#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 4.27 -0.01 2.12 -0.44 -1.26 -5.04 119.66 119.30 1cee s GLN 2 Ca 0.00 0.88 -0.01 0.00 -2.50 0.00 0.00 55.36 53.73 1cee s GLN 2 Cb 0.00 -2.90 0.00 0.00 -1.64 0.00 0.00 33.01 28.47 1cee s GLN 2 CO 0.00 0.41 0.03 0.99 0.50 0.00 0.00 175.29 177.22 1cee s THR 3 N -1.50 -0.00 0.13 -0.34 2.01 -1.26 -2.95 115.64 111.73 1cee s THR 3 Ca 0.42 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.35 1cee s THR 3 Cb -0.17 -0.05 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 1cee s THR 3 CO 0.21 0.00 0.43 -0.63 -0.69 0.00 0.00 174.62 173.94 1cee s ILE 4 N 0.03 5.08 -0.16 1.82 1.09 -0.31 -4.92 121.20 123.83 1cee s ILE 4 Ca -0.00 0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.87 1cee s ILE 4 Cb -0.00 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 1cee s ILE 4 CO -0.00 0.13 -0.16 -0.75 -0.10 0.00 0.00 174.94 174.05 1cee s LYS 5 N -2.36 3.17 0.02 2.79 2.47 -1.26 0.17 119.74 124.73 1cee s LYS 5 Ca 0.39 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1cee s LYS 5 Cb -0.13 -2.60 -0.02 0.00 -1.46 0.00 0.00 37.83 33.62 1cee s LYS 5 CO 0.21 -0.02 -0.03 0.00 0.16 0.00 0.00 175.35 175.67 1cee s VAL 7 N -1.16 1.43 -0.41 0.00 0.11 -1.24 -2.30 120.40 116.83 1cee s VAL 7 Ca -0.12 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.08 1cee s VAL 7 Cb -0.08 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1cee s VAL 7 CO -0.01 0.43 0.86 -0.69 -3.33 0.00 0.00 175.10 172.36 1cee s VAL 8 N 1.00 4.61 -0.15 2.04 1.01 0.28 -1.53 120.40 127.66 1cee s VAL 8 Ca -0.07 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1cee s VAL 8 Cb -0.15 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1cee s VAL 8 CO -0.01 -0.62 -0.11 0.68 0.00 0.00 0.00 175.10 175.04 1cee s VAL 9 N 3.42 3.14 0.15 2.92 -7.23 0.23 -3.01 120.40 120.02 1cee s VAL 9 Ca 0.35 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 1cee s VAL 9 Cb -0.12 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1cee s VAL 9 CO 0.21 0.51 0.27 -0.83 -0.31 0.00 0.00 175.10 174.95 1cee s GLY 10 N 0.55 0.40 -0.16 2.32 0.00 -1.26 -1.94 107.32 107.22 1cee s GLY 10 Ca -0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 43.73 1cee s GLY 10 CO 0.04 -0.82 0.14 -0.35 0.00 0.00 0.00 173.10 172.11 1cee s ASP 11 N -2.95 6.29 0.27 1.64 -1.08 -1.26 -4.64 116.67 114.95 1cee s ASP 11 Ca 0.15 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1cee s ASP 11 Cb 0.04 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1cee s ASP 11 CO -0.02 0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.55 1cee n GLY 12 N 2.89 0.96 2.68 2.66 0.00 -1.25 -3.73 105.19 109.40 1cee n GLY 12 Ca -0.17 0.73 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 0.90 -0.03 4.61 0.00 -1.26 -4.77 121.76 120.21 1cee s ALA 13 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1cee s ALA 13 Cb 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 1cee s ALA 13 CO 0.00 -1.32 0.08 1.33 0.00 0.00 0.00 175.76 175.86 1cee n VAL 14 N 5.10 0.19 0.00 0.00 0.24 -1.24 -4.97 118.33 117.64 1cee n VAL 14 Ca -0.07 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1cee n VAL 14 Cb 0.46 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1cee n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cee n GLY 15 N 2.37 0.69 0.03 7.63 0.00 -1.26 -4.04 105.19 110.61 1cee n GLY 15 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.20 -0.13 1.61 5.02 -1.26 -3.00 118.16 120.60 1cee n LYS 16 Ca 0.00 0.36 0.28 0.00 -2.02 0.00 0.00 58.31 56.93 1cee n LYS 16 Cb 0.00 -1.16 0.67 0.00 -0.02 0.00 0.00 35.03 34.52 1cee n LYS 16 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1cee h THR 17 N -0.44 0.26 0.01 -0.18 2.02 -1.98 1.49 112.91 114.10 1cee h THR 17 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 1cee h THR 17 Cb 0.23 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1cee h THR 17 CO 0.00 0.00 -1.16 0.00 0.37 0.00 0.00 175.52 174.73 1cee h LEU 19 N 0.01 0.35 -0.63 0.00 7.12 0.21 -2.89 115.31 119.48 1cee h LEU 19 Ca -0.08 -0.30 -0.13 0.00 0.13 0.00 0.00 57.88 57.51 1cee h LEU 19 Cb 1.84 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.85 1cee h LEU 19 CO 0.13 1.12 -0.32 -0.07 -0.13 0.00 0.00 178.44 179.17 1cee h LEU 20 N 0.14 0.75 0.46 2.25 3.38 -1.04 -2.52 115.31 118.72 1cee h LEU 20 Ca -0.07 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1cee h LEU 20 Cb 1.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1cee h LEU 20 CO 0.15 1.01 -0.22 0.40 0.09 0.00 0.00 178.44 179.87 1cee h ILE 21 N 0.61 0.51 0.00 1.22 1.08 -1.49 -2.74 117.51 116.70 1cee h ILE 21 Ca 0.07 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1cee h ILE 21 Cb 0.84 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1cee h ILE 21 CO 0.07 0.05 0.00 -1.20 -0.69 0.00 0.00 178.15 176.38 1cee n SER 22 N -5.28 0.00 0.09 1.72 7.64 -1.09 0.61 113.62 117.29 1cee n SER 22 Ca -0.11 0.49 -0.11 0.00 1.01 0.00 0.00 58.87 60.15 1cee n SER 22 Cb 0.29 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 1cee n SER 22 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1cee h TYR 23 N 0.00 0.32 0.00 1.43 3.20 -1.14 -2.60 116.97 118.17 1cee h TYR 23 Ca 0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1cee h TYR 23 Cb 0.19 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1cee h TYR 23 CO 0.00 1.08 -0.85 -2.37 -1.64 0.00 0.00 178.16 174.38 1cee n THR 24 N -3.57 0.00 -0.01 1.81 5.66 -1.00 -4.73 114.28 112.44 1cee n THR 24 Ca -0.05 -0.04 0.05 0.00 -3.05 0.00 0.00 64.05 60.96 1cee n THR 24 Cb 0.90 0.51 -0.09 0.00 -1.55 0.00 0.00 70.33 70.10 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cee n THR 25 N -1.35 0.07 -1.45 1.09 -2.24 0.20 -5.00 114.28 105.60 1cee n THR 25 Ca 0.00 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1cee n THR 25 Cb 0.00 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.95 -4.46 -4.85 3.42 5.15 -0.98 -4.92 115.26 106.67 1cee n ASN 26 Ca -0.04 0.28 -0.25 0.00 -0.60 0.00 0.00 54.58 53.97 1cee n ASN 26 Cb 0.35 -3.12 -0.04 0.00 -0.53 0.00 0.00 39.78 36.44 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1cee s LYS 27 N -3.21 3.06 -0.83 1.20 2.47 -1.26 -4.89 119.74 116.28 1cee s LYS 27 Ca 0.00 -0.83 -0.07 0.00 -1.56 0.00 0.00 55.97 53.51 1cee s LYS 27 Cb 0.00 -2.72 0.21 0.00 -1.46 0.00 0.00 37.83 33.86 1cee s LYS 27 CO 0.00 0.48 0.73 0.12 0.16 0.00 0.00 175.35 176.84 1cee s PHE 28 N -1.82 3.77 0.99 4.03 5.36 -1.26 -3.03 117.98 126.02 1cee s PHE 28 Ca 0.32 -2.56 -0.11 0.00 -0.96 0.00 0.00 56.93 53.62 1cee s PHE 28 Cb -0.10 -3.51 0.19 0.00 -0.34 0.00 0.00 43.02 39.26 1cee s PHE 28 CO 0.25 -0.88 1.09 -1.25 -1.46 0.00 0.00 175.22 172.97 1cee s PRO 29 N -0.50 0.45 0.00 10.12 0.04 -1.26 -5.00 135.00 138.85 1cee s PRO 29 Ca 0.22 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1cee s PRO 29 Cb -0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1cee s PRO 29 CO -0.08 -2.89 0.00 0.43 0.04 0.00 0.00 177.00 174.50 1cee n SER 30 N -4.37 1.55 -4.64 6.66 7.64 -1.26 -4.99 113.62 114.21 1cee n SER 30 Ca 0.08 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.52 1cee n SER 30 Cb 0.53 0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.72 1.74 -3.68 1.43 2.13 -1.26 -4.98 120.64 114.31 1cee n GLU 31 Ca 0.00 0.61 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 1cee n GLU 31 Cb 0.19 -2.11 -0.15 0.00 0.27 0.00 0.00 31.44 29.63 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1cee s TYR 32 N -0.88 1.38 0.12 4.31 5.04 -1.26 -4.91 117.35 121.16 1cee s TYR 32 Ca 0.60 -1.60 0.00 0.00 -2.44 0.00 0.00 57.07 53.62 1cee s TYR 32 Cb -0.65 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1cee s TYR 32 CO 0.59 -0.86 0.00 1.33 -1.34 0.00 0.00 175.55 175.27 1cee n VAL 33 N 4.79 0.00 -1.99 3.14 0.24 -1.26 -5.06 118.33 118.19 1cee n VAL 33 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.03 1cee n VAL 33 Cb 0.41 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 1cee n VAL 33 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1cee s PRO 34 N -1.83 2.31 -0.01 7.34 0.04 -1.26 -4.40 135.00 137.19 1cee s PRO 34 Ca 0.00 -0.86 0.01 0.00 0.04 0.00 0.00 61.00 60.19 1cee s PRO 34 Cb 0.00 -5.16 0.01 0.00 0.04 0.00 0.00 34.50 29.39 1cee s PRO 34 CO 0.00 -4.09 0.88 2.41 0.04 0.00 0.00 177.00 176.24 1cee n THR 35 N 8.01 0.10 0.00 1.26 -1.04 -1.26 -4.91 114.28 116.43 1cee n THR 35 Ca 0.44 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1cee n THR 35 Cb 0.47 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 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 -0.07 0.00 -3.27 12.58 0.31 -1.26 -2.86 118.33 123.76 1cee n VAL 36 Ca 0.01 1.50 -0.06 0.00 -0.01 0.00 0.00 64.34 65.77 1cee n VAL 36 Cb 0.64 -2.33 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.98 -1.18 -0.22 3.52 5.36 -1.25 -2.84 117.98 118.40 1cee s PHE 37 Ca 0.00 -0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 55.78 1cee s PHE 37 Cb 0.00 0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.68 1cee s PHE 37 CO 0.00 -1.09 0.07 -0.51 -1.46 0.00 0.00 175.22 172.23 1cee s ASP 38 N 1.75 5.45 -0.26 6.13 1.01 -1.20 -4.98 116.67 124.57 1cee s ASP 38 Ca 0.16 -0.05 -0.07 0.00 0.71 0.00 0.00 52.55 53.30 1cee s ASP 38 Cb -0.09 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1cee s ASP 38 CO -0.07 0.07 0.06 0.21 0.21 0.00 0.00 175.17 175.65 1cee s ASN 39 N 0.99 5.03 0.14 0.27 3.04 -1.26 -2.82 114.94 120.32 1cee s ASN 39 Ca 0.04 -0.39 0.09 0.00 0.04 0.00 0.00 52.86 52.64 1cee s ASN 39 Cb -0.14 -1.89 -0.04 0.00 -1.54 0.00 0.00 41.25 37.64 1cee s ASN 39 CO 0.03 -0.09 -0.21 -0.31 -3.04 0.00 0.00 177.10 173.48 1cee s TYR 40 N 1.56 1.96 -0.10 0.43 2.02 -0.70 -5.04 117.35 117.48 1cee s TYR 40 Ca 0.05 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1cee s TYR 40 Cb -0.16 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1cee s TYR 40 CO 0.02 0.32 -0.07 0.00 -1.57 0.00 0.00 175.55 174.25 1cee s ALA 41 N -1.53 1.20 0.07 3.71 0.00 -1.26 -1.47 121.76 122.47 1cee s ALA 41 Ca 0.13 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1cee s ALA 41 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1cee s ALA 41 CO 0.06 -0.36 0.14 0.08 0.00 0.00 0.00 175.76 175.68 1cee s VAL 42 N 1.63 4.94 -0.36 0.00 1.01 -1.08 -4.92 120.40 121.63 1cee s VAL 42 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1cee s VAL 42 Cb -0.13 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.96 1cee s VAL 42 CO -0.06 0.14 0.09 -0.89 0.00 0.00 0.00 175.10 174.38 1cee s THR 43 N -1.43 2.79 0.16 3.92 2.01 -1.26 -0.20 115.64 121.63 1cee s THR 43 Ca 0.32 -2.03 0.06 0.00 0.31 0.00 0.00 61.69 60.35 1cee s THR 43 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1cee s THR 43 CO 0.24 -0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.02 1cee s VAL 44 N 1.07 4.06 -1.01 3.82 1.01 -0.94 -4.87 120.40 123.53 1cee s VAL 44 Ca 0.06 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 1cee s VAL 44 Cb -0.21 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.24 1cee s VAL 44 CO -0.05 -0.09 1.28 -0.04 0.00 0.00 0.00 175.10 176.20 1cee s MET 45 N -2.96 3.68 -0.11 2.72 -1.94 -1.26 0.14 119.30 119.57 1cee s MET 45 Ca 0.29 -1.71 -0.04 0.00 -1.71 0.00 0.00 55.69 52.52 1cee s MET 45 Cb -0.10 -5.08 -0.04 0.00 2.01 0.00 0.00 34.83 31.62 1cee s MET 45 CO 0.21 -1.91 0.06 0.42 -0.01 0.00 0.00 175.02 173.78 1cee s ILE 46 N 3.22 4.78 -1.90 2.53 1.01 0.13 -4.41 121.20 126.55 1cee s ILE 46 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1cee s ILE 46 Cb -0.03 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1cee s ILE 46 CO -0.08 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1cee n GLY 47 N 2.22 1.60 1.54 6.18 0.00 -1.26 -0.60 105.19 114.87 1cee n GLY 47 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 0.54 3.18 -0.02 0.00 -1.26 -5.05 105.19 102.21 1cee n GLY 48 Ca -0.18 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.69 0.62 -0.82 1.61 2.02 0.23 -5.09 118.70 115.58 1cee s GLU 49 Ca 0.00 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 1cee s GLU 49 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 1cee s GLU 49 CO 0.00 -0.17 1.91 -1.25 0.02 0.00 0.00 175.26 175.77 1cee s PRO 50 N -1.68 2.60 0.91 0.39 0.04 -1.26 0.17 135.00 136.16 1cee s PRO 50 Ca -0.12 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 60.78 1cee s PRO 50 Cb -0.05 -4.86 0.20 0.00 0.04 0.00 0.00 34.50 29.83 1cee s PRO 50 CO 0.01 -3.16 1.25 0.71 0.04 0.00 0.00 177.00 175.85 1cee s TYR 51 N 9.68 1.28 -0.04 0.56 1.51 0.36 -4.86 117.35 125.84 1cee s TYR 51 Ca 0.69 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.78 1cee s TYR 51 Cb -0.08 -3.83 0.01 0.00 -0.11 0.00 0.00 41.96 37.95 1cee s TYR 51 CO 0.06 -2.52 -0.08 0.99 -1.11 0.00 0.00 175.55 172.89 1cee s THR 52 N -3.70 0.75 -0.19 -0.71 2.01 -1.15 -2.22 115.64 110.43 1cee s THR 52 Ca 0.74 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 1cee s THR 52 Cb -0.03 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1cee s THR 52 CO 0.51 0.26 0.09 -0.22 -0.69 0.00 0.00 174.62 174.57 1cee s LEU 53 N 0.61 3.98 -0.66 4.42 2.96 0.72 -1.16 118.68 129.55 1cee s LEU 53 Ca -0.10 0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.73 1cee s LEU 53 Cb -0.13 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.61 1cee s LEU 53 CO 0.01 0.18 0.98 -0.83 -1.32 0.00 0.00 176.35 175.38 1cee s GLY 54 N 0.33 1.34 -0.34 7.98 0.00 0.44 -2.62 107.32 114.44 1cee s GLY 54 Ca 0.05 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 42.79 1cee s GLY 54 CO -0.01 2.09 0.48 1.08 0.00 0.00 0.00 173.10 176.75 1cee s LEU 55 N 4.15 4.35 -0.13 0.66 1.02 -0.54 -1.47 118.68 126.72 1cee s LEU 55 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.34 1cee s LEU 55 Cb -0.16 -2.54 0.03 0.00 0.02 0.00 0.00 46.19 43.54 1cee s LEU 55 CO 0.11 -0.44 -0.05 -0.36 0.02 0.00 0.00 176.35 175.62 1cee s PHE 56 N 2.32 1.44 -0.15 0.29 0.40 -0.97 -1.72 117.98 119.58 1cee s PHE 56 Ca 0.17 -0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 55.66 1cee s PHE 56 Cb -0.16 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1cee s PHE 56 CO 0.13 -0.53 -0.00 0.16 0.70 0.00 0.00 175.22 175.68 1cee s ASP 57 N 1.72 5.13 0.42 1.36 1.47 -1.13 0.98 116.67 126.62 1cee s ASP 57 Ca 0.03 -0.02 0.07 0.00 1.18 0.00 0.00 52.55 53.82 1cee s ASP 57 Cb -0.14 -1.79 -0.05 0.00 -0.34 0.00 0.00 42.92 40.61 1cee s ASP 57 CO -0.08 0.21 0.18 0.42 0.68 0.00 0.00 175.17 176.58 1cee s THR 58 N 0.15 2.27 1.09 2.11 -4.23 -1.16 -3.22 115.64 112.64 1cee s THR 58 Ca 0.01 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 58.65 1cee s THR 58 Cb -0.13 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 70.98 1cee s THR 58 CO 0.02 0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.29 1cee s ALA 59 N -2.61 1.31 -0.10 3.99 0.00 -1.13 -4.77 121.76 118.44 1cee s ALA 59 Ca 0.40 -1.01 0.15 0.00 0.00 0.00 0.00 51.96 51.50 1cee s ALA 59 Cb 0.04 -2.86 0.32 0.00 0.00 0.00 0.00 23.12 20.62 1cee s ALA 59 CO 0.22 -3.06 1.15 0.41 0.00 0.00 0.00 175.76 174.49 1cee n GLY 60 N -2.11 3.29 3.67 0.00 0.00 -1.26 -4.72 105.19 104.07 1cee n GLY 60 Ca 0.13 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1cee n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cee s GLN 61 N -1.82 2.08 -0.10 1.61 -0.21 -1.26 -3.83 119.66 116.14 1cee s GLN 61 Ca 0.29 -2.29 0.10 0.00 0.02 0.00 0.00 55.36 53.48 1cee s GLN 61 Cb 0.29 -1.33 -0.24 0.00 1.00 0.00 0.00 33.01 32.73 1cee s GLN 61 CO -0.06 -0.32 0.46 0.39 -2.12 0.00 0.00 175.29 173.64 1cee n GLU 62 N -1.12 0.67 0.22 2.91 1.02 -1.26 -4.05 120.64 119.03 1cee n GLU 62 Ca -0.13 0.23 0.17 0.00 -0.02 0.00 0.00 57.16 57.41 1cee n GLU 62 Cb 0.67 -1.72 0.85 0.00 -0.02 0.00 0.00 31.44 31.21 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1cee h ASP 63 N 0.01 0.00 -0.44 1.62 5.19 -2.04 0.21 116.42 120.97 1cee h ASP 63 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1cee h ASP 63 Cb 2.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.56 1cee h ASP 63 CO 0.06 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.96 1cee n TYR 64 N -3.76 1.46 0.14 4.55 4.02 -1.26 -4.24 117.16 118.08 1cee n TYR 64 Ca 0.01 -0.52 -0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1cee n TYR 64 Cb 0.30 -0.36 0.24 0.00 -0.02 0.00 0.00 39.34 39.51 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 3.01 0.06 -0.73 7.72 1.82 -0.77 -1.22 116.42 126.32 1cee h ASP 65 Ca 0.00 -0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.70 1cee h ASP 65 Cb 1.50 -0.02 -0.07 0.00 0.68 0.00 0.00 39.33 41.43 1cee h ASP 65 CO 0.32 0.55 0.38 0.03 -1.61 0.00 0.00 179.24 178.92 1cee h ARG 66 N 0.05 0.64 -0.27 0.28 2.47 -1.79 -2.65 114.38 113.11 1cee h ARG 66 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1cee h ARG 66 Cb 0.89 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1cee h ARG 66 CO 0.07 0.42 0.00 1.47 0.56 0.00 0.00 179.97 182.49 1cee n LEU 67 N -4.82 3.23 0.19 3.04 -0.00 -1.18 -4.70 117.00 112.76 1cee n LEU 67 Ca 0.11 -2.48 -0.11 0.00 -0.00 0.00 0.00 56.01 53.54 1cee n LEU 67 Cb 0.26 -0.36 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 1cee n LEU 67 CO 0.26 0.69 0.33 -0.09 -0.00 0.00 0.00 177.39 178.58 1cee h ARG 68 N 1.69 -0.52 0.00 1.47 2.43 -0.84 -3.19 114.38 115.41 1cee h ARG 68 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1cee h ARG 68 Cb 1.02 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1cee h ARG 68 CO 0.09 -0.25 0.23 -1.00 -1.51 0.00 0.00 179.97 177.53 1cee h PRO 69 N -1.06 0.00 0.00 0.20 0.13 -1.84 -0.65 132.00 128.78 1cee h PRO 69 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1cee h PRO 69 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1cee h PRO 69 CO 0.09 0.00 0.01 -0.07 -0.23 0.00 0.00 178.00 177.80 1cee h LEU 70 N 0.00 0.00 -2.02 1.56 4.07 -1.87 -0.82 115.31 116.23 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 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1cee h LEU 70 CO 0.00 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 177.12 1cee n SER 71 N -2.50 2.96 -2.48 -0.43 2.88 -0.25 -4.22 113.62 109.58 1cee n SER 71 Ca -0.02 -2.05 -0.12 0.00 -1.33 0.00 0.00 58.87 55.35 1cee n SER 71 Cb 0.05 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.17 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1cee n TYR 72 N 1.01 2.00 -0.61 0.66 4.02 -0.31 -4.82 117.16 119.10 1cee n TYR 72 Ca 0.18 -2.31 0.49 0.00 -0.01 0.00 0.00 57.90 56.25 1cee n TYR 72 Cb 0.48 -0.27 0.75 0.00 -0.02 0.00 0.00 39.34 40.28 1cee n TYR 72 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1cee h PRO 73 N 2.48 0.00 0.00 -0.72 0.11 -1.74 -3.17 132.00 128.95 1cee h PRO 73 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1cee h PRO 73 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1cee h PRO 73 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1cee n GLN 74 N -3.80 0.00 -1.41 1.05 10.64 -1.26 -5.15 117.38 117.45 1cee n GLN 74 Ca 0.40 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 55.14 1cee n GLN 74 Cb 1.93 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 31.30 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1cee n THR 75 N 0.00 1.49 -0.04 -0.39 -1.04 -1.20 -4.95 114.28 108.14 1cee n THR 75 Ca 0.00 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1cee n THR 75 Cb 0.00 -0.30 -0.01 0.00 -1.82 0.00 0.00 70.33 68.20 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 1.74 1.01 -4.90 8.00 9.92 -1.00 -4.99 116.55 126.33 1cee n ASP 76 Ca 0.13 0.37 -0.22 0.00 -0.53 0.00 0.00 54.79 54.54 1cee n ASP 76 Cb 0.36 -0.68 -0.01 0.00 -0.64 0.00 0.00 41.12 40.15 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 -1.79 2.26 -0.01 2.53 0.11 -1.19 -2.57 120.40 119.73 1cee s VAL 77 Ca -0.10 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 1cee s VAL 77 Cb 0.01 -2.61 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1cee s VAL 77 CO 0.15 0.00 0.00 -0.36 -3.33 0.00 0.00 175.10 171.57 1cee s PHE 78 N -2.60 0.13 -0.58 1.54 0.40 -1.09 -3.65 117.98 112.14 1cee s PHE 78 Ca 0.45 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.67 1cee s PHE 78 Cb -0.03 -0.18 0.15 0.00 0.51 0.00 0.00 43.02 43.46 1cee s PHE 78 CO 0.27 -0.05 0.51 -0.51 0.70 0.00 0.00 175.22 176.14 1cee s LEU 79 N 0.47 6.12 -0.96 -0.37 1.43 -0.58 -0.28 118.68 124.51 1cee s LEU 79 Ca -0.04 -2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 50.88 1cee s LEU 79 Cb -0.06 -2.14 0.23 0.00 0.03 0.00 0.00 46.19 44.25 1cee s LEU 79 CO -0.01 -0.73 0.97 -0.69 0.23 0.00 0.00 176.35 176.11 1cee s VAL 80 N 1.17 5.61 -0.42 -1.59 1.01 -1.05 0.75 120.40 125.88 1cee s VAL 80 Ca 0.07 -2.71 -0.27 0.00 0.00 0.00 0.00 61.98 59.08 1cee s VAL 80 Cb -0.25 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.58 1cee s VAL 80 CO -0.01 -1.17 1.00 0.00 0.00 0.00 0.00 175.10 174.92 1cee s PHE 82 N 3.85 2.65 -0.20 0.00 -0.71 -0.59 -4.20 117.98 118.77 1cee s PHE 82 Ca 0.41 -0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 55.81 1cee s PHE 82 Cb -0.10 -1.61 -0.04 0.00 -1.21 0.00 0.00 43.02 40.05 1cee s PHE 82 CO 0.24 0.15 1.94 -1.12 -1.34 0.00 0.00 175.22 175.09 1cee s SER 83 N -0.70 5.94 0.46 1.98 0.01 -1.26 -2.20 113.70 117.93 1cee s SER 83 Ca 0.11 1.83 0.14 0.00 1.31 0.00 0.00 55.95 59.33 1cee s SER 83 Cb -0.11 -2.52 1.09 0.00 0.21 0.00 0.00 66.02 64.69 1cee s SER 83 CO 0.00 -1.59 2.06 0.58 0.41 0.00 0.00 173.24 174.70 1cee h VAL 84 N 6.58 0.97 -0.64 3.43 2.07 -1.64 0.15 116.25 127.18 1cee h VAL 84 Ca -0.39 -0.10 -0.31 0.00 0.82 0.00 0.00 66.70 66.72 1cee h VAL 84 Cb 1.20 0.66 -0.19 0.00 -1.52 0.00 0.00 31.29 31.45 1cee h VAL 84 CO 0.98 0.05 0.40 1.33 0.02 0.00 0.00 177.57 180.35 1cee n VAL 85 N -4.48 2.42 -3.30 2.57 0.24 -1.26 0.86 118.33 115.37 1cee n VAL 85 Ca 0.04 -1.25 -0.10 0.00 -2.04 0.00 0.00 64.34 60.99 1cee n VAL 85 Cb 0.22 -0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 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 -0.54 0.19 0.61 -1.34 0.15 0.04 -4.53 113.70 108.29 1cee s SER 86 Ca 0.38 -1.00 0.30 0.00 0.70 0.00 0.00 55.95 56.33 1cee s SER 86 Cb 0.32 1.11 1.69 0.00 -1.71 0.00 0.00 66.02 67.42 1cee s SER 86 CO 0.08 -0.26 2.06 -0.65 1.20 0.00 0.00 173.24 175.66 1cee h PRO 87 N 7.37 0.00 0.50 5.44 0.11 -1.77 -2.81 132.00 140.84 1cee h PRO 87 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1cee h PRO 87 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1cee h PRO 87 CO 0.19 0.00 -0.50 1.03 -0.21 0.00 0.00 178.00 178.51 1cee h SER 88 N 0.00 -1.38 -0.71 -2.05 0.87 -1.94 1.20 113.55 109.53 1cee h SER 88 Ca 0.09 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1cee h SER 88 Cb 0.60 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 62.96 1cee h SER 88 CO -0.00 -0.67 0.41 0.77 -0.53 0.00 0.00 176.83 176.81 1cee h SER 89 N -1.00 0.61 -0.41 6.23 4.64 -1.81 -1.35 113.55 120.45 1cee h SER 89 Ca -0.06 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1cee h SER 89 Cb 0.87 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1cee h SER 89 CO -0.07 0.39 0.13 0.15 -0.87 0.00 0.00 176.83 176.56 1cee h PHE 90 N 0.74 0.66 -0.30 4.77 3.04 -1.47 0.36 116.94 124.74 1cee h PHE 90 Ca 0.32 -0.07 0.09 0.00 3.98 0.00 0.00 57.97 62.29 1cee h PHE 90 Cb 0.19 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1cee h PHE 90 CO -0.07 0.61 0.24 0.93 -2.02 0.00 0.00 178.31 178.00 1cee h GLU 91 N 0.52 0.00 0.00 1.11 4.39 0.21 0.15 114.58 120.96 1cee h GLU 91 Ca 0.13 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.65 1cee h GLU 91 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1cee h GLU 91 CO -0.00 0.00 -1.35 -0.91 -1.16 0.00 0.00 179.01 175.58 1cee h ASN 92 N 0.00 0.00 -0.44 1.42 4.21 -0.41 -3.00 115.58 117.36 1cee h ASN 92 Ca 0.14 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 1cee h ASN 92 Cb 0.62 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 1cee h ASN 92 CO -0.00 0.65 -0.15 0.58 -1.29 0.00 0.00 177.43 177.23 1cee h VAL 93 N 0.00 1.27 0.00 2.81 2.07 0.24 1.67 116.25 124.30 1cee h VAL 93 Ca -0.16 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1cee h VAL 93 Cb 1.64 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1cee h VAL 93 CO 0.06 0.44 -0.43 2.29 0.02 0.00 0.00 177.57 179.95 1cee n LYS 94 N -4.14 0.17 -2.72 1.57 2.85 -0.27 -3.14 118.16 112.48 1cee n LYS 94 Ca 0.01 0.07 -0.04 0.00 -1.05 0.00 0.00 58.31 57.29 1cee n LYS 94 Cb 0.41 -1.62 0.09 0.00 -0.65 0.00 0.00 35.03 33.26 1cee n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cee n GLU 95 N -1.87 1.36 0.03 -1.58 -0.58 -1.07 -4.82 120.64 112.11 1cee n GLU 95 Ca 0.05 -2.30 0.00 0.00 -0.42 0.00 0.00 57.16 54.49 1cee n GLU 95 Cb 0.40 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 1cee n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cee n LYS 96 N -0.80 0.00 0.00 3.49 3.00 0.49 -4.77 118.16 119.58 1cee n LYS 96 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.27 1cee n LYS 96 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.87 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 -0.04 -0.57 5.64 4.06 0.52 -2.98 115.95 122.57 1cee h TRP 97 Ca 0.00 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.01 1cee h TRP 97 Cb 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.12 1cee h TRP 97 CO 0.00 -0.03 0.27 0.28 -3.56 0.00 0.00 178.44 175.40 1cee h VAL 98 N -0.35 0.89 -0.77 1.49 2.07 -1.76 -1.76 116.25 116.05 1cee h VAL 98 Ca -0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1cee h VAL 98 Cb 0.04 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1cee h VAL 98 CO 0.01 0.09 0.51 -0.65 0.02 0.00 0.00 177.57 177.55 1cee h PRO 99 N 0.50 0.89 -0.05 1.57 0.11 -1.82 0.41 132.00 133.60 1cee h PRO 99 Ca 0.27 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1cee h PRO 99 Cb 0.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1cee h PRO 99 CO -0.22 0.59 -0.09 0.93 -0.21 0.00 0.00 178.00 179.01 1cee h GLU 100 N 0.92 0.07 0.00 1.05 4.39 -1.16 -2.76 114.58 117.09 1cee h GLU 100 Ca 0.31 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.67 1cee h GLU 100 Cb 0.09 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 1cee h GLU 100 CO -0.10 0.16 -2.07 0.44 -1.16 0.00 0.00 179.01 176.29 1cee n ILE 101 N -4.39 1.49 0.17 3.13 -5.35 -0.56 -4.05 119.36 109.80 1cee n ILE 101 Ca -0.02 -0.83 0.19 0.00 -0.27 0.00 0.00 62.75 61.82 1cee n ILE 101 Cb 0.19 -0.74 0.78 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.00 0.30 0.17 7.28 1.35 0.05 1.16 112.91 123.22 1cee h THR 102 Ca -0.42 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.14 1cee h THR 102 Cb 2.14 0.69 0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1cee h THR 102 CO 0.05 0.00 -1.34 -0.74 -0.25 0.00 0.00 175.52 173.24 1cee h HIS 103 N 0.00 0.66 0.02 4.73 -0.00 -1.67 -2.36 115.15 116.54 1cee h HIS 103 Ca 0.13 -0.48 -0.27 0.00 -0.00 0.00 0.00 60.37 59.74 1cee h HIS 103 Cb 0.86 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.21 1cee h HIS 103 CO 0.00 1.38 -1.51 0.45 -0.00 0.00 0.00 177.93 178.26 1cee h HIS 104 N 0.10 0.08 -0.85 5.26 -0.00 -0.88 -3.44 115.15 115.43 1cee h HIS 104 Ca -0.18 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.03 1cee h HIS 104 Cb 2.04 -0.00 -0.16 0.00 -0.00 0.00 0.00 27.41 29.29 1cee h HIS 104 CO 0.09 1.09 -0.42 0.00 -0.00 0.00 0.00 177.93 178.69 1cee n PRO 106 N 3.13 0.60 -0.10 0.00 -0.04 -0.89 -3.13 135.00 134.58 1cee n PRO 106 Ca 0.16 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1cee n PRO 106 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.07 0.91 -1.60 0.54 -0.00 -1.26 -4.99 118.16 110.69 1cee n LYS 107 Ca 0.15 0.05 -0.45 0.00 -0.00 0.00 0.00 58.31 58.06 1cee n LYS 107 Cb 0.10 -1.44 -0.02 0.00 -0.00 0.00 0.00 35.03 33.67 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 -2.86 1.67 -1.58 0.58 -2.24 -1.18 -4.89 114.28 103.78 1cee n THR 108 Ca -0.33 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 60.64 1cee n THR 108 Cb 1.00 -1.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.05 1.03 -3.76 -0.78 -0.04 -1.06 -4.94 135.00 126.50 1cee n PRO 109 Ca 0.11 0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 1cee n PRO 109 Cb 0.31 -2.01 -0.15 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.44 1.76 -0.35 0.54 0.08 -1.26 -2.66 117.98 114.65 1cee s PHE 110 Ca 0.68 -1.68 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1cee s PHE 110 Cb -0.49 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1cee s PHE 110 CO 0.53 -0.84 1.13 -1.17 -0.10 0.00 0.00 175.22 174.77 1cee s LEU 111 N 1.60 3.86 -0.36 -0.37 1.98 0.62 -1.96 118.68 124.06 1cee s LEU 111 Ca 0.07 0.96 -0.21 0.00 -2.89 0.00 0.00 54.13 52.06 1cee s LEU 111 Cb -0.17 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.14 1cee s LEU 111 CO -0.21 -0.99 0.67 -0.22 -1.89 0.00 0.00 176.35 173.71 1cee s LEU 112 N 3.95 4.22 0.10 -0.68 2.96 -0.69 -2.53 118.68 126.01 1cee s LEU 112 Ca 0.48 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 1cee s LEU 112 Cb -0.12 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1cee s LEU 112 CO 0.20 -0.62 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.72 1cee s VAL 113 N 2.80 2.68 -0.25 1.68 1.01 -1.05 0.14 120.40 127.40 1cee s VAL 113 Ca 0.26 -1.46 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1cee s VAL 113 Cb -0.14 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.13 1cee s VAL 113 CO 0.15 0.18 0.05 -0.83 0.00 0.00 0.00 175.10 174.64 1cee s GLY 114 N -1.89 0.99 0.59 4.51 0.00 -1.13 -1.53 107.32 108.86 1cee s GLY 114 Ca 0.16 -1.26 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 1cee s GLY 114 CO 0.08 1.41 0.83 -1.59 0.00 0.00 0.00 173.10 173.83 1cee s THR 115 N 1.66 2.56 -0.12 0.90 2.01 -0.93 -3.08 115.64 118.63 1cee s THR 115 Ca 0.03 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1cee s THR 115 Cb -0.17 -2.99 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 1cee s THR 115 CO -0.15 0.00 0.11 1.67 -0.69 0.00 0.00 174.62 175.56 1cee n GLN 116 N -2.48 -0.48 0.09 4.92 7.27 -1.26 -1.99 117.38 123.45 1cee n GLN 116 Ca 0.08 0.10 0.03 0.00 0.07 0.00 0.00 57.00 57.28 1cee n GLN 116 Cb 0.60 -2.40 -0.02 0.00 2.41 0.00 0.00 30.24 30.83 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1cee h ILE 117 N -0.16 0.57 -0.91 1.69 2.04 -1.84 -3.33 117.51 115.56 1cee h ILE 117 Ca -0.07 -1.93 0.24 0.00 1.00 0.00 0.00 64.86 64.11 1cee h ILE 117 Cb 1.04 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 1cee h ILE 117 CO 0.05 0.32 0.63 -2.24 0.00 0.00 0.00 178.15 176.92 1cee h ASP 118 N 0.00 0.17 0.34 1.72 2.03 -1.97 0.26 116.42 118.97 1cee h ASP 118 Ca -0.08 0.02 -0.33 0.00 -0.73 0.00 0.00 57.03 55.92 1cee h ASP 118 Cb 1.42 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.89 1cee h ASP 118 CO 0.05 0.06 -1.74 -0.07 -1.03 0.00 0.00 179.24 176.51 1cee h LEU 119 N 0.16 0.33 -2.06 0.15 -0.00 -1.93 -3.31 115.31 108.65 1cee h LEU 119 Ca 0.46 -0.58 0.09 0.00 -0.00 0.00 0.00 57.88 57.84 1cee h LEU 119 Cb 1.53 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.07 1cee h LEU 119 CO -0.09 1.51 0.24 -0.09 -0.00 0.00 0.00 178.44 180.01 1cee h ARG 120 N 0.06 0.00 -0.55 1.13 2.43 -1.09 0.42 114.38 116.79 1cee h ARG 120 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1cee h ARG 120 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1cee h ARG 120 CO 0.12 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.18 1cee n ASP 121 N -4.26 5.38 -3.93 -3.80 5.68 -0.74 -4.72 116.55 110.15 1cee n ASP 121 Ca 0.04 -2.87 -0.29 0.00 -0.50 0.00 0.00 54.79 51.17 1cee n ASP 121 Cb 0.41 -0.65 -0.12 0.00 -1.14 0.00 0.00 41.12 39.61 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 -0.95 4.73 0.27 -1.12 -1.08 0.15 -4.96 116.67 113.71 1cee s ASP 122 Ca 0.53 -3.57 -0.02 0.00 -0.52 0.00 0.00 52.55 48.96 1cee s ASP 122 Cb 0.39 -1.66 0.59 0.00 -1.46 0.00 0.00 42.92 40.79 1cee s ASP 122 CO 0.16 -0.14 1.62 -0.65 0.52 0.00 0.00 175.17 176.68 1cee h PRO 123 N 5.79 0.10 -1.09 4.34 0.11 -1.85 0.55 132.00 139.96 1cee h PRO 123 Ca 0.07 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.48 1cee h PRO 123 Cb 0.80 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 1cee h PRO 123 CO 0.72 0.07 0.75 0.66 -0.21 0.00 0.00 178.00 179.98 1cee h SER 124 N 0.10 0.19 0.06 -2.05 4.64 -1.92 0.98 113.55 115.55 1cee h SER 124 Ca 0.50 0.04 -0.36 0.00 -0.47 0.00 0.00 61.79 61.50 1cee h SER 124 Cb 0.96 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 1cee h SER 124 CO -0.74 0.03 -2.04 0.35 -0.87 0.00 0.00 176.83 173.57 1cee n THR 125 N -4.38 1.64 -0.18 2.95 -2.24 0.16 -2.98 114.28 109.25 1cee n THR 125 Ca 0.25 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.49 1cee n THR 125 Cb 1.06 -1.73 0.06 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.25 0.97 0.00 2.28 2.04 0.59 -0.46 117.51 122.68 1cee h ILE 126 Ca -0.48 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1cee h ILE 126 Cb 1.83 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1cee h ILE 126 CO -0.06 0.10 -0.42 -0.33 0.00 0.00 0.00 178.15 177.44 1cee h GLU 127 N 0.54 0.00 -0.10 2.37 5.08 0.77 0.30 114.58 123.54 1cee h GLU 127 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1cee h GLU 127 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1cee h GLU 127 CO -0.16 0.42 0.03 -0.22 -1.00 0.00 0.00 179.01 178.09 1cee h LYS 128 N 0.00 0.15 0.00 2.33 3.64 -1.02 -3.27 116.57 118.40 1cee h LYS 128 Ca -0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1cee h LYS 128 Cb 0.99 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1cee h LYS 128 CO 0.05 0.29 -1.66 1.47 -2.27 0.00 0.00 179.45 177.34 1cee n LEU 129 N -4.90 0.43 -0.54 5.20 -0.00 -0.56 -4.13 117.00 112.50 1cee n LEU 129 Ca -0.06 0.18 0.44 0.00 -0.00 0.00 0.00 56.01 56.57 1cee n LEU 129 Cb 0.13 0.08 0.76 0.00 -0.00 0.00 0.00 43.42 44.39 1cee n LEU 129 CO 0.34 0.07 1.39 0.00 -0.00 0.00 0.00 177.39 179.19 1cee h ALA 130 N 1.70 3.39 0.00 1.47 0.00 -0.05 0.43 119.26 126.20 1cee h ALA 130 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cee h ALA 130 Cb 1.34 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1cee h ALA 130 CO 0.02 -1.90 -0.11 1.63 0.00 0.00 0.00 179.25 178.88 1cee n LYS 131 N -4.17 1.09 -0.04 0.00 5.02 -1.26 -4.69 118.16 114.12 1cee n LYS 131 Ca 0.37 -2.38 -0.04 0.00 -2.02 0.00 0.00 58.31 54.25 1cee n LYS 131 Cb 1.65 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 35.26 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cee n ASN 132 N -1.19 3.21 0.00 4.39 3.02 0.15 -5.01 115.26 119.83 1cee n ASN 132 Ca 0.14 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1cee n ASN 132 Cb 0.66 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 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 -2.30 0.00 -3.99 3.52 2.85 -0.97 -5.09 118.16 112.18 1cee n LYS 133 Ca -0.12 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.83 1cee n LYS 133 Cb 0.73 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.06 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 3.13 -0.02 -1.58 -0.21 -1.06 -4.98 119.66 114.94 1cee s GLN 134 Ca 0.00 -0.57 -0.07 0.00 0.02 0.00 0.00 55.36 54.74 1cee s GLN 134 Cb 0.00 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 31.15 1cee s GLN 134 CO 0.00 0.59 0.15 0.15 -2.12 0.00 0.00 175.29 174.06 1cee s LYS 135 N -2.42 0.39 0.08 2.91 3.01 -1.26 -2.45 119.74 120.00 1cee s LYS 135 Ca 0.32 -0.17 -0.27 0.00 -1.01 0.00 0.00 55.97 54.83 1cee s LYS 135 Cb -0.13 0.17 -0.06 0.00 -1.01 0.00 0.00 37.83 36.80 1cee s LYS 135 CO 0.24 -0.08 0.86 -1.25 0.51 0.00 0.00 175.35 175.63 1cee s PRO 136 N -0.86 4.59 -0.03 -1.68 0.04 -1.26 -3.79 135.00 132.02 1cee s PRO 136 Ca -0.09 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1cee s PRO 136 Cb -0.05 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1cee s PRO 136 CO 0.01 0.27 1.02 0.42 0.04 0.00 0.00 177.00 178.75 1cee s ILE 137 N -0.09 4.75 0.41 0.56 -1.09 0.25 -4.97 121.20 121.01 1cee s ILE 137 Ca 0.42 1.98 -0.22 0.00 -2.23 0.00 0.00 60.65 60.60 1cee s ILE 137 Cb -0.22 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.29 1cee s ILE 137 CO 0.26 0.11 0.97 0.42 -1.23 0.00 0.00 174.94 175.47 1cee s THR 138 N 1.35 4.21 0.34 2.92 -4.23 -1.26 -4.90 115.64 114.07 1cee s THR 138 Ca 0.52 1.50 0.07 0.00 -1.18 0.00 0.00 61.69 62.60 1cee s THR 138 Cb -0.21 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.26 1cee s THR 138 CO 0.25 -0.18 1.86 -0.65 -0.54 0.00 0.00 174.62 175.36 1cee h PRO 139 N 2.20 0.74 0.00 3.99 0.11 -1.99 0.23 132.00 137.27 1cee h PRO 139 Ca -0.49 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1cee h PRO 139 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1cee h PRO 139 CO 0.62 0.49 -0.28 0.93 -0.21 0.00 0.00 178.00 179.54 1cee h GLU 140 N 0.76 0.00 -0.03 1.05 5.08 -1.98 0.13 114.58 119.59 1cee h GLU 140 Ca 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.76 1cee h GLU 140 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1cee h GLU 140 CO -0.22 0.28 -0.18 1.15 -1.00 0.00 0.00 179.01 179.04 1cee h THR 141 N 0.00 1.49 -0.11 1.13 2.02 -0.95 -2.14 112.91 114.36 1cee h THR 141 Ca -0.00 -1.71 -0.20 0.00 0.77 0.00 0.00 66.41 65.27 1cee h THR 141 Cb 0.64 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1cee h THR 141 CO 0.04 0.47 -0.75 0.00 0.37 0.00 0.00 175.52 175.64 1cee h ALA 142 N 0.36 0.47 -0.71 6.16 0.00 -1.20 -3.15 119.26 121.18 1cee h ALA 142 Ca -0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1cee h ALA 142 Cb 0.86 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1cee h ALA 142 CO 0.04 0.73 0.17 1.49 0.00 0.00 0.00 179.25 181.68 1cee h GLU 143 N 0.39 1.13 -0.24 0.00 4.81 -0.83 -1.94 114.58 117.90 1cee h GLU 143 Ca -0.04 -0.27 0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1cee h GLU 143 Cb 1.35 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1cee h GLU 143 CO 0.14 1.00 -0.15 -0.22 -0.73 0.00 0.00 179.01 179.05 1cee h LYS 144 N 1.07 -0.13 -0.32 1.92 3.64 -1.36 -0.80 116.57 120.59 1cee h LYS 144 Ca 0.22 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1cee h LYS 144 Cb 0.38 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1cee h LYS 144 CO 0.00 -0.09 0.13 -0.07 -2.27 0.00 0.00 179.45 177.15 1cee h LEU 145 N -0.14 0.16 -1.90 5.20 3.38 -1.49 0.30 115.31 120.83 1cee h LEU 145 Ca 0.13 0.03 0.36 0.00 0.09 0.00 0.00 57.88 58.49 1cee h LEU 145 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1cee h LEU 145 CO -0.32 0.13 0.96 0.00 0.09 0.00 0.00 178.44 179.29 1cee h ALA 146 N 1.19 3.14 0.08 1.53 0.00 -0.38 0.74 119.26 125.55 1cee h ALA 146 Ca 0.14 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.65 1cee h ALA 146 Cb 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1cee h ALA 146 CO -0.13 -1.59 -2.06 0.54 0.00 0.00 0.00 179.25 176.01 1cee n ARG 147 N -3.98 0.72 0.06 0.00 1.74 -0.07 0.10 116.66 115.24 1cee n ARG 147 Ca 0.27 0.24 -0.02 0.00 -0.77 0.00 0.00 57.85 57.57 1cee n ARG 147 Cb 1.35 -1.68 0.24 0.00 -1.02 0.00 0.00 32.46 31.35 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 0.05 0.35 -0.57 0.55 1.82 0.34 -2.76 116.42 116.19 1cee h ASP 148 Ca -0.44 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1cee h ASP 148 Cb 2.02 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.93 1cee h ASP 148 CO 0.05 0.64 0.00 0.18 -1.61 0.00 0.00 179.24 178.50 1cee n LEU 149 N -4.11 5.28 -1.84 2.28 4.77 0.21 -4.90 117.00 118.69 1cee n LEU 149 Ca -0.01 -2.68 -0.19 0.00 -0.03 0.00 0.00 56.01 53.11 1cee n LEU 149 Cb 0.41 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1cee n LEU 149 CO 0.41 0.65 -0.20 0.29 -1.33 0.00 0.00 177.39 177.21 1cee n LYS 150 N 0.72 -1.55 -1.72 3.23 4.01 -1.04 -4.90 118.16 116.90 1cee n LYS 150 Ca 0.26 1.03 -0.40 0.00 -0.51 0.00 0.00 58.31 58.69 1cee n LYS 150 Cb 1.08 -5.48 0.02 0.00 -0.51 0.00 0.00 35.03 30.13 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cee n ALA 151 N 0.02 1.46 0.12 7.82 0.00 0.29 -4.65 120.51 125.57 1cee n ALA 151 Ca -0.20 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1cee n ALA 151 Cb 0.63 -2.30 0.46 0.00 0.00 0.00 0.00 19.45 18.24 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 2.03 1.12 0.00 0.00 -1.51 -1.62 -3.43 116.25 112.84 1cee h VAL 152 Ca -0.49 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 1cee h VAL 152 Cb 1.29 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1cee h VAL 152 CO 0.60 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 177.38 1cee n LYS 153 N -4.39 0.00 -3.69 5.19 5.02 -1.26 -5.05 118.16 113.98 1cee n LYS 153 Ca -0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1cee n LYS 153 Cb 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cee s TYR 154 N -2.00 3.38 0.47 2.13 5.04 -1.26 -1.70 117.35 123.41 1cee s TYR 154 Ca 0.00 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1cee s TYR 154 Cb 0.00 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 1cee s TYR 154 CO 0.00 0.21 0.07 1.33 -1.34 0.00 0.00 175.55 175.83 1cee n VAL 155 N 3.77 0.00 -3.69 3.14 0.24 0.37 -4.97 118.33 117.19 1cee n VAL 155 Ca -0.15 -2.44 -0.14 0.00 -2.04 0.00 0.00 64.34 59.56 1cee n VAL 155 Cb 0.52 0.67 -0.08 0.00 -1.47 0.00 0.00 33.84 33.48 1cee n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1cee s GLU 156 N -3.74 0.72 -0.27 7.34 2.02 -1.26 -2.82 118.70 120.69 1cee s GLU 156 Ca 0.10 0.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.04 1cee s GLU 156 Cb 0.00 0.33 0.12 0.00 0.10 0.00 0.00 34.13 34.68 1cee s GLU 156 CO 0.07 -0.18 0.99 0.00 0.02 0.00 0.00 175.26 176.16 1cee s SER 158 N 0.13 0.50 0.25 0.00 0.15 -1.21 -4.14 113.70 109.37 1cee s SER 158 Ca 0.02 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.76 1cee s SER 158 Cb -0.05 -0.04 0.24 0.00 -1.71 0.00 0.00 66.02 64.47 1cee s SER 158 CO -0.04 0.01 1.33 0.00 1.20 0.00 0.00 173.24 175.73 1cee h ALA 159 N 5.81 0.70 0.10 5.45 0.00 -1.88 0.16 119.26 129.61 1cee h ALA 159 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1cee h ALA 159 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1cee h ALA 159 CO 0.49 0.00 -0.99 1.25 0.00 0.00 0.00 179.25 180.00 1cee h LEU 160 N 0.00 0.35 0.00 0.00 7.12 -1.95 -3.39 115.31 117.44 1cee h LEU 160 Ca 0.00 -0.89 -0.29 0.00 0.13 0.00 0.00 57.88 56.84 1cee h LEU 160 Cb 0.92 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.89 1cee h LEU 160 CO 0.00 1.44 -1.93 0.41 -0.13 0.00 0.00 178.44 178.23 1cee n THR 161 N -4.13 1.37 -1.05 1.05 -1.04 -1.26 -4.98 114.28 104.25 1cee n THR 161 Ca -0.19 -0.79 -0.02 0.00 -2.04 0.00 0.00 64.05 61.01 1cee n THR 161 Cb 0.80 -0.72 -0.01 0.00 -1.82 0.00 0.00 70.33 68.59 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 -2.87 -0.45 -1.98 -2.82 6.02 0.54 -4.96 117.38 110.87 1cee n GLN 162 Ca -0.21 0.32 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1cee n GLN 162 Cb 1.03 -3.81 -0.03 0.00 1.02 0.00 0.00 30.24 28.46 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 -1.16 3.58 -1.12 -1.09 2.47 -1.25 -2.54 119.74 118.63 1cee s LYS 163 Ca 0.00 1.69 0.00 0.00 -1.56 0.00 0.00 55.97 56.10 1cee s LYS 163 Cb 0.00 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 1cee s LYS 163 CO 0.00 -1.57 0.00 0.41 0.16 0.00 0.00 175.35 174.35 1cee n GLY 164 N 5.06 -0.40 0.27 5.54 0.00 -1.26 -3.33 105.19 111.07 1cee n GLY 164 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 0.25 0.00 0.99 7.12 -1.68 -2.71 115.31 119.28 1cee h LEU 165 Ca -0.30 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 57.58 1cee h LEU 165 Cb 1.20 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1cee h LEU 165 CO 0.36 0.28 -0.71 0.50 -0.13 0.00 0.00 178.44 178.74 1cee h LYS 166 N 0.28 0.00 -0.84 1.25 3.64 -1.87 -3.40 116.57 115.63 1cee h LYS 166 Ca 0.07 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.63 1cee h LYS 166 Cb 0.15 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.81 1cee h LYS 166 CO -0.00 0.52 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.59 1cee h ASN 167 N -1.00 -0.65 -0.99 4.20 -0.73 -1.91 -0.52 115.58 113.97 1cee h ASN 167 Ca -0.14 0.24 0.29 0.00 1.87 0.00 0.00 56.30 58.56 1cee h ASN 167 Cb 0.83 0.48 -0.18 0.00 0.27 0.00 0.00 38.32 39.72 1cee h ASN 167 CO -0.09 -0.26 0.09 0.55 -0.37 0.00 0.00 177.43 177.35 1cee n VAL 168 N -5.49 -0.42 0.11 2.57 3.14 -1.03 0.14 118.33 117.35 1cee n VAL 168 Ca 0.14 2.16 -0.03 0.00 -2.96 0.00 0.00 64.34 63.65 1cee n VAL 168 Cb 0.47 -3.20 0.06 0.00 -1.06 0.00 0.00 33.84 30.11 1cee n VAL 168 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1cee h PHE 169 N 0.00 0.00 -0.30 1.45 0.04 -1.32 -3.04 116.94 113.76 1cee h PHE 169 Ca 0.64 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.40 1cee h PHE 169 Cb 1.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.51 1cee h PHE 169 CO -0.43 0.74 0.15 -0.44 -0.60 0.00 0.00 178.31 177.73 1cee h ASP 170 N 0.00 0.36 0.57 2.17 5.19 0.14 -1.23 116.42 123.63 1cee h ASP 170 Ca -0.01 -0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.20 1cee h ASP 170 Cb 1.37 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 1cee h ASP 170 CO 0.10 0.31 -0.80 -0.08 -3.12 0.00 0.00 179.24 175.65 1cee h GLU 171 N 0.42 0.17 0.30 3.56 4.57 -1.23 -3.04 114.58 119.32 1cee h GLU 171 Ca 0.11 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1cee h GLU 171 Cb 0.04 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1cee h GLU 171 CO -0.02 0.87 -0.14 0.00 -1.18 0.00 0.00 179.01 178.55 1cee h ALA 172 N 1.07 -0.98 -0.55 2.92 0.00 -1.14 0.15 119.26 120.74 1cee h ALA 172 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1cee h ALA 172 Cb 1.39 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1cee h ALA 172 CO 0.12 -0.95 -0.43 0.82 0.00 0.00 0.00 179.25 178.81 1cee h ILE 173 N -0.44 0.10 -0.64 0.00 2.04 -1.57 1.31 117.51 118.31 1cee h ILE 173 Ca -0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1cee h ILE 173 Cb 0.30 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1cee h ILE 173 CO 0.07 0.00 0.44 0.25 0.00 0.00 0.00 178.15 178.91 1cee h LEU 174 N -0.24 0.22 0.02 1.44 5.85 -1.57 0.14 115.31 121.17 1cee h LEU 174 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1cee h LEU 174 Cb 0.57 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1cee h LEU 174 CO -0.67 0.12 -0.01 0.00 -0.34 0.00 0.00 178.44 177.54 1cee h ALA 175 N 1.69 -0.03 -0.67 1.25 0.00 0.34 -3.33 119.26 118.51 1cee h ALA 175 Ca 0.31 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1cee h ALA 175 Cb 0.89 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1cee h ALA 175 CO -0.06 -0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.48 1cee h ALA 176 N -0.05 0.89 -3.21 0.00 0.00 0.19 -3.44 119.26 113.63 1cee h ALA 176 Ca -0.00 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1cee h ALA 176 Cb 0.74 -0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.48 1cee h ALA 176 CO 0.01 0.09 0.07 1.28 0.00 0.00 0.00 179.25 180.69 1cee n LEU 177 N -4.76 0.00 -3.60 0.00 4.77 0.45 -4.77 117.00 109.08 1cee n LEU 177 Ca 0.08 -0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 55.44 1cee n LEU 177 Cb 0.15 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1cee n LEU 177 CO 0.30 -1.54 0.90 -1.83 -1.33 0.00 0.00 177.39 173.89 1cee s GLU 178 N -4.25 0.59 0.00 3.23 -1.05 -1.26 -4.95 118.70 111.01 1cee s GLU 178 Ca 0.35 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1cee s GLU 178 Cb -0.03 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1cee s GLU 178 CO 0.27 -0.27 0.03 -2.30 0.95 0.00 0.00 175.26 173.94