#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 4.50 -0.05 2.12 -1.52 -1.26 -5.04 119.66 118.40 1cee s GLN 2 Ca 0.00 1.18 -0.04 0.00 -1.95 0.00 0.00 55.36 54.55 1cee s GLN 2 Cb 0.00 -2.91 0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1cee s GLN 2 CO 0.00 0.37 0.12 0.99 -0.25 0.00 0.00 175.29 176.52 1cee s THR 3 N -1.50 -0.01 -0.15 -0.19 2.01 -1.26 -3.03 115.64 111.52 1cee s THR 3 Ca 0.46 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 1cee s THR 3 Cb -0.19 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1cee s THR 3 CO 0.24 0.01 0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 1cee s ILE 4 N 0.20 5.43 -0.27 1.82 1.09 -0.80 -4.97 121.20 123.72 1cee s ILE 4 Ca -0.01 0.19 -0.12 0.00 -1.10 0.00 0.00 60.65 59.61 1cee s ILE 4 Cb -0.02 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 37.93 1cee s ILE 4 CO -0.01 0.56 0.23 -0.75 -0.10 0.00 0.00 174.94 174.87 1cee s LYS 5 N -0.57 4.00 -0.02 2.79 2.47 -1.26 0.32 119.74 127.47 1cee s LYS 5 Ca 0.13 -0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.35 1cee s LYS 5 Cb -0.12 -3.63 -0.00 0.00 -1.46 0.00 0.00 37.83 32.63 1cee s LYS 5 CO 0.02 -0.14 -0.10 0.00 0.16 0.00 0.00 175.35 175.29 1cee s VAL 7 N 0.05 0.92 -0.47 0.00 0.11 -1.25 -1.86 120.40 117.89 1cee s VAL 7 Ca -0.01 -0.29 -0.24 0.00 -2.93 0.00 0.00 61.98 58.50 1cee s VAL 7 Cb -0.07 -1.01 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1cee s VAL 7 CO 0.00 0.29 0.88 -0.69 -3.33 0.00 0.00 175.10 172.25 1cee s VAL 8 N 1.74 4.52 -0.01 2.04 1.01 0.64 -2.09 120.40 128.24 1cee s VAL 8 Ca 0.04 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1cee s VAL 8 Cb -0.13 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1cee s VAL 8 CO -0.08 -0.85 -0.13 0.68 0.00 0.00 0.00 175.10 174.72 1cee s VAL 9 N 3.64 3.15 0.00 2.92 -7.23 0.16 -2.74 120.40 120.29 1cee s VAL 9 Ca 0.33 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1cee s VAL 9 Cb -0.11 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1cee s VAL 9 CO 0.24 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 1cee n GLY 10 N 1.89 0.70 3.76 2.32 0.00 -1.26 -1.19 105.19 111.41 1cee n GLY 10 Ca -0.16 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1cee n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cee n ASP 11 N 0.00 3.66 -4.57 1.61 9.92 -1.25 -4.77 116.55 121.15 1cee n ASP 11 Ca 0.00 1.22 -0.16 0.00 -0.53 0.00 0.00 54.79 55.32 1cee n ASP 11 Cb 0.00 -1.60 -0.10 0.00 -0.64 0.00 0.00 41.12 38.78 1cee n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1cee s GLY 12 N -0.10 -0.96 0.00 0.44 0.00 -1.26 -2.41 107.32 103.03 1cee s GLY 12 Ca 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1cee s GLY 12 CO 0.62 4.22 0.00 0.00 0.00 0.00 0.00 173.10 177.94 1cee n ALA 13 N 19.06 0.00 -0.58 3.20 0.00 -1.26 -5.01 120.51 135.92 1cee n ALA 13 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 1cee n ALA 13 Cb 0.46 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 0.00 -1.86 0.00 0.24 -1.01 -4.91 118.33 110.79 1cee n VAL 14 Ca 0.00 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.34 61.57 1cee n VAL 14 Cb 0.00 -0.82 0.04 0.00 -1.47 0.00 0.00 33.84 31.59 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 1.41 5.68 0.32 7.63 0.00 -1.26 -4.73 105.19 114.23 1cee n GLY 15 Ca 0.03 -2.48 0.05 0.00 0.00 0.00 0.00 46.02 43.61 1cee n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cee h LYS 16 N 2.71 0.76 0.01 1.61 1.57 -1.95 -0.46 116.57 120.83 1cee h LYS 16 Ca 0.54 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 59.14 1cee h LYS 16 Cb 0.34 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1cee h LYS 16 CO 1.39 0.50 -0.55 1.15 -0.57 0.00 0.00 179.45 181.37 1cee h THR 17 N 0.78 1.46 -0.85 -0.16 2.02 -1.99 -2.76 112.91 111.42 1cee h THR 17 Ca 0.43 -2.11 0.13 0.00 0.77 0.00 0.00 66.41 65.63 1cee h THR 17 Cb 0.45 2.71 -0.09 0.00 -1.74 0.00 0.00 68.15 69.48 1cee h THR 17 CO -0.28 0.60 0.46 0.00 0.37 0.00 0.00 175.52 176.67 1cee h LEU 19 N 0.68 0.72 -1.39 0.00 6.46 -1.17 -3.07 115.31 117.53 1cee h LEU 19 Ca 0.45 -0.45 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1cee h LEU 19 Cb 0.59 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1cee h LEU 19 CO -0.33 1.21 0.49 -0.07 -0.62 0.00 0.00 178.44 179.12 1cee h LEU 20 N 0.43 0.62 -0.10 2.25 3.38 -0.92 0.04 115.31 121.02 1cee h LEU 20 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1cee h LEU 20 Cb 1.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1cee h LEU 20 CO 0.14 0.39 -0.08 0.40 0.09 0.00 0.00 178.44 179.37 1cee h ILE 21 N 0.70 1.35 0.00 1.22 1.08 -1.27 -2.99 117.51 117.60 1cee h ILE 21 Ca 0.33 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1cee h ILE 21 Cb 0.38 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1cee h ILE 21 CO -0.12 0.34 0.00 -0.24 -0.69 0.00 0.00 178.15 177.44 1cee n SER 22 N -4.68 0.00 0.06 1.72 2.88 -0.94 -0.99 113.62 111.66 1cee n SER 22 Ca -0.07 0.13 -0.04 0.00 -1.33 0.00 0.00 58.87 57.56 1cee n SER 22 Cb 0.30 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.33 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1cee h TYR 23 N 0.00 0.00 0.00 0.66 3.20 -0.85 -1.17 116.97 118.81 1cee h TYR 23 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1cee h TYR 23 Cb 0.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1cee h TYR 23 CO 0.00 0.81 -1.68 0.25 -1.64 0.00 0.00 178.16 175.90 1cee n THR 24 N -3.18 0.32 0.20 1.81 -2.24 -1.14 -4.63 114.28 105.43 1cee n THR 24 Ca -0.05 -0.38 0.03 0.00 -2.27 0.00 0.00 64.05 61.38 1cee n THR 24 Cb 0.90 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.14 0.00 -1.92 4.28 -2.24 -0.16 -4.99 114.28 107.11 1cee n THR 25 Ca -0.09 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 1cee n THR 25 Cb 0.55 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -1.27 -5.59 -4.00 3.42 2.85 -0.44 -4.95 115.26 105.28 1cee n ASN 26 Ca 0.01 0.30 -0.28 0.00 -0.11 0.00 0.00 54.58 54.49 1cee n ASN 26 Cb 0.10 -4.82 -0.17 0.00 1.24 0.00 0.00 39.78 36.14 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1cee s LYS 27 N -4.26 2.03 -0.27 1.20 2.36 -1.26 -4.96 119.74 114.58 1cee s LYS 27 Ca 0.00 -0.47 -0.29 0.00 -2.55 0.00 0.00 55.97 52.66 1cee s LYS 27 Cb 0.00 -1.86 -0.00 0.00 -1.05 0.00 0.00 37.83 34.92 1cee s LYS 27 CO 0.00 -0.18 1.25 0.12 1.55 0.00 0.00 175.35 178.09 1cee s PHE 28 N 1.35 2.81 0.86 4.03 5.36 -1.26 -3.72 117.98 127.41 1cee s PHE 28 Ca 0.00 0.97 -0.12 0.00 -0.96 0.00 0.00 56.93 56.83 1cee s PHE 28 Cb -0.13 -3.75 0.10 0.00 -0.34 0.00 0.00 43.02 38.90 1cee s PHE 28 CO -0.07 -1.54 1.11 -1.25 -1.46 0.00 0.00 175.22 172.02 1cee s PRO 29 N 3.90 1.60 0.00 10.12 0.04 -1.26 -5.01 135.00 144.38 1cee s PRO 29 Ca 0.54 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1cee s PRO 29 Cb -0.17 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1cee s PRO 29 CO 0.19 -1.93 0.12 0.43 0.04 0.00 0.00 177.00 175.86 1cee n SER 30 N -3.61 0.25 -4.21 6.66 7.64 -1.26 -5.07 113.62 114.01 1cee n SER 30 Ca 0.07 -0.60 -0.31 0.00 1.01 0.00 0.00 58.87 59.04 1cee n SER 30 Cb 0.58 0.62 0.19 0.00 -1.01 0.00 0.00 64.21 64.59 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1cee n GLU 31 N -0.62 -1.98 -1.88 1.43 2.13 -1.26 -5.05 120.64 113.41 1cee n GLU 31 Ca 0.00 -0.56 0.00 0.00 0.66 0.00 0.00 57.16 57.26 1cee n GLU 31 Cb 0.01 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1cee n GLU 31 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1cee n TYR 32 N -4.60 0.00 -1.68 4.31 4.11 -1.26 -5.09 117.16 112.94 1cee n TYR 32 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1cee n TYR 32 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.93 1cee n TYR 32 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1cee n VAL 33 N 0.00 -7.34 -1.54 -3.48 0.31 -1.26 -4.91 118.33 100.11 1cee n VAL 33 Ca 0.00 1.43 -0.43 0.00 -0.01 0.00 0.00 64.34 65.33 1cee n VAL 33 Cb 0.00 -4.52 -0.01 0.00 -0.91 0.00 0.00 33.84 28.41 1cee n VAL 33 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cee n PRO 34 N 0.83 1.04 -2.08 5.55 -0.02 -1.26 -4.98 135.00 134.09 1cee n PRO 34 Ca -0.03 0.37 -0.27 0.00 -2.02 0.00 0.00 63.50 61.54 1cee n PRO 34 Cb 0.05 -1.73 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 1cee n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cee s THR 35 N -1.20 2.14 -0.15 3.45 2.01 -1.26 -5.04 115.64 115.59 1cee s THR 35 Ca 0.61 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1cee s THR 35 Cb -0.67 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 1cee s THR 35 CO 0.58 0.00 -0.16 0.52 -0.69 0.00 0.00 174.62 174.87 1cee n VAL 36 N -3.15 0.81 -2.94 3.82 0.31 -1.26 -4.72 118.33 111.20 1cee n VAL 36 Ca 0.09 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1cee n VAL 36 Cb 0.61 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 -2.28 -0.81 -0.27 3.52 5.36 -1.26 -2.98 117.98 119.26 1cee s PHE 37 Ca -0.20 0.17 -0.10 0.00 -0.96 0.00 0.00 56.93 55.84 1cee s PHE 37 Cb 0.07 0.15 -0.05 0.00 -0.34 0.00 0.00 43.02 42.85 1cee s PHE 37 CO 0.29 -0.54 0.17 0.34 -1.46 0.00 0.00 175.22 174.02 1cee s ASP 38 N 2.07 5.88 -0.23 6.13 -1.08 -1.24 -4.93 116.67 123.26 1cee s ASP 38 Ca 0.16 -0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.11 1cee s ASP 38 Cb 0.00 -2.09 -0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1cee s ASP 38 CO -0.14 -0.04 -0.04 0.21 0.52 0.00 0.00 175.17 175.68 1cee s ASN 39 N 1.72 4.35 0.30 -0.34 2.47 -1.26 -2.80 114.94 119.38 1cee s ASN 39 Ca 0.07 -0.47 0.11 0.00 0.42 0.00 0.00 52.86 52.98 1cee s ASN 39 Cb -0.16 -1.74 -0.05 0.00 -1.45 0.00 0.00 41.25 37.85 1cee s ASN 39 CO 0.10 -0.05 -0.13 -0.31 -3.72 0.00 0.00 177.10 172.99 1cee s TYR 40 N 1.46 2.39 -0.13 0.43 1.51 -0.93 -5.00 117.35 117.08 1cee s TYR 40 Ca 0.05 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1cee s TYR 40 Cb -0.15 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1cee s TYR 40 CO -0.03 0.65 -0.08 0.00 -1.11 0.00 0.00 175.55 174.97 1cee s ALA 41 N -2.52 1.45 0.14 3.71 0.00 -1.26 -1.71 121.76 121.57 1cee s ALA 41 Ca 0.31 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1cee s ALA 41 Cb -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1cee s ALA 41 CO 0.16 -0.47 0.19 0.08 0.00 0.00 0.00 175.76 175.72 1cee s VAL 42 N 1.66 4.85 -0.42 0.00 1.01 -0.96 -4.93 120.40 121.60 1cee s VAL 42 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1cee s VAL 42 Cb -0.13 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 32.91 1cee s VAL 42 CO -0.09 -0.06 0.16 -0.89 0.00 0.00 0.00 175.10 174.22 1cee s THR 43 N -1.69 2.18 0.12 3.92 2.01 -1.26 -0.21 115.64 120.70 1cee s THR 43 Ca 0.32 -2.67 0.03 0.00 0.31 0.00 0.00 61.69 59.68 1cee s THR 43 Cb -0.11 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1cee s THR 43 CO 0.25 -0.72 0.20 -0.69 -0.69 0.00 0.00 174.62 172.97 1cee s VAL 44 N 0.43 5.01 -0.95 3.82 1.01 -0.60 -4.87 120.40 124.25 1cee s VAL 44 Ca 0.14 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1cee s VAL 44 Cb -0.22 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.79 1cee s VAL 44 CO -0.05 -0.01 1.12 -0.04 0.00 0.00 0.00 175.10 176.11 1cee s MET 45 N -2.91 3.67 -0.12 2.72 -1.94 -1.26 0.11 119.30 119.58 1cee s MET 45 Ca 0.33 -1.99 -0.06 0.00 -1.71 0.00 0.00 55.69 52.26 1cee s MET 45 Cb -0.11 -4.86 -0.04 0.00 2.01 0.00 0.00 34.83 31.82 1cee s MET 45 CO 0.26 -1.70 0.12 0.42 -0.01 0.00 0.00 175.02 174.11 1cee s ILE 46 N 2.13 5.31 -1.10 2.53 1.01 0.22 -4.37 121.20 126.93 1cee s ILE 46 Ca 0.32 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1cee s ILE 46 Cb -0.05 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1cee s ILE 46 CO -0.08 0.61 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1cee n GLY 47 N 2.06 0.25 1.86 6.18 0.00 -1.26 0.68 105.19 114.97 1cee n GLY 47 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.52 0.43 3.07 -0.02 0.00 -1.26 -5.04 105.19 101.85 1cee n GLY 48 Ca -0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.77 0.46 -0.50 1.61 8.01 0.22 -5.11 118.70 121.62 1cee s GLU 49 Ca 0.00 -0.59 -0.28 0.00 0.01 0.00 0.00 54.97 54.11 1cee s GLU 49 Cb 0.00 0.18 -0.00 0.00 -4.31 0.00 0.00 34.13 30.00 1cee s GLU 49 CO 0.00 -0.10 1.62 -1.25 0.01 0.00 0.00 175.26 175.54 1cee s PRO 50 N -1.82 3.17 -0.24 0.39 0.04 -1.26 0.69 135.00 135.97 1cee s PRO 50 Ca -0.12 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.62 1cee s PRO 50 Cb -0.06 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1cee s PRO 50 CO -0.01 -2.07 0.12 0.71 0.04 0.00 0.00 177.00 175.78 1cee s TYR 51 N 6.95 3.19 -0.43 0.56 1.51 0.30 -4.76 117.35 124.67 1cee s TYR 51 Ca 0.64 -0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 56.35 1cee s TYR 51 Cb -0.14 -2.25 0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1cee s TYR 51 CO 0.27 -0.13 1.11 0.99 -1.11 0.00 0.00 175.55 176.68 1cee s THR 52 N 1.32 4.31 -0.14 -0.71 2.01 -1.17 -1.55 115.64 119.71 1cee s THR 52 Ca 0.06 1.34 -0.26 0.00 0.31 0.00 0.00 61.69 63.14 1cee s THR 52 Cb -0.15 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.81 1cee s THR 52 CO 0.05 -0.85 0.85 -0.22 -0.69 0.00 0.00 174.62 173.76 1cee s LEU 53 N 4.19 4.21 -0.51 4.42 2.96 0.70 -1.90 118.68 132.75 1cee s LEU 53 Ca 0.46 1.25 -0.24 0.00 -0.22 0.00 0.00 54.13 55.39 1cee s LEU 53 Cb -0.09 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.36 1cee s LEU 53 CO 0.27 -0.37 0.89 -0.83 -1.32 0.00 0.00 176.35 175.00 1cee s GLY 54 N 1.10 1.47 -0.40 7.98 0.00 0.15 -2.28 107.32 115.34 1cee s GLY 54 Ca 0.40 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.82 1cee s GLY 54 CO 0.15 1.97 0.52 1.08 0.00 0.00 0.00 173.10 176.82 1cee s LEU 55 N 3.72 4.59 -0.20 0.66 2.01 -0.69 -1.86 118.68 126.92 1cee s LEU 55 Ca 0.31 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.09 1cee s LEU 55 Cb -0.12 -2.54 0.04 0.00 0.01 0.00 0.00 46.19 43.58 1cee s LEU 55 CO 0.21 -0.60 -0.11 -0.36 1.01 0.00 0.00 176.35 176.50 1cee s PHE 56 N 2.41 2.49 -0.34 0.29 0.40 -0.78 -2.19 117.98 120.27 1cee s PHE 56 Ca 0.17 -1.65 -0.13 0.00 -0.60 0.00 0.00 56.93 54.72 1cee s PHE 56 Cb -0.16 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 1cee s PHE 56 CO 0.15 -0.76 0.25 0.34 0.70 0.00 0.00 175.22 175.91 1cee s ASP 57 N 1.37 6.07 0.15 1.36 -1.08 -1.12 -0.26 116.67 123.16 1cee s ASP 57 Ca -0.02 -0.38 -0.11 0.00 -0.52 0.00 0.00 52.55 51.52 1cee s ASP 57 Cb -0.16 -2.14 -0.07 0.00 -1.46 0.00 0.00 42.92 39.09 1cee s ASP 57 CO -0.08 -0.24 0.50 0.42 0.52 0.00 0.00 175.17 176.29 1cee s THR 58 N 1.76 4.96 1.04 1.71 -4.23 -1.11 -3.72 115.64 116.06 1cee s THR 58 Ca 0.07 0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 60.98 1cee s THR 58 Cb -0.17 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.23 1cee s THR 58 CO 0.11 0.16 1.27 0.00 -0.54 0.00 0.00 174.62 175.62 1cee s ALA 59 N -1.55 1.73 0.01 3.99 0.00 -1.16 -4.85 121.76 119.94 1cee s ALA 59 Ca 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1cee s ALA 59 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1cee s ALA 59 CO 0.20 -2.82 0.01 0.41 0.00 0.00 0.00 175.76 173.55 1cee n GLY 60 N -2.96 2.90 5.79 0.00 0.00 -1.26 -4.89 105.19 104.77 1cee n GLY 60 Ca 0.15 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.59 -0.60 -0.00 1.61 6.02 -1.26 -4.45 117.38 118.10 1cee n GLN 61 Ca 0.00 0.40 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 1cee n GLN 61 Cb 0.01 -0.73 -0.10 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.36 1.40 -0.33 -1.09 2.13 -1.26 -4.52 120.64 114.61 1cee n GLU 62 Ca 0.00 -0.06 0.21 0.00 0.66 0.00 0.00 57.16 57.97 1cee n GLU 62 Cb 0.14 -1.26 0.48 0.00 0.27 0.00 0.00 31.44 31.06 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1cee h ASP 63 N 0.00 0.50 -0.88 4.31 1.82 -2.02 0.65 116.42 120.80 1cee h ASP 63 Ca 0.00 0.09 -0.46 0.00 -0.39 0.00 0.00 57.03 56.28 1cee h ASP 63 Cb 0.50 0.01 -0.27 0.00 0.68 0.00 0.00 39.33 40.25 1cee h ASP 63 CO 0.00 0.10 0.52 -1.22 -1.61 0.00 0.00 179.24 177.03 1cee n TYR 64 N -4.68 2.73 0.18 0.28 4.02 -1.26 -4.49 117.16 113.93 1cee n TYR 64 Ca 0.25 -1.80 0.04 0.00 -0.01 0.00 0.00 57.90 56.38 1cee n TYR 64 Cb 0.84 -0.87 0.30 0.00 -0.02 0.00 0.00 39.34 39.59 1cee n TYR 64 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1cee h ASP 65 N 1.02 0.00 -0.00 7.72 1.82 0.06 -0.18 116.42 126.85 1cee h ASP 65 Ca 0.56 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.95 1cee h ASP 65 Cb 2.66 0.00 0.02 0.00 0.68 0.00 0.00 39.33 42.69 1cee h ASP 65 CO 0.98 0.42 -0.98 0.03 -1.61 0.00 0.00 179.24 178.08 1cee h ARG 66 N 0.00 0.70 -0.57 0.28 -0.00 -1.79 -3.23 114.38 109.78 1cee h ARG 66 Ca -0.00 -0.71 0.00 0.00 -0.50 0.00 0.00 59.98 58.76 1cee h ARG 66 Cb 0.93 0.19 0.00 0.00 0.00 0.00 0.00 29.97 31.10 1cee h ARG 66 CO 0.05 1.30 0.00 1.47 0.00 0.00 0.00 179.97 182.79 1cee n LEU 67 N -3.86 3.32 0.01 3.04 -0.00 -1.18 -4.36 117.00 113.96 1cee n LEU 67 Ca -0.10 -1.61 -0.18 0.00 -0.00 0.00 0.00 56.01 54.12 1cee n LEU 67 Cb 0.85 -0.38 -0.12 0.00 -0.00 0.00 0.00 43.42 43.77 1cee n LEU 67 CO 0.55 0.81 0.22 -0.09 -0.00 0.00 0.00 177.39 178.88 1cee h ARG 68 N 3.77 0.32 0.00 1.47 2.43 -1.04 -3.24 114.38 118.09 1cee h ARG 68 Ca 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1cee h ARG 68 Cb 0.85 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1cee h ARG 68 CO 0.00 1.11 0.25 -1.35 -1.51 0.00 0.00 179.97 178.47 1cee h PRO 69 N -0.28 0.00 0.00 0.20 0.11 -1.76 -0.66 132.00 129.61 1cee h PRO 69 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1cee h PRO 69 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1cee h PRO 69 CO 0.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.18 1cee n LEU 70 N -2.87 0.00 -1.58 2.35 4.32 -1.22 -2.16 117.00 115.84 1cee n LEU 70 Ca -0.02 0.47 0.08 0.00 -0.02 0.00 0.00 56.01 56.52 1cee n LEU 70 Cb 0.30 -0.47 0.36 0.00 -1.62 0.00 0.00 43.42 41.99 1cee n LEU 70 CO 0.14 -0.32 0.82 -1.20 -1.22 0.00 0.00 177.39 175.61 1cee n SER 71 N -1.47 4.97 -1.80 -1.43 7.64 -0.25 -4.41 113.62 116.87 1cee n SER 71 Ca 0.03 -2.70 -0.06 0.00 1.01 0.00 0.00 58.87 57.15 1cee n SER 71 Cb 0.10 -0.60 0.07 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.69 1.26 -0.65 1.43 4.01 -0.92 -4.81 117.16 118.17 1cee n TYR 72 Ca 0.25 -1.74 0.50 0.00 -0.16 0.00 0.00 57.90 56.76 1cee n TYR 72 Cb 1.00 -0.26 0.80 0.00 -0.31 0.00 0.00 39.34 40.56 1cee n TYR 72 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1cee h PRO 73 N 1.81 0.00 0.00 -0.72 0.11 -1.78 -3.17 132.00 128.25 1cee h PRO 73 Ca 0.05 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1cee h PRO 73 Cb 1.41 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.41 1cee h PRO 73 CO 0.32 0.00 0.07 0.94 -0.21 0.00 0.00 178.00 179.13 1cee n GLN 74 N -4.09 0.30 -1.56 1.05 -0.06 -1.26 -5.12 117.38 106.63 1cee n GLN 74 Ca 0.43 -0.86 -0.63 0.00 -2.00 0.00 0.00 57.00 53.94 1cee n GLN 74 Cb 1.90 -0.12 -0.10 0.00 -4.06 0.00 0.00 30.24 27.86 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cee n THR 75 N -0.10 0.05 0.23 1.69 -1.04 -1.20 -4.72 114.28 109.19 1cee n THR 75 Ca -0.16 -0.02 0.11 0.00 -2.04 0.00 0.00 64.05 61.94 1cee n THR 75 Cb 0.71 -0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 68.54 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 5.69 0.60 -3.50 8.00 9.92 -0.96 -4.97 116.55 131.33 1cee n ASP 76 Ca 0.39 0.10 -0.07 0.00 -0.53 0.00 0.00 54.79 54.69 1cee n ASP 76 Cb -0.01 0.86 -0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1cee s VAL 77 N -3.34 0.00 -0.10 2.53 0.11 -1.18 -4.11 120.40 114.31 1cee s VAL 77 Ca -0.01 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 1cee s VAL 77 Cb 0.12 -2.36 0.04 0.00 -1.53 0.00 0.00 36.38 32.65 1cee s VAL 77 CO 0.82 0.00 0.04 -0.36 -3.33 0.00 0.00 175.10 172.26 1cee s PHE 78 N -3.16 0.46 -0.54 1.54 0.08 -1.15 -3.90 117.98 111.32 1cee s PHE 78 Ca 0.14 -0.17 -0.20 0.00 0.12 0.00 0.00 56.93 56.82 1cee s PHE 78 Cb -0.05 -0.72 0.06 0.00 -0.57 0.00 0.00 43.02 41.74 1cee s PHE 78 CO 0.08 -0.36 0.73 -0.51 -0.10 0.00 0.00 175.22 175.05 1cee s LEU 79 N 2.04 4.80 -0.97 -0.37 1.02 -0.89 -0.75 118.68 123.56 1cee s LEU 79 Ca 0.04 -0.87 -0.14 0.00 0.02 0.00 0.00 54.13 53.18 1cee s LEU 79 Cb -0.14 -2.50 0.21 0.00 0.02 0.00 0.00 46.19 43.78 1cee s LEU 79 CO -0.06 -1.03 1.02 -0.69 0.02 0.00 0.00 176.35 175.61 1cee s VAL 80 N 3.02 5.45 -0.43 -1.59 1.01 -0.92 0.39 120.40 127.33 1cee s VAL 80 Ca 0.18 -2.55 -0.24 0.00 0.00 0.00 0.00 61.98 59.37 1cee s VAL 80 Cb -0.18 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 31.59 1cee s VAL 80 CO 0.13 -1.25 0.86 0.00 0.00 0.00 0.00 175.10 174.84 1cee s PHE 82 N 3.48 2.42 0.04 0.00 -0.71 -1.00 -3.81 117.98 118.40 1cee s PHE 82 Ca 0.34 -0.36 -0.30 0.00 -1.04 0.00 0.00 56.93 55.58 1cee s PHE 82 Cb -0.11 -1.47 -0.09 0.00 -1.21 0.00 0.00 43.02 40.14 1cee s PHE 82 CO 0.23 0.11 1.95 -1.12 -1.34 0.00 0.00 175.22 175.05 1cee s SER 83 N -1.03 6.46 0.36 1.98 0.01 -1.26 -2.26 113.70 117.95 1cee s SER 83 Ca 0.12 2.66 0.09 0.00 1.31 0.00 0.00 55.95 60.12 1cee s SER 83 Cb -0.10 -2.53 0.70 0.00 0.21 0.00 0.00 66.02 64.30 1cee s SER 83 CO 0.02 -1.05 1.86 0.58 0.41 0.00 0.00 173.24 175.06 1cee h VAL 84 N 5.61 1.21 -0.65 3.43 2.07 -1.38 -2.37 116.25 124.17 1cee h VAL 84 Ca -0.49 -0.95 -0.31 0.00 0.82 0.00 0.00 66.70 65.77 1cee h VAL 84 Cb 1.23 1.30 -0.18 0.00 -1.52 0.00 0.00 31.29 32.12 1cee h VAL 84 CO 0.94 0.29 0.39 1.33 0.02 0.00 0.00 177.57 180.54 1cee n VAL 85 N -4.22 2.45 -3.54 2.57 0.24 -1.26 0.15 118.33 114.72 1cee n VAL 85 Ca -0.01 -1.28 -0.29 0.00 -2.04 0.00 0.00 64.34 60.72 1cee n VAL 85 Cb 0.31 -0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 31.95 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 -0.59 3.53 0.24 -1.34 0.15 -0.89 -4.75 113.70 110.05 1cee s SER 86 Ca 0.39 -1.32 0.18 0.00 0.70 0.00 0.00 55.95 55.90 1cee s SER 86 Cb 0.33 -0.36 0.92 0.00 -1.71 0.00 0.00 66.02 65.19 1cee s SER 86 CO 0.08 -0.44 1.54 -0.81 1.20 0.00 0.00 173.24 174.82 1cee n PRO 87 N 5.21 0.12 0.08 5.44 -0.04 -1.25 -2.97 135.00 141.58 1cee n PRO 87 Ca -0.05 0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 63.94 1cee n PRO 87 Cb 0.42 -1.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 1cee n PRO 87 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cee h SER 88 N 0.00 -0.23 -0.67 3.54 4.64 -1.93 -1.59 113.55 117.30 1cee h SER 88 Ca 0.00 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1cee h SER 88 Cb 0.06 0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 62.09 1cee h SER 88 CO 0.00 0.15 0.01 0.28 -0.87 0.00 0.00 176.83 176.41 1cee h SER 89 N -0.92 -0.28 -0.58 4.97 0.02 -1.84 0.12 113.55 115.04 1cee h SER 89 Ca -0.03 0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1cee h SER 89 Cb 0.21 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1cee h SER 89 CO 0.05 -0.13 0.15 0.15 -1.14 0.00 0.00 176.83 175.90 1cee h PHE 90 N 0.12 0.97 -0.19 3.45 3.04 -1.67 0.79 116.94 123.44 1cee h PHE 90 Ca 0.36 -0.11 0.06 0.00 3.98 0.00 0.00 57.97 62.25 1cee h PHE 90 Cb 0.60 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1cee h PHE 90 CO -0.38 0.83 0.16 0.93 -2.02 0.00 0.00 178.31 177.82 1cee h GLU 91 N 0.83 0.00 0.09 1.11 4.39 0.20 -1.62 114.58 119.58 1cee h GLU 91 Ca 0.18 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.53 1cee h GLU 91 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1cee h GLU 91 CO 0.00 0.00 -1.98 0.09 -1.16 0.00 0.00 179.01 175.96 1cee n ASN 92 N -4.23 1.81 -0.26 1.42 4.13 -0.03 -3.10 115.26 115.00 1cee n ASN 92 Ca 0.02 0.22 0.07 0.00 1.68 0.00 0.00 54.58 56.57 1cee n ASN 92 Cb 0.29 -0.62 0.19 0.00 -1.54 0.00 0.00 39.78 38.10 1cee n ASN 92 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1cee h VAL 93 N 0.05 0.42 0.00 2.41 2.07 0.15 1.93 116.25 123.28 1cee h VAL 93 Ca -0.41 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1cee h VAL 93 Cb 2.03 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1cee h VAL 93 CO 0.07 0.04 -0.28 0.07 0.02 0.00 0.00 177.57 177.49 1cee h LYS 94 N 0.20 0.00 -1.93 1.57 2.10 -1.56 -3.14 116.57 113.81 1cee h LYS 94 Ca 0.44 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.57 1cee h LYS 94 Cb 0.78 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 31.73 1cee h LYS 94 CO -0.59 0.28 -1.12 0.39 -2.00 0.00 0.00 179.45 176.41 1cee n GLU 95 N -3.19 0.82 0.00 0.07 1.02 0.21 -4.78 120.64 114.79 1cee n GLU 95 Ca 0.03 -3.23 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 1cee n GLU 95 Cb 0.63 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.96 0.00 -0.06 3.49 4.76 0.60 -4.54 118.16 123.38 1cee n LYS 96 Ca 0.22 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 1cee n LYS 96 Cb 0.58 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.69 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 -0.01 0.87 2.13 4.06 -1.57 -3.02 115.95 118.40 1cee h TRP 97 Ca 0.00 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1cee h TRP 97 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1cee h TRP 97 CO 0.00 0.66 -0.50 0.28 -3.56 0.00 0.00 178.44 175.32 1cee h VAL 98 N -0.98 0.00 -0.31 1.49 2.07 -1.79 -2.06 116.25 114.66 1cee h VAL 98 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1cee h VAL 98 Cb 0.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1cee h VAL 98 CO 0.00 0.00 0.44 1.55 0.02 0.00 0.00 177.57 179.58 1cee h PRO 99 N -1.27 0.00 -0.10 1.57 0.13 -1.85 0.34 132.00 130.82 1cee h PRO 99 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.87 1cee h PRO 99 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1cee h PRO 99 CO 0.14 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.27 1cee h GLU 100 N 0.00 0.32 0.08 0.86 4.39 -1.25 -3.12 114.58 115.86 1cee h GLU 100 Ca 0.15 -0.21 -0.33 0.00 0.34 0.00 0.00 59.36 59.31 1cee h GLU 100 Cb 1.03 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1cee h GLU 100 CO -0.00 0.81 -1.87 0.44 -1.16 0.00 0.00 179.01 177.23 1cee n ILE 101 N -3.91 1.72 -0.05 3.13 -5.35 0.96 -3.84 119.36 112.01 1cee n ILE 101 Ca -0.03 -0.72 0.24 0.00 -0.27 0.00 0.00 62.75 61.98 1cee n ILE 101 Cb 0.60 -1.45 0.72 0.00 -1.74 0.00 0.00 39.64 37.77 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 0.04 0.50 0.03 7.28 1.35 -0.91 1.37 112.91 122.58 1cee h THR 102 Ca -0.36 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.25 1cee h THR 102 Cb 2.03 0.60 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1cee h THR 102 CO 0.09 0.00 -1.03 -0.74 -0.25 0.00 0.00 175.52 173.59 1cee h HIS 103 N 0.00 0.67 0.06 4.73 2.76 -1.66 -1.98 115.15 119.74 1cee h HIS 103 Ca 0.32 -0.39 -0.24 0.00 -2.20 0.00 0.00 60.37 57.86 1cee h HIS 103 Cb 1.41 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.29 1cee h HIS 103 CO 0.00 1.23 -1.08 1.25 -1.30 0.00 0.00 177.93 178.03 1cee h HIS 104 N 0.22 0.30 -0.50 5.26 6.17 0.11 -3.44 115.15 123.28 1cee h HIS 104 Ca -0.10 -0.21 0.10 0.00 0.71 0.00 0.00 60.37 60.87 1cee h HIS 104 Cb 1.69 -0.02 -0.19 0.00 2.52 0.00 0.00 27.41 31.41 1cee h HIS 104 CO 0.07 1.13 -0.19 0.00 0.71 0.00 0.00 177.93 179.64 1cee n PRO 106 N 4.50 0.92 -0.07 0.00 -0.04 -0.74 -3.21 135.00 136.34 1cee n PRO 106 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1cee n PRO 106 Cb 0.59 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.67 1cee n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1cee n LYS 107 N -0.76 1.51 -1.01 0.54 4.01 -1.26 -5.01 118.16 116.17 1cee n LYS 107 Ca 0.12 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.58 1cee n LYS 107 Cb 0.05 -1.38 0.13 0.00 -0.51 0.00 0.00 35.03 33.32 1cee n LYS 107 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1cee n THR 108 N -2.58 1.37 -2.09 -0.18 -2.24 -1.20 -4.99 114.28 102.37 1cee n THR 108 Ca -0.25 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1cee n THR 108 Cb 0.97 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.94 3.47 -0.20 -0.78 0.04 -1.26 -5.02 135.00 127.31 1cee s PRO 109 Ca 0.69 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1cee s PRO 109 Cb -0.28 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1cee s PRO 109 CO 0.55 -0.68 0.09 -0.06 0.04 0.00 0.00 177.00 176.95 1cee s PHE 110 N -2.58 0.34 0.21 0.56 0.08 -1.26 -2.94 117.98 112.40 1cee s PHE 110 Ca 0.61 -0.53 -0.28 0.00 0.12 0.00 0.00 56.93 56.86 1cee s PHE 110 Cb -0.14 -0.80 -0.09 0.00 -0.57 0.00 0.00 43.02 41.43 1cee s PHE 110 CO 0.38 -0.60 0.87 -1.17 -0.10 0.00 0.00 175.22 174.59 1cee s LEU 111 N 2.09 4.61 -0.74 -0.37 2.96 0.07 -0.05 118.68 127.25 1cee s LEU 111 Ca 0.03 1.81 -0.08 0.00 -0.22 0.00 0.00 54.13 55.67 1cee s LEU 111 Cb -0.16 -3.50 0.19 0.00 0.50 0.00 0.00 46.19 43.23 1cee s LEU 111 CO -0.15 0.17 0.62 -0.22 -1.32 0.00 0.00 176.35 175.45 1cee s LEU 112 N -1.22 5.98 0.28 -0.68 2.96 0.28 -2.17 118.68 124.12 1cee s LEU 112 Ca 0.39 -2.85 -0.12 0.00 -0.22 0.00 0.00 54.13 51.33 1cee s LEU 112 Cb -0.24 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 1cee s LEU 112 CO 0.29 -0.45 0.66 -0.69 -1.32 0.00 0.00 176.35 174.84 1cee s VAL 113 N -0.06 4.79 -0.16 1.68 1.01 -0.59 0.06 120.40 127.13 1cee s VAL 113 Ca 0.18 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1cee s VAL 113 Cb -0.15 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1cee s VAL 113 CO -0.06 -0.15 0.03 -0.83 0.00 0.00 0.00 175.10 174.09 1cee s GLY 114 N -2.34 0.61 0.47 4.51 0.00 0.36 -2.39 107.32 108.55 1cee s GLY 114 Ca 0.51 -0.51 0.08 0.00 0.00 0.00 0.00 44.72 44.80 1cee s GLY 114 CO 0.19 1.37 0.56 -1.59 0.00 0.00 0.00 173.10 173.64 1cee s THR 115 N 1.91 2.55 -0.37 0.90 2.01 -0.96 -0.25 115.64 121.44 1cee s THR 115 Ca 0.01 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1cee s THR 115 Cb -0.16 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1cee s THR 115 CO -0.07 0.00 0.32 1.67 -0.69 0.00 0.00 174.62 175.84 1cee n GLN 116 N -1.87 -0.93 0.02 4.92 -0.06 -1.26 -1.27 117.38 116.94 1cee n GLN 116 Ca 0.08 0.30 -0.20 0.00 -2.00 0.00 0.00 57.00 55.18 1cee n GLN 116 Cb 0.61 -3.06 -0.14 0.00 -4.06 0.00 0.00 30.24 23.59 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 -0.40 0.75 -0.11 1.69 2.04 -1.86 -3.33 117.51 116.29 1cee h ILE 117 Ca -0.21 -2.45 0.03 0.00 1.00 0.00 0.00 64.86 63.23 1cee h ILE 117 Cb 1.11 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1cee h ILE 117 CO 0.15 0.84 0.15 -2.24 0.00 0.00 0.00 178.15 177.05 1cee h ASP 118 N 0.07 0.00 0.08 1.72 3.04 -1.96 -1.84 116.42 117.53 1cee h ASP 118 Ca -0.38 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.30 1cee h ASP 118 Cb 2.05 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 40.35 1cee h ASP 118 CO 0.11 0.00 -0.49 -0.07 -2.04 0.00 0.00 179.24 176.75 1cee h LEU 119 N 0.00 0.29 -2.22 0.15 3.38 -1.93 -3.11 115.31 111.87 1cee h LEU 119 Ca 0.05 -0.97 0.05 0.00 0.09 0.00 0.00 57.88 57.10 1cee h LEU 119 Cb 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1cee h LEU 119 CO -0.00 1.23 0.17 -0.09 0.09 0.00 0.00 178.44 179.85 1cee h ARG 120 N -0.61 0.00 -0.65 1.13 1.12 -1.45 0.40 114.38 114.31 1cee h ARG 120 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1cee h ARG 120 Cb 1.38 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.34 1cee h ARG 120 CO 0.09 0.00 0.00 -3.47 -3.11 0.00 0.00 179.97 173.48 1cee n ASP 121 N -3.91 4.88 -4.00 -3.80 2.03 -0.93 -4.77 116.55 106.04 1cee n ASP 121 Ca 0.01 -2.51 -0.31 0.00 0.52 0.00 0.00 54.79 52.49 1cee n ASP 121 Cb 0.29 -0.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.96 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1cee s ASP 122 N -0.86 4.64 0.54 1.67 -1.08 0.14 -4.96 116.67 116.76 1cee s ASP 122 Ca 0.51 -2.58 0.38 0.00 -0.52 0.00 0.00 52.55 50.35 1cee s ASP 122 Cb 0.34 -1.67 1.56 0.00 -1.46 0.00 0.00 42.92 41.70 1cee s ASP 122 CO 0.23 -0.33 1.75 -0.65 0.52 0.00 0.00 175.17 176.70 1cee h PRO 123 N 7.11 0.02 -0.39 4.34 0.11 -1.86 0.54 132.00 141.88 1cee h PRO 123 Ca -0.06 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.11 1cee h PRO 123 Cb 0.96 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1cee h PRO 123 CO 0.62 0.02 0.26 0.77 -0.21 0.00 0.00 178.00 179.46 1cee h SER 124 N 0.02 0.23 0.02 -2.05 0.02 -1.93 1.12 113.55 110.99 1cee h SER 124 Ca 0.65 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.25 1cee h SER 124 Cb 2.53 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 64.97 1cee h SER 124 CO -0.04 0.15 -1.93 0.35 -1.14 0.00 0.00 176.83 174.23 1cee n THR 125 N -4.47 1.57 -0.31 -2.27 -2.24 0.18 -2.71 114.28 104.03 1cee n THR 125 Ca 0.05 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.60 1cee n THR 125 Cb 0.27 -1.86 0.30 0.00 -2.10 0.00 0.00 70.33 66.94 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 -0.69 0.90 0.00 2.28 2.04 -1.06 0.38 117.51 121.36 1cee h ILE 126 Ca -0.50 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1cee h ILE 126 Cb 1.60 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1cee h ILE 126 CO -0.21 0.16 -0.39 -0.33 0.00 0.00 0.00 178.15 177.38 1cee h GLU 127 N 0.86 0.00 -0.46 2.37 5.08 0.11 0.15 114.58 122.69 1cee h GLU 127 Ca 0.46 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.70 1cee h GLU 127 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1cee h GLU 127 CO -0.22 0.39 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.79 1cee h LYS 128 N 0.00 0.92 0.00 2.33 3.64 -0.13 -3.24 116.57 120.09 1cee h LYS 128 Ca -0.00 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 58.93 1cee h LYS 128 Cb 1.27 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1cee h LYS 128 CO 0.05 1.04 -1.84 1.47 -2.27 0.00 0.00 179.45 177.89 1cee n LEU 129 N -4.20 0.21 0.00 5.20 -0.00 -0.21 -4.02 117.00 113.98 1cee n LEU 129 Ca -0.00 0.08 0.22 0.00 -0.00 0.00 0.00 56.01 56.32 1cee n LEU 129 Cb 0.42 0.07 0.62 0.00 -0.00 0.00 0.00 43.42 44.52 1cee n LEU 129 CO 0.45 0.05 1.20 0.00 -0.00 0.00 0.00 177.39 179.09 1cee h ALA 130 N 1.81 2.38 0.00 1.47 0.00 -0.72 1.18 119.26 125.38 1cee h ALA 130 Ca -0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1cee h ALA 130 Cb 1.22 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1cee h ALA 130 CO 0.01 -1.06 -2.10 1.63 0.00 0.00 0.00 179.25 177.73 1cee n LYS 131 N -3.44 0.67 0.14 0.00 5.02 -1.25 -4.16 118.16 115.14 1cee n LYS 131 Ca 0.12 -0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 1cee n LYS 131 Cb 0.96 -1.57 0.35 0.00 -0.02 0.00 0.00 35.03 34.75 1cee n LYS 131 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1cee h ASN 132 N 0.00 0.00 0.00 4.39 2.35 0.98 -3.47 115.58 119.83 1cee h ASN 132 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1cee h ASN 132 Cb 1.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.09 1cee h ASN 132 CO 0.02 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.09 1cee n LYS 133 N -2.51 0.00 -4.32 0.81 5.02 0.16 -5.07 118.16 112.25 1cee n LYS 133 Ca 0.05 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1cee n LYS 133 Cb 0.45 -0.88 -0.09 0.00 -0.02 0.00 0.00 35.03 34.49 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1cee s GLN 134 N -1.19 2.76 0.04 1.97 -0.21 -0.92 -5.03 119.66 117.09 1cee s GLN 134 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1cee s GLN 134 Cb 0.00 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1cee s GLN 134 CO 0.00 0.63 -0.07 -1.59 -2.12 0.00 0.00 175.29 172.14 1cee s LYS 135 N -1.49 0.53 0.46 2.91 0.00 -1.26 -3.86 119.74 117.03 1cee s LYS 135 Ca 0.19 -0.81 -0.19 0.00 0.00 0.00 0.00 55.97 55.16 1cee s LYS 135 Cb -0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 37.83 37.42 1cee s LYS 135 CO 0.09 0.02 0.95 -1.25 0.00 0.00 0.00 175.35 175.17 1cee s PRO 136 N -1.87 4.09 -0.23 1.78 0.04 -1.26 -3.82 135.00 133.73 1cee s PRO 136 Ca -0.08 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1cee s PRO 136 Cb -0.08 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1cee s PRO 136 CO -0.01 -0.13 0.69 0.42 0.04 0.00 0.00 177.00 178.02 1cee s ILE 137 N -2.37 4.95 0.61 0.56 -1.09 0.41 -4.96 121.20 119.31 1cee s ILE 137 Ca 0.60 1.28 -0.16 0.00 -2.23 0.00 0.00 60.65 60.14 1cee s ILE 137 Cb -0.09 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1cee s ILE 137 CO 0.21 0.02 1.09 0.42 -1.23 0.00 0.00 174.94 175.46 1cee s THR 138 N 2.42 3.44 0.26 2.92 -4.23 -1.26 -4.90 115.64 114.29 1cee s THR 138 Ca 0.30 0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 1cee s THR 138 Cb -0.16 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.69 1cee s THR 138 CO 0.09 -0.37 1.73 -0.65 -0.54 0.00 0.00 174.62 174.88 1cee h PRO 139 N 0.43 0.46 0.00 3.99 0.11 -1.99 -2.53 132.00 132.46 1cee h PRO 139 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cee h PRO 139 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1cee h PRO 139 CO 0.56 0.30 0.00 -1.91 -0.21 0.00 0.00 178.00 176.74 1cee n GLU 140 N -4.98 0.00 -0.32 1.05 2.13 -1.26 -0.05 120.64 117.21 1cee n GLU 140 Ca 0.17 0.57 0.25 0.00 0.66 0.00 0.00 57.16 58.81 1cee n GLU 140 Cb 0.48 -1.49 0.46 0.00 0.27 0.00 0.00 31.44 31.16 1cee n GLU 140 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1cee n THR 141 N -2.13 -0.41 -0.03 6.31 -1.04 -1.13 0.68 114.28 116.53 1cee n THR 141 Ca 0.00 2.02 -0.13 0.00 -2.04 0.00 0.00 64.05 63.90 1cee n THR 141 Cb 0.00 -3.16 -0.09 0.00 -1.82 0.00 0.00 70.33 65.26 1cee n THR 141 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee h ALA 142 N 1.93 0.08 -0.01 2.41 0.00 -1.28 -3.05 119.26 119.35 1cee h ALA 142 Ca 0.73 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1cee h ALA 142 Cb 1.81 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1cee h ALA 142 CO -0.81 -0.08 -0.39 1.49 0.00 0.00 0.00 179.25 179.47 1cee h GLU 143 N -0.34 -0.52 -0.87 0.00 4.22 0.39 -0.88 114.58 116.59 1cee h GLU 143 Ca 0.00 0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.65 1cee h GLU 143 Cb 0.64 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.85 1cee h GLU 143 CO 0.02 -0.34 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.03 1cee h LYS 144 N -0.54 -0.02 -0.52 1.92 3.64 -0.72 0.91 116.57 121.24 1cee h LYS 144 Ca 0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1cee h LYS 144 Cb 0.62 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1cee h LYS 144 CO -0.31 -0.01 0.26 -0.07 -2.27 0.00 0.00 179.45 177.05 1cee h LEU 145 N -0.02 0.36 -1.92 5.20 4.07 -1.23 0.81 115.31 122.58 1cee h LEU 145 Ca 0.39 0.03 0.21 0.00 0.08 0.00 0.00 57.88 58.60 1cee h LEU 145 Cb 0.63 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1cee h LEU 145 CO -0.90 0.25 0.62 0.00 -1.08 0.00 0.00 178.44 177.33 1cee h ALA 146 N 1.29 2.59 0.05 1.53 0.00 0.22 0.95 119.26 125.89 1cee h ALA 146 Ca 0.24 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.75 1cee h ALA 146 Cb 0.16 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1cee h ALA 146 CO -0.17 -1.00 -2.21 0.54 0.00 0.00 0.00 179.25 176.41 1cee n ARG 147 N -3.96 0.70 -0.04 0.00 1.74 0.28 0.39 116.66 115.77 1cee n ARG 147 Ca 0.15 0.19 -0.04 0.00 -0.77 0.00 0.00 57.85 57.38 1cee n ARG 147 Cb 0.89 -1.62 0.18 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.03 0.61 -0.44 0.55 1.82 0.25 -2.48 116.42 116.76 1cee h ASP 148 Ca -0.49 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 55.96 1cee h ASP 148 Cb 2.00 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.84 1cee h ASP 148 CO 0.01 0.79 0.01 0.18 -1.61 0.00 0.00 179.24 178.62 1cee n LEU 149 N -4.15 4.60 -2.04 2.28 4.77 0.31 -4.89 117.00 117.88 1cee n LEU 149 Ca 0.01 -2.33 -0.11 0.00 -0.03 0.00 0.00 56.01 53.54 1cee n LEU 149 Cb 0.37 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1cee n LEU 149 CO 0.42 0.54 -0.13 0.29 -1.33 0.00 0.00 177.39 177.18 1cee n LYS 150 N 0.45 -1.92 -2.01 3.23 4.01 -0.94 -4.87 118.16 116.11 1cee n LYS 150 Ca 0.21 0.58 -0.41 0.00 -0.51 0.00 0.00 58.31 58.19 1cee n LYS 150 Cb 0.97 -5.03 -0.02 0.00 -0.51 0.00 0.00 35.03 30.44 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cee s ALA 151 N -2.33 3.57 0.39 7.82 0.00 0.16 -4.59 121.76 126.78 1cee s ALA 151 Ca 0.00 1.35 0.18 0.00 0.00 0.00 0.00 51.96 53.49 1cee s ALA 151 Cb 0.00 -3.54 1.09 0.00 0.00 0.00 0.00 23.12 20.67 1cee s ALA 151 CO 0.00 -0.76 1.76 -0.39 0.00 0.00 0.00 175.76 176.37 1cee h VAL 152 N 3.24 0.51 0.00 0.00 -1.51 -0.69 -3.42 116.25 114.39 1cee h VAL 152 Ca -0.48 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1cee h VAL 152 Cb 1.22 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1cee h VAL 152 CO 0.71 0.07 0.00 0.29 -1.23 0.00 0.00 177.57 177.41 1cee n LYS 153 N -4.65 -0.81 -4.69 5.19 4.76 -1.26 -5.04 118.16 111.66 1cee n LYS 153 Ca 0.26 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.37 1cee n LYS 153 Cb 0.88 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.94 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cee s TYR 154 N -2.00 2.86 -0.02 2.13 5.04 -1.26 -0.56 117.35 123.55 1cee s TYR 154 Ca 0.00 -0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 54.16 1cee s TYR 154 Cb 0.00 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.48 1cee s TYR 154 CO 0.00 -0.07 0.07 0.14 -1.34 0.00 0.00 175.55 174.34 1cee s VAL 155 N 0.12 0.02 -0.13 3.14 -7.23 0.11 -4.97 120.40 111.46 1cee s VAL 155 Ca -0.05 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1cee s VAL 155 Cb -0.14 -0.15 0.02 0.00 0.56 0.00 0.00 36.38 36.67 1cee s VAL 155 CO 0.04 -0.08 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.89 1cee s GLU 156 N -0.21 2.45 0.02 4.82 2.12 -1.26 0.14 118.70 126.77 1cee s GLU 156 Ca -0.03 -0.64 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 1cee s GLU 156 Cb -0.02 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.30 1cee s GLU 156 CO 0.00 -0.09 0.19 0.00 -0.54 0.00 0.00 175.26 174.82 1cee s SER 158 N -1.73 0.98 0.13 0.00 0.15 -1.25 -3.99 113.70 107.99 1cee s SER 158 Ca -0.10 -0.66 0.07 0.00 0.70 0.00 0.00 55.95 55.96 1cee s SER 158 Cb -0.04 0.04 -0.15 0.00 -1.71 0.00 0.00 66.02 64.16 1cee s SER 158 CO -0.01 -0.26 1.31 0.00 1.20 0.00 0.00 173.24 175.49 1cee h ALA 159 N 4.12 0.41 0.01 5.45 0.00 -1.88 1.00 119.26 128.37 1cee h ALA 159 Ca -0.36 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.56 1cee h ALA 159 Cb 1.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cee h ALA 159 CO 0.46 1.19 -0.46 1.25 0.00 0.00 0.00 179.25 181.69 1cee h LEU 160 N 0.00 0.39 0.03 0.00 7.12 -1.96 -3.35 115.31 117.54 1cee h LEU 160 Ca -0.01 -0.79 -0.28 0.00 0.13 0.00 0.00 57.88 56.93 1cee h LEU 160 Cb 1.70 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 41.68 1cee h LEU 160 CO 0.13 1.13 -1.52 0.74 -0.13 0.00 0.00 178.44 178.78 1cee h THR 161 N -0.31 1.10 -1.75 1.05 2.02 -1.99 -3.48 112.91 109.56 1cee h THR 161 Ca -0.06 -2.87 -0.29 0.00 0.77 0.00 0.00 66.41 63.96 1cee h THR 161 Cb 1.21 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 70.17 1cee h THR 161 CO 0.09 0.69 -0.35 0.00 0.37 0.00 0.00 175.52 176.33 1cee n GLN 162 N -3.22 -1.12 -1.86 6.66 6.02 0.34 -4.92 117.38 119.28 1cee n GLN 162 Ca -0.14 0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 57.20 1cee n GLN 162 Cb 1.02 -5.03 -0.03 0.00 1.02 0.00 0.00 30.24 27.23 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 -4.38 3.71 -0.88 -1.09 2.20 -1.23 -2.56 119.74 115.51 1cee s LYS 163 Ca 0.00 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1cee s LYS 163 Cb 0.00 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1cee s LYS 163 CO 0.00 -1.41 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 1cee n GLY 164 N 4.91 0.11 0.25 5.54 0.00 -1.26 -3.71 105.19 111.03 1cee n GLY 164 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.17 -0.02 0.99 5.85 -1.79 -1.06 115.31 119.11 1cee h LEU 165 Ca -0.21 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1cee h LEU 165 Cb 0.92 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1cee h LEU 165 CO 0.27 -0.09 -0.22 0.50 -0.34 0.00 0.00 178.44 178.56 1cee h LYS 166 N 0.18 0.18 -1.06 1.25 3.64 -1.87 -3.26 116.57 115.64 1cee h LYS 166 Ca 0.37 -0.17 0.28 0.00 -1.27 0.00 0.00 60.65 59.86 1cee h LYS 166 Cb 0.62 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1cee h LYS 166 CO -0.54 0.87 0.69 -0.91 -2.27 0.00 0.00 179.45 177.29 1cee h ASN 167 N -0.45 0.39 0.60 4.20 2.35 -1.80 -1.40 115.58 119.47 1cee h ASN 167 Ca -0.02 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1cee h ASN 167 Cb 0.93 0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.32 1cee h ASN 167 CO 0.04 0.07 -0.29 0.58 -1.65 0.00 0.00 177.43 176.18 1cee h VAL 168 N 0.34 0.00 -0.64 2.81 2.07 -1.25 -1.89 116.25 117.68 1cee h VAL 168 Ca 0.59 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 68.24 1cee h VAL 168 Cb 1.60 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1cee h VAL 168 CO -0.27 0.00 0.44 -0.26 0.02 0.00 0.00 177.57 177.50 1cee h PHE 169 N -0.82 0.30 0.00 1.57 0.04 -1.53 0.29 116.94 116.79 1cee h PHE 169 Ca -0.08 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 1cee h PHE 169 Cb 0.62 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1cee h PHE 169 CO 0.09 0.12 -0.21 0.22 -0.60 0.00 0.00 178.31 177.93 1cee h ASP 170 N 0.26 0.00 0.52 2.17 1.82 -1.05 -2.64 116.42 117.50 1cee h ASP 170 Ca 0.31 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.66 1cee h ASP 170 Cb 0.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1cee h ASP 170 CO -0.07 0.21 -1.39 -0.33 -1.61 0.00 0.00 179.24 176.06 1cee h GLU 171 N 0.00 0.29 0.57 0.28 5.08 0.37 -3.13 114.58 118.04 1cee h GLU 171 Ca -0.00 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1cee h GLU 171 Cb 0.43 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1cee h GLU 171 CO 0.03 1.19 -0.29 0.00 -1.00 0.00 0.00 179.01 178.94 1cee h ALA 172 N 0.51 -1.19 -0.20 3.43 0.00 -1.03 0.15 119.26 120.92 1cee h ALA 172 Ca -0.19 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1cee h ALA 172 Cb 2.01 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1cee h ALA 172 CO 0.19 -1.14 -0.44 0.82 0.00 0.00 0.00 179.25 178.68 1cee h ILE 173 N -0.79 0.11 -0.94 0.00 2.04 -1.67 1.37 117.51 117.63 1cee h ILE 173 Ca -0.08 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.06 1cee h ILE 173 Cb 0.61 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1cee h ILE 173 CO 0.12 0.00 0.71 0.25 0.00 0.00 0.00 178.15 179.23 1cee h LEU 174 N -0.47 0.00 0.08 1.44 5.85 -1.54 0.15 115.31 120.83 1cee h LEU 174 Ca 0.08 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 1cee h LEU 174 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1cee h LEU 174 CO -0.45 0.00 -0.94 0.00 -0.34 0.00 0.00 178.44 176.72 1cee h ALA 175 N 1.46 0.08 -0.64 1.25 0.00 0.30 -3.35 119.26 118.36 1cee h ALA 175 Ca 0.45 -0.88 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1cee h ALA 175 Cb 1.87 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1cee h ALA 175 CO -0.00 0.52 0.43 0.00 0.00 0.00 0.00 179.25 180.19 1cee h ALA 176 N -0.06 1.63 -3.67 0.00 0.00 0.35 -3.44 119.26 114.07 1cee h ALA 176 Ca -0.20 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1cee h ALA 176 Cb 1.51 -0.22 0.08 0.00 0.00 0.00 0.00 17.79 19.16 1cee h ALA 176 CO 0.04 0.31 0.19 1.28 0.00 0.00 0.00 179.25 181.07 1cee n LEU 177 N -4.46 0.00 -3.56 0.00 4.77 0.33 -4.80 117.00 109.28 1cee n LEU 177 Ca 0.08 -0.83 -0.07 0.00 -0.03 0.00 0.00 56.01 55.16 1cee n LEU 177 Cb 0.11 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1cee n LEU 177 CO 0.35 -0.95 0.70 -1.83 -1.33 0.00 0.00 177.39 174.33 1cee s GLU 178 N -4.39 0.89 0.00 3.23 -1.05 -1.26 -4.96 118.70 111.16 1cee s GLU 178 Ca 0.39 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 1cee s GLU 178 Cb -0.01 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1cee s GLU 178 CO 0.27 -0.40 0.04 -2.30 0.95 0.00 0.00 175.26 173.82