Ca 0.37 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1cee s ILE 46 Cb -0.03 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1cee s ILE 46 CO -0.08 0.43 0.61 0.61 0.00 0.00 0.00 174.94 176.51 1cee n GLY 47 N 4.21 -0.45 2.30 6.18 0.00 -1.26 -1.86 105.19 114.31 1cee n GLY 47 Ca -0.17 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.51 0.53 3.20 -0.02 0.00 -1.26 -5.00 105.19 101.12 1cee n GLY 48 Ca -0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.92 0.40 -0.70 1.61 2.02 -0.78 -5.10 118.70 112.24 1cee s GLU 49 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 54.97 55.06 1cee s GLU 49 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 1cee s GLU 49 CO 0.00 -0.06 2.02 -1.25 0.02 0.00 0.00 175.26 175.99 1cee s PRO 50 N -0.07 2.42 0.74 0.39 0.04 -1.26 -0.91 135.00 136.36 1cee s PRO 50 Ca -0.02 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.35 1cee s PRO 50 Cb -0.03 -4.66 0.17 0.00 0.04 0.00 0.00 34.50 30.02 1cee s PRO 50 CO 0.01 -3.18 1.01 0.66 0.04 0.00 0.00 177.00 175.54 1cee n TYR 51 N 14.20 -3.86 -3.44 0.56 4.02 0.18 -4.65 117.16 124.16 1cee n TYR 51 Ca 0.31 -0.99 -0.25 0.00 -0.01 0.00 0.00 57.90 56.96 1cee n TYR 51 Cb 0.50 -0.78 -0.11 0.00 -0.02 0.00 0.00 39.34 38.93 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 -3.16 -0.03 0.27 -0.72 2.01 -0.84 -2.82 115.64 110.35 1cee s THR 52 Ca 0.58 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1cee s THR 52 Cb -0.02 -0.98 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 1cee s THR 52 CO 0.41 -0.83 1.40 -0.22 -0.69 0.00 0.00 174.62 174.69 1cee s LEU 53 N 1.33 4.39 -0.55 4.42 2.96 0.12 -2.49 118.68 128.86 1cee s LEU 53 Ca 0.16 2.68 -0.19 0.00 -0.22 0.00 0.00 54.13 56.57 1cee s LEU 53 Cb -0.20 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 42.95 1cee s LEU 53 CO -0.06 -0.66 0.65 -0.83 -1.32 0.00 0.00 176.35 174.13 1cee s GLY 54 N 0.12 1.81 -0.44 7.98 0.00 0.42 -2.04 107.32 115.17 1cee s GLY 54 Ca 0.56 -2.08 -0.26 0.00 0.00 0.00 0.00 44.72 42.95 1cee s GLY 54 CO 0.47 1.49 0.93 1.08 0.00 0.00 0.00 173.10 177.06 1cee s LEU 55 N 2.54 4.00 -0.11 0.66 2.01 -0.77 -2.74 118.68 124.27 1cee s LEU 55 Ca 0.12 0.21 0.03 0.00 0.01 0.00 0.00 54.13 54.50 1cee s LEU 55 Cb -0.23 -3.21 -0.00 0.00 0.01 0.00 0.00 46.19 42.76 1cee s LEU 55 CO 0.08 -1.02 -0.23 -0.36 1.01 0.00 0.00 176.35 175.83 1cee s PHE 56 N 3.72 2.59 -0.02 0.29 0.40 -1.15 -2.06 117.98 121.76 1cee s PHE 56 Ca 0.37 -1.04 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 1cee s PHE 56 Cb -0.10 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1cee s PHE 56 CO 0.25 -0.42 -0.26 0.34 0.70 0.00 0.00 175.22 175.83 1cee s ASP 57 N 0.39 3.01 0.29 1.36 -1.08 -1.25 -2.07 116.67 117.32 1cee s ASP 57 Ca -0.17 -0.47 0.08 0.00 -0.52 0.00 0.00 52.55 51.47 1cee s ASP 57 Cb -0.18 -0.33 -0.06 0.00 -1.46 0.00 0.00 42.92 40.89 1cee s ASP 57 CO 0.08 0.31 -0.09 0.42 0.52 0.00 0.00 175.17 176.40 1cee s THR 58 N -0.61 1.91 0.17 1.71 -4.23 -1.24 -4.33 115.64 109.02 1cee s THR 58 Ca 0.10 -2.19 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 1cee s THR 58 Cb -0.10 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 1cee s THR 58 CO -0.01 -0.32 0.43 0.00 -0.54 0.00 0.00 174.62 174.19 1cee s ALA 59 N -2.84 3.72 0.02 3.99 0.00 -1.24 -4.89 121.76 120.51 1cee s ALA 59 Ca 0.30 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 1cee s ALA 59 Cb 0.02 -2.23 -0.33 0.00 0.00 0.00 0.00 23.12 20.57 1cee s ALA 59 CO 0.13 0.62 1.01 0.78 0.00 0.00 0.00 175.76 178.29 1cee h GLY 60 N 2.72 0.60 -1.97 0.00 0.00 -1.81 -3.47 103.07 99.13 1cee h GLY 60 Ca -0.46 -1.44 -0.51 0.00 0.00 0.00 0.00 47.33 44.92 1cee h GLY 60 CO 0.71 1.27 -1.20 -1.06 0.00 0.00 0.00 176.54 176.27 1cee n GLN 61 N -3.81 -0.62 0.03 4.80 1.13 -1.26 -4.62 117.38 113.02 1cee n GLN 61 Ca -0.16 -0.16 0.01 0.00 -1.94 0.00 0.00 57.00 54.76 1cee n GLN 61 Cb 1.03 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 29.72 1cee n GLN 61 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1cee n GLU 62 N -0.64 0.63 0.16 -1.09 1.02 -1.26 -4.01 120.64 115.43 1cee n GLU 62 Ca 0.02 0.17 0.19 0.00 -0.02 0.00 0.00 57.16 57.52 1cee n GLU 62 Cb 0.59 -1.77 0.79 0.00 -0.02 0.00 0.00 31.44 31.03 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cee h ASP 63 N 0.00 0.00 -0.48 1.62 1.82 -1.98 0.52 116.42 117.92 1cee h ASP 63 Ca -0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1cee h ASP 63 Cb 1.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1cee h ASP 63 CO 0.04 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.45 1cee n TYR 64 N -3.74 1.14 0.19 0.28 4.02 -1.26 -4.21 117.16 113.58 1cee n TYR 64 Ca 0.04 -0.45 0.06 0.00 -0.01 0.00 0.00 57.90 57.55 1cee n TYR 64 Cb 0.46 -0.21 0.36 0.00 -0.02 0.00 0.00 39.34 39.93 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 3.01 0.00 -0.84 7.72 2.03 -0.17 -1.19 116.42 126.99 1cee h ASP 65 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1cee h ASP 65 Cb 1.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 1cee h ASP 65 CO 0.19 0.34 0.40 0.03 -1.03 0.00 0.00 179.24 179.17 1cee h ARG 66 N 0.00 1.21 -0.12 4.15 2.47 -1.77 -3.05 114.38 117.27 1cee h ARG 66 Ca -0.00 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1cee h ARG 66 Cb 0.87 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1cee h ARG 66 CO 0.04 0.93 -0.15 1.47 0.56 0.00 0.00 179.97 182.83 1cee n LEU 67 N -4.31 3.10 0.05 3.04 -0.00 -1.17 -4.69 117.00 113.01 1cee n LEU 67 Ca 0.08 -3.44 -0.20 0.00 -0.00 0.00 0.00 56.01 52.46 1cee n LEU 67 Cb 0.14 -0.52 -0.14 0.00 -0.00 0.00 0.00 43.42 42.90 1cee n LEU 67 CO 0.40 1.00 0.06 -0.09 -0.00 0.00 0.00 177.39 178.76 1cee h ARG 68 N 0.80 0.34 0.00 1.47 2.43 -1.09 -3.30 114.38 115.03 1cee h ARG 68 Ca 0.05 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1cee h ARG 68 Cb 1.22 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1cee h ARG 68 CO 0.12 1.23 -0.21 -1.35 -1.51 0.00 0.00 179.97 178.25 1cee h PRO 69 N -0.29 0.00 -0.07 0.20 0.11 -1.84 -2.66 132.00 127.46 1cee h PRO 69 Ca -0.14 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.99 1cee h PRO 69 Cb 1.62 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.73 1cee h PRO 69 CO 0.16 0.21 0.17 -0.07 -0.21 0.00 0.00 178.00 178.26 1cee h LEU 70 N 0.00 0.00 -2.03 2.35 4.07 -1.87 0.36 115.31 118.19 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 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1cee h LEU 70 CO 0.03 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.19 1cee n SER 71 N -3.30 2.99 -2.38 -0.43 7.64 -1.00 -4.22 113.62 112.91 1cee n SER 71 Ca -0.01 -2.35 -0.27 0.00 1.01 0.00 0.00 58.87 57.25 1cee n SER 71 Cb 0.26 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.95 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1cee n TYR 72 N 0.35 3.22 -1.80 1.43 4.02 0.12 -4.92 117.16 119.58 1cee n TYR 72 Ca 0.13 -2.84 -0.21 0.00 -0.01 0.00 0.00 57.90 54.97 1cee n TYR 72 Cb 0.62 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1cee n TYR 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1cee s PRO 73 N -3.59 2.08 -1.50 -0.72 0.04 -1.26 -3.16 135.00 126.89 1cee s PRO 73 Ca 0.49 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.59 1cee s PRO 73 Cb 0.41 -4.89 0.07 0.00 0.04 0.00 0.00 34.50 30.13 1cee s PRO 73 CO -0.14 -3.87 0.98 0.94 0.04 0.00 0.00 177.00 174.94 1cee n GLN 74 N 8.86 -5.78 -1.48 4.56 7.27 -1.26 -4.87 117.38 124.68 1cee n GLN 74 Ca 0.43 0.64 -0.42 0.00 0.07 0.00 0.00 57.00 57.72 1cee n GLN 74 Cb 0.46 -5.55 0.01 0.00 2.41 0.00 0.00 30.24 27.56 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1cee n THR 75 N -4.70 1.93 0.00 1.69 -1.04 -1.19 -4.89 114.28 106.09 1cee n THR 75 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1cee n THR 75 Cb 0.53 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 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 1.11 0.00 -4.97 8.00 8.00 0.25 -5.00 116.55 123.93 1cee n ASP 76 Ca 0.11 0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.47 1cee n ASP 76 Cb 0.39 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.53 2.25 -0.05 2.53 0.11 -1.21 -3.41 120.40 120.10 1cee s VAL 77 Ca 0.00 -1.17 -0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1cee s VAL 77 Cb 0.00 -2.42 0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1cee s VAL 77 CO 0.00 0.00 0.00 -0.36 -3.33 0.00 0.00 175.10 171.41 1cee s PHE 78 N -2.61 0.46 -0.63 1.54 0.40 -1.14 -3.20 117.98 112.80 1cee s PHE 78 Ca 0.52 -0.05 -0.19 0.00 -0.60 0.00 0.00 56.93 56.61 1cee s PHE 78 Cb -0.05 -0.57 0.11 0.00 0.51 0.00 0.00 43.02 43.01 1cee s PHE 78 CO 0.32 -0.20 0.77 -0.51 0.70 0.00 0.00 175.22 176.29 1cee s LEU 79 N 1.42 5.29 -1.02 -0.37 1.43 -0.03 -1.04 118.68 124.37 1cee s LEU 79 Ca -0.04 -1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 51.43 1cee s LEU 79 Cb -0.13 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 43.93 1cee s LEU 79 CO -0.03 -1.14 1.19 -0.69 0.23 0.00 0.00 176.35 175.92 1cee s VAL 80 N 2.77 4.96 -0.44 -1.59 1.01 -0.78 0.42 120.40 126.74 1cee s VAL 80 Ca 0.14 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 1cee s VAL 80 Cb -0.22 -4.79 0.02 0.00 0.00 0.00 0.00 36.38 31.40 1cee s VAL 80 CO 0.05 -1.49 1.00 0.00 0.00 0.00 0.00 175.10 174.67 1cee s PHE 82 N 3.92 2.20 0.01 0.00 -0.71 0.71 -3.65 117.98 120.45 1cee s PHE 82 Ca 0.41 -0.54 -0.30 0.00 -1.04 0.00 0.00 56.93 55.46 1cee s PHE 82 Cb -0.10 -1.43 -0.08 0.00 -1.21 0.00 0.00 43.02 40.20 1cee s PHE 82 CO 0.26 -0.13 1.97 0.45 -1.34 0.00 0.00 175.22 176.43 1cee s SER 83 N -0.32 6.38 0.35 1.98 0.15 -1.26 -0.92 113.70 120.06 1cee s SER 83 Ca 0.02 2.57 0.14 0.00 0.70 0.00 0.00 55.95 59.38 1cee s SER 83 Cb -0.11 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.31 1cee s SER 83 CO 0.01 -1.13 1.76 0.58 1.20 0.00 0.00 173.24 175.67 1cee h VAL 84 N 5.76 1.21 -0.59 4.45 2.07 -0.33 -3.01 116.25 125.82 1cee h VAL 84 Ca -0.48 -1.53 -0.39 0.00 0.82 0.00 0.00 66.70 65.12 1cee h VAL 84 Cb 1.23 1.85 -0.17 0.00 -1.52 0.00 0.00 31.29 32.68 1cee h VAL 84 CO 0.94 0.42 0.50 1.33 0.02 0.00 0.00 177.57 180.78 1cee n VAL 85 N -3.88 2.87 -3.16 2.57 0.24 -1.26 -0.23 118.33 115.48 1cee n VAL 85 Ca -0.01 -1.81 0.05 0.00 -2.04 0.00 0.00 64.34 60.53 1cee n VAL 85 Cb 0.48 -1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.26 -0.71 0.61 -1.34 0.15 -1.14 -4.61 113.70 106.39 1cee s SER 86 Ca 0.37 0.47 0.40 0.00 0.70 0.00 0.00 55.95 57.90 1cee s SER 86 Cb 0.30 1.61 2.10 0.00 -1.71 0.00 0.00 66.02 68.31 1cee s SER 86 CO 0.00 -0.13 2.23 1.55 1.20 0.00 0.00 173.24 178.09 1cee h PRO 87 N 7.98 0.00 0.12 5.44 0.13 -1.82 -3.16 132.00 140.69 1cee h PRO 87 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1cee h PRO 87 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1cee h PRO 87 CO 0.01 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 178.12 1cee h SER 88 N 0.00 -0.94 -0.73 1.44 4.64 -1.95 0.58 113.55 116.59 1cee h SER 88 Ca 0.00 0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1cee h SER 88 Cb 0.11 0.34 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 1cee h SER 88 CO 0.00 -0.35 0.38 -1.28 -0.87 0.00 0.00 176.83 174.71 1cee h SER 89 N -0.49 0.52 -0.89 4.97 0.87 -1.83 -1.05 113.55 115.65 1cee h SER 89 Ca -0.01 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1cee h SER 89 Cb 0.47 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1cee h SER 89 CO -0.14 0.30 0.59 0.15 -0.53 0.00 0.00 176.83 177.19 1cee h PHE 90 N 0.65 1.08 0.10 2.24 3.04 -1.48 1.42 116.94 123.99 1cee h PHE 90 Ca 0.36 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.33 1cee h PHE 90 Cb 0.35 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1cee h PHE 90 CO -0.09 0.63 -0.05 0.93 -2.02 0.00 0.00 178.31 177.71 1cee h GLU 91 N 1.12 -0.13 0.00 1.11 4.39 0.14 -2.85 114.58 118.37 1cee h GLU 91 Ca 0.35 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 1cee h GLU 91 Cb 0.01 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1cee h GLU 91 CO -0.10 0.08 -0.54 -0.91 -1.16 0.00 0.00 179.01 176.38 1cee h ASN 92 N -0.32 0.00 -0.63 1.42 2.35 -1.04 -2.04 115.58 115.32 1cee h ASN 92 Ca -0.01 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1cee h ASN 92 Cb 0.27 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.54 1cee h ASN 92 CO 0.02 0.54 0.05 0.58 -1.65 0.00 0.00 177.43 176.97 1cee h VAL 93 N 0.00 0.52 0.00 2.81 2.07 0.22 1.35 116.25 123.22 1cee h VAL 93 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1cee h VAL 93 Cb 1.00 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1cee h VAL 93 CO 0.07 0.03 -0.99 0.07 0.02 0.00 0.00 177.57 176.77 1cee h LYS 94 N 0.16 0.00 -1.76 1.57 2.10 -1.47 -3.14 116.57 114.04 1cee h LYS 94 Ca 0.33 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.50 1cee h LYS 94 Cb 0.54 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 31.47 1cee h LYS 94 CO -0.50 0.02 -1.02 0.39 -2.00 0.00 0.00 179.45 176.33 1cee n GLU 95 N -2.71 1.80 0.00 0.07 1.02 -0.43 -4.61 120.64 115.77 1cee n GLU 95 Ca -0.00 -3.80 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 1cee n GLU 95 Cb 0.57 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.01 0.00 -0.06 3.49 0.00 0.45 -4.58 118.16 117.45 1cee n LYS 96 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.44 1cee n LYS 96 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.62 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1cee h TRP 97 N 0.00 0.34 0.49 5.64 4.06 -1.36 -2.58 115.95 122.54 1cee h TRP 97 Ca 0.00 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 1cee h TRP 97 Cb 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1cee h TRP 97 CO 0.00 0.50 -0.24 0.28 -3.56 0.00 0.00 178.44 175.42 1cee h VAL 98 N 0.08 0.04 -0.17 1.49 2.07 -1.75 -3.21 116.25 114.80 1cee h VAL 98 Ca 0.05 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1cee h VAL 98 Cb 0.36 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1cee h VAL 98 CO 0.01 0.01 0.38 1.55 0.02 0.00 0.00 177.57 179.54 1cee h PRO 99 N -1.16 0.00 -0.01 1.57 0.13 -1.82 0.20 132.00 130.91 1cee h PRO 99 Ca -0.07 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.90 1cee h PRO 99 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1cee h PRO 99 CO 0.11 0.00 -0.75 0.93 -0.23 0.00 0.00 178.00 178.06 1cee h GLU 100 N 0.00 0.12 0.06 0.86 5.08 -1.47 -3.14 114.58 116.08 1cee h GLU 100 Ca 0.08 -0.11 -0.38 0.00 -1.00 0.00 0.00 59.36 57.95 1cee h GLU 100 Cb 0.84 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1cee h GLU 100 CO -0.00 0.81 -2.27 0.44 -1.00 0.00 0.00 179.01 177.00 1cee n ILE 101 N -3.71 1.62 -0.01 3.13 -5.35 0.43 -3.92 119.36 111.56 1cee n ILE 101 Ca -0.02 -0.61 0.23 0.00 -0.27 0.00 0.00 62.75 62.08 1cee n ILE 101 Cb 0.72 -1.56 0.72 0.00 -1.74 0.00 0.00 39.64 37.79 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 0.03 0.52 0.07 7.28 1.35 -0.89 1.38 112.91 122.66 1cee h THR 102 Ca -0.51 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.08 1cee h THR 102 Cb 1.96 0.64 0.02 0.00 -1.73 0.00 0.00 68.15 69.04 1cee h THR 102 CO -0.01 0.00 -1.14 -0.74 -0.25 0.00 0.00 175.52 173.38 1cee h HIS 103 N 0.00 0.87 0.00 4.73 2.76 -1.71 -1.92 115.15 119.88 1cee h HIS 103 Ca 0.27 -0.53 -0.20 0.00 -2.20 0.00 0.00 60.37 57.72 1cee h HIS 103 Cb 1.24 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 1cee h HIS 103 CO 0.00 1.37 -0.96 1.25 -1.30 0.00 0.00 177.93 178.29 1cee h HIS 104 N 0.27 0.00 -1.50 5.26 6.17 -0.67 -3.42 115.15 121.25 1cee h HIS 104 Ca -0.15 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.74 1cee h HIS 104 Cb 1.81 0.00 -0.26 0.00 2.52 0.00 0.00 27.41 31.48 1cee h HIS 104 CO 0.09 0.94 -0.55 0.00 0.71 0.00 0.00 177.93 179.12 1cee n PRO 106 N 4.62 1.25 -0.02 0.00 -0.04 -0.72 -3.55 135.00 136.54 1cee n PRO 106 Ca 0.09 -0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.17 1cee n PRO 106 Cb 0.51 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.19 1.59 -1.69 0.54 -0.00 -1.26 -5.04 118.16 112.11 1cee n LYS 107 Ca 0.03 0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.93 1cee n LYS 107 Cb 0.11 -1.08 -0.01 0.00 -0.00 0.00 0.00 35.03 34.05 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 -2.39 1.91 -1.37 0.58 -2.24 -1.23 -4.94 114.28 104.59 1cee n THR 108 Ca -0.06 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1cee n THR 108 Cb 0.58 -1.52 0.10 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.72 2.03 -0.39 -0.78 0.04 -1.22 -4.97 135.00 127.99 1cee s PRO 109 Ca 0.57 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1cee s PRO 109 Cb -0.59 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.26 1cee s PRO 109 CO 0.61 -1.92 0.18 -0.06 0.04 0.00 0.00 177.00 175.85 1cee s PHE 110 N -1.99 1.93 -0.11 0.56 0.08 -1.26 -2.87 117.98 114.32 1cee s PHE 110 Ca 0.75 -2.20 -0.30 0.00 0.12 0.00 0.00 56.93 55.30 1cee s PHE 110 Cb -0.30 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1cee s PHE 110 CO 0.46 -0.82 1.37 -1.17 -0.10 0.00 0.00 175.22 174.96 1cee s LEU 111 N 0.81 4.24 -0.25 -0.37 1.98 -0.21 -2.56 118.68 122.31 1cee s LEU 111 Ca 0.15 1.89 -0.18 0.00 -2.89 0.00 0.00 54.13 53.09 1cee s LEU 111 Cb -0.22 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.06 1cee s LEU 111 CO -0.08 -0.78 0.54 -0.22 -1.89 0.00 0.00 176.35 173.92 1cee s LEU 112 N 3.38 4.06 -0.13 -0.68 2.96 -1.01 -1.87 118.68 125.39 1cee s LEU 112 Ca 0.61 0.58 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 1cee s LEU 112 Cb -0.26 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.73 1cee s LEU 112 CO 0.20 -0.30 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.03 1cee s VAL 113 N 2.29 2.10 -0.43 1.68 1.01 -0.27 -1.35 120.40 125.43 1cee s VAL 113 Ca 0.23 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1cee s VAL 113 Cb -0.16 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.51 1cee s VAL 113 CO 0.09 0.55 0.25 -0.83 0.00 0.00 0.00 175.10 175.16 1cee s GLY 114 N 0.74 2.02 0.72 4.51 0.00 -1.07 -0.21 107.32 114.03 1cee s GLY 114 Ca -0.09 -2.56 -0.01 0.00 0.00 0.00 0.00 44.72 42.06 1cee s GLY 114 CO -0.00 1.05 0.99 -1.59 0.00 0.00 0.00 173.10 173.55 1cee s THR 115 N 1.17 2.16 -0.25 0.90 2.01 -0.09 -1.75 115.64 119.78 1cee s THR 115 Ca 0.08 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1cee s THR 115 Cb -0.24 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1cee s THR 115 CO -0.03 0.00 0.21 0.00 -0.69 0.00 0.00 174.62 174.11 1cee n GLN 116 N -2.82 -1.08 -0.03 4.92 3.00 -1.26 0.32 117.38 120.44 1cee n GLN 116 Ca 0.15 0.19 -0.11 0.00 -0.01 0.00 0.00 57.00 57.21 1cee n GLN 116 Cb 0.61 -2.93 -0.14 0.00 0.00 0.00 0.00 30.24 27.77 1cee n GLN 116 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1cee n ILE 117 N -1.77 1.61 0.08 5.09 5.41 -1.26 -3.61 119.36 124.91 1cee n ILE 117 Ca -0.04 -0.77 0.20 0.00 1.00 0.00 0.00 62.75 63.14 1cee n ILE 117 Cb 0.53 -1.09 0.68 0.00 -0.71 0.00 0.00 39.64 39.05 1cee n ILE 117 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1cee h ASP 118 N 0.01 0.00 0.10 4.38 2.03 -1.97 0.23 116.42 121.20 1cee h ASP 118 Ca -0.35 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.59 1cee h ASP 118 Cb 2.04 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.48 1cee h ASP 118 CO 0.07 0.00 -2.26 0.18 -1.03 0.00 0.00 179.24 176.20 1cee n LEU 119 N -3.48 1.16 0.24 0.15 7.99 -1.26 -4.13 117.00 117.68 1cee n LEU 119 Ca 0.09 0.06 0.18 0.00 -0.01 0.00 0.00 56.01 56.32 1cee n LEU 119 Cb 0.76 -0.07 0.88 0.00 -0.11 0.00 0.00 43.42 44.88 1cee n LEU 119 CO 0.24 0.63 1.15 -0.09 -1.51 0.00 0.00 177.39 177.81 1cee h ARG 120 N 0.01 0.00 -0.26 3.23 1.12 -0.62 0.39 114.38 118.25 1cee h ARG 120 Ca -0.50 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1cee h ARG 120 Cb 2.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.06 1cee h ARG 120 CO 0.01 0.00 0.00 -0.40 -3.11 0.00 0.00 179.97 176.47 1cee n ASP 121 N -3.49 3.28 -4.26 -3.80 5.68 -0.85 -4.82 116.55 108.28 1cee n ASP 121 Ca 0.01 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.90 1cee n ASP 121 Cb 0.32 -0.16 -0.09 0.00 -1.14 0.00 0.00 41.12 40.05 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1cee s ASP 122 N -1.68 5.68 0.28 -1.12 -1.08 0.14 -4.96 116.67 113.92 1cee s ASP 122 Ca 0.35 -1.60 -0.03 0.00 -0.52 0.00 0.00 52.55 50.75 1cee s ASP 122 Cb 0.22 -2.00 0.37 0.00 -1.46 0.00 0.00 42.92 40.04 1cee s ASP 122 CO 0.31 -0.59 1.90 1.55 0.52 0.00 0.00 175.17 178.86 1cee h PRO 123 N 8.44 1.06 -1.00 4.34 0.13 -1.88 0.64 132.00 143.72 1cee h PRO 123 Ca -0.23 -0.12 0.24 0.00 -0.87 0.00 0.00 66.00 65.02 1cee h PRO 123 Cb 1.08 -0.21 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 1cee h PRO 123 CO 0.79 0.78 0.64 0.77 -0.23 0.00 0.00 178.00 180.76 1cee h SER 124 N 1.06 0.50 0.04 1.44 0.02 -1.94 0.91 113.55 115.57 1cee h SER 124 Ca 0.27 0.08 -0.32 0.00 -0.84 0.00 0.00 61.79 60.97 1cee h SER 124 Cb 0.04 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1cee h SER 124 CO -0.04 0.14 -1.80 0.35 -1.14 0.00 0.00 176.83 174.33 1cee n THR 125 N -4.63 1.60 -0.16 -2.27 -2.24 -0.98 -3.08 114.28 102.52 1cee n THR 125 Ca 0.24 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1cee n THR 125 Cb 0.78 -1.87 0.06 0.00 -2.10 0.00 0.00 70.33 67.21 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 -0.60 0.60 0.00 2.28 2.04 -0.28 0.49 117.51 122.04 1cee h ILE 126 Ca -0.45 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1cee h ILE 126 Cb 1.62 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1cee h ILE 126 CO -0.15 0.02 -0.46 -0.33 0.00 0.00 0.00 178.15 177.23 1cee h GLU 127 N 0.12 0.00 -0.28 2.37 4.39 0.63 0.43 114.58 122.24 1cee h GLU 127 Ca 0.26 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1cee h GLU 127 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1cee h GLU 127 CO -0.43 0.46 0.02 -0.22 -1.16 0.00 0.00 179.01 177.69 1cee h LYS 128 N 0.00 0.48 0.00 2.33 3.64 -0.89 -3.26 116.57 118.87 1cee h LYS 128 Ca -0.00 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1cee h LYS 128 Cb 1.01 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1cee h LYS 128 CO 0.06 0.62 -1.73 1.47 -2.27 0.00 0.00 179.45 177.60 1cee n LEU 129 N -4.62 0.24 -0.61 5.20 -0.00 -0.45 -4.32 117.00 112.45 1cee n LEU 129 Ca -0.03 0.10 0.48 0.00 -0.00 0.00 0.00 56.01 56.56 1cee n LEU 129 Cb 0.23 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 44.41 1cee n LEU 129 CO 0.38 -0.03 1.45 0.00 -0.00 0.00 0.00 177.39 179.19 1cee h ALA 130 N 1.96 3.70 -0.01 1.47 0.00 -0.17 0.28 119.26 126.48 1cee h ALA 130 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1cee h ALA 130 Cb 1.05 0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 1cee h ALA 130 CO 0.00 -2.30 -0.90 1.17 0.00 0.00 0.00 179.25 177.22 1cee n LYS 131 N -3.81 0.48 -0.02 0.00 4.81 -1.26 -4.79 118.16 113.58 1cee n LYS 131 Ca 0.40 -2.39 -0.02 0.00 -0.87 0.00 0.00 58.31 55.44 1cee n LYS 131 Cb 1.92 -0.47 -0.02 0.00 0.02 0.00 0.00 35.03 36.47 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1cee n ASN 132 N 0.05 4.19 0.00 3.14 3.02 0.96 -5.00 115.26 121.61 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 1.02 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.69 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 -2.17 0.00 -4.73 3.52 -0.00 -1.15 -5.10 118.16 108.54 1cee n LYS 133 Ca -0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.94 1cee n LYS 133 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.55 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1cee s GLN 134 N 0.00 2.17 -0.23 -1.58 -0.21 -1.16 -4.95 119.66 113.70 1cee s GLN 134 Ca 0.00 -2.38 -0.28 0.00 0.02 0.00 0.00 55.36 52.71 1cee s GLN 134 Cb 0.00 -1.38 0.15 0.00 1.00 0.00 0.00 33.01 32.78 1cee s GLN 134 CO 0.00 -0.39 1.14 -1.59 -2.12 0.00 0.00 175.29 172.33 1cee s LYS 135 N -3.85 0.39 0.38 2.91 -2.85 -1.26 -3.63 119.74 111.83 1cee s LYS 135 Ca 0.07 0.18 -0.24 0.00 -1.00 0.00 0.00 55.97 54.98 1cee s LYS 135 Cb 0.01 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 1cee s LYS 135 CO 0.04 -0.10 1.03 -1.25 0.10 0.00 0.00 175.35 175.17 1cee s PRO 136 N -0.73 4.25 -0.03 1.78 0.04 -1.26 -3.53 135.00 135.53 1cee s PRO 136 Ca 0.03 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1cee s PRO 136 Cb -0.02 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1cee s PRO 136 CO -0.04 -0.06 0.43 0.42 0.04 0.00 0.00 177.00 177.79 1cee s ILE 137 N -1.64 5.06 0.35 0.56 -1.09 0.68 -4.98 121.20 120.13 1cee s ILE 137 Ca 0.56 0.89 -0.19 0.00 -2.23 0.00 0.00 60.65 59.68 1cee s ILE 137 Cb -0.22 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.82 1cee s ILE 137 CO 0.27 0.50 0.84 0.42 -1.23 0.00 0.00 174.94 175.74 1cee s THR 138 N -0.57 4.51 0.37 2.92 -4.23 -1.26 -4.93 115.64 112.44 1cee s THR 138 Ca 0.24 1.29 0.15 0.00 -1.18 0.00 0.00 61.69 62.19 1cee s THR 138 Cb -0.16 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.35 1cee s THR 138 CO 0.13 -0.15 1.76 -0.65 -0.54 0.00 0.00 174.62 175.17 1cee h PRO 139 N 2.39 0.46 -0.06 3.99 0.11 -1.99 -0.74 132.00 136.16 1cee h PRO 139 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1cee h PRO 139 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1cee h PRO 139 CO 0.64 0.31 -0.04 0.93 -0.21 0.00 0.00 178.00 179.63 1cee h GLU 140 N 0.48 0.12 -0.88 1.05 5.08 -1.98 -0.70 114.58 117.75 1cee h GLU 140 Ca 0.61 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 59.04 1cee h GLU 140 Cb 1.37 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.54 1cee h GLU 140 CO -0.35 0.53 0.50 1.15 -1.00 0.00 0.00 179.01 179.84 1cee h THR 141 N -0.28 0.83 -0.11 1.13 2.02 -1.55 0.11 112.91 115.05 1cee h THR 141 Ca 0.01 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1cee h THR 141 Cb 0.50 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1cee h THR 141 CO 0.01 0.14 -0.15 0.00 0.37 0.00 0.00 175.52 175.89 1cee h ALA 142 N 1.53 0.16 -0.63 6.16 0.00 -1.30 -2.91 119.26 122.27 1cee h ALA 142 Ca 0.46 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1cee h ALA 142 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1cee h ALA 142 CO -0.31 0.05 0.44 1.49 0.00 0.00 0.00 179.25 180.92 1cee h GLU 143 N -0.14 0.16 -0.09 0.00 4.81 -0.31 0.04 114.58 119.06 1cee h GLU 143 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1cee h GLU 143 Cb 0.70 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1cee h GLU 143 CO 0.03 0.11 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.12 1cee h LYS 144 N 0.17 -0.09 -0.43 1.92 3.64 -0.62 0.27 116.57 121.42 1cee h LYS 144 Ca 0.30 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1cee h LYS 144 Cb 0.96 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1cee h LYS 144 CO -0.05 -0.06 0.28 -0.07 -2.27 0.00 0.00 179.45 177.28 1cee h LEU 145 N -0.10 0.49 -2.23 5.20 3.38 -1.01 1.31 115.31 122.34 1cee h LEU 145 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1cee h LEU 145 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1cee h LEU 145 CO -0.15 0.36 0.14 0.00 0.09 0.00 0.00 178.44 178.88 1cee h ALA 146 N 1.16 1.82 0.01 1.53 0.00 -0.50 0.55 119.26 123.83 1cee h ALA 146 Ca 0.16 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 1cee h ALA 146 Cb -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1cee h ALA 146 CO -0.04 -0.22 -2.18 0.54 0.00 0.00 0.00 179.25 177.36 1cee n ARG 147 N -3.96 0.67 0.16 0.00 1.74 0.87 0.92 116.66 117.06 1cee n ARG 147 Ca 0.01 0.12 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 1cee n ARG 147 Cb 0.26 -1.61 0.16 0.00 -1.02 0.00 0.00 32.46 30.25 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1cee h ASP 148 N 0.01 0.00 -0.59 0.55 3.58 0.24 -3.11 116.42 117.10 1cee h ASP 148 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1cee h ASP 148 Cb 2.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.17 1cee h ASP 148 CO 0.03 0.46 0.00 0.18 -2.88 0.00 0.00 179.24 177.04 1cee n LEU 149 N -3.35 4.29 -1.62 2.28 4.77 0.18 -4.93 117.00 118.63 1cee n LEU 149 Ca 0.01 -2.35 -0.20 0.00 -0.03 0.00 0.00 56.01 53.44 1cee n LEU 149 Cb 0.64 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1cee n LEU 149 CO 0.39 0.82 -0.20 0.29 -1.33 0.00 0.00 177.39 177.37 1cee n LYS 150 N 0.99 -1.41 -1.65 3.23 5.02 -1.18 -4.91 118.16 118.26 1cee n LYS 150 Ca 0.23 1.17 -0.42 0.00 -2.02 0.00 0.00 58.31 57.27 1cee n LYS 150 Cb 0.78 -5.55 -0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee n ALA 151 N 0.96 0.62 0.08 7.82 0.00 0.26 -4.74 120.51 125.52 1cee n ALA 151 Ca -0.20 0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.65 1cee n ALA 151 Cb 0.66 -2.15 0.56 0.00 0.00 0.00 0.00 19.45 18.52 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 2.07 0.96 0.00 0.00 -1.51 -1.74 -3.44 116.25 112.60 1cee h VAL 152 Ca -0.44 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1cee h VAL 152 Cb 1.31 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1cee h VAL 152 CO 0.60 0.04 0.00 0.29 -1.23 0.00 0.00 177.57 177.27 1cee n LYS 153 N -4.48 0.00 -3.64 5.19 4.76 -1.26 -5.06 118.16 113.66 1cee n LYS 153 Ca 0.03 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.11 1cee n LYS 153 Cb 0.22 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.33 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 -1.95 3.42 -0.13 2.13 5.04 -1.26 -2.41 117.35 122.19 1cee s TYR 154 Ca 0.00 0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.99 1cee s TYR 154 Cb 0.00 -2.25 0.06 0.00 0.35 0.00 0.00 41.96 40.12 1cee s TYR 154 CO 0.00 0.24 0.28 0.14 -1.34 0.00 0.00 175.55 174.87 1cee s VAL 155 N 0.51 -0.18 -0.03 3.14 -7.23 -0.46 -5.00 120.40 111.15 1cee s VAL 155 Ca 0.11 0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 60.43 1cee s VAL 155 Cb -0.12 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 1cee s VAL 155 CO 0.01 0.08 0.19 -1.83 -0.31 0.00 0.00 175.10 173.24 1cee s GLU 156 N 1.71 3.46 -0.09 4.82 1.03 -1.26 -2.59 118.70 125.78 1cee s GLU 156 Ca -0.06 -0.25 -0.30 0.00 0.03 0.00 0.00 54.97 54.40 1cee s GLU 156 Cb -0.11 -3.11 0.11 0.00 -0.80 0.00 0.00 34.13 30.22 1cee s GLU 156 CO -0.09 0.69 0.88 0.00 -1.33 0.00 0.00 175.26 175.41 1cee s SER 158 N -1.51 2.04 -0.06 0.00 0.15 -1.25 -3.87 113.70 109.20 1cee s SER 158 Ca -0.02 -1.72 0.10 0.00 0.70 0.00 0.00 55.95 55.01 1cee s SER 158 Cb -0.00 0.54 -0.15 0.00 -1.71 0.00 0.00 66.02 64.69 1cee s SER 158 CO 0.00 -1.01 0.14 0.00 1.20 0.00 0.00 173.24 173.58 1cee n ALA 159 N -0.72 2.09 0.07 5.45 0.00 -1.26 -3.02 120.51 123.12 1cee n ALA 159 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 1cee n ALA 159 Cb 0.63 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 -0.14 0.00 0.00 7.12 -1.99 -3.32 115.31 116.98 1cee h LEU 160 Ca -0.14 -0.24 -0.30 0.00 0.13 0.00 0.00 57.88 57.32 1cee h LEU 160 Cb 1.08 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.19 1cee h LEU 160 CO 0.01 0.17 -1.92 0.41 -0.13 0.00 0.00 178.44 176.98 1cee n THR 161 N -5.03 1.49 -2.02 1.05 -1.04 -1.26 -4.99 114.28 102.48 1cee n THR 161 Ca -0.09 -0.81 -0.10 0.00 -2.04 0.00 0.00 64.05 61.02 1cee n THR 161 Cb 0.20 -0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.88 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 -2.93 -0.78 -1.99 -2.82 6.02 -1.17 -4.96 117.38 108.76 1cee n GLN 162 Ca -0.21 0.56 -0.42 0.00 -0.01 0.00 0.00 57.00 56.91 1cee n GLN 162 Cb 1.07 -4.59 -0.03 0.00 1.02 0.00 0.00 30.24 27.71 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 -4.19 4.19 -1.02 -1.09 2.47 -1.26 -2.39 119.74 116.45 1cee s LYS 163 Ca 0.00 2.23 -0.04 0.00 -1.56 0.00 0.00 55.97 56.60 1cee s LYS 163 Cb 0.00 -3.84 0.03 0.00 -1.46 0.00 0.00 37.83 32.56 1cee s LYS 163 CO 0.00 -0.79 0.20 0.41 0.16 0.00 0.00 175.35 175.32 1cee n GLY 164 N 4.07 -0.49 0.32 5.54 0.00 -1.26 -3.77 105.19 109.59 1cee n GLY 164 Ca 0.17 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.39 1.08 0.10 0.99 5.85 -1.73 -2.99 115.31 118.22 1cee h LEU 165 Ca -0.31 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 57.96 1cee h LEU 165 Cb 1.22 -0.29 0.02 0.00 0.37 0.00 0.00 40.66 41.98 1cee h LEU 165 CO 0.38 1.07 -0.79 0.50 -0.34 0.00 0.00 178.44 179.26 1cee h LYS 166 N 1.05 0.36 -0.61 1.25 3.64 -1.88 -3.34 116.57 117.04 1cee h LYS 166 Ca 0.20 -0.52 0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1cee h LYS 166 Cb 0.45 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 1cee h LYS 166 CO 0.01 1.21 0.11 -0.91 -2.27 0.00 0.00 179.45 177.61 1cee h ASN 167 N -0.23 -0.04 0.00 4.20 4.21 -1.95 -2.04 115.58 119.74 1cee h ASN 167 Ca -0.13 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1cee h ASN 167 Cb 1.57 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.94 1cee h ASN 167 CO 0.15 -0.01 0.00 0.52 -1.29 0.00 0.00 177.43 176.80 1cee n VAL 168 N -5.15 0.00 -0.22 2.81 0.31 -1.13 0.05 118.33 115.00 1cee n VAL 168 Ca 0.09 1.43 0.02 0.00 -0.01 0.00 0.00 64.34 65.87 1cee n VAL 168 Cb 0.33 -2.08 0.14 0.00 -0.91 0.00 0.00 33.84 31.32 1cee n VAL 168 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1cee h PHE 169 N 0.00 0.36 -0.60 3.52 0.04 -1.70 0.38 116.94 118.93 1cee h PHE 169 Ca 0.00 0.03 0.17 0.00 2.80 0.00 0.00 57.97 60.97 1cee h PHE 169 Cb 0.00 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1cee h PHE 169 CO -0.49 0.03 0.43 -0.44 -0.60 0.00 0.00 178.31 177.24 1cee h ASP 170 N 0.36 0.06 0.87 2.17 3.32 -0.77 0.26 116.42 122.68 1cee h ASP 170 Ca 0.35 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.17 1cee h ASP 170 Cb 0.51 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1cee h ASP 170 CO -0.39 0.03 -1.17 -0.33 -1.72 0.00 0.00 179.24 175.66 1cee h GLU 171 N 0.06 0.00 0.14 3.56 3.07 0.36 -3.13 114.58 118.64 1cee h GLU 171 Ca 0.29 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1cee h GLU 171 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1cee h GLU 171 CO -0.02 0.88 -0.06 0.00 -1.40 0.00 0.00 179.01 178.41 1cee h ALA 172 N 0.99 -0.74 -0.64 3.43 0.00 0.14 -2.07 119.26 120.37 1cee h ALA 172 Ca -0.08 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1cee h ALA 172 Cb 1.83 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.57 1cee h ALA 172 CO 0.12 -0.73 -0.37 0.82 0.00 0.00 0.00 179.25 179.09 1cee h ILE 173 N -0.24 0.12 -0.99 0.00 2.04 -1.46 1.59 117.51 118.57 1cee h ILE 173 Ca -0.02 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.13 1cee h ILE 173 Cb 0.14 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1cee h ILE 173 CO 0.03 0.00 0.73 0.25 0.00 0.00 0.00 178.15 179.16 1cee h LEU 174 N -0.16 0.00 0.03 1.44 5.85 -1.62 -0.64 115.31 120.21 1cee h LEU 174 Ca 0.23 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.67 1cee h LEU 174 Cb 0.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1cee h LEU 174 CO -0.73 0.00 -1.52 0.00 -0.34 0.00 0.00 178.44 175.85 1cee n ALA 175 N -2.70 0.84 -0.31 1.25 0.00 0.41 -4.19 120.51 115.81 1cee n ALA 175 Ca 0.21 -0.56 0.24 0.00 0.00 0.00 0.00 53.44 53.33 1cee n ALA 175 Cb 1.07 -0.54 0.54 0.00 0.00 0.00 0.00 19.45 20.52 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 -0.40 2.33 -3.44 0.00 0.00 0.27 -3.41 119.26 114.60 1cee h ALA 176 Ca -0.39 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1cee h ALA 176 Cb 1.49 0.03 0.04 0.00 0.00 0.00 0.00 17.79 19.35 1cee h ALA 176 CO -0.16 -0.71 0.08 1.28 0.00 0.00 0.00 179.25 179.74 1cee n LEU 177 N -4.57 0.00 -3.47 0.00 4.77 -0.34 -4.53 117.00 108.86 1cee n LEU 177 Ca 0.25 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1cee n LEU 177 Cb 0.90 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1cee n LEU 177 CO 0.28 -0.70 0.49 -1.83 -1.33 0.00 0.00 177.39 174.30 1cee s GLU 178 N -3.52 1.18 0.00 3.23 -1.05 -1.26 -4.99 118.70 112.29 1cee s GLU 178 Ca 0.17 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1cee s GLU 178 Cb -0.01 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1cee s GLU 178 CO 0.12 -0.52 0.09 -0.35 0.95 0.00 0.00 175.26 175.55