#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cee s GLN 2 N 0.00 1.48 -0.02 0.03 -1.52 -1.26 -5.11 119.66 113.25 1cee s GLN 2 Ca 0.00 -0.82 -0.01 0.00 -1.95 0.00 0.00 55.36 52.59 1cee s GLN 2 Cb 0.00 -1.51 0.02 0.00 -0.22 0.00 0.00 33.01 31.31 1cee s GLN 2 CO 0.00 0.40 0.05 0.99 -0.25 0.00 0.00 175.29 176.48 1cee s THR 3 N -0.63 -0.03 -0.25 -0.19 2.01 -1.26 -2.50 115.64 112.78 1cee s THR 3 Ca 0.07 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1cee s THR 3 Cb -0.08 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1cee s THR 3 CO 0.00 0.05 0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1cee s ILE 4 N 0.67 5.29 -1.14 1.82 1.09 -1.13 -4.87 121.20 122.92 1cee s ILE 4 Ca -0.05 0.32 -0.14 0.00 -1.10 0.00 0.00 60.65 59.67 1cee s ILE 4 Cb -0.08 -3.58 0.17 0.00 -1.06 0.00 0.00 42.46 37.92 1cee s ILE 4 CO -0.02 0.27 1.35 -0.75 -0.10 0.00 0.00 174.94 175.69 1cee s LYS 5 N 1.48 4.00 -0.20 2.79 2.20 -1.26 0.16 119.74 128.90 1cee s LYS 5 Ca 0.10 -2.46 -0.23 0.00 -0.36 0.00 0.00 55.97 53.03 1cee s LYS 5 Cb -0.15 -5.00 -0.02 0.00 -1.51 0.00 0.00 37.83 31.15 1cee s LYS 5 CO 0.08 -1.73 0.73 0.00 -0.36 0.00 0.00 175.35 174.07 1cee s VAL 7 N 2.22 2.96 -0.28 0.00 1.01 -1.14 -1.12 120.40 124.06 1cee s VAL 7 Ca 0.33 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1cee s VAL 7 Cb -0.16 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1cee s VAL 7 CO 0.10 0.50 0.79 -0.69 0.00 0.00 0.00 175.10 175.81 1cee s VAL 8 N 0.75 4.82 -0.01 2.92 1.01 -0.63 -1.00 120.40 128.26 1cee s VAL 8 Ca -0.05 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1cee s VAL 8 Cb -0.15 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1cee s VAL 8 CO 0.01 -0.18 -0.11 0.68 0.00 0.00 0.00 175.10 175.51 1cee s VAL 9 N 2.90 3.33 0.00 2.92 -7.23 0.18 -3.73 120.40 118.77 1cee s VAL 9 Ca 0.33 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1cee s VAL 9 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1cee s VAL 9 CO 0.11 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1cee n GLY 10 N 1.81 2.18 2.03 2.32 0.00 -1.26 -3.17 105.19 109.10 1cee n GLY 10 Ca -0.16 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 6.53 0.00 1.61 8.00 -1.26 -4.24 116.55 127.18 1cee n ASP 11 Ca 0.00 -3.30 0.00 0.00 0.71 0.00 0.00 54.79 52.20 1cee n ASP 11 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1cee n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cee n GLY 12 N -0.18 -2.09 7.00 0.44 0.00 -1.26 -4.84 105.19 104.26 1cee n GLY 12 Ca 0.42 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee n ALA 13 N 0.01 0.00 -0.25 4.61 0.00 -1.26 -4.93 120.51 118.69 1cee n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cee n ALA 13 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.07 0.00 -3.16 0.00 0.24 -1.26 -4.59 118.33 109.49 1cee n VAL 14 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1cee n VAL 14 Cb 0.00 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 1cee n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cee n GLY 15 N -0.09 3.91 0.07 7.63 0.00 -1.26 -4.91 105.19 110.54 1cee n GLY 15 Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 1cee n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cee h LYS 16 N 3.34 0.09 0.00 1.61 2.10 -1.96 -2.35 116.57 119.40 1cee h LYS 16 Ca 0.11 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.67 1cee h LYS 16 Cb 0.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1cee h LYS 16 CO 0.58 0.56 -0.21 1.15 -2.00 0.00 0.00 179.45 179.53 1cee h THR 17 N -0.38 1.14 -0.69 0.07 2.02 -1.94 -0.46 112.91 112.67 1cee h THR 17 Ca 0.01 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1cee h THR 17 Cb 0.54 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1cee h THR 17 CO 0.01 0.21 0.26 0.00 0.37 0.00 0.00 175.52 176.37 1cee h LEU 19 N 1.00 0.00 -0.68 0.00 8.10 -0.85 -3.13 115.31 119.75 1cee h LEU 19 Ca 0.23 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.34 1cee h LEU 19 Cb 0.21 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.35 1cee h LEU 19 CO -0.02 0.42 0.24 -0.07 -4.11 0.00 0.00 178.44 174.90 1cee h LEU 20 N 0.00 0.20 0.10 0.17 3.38 -0.92 1.41 115.31 119.65 1cee h LEU 20 Ca -0.09 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1cee h LEU 20 Cb 1.40 0.09 0.02 0.00 0.09 0.00 0.00 40.66 42.26 1cee h LEU 20 CO 0.04 0.09 -0.62 0.40 0.09 0.00 0.00 178.44 178.44 1cee h ILE 21 N 0.39 1.58 0.00 1.22 1.08 -1.69 -3.16 117.51 116.93 1cee h ILE 21 Ca 0.36 -2.48 -0.01 0.00 -0.39 0.00 0.00 64.86 62.34 1cee h ILE 21 Cb 0.51 3.23 -0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1cee h ILE 21 CO -0.38 0.69 -0.06 0.28 -0.69 0.00 0.00 178.15 177.99 1cee h SER 22 N -0.51 0.00 0.04 1.72 0.02 -1.21 0.84 113.55 114.44 1cee h SER 22 Ca -0.11 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1cee h SER 22 Cb 1.48 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.03 1cee h SER 22 CO 0.12 0.06 -0.52 0.22 -1.14 0.00 0.00 176.83 175.56 1cee h TYR 23 N 0.00 0.46 0.00 3.45 3.20 0.18 -1.76 116.97 122.50 1cee h TYR 23 Ca -0.00 -0.28 -0.16 0.00 3.14 0.00 0.00 58.73 61.44 1cee h TYR 23 Cb 0.38 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1cee h TYR 23 CO 0.00 1.13 -2.15 -2.37 -1.64 0.00 0.00 178.16 173.13 1cee n THR 24 N -4.30 0.60 0.02 1.81 5.66 -1.15 -4.48 114.28 112.45 1cee n THR 24 Ca -0.11 -0.65 0.08 0.00 -3.05 0.00 0.00 64.05 60.32 1cee n THR 24 Cb 0.65 -0.21 -0.13 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.48 0.00 -1.14 1.09 -2.24 0.29 -4.99 114.28 104.81 1cee n THR 25 Ca -0.16 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1cee n THR 25 Cb 0.82 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -2.04 -4.22 -4.87 3.42 4.05 -0.66 -4.94 115.26 106.00 1cee n ASN 26 Ca -0.03 0.12 -0.21 0.00 0.45 0.00 0.00 54.58 54.91 1cee n ASN 26 Cb 0.42 -2.15 -0.04 0.00 1.23 0.00 0.00 39.78 39.24 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1cee s LYS 27 N -1.88 3.04 -0.55 1.20 2.47 -1.25 -4.91 119.74 117.86 1cee s LYS 27 Ca 0.00 -1.00 -0.05 0.00 -1.56 0.00 0.00 55.97 53.35 1cee s LYS 27 Cb 0.00 -2.65 0.14 0.00 -1.46 0.00 0.00 37.83 33.87 1cee s LYS 27 CO 0.00 0.37 0.38 0.12 0.16 0.00 0.00 175.35 176.38 1cee s PHE 28 N -2.11 3.49 0.62 4.03 5.36 -1.26 -2.58 117.98 125.52 1cee s PHE 28 Ca 0.34 -2.38 -0.10 0.00 -0.96 0.00 0.00 56.93 53.83 1cee s PHE 28 Cb -0.08 -3.33 0.16 0.00 -0.34 0.00 0.00 43.02 39.42 1cee s PHE 28 CO 0.26 -0.93 0.46 -0.35 -1.46 0.00 0.00 175.22 173.21 1cee n PRO 29 N 4.16 -2.58 0.00 10.12 -0.04 -1.26 -5.03 135.00 140.36 1cee n PRO 29 Ca 0.02 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1cee n PRO 29 Cb 0.40 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1cee n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cee n SER 30 N -4.06 0.00 -4.69 3.54 2.88 -1.26 -5.08 113.62 104.95 1cee n SER 30 Ca 0.07 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.17 1cee n SER 30 Cb 0.28 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cee n GLU 31 N -2.14 2.20 -3.66 -1.46 2.13 -1.26 -4.99 120.64 111.46 1cee n GLU 31 Ca 0.00 0.79 -0.06 0.00 0.66 0.00 0.00 57.16 58.54 1cee n GLU 31 Cb 0.00 -2.49 -0.08 0.00 0.27 0.00 0.00 31.44 29.14 1cee n GLU 31 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1cee s TYR 32 N 0.13 -0.95 0.14 4.31 -0.85 -1.26 -5.02 117.35 113.84 1cee s TYR 32 Ca 0.69 1.76 0.00 0.00 -0.52 0.00 0.00 57.07 59.00 1cee s TYR 32 Cb -0.62 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.17 1cee s TYR 32 CO 0.47 -0.53 0.00 0.28 -1.52 0.00 0.00 175.55 174.25 1cee n VAL 33 N 5.36 0.00 0.00 -3.49 0.31 -1.26 -5.07 118.33 114.17 1cee n VAL 33 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1cee n VAL 33 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1cee n VAL 33 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1cee n PRO 34 N -2.69 0.00 -1.81 5.55 -0.04 -1.26 -4.86 135.00 129.88 1cee n PRO 34 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1cee n PRO 34 Cb 0.00 -0.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 1cee n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1cee n THR 35 N -0.36 -0.28 0.09 0.52 -1.04 -1.26 -4.84 114.28 107.11 1cee n THR 35 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1cee n THR 35 Cb 0.00 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 66.55 1cee n THR 35 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1cee h VAL 36 N 0.00 0.00 -1.00 12.58 2.07 -1.88 -2.64 116.25 125.38 1cee h VAL 36 Ca -0.37 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1cee h VAL 36 Cb 1.17 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.75 1cee h VAL 36 CO 0.50 0.00 -0.44 0.12 0.02 0.00 0.00 177.57 177.77 1cee s PHE 37 N -4.85 -1.75 -0.44 1.57 5.36 -1.25 -1.99 117.98 114.63 1cee s PHE 37 Ca -0.11 0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.10 1cee s PHE 37 Cb 0.04 0.32 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 1cee s PHE 37 CO 0.40 -1.17 0.32 -0.51 -1.46 0.00 0.00 175.22 172.80 1cee s ASP 38 N 1.97 5.85 -0.22 6.13 1.11 -1.17 -4.96 116.67 125.38 1cee s ASP 38 Ca 0.15 -1.42 -0.08 0.00 0.18 0.00 0.00 52.55 51.39 1cee s ASP 38 Cb -0.05 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 1cee s ASP 38 CO -0.09 -0.58 0.07 0.21 1.18 0.00 0.00 175.17 175.96 1cee s ASN 39 N 2.31 5.38 0.32 0.27 3.04 -1.26 -2.93 114.94 122.06 1cee s ASN 39 Ca 0.03 -0.08 0.05 0.00 0.04 0.00 0.00 52.86 52.91 1cee s ASN 39 Cb -0.23 -1.95 -0.06 0.00 -1.54 0.00 0.00 41.25 37.46 1cee s ASN 39 CO 0.04 0.05 0.00 -0.31 -3.04 0.00 0.00 177.10 173.84 1cee s TYR 40 N 1.12 2.03 -0.09 0.43 1.51 -0.57 -5.02 117.35 116.75 1cee s TYR 40 Ca 0.04 -0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1cee s TYR 40 Cb -0.14 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1cee s TYR 40 CO 0.03 0.18 -0.02 0.00 -1.11 0.00 0.00 175.55 174.64 1cee s ALA 41 N -3.10 0.92 -0.09 3.71 0.00 -1.26 -1.69 121.76 120.25 1cee s ALA 41 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1cee s ALA 41 Cb 0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1cee s ALA 41 CO 0.14 -0.51 0.04 0.08 0.00 0.00 0.00 175.76 175.51 1cee s VAL 42 N 1.88 4.61 -0.34 0.00 1.01 -0.74 -4.90 120.40 121.92 1cee s VAL 42 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1cee s VAL 42 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1cee s VAL 42 CO -0.06 0.60 0.19 -0.89 0.00 0.00 0.00 175.10 174.93 1cee s THR 43 N -0.93 4.69 0.23 3.92 2.01 -1.26 0.17 115.64 124.46 1cee s THR 43 Ca 0.14 -0.56 0.11 0.00 0.31 0.00 0.00 61.69 61.68 1cee s THR 43 Cb -0.12 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1cee s THR 43 CO 0.03 -0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.01 1cee s VAL 44 N 1.61 2.21 -0.93 3.82 1.01 -1.12 -4.90 120.40 122.09 1cee s VAL 44 Ca 0.04 -2.19 -0.16 0.00 0.00 0.00 0.00 61.98 59.66 1cee s VAL 44 Cb -0.18 -2.13 0.17 0.00 0.00 0.00 0.00 36.38 34.24 1cee s VAL 44 CO 0.07 -0.34 1.04 -0.04 0.00 0.00 0.00 175.10 175.82 1cee s MET 45 N -3.19 3.68 -0.17 2.72 -1.94 -1.26 0.13 119.30 119.27 1cee s MET 45 Ca 0.24 -2.16 -0.08 0.00 -1.71 0.00 0.00 55.69 51.99 1cee s MET 45 Cb -0.05 -4.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.00 1cee s MET 45 CO 0.11 -1.58 0.08 0.42 -0.01 0.00 0.00 175.02 174.04 1cee s ILE 46 N 1.51 4.99 -1.59 2.53 1.01 0.15 -4.39 121.20 125.42 1cee s ILE 46 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1cee s ILE 46 Cb -0.07 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1cee s ILE 46 CO -0.08 0.49 0.31 0.61 0.00 0.00 0.00 174.94 176.26 1cee n GLY 47 N 3.22 -0.46 2.29 6.18 0.00 -1.26 -1.40 105.19 113.76 1cee n GLY 47 Ca -0.17 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.27 1.10 3.06 -0.02 0.00 -1.26 -5.00 105.19 101.80 1cee n GLY 48 Ca -0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.76 0.46 -0.01 1.61 2.02 -0.50 -5.12 118.70 114.41 1cee s GLU 49 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 1cee s GLU 49 Cb 0.00 0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 1cee s GLU 49 CO 0.00 -0.10 1.29 -1.25 0.02 0.00 0.00 175.26 175.22 1cee s PRO 50 N -1.95 4.33 0.28 0.39 0.04 -1.26 0.30 135.00 137.13 1cee s PRO 50 Ca -0.11 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1cee s PRO 50 Cb -0.05 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1cee s PRO 50 CO -0.02 -0.48 0.07 0.66 0.04 0.00 0.00 177.00 177.27 1cee n TYR 51 N 5.08 0.11 -3.52 0.56 4.02 0.34 -4.73 117.16 119.02 1cee n TYR 51 Ca 0.12 -1.33 -0.29 0.00 -0.01 0.00 0.00 57.90 56.39 1cee n TYR 51 Cb 0.45 -0.20 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 1cee n TYR 51 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1cee s THR 52 N -1.83 -0.03 -0.06 -0.72 2.01 -1.04 -2.80 115.64 111.17 1cee s THR 52 Ca 0.05 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1cee s THR 52 Cb -0.00 -1.01 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1cee s THR 52 CO 0.03 -0.79 1.73 -0.22 -0.69 0.00 0.00 174.62 174.69 1cee s LEU 53 N 1.86 4.27 -0.99 4.42 0.20 0.45 -2.82 118.68 126.07 1cee s LEU 53 Ca 0.11 2.25 -0.20 0.00 0.69 0.00 0.00 54.13 56.98 1cee s LEU 53 Cb -0.18 -3.53 0.10 0.00 -0.43 0.00 0.00 46.19 42.15 1cee s LEU 53 CO -0.28 -1.02 1.28 -0.83 -0.29 0.00 0.00 176.35 175.21 1cee s GLY 54 N 3.82 1.71 -0.40 7.98 0.00 0.42 -1.80 107.32 119.06 1cee s GLY 54 Ca 0.77 -2.63 -0.29 0.00 0.00 0.00 0.00 44.72 42.57 1cee s GLY 54 CO 0.32 2.27 1.11 1.08 0.00 0.00 0.00 173.10 177.89 1cee s LEU 55 N 3.47 3.77 -0.13 0.66 1.43 -0.68 -0.90 118.68 126.31 1cee s LEU 55 Ca 0.39 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1cee s LEU 55 Cb -0.03 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1cee s LEU 55 CO -0.09 -1.08 -0.18 -0.36 0.23 0.00 0.00 176.35 174.88 1cee s PHE 56 N 4.10 2.26 -0.13 0.29 0.40 -0.27 -1.52 117.98 123.11 1cee s PHE 56 Ca 0.47 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1cee s PHE 56 Cb -0.10 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 1cee s PHE 56 CO 0.24 -0.55 -0.17 0.34 0.70 0.00 0.00 175.22 175.77 1cee s ASP 57 N 0.98 3.58 0.20 1.36 2.15 -1.15 -1.61 116.67 122.19 1cee s ASP 57 Ca -0.05 -0.45 0.06 0.00 0.43 0.00 0.00 52.55 52.54 1cee s ASP 57 Cb -0.15 -1.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 1cee s ASP 57 CO -0.03 0.14 0.11 0.42 -0.17 0.00 0.00 175.17 175.64 1cee s THR 58 N 0.51 4.22 0.00 1.71 -4.23 -1.24 -3.02 115.64 113.58 1cee s THR 58 Ca -0.12 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1cee s THR 58 Cb -0.16 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1cee s THR 58 CO 0.05 -0.20 0.65 0.00 -0.54 0.00 0.00 174.62 174.57 1cee n ALA 59 N -0.57 -0.07 0.00 3.99 0.00 -0.84 -4.85 120.51 118.17 1cee n ALA 59 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1cee n ALA 59 Cb 0.56 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.83 0.75 3.88 0.00 0.00 -1.26 -4.68 105.19 103.05 1cee n GLY 60 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.80 0.63 1.61 -1.52 -1.26 -4.28 119.66 118.64 1cee s GLN 61 Ca 0.00 0.32 0.38 0.00 -1.95 0.00 0.00 55.36 54.12 1cee s GLN 61 Cb 0.00 -2.56 2.15 0.00 -0.22 0.00 0.00 33.01 32.38 1cee s GLN 61 CO 0.00 0.20 2.31 1.49 -0.25 0.00 0.00 175.29 179.04 1cee h GLU 62 N 2.07 0.00 -0.82 2.91 4.57 -1.98 -2.25 114.58 119.08 1cee h GLU 62 Ca -0.47 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.87 1cee h GLU 62 Cb 1.18 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.71 1cee h GLU 62 CO 0.67 0.01 0.54 0.22 -1.18 0.00 0.00 179.01 179.27 1cee h ASP 63 N 0.00 0.43 -0.63 1.04 3.58 -2.04 0.28 116.42 119.08 1cee h ASP 63 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1cee h ASP 63 Cb 0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1cee h ASP 63 CO 0.00 0.21 0.00 -1.22 -2.88 0.00 0.00 179.24 175.35 1cee n TYR 64 N -4.50 1.48 0.16 0.28 4.02 -0.85 -4.46 117.16 113.30 1cee n TYR 64 Ca 0.16 -0.59 0.19 0.00 -0.01 0.00 0.00 57.90 57.66 1cee n TYR 64 Cb 0.57 -0.25 0.77 0.00 -0.02 0.00 0.00 39.34 40.41 1cee n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1cee h ASP 65 N 4.00 0.00 0.25 7.72 2.03 -0.54 1.27 116.42 131.16 1cee h ASP 65 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1cee h ASP 65 Cb 1.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.94 1cee h ASP 65 CO 0.24 0.00 -0.12 0.03 -1.03 0.00 0.00 179.24 178.36 1cee h ARG 66 N 0.00 -0.32 -0.60 4.15 2.47 -1.79 -3.31 114.38 114.98 1cee h ARG 66 Ca 0.14 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1cee h ARG 66 Cb 0.92 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1cee h ARG 66 CO -0.00 0.03 0.00 1.47 0.56 0.00 0.00 179.97 182.03 1cee n LEU 67 N -5.06 3.64 0.08 3.04 -0.00 -0.67 -4.59 117.00 113.43 1cee n LEU 67 Ca -0.09 -1.94 -0.07 0.00 -0.00 0.00 0.00 56.01 53.91 1cee n LEU 67 Cb 0.26 -0.40 -0.04 0.00 -0.00 0.00 0.00 43.42 43.24 1cee n LEU 67 CO 0.29 0.90 0.20 -0.09 -0.00 0.00 0.00 177.39 178.69 1cee h ARG 68 N 3.72 -0.28 0.00 1.47 2.43 0.15 -3.29 114.38 118.58 1cee h ARG 68 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1cee h ARG 68 Cb 0.92 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1cee h ARG 68 CO 0.00 -0.06 0.02 -0.35 -1.51 0.00 0.00 179.97 178.07 1cee n PRO 69 N -4.96 0.10 -0.05 0.20 -0.04 -1.26 -2.73 135.00 126.26 1cee n PRO 69 Ca -0.05 0.60 0.24 0.00 -0.04 0.00 0.00 63.50 64.25 1cee n PRO 69 Cb 0.18 -1.86 0.64 0.00 -0.04 0.00 0.00 33.50 32.42 1cee n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cee h LEU 70 N 0.00 0.00 -1.44 1.53 4.07 -1.84 1.24 115.31 118.88 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 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1cee h LEU 70 CO 0.00 0.00 -0.13 -0.24 -1.08 0.00 0.00 178.44 176.99 1cee n SER 71 N -3.57 2.37 -0.03 -0.43 2.88 -1.11 -4.39 113.62 109.35 1cee n SER 71 Ca 0.14 -1.72 -0.15 0.00 -1.33 0.00 0.00 58.87 55.81 1cee n SER 71 Cb 0.99 0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 64.46 1cee n SER 71 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1cee h TYR 72 N 3.51 0.27 -1.17 0.66 -1.99 0.14 -3.43 116.97 114.96 1cee h TYR 72 Ca 0.00 -0.15 -0.82 0.00 2.00 0.00 0.00 58.73 59.76 1cee h TYR 72 Cb 0.82 -0.03 0.02 0.00 2.00 0.00 0.00 36.73 39.54 1cee h TYR 72 CO 0.00 0.94 0.66 -2.30 -0.00 0.00 0.00 178.16 177.46 1cee n PRO 73 N -4.50 0.34 -3.49 4.88 -0.02 -1.24 -1.86 135.00 129.12 1cee n PRO 73 Ca -0.10 0.13 -0.23 0.00 -2.02 0.00 0.00 63.50 61.28 1cee n PRO 73 Cb 0.51 -1.68 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 1cee n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cee n GLN 74 N 3.99 -2.36 -3.57 -0.52 7.27 -1.26 -4.98 117.38 115.95 1cee n GLN 74 Ca 0.28 0.67 -0.36 0.00 0.07 0.00 0.00 57.00 57.66 1cee n GLN 74 Cb 0.02 -5.07 -0.07 0.00 2.41 0.00 0.00 30.24 27.53 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1cee s THR 75 N -3.46 5.32 0.00 1.69 2.01 -0.78 -4.93 115.64 115.49 1cee s THR 75 Ca 0.39 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1cee s THR 75 Cb -0.09 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1cee s THR 75 CO 0.80 0.40 0.53 -0.67 -0.69 0.00 0.00 174.62 174.99 1cee n ASP 76 N 3.53 0.00 -4.46 3.53 -0.08 -1.10 -4.90 116.55 113.08 1cee n ASP 76 Ca -0.13 0.76 -0.23 0.00 -1.51 0.00 0.00 54.79 53.68 1cee n ASP 76 Cb 0.52 -0.50 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1cee s VAL 77 N -2.05 2.34 -0.18 5.18 0.11 -1.25 -3.63 120.40 120.92 1cee s VAL 77 Ca 0.00 -2.36 0.01 0.00 -2.93 0.00 0.00 61.98 56.70 1cee s VAL 77 Cb 0.00 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.58 1cee s VAL 77 CO 0.00 -0.41 -0.16 -0.36 -3.33 0.00 0.00 175.10 170.84 1cee s PHE 78 N -2.60 2.63 -0.47 1.54 0.08 -1.01 -2.91 117.98 115.25 1cee s PHE 78 Ca 0.29 -1.61 -0.22 0.00 0.12 0.00 0.00 56.93 55.51 1cee s PHE 78 Cb -0.04 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1cee s PHE 78 CO 0.14 -0.77 0.76 -0.51 -0.10 0.00 0.00 175.22 174.74 1cee s LEU 79 N 1.33 4.35 -0.89 -0.37 1.02 -0.17 0.27 118.68 124.22 1cee s LEU 79 Ca 0.03 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 53.78 1cee s LEU 79 Cb -0.14 -2.85 0.23 0.00 0.02 0.00 0.00 46.19 43.44 1cee s LEU 79 CO -0.11 -0.93 0.85 -0.69 0.02 0.00 0.00 176.35 175.49 1cee s VAL 80 N 3.23 5.64 -0.43 -1.59 1.01 0.50 0.52 120.40 129.27 1cee s VAL 80 Ca 0.27 -2.60 -0.26 0.00 0.00 0.00 0.00 61.98 59.39 1cee s VAL 80 Cb -0.13 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1cee s VAL 80 CO 0.20 -1.09 0.95 0.00 0.00 0.00 0.00 175.10 175.17 1cee s PHE 82 N 3.75 1.63 0.11 0.00 -0.71 -0.70 -4.82 117.98 117.25 1cee s PHE 82 Ca 0.39 -0.44 -0.34 0.00 -1.04 0.00 0.00 56.93 55.50 1cee s PHE 82 Cb -0.10 -1.10 -0.14 0.00 -1.21 0.00 0.00 43.02 40.47 1cee s PHE 82 CO 0.24 -0.14 1.60 0.43 -1.34 0.00 0.00 175.22 176.02 1cee n SER 83 N 3.06 3.01 0.09 1.98 7.64 -1.26 -2.98 113.62 125.16 1cee n SER 83 Ca -0.17 1.07 -0.05 0.00 1.01 0.00 0.00 58.87 60.73 1cee n SER 83 Cb 0.53 -1.39 0.12 0.00 -1.01 0.00 0.00 64.21 62.46 1cee n SER 83 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cee h VAL 84 N 3.88 1.40 -0.67 0.44 2.07 -0.98 -3.12 116.25 119.28 1cee h VAL 84 Ca -0.46 -2.03 -0.43 0.00 0.82 0.00 0.00 66.70 64.59 1cee h VAL 84 Cb 1.26 2.05 -0.20 0.00 -1.52 0.00 0.00 31.29 32.88 1cee h VAL 84 CO 0.89 0.60 0.56 1.33 0.02 0.00 0.00 177.57 180.97 1cee n VAL 85 N -3.85 2.98 -3.45 2.57 0.24 -1.26 0.03 118.33 115.59 1cee n VAL 85 Ca -0.02 -1.97 -0.22 0.00 -2.04 0.00 0.00 64.34 60.09 1cee n VAL 85 Cb 0.63 -1.15 -0.11 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.56 2.35 0.25 -1.34 0.15 -1.18 -4.78 113.70 108.59 1cee s SER 86 Ca 0.42 -1.19 0.21 0.00 0.70 0.00 0.00 55.95 56.10 1cee s SER 86 Cb 0.34 0.14 0.98 0.00 -1.71 0.00 0.00 66.02 65.77 1cee s SER 86 CO 0.01 -0.38 1.64 -0.81 1.20 0.00 0.00 173.24 174.90 1cee n PRO 87 N 5.02 0.15 0.01 5.44 -0.04 -1.25 -2.60 135.00 141.73 1cee n PRO 87 Ca -0.00 0.50 -0.18 0.00 -0.04 0.00 0.00 63.50 63.77 1cee n PRO 87 Cb 0.44 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 1cee n PRO 87 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cee h SER 88 N 0.00 0.32 -0.42 3.54 0.02 -1.94 -2.80 113.55 112.27 1cee h SER 88 Ca 0.00 -0.95 -0.02 0.00 -0.84 0.00 0.00 61.79 59.98 1cee h SER 88 Cb 0.21 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1cee h SER 88 CO 0.00 1.29 0.20 -1.28 -1.14 0.00 0.00 176.83 175.90 1cee h SER 89 N -0.57 0.56 -0.52 3.07 0.87 -1.85 -1.44 113.55 113.67 1cee h SER 89 Ca -0.11 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.35 1cee h SER 89 Cb 1.45 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 1cee h SER 89 CO 0.09 0.54 0.35 0.15 -0.53 0.00 0.00 176.83 177.43 1cee h PHE 90 N 0.54 0.55 0.00 2.24 3.57 -1.62 1.43 116.94 123.65 1cee h PHE 90 Ca 0.14 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1cee h PHE 90 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1cee h PHE 90 CO -0.01 0.32 -0.45 1.49 -2.23 0.00 0.00 178.31 177.43 1cee h GLU 91 N 0.57 0.00 0.11 1.11 4.81 -1.12 -2.25 114.58 117.81 1cee h GLU 91 Ca 0.21 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.24 1cee h GLU 91 Cb 0.14 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1cee h GLU 91 CO -0.06 0.45 -0.96 -0.91 -0.73 0.00 0.00 179.01 176.80 1cee h ASN 92 N 0.00 0.37 -0.87 1.04 2.35 0.43 -3.14 115.58 115.76 1cee h ASN 92 Ca -0.00 -0.90 0.21 0.00 -0.55 0.00 0.00 56.30 55.06 1cee h ASN 92 Cb 0.88 -0.12 -0.12 0.00 0.05 0.00 0.00 38.32 39.01 1cee h ASN 92 CO 0.06 1.44 0.35 0.58 -1.65 0.00 0.00 177.43 178.20 1cee h VAL 93 N -0.44 0.47 0.00 2.81 2.07 0.19 1.91 116.25 123.25 1cee h VAL 93 Ca -0.19 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1cee h VAL 93 Cb 1.60 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1cee h VAL 93 CO 0.09 0.07 -0.37 0.07 0.02 0.00 0.00 177.57 177.44 1cee h LYS 94 N 0.37 0.00 -1.02 1.57 2.10 -1.51 -3.16 116.57 114.91 1cee h LYS 94 Ca 0.54 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.79 1cee h LYS 94 Cb 1.01 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.07 1cee h LYS 94 CO -0.53 0.37 -0.80 0.39 -2.00 0.00 0.00 179.45 176.88 1cee n GLU 95 N -3.55 0.74 0.00 0.07 -0.58 0.25 -4.84 120.64 112.72 1cee n GLU 95 Ca -0.00 -2.49 0.00 0.00 -0.42 0.00 0.00 57.16 54.25 1cee n GLU 95 Cb 0.50 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 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 1.55 0.00 0.11 3.49 3.00 0.58 -4.64 118.16 122.25 1cee n LYS 96 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.38 1cee n LYS 96 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.56 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1cee h TRP 97 N 0.00 -0.34 0.83 5.64 4.06 -1.54 -3.06 115.95 121.54 1cee h TRP 97 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 1cee h TRP 97 Cb 0.00 0.11 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1cee h TRP 97 CO 0.00 -0.09 -0.40 0.28 -3.56 0.00 0.00 178.44 174.66 1cee h VAL 98 N -1.04 0.17 -1.05 1.49 2.07 -1.80 -2.88 116.25 113.20 1cee h VAL 98 Ca -0.04 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.76 1cee h VAL 98 Cb 0.39 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1cee h VAL 98 CO 0.06 0.00 0.71 1.55 0.02 0.00 0.00 177.57 179.91 1cee h PRO 99 N -1.12 0.25 -0.23 1.57 0.13 -1.85 0.47 132.00 131.21 1cee h PRO 99 Ca -0.11 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1cee h PRO 99 Cb 0.86 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1cee h PRO 99 CO 0.18 0.16 0.08 0.93 -0.23 0.00 0.00 178.00 179.12 1cee h GLU 100 N 0.25 0.31 0.14 0.86 5.08 -1.39 -2.58 114.58 117.26 1cee h GLU 100 Ca 0.56 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.54 1cee h GLU 100 Cb 1.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1cee h GLU 100 CO -0.19 0.28 -1.83 0.82 -1.00 0.00 0.00 179.01 177.09 1cee h ILE 101 N 0.32 0.78 -0.30 3.13 2.04 -0.10 -3.35 117.51 120.03 1cee h ILE 101 Ca 0.08 -2.40 0.09 0.00 1.00 0.00 0.00 64.86 63.63 1cee h ILE 101 Cb 0.09 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1cee h ILE 101 CO -0.01 0.85 0.29 0.71 0.00 0.00 0.00 178.15 180.00 1cee h THR 102 N 0.02 0.53 0.00 -0.27 1.35 -0.94 0.72 112.91 114.32 1cee h THR 102 Ca -0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1cee h THR 102 Cb 2.01 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1cee h THR 102 CO 0.11 0.00 -0.12 -0.74 -0.25 0.00 0.00 175.52 174.52 1cee h HIS 103 N 0.00 0.00 0.00 4.73 6.17 -1.59 -2.88 115.15 121.58 1cee h HIS 103 Ca 0.14 0.00 -0.19 0.00 0.71 0.00 0.00 60.37 61.04 1cee h HIS 103 Cb 0.72 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.62 1cee h HIS 103 CO 0.00 0.12 -1.70 0.72 0.71 0.00 0.00 177.93 177.78 1cee n HIS 104 N -3.36 0.00 -3.24 5.26 -0.00 0.80 -4.91 115.22 109.77 1cee n HIS 104 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1cee n HIS 104 Cb 0.32 -0.47 -0.07 0.00 -0.00 0.00 0.00 29.99 29.76 1cee n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cee n PRO 106 N 2.99 0.67 -0.10 0.00 -0.04 -1.09 -3.34 135.00 134.09 1cee n PRO 106 Ca 0.25 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1cee n PRO 106 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.12 0.86 -1.70 0.54 -0.00 -1.26 -4.98 118.16 110.51 1cee n LYS 107 Ca 0.18 0.06 -0.42 0.00 -0.00 0.00 0.00 58.31 58.13 1cee n LYS 107 Cb 0.15 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 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 -2.89 2.25 -0.81 0.58 -2.24 -1.21 -4.94 114.28 105.02 1cee n THR 108 Ca -0.34 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 1cee n THR 108 Cb 1.00 -1.55 0.13 0.00 -2.10 0.00 0.00 70.33 67.81 1cee n THR 108 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cee n PRO 109 N 0.32 -0.28 -3.58 -0.78 -0.04 -1.24 -4.89 135.00 124.52 1cee n PRO 109 Ca 0.06 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1cee n PRO 109 Cb 0.38 -2.05 -0.14 0.00 -0.04 0.00 0.00 33.50 31.65 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 -2.42 1.00 -0.23 0.54 0.08 -1.26 -2.40 117.98 113.29 1cee s PHE 110 Ca 0.61 -1.57 -0.29 0.00 0.12 0.00 0.00 56.93 55.81 1cee s PHE 110 Cb -0.23 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1cee s PHE 110 CO 0.63 -0.83 1.47 -1.17 -0.10 0.00 0.00 175.22 175.22 1cee s LEU 111 N 1.35 3.94 -0.66 -0.37 1.98 0.14 -2.80 118.68 122.26 1cee s LEU 111 Ca 0.14 1.52 -0.22 0.00 -2.89 0.00 0.00 54.13 52.68 1cee s LEU 111 Cb -0.20 -3.54 0.08 0.00 0.66 0.00 0.00 46.19 43.19 1cee s LEU 111 CO -0.15 -1.13 0.94 -0.22 -1.89 0.00 0.00 176.35 173.91 1cee s LEU 112 N 4.67 4.54 -0.01 -0.68 2.96 -0.79 -0.37 118.68 129.00 1cee s LEU 112 Ca 0.64 -1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.26 1cee s LEU 112 Cb -0.22 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1cee s LEU 112 CO 0.26 -1.39 0.58 -0.69 -1.32 0.00 0.00 176.35 173.79 1cee s VAL 113 N 3.83 4.92 -0.29 1.68 1.01 -0.42 -0.36 120.40 130.77 1cee s VAL 113 Ca 0.21 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.43 1cee s VAL 113 Cb -0.17 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1cee s VAL 113 CO 0.09 0.43 -0.04 -0.83 0.00 0.00 0.00 175.10 174.74 1cee s GLY 114 N -0.22 1.75 0.49 4.51 0.00 0.26 -1.71 107.32 112.39 1cee s GLY 114 Ca 0.30 -1.98 0.07 0.00 0.00 0.00 0.00 44.72 43.11 1cee s GLY 114 CO 0.17 0.72 0.44 -1.59 0.00 0.00 0.00 173.10 172.84 1cee s THR 115 N 1.08 2.19 -0.39 0.90 2.01 -1.16 -0.31 115.64 119.95 1cee s THR 115 Ca -0.03 -1.36 -0.00 0.00 0.31 0.00 0.00 61.69 60.61 1cee s THR 115 Cb -0.20 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1cee s THR 115 CO -0.05 0.00 0.33 0.00 -0.69 0.00 0.00 174.62 174.21 1cee n GLN 116 N -1.73 -2.19 0.03 4.92 3.00 -1.26 -0.49 117.38 119.66 1cee n GLN 116 Ca 0.03 0.28 -0.11 0.00 -0.01 0.00 0.00 57.00 57.19 1cee n GLN 116 Cb 0.63 -3.60 -0.13 0.00 0.00 0.00 0.00 30.24 27.13 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1cee h ILE 117 N -0.63 1.18 -0.65 5.09 2.04 -1.86 -3.32 117.51 119.36 1cee h ILE 117 Ca -0.19 -2.92 0.19 0.00 1.00 0.00 0.00 64.86 62.93 1cee h ILE 117 Cb 1.11 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.82 1cee h ILE 117 CO 0.16 0.75 0.68 -2.24 0.00 0.00 0.00 178.15 177.50 1cee h ASP 118 N 0.02 0.00 0.17 1.72 3.04 -1.95 0.21 116.42 119.63 1cee h ASP 118 Ca -0.20 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.32 1cee h ASP 118 Cb 1.95 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 40.25 1cee h ASP 118 CO 0.12 0.00 -1.26 -0.07 -2.04 0.00 0.00 179.24 175.99 1cee h LEU 119 N 0.00 0.57 -1.97 0.15 -0.00 -1.93 -3.17 115.31 108.95 1cee h LEU 119 Ca 0.31 -0.92 0.18 0.00 -0.00 0.00 0.00 57.88 57.45 1cee h LEU 119 Cb 1.66 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 42.11 1cee h LEU 119 CO -0.00 1.59 0.47 -0.09 -0.00 0.00 0.00 178.44 180.40 1cee h ARG 120 N -0.16 0.03 -0.60 1.13 2.43 -0.74 0.61 114.38 117.07 1cee h ARG 120 Ca -0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1cee h ARG 120 Cb 1.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 1cee h ARG 120 CO 0.16 0.02 0.00 -3.47 -1.51 0.00 0.00 179.97 175.17 1cee n ASP 121 N -4.35 5.07 -4.03 -3.80 -0.08 -1.00 -4.73 116.55 103.62 1cee n ASP 121 Ca 0.13 -2.65 -0.33 0.00 -1.51 0.00 0.00 54.79 50.42 1cee n ASP 121 Cb 0.71 -0.61 -0.09 0.00 2.34 0.00 0.00 41.12 43.46 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cee s ASP 122 N -0.93 5.35 0.52 1.67 2.15 0.21 -4.94 116.67 120.70 1cee s ASP 122 Ca 0.52 -3.51 0.40 0.00 0.43 0.00 0.00 52.55 50.39 1cee s ASP 122 Cb 0.36 -1.80 1.59 0.00 -0.30 0.00 0.00 42.92 42.77 1cee s ASP 122 CO 0.21 -0.20 1.65 -0.65 -0.17 0.00 0.00 175.17 176.01 1cee h PRO 123 N 6.10 0.04 -0.29 4.34 0.11 -1.85 0.88 132.00 141.33 1cee h PRO 123 Ca 0.09 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.28 1cee h PRO 123 Cb 0.83 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1cee h PRO 123 CO 0.77 0.02 0.21 1.03 -0.21 0.00 0.00 178.00 179.82 1cee h SER 124 N 0.04 0.01 0.02 -2.05 0.87 -1.92 1.24 113.55 111.77 1cee h SER 124 Ca 0.80 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.99 1cee h SER 124 Cb 2.99 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 64.90 1cee h SER 124 CO -0.13 0.01 -2.08 0.35 -0.53 0.00 0.00 176.83 174.45 1cee n THR 125 N -4.45 1.57 -0.34 2.23 -2.24 0.30 -3.09 114.28 108.25 1cee n THR 125 Ca 0.04 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1cee n THR 125 Cb 0.36 -1.80 0.12 0.00 -2.10 0.00 0.00 70.33 66.91 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 -0.58 1.16 -0.01 2.28 2.04 -1.09 0.49 117.51 121.80 1cee h ILE 126 Ca -0.53 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 64.79 1cee h ILE 126 Cb 1.68 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1cee h ILE 126 CO -0.20 0.21 -0.69 -0.33 0.00 0.00 0.00 178.15 177.15 1cee h GLU 127 N 1.16 0.04 -0.06 2.37 5.08 0.14 1.08 114.58 124.39 1cee h GLU 127 Ca 0.36 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1cee h GLU 127 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1cee h GLU 127 CO -0.11 0.71 -0.62 -0.22 -1.00 0.00 0.00 179.01 177.77 1cee h LYS 128 N 0.03 0.23 0.01 2.33 1.63 -1.13 -3.15 116.57 116.51 1cee h LYS 128 Ca -0.01 -0.16 -0.29 0.00 -0.85 0.00 0.00 60.65 59.34 1cee h LYS 128 Cb 1.22 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.82 1cee h LYS 128 CO 0.09 0.77 -1.69 1.37 -3.45 0.00 0.00 179.45 176.54 1cee h LEU 129 N 0.17 0.02 -1.59 5.20 8.10 0.08 -3.23 115.31 124.05 1cee h LEU 129 Ca -0.01 -0.04 0.08 0.00 0.11 0.00 0.00 57.88 58.02 1cee h LEU 129 Cb 1.12 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 1cee h LEU 129 CO 0.09 1.04 0.58 0.00 -4.11 0.00 0.00 178.44 176.04 1cee h ALA 130 N 0.96 1.92 0.00 0.17 0.00 0.13 0.87 119.26 123.31 1cee h ALA 130 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cee h ALA 130 Cb 2.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1cee h ALA 130 CO 0.08 -0.73 -1.40 1.17 0.00 0.00 0.00 179.25 178.38 1cee n LYS 131 N -3.17 0.93 0.05 0.00 4.81 -1.23 -4.44 118.16 115.12 1cee n LYS 131 Ca 0.05 -0.10 0.11 0.00 -0.87 0.00 0.00 58.31 57.51 1cee n LYS 131 Cb 0.70 -1.29 0.02 0.00 0.02 0.00 0.00 35.03 34.49 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1cee n ASN 132 N -1.83 0.65 0.00 3.14 3.02 0.21 -4.98 115.26 115.47 1cee n ASN 132 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1cee n ASN 132 Cb 0.33 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 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 -2.26 0.00 -3.43 3.52 4.01 0.24 -5.05 118.16 115.20 1cee n LYS 133 Ca 0.01 0.07 -0.21 0.00 -0.51 0.00 0.00 58.31 57.67 1cee n LYS 133 Cb 0.49 -0.80 -0.00 0.00 -0.51 0.00 0.00 35.03 34.20 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1cee s GLN 134 N -0.82 3.23 -0.00 1.97 -0.21 -1.03 -5.03 119.66 117.76 1cee s GLN 134 Ca 0.00 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.41 1cee s GLN 134 Cb 0.00 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.33 1cee s GLN 134 CO 0.00 0.06 0.58 -1.59 -2.12 0.00 0.00 175.29 172.23 1cee s LYS 135 N -4.26 1.02 0.35 2.91 0.00 -1.26 -4.35 119.74 114.15 1cee s LYS 135 Ca 0.43 0.01 -0.11 0.00 0.00 0.00 0.00 55.97 56.30 1cee s LYS 135 Cb -0.10 0.47 -0.07 0.00 0.00 0.00 0.00 37.83 38.14 1cee s LYS 135 CO 0.33 -0.34 0.71 -1.25 0.00 0.00 0.00 175.35 174.80 1cee s PRO 136 N -1.74 3.82 -0.10 1.78 0.04 -1.26 -3.75 135.00 133.79 1cee s PRO 136 Ca -0.09 0.45 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 1cee s PRO 136 Cb -0.01 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1cee s PRO 136 CO 0.04 0.08 0.50 0.42 0.04 0.00 0.00 177.00 178.08 1cee s ILE 137 N -2.18 5.14 0.49 0.56 -1.09 0.10 -4.98 121.20 119.25 1cee s ILE 137 Ca 0.51 1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 59.89 1cee s ILE 137 Cb -0.10 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1cee s ILE 137 CO 0.26 0.35 0.77 0.42 -1.23 0.00 0.00 174.94 175.52 1cee s THR 138 N 0.43 4.48 0.43 2.92 -4.23 -1.26 -4.93 115.64 113.49 1cee s THR 138 Ca 0.27 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.86 1cee s THR 138 Cb -0.16 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.27 1cee s THR 138 CO 0.12 -0.65 2.05 -0.65 -0.54 0.00 0.00 174.62 174.95 1cee h PRO 139 N 0.20 0.43 0.03 3.99 0.11 -1.99 -1.87 132.00 132.90 1cee h PRO 139 Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1cee h PRO 139 Cb 1.23 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1cee h PRO 139 CO 0.61 0.28 -0.35 0.93 -0.21 0.00 0.00 178.00 179.26 1cee h GLU 140 N 0.44 0.19 0.14 1.05 5.08 -1.98 -2.44 114.58 117.06 1cee h GLU 140 Ca 0.17 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1cee h GLU 140 Cb 0.13 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1cee h GLU 140 CO -0.04 1.01 -0.32 1.15 -1.00 0.00 0.00 179.01 179.81 1cee h THR 141 N -0.51 0.32 -0.55 1.13 2.02 -1.88 -0.73 112.91 112.70 1cee h THR 141 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1cee h THR 141 Cb 1.16 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1cee h THR 141 CO 0.07 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.31 1cee h ALA 142 N 0.08 0.70 -0.42 6.16 0.00 -1.48 -2.70 119.26 121.61 1cee h ALA 142 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1cee h ALA 142 Cb 0.58 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1cee h ALA 142 CO -0.18 0.11 -0.15 1.49 0.00 0.00 0.00 179.25 180.52 1cee h GLU 143 N 0.72 -0.06 -0.96 0.00 4.22 -0.98 -0.22 114.58 117.30 1cee h GLU 143 Ca 0.21 0.00 0.30 0.00 0.08 0.00 0.00 59.36 59.96 1cee h GLU 143 Cb -0.05 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.05 1cee h GLU 143 CO -0.06 -0.04 0.28 -0.22 -2.18 0.00 0.00 179.01 176.79 1cee h LYS 144 N -0.07 0.10 -0.04 1.92 3.64 -0.80 0.54 116.57 121.87 1cee h LYS 144 Ca 0.20 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1cee h LYS 144 Cb 0.38 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1cee h LYS 144 CO -0.47 0.07 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.48 1cee h LEU 145 N 0.10 0.26 -1.89 5.20 3.38 -1.20 -0.87 115.31 120.29 1cee h LEU 145 Ca 0.66 -0.68 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1cee h LEU 145 Cb 1.50 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1cee h LEU 145 CO -0.77 0.90 0.50 0.00 0.09 0.00 0.00 178.44 179.16 1cee h ALA 146 N 0.37 2.11 0.03 1.53 0.00 0.15 1.32 119.26 124.76 1cee h ALA 146 Ca -0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1cee h ALA 146 Cb 0.90 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1cee h ALA 146 CO 0.05 -0.72 -2.14 2.89 0.00 0.00 0.00 179.25 179.33 1cee n ARG 147 N -3.58 0.68 0.17 0.00 -4.01 0.91 0.14 116.66 110.97 1cee n ARG 147 Ca 0.08 0.17 0.06 0.00 -1.04 0.00 0.00 57.85 57.12 1cee n ARG 147 Cb 0.67 -1.64 0.16 0.00 -3.04 0.00 0.00 32.46 28.62 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1cee h ASP 148 N 0.02 0.00 -0.62 2.89 3.58 0.59 -3.10 116.42 119.78 1cee h ASP 148 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1cee h ASP 148 Cb 2.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.10 1cee h ASP 148 CO 0.03 0.37 0.00 0.18 -2.88 0.00 0.00 179.24 176.94 1cee n LEU 149 N -3.27 4.78 -1.35 2.28 4.77 0.43 -4.91 117.00 119.74 1cee n LEU 149 Ca 0.02 -2.41 -0.18 0.00 -0.03 0.00 0.00 56.01 53.41 1cee n LEU 149 Cb 0.62 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1cee n LEU 149 CO 0.38 0.76 -0.17 0.29 -1.33 0.00 0.00 177.39 177.32 1cee n LYS 150 N 1.03 -1.27 -2.11 3.23 4.01 -1.17 -4.94 118.16 116.95 1cee n LYS 150 Ca 0.25 1.12 -0.41 0.00 -0.51 0.00 0.00 58.31 58.76 1cee n LYS 150 Cb 0.91 -5.38 -0.02 0.00 -0.51 0.00 0.00 35.03 30.03 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 -2.63 3.55 0.40 7.82 0.00 0.38 -4.44 121.76 126.83 1cee s ALA 151 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1cee s ALA 151 Cb 0.00 -3.50 0.85 0.00 0.00 0.00 0.00 23.12 20.46 1cee s ALA 151 CO 0.00 -0.64 2.03 -0.39 0.00 0.00 0.00 175.76 176.76 1cee h VAL 152 N 3.39 1.07 0.00 0.00 -1.51 -1.71 -3.40 116.25 114.09 1cee h VAL 152 Ca -0.47 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1cee h VAL 152 Cb 1.22 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1cee h VAL 152 CO 0.73 0.11 0.00 0.29 -1.23 0.00 0.00 177.57 177.46 1cee n LYS 153 N -4.47 0.00 -3.83 5.19 5.02 -1.26 -5.07 118.16 113.74 1cee n LYS 153 Ca 0.05 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 1cee n LYS 153 Cb 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.01 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 3.16 0.02 2.13 5.04 -1.26 -1.88 117.35 122.56 1cee s TYR 154 Ca 0.00 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1cee s TYR 154 Cb 0.00 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 1cee s TYR 154 CO 0.00 -0.15 -0.10 0.14 -1.34 0.00 0.00 175.55 174.10 1cee s VAL 155 N 1.20 0.80 0.25 3.14 -7.23 0.52 -5.00 120.40 114.09 1cee s VAL 155 Ca 0.05 -0.75 0.08 0.00 -1.81 0.00 0.00 61.98 59.55 1cee s VAL 155 Cb -0.14 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1cee s VAL 155 CO 0.04 -0.00 0.15 -0.70 -0.31 0.00 0.00 175.10 174.27 1cee s GLU 156 N -0.84 2.78 -0.17 4.82 2.12 -1.26 0.89 118.70 127.04 1cee s GLU 156 Ca -0.00 -1.13 -0.28 0.00 0.36 0.00 0.00 54.97 53.92 1cee s GLU 156 Cb -0.06 -2.48 0.10 0.00 0.26 0.00 0.00 34.13 31.95 1cee s GLU 156 CO 0.00 0.40 0.86 0.00 -0.54 0.00 0.00 175.26 175.98 1cee s SER 158 N -0.58 1.04 0.00 0.00 0.15 -1.25 -4.09 113.70 108.97 1cee s SER 158 Ca -0.03 -0.82 0.21 0.00 0.70 0.00 0.00 55.95 56.02 1cee s SER 158 Cb -0.02 0.07 -0.25 0.00 -1.71 0.00 0.00 66.02 64.11 1cee s SER 158 CO 0.02 -0.35 0.56 0.00 1.20 0.00 0.00 173.24 174.68 1cee n ALA 159 N 0.59 2.54 -0.09 5.45 0.00 -1.26 -2.28 120.51 125.45 1cee n ALA 159 Ca -0.17 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1cee n ALA 159 Cb 0.58 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 1cee n ALA 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cee n LEU 160 N -2.44 0.63 -0.02 0.00 7.94 -1.26 -4.41 117.00 117.45 1cee n LEU 160 Ca -0.07 0.04 0.08 0.00 -1.11 0.00 0.00 56.01 54.95 1cee n LEU 160 Cb 0.65 0.20 -0.10 0.00 0.53 0.00 0.00 43.42 44.71 1cee n LEU 160 CO 0.44 0.56 -0.03 0.41 -1.11 0.00 0.00 177.39 177.67 1cee n THR 161 N -2.89 0.00 -2.38 1.96 -1.04 -1.26 -4.97 114.28 103.71 1cee n THR 161 Ca -0.33 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.05 61.53 1cee n THR 161 Cb 1.12 1.01 -0.00 0.00 -1.82 0.00 0.00 70.33 70.63 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 -1.36 -2.50 -1.92 -2.82 10.64 -0.97 -4.78 117.38 113.67 1cee n GLN 162 Ca 0.04 0.31 -0.28 0.00 -1.83 0.00 0.00 57.00 55.24 1cee n GLN 162 Cb 0.28 -4.83 -0.05 0.00 -0.86 0.00 0.00 30.24 24.78 1cee n GLN 162 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1cee s LYS 163 N -4.83 2.36 -1.08 2.61 2.36 -1.26 -2.56 119.74 117.34 1cee s LYS 163 Ca 0.00 0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.61 1cee s LYS 163 Cb 0.00 -4.82 0.00 0.00 -1.05 0.00 0.00 37.83 31.96 1cee s LYS 163 CO 0.00 -3.42 0.00 0.41 1.55 0.00 0.00 175.35 173.89 1cee n GLY 164 N 6.52 1.16 0.35 5.54 0.00 -1.26 -3.46 105.19 114.04 1cee n GLY 164 Ca 0.37 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.03 0.16 0.99 5.85 -1.71 -0.76 115.31 118.80 1cee h LEU 165 Ca -0.21 0.29 -0.32 0.00 0.84 0.00 0.00 57.88 58.48 1cee h LEU 165 Cb 0.69 0.63 0.01 0.00 0.37 0.00 0.00 40.66 42.35 1cee h LEU 165 CO 0.31 -0.31 -1.53 0.11 -0.34 0.00 0.00 178.44 176.69 1cee h LYS 166 N -0.01 0.34 -1.32 1.25 1.57 -1.91 -3.33 116.57 113.17 1cee h LYS 166 Ca 0.42 -0.59 0.38 0.00 -1.87 0.00 0.00 60.65 58.99 1cee h LYS 166 Cb 0.66 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1cee h LYS 166 CO -0.96 1.24 0.94 -0.97 -0.57 0.00 0.00 179.45 179.13 1cee h ASN 167 N 0.09 0.04 0.34 0.86 -0.73 -1.52 -0.62 115.58 114.05 1cee h ASN 167 Ca -0.25 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 1cee h ASN 167 Cb 2.06 0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.66 1cee h ASN 167 CO 0.20 -0.00 -0.17 0.58 -0.37 0.00 0.00 177.43 177.67 1cee h VAL 168 N 0.03 0.00 -0.51 2.57 2.07 -1.53 -2.01 116.25 116.87 1cee h VAL 168 Ca 0.64 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.79 1cee h VAL 168 Cb 2.49 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1cee h VAL 168 CO -0.04 0.00 0.56 -0.26 0.02 0.00 0.00 177.57 177.85 1cee h PHE 169 N -0.97 0.00 -0.02 1.57 0.04 -1.44 0.51 116.94 116.63 1cee h PHE 169 Ca -0.05 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.46 1cee h PHE 169 Cb 0.35 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.52 1cee h PHE 169 CO 0.01 0.00 -1.00 -0.44 -0.60 0.00 0.00 178.31 176.28 1cee h ASP 170 N 0.00 0.91 -0.30 2.17 5.19 -1.12 -3.06 116.42 120.21 1cee h ASP 170 Ca 0.24 -0.71 -0.08 0.00 -0.62 0.00 0.00 57.03 55.87 1cee h ASP 170 Cb 1.35 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1cee h ASP 170 CO -0.00 1.51 -0.11 -0.33 -3.12 0.00 0.00 179.24 177.19 1cee h GLU 171 N 0.41 0.60 0.19 3.56 5.08 0.72 -1.77 114.58 123.39 1cee h GLU 171 Ca -0.12 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1cee h GLU 171 Cb 1.65 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1cee h GLU 171 CO 0.20 0.81 -0.46 0.00 -1.00 0.00 0.00 179.01 178.56 1cee h ALA 172 N 0.77 -0.99 -0.03 3.43 0.00 -1.14 0.76 119.26 122.06 1cee h ALA 172 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1cee h ALA 172 Cb 0.61 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1cee h ALA 172 CO 0.04 -1.08 -0.36 0.82 0.00 0.00 0.00 179.25 178.67 1cee h ILE 173 N -0.72 0.24 -1.06 0.00 2.04 -1.59 1.28 117.51 117.69 1cee h ILE 173 Ca -0.02 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.13 1cee h ILE 173 Cb 0.69 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1cee h ILE 173 CO -0.20 0.00 0.73 0.25 0.00 0.00 0.00 178.15 178.93 1cee h LEU 174 N -0.50 0.21 0.16 1.44 5.85 -0.96 0.24 115.31 121.75 1cee h LEU 174 Ca 0.06 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.55 1cee h LEU 174 Cb 0.59 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1cee h LEU 174 CO -0.31 0.04 -1.28 0.00 -0.34 0.00 0.00 178.44 176.56 1cee h ALA 175 N 1.53 0.03 0.12 1.25 0.00 0.36 -3.37 119.26 119.18 1cee h ALA 175 Ca 0.55 -0.94 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1cee h ALA 175 Cb 1.81 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1cee h ALA 175 CO -0.14 0.69 -0.21 0.00 0.00 0.00 0.00 179.25 179.59 1cee h ALA 176 N 0.04 -0.35 -3.00 0.00 0.00 0.33 -3.43 119.26 112.85 1cee h ALA 176 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cee h ALA 176 Cb 1.83 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1cee h ALA 176 CO 0.14 -0.74 0.00 1.28 0.00 0.00 0.00 179.25 179.93 1cee n LEU 177 N -5.33 0.00 -3.62 0.00 4.77 -0.15 -4.81 117.00 107.86 1cee n LEU 177 Ca -0.07 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 1cee n LEU 177 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1cee n LEU 177 CO 0.27 -0.50 1.12 -1.83 -1.33 0.00 0.00 177.39 175.12 1cee s GLU 178 N -0.13 0.15 0.00 3.23 -1.05 -1.26 -5.01 118.70 114.62 1cee s GLU 178 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 1cee s GLU 178 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1cee s GLU 178 CO 0.00 -0.06 0.11 -0.35 0.95 0.00 0.00 175.26 175.90