#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 1.23 -0.04 3.17 1.11 -1.26 -5.12 119.66 118.74 1cee s GLN 2 Ca 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 55.36 54.30 1cee s GLN 2 Cb 0.00 -1.41 0.02 0.00 -1.01 0.00 0.00 33.01 30.61 1cee s GLN 2 CO 0.00 0.34 0.10 0.99 0.01 0.00 0.00 175.29 176.74 1cee s THR 3 N -0.99 -0.02 -0.04 -0.19 2.01 -1.26 -2.97 115.64 112.18 1cee s THR 3 Ca 0.06 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.01 1cee s THR 3 Cb -0.09 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 1cee s THR 3 CO 0.03 0.03 0.36 -0.63 -0.69 0.00 0.00 174.62 173.73 1cee s ILE 4 N 0.50 5.13 -1.17 1.82 1.09 -1.14 -4.93 121.20 122.50 1cee s ILE 4 Ca -0.04 0.73 -0.04 0.00 -1.10 0.00 0.00 60.65 60.20 1cee s ILE 4 Cb -0.05 -3.67 0.23 0.00 -1.06 0.00 0.00 42.46 37.91 1cee s ILE 4 CO -0.02 0.55 1.98 0.29 -0.10 0.00 0.00 174.94 177.64 1cee n LYS 5 N 2.13 4.77 -2.87 2.79 4.76 -1.26 -1.29 118.16 127.19 1cee n LYS 5 Ca -0.14 -4.08 -0.42 0.00 -2.87 0.00 0.00 58.31 50.80 1cee n LYS 5 Cb 0.53 -2.59 -0.04 0.00 -1.84 0.00 0.00 35.03 31.08 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cee s VAL 7 N 3.15 0.90 0.07 0.00 1.01 -1.26 -1.98 120.40 122.28 1cee s VAL 7 Ca 0.35 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1cee s VAL 7 Cb -0.13 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1cee s VAL 7 CO 0.14 0.05 0.70 -0.69 0.00 0.00 0.00 175.10 175.29 1cee s VAL 8 N -0.65 4.69 -0.01 2.92 1.01 -0.26 -1.50 120.40 126.60 1cee s VAL 8 Ca 0.01 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.54 1cee s VAL 8 Cb -0.06 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1cee s VAL 8 CO 0.00 0.44 -0.18 0.68 0.00 0.00 0.00 175.10 176.05 1cee s VAL 9 N -0.51 1.43 0.00 2.92 -7.23 0.26 -3.93 120.40 113.35 1cee s VAL 9 Ca 0.35 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1cee s VAL 9 Cb -0.20 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1cee s VAL 9 CO 0.22 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 1cee n GLY 10 N 2.54 3.34 2.77 2.32 0.00 -1.26 -3.22 105.19 111.68 1cee n GLY 10 Ca -0.15 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 3.83 0.00 1.61 1.01 -1.26 -4.61 116.67 117.25 1cee s ASP 11 Ca 0.00 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1cee s ASP 11 Cb 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.04 1cee s ASP 11 CO 0.00 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1cee n GLY 12 N 4.84 -0.21 3.32 0.21 0.00 -1.26 -5.05 105.19 107.03 1cee n GLY 12 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.00 -1.09 0.00 4.61 0.00 -1.26 -5.00 121.76 118.01 1cee s ALA 13 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1cee s ALA 13 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1cee s ALA 13 CO 0.00 -0.22 0.00 1.33 0.00 0.00 0.00 175.76 176.87 1cee n VAL 14 N 3.22 0.00 -2.60 0.00 0.24 -1.26 -4.61 118.33 113.32 1cee n VAL 14 Ca -0.16 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 1cee n VAL 14 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.60 0.07 7.63 0.00 -1.26 -4.95 105.19 106.07 1cee n GLY 15 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.70 0.00 0.00 1.61 -0.00 -1.99 -3.14 116.57 113.76 1cee h LYS 16 Ca -0.35 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.11 1cee h LYS 16 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.36 1cee h LYS 16 CO -0.13 0.95 -0.89 1.15 -0.00 0.00 0.00 179.45 180.53 1cee h THR 17 N 0.00 1.64 -0.01 0.07 2.02 -1.99 -2.44 112.91 112.20 1cee h THR 17 Ca -0.01 -3.05 -0.15 0.00 0.77 0.00 0.00 66.41 63.97 1cee h THR 17 Cb 1.72 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 70.76 1cee h THR 17 CO 0.12 0.87 -0.71 0.00 0.37 0.00 0.00 175.52 176.18 1cee h LEU 19 N 0.03 0.48 -0.70 0.00 6.46 -1.57 -3.13 115.31 116.87 1cee h LEU 19 Ca -0.01 -0.62 0.11 0.00 -0.12 0.00 0.00 57.88 57.24 1cee h LEU 19 Cb 1.25 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.94 1cee h LEU 19 CO 0.10 1.51 0.30 -0.07 -0.62 0.00 0.00 178.44 179.65 1cee h LEU 20 N 0.08 0.32 -0.35 2.25 3.38 -1.47 0.72 115.31 120.24 1cee h LEU 20 Ca -0.24 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1cee h LEU 20 Cb 2.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 1cee h LEU 20 CO 0.18 0.16 -0.18 0.40 0.09 0.00 0.00 178.44 179.09 1cee h ILE 21 N 0.48 1.29 0.00 1.22 1.08 -1.66 -2.90 117.51 117.02 1cee h ILE 21 Ca 0.36 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1cee h ILE 21 Cb 0.48 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1cee h ILE 21 CO -0.34 0.43 0.00 -1.54 -0.69 0.00 0.00 178.15 176.02 1cee n SER 22 N -4.30 0.00 0.09 1.72 3.41 -0.62 -1.69 113.62 112.23 1cee n SER 22 Ca -0.02 -0.01 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1cee n SER 22 Cb 0.41 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.00 0.00 7.33 3.20 0.63 -2.31 116.97 125.82 1cee h TYR 23 Ca 0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1cee h TYR 23 Cb 0.31 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1cee h TYR 23 CO 0.00 0.16 -1.84 0.25 -1.64 0.00 0.00 178.16 175.10 1cee n THR 24 N -2.76 0.84 0.09 1.81 -2.24 -1.18 -4.68 114.28 106.16 1cee n THR 24 Ca -0.02 -0.47 0.01 0.00 -2.27 0.00 0.00 64.05 61.29 1cee n THR 24 Cb 0.63 -0.76 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cee n THR 25 N -2.56 0.00 -1.98 4.28 -2.24 -0.68 -4.98 114.28 106.12 1cee n THR 25 Ca -0.21 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 1cee n THR 25 Cb 0.87 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.03 -4.58 -4.30 3.42 5.15 -0.87 -4.94 115.26 109.10 1cee n ASN 26 Ca 0.01 0.24 -0.34 0.00 -0.60 0.00 0.00 54.58 53.89 1cee n ASN 26 Cb 0.05 -3.99 -0.14 0.00 -0.53 0.00 0.00 39.78 35.17 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 -4.26 3.34 -0.45 1.20 2.36 -1.26 -4.93 119.74 115.75 1cee s LYS 27 Ca 0.00 -0.66 -0.28 0.00 -2.55 0.00 0.00 55.97 52.48 1cee s LYS 27 Cb 0.00 -2.89 0.03 0.00 -1.05 0.00 0.00 37.83 33.92 1cee s LYS 27 CO 0.00 -0.11 1.07 0.12 1.55 0.00 0.00 175.35 177.98 1cee s PHE 28 N 1.21 2.89 0.00 4.03 2.19 -1.26 -3.28 117.98 123.76 1cee s PHE 28 Ca 0.02 0.70 0.00 0.00 0.33 0.00 0.00 56.93 57.98 1cee s PHE 28 Cb -0.14 -4.20 0.00 0.00 -1.31 0.00 0.00 43.02 37.36 1cee s PHE 28 CO -0.03 -1.15 0.00 -0.35 1.83 0.00 0.00 175.22 175.52 1cee n PRO 29 N 7.52 -0.66 0.00 10.12 -0.04 -1.26 -5.02 135.00 145.65 1cee n PRO 29 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 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 -1.69 0.00 -4.30 3.54 2.88 -1.26 -5.15 113.62 107.64 1cee n SER 30 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1cee n SER 30 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.78 -1.43 -1.25 -1.46 2.13 -1.26 -5.03 120.64 111.56 1cee n GLU 31 Ca 0.00 -0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.42 1cee n GLU 31 Cb 0.00 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1cee n GLU 31 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1cee n TYR 32 N -4.32 -1.36 -4.02 4.31 9.36 -1.26 -4.76 117.16 115.11 1cee n TYR 32 Ca 0.02 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.96 1cee n TYR 32 Cb 0.61 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.29 1cee n TYR 32 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1cee n VAL 33 N -0.45 -2.56 -2.27 2.97 0.31 -1.26 -4.96 118.33 110.11 1cee n VAL 33 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1cee n VAL 33 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 1cee n VAL 33 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1cee n PRO 34 N -4.42 0.86 0.00 5.55 -0.04 -1.26 -4.97 135.00 130.72 1cee n PRO 34 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1cee n PRO 34 Cb 0.65 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.11 1cee n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1cee n THR 35 N -1.18 0.00 0.00 0.52 -1.04 -1.26 -4.93 114.28 106.39 1cee n THR 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cee n THR 35 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1cee n THR 35 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cee n VAL 36 N 0.00 0.00 -2.90 12.58 0.31 -1.26 -4.28 118.33 122.78 1cee n VAL 36 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1cee n VAL 36 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.69 -0.23 3.52 5.36 -1.26 -2.45 117.98 122.23 1cee s PHE 37 Ca 0.00 0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 56.03 1cee s PHE 37 Cb 0.00 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.77 1cee s PHE 37 CO 0.00 -0.46 0.09 -0.51 -1.46 0.00 0.00 175.22 172.88 1cee s ASP 38 N 2.05 5.44 -0.28 6.13 1.01 -1.26 -4.95 116.67 124.80 1cee s ASP 38 Ca 0.16 -0.09 -0.09 0.00 0.71 0.00 0.00 52.55 53.24 1cee s ASP 38 Cb 0.01 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 1cee s ASP 38 CO -0.14 0.02 0.12 0.21 0.21 0.00 0.00 175.17 175.59 1cee s ASN 39 N 1.28 5.41 0.27 0.27 3.04 -1.26 -3.32 114.94 120.62 1cee s ASN 39 Ca 0.05 -0.36 0.06 0.00 0.04 0.00 0.00 52.86 52.65 1cee s ASN 39 Cb -0.15 -1.98 -0.06 0.00 -1.54 0.00 0.00 41.25 37.53 1cee s ASN 39 CO 0.04 -0.12 -0.06 -0.31 -3.04 0.00 0.00 177.10 173.62 1cee s TYR 40 N 1.62 1.92 -0.06 0.43 2.02 -0.99 -5.04 117.35 117.25 1cee s TYR 40 Ca 0.05 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1cee s TYR 40 Cb -0.16 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1cee s TYR 40 CO 0.05 0.26 0.04 0.00 -1.57 0.00 0.00 175.55 174.34 1cee s ALA 41 N -3.04 0.41 -0.09 3.71 0.00 -1.26 -1.95 121.76 119.54 1cee s ALA 41 Ca 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1cee s ALA 41 Cb 0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1cee s ALA 41 CO 0.12 -0.52 0.02 0.08 0.00 0.00 0.00 175.76 175.45 1cee s VAL 42 N 2.10 4.43 -0.39 0.00 1.01 -1.00 -4.94 120.40 121.61 1cee s VAL 42 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1cee s VAL 42 Cb -0.12 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1cee s VAL 42 CO -0.04 0.60 0.24 -0.89 0.00 0.00 0.00 175.10 175.01 1cee s THR 43 N -0.84 4.77 0.22 3.92 2.01 -1.26 0.83 115.64 125.29 1cee s THR 43 Ca 0.13 -0.82 0.11 0.00 0.31 0.00 0.00 61.69 61.41 1cee s THR 43 Cb -0.11 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1cee s THR 43 CO 0.02 -0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.79 1cee s VAL 44 N 1.59 2.22 -0.91 3.82 1.01 -1.05 -4.93 120.40 122.14 1cee s VAL 44 Ca 0.03 -2.16 -0.16 0.00 0.00 0.00 0.00 61.98 59.68 1cee s VAL 44 Cb -0.19 -2.12 0.17 0.00 0.00 0.00 0.00 36.38 34.24 1cee s VAL 44 CO 0.08 -0.31 1.01 -0.04 0.00 0.00 0.00 175.10 175.84 1cee s MET 45 N -3.09 3.65 -0.19 2.72 -1.94 -1.26 -0.23 119.30 118.96 1cee s MET 45 Ca 0.23 -2.11 -0.09 0.00 -1.71 0.00 0.00 55.69 52.01 1cee s MET 45 Cb -0.06 -4.73 -0.05 0.00 2.01 0.00 0.00 34.83 32.00 1cee s MET 45 CO 0.11 -1.58 0.12 0.42 -0.01 0.00 0.00 175.02 174.08 1cee s ILE 46 N 1.56 5.30 -1.99 2.53 1.01 -0.62 -4.30 121.20 124.69 1cee s ILE 46 Ca 0.28 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1cee s ILE 46 Cb -0.07 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1cee s ILE 46 CO -0.09 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1cee n GLY 47 N 3.30 1.79 1.79 6.18 0.00 -1.26 -2.06 105.19 114.93 1cee n GLY 47 Ca -0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.67 0.64 3.31 -0.02 0.00 -1.26 -5.06 105.19 102.13 1cee n GLY 48 Ca -0.19 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.63 0.95 -0.41 1.61 0.41 -0.88 -5.12 118.70 110.63 1cee s GLU 49 Ca 0.02 -0.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.81 1cee s GLU 49 Cb -0.01 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.76 1cee s GLU 49 CO 0.02 -0.34 1.53 -1.25 -0.49 0.00 0.00 175.26 174.74 1cee s PRO 50 N -2.86 3.45 0.50 0.39 0.04 -1.26 -1.59 135.00 133.67 1cee s PRO 50 Ca -0.03 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.06 1cee s PRO 50 Cb 0.00 -4.09 0.04 0.00 0.04 0.00 0.00 34.50 30.48 1cee s PRO 50 CO -0.05 -1.72 0.30 0.66 0.04 0.00 0.00 177.00 176.22 1cee n TYR 51 N 9.43 -0.28 -3.55 0.56 4.02 0.69 -4.70 117.16 123.32 1cee n TYR 51 Ca 0.18 -2.19 -0.22 0.00 -0.01 0.00 0.00 57.90 55.66 1cee n TYR 51 Cb 0.48 -0.39 -0.15 0.00 -0.02 0.00 0.00 39.34 39.26 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 -2.56 -0.22 -0.18 -0.72 2.01 -1.16 -2.55 115.64 110.27 1cee s THR 52 Ca 0.23 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1cee s THR 52 Cb -0.02 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 1cee s THR 52 CO 0.14 -0.23 1.11 -0.22 -0.69 0.00 0.00 174.62 174.73 1cee s LEU 53 N 2.24 4.16 -0.68 4.42 1.98 0.24 -2.87 118.68 128.18 1cee s LEU 53 Ca 0.05 1.53 -0.27 0.00 -2.89 0.00 0.00 54.13 52.54 1cee s LEU 53 Cb -0.16 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.17 1cee s LEU 53 CO -0.11 -0.65 1.37 -0.83 -1.89 0.00 0.00 176.35 174.24 1cee s GLY 54 N 1.42 0.82 -0.36 7.98 0.00 -0.41 -2.39 107.32 114.39 1cee s GLY 54 Ca 0.49 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 1cee s GLY 54 CO 0.12 2.76 0.87 1.08 0.00 0.00 0.00 173.10 177.93 1cee s LEU 55 N 6.15 4.04 -0.06 0.66 1.43 -0.82 -2.67 118.68 127.41 1cee s LEU 55 Ca 0.43 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1cee s LEU 55 Cb -0.09 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.97 1cee s LEU 55 CO 0.19 -0.79 -0.08 -0.36 0.23 0.00 0.00 176.35 175.53 1cee s PHE 56 N 3.31 1.09 -0.05 0.29 0.40 -0.84 -2.36 117.98 119.83 1cee s PHE 56 Ca 0.36 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 1cee s PHE 56 Cb -0.13 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1cee s PHE 56 CO 0.17 -0.24 -0.19 0.34 0.70 0.00 0.00 175.22 176.01 1cee s ASP 57 N 0.84 3.64 0.18 1.36 2.15 -1.21 -1.10 116.67 122.52 1cee s ASP 57 Ca -0.12 -0.32 0.11 0.00 0.43 0.00 0.00 52.55 52.65 1cee s ASP 57 Cb -0.15 -0.78 -0.04 0.00 -0.30 0.00 0.00 42.92 41.65 1cee s ASP 57 CO 0.01 0.31 -0.22 0.42 -0.17 0.00 0.00 175.17 175.52 1cee s THR 58 N -0.53 2.46 0.69 1.71 -4.23 -1.25 -4.03 115.64 110.46 1cee s THR 58 Ca 0.07 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 1cee s THR 58 Cb -0.11 -2.17 0.16 0.00 1.34 0.00 0.00 72.50 71.71 1cee s THR 58 CO 0.01 -0.08 0.92 0.00 -0.54 0.00 0.00 174.62 174.92 1cee n ALA 59 N 0.34 -1.14 -1.00 3.99 0.00 -1.03 -4.64 120.51 117.04 1cee n ALA 59 Ca -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1cee n ALA 59 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1cee n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cee n GLY 60 N -1.11 -2.97 0.74 0.00 0.00 -1.26 -4.84 105.19 95.74 1cee n GLY 60 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1cee n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLN 61 N 0.00 0.00 -0.00 1.61 -0.00 -1.26 -4.83 117.38 112.89 1cee n GLN 61 Ca 0.00 -0.63 -0.01 0.00 -0.00 0.00 0.00 57.00 56.36 1cee n GLN 61 Cb 0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 30.24 30.30 1cee n GLN 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1cee n GLU 62 N 0.05 0.02 0.11 2.61 0.28 -1.26 -4.47 120.64 117.98 1cee n GLU 62 Ca -0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 56.92 1cee n GLU 62 Cb 0.65 -0.67 -0.02 0.00 1.43 0.00 0.00 31.44 32.83 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1cee h ASP 63 N -0.03 0.00 -0.63 -1.84 3.32 -1.98 -3.15 116.42 112.12 1cee h ASP 63 Ca -0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1cee h ASP 63 Cb 1.02 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1cee h ASP 63 CO -0.01 0.73 0.08 -1.22 -1.72 0.00 0.00 179.24 177.10 1cee n TYR 64 N -3.32 2.20 0.16 4.55 4.02 -1.26 -4.48 117.16 119.03 1cee n TYR 64 Ca 0.01 -0.86 0.14 0.00 -0.01 0.00 0.00 57.90 57.18 1cee n TYR 64 Cb 0.81 -0.57 0.70 0.00 -0.02 0.00 0.00 39.34 40.27 1cee n TYR 64 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1cee h ASP 65 N 3.59 0.00 0.00 7.72 1.82 -1.77 0.41 116.42 128.20 1cee h ASP 65 Ca 0.08 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.39 1cee h ASP 65 Cb 2.09 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 42.05 1cee h ASP 65 CO 0.57 0.00 -1.83 0.54 -1.61 0.00 0.00 179.24 176.92 1cee n ARG 66 N -4.32 0.58 -0.95 0.28 5.12 -1.26 -4.38 116.66 111.73 1cee n ARG 66 Ca 0.02 0.43 -0.19 0.00 -1.93 0.00 0.00 57.85 56.19 1cee n ARG 66 Cb 0.32 -1.64 0.13 0.00 -1.16 0.00 0.00 32.46 30.11 1cee n ARG 66 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1cee n LEU 67 N -4.31 5.94 0.37 0.55 -0.00 -1.16 -4.57 117.00 113.82 1cee n LEU 67 Ca -0.42 -3.16 -0.16 0.00 -0.00 0.00 0.00 56.01 52.28 1cee n LEU 67 Cb 0.78 -0.78 -0.08 0.00 -0.00 0.00 0.00 43.42 43.35 1cee n LEU 67 CO 0.13 0.95 0.49 -0.09 -0.00 0.00 0.00 177.39 178.87 1cee h ARG 68 N 0.83 -0.91 0.00 1.47 2.43 -0.37 -3.01 114.38 114.82 1cee h ARG 68 Ca 0.49 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1cee h ARG 68 Cb 2.33 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 32.09 1cee h ARG 68 CO 0.87 -0.58 0.00 -0.35 -1.51 0.00 0.00 179.97 178.40 1cee n PRO 69 N -5.43 0.07 0.06 0.20 -0.04 -1.26 -2.40 135.00 126.20 1cee n PRO 69 Ca -0.13 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1cee n PRO 69 Cb 0.39 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.81 1cee n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cee n LEU 70 N -1.38 0.35 -1.61 1.53 4.32 -1.14 -3.00 117.00 116.07 1cee n LEU 70 Ca 0.03 0.56 0.10 0.00 -0.02 0.00 0.00 56.01 56.68 1cee n LEU 70 Cb 0.09 -0.47 0.36 0.00 -1.62 0.00 0.00 43.42 41.78 1cee n LEU 70 CO 0.08 -0.24 0.82 -1.20 -1.22 0.00 0.00 177.39 175.64 1cee n SER 71 N -1.85 4.79 -2.78 -1.43 7.64 -1.01 -4.39 113.62 114.59 1cee n SER 71 Ca 0.05 -2.42 -0.01 0.00 1.01 0.00 0.00 58.87 57.49 1cee n SER 71 Cb 0.29 -0.58 0.07 0.00 -1.01 0.00 0.00 64.21 62.98 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 1.21 0.47 -0.29 1.43 4.01 -1.16 -4.93 117.16 117.90 1cee n TYR 72 Ca 0.26 -2.11 0.11 0.00 -0.16 0.00 0.00 57.90 56.00 1cee n TYR 72 Cb 0.89 0.17 0.23 0.00 -0.31 0.00 0.00 39.34 40.32 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cee n PRO 73 N -0.74 -0.07 -2.69 -0.72 -0.02 -1.26 -3.23 135.00 126.27 1cee n PRO 73 Ca 0.02 1.25 -0.05 0.00 -2.02 0.00 0.00 63.50 62.70 1cee n PRO 73 Cb 0.82 -1.97 0.12 0.00 -0.02 0.00 0.00 33.50 32.44 1cee n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cee n GLN 74 N -5.21 1.26 -1.41 -0.52 7.27 -1.26 -5.14 117.38 112.36 1cee n GLN 74 Ca 0.19 -1.73 -0.37 0.00 0.07 0.00 0.00 57.00 55.15 1cee n GLN 74 Cb 0.61 0.02 0.05 0.00 2.41 0.00 0.00 30.24 33.33 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 -0.87 2.36 -0.00 1.69 -1.04 -1.20 -4.80 114.28 110.42 1cee n THR 75 Ca -0.07 -0.46 -0.02 0.00 -2.04 0.00 0.00 64.05 61.46 1cee n THR 75 Cb 0.86 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.57 1cee n THR 75 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1cee n ASP 76 N -0.05 0.70 -4.95 8.00 -0.08 -0.98 -4.99 116.55 114.20 1cee n ASP 76 Ca 0.11 0.10 -0.20 0.00 -1.51 0.00 0.00 54.79 53.30 1cee n ASP 76 Cb 0.48 -0.34 0.05 0.00 2.34 0.00 0.00 41.12 43.65 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1cee s VAL 77 N -1.66 2.48 -0.08 5.18 0.11 -1.25 -2.20 120.40 122.98 1cee s VAL 77 Ca -0.06 -0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 1cee s VAL 77 Cb 0.01 -2.62 0.05 0.00 -1.53 0.00 0.00 36.38 32.29 1cee s VAL 77 CO 0.08 0.00 0.15 -0.36 -3.33 0.00 0.00 175.10 171.64 1cee s PHE 78 N -2.69 -0.15 -0.54 1.54 0.08 -0.89 -4.15 117.98 111.18 1cee s PHE 78 Ca 0.60 0.57 -0.21 0.00 0.12 0.00 0.00 56.93 58.00 1cee s PHE 78 Cb -0.08 -0.29 0.05 0.00 -0.57 0.00 0.00 43.02 42.14 1cee s PHE 78 CO 0.38 -0.27 0.79 -0.51 -0.10 0.00 0.00 175.22 175.52 1cee s LEU 79 N 2.28 4.58 -0.71 -0.37 1.02 -0.56 0.14 118.68 125.05 1cee s LEU 79 Ca 0.03 -0.72 -0.17 0.00 0.02 0.00 0.00 54.13 53.29 1cee s LEU 79 Cb -0.12 -2.59 0.15 0.00 0.02 0.00 0.00 46.19 43.65 1cee s LEU 79 CO -0.05 -1.09 0.76 -0.69 0.02 0.00 0.00 176.35 175.29 1cee s VAL 80 N 3.31 5.12 -0.43 -1.59 1.01 -0.25 0.90 120.40 128.47 1cee s VAL 80 Ca 0.22 -1.64 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 1cee s VAL 80 Cb -0.17 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1cee s VAL 80 CO 0.14 -1.12 0.81 0.00 0.00 0.00 0.00 175.10 174.94 1cee s PHE 82 N 3.34 2.53 -0.54 0.00 -0.71 -0.83 -4.85 117.98 116.93 1cee s PHE 82 Ca 0.31 -0.26 -0.23 0.00 -1.04 0.00 0.00 56.93 55.71 1cee s PHE 82 Cb -0.12 -1.16 0.04 0.00 -1.21 0.00 0.00 43.02 40.57 1cee s PHE 82 CO 0.22 0.60 0.90 -1.12 -1.34 0.00 0.00 175.22 174.48 1cee s SER 83 N -3.29 6.33 0.52 1.98 0.01 -1.26 -1.77 113.70 116.22 1cee s SER 83 Ca 0.28 -0.41 0.24 0.00 1.31 0.00 0.00 55.95 57.38 1cee s SER 83 Cb -0.07 -2.42 1.36 0.00 0.21 0.00 0.00 66.02 65.10 1cee s SER 83 CO 0.16 -1.17 1.99 0.58 0.41 0.00 0.00 173.24 175.21 1cee h VAL 84 N 6.00 0.74 -0.79 3.43 2.07 -1.75 -0.59 116.25 125.36 1cee h VAL 84 Ca -0.26 -0.01 -0.53 0.00 0.82 0.00 0.00 66.70 66.71 1cee h VAL 84 Cb 1.08 0.70 -0.23 0.00 -1.52 0.00 0.00 31.29 31.32 1cee h VAL 84 CO 1.07 0.01 0.69 1.33 0.02 0.00 0.00 177.57 180.69 1cee n VAL 85 N -4.39 3.29 -3.21 2.57 0.24 -1.26 -0.10 118.33 115.47 1cee n VAL 85 Ca 0.10 -2.41 -0.01 0.00 -2.04 0.00 0.00 64.34 59.98 1cee n VAL 85 Cb 0.59 -1.23 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.00 -0.89 0.41 -1.34 0.15 -0.23 -4.80 113.70 105.99 1cee s SER 86 Ca 0.51 -0.07 0.17 0.00 0.70 0.00 0.00 55.95 57.26 1cee s SER 86 Cb 0.40 1.69 1.07 0.00 -1.71 0.00 0.00 66.02 67.47 1cee s SER 86 CO -0.01 -0.31 1.83 -0.65 1.20 0.00 0.00 173.24 175.30 1cee h PRO 87 N 8.01 0.41 -0.58 5.44 0.11 -1.81 -0.68 132.00 142.90 1cee h PRO 87 Ca -0.03 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.12 1cee h PRO 87 Cb 1.16 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1cee h PRO 87 CO 0.19 0.27 0.26 1.03 -0.21 0.00 0.00 178.00 179.54 1cee h SER 88 N 0.43 0.33 -0.49 -2.05 0.87 -1.94 0.57 113.55 111.26 1cee h SER 88 Ca 0.51 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1cee h SER 88 Cb 1.24 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1cee h SER 88 CO -0.21 0.22 0.29 0.28 -0.53 0.00 0.00 176.83 176.88 1cee h SER 89 N 0.49 0.60 -0.74 6.23 0.02 -1.40 -0.95 113.55 117.79 1cee h SER 89 Ca 0.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1cee h SER 89 Cb 0.25 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1cee h SER 89 CO -0.23 0.48 0.43 0.15 -1.14 0.00 0.00 176.83 176.53 1cee h PHE 90 N 0.66 1.00 0.22 3.45 3.57 -1.19 1.37 116.94 126.02 1cee h PHE 90 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1cee h PHE 90 Cb 0.00 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.42 1cee h PHE 90 CO -0.03 0.68 -0.11 0.93 -2.23 0.00 0.00 178.31 177.56 1cee h GLU 91 N 1.04 -0.29 -0.50 1.11 5.08 -0.39 -3.01 114.58 117.61 1cee h GLU 91 Ca 0.27 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1cee h GLU 91 Cb -0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1cee h GLU 91 CO -0.05 0.02 -0.17 -0.91 -1.00 0.00 0.00 179.01 176.90 1cee h ASN 92 N -0.62 1.02 -0.95 1.42 -0.26 -1.02 -2.48 115.58 112.68 1cee h ASN 92 Ca -0.03 -0.38 0.24 0.00 -0.56 0.00 0.00 56.30 55.57 1cee h ASN 92 Cb 0.45 -0.28 -0.18 0.00 -1.06 0.00 0.00 38.32 37.25 1cee h ASN 92 CO 0.05 1.17 -0.04 0.58 -1.06 0.00 0.00 177.43 178.13 1cee h VAL 93 N 0.87 0.07 0.00 2.81 2.07 0.18 1.53 116.25 123.78 1cee h VAL 93 Ca 0.12 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 1cee h VAL 93 Cb 0.75 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1cee h VAL 93 CO 0.06 0.00 -0.63 0.07 0.02 0.00 0.00 177.57 177.10 1cee h LYS 94 N 0.02 0.00 -2.02 1.57 2.10 -1.44 -3.14 116.57 113.67 1cee h LYS 94 Ca 0.54 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.67 1cee h LYS 94 Cb 1.03 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.96 1cee h LYS 94 CO -0.91 0.34 -1.11 0.39 -2.00 0.00 0.00 179.45 176.16 1cee n GLU 95 N -3.10 1.01 0.00 0.07 1.02 0.30 -4.72 120.64 115.22 1cee n GLU 95 Ca 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1cee n GLU 95 Cb 0.70 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cee n LYS 96 N 0.77 0.00 -0.01 3.49 4.76 0.44 -4.58 118.16 123.04 1cee n LYS 96 Ca 0.24 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.55 1cee n LYS 96 Cb 0.58 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.67 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1cee h TRP 97 N 0.00 -0.04 0.43 2.13 4.06 -1.50 -2.98 115.95 118.04 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 0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1cee h TRP 97 CO 0.00 0.56 -0.21 0.28 -3.56 0.00 0.00 178.44 175.52 1cee h VAL 98 N -0.70 0.03 -0.48 1.49 2.07 -1.78 -3.24 116.25 113.65 1cee h VAL 98 Ca -0.00 -0.59 0.14 0.00 0.82 0.00 0.00 66.70 67.07 1cee h VAL 98 Cb 0.62 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1cee h VAL 98 CO 0.01 0.01 0.59 1.55 0.02 0.00 0.00 177.57 179.75 1cee h PRO 99 N -1.15 0.00 -0.61 1.57 0.13 -1.85 0.32 132.00 130.42 1cee h PRO 99 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1cee h PRO 99 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1cee h PRO 99 CO 0.10 0.00 0.27 0.93 -0.23 0.00 0.00 178.00 179.07 1cee h GLU 100 N 0.00 0.87 0.15 0.86 4.39 -1.54 -2.48 114.58 116.83 1cee h GLU 100 Ca 0.23 -0.12 -0.29 0.00 0.34 0.00 0.00 59.36 59.52 1cee h GLU 100 Cb 1.41 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1cee h GLU 100 CO -0.00 0.69 -1.41 0.82 -1.16 0.00 0.00 179.01 177.95 1cee h ILE 101 N 0.86 1.11 -0.58 3.13 5.03 -0.50 -3.33 117.51 123.23 1cee h ILE 101 Ca 0.21 -2.48 0.17 0.00 -0.12 0.00 0.00 64.86 62.64 1cee h ILE 101 Cb 0.13 2.84 -0.02 0.00 -3.03 0.00 0.00 36.82 36.73 1cee h ILE 101 CO -0.02 0.76 0.51 0.71 -0.68 0.00 0.00 178.15 179.42 1cee h THR 102 N -0.17 0.48 0.00 -0.27 1.35 -1.25 1.28 112.91 114.33 1cee h THR 102 Ca -0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1cee h THR 102 Cb 1.87 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1cee h THR 102 CO 0.13 0.00 -0.18 0.45 -0.25 0.00 0.00 175.52 175.67 1cee h HIS 103 N 0.00 0.00 0.00 4.73 3.86 -1.55 -2.87 115.15 119.32 1cee h HIS 103 Ca 0.28 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.32 1cee h HIS 103 Cb 1.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.72 1cee h HIS 103 CO 0.00 0.18 -1.62 0.72 0.86 0.00 0.00 177.93 178.07 1cee n HIS 104 N -3.70 0.00 -3.30 2.45 -0.00 0.16 -4.91 115.22 105.92 1cee n HIS 104 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 1cee n HIS 104 Cb 0.30 -0.42 -0.08 0.00 -0.00 0.00 0.00 29.99 29.78 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 3.15 1.26 -0.06 0.00 -0.04 -1.08 -3.67 135.00 134.55 1cee n PRO 106 Ca 0.24 -0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 1cee n PRO 106 Cb 0.48 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.45 1.37 -1.69 0.54 0.00 -1.26 -4.98 118.16 111.69 1cee n LYS 107 Ca 0.17 0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 58.09 1cee n LYS 107 Cb 0.18 -1.30 -0.01 0.00 -0.00 0.00 0.00 35.03 33.90 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 -2.64 1.97 -1.46 0.58 -2.24 -1.24 -4.92 114.28 104.32 1cee n THR 108 Ca -0.22 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.70 1cee n THR 108 Cb 0.83 -1.54 0.07 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.60 0.62 -3.70 -0.78 -0.04 -0.93 -4.90 135.00 125.87 1cee n PRO 109 Ca 0.05 0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 63.48 1cee n PRO 109 Cb 0.36 -2.08 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 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 -1.70 1.14 0.07 0.54 0.08 -1.26 -2.09 117.98 114.76 1cee s PHE 110 Ca 0.73 -1.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1cee s PHE 110 Cb -0.38 -1.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1cee s PHE 110 CO 0.50 -0.74 1.07 -1.17 -0.10 0.00 0.00 175.22 174.78 1cee s LEU 111 N 1.82 4.41 -0.52 -0.37 1.98 0.37 -0.83 118.68 125.53 1cee s LEU 111 Ca 0.04 1.88 -0.15 0.00 -2.89 0.00 0.00 54.13 53.01 1cee s LEU 111 Cb -0.17 -3.58 0.12 0.00 0.66 0.00 0.00 46.19 43.22 1cee s LEU 111 CO -0.19 -0.29 0.47 -0.22 -1.89 0.00 0.00 176.35 174.23 1cee s LEU 112 N 0.59 6.05 -0.10 -0.68 2.96 -0.67 -1.09 118.68 125.75 1cee s LEU 112 Ca 0.53 -1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 52.56 1cee s LEU 112 Cb -0.26 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1cee s LEU 112 CO 0.30 -0.81 0.38 -0.69 -1.32 0.00 0.00 176.35 174.21 1cee s VAL 113 N 1.58 5.19 -0.24 1.68 1.01 -0.35 -0.81 120.40 128.47 1cee s VAL 113 Ca 0.03 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 1cee s VAL 113 Cb -0.29 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1cee s VAL 113 CO 0.03 0.44 -0.06 -0.83 0.00 0.00 0.00 175.10 174.68 1cee s GLY 114 N -0.02 1.62 0.48 4.51 0.00 -0.41 -1.96 107.32 111.53 1cee s GLY 114 Ca 0.22 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.62 1cee s GLY 114 CO 0.09 0.49 0.34 -1.59 0.00 0.00 0.00 173.10 172.42 1cee s THR 115 N 1.37 2.03 -0.27 0.90 2.01 -0.73 0.27 115.64 121.23 1cee s THR 115 Ca 0.02 -1.52 -0.01 0.00 0.31 0.00 0.00 61.69 60.49 1cee s THR 115 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1cee s THR 115 CO -0.04 0.00 0.23 1.67 -0.69 0.00 0.00 174.62 175.79 1cee n GLN 116 N -1.58 -0.75 0.05 4.92 -0.06 -1.26 -2.55 117.38 116.15 1cee n GLN 116 Ca -0.01 0.22 0.02 0.00 -2.00 0.00 0.00 57.00 55.23 1cee n GLN 116 Cb 0.64 -2.72 -0.06 0.00 -4.06 0.00 0.00 30.24 24.04 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 -0.31 0.47 -0.65 1.69 2.04 -1.89 -3.33 117.51 115.54 1cee h ILE 117 Ca -0.15 -1.89 0.12 0.00 1.00 0.00 0.00 64.86 63.94 1cee h ILE 117 Cb 1.08 2.01 -0.12 0.00 -0.74 0.00 0.00 36.82 39.04 1cee h ILE 117 CO 0.11 0.27 -0.25 0.44 0.00 0.00 0.00 178.15 178.72 1cee h ASP 118 N 0.00 -0.89 0.20 1.72 3.32 -1.94 -0.50 116.42 118.32 1cee h ASP 118 Ca -0.13 0.22 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 1cee h ASP 118 Cb 1.49 0.50 0.01 0.00 0.22 0.00 0.00 39.33 41.55 1cee h ASP 118 CO 0.04 -0.27 -0.98 -0.07 -1.72 0.00 0.00 179.24 176.24 1cee h LEU 119 N -0.08 0.69 -2.00 1.55 -0.00 -1.94 -3.18 115.31 110.35 1cee h LEU 119 Ca 0.29 -0.56 0.17 0.00 -0.00 0.00 0.00 57.88 57.79 1cee h LEU 119 Cb 0.53 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1cee h LEU 119 CO -0.70 1.36 0.45 -0.09 -0.00 0.00 0.00 178.44 179.46 1cee h ARG 120 N 0.30 0.00 -0.59 1.13 2.43 -1.26 0.59 114.38 116.97 1cee h ARG 120 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1cee h ARG 120 Cb 1.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1cee h ARG 120 CO 0.18 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.39 1cee n ASP 121 N -4.26 5.25 -3.92 -3.80 8.00 -0.35 -4.71 116.55 112.76 1cee n ASP 121 Ca 0.12 -2.73 -0.30 0.00 0.71 0.00 0.00 54.79 52.59 1cee n ASP 121 Cb 0.69 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1cee n ASP 121 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cee n ASP 122 N 0.79 3.42 -0.40 -2.24 8.00 0.21 -4.94 116.55 121.38 1cee n ASP 122 Ca 0.27 -3.21 0.33 0.00 0.71 0.00 0.00 54.79 52.88 1cee n ASP 122 Cb 1.06 -0.83 0.61 0.00 -0.02 0.00 0.00 41.12 41.93 1cee n ASP 122 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1cee h PRO 123 N 5.45 0.17 -0.45 -0.24 0.11 -1.84 0.82 132.00 136.01 1cee h PRO 123 Ca 0.16 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.31 1cee h PRO 123 Cb 0.76 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1cee h PRO 123 CO 0.77 0.11 0.30 1.03 -0.21 0.00 0.00 178.00 180.00 1cee h SER 124 N 0.17 0.34 0.05 -2.05 0.87 -1.93 0.12 113.55 111.12 1cee h SER 124 Ca 0.76 -0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.97 1cee h SER 124 Cb 2.26 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 64.10 1cee h SER 124 CO -0.39 0.23 -1.96 0.35 -0.53 0.00 0.00 176.83 174.52 1cee n THR 125 N -4.48 1.62 -0.19 2.23 -2.24 0.26 -3.06 114.28 108.42 1cee n THR 125 Ca 0.06 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1cee n THR 125 Cb 0.23 -1.80 0.09 0.00 -2.10 0.00 0.00 70.33 66.76 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 -0.44 0.60 0.00 2.28 2.04 -0.65 0.22 117.51 121.57 1cee h ILE 126 Ca -0.48 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 1cee h ILE 126 Cb 1.72 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1cee h ILE 126 CO -0.12 0.03 -0.52 -0.33 0.00 0.00 0.00 178.15 177.22 1cee h GLU 127 N 0.18 0.00 -0.43 2.37 4.39 -0.96 0.43 114.58 120.57 1cee h GLU 127 Ca 0.30 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1cee h GLU 127 Cb 0.45 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1cee h GLU 127 CO -0.43 0.52 0.10 -0.22 -1.16 0.00 0.00 179.01 177.82 1cee h LYS 128 N 0.00 0.69 0.00 2.33 3.64 -0.92 -3.24 116.57 119.08 1cee h LYS 128 Ca -0.01 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1cee h LYS 128 Cb 1.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1cee h LYS 128 CO 0.07 0.70 -1.89 1.47 -2.27 0.00 0.00 179.45 177.53 1cee n LEU 129 N -4.52 0.18 -0.17 5.20 -0.00 -0.56 -4.22 117.00 112.91 1cee n LEU 129 Ca 0.00 0.07 0.29 0.00 -0.00 0.00 0.00 56.01 56.37 1cee n LEU 129 Cb 0.21 0.09 0.63 0.00 -0.00 0.00 0.00 43.42 44.35 1cee n LEU 129 CO 0.39 0.08 1.26 0.00 -0.00 0.00 0.00 177.39 179.12 1cee h ALA 130 N 1.77 2.78 0.00 1.47 0.00 -0.80 0.29 119.26 124.77 1cee h ALA 130 Ca -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1cee h ALA 130 Cb 1.28 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1cee h ALA 130 CO 0.01 -1.39 -0.34 1.17 0.00 0.00 0.00 179.25 178.70 1cee n LYS 131 N -3.60 0.89 -0.02 0.00 0.00 -1.25 -4.73 118.16 109.45 1cee n LYS 131 Ca 0.20 -2.28 -0.02 0.00 0.00 0.00 0.00 58.31 56.21 1cee n LYS 131 Cb 1.22 -1.12 -0.03 0.00 0.00 0.00 0.00 35.03 35.11 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1cee n ASN 132 N -0.81 4.13 0.00 3.14 3.02 0.99 -5.01 115.26 120.71 1cee n ASN 132 Ca 0.12 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1cee n ASN 132 Cb 0.72 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 1cee n ASN 132 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1cee n LYS 133 N -2.14 0.00 -3.29 3.52 2.85 -0.99 -5.09 118.16 113.01 1cee n LYS 133 Ca -0.06 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.01 1cee n LYS 133 Cb 0.61 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.99 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cee s GLN 134 N 0.00 2.65 -0.29 -1.58 -0.21 -1.03 -5.03 119.66 114.16 1cee s GLN 134 Ca 0.00 -1.42 -0.21 0.00 0.02 0.00 0.00 55.36 53.75 1cee s GLN 134 Cb 0.00 -2.56 0.16 0.00 1.00 0.00 0.00 33.01 31.62 1cee s GLN 134 CO 0.00 -0.28 1.17 -1.59 -2.12 0.00 0.00 175.29 172.47 1cee s LYS 135 N -4.27 0.26 0.95 2.91 -2.85 -1.26 -2.98 119.74 112.50 1cee s LYS 135 Ca 0.52 0.37 -0.13 0.00 -1.00 0.00 0.00 55.97 55.72 1cee s LYS 135 Cb -0.06 0.09 0.16 0.00 -2.06 0.00 0.00 37.83 35.96 1cee s LYS 135 CO 0.31 -0.04 1.15 -1.25 0.10 0.00 0.00 175.35 175.62 1cee s PRO 136 N 0.64 0.81 -0.08 1.78 0.04 -1.26 -3.92 135.00 133.01 1cee s PRO 136 Ca -0.01 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1cee s PRO 136 Cb -0.04 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1cee s PRO 136 CO -0.12 -2.40 -0.08 0.42 0.04 0.00 0.00 177.00 174.86 1cee s ILE 137 N -3.31 3.59 0.50 0.56 -1.09 0.86 -4.96 121.20 117.36 1cee s ILE 137 Ca 0.66 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 58.40 1cee s ILE 137 Cb -0.13 -2.48 -0.08 0.00 -1.58 0.00 0.00 42.46 38.19 1cee s ILE 137 CO 0.54 0.58 0.96 0.42 -1.23 0.00 0.00 174.94 176.21 1cee s THR 138 N -0.54 4.55 0.51 2.92 -4.23 -1.26 -4.94 115.64 112.65 1cee s THR 138 Ca 0.08 1.17 0.27 0.00 -1.18 0.00 0.00 61.69 62.03 1cee s THR 138 Cb -0.12 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1cee s THR 138 CO 0.02 -0.66 2.16 1.55 -0.54 0.00 0.00 174.62 177.14 1cee h PRO 139 N 0.98 0.00 0.00 3.99 0.13 -2.00 -0.92 132.00 134.18 1cee h PRO 139 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1cee h PRO 139 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1cee h PRO 139 CO 0.62 0.06 -0.71 0.93 -0.23 0.00 0.00 178.00 178.67 1cee h GLU 140 N 0.00 0.00 -0.09 0.86 5.08 -2.00 -2.78 114.58 115.64 1cee h GLU 140 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1cee h GLU 140 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1cee h GLU 140 CO 0.01 0.71 -0.63 1.15 -1.00 0.00 0.00 179.01 179.25 1cee h THR 141 N 0.00 1.34 -0.45 1.13 2.02 -1.56 -2.96 112.91 112.43 1cee h THR 141 Ca -0.01 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 1cee h THR 141 Cb 1.46 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 70.06 1cee h THR 141 CO 0.09 0.59 0.03 0.00 0.37 0.00 0.00 175.52 176.60 1cee h ALA 142 N 0.47 0.60 -0.30 6.16 0.00 -1.47 -3.02 119.26 121.70 1cee h ALA 142 Ca -0.05 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1cee h ALA 142 Cb 1.28 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1cee h ALA 142 CO 0.13 0.36 -0.32 1.49 0.00 0.00 0.00 179.25 180.91 1cee h GLU 143 N 0.62 -0.29 -1.29 0.00 4.22 -1.54 0.44 114.58 116.75 1cee h GLU 143 Ca 0.13 0.02 0.37 0.00 0.08 0.00 0.00 59.36 59.96 1cee h GLU 143 Cb 0.45 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1cee h GLU 143 CO 0.02 -0.19 0.99 -0.22 -2.18 0.00 0.00 179.01 177.42 1cee h LYS 144 N -0.30 0.00 0.16 1.92 3.64 -1.39 1.10 116.57 121.71 1cee h LYS 144 Ca 0.14 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 1cee h LYS 144 Cb 0.53 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1cee h LYS 144 CO -0.47 0.00 -1.03 -0.07 -2.27 0.00 0.00 179.45 175.61 1cee h LEU 145 N 0.00 0.53 -2.05 5.20 3.38 -0.18 -2.21 115.31 119.98 1cee h LEU 145 Ca 0.61 -0.93 0.11 0.00 0.09 0.00 0.00 57.88 57.76 1cee h LEU 145 Cb 2.58 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 43.14 1cee h LEU 145 CO -0.01 1.49 0.37 0.00 0.09 0.00 0.00 178.44 180.38 1cee h ALA 146 N 0.08 2.15 0.05 1.53 0.00 0.32 0.96 119.26 124.33 1cee h ALA 146 Ca -0.19 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 1cee h ALA 146 Cb 1.76 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 1cee h ALA 146 CO 0.16 -0.57 -2.19 2.89 0.00 0.00 0.00 179.25 179.55 1cee n ARG 147 N -3.91 0.70 0.13 0.00 1.85 -0.38 0.85 116.66 115.90 1cee n ARG 147 Ca 0.07 0.19 -0.01 0.00 -1.00 0.00 0.00 57.85 57.10 1cee n ARG 147 Cb 0.55 -1.63 0.16 0.00 -1.05 0.00 0.00 32.46 30.49 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1cee h ASP 148 N 0.03 0.00 -0.50 2.89 3.58 -0.63 -2.94 116.42 118.84 1cee h ASP 148 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1cee h ASP 148 Cb 2.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.06 1cee h ASP 148 CO 0.02 0.63 0.00 0.18 -2.88 0.00 0.00 179.24 177.19 1cee n LEU 149 N -3.78 4.64 -1.53 2.28 4.77 0.32 -4.89 117.00 118.81 1cee n LEU 149 Ca -0.01 -2.35 -0.17 0.00 -0.03 0.00 0.00 56.01 53.45 1cee n LEU 149 Cb 0.63 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1cee n LEU 149 CO 0.42 0.61 -0.16 0.29 -1.33 0.00 0.00 177.39 177.22 1cee n LYS 150 N 0.65 -1.39 -1.97 3.23 5.02 -1.11 -4.89 118.16 117.69 1cee n LYS 150 Ca 0.23 0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 57.08 1cee n LYS 150 Cb 0.95 -5.31 -0.02 0.00 -0.02 0.00 0.00 35.03 30.63 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 -2.44 3.67 0.33 7.82 0.00 0.25 -4.49 121.76 126.90 1cee s ALA 151 Ca 0.00 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1cee s ALA 151 Cb 0.00 -3.58 0.72 0.00 0.00 0.00 0.00 23.12 20.26 1cee s ALA 151 CO 0.00 -0.78 1.88 -0.39 0.00 0.00 0.00 175.76 176.47 1cee h VAL 152 N 3.60 0.90 -1.54 0.00 -1.51 -1.19 -3.41 116.25 113.11 1cee h VAL 152 Ca -0.46 -0.28 0.24 0.00 -1.23 0.00 0.00 66.70 64.98 1cee h VAL 152 Cb 1.22 0.03 -0.19 0.00 -2.13 0.00 0.00 31.29 30.22 1cee h VAL 152 CO 0.80 0.15 0.79 -0.75 -1.23 0.00 0.00 177.57 177.33 1cee s LYS 153 N -5.77 0.34 -0.18 5.19 2.20 -1.26 -5.06 119.74 115.21 1cee s LYS 153 Ca -0.10 -0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 55.32 1cee s LYS 153 Cb 0.21 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1cee s LYS 153 CO 0.79 -0.15 0.03 -0.47 -0.36 0.00 0.00 175.35 175.19 1cee s TYR 154 N -2.47 3.15 0.34 4.03 5.04 -1.26 -1.66 117.35 124.52 1cee s TYR 154 Ca 0.09 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.67 1cee s TYR 154 Cb -0.01 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 1cee s TYR 154 CO -0.05 0.01 0.28 0.14 -1.34 0.00 0.00 175.55 174.59 1cee s VAL 155 N 0.56 0.04 0.24 3.14 -7.23 0.01 -5.00 120.40 112.16 1cee s VAL 155 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1cee s VAL 155 Cb -0.13 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1cee s VAL 155 CO 0.02 0.00 0.11 -1.61 -0.31 0.00 0.00 175.10 173.31 1cee s GLU 156 N -3.43 1.34 -0.24 4.82 2.02 -1.26 -1.29 118.70 120.65 1cee s GLU 156 Ca 0.39 -1.72 -0.19 0.00 0.02 0.00 0.00 54.97 53.47 1cee s GLU 156 Cb 0.02 -0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.25 1cee s GLU 156 CO 0.28 -0.33 0.63 0.00 0.02 0.00 0.00 175.26 175.86 1cee s SER 158 N 0.76 2.21 0.00 0.00 0.15 -0.95 -4.14 113.70 111.73 1cee s SER 158 Ca -0.03 -0.44 0.30 0.00 0.70 0.00 0.00 55.95 56.47 1cee s SER 158 Cb -0.05 -0.48 1.78 0.00 -1.71 0.00 0.00 66.02 65.56 1cee s SER 158 CO -0.06 -0.26 2.12 0.00 1.20 0.00 0.00 173.24 176.25 1cee n ALA 159 N 5.12 2.61 -0.13 5.45 0.00 -1.26 0.11 120.51 132.41 1cee n ALA 159 Ca -0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1cee n ALA 159 Cb 0.49 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1cee n ALA 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cee n LEU 160 N -1.02 2.92 -0.05 0.00 7.94 -1.26 -4.65 117.00 120.89 1cee n LEU 160 Ca 0.22 -0.11 0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1cee n LEU 160 Cb 0.11 -0.89 -0.00 0.00 0.53 0.00 0.00 43.42 43.17 1cee n LEU 160 CO 0.17 0.91 0.12 0.41 -1.11 0.00 0.00 177.39 177.89 1cee n THR 161 N -3.30 0.00 -1.27 1.96 -1.04 -1.23 -4.99 114.28 104.40 1cee n THR 161 Ca -0.46 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.05 60.99 1cee n THR 161 Cb 0.98 1.02 -0.04 0.00 -1.82 0.00 0.00 70.33 70.47 1cee n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee n GLN 162 N -0.55 -0.68 -2.01 -2.82 6.02 0.30 -4.92 117.38 112.71 1cee n GLN 162 Ca 0.01 0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 57.55 1cee n GLN 162 Cb 0.05 -4.73 -0.05 0.00 1.02 0.00 0.00 30.24 26.54 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 -2.77 2.50 0.00 -1.09 2.47 -1.21 -2.80 119.74 116.85 1cee s LYS 163 Ca 0.00 -0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 1cee s LYS 163 Cb 0.00 -4.95 0.00 0.00 -1.46 0.00 0.00 37.83 31.42 1cee s LYS 163 CO 0.00 -3.36 0.00 0.41 0.16 0.00 0.00 175.35 172.56 1cee n GLY 164 N 6.69 3.24 0.32 5.54 0.00 -1.26 -2.25 105.19 117.47 1cee n GLY 164 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.97 0.14 0.99 5.85 -1.54 0.38 115.31 120.16 1cee h LEU 165 Ca 0.00 0.24 -0.29 0.00 0.84 0.00 0.00 57.88 58.67 1cee h LEU 165 Cb 0.00 0.55 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1cee h LEU 165 CO 0.00 -0.28 -1.36 0.50 -0.34 0.00 0.00 178.44 176.96 1cee h LYS 166 N -0.06 0.30 0.09 1.25 3.64 -1.89 -3.33 116.57 116.57 1cee h LYS 166 Ca 0.32 -0.51 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1cee h LYS 166 Cb 0.57 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1cee h LYS 166 CO -0.79 1.22 -0.04 -0.97 -2.27 0.00 0.00 179.45 176.60 1cee h ASN 167 N 0.08 -0.10 -0.40 4.20 -0.73 -1.65 -2.94 115.58 114.04 1cee h ASN 167 Ca -0.18 -0.11 0.06 0.00 1.87 0.00 0.00 56.30 57.95 1cee h ASN 167 Cb 2.01 0.03 -0.09 0.00 0.27 0.00 0.00 38.32 40.54 1cee h ASN 167 CO 0.20 0.04 -0.46 1.62 -0.37 0.00 0.00 177.43 178.46 1cee h VAL 168 N -0.24 0.08 -0.99 2.57 3.04 -0.41 0.22 116.25 120.52 1cee h VAL 168 Ca -0.01 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.90 1cee h VAL 168 Cb 0.20 0.08 -0.10 0.00 -2.01 0.00 0.00 31.29 29.47 1cee h VAL 168 CO 0.02 0.00 0.62 -0.26 -1.01 0.00 0.00 177.57 176.94 1cee h PHE 169 N -0.35 0.84 -0.15 3.17 0.04 -1.66 0.87 116.94 119.70 1cee h PHE 169 Ca 0.12 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 1cee h PHE 169 Cb 0.59 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1cee h PHE 169 CO -0.65 0.15 -0.14 -0.44 -0.60 0.00 0.00 178.31 176.63 1cee h ASP 170 N 0.57 0.23 0.05 2.17 5.19 -0.44 -2.24 116.42 121.96 1cee h ASP 170 Ca 0.57 -0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.79 1cee h ASP 170 Cb 1.15 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.62 1cee h ASP 170 CO -0.32 0.41 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.30 1cee h GLU 171 N 0.23 0.29 0.12 3.56 4.39 0.20 -2.50 114.58 120.87 1cee h GLU 171 Ca 0.05 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1cee h GLU 171 Cb 0.40 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1cee h GLU 171 CO 0.02 1.11 -0.29 0.00 -1.16 0.00 0.00 179.01 178.70 1cee h ALA 172 N 0.19 -0.85 -0.15 3.43 0.00 -0.38 0.44 119.26 121.95 1cee h ALA 172 Ca -0.09 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1cee h ALA 172 Cb 1.36 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 1cee h ALA 172 CO 0.11 -0.90 -0.38 0.82 0.00 0.00 0.00 179.25 178.89 1cee h ILE 173 N -0.45 0.19 -0.87 0.00 2.04 -1.56 1.10 117.51 117.96 1cee h ILE 173 Ca -0.01 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.10 1cee h ILE 173 Cb 0.43 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1cee h ILE 173 CO -0.12 0.00 0.79 0.25 0.00 0.00 0.00 178.15 179.07 1cee h LEU 174 N -0.45 0.00 0.00 1.44 5.85 -1.16 -0.88 115.31 120.11 1cee h LEU 174 Ca 0.09 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.59 1cee h LEU 174 Cb 0.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1cee h LEU 174 CO -0.39 0.00 -1.21 0.00 -0.34 0.00 0.00 178.44 176.50 1cee h ALA 175 N 1.23 0.25 -0.67 1.25 0.00 0.47 -3.39 119.26 118.40 1cee h ALA 175 Ca 0.41 -1.18 0.14 0.00 0.00 0.00 0.00 54.91 54.29 1cee h ALA 175 Cb 1.99 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 20.38 1cee h ALA 175 CO -0.00 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 1cee h ALA 176 N -0.49 0.61 -3.03 0.00 0.00 0.23 -3.42 119.26 113.16 1cee h ALA 176 Ca -0.33 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1cee h ALA 176 Cb 1.28 0.41 0.02 0.00 0.00 0.00 0.00 17.79 19.50 1cee h ALA 176 CO -0.20 -0.41 0.01 1.28 0.00 0.00 0.00 179.25 179.93 1cee n LEU 177 N -5.35 0.00 -3.70 0.00 4.77 -0.73 -4.67 117.00 107.31 1cee n LEU 177 Ca 0.10 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1cee n LEU 177 Cb 0.39 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1cee n LEU 177 CO 0.07 -1.05 0.49 -1.83 -1.33 0.00 0.00 177.39 173.73 1cee s GLU 178 N -3.20 1.53 0.00 3.23 -1.05 -1.26 -5.01 118.70 112.95 1cee s GLU 178 Ca 0.06 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.11 1cee s GLU 178 Cb -0.01 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1cee s GLU 178 CO 0.04 -0.69 0.27 -0.35 0.95 0.00 0.00 175.26 175.48