#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 3.80 -0.02 3.17 1.11 -1.26 -5.00 119.66 121.46 1cee s GLN 2 Ca 0.00 0.59 0.00 0.00 0.01 0.00 0.00 55.36 55.96 1cee s GLN 2 Cb 0.00 -2.31 0.02 0.00 -1.01 0.00 0.00 33.01 29.71 1cee s GLN 2 CO 0.00 -0.13 0.00 0.99 0.01 0.00 0.00 175.29 176.16 1cee s THR 3 N -2.50 0.09 -0.21 -0.19 2.01 -1.26 -2.55 115.64 111.03 1cee s THR 3 Ca 0.53 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 1cee s THR 3 Cb -0.10 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 1cee s THR 3 CO 0.33 0.09 0.19 -0.63 -0.69 0.00 0.00 174.62 173.92 1cee s ILE 4 N 0.70 5.35 -0.92 1.82 1.09 -0.90 -4.90 121.20 123.44 1cee s ILE 4 Ca -0.06 0.29 -0.06 0.00 -1.10 0.00 0.00 60.65 59.71 1cee s ILE 4 Cb -0.09 -3.53 0.23 0.00 -1.06 0.00 0.00 42.46 38.01 1cee s ILE 4 CO -0.02 0.37 0.84 -1.59 -0.10 0.00 0.00 174.94 174.45 1cee s LYS 5 N 0.78 3.53 0.06 2.79 0.00 -1.26 0.15 119.74 125.79 1cee s LYS 5 Ca 0.10 -3.06 -0.05 0.00 0.00 0.00 0.00 55.97 52.96 1cee s LYS 5 Cb -0.13 -4.19 -0.05 0.00 0.00 0.00 0.00 37.83 33.47 1cee s LYS 5 CO 0.03 -1.25 0.31 0.00 0.00 0.00 0.00 175.35 174.43 1cee s VAL 7 N -1.45 1.36 -0.48 0.00 0.11 -1.00 -2.58 120.40 116.36 1cee s VAL 7 Ca 0.33 -0.68 -0.24 0.00 -2.93 0.00 0.00 61.98 58.46 1cee s VAL 7 Cb -0.13 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1cee s VAL 7 CO 0.21 0.39 0.88 -0.69 -3.33 0.00 0.00 175.10 172.56 1cee s VAL 8 N 0.07 4.52 0.11 2.04 1.01 0.13 0.13 120.40 128.41 1cee s VAL 8 Ca -0.04 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1cee s VAL 8 Cb -0.11 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1cee s VAL 8 CO 0.02 -0.85 -0.12 0.68 0.00 0.00 0.00 175.10 174.82 1cee s VAL 9 N 3.63 3.20 0.00 2.92 -7.23 0.11 -2.70 120.40 120.33 1cee s VAL 9 Ca 0.33 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1cee s VAL 9 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1cee s VAL 9 CO 0.24 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1cee n GLY 10 N 0.67 3.96 3.15 2.32 0.00 -1.26 -3.12 105.19 110.91 1cee n GLY 10 Ca -0.14 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1cee n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cee s ASP 11 N 0.00 5.47 0.00 1.61 -1.08 -1.26 -4.04 116.67 117.37 1cee s ASP 11 Ca 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 52.55 49.68 1cee s ASP 11 Cb 0.00 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 1cee s ASP 11 CO 0.00 -0.52 0.00 0.61 0.52 0.00 0.00 175.17 175.78 1cee n GLY 12 N 4.23 4.56 3.56 2.66 0.00 -1.23 -5.00 105.19 113.97 1cee n GLY 12 Ca 0.01 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.01 3.21 -0.14 4.61 0.00 -1.26 -4.66 121.76 121.51 1cee s ALA 13 Ca 0.00 -2.78 0.10 0.00 0.00 0.00 0.00 51.96 49.28 1cee s ALA 13 Cb 0.00 -4.57 -0.23 0.00 0.00 0.00 0.00 23.12 18.31 1cee s ALA 13 CO 0.00 -3.34 0.29 1.33 0.00 0.00 0.00 175.76 174.04 1cee n VAL 14 N 6.39 1.55 0.00 0.00 0.24 -1.26 -5.01 118.33 120.24 1cee n VAL 14 Ca 0.44 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1cee n VAL 14 Cb 0.47 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 1.80 0.86 0.07 7.63 0.00 -1.26 -4.05 105.19 110.24 1cee n GLY 15 Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.01 0.09 1.61 1.57 -1.94 -3.14 116.57 114.77 1cee h LYS 16 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1cee h LYS 16 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1cee h LYS 16 CO 0.00 0.94 -0.04 1.15 -0.57 0.00 0.00 179.45 180.92 1cee h THR 17 N -0.91 1.02 -0.80 -0.16 2.02 -1.99 -2.04 112.91 110.05 1cee h THR 17 Ca -0.00 -0.40 0.13 0.00 0.77 0.00 0.00 66.41 66.91 1cee h THR 17 Cb 0.95 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.54 1cee h THR 17 CO 0.00 0.10 0.39 0.00 0.37 0.00 0.00 175.52 176.38 1cee h LEU 19 N 0.58 0.68 -1.08 0.00 6.46 -1.48 -2.61 115.31 117.85 1cee h LEU 19 Ca 0.42 -0.30 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1cee h LEU 19 Cb 0.58 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1cee h LEU 19 CO -0.35 0.99 0.62 -0.07 -0.62 0.00 0.00 178.44 179.01 1cee h LEU 20 N 0.53 1.01 -0.07 2.25 3.38 -0.44 -0.93 115.31 121.04 1cee h LEU 20 Ca 0.05 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1cee h LEU 20 Cb 0.90 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1cee h LEU 20 CO 0.08 0.68 -0.64 0.40 0.09 0.00 0.00 178.44 179.05 1cee h ILE 21 N 1.16 1.36 0.00 1.22 1.08 -1.31 -3.06 117.51 117.96 1cee h ILE 21 Ca 0.39 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1cee h ILE 21 Cb 0.07 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1cee h ILE 21 CO -0.13 0.59 0.00 -1.20 -0.69 0.00 0.00 178.15 176.72 1cee n SER 22 N -4.14 0.00 0.00 1.72 7.64 0.19 0.02 113.62 119.04 1cee n SER 22 Ca -0.09 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1cee n SER 22 Cb 0.68 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cee n TYR 23 N -1.28 0.00 0.05 1.43 9.36 -0.38 -3.24 117.16 123.10 1cee n TYR 23 Ca 0.09 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.24 1cee n TYR 23 Cb 0.15 -0.20 -0.12 0.00 -0.63 0.00 0.00 39.34 38.54 1cee n TYR 23 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cee h THR 24 N 0.00 1.63 0.00 2.97 1.03 -1.67 -3.31 112.91 113.56 1cee h THR 24 Ca 0.00 -3.36 0.00 0.00 -0.01 0.00 0.00 66.41 63.04 1cee h THR 24 Cb 0.00 2.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 1cee h THR 24 CO 0.00 0.93 -1.17 0.35 -0.01 0.00 0.00 175.52 175.62 1cee n THR 25 N -3.32 0.00 -1.84 0.00 -2.24 -0.38 -4.96 114.28 101.53 1cee n THR 25 Ca -0.02 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1cee n THR 25 Cb 0.95 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1cee n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1cee n ASN 26 N -1.63 -4.13 -4.61 3.42 4.13 0.10 -4.86 115.26 107.68 1cee n ASN 26 Ca 0.03 0.27 -0.29 0.00 1.68 0.00 0.00 54.58 56.26 1cee n ASN 26 Cb 0.37 -3.66 -0.09 0.00 -1.54 0.00 0.00 39.78 34.86 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1cee s LYS 27 N -3.99 2.25 -0.34 3.52 2.47 -0.72 -4.80 119.74 118.12 1cee s LYS 27 Ca 0.00 -1.01 -0.02 0.00 -1.56 0.00 0.00 55.97 53.38 1cee s LYS 27 Cb 0.00 -2.36 0.07 0.00 -1.46 0.00 0.00 37.83 34.08 1cee s LYS 27 CO 0.00 0.50 0.08 0.12 0.16 0.00 0.00 175.35 176.22 1cee s PHE 28 N -1.33 3.39 0.50 4.03 5.36 -1.26 -0.64 117.98 128.03 1cee s PHE 28 Ca 0.23 -2.04 -0.18 0.00 -0.96 0.00 0.00 56.93 53.98 1cee s PHE 28 Cb -0.11 -2.53 -0.08 0.00 -0.34 0.00 0.00 43.02 39.96 1cee s PHE 28 CO 0.15 -0.86 1.00 -1.25 -1.46 0.00 0.00 175.22 172.81 1cee s PRO 29 N 1.22 3.89 0.00 10.12 0.04 -1.26 -4.99 135.00 144.02 1cee s PRO 29 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1cee s PRO 29 Cb -0.21 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1cee s PRO 29 CO -0.02 -0.33 0.00 0.43 0.04 0.00 0.00 177.00 177.12 1cee n SER 30 N -1.27 0.08 -4.25 6.66 7.64 -1.26 -4.98 113.62 116.24 1cee n SER 30 Ca 0.08 -0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.20 1cee n SER 30 Cb 0.53 0.95 0.26 0.00 -1.01 0.00 0.00 64.21 64.95 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 -0.96 -2.93 -1.77 1.43 4.07 -1.26 -5.06 120.64 114.16 1cee n GLU 31 Ca 0.00 -0.84 0.00 0.00 -0.06 0.00 0.00 57.16 56.26 1cee n GLU 31 Cb 0.00 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 1cee n GLU 31 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1cee n TYR 32 N -5.13 0.00 0.00 4.31 4.11 -1.26 -5.12 117.16 114.07 1cee n TYR 32 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1cee n TYR 32 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 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 -0.77 -1.18 -3.48 0.31 -1.26 -4.98 118.33 106.97 1cee n VAL 33 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1cee n VAL 33 Cb 0.00 -0.63 0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 0.18 0.01 0.12 5.55 -0.02 -1.26 -4.88 135.00 134.70 1cee n PRO 34 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 1cee n PRO 34 Cb 0.00 -1.03 0.05 0.00 -0.02 0.00 0.00 33.50 32.50 1cee n PRO 34 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1cee h THR 35 N -0.30 1.26 0.00 3.45 2.02 -1.93 -3.47 112.91 113.93 1cee h THR 35 Ca -0.42 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.23 1cee h THR 35 Cb 1.40 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1cee h THR 35 CO 0.36 0.66 0.00 0.52 0.37 0.00 0.00 175.52 177.44 1cee n VAL 36 N -3.40 0.00 -3.15 3.16 0.31 -1.26 -4.29 118.33 109.69 1cee n VAL 36 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.39 1cee n VAL 36 Cb 0.75 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.67 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 -0.70 0.26 3.52 5.36 -1.25 -2.28 117.98 122.89 1cee s PHE 37 Ca 0.00 0.66 0.10 0.00 -0.96 0.00 0.00 56.93 56.73 1cee s PHE 37 Cb 0.00 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.85 1cee s PHE 37 CO 0.00 -0.39 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.81 1cee s ASP 38 N 2.94 4.35 -0.06 6.13 1.01 -0.61 -4.98 116.67 125.45 1cee s ASP 38 Ca 0.07 -0.71 -0.02 0.00 0.71 0.00 0.00 52.55 52.59 1cee s ASP 38 Cb -0.09 -0.74 0.03 0.00 1.01 0.00 0.00 42.92 43.13 1cee s ASP 38 CO -0.15 0.01 0.06 0.21 0.21 0.00 0.00 175.17 175.52 1cee s ASN 39 N -3.59 1.29 0.17 0.27 3.04 -1.26 -1.71 114.94 113.14 1cee s ASN 39 Ca 0.31 -0.00 0.06 0.00 0.04 0.00 0.00 52.86 53.26 1cee s ASN 39 Cb -0.06 -0.16 -0.05 0.00 -1.54 0.00 0.00 41.25 39.44 1cee s ASN 39 CO 0.19 -0.26 -0.12 -0.31 -3.04 0.00 0.00 177.10 173.56 1cee s TYR 40 N 2.16 1.45 -0.04 0.43 1.51 -0.71 -5.03 117.35 117.11 1cee s TYR 40 Ca 0.05 -0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1cee s TYR 40 Cb -0.12 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1cee s TYR 40 CO -0.04 0.19 0.05 0.00 -1.11 0.00 0.00 175.55 174.64 1cee s ALA 41 N -3.19 0.28 0.05 3.71 0.00 -1.26 0.25 121.76 121.59 1cee s ALA 41 Ca 0.19 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1cee s ALA 41 Cb 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1cee s ALA 41 CO 0.03 -0.48 0.14 0.08 0.00 0.00 0.00 175.76 175.53 1cee s VAL 42 N 2.13 4.96 -0.35 0.00 1.01 -0.55 -4.91 120.40 122.70 1cee s VAL 42 Ca 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1cee s VAL 42 Cb -0.12 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1cee s VAL 42 CO -0.03 0.18 0.10 -0.89 0.00 0.00 0.00 175.10 174.46 1cee s THR 43 N -1.40 3.41 0.23 3.92 2.01 -1.26 0.14 115.64 122.68 1cee s THR 43 Ca 0.30 -1.47 0.11 0.00 0.31 0.00 0.00 61.69 60.95 1cee s THR 43 Cb -0.12 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1cee s THR 43 CO 0.23 -0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.95 1cee s VAL 44 N 1.29 2.37 -0.95 3.82 1.01 -1.00 -4.93 120.40 122.01 1cee s VAL 44 Ca -0.00 -2.18 -0.17 0.00 0.00 0.00 0.00 61.98 59.63 1cee s VAL 44 Cb -0.21 -2.18 0.15 0.00 0.00 0.00 0.00 36.38 34.15 1cee s VAL 44 CO -0.00 -0.25 1.10 -0.04 0.00 0.00 0.00 175.10 175.91 1cee s MET 45 N -3.03 3.67 -0.18 2.72 -1.94 -1.26 0.13 119.30 119.41 1cee s MET 45 Ca 0.24 -2.00 -0.07 0.00 -1.71 0.00 0.00 55.69 52.15 1cee s MET 45 Cb -0.07 -4.85 -0.04 0.00 2.01 0.00 0.00 34.83 31.89 1cee s MET 45 CO 0.12 -1.68 0.07 0.42 -0.01 0.00 0.00 175.02 173.93 1cee s ILE 46 N 2.06 4.86 -1.42 2.53 1.01 0.09 -4.38 121.20 125.95 1cee s ILE 46 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1cee s ILE 46 Cb -0.06 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1cee s ILE 46 CO -0.08 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1cee n GLY 47 N 3.40 0.02 2.17 6.18 0.00 -1.26 -2.15 105.19 113.55 1cee n GLY 47 Ca -0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1cee n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLY 48 N -1.02 0.41 3.19 -0.02 0.00 -1.26 -5.03 105.19 101.47 1cee n GLY 48 Ca -0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1cee n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cee s GLU 49 N -3.67 0.64 -0.56 1.61 2.02 -0.91 -5.11 118.70 112.71 1cee s GLU 49 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 54.97 54.35 1cee s GLU 49 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 1cee s GLU 49 CO 0.00 -0.18 1.84 -2.14 0.02 0.00 0.00 175.26 174.80 1cee s PRO 50 N -1.73 2.76 0.65 0.39 0.02 -1.26 -0.73 135.00 135.10 1cee s PRO 50 Ca -0.11 0.75 0.05 0.00 0.02 0.00 0.00 61.00 61.71 1cee s PRO 50 Cb -0.05 -4.35 0.11 0.00 0.02 0.00 0.00 34.50 30.24 1cee s PRO 50 CO 0.01 -2.56 0.90 0.71 -0.33 0.00 0.00 177.00 175.72 1cee s TYR 51 N 8.65 1.39 -0.24 6.54 1.51 0.34 -4.62 117.35 130.92 1cee s TYR 51 Ca 0.69 -0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1cee s TYR 51 Cb -0.14 -2.56 0.09 0.00 -0.11 0.00 0.00 41.96 39.23 1cee s TYR 51 CO 0.23 -1.46 0.13 0.99 -1.11 0.00 0.00 175.55 174.34 1cee s THR 52 N -2.90 -0.11 -0.65 -0.71 2.01 -1.06 -2.36 115.64 109.86 1cee s THR 52 Ca 0.64 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 1cee s THR 52 Cb -0.05 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.67 1cee s THR 52 CO 0.42 -0.50 1.48 -0.22 -0.69 0.00 0.00 174.62 175.11 1cee s LEU 53 N 2.15 3.27 -0.58 4.42 2.96 0.36 -2.12 118.68 129.14 1cee s LEU 53 Ca 0.06 0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.71 1cee s LEU 53 Cb -0.16 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 1cee s LEU 53 CO -0.24 -1.95 1.67 -0.83 -1.32 0.00 0.00 176.35 173.68 1cee s GLY 54 N 5.16 0.53 0.02 7.98 0.00 0.39 -1.48 107.32 119.93 1cee s GLY 54 Ca 0.50 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 1cee s GLY 54 CO 0.20 3.15 0.49 1.08 0.00 0.00 0.00 173.10 178.02 1cee s LEU 55 N 7.62 4.47 -0.04 0.66 1.43 0.14 -2.19 118.68 130.77 1cee s LEU 55 Ca 0.61 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1cee s LEU 55 Cb -0.13 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.38 1cee s LEU 55 CO 0.23 0.25 0.07 -0.36 0.23 0.00 0.00 176.35 176.77 1cee s PHE 56 N -0.83 -0.00 -0.33 0.29 0.40 -1.07 -1.74 117.98 114.70 1cee s PHE 56 Ca 0.27 0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.83 1cee s PHE 56 Cb -0.18 -0.36 0.04 0.00 0.51 0.00 0.00 43.02 43.03 1cee s PHE 56 CO 0.16 -0.18 0.10 0.34 0.70 0.00 0.00 175.22 176.34 1cee s ASP 57 N 1.85 5.29 0.35 1.36 -1.08 -0.70 0.18 116.67 123.92 1cee s ASP 57 Ca 0.00 -1.11 0.01 0.00 -0.52 0.00 0.00 52.55 50.93 1cee s ASP 57 Cb -0.12 -1.86 -0.03 0.00 -1.46 0.00 0.00 42.92 39.44 1cee s ASP 57 CO -0.04 -0.32 0.55 0.42 0.52 0.00 0.00 175.17 176.31 1cee s THR 58 N 1.40 5.03 0.45 1.71 -4.23 -1.10 -1.58 115.64 117.33 1cee s THR 58 Ca -0.01 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1cee s THR 58 Cb -0.19 -3.83 0.12 0.00 1.34 0.00 0.00 72.50 69.93 1cee s THR 58 CO 0.03 -0.53 0.26 0.00 -0.54 0.00 0.00 174.62 173.84 1cee n ALA 59 N -1.79 -1.61 -1.96 3.99 0.00 -0.96 -4.81 120.51 113.36 1cee n ALA 59 Ca -0.04 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 52.95 1cee n ALA 59 Cb 0.56 -0.04 0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.77 1.62 3.56 0.00 0.00 -1.26 -4.52 105.19 102.82 1cee n GLY 60 Ca 0.04 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1cee n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cee s GLN 61 N -0.66 1.95 0.01 1.61 -2.07 -1.26 -3.54 119.66 115.69 1cee s GLN 61 Ca 0.16 -2.19 0.18 0.00 -1.82 0.00 0.00 55.36 51.70 1cee s GLN 61 Cb 0.17 -0.84 -0.18 0.00 -1.09 0.00 0.00 33.01 31.07 1cee s GLN 61 CO -0.04 -0.41 0.66 -1.91 -1.32 0.00 0.00 175.29 172.26 1cee n GLU 62 N -0.95 0.64 0.25 9.60 2.13 -1.26 -4.04 120.64 127.00 1cee n GLU 62 Ca -0.08 0.11 0.17 0.00 0.66 0.00 0.00 57.16 58.02 1cee n GLU 62 Cb 0.66 -1.72 0.85 0.00 0.27 0.00 0.00 31.44 31.50 1cee n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1cee h ASP 63 N 0.00 0.00 -0.39 4.31 5.19 -2.04 -1.37 116.42 122.11 1cee h ASP 63 Ca -0.19 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.11 1cee h ASP 63 Cb 1.57 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.02 1cee h ASP 63 CO 0.03 0.00 0.04 -1.22 -3.12 0.00 0.00 179.24 174.98 1cee n TYR 64 N -2.69 1.31 0.73 4.55 4.02 -1.26 -4.53 117.16 119.30 1cee n TYR 64 Ca -0.01 -1.18 0.11 0.00 -0.01 0.00 0.00 57.90 56.81 1cee n TYR 64 Cb 0.10 -0.45 0.46 0.00 -0.02 0.00 0.00 39.34 39.43 1cee n TYR 64 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1cee n ASP 65 N -0.65 0.06 -0.05 7.72 2.03 -0.52 -1.78 116.55 123.36 1cee n ASP 65 Ca 0.29 0.51 -0.16 0.00 0.52 0.00 0.00 54.79 55.96 1cee n ASP 65 Cb 1.05 -0.52 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 1cee n ASP 65 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1cee h ARG 66 N 0.00 0.74 -0.18 -0.67 2.47 -1.82 -3.32 114.38 111.59 1cee h ARG 66 Ca 0.00 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1cee h ARG 66 Cb 0.39 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1cee h ARG 66 CO 0.00 1.14 0.00 1.47 0.56 0.00 0.00 179.97 183.14 1cee n LEU 67 N -4.09 2.46 -0.00 3.04 -0.00 -1.21 -4.68 117.00 112.52 1cee n LEU 67 Ca -0.06 -1.95 -0.17 0.00 -0.00 0.00 0.00 56.01 53.83 1cee n LEU 67 Cb 0.63 -0.12 -0.13 0.00 -0.00 0.00 0.00 43.42 43.80 1cee n LEU 67 CO 0.49 0.61 0.24 -0.09 -0.00 0.00 0.00 177.39 178.64 1cee h ARG 68 N 1.14 0.23 0.00 1.47 2.43 -1.45 -3.26 114.38 114.94 1cee h ARG 68 Ca 0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1cee h ARG 68 Cb 0.61 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1cee h ARG 68 CO 0.00 1.09 0.00 -1.35 -1.51 0.00 0.00 179.97 178.20 1cee h PRO 69 N -0.48 0.00 -0.99 0.20 0.11 -1.83 -2.94 132.00 126.07 1cee h PRO 69 Ca -0.07 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.32 1cee h PRO 69 Cb 1.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1cee h PRO 69 CO 0.09 0.00 0.86 -0.07 -0.21 0.00 0.00 178.00 178.67 1cee h LEU 70 N 0.00 0.00 -3.30 2.35 4.07 -1.86 1.22 115.31 117.79 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 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1cee h LEU 70 CO 0.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.82 1cee n SER 71 N -3.82 4.82 -0.08 -0.43 3.41 -1.11 -4.48 113.62 111.93 1cee n SER 71 Ca 0.21 -2.70 -0.23 0.00 -0.26 0.00 0.00 58.87 55.90 1cee n SER 71 Cb 1.19 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cee n TYR 72 N 0.59 0.91 -0.32 7.33 4.02 0.42 -4.25 117.16 125.86 1cee n TYR 72 Ca 0.25 0.30 0.35 0.00 -0.01 0.00 0.00 57.90 58.79 1cee n TYR 72 Cb 0.97 -1.10 0.74 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.60 0.00 -2.23 -0.72 0.11 -1.79 -2.41 132.00 124.37 1cee h PRO 73 Ca -0.43 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.07 1cee h PRO 73 Cb 1.61 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.31 1cee h PRO 73 CO -0.14 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 177.13 1cee n GLN 74 N -4.05 2.68 -3.91 1.05 10.64 -1.26 -5.04 117.38 117.49 1cee n GLN 74 Ca 0.26 -4.68 -0.15 0.00 -1.83 0.00 0.00 57.00 50.59 1cee n GLN 74 Cb 1.29 -2.27 -0.15 0.00 -0.86 0.00 0.00 30.24 28.24 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1cee s THR 75 N -2.61 0.11 -0.18 -0.39 2.01 -0.91 -4.82 115.64 108.84 1cee s THR 75 Ca 0.40 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 1cee s THR 75 Cb 0.15 -0.17 -0.07 0.00 0.01 0.00 0.00 72.50 72.43 1cee s THR 75 CO -0.01 0.09 -0.26 0.47 -0.69 0.00 0.00 174.62 174.22 1cee n ASP 76 N 3.69 1.90 -4.66 3.53 9.92 0.46 -5.00 116.55 126.38 1cee n ASP 76 Ca -0.21 0.43 -0.29 0.00 -0.53 0.00 0.00 54.79 54.18 1cee n ASP 76 Cb 0.54 -0.81 -0.10 0.00 -0.64 0.00 0.00 41.12 40.11 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 -2.62 1.72 -0.06 2.53 0.11 -1.22 -3.45 120.40 117.42 1cee s VAL 77 Ca -0.26 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 56.80 1cee s VAL 77 Cb 0.05 -2.73 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1cee s VAL 77 CO 0.39 0.00 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.74 1cee s PHE 78 N -2.77 0.94 -0.55 1.54 0.40 -1.18 -2.37 117.98 113.99 1cee s PHE 78 Ca 0.26 -0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.06 1cee s PHE 78 Cb 0.07 -0.82 0.06 0.00 0.51 0.00 0.00 43.02 42.85 1cee s PHE 78 CO 0.13 -0.26 0.75 -0.51 0.70 0.00 0.00 175.22 176.03 1cee s LEU 79 N 1.11 4.75 -0.78 -0.37 1.02 0.12 -1.49 118.68 123.04 1cee s LEU 79 Ca -0.08 -0.87 -0.14 0.00 0.02 0.00 0.00 54.13 53.06 1cee s LEU 79 Cb -0.14 -2.51 0.20 0.00 0.02 0.00 0.00 46.19 43.76 1cee s LEU 79 CO -0.01 -1.07 0.72 -0.69 0.02 0.00 0.00 176.35 175.32 1cee s VAL 80 N 3.12 5.55 -0.41 -1.59 1.01 -1.06 0.06 120.40 127.09 1cee s VAL 80 Ca 0.19 -2.30 -0.20 0.00 0.00 0.00 0.00 61.98 59.67 1cee s VAL 80 Cb -0.18 -4.45 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1cee s VAL 80 CO 0.13 -1.00 0.60 0.00 0.00 0.00 0.00 175.10 174.82 1cee s PHE 82 N 2.65 2.78 -0.31 0.00 -0.71 -0.14 -4.79 117.98 117.45 1cee s PHE 82 Ca 0.21 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.47 1cee s PHE 82 Cb -0.15 -1.95 -0.00 0.00 -1.21 0.00 0.00 43.02 39.70 1cee s PHE 82 CO 0.17 0.07 0.71 -1.54 -1.34 0.00 0.00 175.22 173.28 1cee s SER 83 N -4.03 6.58 0.34 1.98 1.04 -1.26 -1.31 113.70 117.03 1cee s SER 83 Ca 0.44 0.54 0.12 0.00 0.48 0.00 0.00 55.95 57.52 1cee s SER 83 Cb -0.04 -2.37 0.60 0.00 0.10 0.00 0.00 66.02 64.32 1cee s SER 83 CO 0.26 -0.55 1.76 0.58 0.98 0.00 0.00 173.24 176.28 1cee h VAL 84 N 5.57 1.32 -0.69 5.02 2.07 -1.59 -2.98 116.25 124.97 1cee h VAL 84 Ca -0.26 -1.52 -0.42 0.00 0.82 0.00 0.00 66.70 65.32 1cee h VAL 84 Cb 1.11 1.82 -0.21 0.00 -1.52 0.00 0.00 31.29 32.49 1cee h VAL 84 CO 0.84 0.44 0.54 1.33 0.02 0.00 0.00 177.57 180.74 1cee n VAL 85 N -4.01 2.87 -3.28 2.57 0.24 -1.26 0.14 118.33 115.59 1cee n VAL 85 Ca -0.02 -1.80 -0.06 0.00 -2.04 0.00 0.00 64.34 60.42 1cee n VAL 85 Cb 0.47 -0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.62 -0.11 0.32 -1.34 0.15 -1.13 -4.77 113.70 106.21 1cee s SER 86 Ca 0.42 -0.00 0.22 0.00 0.70 0.00 0.00 55.95 57.30 1cee s SER 86 Cb 0.34 1.35 1.17 0.00 -1.71 0.00 0.00 66.02 67.17 1cee s SER 86 CO 0.03 -0.32 1.69 -0.81 1.20 0.00 0.00 173.24 175.02 1cee n PRO 87 N 5.37 0.15 0.05 5.44 -0.04 -1.25 -2.62 135.00 142.10 1cee n PRO 87 Ca -0.00 0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1cee n PRO 87 Cb 0.50 -1.96 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.17 -0.40 3.54 4.64 -1.94 -3.01 113.55 116.22 1cee h SER 88 Ca 0.00 -0.38 0.07 0.00 -0.47 0.00 0.00 61.79 61.01 1cee h SER 88 Cb 0.07 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 1cee h SER 88 CO 0.00 0.39 0.00 0.28 -0.87 0.00 0.00 176.83 176.63 1cee h SER 89 N -0.82 -0.16 -1.02 4.97 0.02 -1.80 -0.58 113.55 114.16 1cee h SER 89 Ca -0.02 0.09 0.25 0.00 -0.84 0.00 0.00 61.79 61.27 1cee h SER 89 Cb 0.54 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.12 1cee h SER 89 CO 0.03 -0.04 0.62 0.15 -1.14 0.00 0.00 176.83 176.45 1cee h PHE 90 N 0.11 0.93 0.54 3.45 3.57 -1.62 1.59 116.94 125.51 1cee h PHE 90 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1cee h PHE 90 Cb 0.28 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1cee h PHE 90 CO -0.27 0.07 -0.26 0.93 -2.23 0.00 0.00 178.31 176.56 1cee h GLU 91 N 0.54 -0.69 -0.73 1.11 4.39 -0.97 -3.07 114.58 115.16 1cee h GLU 91 Ca 0.63 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 60.33 1cee h GLU 91 Cb 1.29 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 1cee h GLU 91 CO -0.43 -0.39 0.25 -0.91 -1.16 0.00 0.00 179.01 176.37 1cee h ASN 92 N -0.95 1.03 -1.00 1.42 2.35 -0.87 -2.36 115.58 115.20 1cee h ASN 92 Ca -0.07 -0.18 0.38 0.00 -0.55 0.00 0.00 56.30 55.87 1cee h ASN 92 Cb 0.62 -0.27 -0.18 0.00 0.05 0.00 0.00 38.32 38.54 1cee h ASN 92 CO 0.12 0.95 0.39 0.52 -1.65 0.00 0.00 177.43 177.75 1cee n VAL 93 N -4.26 -0.42 0.06 2.81 0.31 0.53 0.19 118.33 117.54 1cee n VAL 93 Ca 0.06 2.07 0.03 0.00 -0.01 0.00 0.00 64.34 66.49 1cee n VAL 93 Cb 0.21 -3.26 -0.06 0.00 -0.91 0.00 0.00 33.84 29.82 1cee n VAL 93 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1cee h LYS 94 N 0.00 0.00 -1.56 5.55 2.10 -1.39 -3.16 116.57 118.11 1cee h LYS 94 Ca 0.78 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.95 1cee h LYS 94 Cb 1.95 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.87 1cee h LYS 94 CO -0.82 0.23 -1.02 0.39 -2.00 0.00 0.00 179.45 176.23 1cee n GLU 95 N -2.86 1.90 0.00 0.07 -0.58 0.42 -4.66 120.64 114.93 1cee n GLU 95 Ca -0.07 -3.79 0.00 0.00 -0.42 0.00 0.00 57.16 52.88 1cee n GLU 95 Cb 0.76 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1cee n LYS 96 N -0.09 0.00 0.24 3.49 5.02 0.49 -4.69 118.16 122.62 1cee n LYS 96 Ca 0.23 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.42 1cee n LYS 96 Cb 0.68 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.64 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1cee h TRP 97 N 0.00 -0.61 -0.00 2.13 4.06 -1.49 -2.99 115.95 117.05 1cee h TRP 97 Ca 0.00 -0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 1cee h TRP 97 Cb 0.00 0.20 0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1cee h TRP 97 CO 0.00 -0.38 -0.50 0.28 -3.56 0.00 0.00 178.44 174.27 1cee h VAL 98 N -1.07 1.46 -0.89 1.49 2.07 -1.80 -3.29 116.25 114.22 1cee h VAL 98 Ca -0.07 -2.05 0.18 0.00 0.82 0.00 0.00 66.70 65.58 1cee h VAL 98 Cb 0.51 2.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 1cee h VAL 98 CO 0.11 0.59 0.58 -0.65 0.02 0.00 0.00 177.57 178.22 1cee h PRO 99 N -0.22 0.50 -0.67 1.57 0.11 -1.83 0.32 132.00 131.78 1cee h PRO 99 Ca -0.06 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1cee h PRO 99 Cb 1.23 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1cee h PRO 99 CO 0.10 0.33 0.45 0.93 -0.21 0.00 0.00 178.00 179.60 1cee h GLU 100 N 0.52 0.85 0.09 1.05 5.08 -1.59 -1.52 114.58 119.05 1cee h GLU 100 Ca 0.46 -0.05 -0.36 0.00 -1.00 0.00 0.00 59.36 58.42 1cee h GLU 100 Cb 0.99 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1cee h GLU 100 CO -0.20 0.56 -2.01 0.44 -1.00 0.00 0.00 179.01 176.80 1cee n ILE 101 N -4.44 1.70 -0.13 3.13 -5.35 -0.17 -3.59 119.36 110.51 1cee n ILE 101 Ca 0.08 -0.57 0.24 0.00 -0.27 0.00 0.00 62.75 62.23 1cee n ILE 101 Cb 0.08 -1.72 0.67 0.00 -1.74 0.00 0.00 39.64 36.92 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 -0.09 0.65 -0.03 7.28 1.35 -0.37 1.34 112.91 123.03 1cee h THR 102 Ca -0.45 -0.03 -0.26 0.00 -0.55 0.00 0.00 66.41 65.13 1cee h THR 102 Cb 1.92 0.56 0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1cee h THR 102 CO 0.01 0.01 -0.98 0.45 -0.25 0.00 0.00 175.52 174.76 1cee h HIS 103 N 0.08 1.03 0.00 4.73 3.86 -1.42 0.30 115.15 123.73 1cee h HIS 103 Ca 0.37 -0.54 -0.18 0.00 -1.16 0.00 0.00 60.37 58.86 1cee h HIS 103 Cb 1.35 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1cee h HIS 103 CO -0.00 1.37 -0.86 0.45 0.86 0.00 0.00 177.93 179.75 1cee h HIS 104 N 0.42 0.05 -1.36 2.45 -0.00 -0.71 -3.41 115.15 112.58 1cee h HIS 104 Ca -0.11 -0.03 -0.24 0.00 -0.00 0.00 0.00 60.37 60.00 1cee h HIS 104 Cb 1.63 -0.00 -0.22 0.00 -0.00 0.00 0.00 27.41 28.81 1cee h HIS 104 CO 0.10 0.87 -0.59 0.00 -0.00 0.00 0.00 177.93 178.31 1cee n PRO 106 N 3.41 0.81 -0.05 0.00 -0.04 0.10 -3.06 135.00 136.18 1cee n PRO 106 Ca 0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1cee n PRO 106 Cb 0.53 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1cee n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1cee n LYS 107 N -0.76 1.44 -2.44 0.54 0.00 -1.26 -4.99 118.16 110.69 1cee n LYS 107 Ca 0.10 -0.04 -0.40 0.00 -0.00 0.00 0.00 58.31 57.97 1cee n LYS 107 Cb 0.05 -1.34 -0.04 0.00 -0.00 0.00 0.00 35.03 33.69 1cee n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1cee s THR 108 N -2.51 3.41 0.94 0.58 -4.23 -1.17 -5.01 115.64 107.66 1cee s THR 108 Ca -0.06 1.42 -0.13 0.00 -1.18 0.00 0.00 61.69 61.74 1cee s THR 108 Cb 0.05 -3.90 0.04 0.00 1.34 0.00 0.00 72.50 70.03 1cee s THR 108 CO 0.56 0.34 0.45 -0.81 -0.54 0.00 0.00 174.62 174.63 1cee n PRO 109 N 1.18 -0.28 -3.52 3.99 -0.04 -1.22 -4.92 135.00 130.18 1cee n PRO 109 Ca -0.01 -0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.16 1cee n PRO 109 Cb 0.44 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.40 0.09 0.35 0.54 0.08 -1.26 -3.13 117.98 112.26 1cee s PHE 110 Ca 0.58 -0.52 -0.25 0.00 0.12 0.00 0.00 56.93 56.85 1cee s PHE 110 Cb -0.22 -0.72 -0.09 0.00 -0.57 0.00 0.00 43.02 41.42 1cee s PHE 110 CO 0.67 -0.76 1.00 -1.17 -0.10 0.00 0.00 175.22 174.86 1cee s LEU 111 N 2.18 4.27 -0.54 -0.37 2.96 -0.56 -0.06 118.68 126.55 1cee s LEU 111 Ca 0.07 1.95 -0.02 0.00 -0.22 0.00 0.00 54.13 55.91 1cee s LEU 111 Cb -0.16 -4.06 0.14 0.00 0.50 0.00 0.00 46.19 42.61 1cee s LEU 111 CO -0.28 -0.26 0.35 -0.22 -1.32 0.00 0.00 176.35 174.62 1cee s LEU 112 N -2.27 5.19 -0.07 -0.68 2.96 -0.15 -2.56 118.68 121.10 1cee s LEU 112 Ca 0.53 -2.58 -0.14 0.00 -0.22 0.00 0.00 54.13 51.73 1cee s LEU 112 Cb -0.21 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1cee s LEU 112 CO 0.27 -0.42 0.35 -0.69 -1.32 0.00 0.00 176.35 174.54 1cee s VAL 113 N 0.34 5.18 -0.30 1.68 1.01 -0.14 -0.45 120.40 127.73 1cee s VAL 113 Ca 0.14 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1cee s VAL 113 Cb -0.21 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1cee s VAL 113 CO -0.04 0.51 -0.02 -0.83 0.00 0.00 0.00 175.10 174.72 1cee s GLY 114 N -0.48 1.75 0.46 4.51 0.00 0.10 -0.97 107.32 112.69 1cee s GLY 114 Ca 0.21 -1.88 0.08 0.00 0.00 0.00 0.00 44.72 43.13 1cee s GLY 114 CO 0.09 0.71 0.60 -1.59 0.00 0.00 0.00 173.10 172.91 1cee s THR 115 N 1.16 2.72 -0.30 0.90 2.01 -0.43 -1.07 115.64 120.64 1cee s THR 115 Ca -0.04 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1cee s THR 115 Cb -0.20 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1cee s THR 115 CO -0.03 0.00 0.26 0.00 -0.69 0.00 0.00 174.62 174.16 1cee n GLN 116 N -1.92 -1.23 0.04 4.92 1.13 -1.26 -1.79 117.38 117.27 1cee n GLN 116 Ca 0.09 0.23 -0.14 0.00 -1.94 0.00 0.00 57.00 55.24 1cee n GLN 116 Cb 0.60 -3.06 -0.14 0.00 0.11 0.00 0.00 30.24 27.75 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1cee h ILE 117 N -0.41 1.09 -0.64 5.09 2.04 -1.86 -3.31 117.51 119.53 1cee h ILE 117 Ca -0.16 -2.81 0.14 0.00 1.00 0.00 0.00 64.86 63.03 1cee h ILE 117 Cb 1.09 2.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.79 1cee h ILE 117 CO 0.13 0.76 0.44 -2.24 0.00 0.00 0.00 178.15 177.24 1cee h ASP 118 N 0.04 0.23 0.01 1.72 2.03 -1.96 -1.20 116.42 117.30 1cee h ASP 118 Ca -0.24 0.01 -0.19 0.00 -0.73 0.00 0.00 57.03 55.88 1cee h ASP 118 Cb 1.98 -0.04 0.02 0.00 -0.83 0.00 0.00 39.33 40.47 1cee h ASP 118 CO 0.13 0.12 -0.75 -0.07 -1.03 0.00 0.00 179.24 177.64 1cee h LEU 119 N 0.25 0.65 -1.96 0.15 -0.00 -1.91 -2.54 115.31 109.94 1cee h LEU 119 Ca 0.31 -0.77 0.03 0.00 -0.00 0.00 0.00 57.88 57.45 1cee h LEU 119 Cb 0.86 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 1cee h LEU 119 CO -0.06 1.33 0.10 -0.09 -0.00 0.00 0.00 178.44 179.72 1cee h ARG 120 N 0.03 0.05 -0.60 1.13 2.43 -1.34 0.37 114.38 116.46 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 1.45 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1cee h ARG 120 CO 0.15 0.03 0.00 -3.47 -1.51 0.00 0.00 179.97 175.17 1cee n ASP 121 N -4.50 4.76 -4.00 -3.80 2.03 -0.71 -4.77 116.55 105.55 1cee n ASP 121 Ca 0.00 -2.53 -0.32 0.00 0.52 0.00 0.00 54.79 52.46 1cee n ASP 121 Cb 0.19 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 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 -0.98 4.62 0.56 1.67 -1.08 0.12 -4.96 116.67 116.62 1cee s ASP 122 Ca 0.50 -2.81 0.48 0.00 -0.52 0.00 0.00 52.55 50.20 1cee s ASP 122 Cb 0.33 -1.69 1.71 0.00 -1.46 0.00 0.00 42.92 41.81 1cee s ASP 122 CO 0.22 -0.30 1.62 -0.65 0.52 0.00 0.00 175.17 176.58 1cee h PRO 123 N 6.85 0.00 -0.77 4.34 0.11 -1.86 0.61 132.00 141.27 1cee h PRO 123 Ca -0.06 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.23 1cee h PRO 123 Cb 0.93 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 1cee h PRO 123 CO 0.67 0.00 0.53 0.66 -0.21 0.00 0.00 178.00 179.65 1cee h SER 124 N 0.00 0.23 0.03 -2.05 4.64 -1.93 1.41 113.55 115.88 1cee h SER 124 Ca 0.87 0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 61.83 1cee h SER 124 Cb 3.51 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 65.52 1cee h SER 124 CO -0.01 0.11 -2.22 0.35 -0.87 0.00 0.00 176.83 174.19 1cee n THR 125 N -4.43 1.57 -0.18 2.95 -2.24 0.21 -3.02 114.28 109.15 1cee n THR 125 Ca 0.15 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1cee n THR 125 Cb 0.67 -1.71 0.02 0.00 -2.10 0.00 0.00 70.33 67.21 1cee n THR 125 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cee h ILE 126 N -0.42 1.17 0.00 2.28 2.04 -1.13 0.57 117.51 122.02 1cee h ILE 126 Ca -0.55 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 1cee h ILE 126 Cb 1.76 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1cee h ILE 126 CO -0.17 0.18 -0.67 -0.33 0.00 0.00 0.00 178.15 177.17 1cee h GLU 127 N 0.68 0.00 -0.05 2.37 5.08 0.17 1.24 114.58 124.07 1cee h GLU 127 Ca 0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1cee h GLU 127 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1cee h GLU 127 CO -0.03 0.67 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.94 1cee h LYS 128 N 0.00 0.12 0.00 2.33 3.64 -1.27 -3.11 116.57 118.28 1cee h LYS 128 Ca -0.01 -0.07 -0.30 0.00 -1.27 0.00 0.00 60.65 59.01 1cee h LYS 128 Cb 1.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1cee h LYS 128 CO 0.09 0.59 -1.91 1.47 -2.27 0.00 0.00 179.45 177.41 1cee n LEU 129 N -3.96 0.56 0.24 5.20 -0.00 0.19 -3.53 117.00 115.70 1cee n LEU 129 Ca -0.02 0.26 0.15 0.00 -0.00 0.00 0.00 56.01 56.41 1cee n LEU 129 Cb 0.52 0.27 0.67 0.00 -0.00 0.00 0.00 43.42 44.88 1cee n LEU 129 CO 0.42 0.39 1.13 0.00 -0.00 0.00 0.00 177.39 179.33 1cee h ALA 130 N 1.07 1.72 0.00 1.47 0.00 0.16 0.91 119.26 124.59 1cee h ALA 130 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cee h ALA 130 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1cee h ALA 130 CO 0.06 -0.59 -1.52 1.63 0.00 0.00 0.00 179.25 178.83 1cee n LYS 131 N -3.07 0.70 0.07 0.00 5.02 -1.23 -4.42 118.16 115.24 1cee n LYS 131 Ca 0.02 -0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1cee n LYS 131 Cb 0.59 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.91 0.72 0.00 4.39 3.02 0.19 -4.97 115.26 116.70 1cee n ASN 132 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1cee n ASN 132 Cb 0.35 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1cee n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cee n LYS 133 N -2.34 0.00 -3.16 3.52 4.01 0.26 -5.05 118.16 115.40 1cee n LYS 133 Ca 0.01 0.06 -0.18 0.00 -0.51 0.00 0.00 58.31 57.69 1cee n LYS 133 Cb 0.49 -0.95 0.01 0.00 -0.51 0.00 0.00 35.03 34.07 1cee n LYS 133 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1cee s GLN 134 N -1.17 2.93 -0.29 1.97 0.74 -1.00 -5.03 119.66 117.81 1cee s GLN 134 Ca 0.00 -1.08 -0.14 0.00 0.05 0.00 0.00 55.36 54.20 1cee s GLN 134 Cb 0.00 -2.75 0.11 0.00 1.10 0.00 0.00 33.01 31.47 1cee s GLN 134 CO 0.00 -0.18 0.71 -1.59 -0.55 0.00 0.00 175.29 173.69 1cee s LYS 135 N -4.32 0.61 0.89 1.67 -2.85 -1.26 -4.38 119.74 110.09 1cee s LYS 135 Ca 0.51 1.25 -0.11 0.00 -1.00 0.00 0.00 55.97 56.62 1cee s LYS 135 Cb -0.10 0.45 0.13 0.00 -2.06 0.00 0.00 37.83 36.25 1cee s LYS 135 CO 0.33 -0.16 1.11 -2.14 0.10 0.00 0.00 175.35 174.58 1cee s PRO 136 N 2.17 1.26 -0.01 1.78 0.02 -1.26 -3.93 135.00 135.03 1cee s PRO 136 Ca -0.08 1.20 -0.08 0.00 0.02 0.00 0.00 61.00 62.07 1cee s PRO 136 Cb -0.08 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1cee s PRO 136 CO -0.19 -2.35 0.27 0.42 -0.33 0.00 0.00 177.00 174.82 1cee s ILE 137 N -2.77 5.29 0.35 2.83 -1.09 0.37 -4.96 121.20 121.23 1cee s ILE 137 Ca 0.64 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 59.33 1cee s ILE 137 Cb -0.20 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1cee s ILE 137 CO 0.58 0.42 0.57 0.42 -1.23 0.00 0.00 174.94 175.70 1cee s THR 138 N -1.24 5.08 0.35 2.92 -4.23 -1.26 -4.93 115.64 112.33 1cee s THR 138 Ca 0.25 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1cee s THR 138 Cb -0.13 -3.85 0.29 0.00 1.34 0.00 0.00 72.50 70.15 1cee s THR 138 CO 0.14 -0.56 1.95 -0.65 -0.54 0.00 0.00 174.62 174.96 1cee h PRO 139 N 0.82 0.80 -0.31 3.99 0.11 -1.99 -1.43 132.00 133.99 1cee h PRO 139 Ca -0.49 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1cee h PRO 139 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1cee h PRO 139 CO 0.62 0.53 -0.24 0.93 -0.21 0.00 0.00 178.00 179.63 1cee h GLU 140 N 0.83 0.61 -0.27 1.05 5.08 -2.00 -1.18 114.58 118.70 1cee h GLU 140 Ca 0.33 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1cee h GLU 140 Cb 0.24 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1cee h GLU 140 CO -0.11 0.80 -0.40 1.15 -1.00 0.00 0.00 179.01 179.45 1cee h THR 141 N 0.53 1.30 -0.30 1.13 2.02 -1.69 -3.10 112.91 112.79 1cee h THR 141 Ca 0.08 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.60 1cee h THR 141 Cb 0.70 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1cee h THR 141 CO 0.05 0.51 -0.07 0.00 0.37 0.00 0.00 175.52 176.38 1cee h ALA 142 N 0.67 0.42 -0.31 6.16 0.00 -1.21 -3.21 119.26 121.78 1cee h ALA 142 Ca 0.03 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1cee h ALA 142 Cb 0.99 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1cee h ALA 142 CO 0.09 0.24 -0.39 1.49 0.00 0.00 0.00 179.25 180.68 1cee h GLU 143 N 0.36 -0.34 -0.86 0.00 4.22 -1.25 -0.35 114.58 116.36 1cee h GLU 143 Ca 0.08 0.02 0.20 0.00 0.08 0.00 0.00 59.36 59.74 1cee h GLU 143 Cb 0.55 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.72 1cee h GLU 143 CO 0.03 -0.23 -0.08 -0.22 -2.18 0.00 0.00 179.01 176.33 1cee h LYS 144 N -0.35 0.04 -0.42 1.92 3.64 -1.55 0.73 116.57 120.57 1cee h LYS 144 Ca 0.13 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1cee h LYS 144 Cb 0.58 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1cee h LYS 144 CO -0.50 0.02 0.24 -0.07 -2.27 0.00 0.00 179.45 176.87 1cee h LEU 145 N 0.04 0.52 -2.03 5.20 4.07 -1.20 1.01 115.31 122.92 1cee h LEU 145 Ca 0.46 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.48 1cee h LEU 145 Cb 0.82 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1cee h LEU 145 CO -0.83 0.45 0.35 0.00 -1.08 0.00 0.00 178.44 177.33 1cee h ALA 146 N 1.10 2.34 0.00 1.53 0.00 0.20 0.28 119.26 124.70 1cee h ALA 146 Ca 0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1cee h ALA 146 Cb 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1cee h ALA 146 CO -0.03 -0.58 -1.97 0.54 0.00 0.00 0.00 179.25 177.22 1cee n ARG 147 N -4.21 0.66 0.09 0.00 1.74 0.03 0.16 116.66 115.13 1cee n ARG 147 Ca 0.08 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 1cee n ARG 147 Cb 0.55 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.00 0.25 -0.53 0.55 1.82 0.28 -3.09 116.42 115.70 1cee h ASP 148 Ca -0.28 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1cee h ASP 148 Cb 1.73 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1cee h ASP 148 CO 0.03 0.89 0.00 0.18 -1.61 0.00 0.00 179.24 178.73 1cee n LEU 149 N -3.76 5.36 -1.72 2.28 4.77 0.83 -4.91 117.00 119.84 1cee n LEU 149 Ca -0.03 -2.91 -0.21 0.00 -0.03 0.00 0.00 56.01 52.84 1cee n LEU 149 Cb 0.71 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1cee n LEU 149 CO 0.46 0.65 -0.21 0.29 -1.33 0.00 0.00 177.39 177.26 1cee n LYS 150 N 0.47 -1.49 -1.70 3.23 5.02 -1.17 -4.90 118.16 117.63 1cee n LYS 150 Ca 0.27 1.18 -0.44 0.00 -2.02 0.00 0.00 58.31 57.30 1cee n LYS 150 Cb 1.12 -5.61 -0.02 0.00 -0.02 0.00 0.00 35.03 30.50 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee n ALA 151 N 0.83 1.76 -0.18 7.82 0.00 0.43 -4.58 120.51 126.59 1cee n ALA 151 Ca -0.21 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.73 1cee n ALA 151 Cb 0.68 -2.36 0.41 0.00 0.00 0.00 0.00 19.45 18.18 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 3.24 0.92 -1.11 0.00 -1.51 -0.69 -3.42 116.25 113.68 1cee h VAL 152 Ca -0.46 -0.21 0.24 0.00 -1.23 0.00 0.00 66.70 65.04 1cee h VAL 152 Cb 1.25 0.24 -0.26 0.00 -2.13 0.00 0.00 31.29 30.39 1cee h VAL 152 CO 0.79 0.11 0.92 -0.75 -1.23 0.00 0.00 177.57 177.41 1cee s LYS 153 N -5.58 0.11 -0.19 5.19 2.47 -1.26 -5.04 119.74 115.45 1cee s LYS 153 Ca -0.09 0.02 -0.11 0.00 -1.56 0.00 0.00 55.97 54.23 1cee s LYS 153 Cb 0.20 0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.57 1cee s LYS 153 CO 0.77 -0.04 0.17 -0.47 0.16 0.00 0.00 175.35 175.94 1cee s TYR 154 N -1.14 3.43 -0.06 4.03 5.04 -1.26 -0.98 117.35 126.41 1cee s TYR 154 Ca 0.08 0.40 -0.04 0.00 -2.44 0.00 0.00 57.07 55.08 1cee s TYR 154 Cb -0.01 -2.19 0.03 0.00 0.35 0.00 0.00 41.96 40.14 1cee s TYR 154 CO -0.07 0.30 0.15 0.14 -1.34 0.00 0.00 175.55 174.73 1cee s VAL 155 N 0.30 -0.03 -0.07 3.14 -7.23 0.41 -4.98 120.40 111.95 1cee s VAL 155 Ca 0.10 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 1cee s VAL 155 Cb -0.12 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1cee s VAL 155 CO -0.00 0.04 0.04 -1.61 -0.31 0.00 0.00 175.10 173.26 1cee s GLU 156 N 0.65 3.06 -0.08 4.82 2.02 -1.26 0.01 118.70 127.92 1cee s GLU 156 Ca -0.05 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.24 1cee s GLU 156 Cb -0.06 -2.87 0.09 0.00 0.10 0.00 0.00 34.13 31.39 1cee s GLU 156 CO -0.03 0.70 0.79 0.00 0.02 0.00 0.00 175.26 176.74 1cee s SER 158 N -1.21 1.11 -0.24 0.00 0.15 -1.24 -4.01 113.70 108.25 1cee s SER 158 Ca -0.07 -1.30 -0.11 0.00 0.70 0.00 0.00 55.95 55.16 1cee s SER 158 Cb -0.00 0.16 -0.16 0.00 -1.71 0.00 0.00 66.02 64.31 1cee s SER 158 CO 0.06 -0.68 -0.12 0.00 1.20 0.00 0.00 173.24 173.70 1cee n ALA 159 N -0.36 1.12 -0.08 5.45 0.00 -1.26 -2.36 120.51 123.02 1cee n ALA 159 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 53.44 52.44 1cee n ALA 159 Cb 0.65 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1cee n ALA 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cee h LEU 160 N -0.67 -0.53 0.08 0.00 3.38 -1.98 -3.12 115.31 112.47 1cee h LEU 160 Ca -0.57 0.12 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 1cee h LEU 160 Cb 1.66 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.67 1cee h LEU 160 CO -0.25 -0.19 -1.89 0.41 0.09 0.00 0.00 178.44 176.61 1cee n THR 161 N -5.33 1.73 -1.54 0.22 -1.04 -1.26 -4.99 114.28 102.07 1cee n THR 161 Ca 0.01 -0.71 -0.04 0.00 -2.04 0.00 0.00 64.05 61.27 1cee n THR 161 Cb 0.25 -1.49 -0.01 0.00 -1.82 0.00 0.00 70.33 67.26 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 -3.33 -0.30 -2.05 -2.82 6.02 -1.00 -4.97 117.38 108.94 1cee n GLN 162 Ca -0.26 0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1cee n GLN 162 Cb 1.05 -4.14 -0.03 0.00 1.02 0.00 0.00 30.24 28.14 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 -3.16 3.44 -1.78 -1.09 2.47 -1.26 -2.53 119.74 115.84 1cee s LYS 163 Ca 0.00 1.43 0.00 0.00 -1.56 0.00 0.00 55.97 55.84 1cee s LYS 163 Cb 0.00 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 1cee s LYS 163 CO 0.00 -1.72 0.00 0.41 0.16 0.00 0.00 175.35 174.20 1cee n GLY 164 N 5.27 1.35 0.33 5.54 0.00 -1.26 -3.67 105.19 112.75 1cee n GLY 164 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.68 0.00 0.99 5.85 -1.75 -2.94 115.31 118.14 1cee h LEU 165 Ca -0.37 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1cee h LEU 165 Cb 1.16 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1cee h LEU 165 CO 0.52 0.50 -0.11 0.50 -0.34 0.00 0.00 178.44 179.50 1cee h LYS 166 N 0.81 0.00 -0.97 1.25 3.64 -1.89 -3.35 116.57 116.05 1cee h LYS 166 Ca 0.22 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.90 1cee h LYS 166 Cb -0.09 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.58 1cee h LYS 166 CO -0.05 0.98 0.46 -0.91 -2.27 0.00 0.00 179.45 177.66 1cee h ASN 167 N -1.00 0.33 0.26 4.20 4.21 -1.94 -1.39 115.58 120.26 1cee h ASN 167 Ca -0.03 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1cee h ASN 167 Cb 1.00 0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 38.36 1cee h ASN 167 CO -0.02 -0.17 -0.52 0.58 -1.29 0.00 0.00 177.43 176.01 1cee h VAL 168 N 0.26 0.01 -0.65 2.81 2.07 -1.65 -1.47 116.25 117.62 1cee h VAL 168 Ca 0.69 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.33 1cee h VAL 168 Cb 1.56 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1cee h VAL 168 CO -0.65 0.00 0.44 -0.26 0.02 0.00 0.00 177.57 177.12 1cee h PHE 169 N -0.85 0.45 0.00 1.57 0.04 -1.44 0.24 116.94 116.96 1cee h PHE 169 Ca -0.03 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1cee h PHE 169 Cb 0.80 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 1cee h PHE 169 CO -0.38 0.20 -0.10 -0.44 -0.60 0.00 0.00 178.31 176.99 1cee h ASP 170 N 0.41 0.00 0.44 2.17 5.19 -0.86 -2.27 116.42 121.51 1cee h ASP 170 Ca 0.31 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.41 1cee h ASP 170 Cb 0.65 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.16 1cee h ASP 170 CO -0.09 0.10 -1.47 -0.33 -3.12 0.00 0.00 179.24 174.34 1cee h GLU 171 N 0.00 0.32 0.64 3.56 4.39 0.17 -3.13 114.58 120.53 1cee h GLU 171 Ca -0.00 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.12 1cee h GLU 171 Cb 0.21 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1cee h GLU 171 CO 0.01 1.22 -0.33 0.00 -1.16 0.00 0.00 179.01 178.76 1cee h ALA 172 N 0.42 -1.22 -0.30 3.43 0.00 -0.81 0.70 119.26 121.48 1cee h ALA 172 Ca -0.23 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1cee h ALA 172 Cb 2.04 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 20.13 1cee h ALA 172 CO 0.20 -1.16 -0.27 0.82 0.00 0.00 0.00 179.25 178.84 1cee h ILE 173 N -0.88 0.34 -0.85 0.00 5.03 -1.64 1.35 117.51 120.86 1cee h ILE 173 Ca -0.09 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.86 1cee h ILE 173 Cb 0.68 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.76 1cee h ILE 173 CO 0.13 0.00 0.58 0.25 -0.68 0.00 0.00 178.15 178.43 1cee h LEU 174 N -0.25 0.24 0.08 1.44 5.85 -1.51 -0.08 115.31 121.08 1cee h LEU 174 Ca 0.15 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 1cee h LEU 174 Cb 0.49 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1cee h LEU 174 CO -0.44 0.10 -0.95 0.00 -0.34 0.00 0.00 178.44 176.81 1cee h ALA 175 N 1.61 0.10 0.40 1.25 0.00 0.19 -3.39 119.26 119.42 1cee h ALA 175 Ca 0.43 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1cee h ALA 175 Cb 1.28 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1cee h ALA 175 CO -0.10 0.53 -0.45 0.00 0.00 0.00 0.00 179.25 179.22 1cee h ALA 176 N -0.09 -0.97 -2.95 0.00 0.00 0.24 -3.44 119.26 112.06 1cee h ALA 176 Ca -0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1cee h ALA 176 Cb 1.49 0.66 0.05 0.00 0.00 0.00 0.00 17.79 19.99 1cee h ALA 176 CO 0.02 -1.09 -0.04 1.28 0.00 0.00 0.00 179.25 179.42 1cee n LEU 177 N -5.52 0.00 -3.78 0.00 4.77 -0.12 -4.69 117.00 107.65 1cee n LEU 177 Ca -0.11 -0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 55.60 1cee n LEU 177 Cb 0.42 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1cee n LEU 177 CO 0.26 -1.79 0.47 -1.83 -1.33 0.00 0.00 177.39 173.17 1cee s GLU 178 N -3.27 1.67 0.00 3.23 -1.05 -1.26 -4.98 118.70 113.05 1cee s GLU 178 Ca 0.15 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 1cee s GLU 178 Cb -0.03 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1cee s GLU 178 CO 0.13 -0.76 0.25 -0.35 0.95 0.00 0.00 175.26 175.48