#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brn n GLN 6 N 0.00 2.17 -2.94 0.00 6.02 -1.26 -5.00 117.38 116.36 3brn n GLN 6 Ca 0.00 0.77 -0.31 0.00 -0.01 0.00 0.00 57.00 57.45 3brn n GLN 6 Cb 0.00 -2.59 -0.04 0.00 1.02 0.00 0.00 30.24 28.63 3brn n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3brn s ASP 8 N -2.85 5.04 -0.06 0.00 -1.08 -1.26 -4.94 116.67 111.52 3brn s ASP 8 Ca 0.52 -2.15 0.15 0.00 -0.52 0.00 0.00 52.55 50.55 3brn s ASP 8 Cb -0.10 -1.75 0.55 0.00 -1.46 0.00 0.00 42.92 40.16 3brn s ASP 8 CO 0.26 -0.46 1.44 0.49 0.52 0.00 0.00 175.17 177.42 3brn n PHE 9 N 4.36 1.06 -2.98 -5.34 3.72 -1.26 -4.80 117.46 112.22 3brn n PHE 9 Ca 0.01 -0.44 -0.40 0.00 -0.05 0.00 0.00 57.45 56.57 3brn n PHE 9 Cb 0.41 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.75 3brn n PHE 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3brn s GLY 10 N -0.86 2.85 0.00 1.37 0.00 -1.26 -5.04 107.32 104.38 3brn s GLY 10 Ca 0.40 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3brn s GLY 10 CO 0.21 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.92 3brn n GLY 11 N 2.04 1.27 3.76 0.20 0.00 -1.26 -4.91 105.19 106.29 3brn n GLY 11 Ca -0.04 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3brn n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3brn s PRO 12 N 3.65 0.56 -0.13 1.61 0.04 -1.26 -5.15 135.00 134.31 3brn s PRO 12 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.19 3brn s PRO 12 Cb 0.00 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3brn s PRO 12 CO 0.00 -2.56 -0.14 -0.06 0.04 0.00 0.00 177.00 174.28 3brn s PHE 13 N -3.29 2.79 -0.37 0.56 0.08 -1.26 -5.10 117.98 111.39 3brn s PHE 13 Ca 0.67 -0.74 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 3brn s PHE 13 Cb -0.13 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 3brn s PHE 13 CO 0.54 -0.27 0.26 -0.65 -0.10 0.00 0.00 175.22 175.00 3brn s GLN 14 N 0.43 3.25 0.24 0.44 -0.21 -1.26 -3.47 119.66 119.08 3brn s GLN 14 Ca -0.11 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.40 3brn s GLN 14 Cb -0.16 -3.88 0.43 0.00 1.00 0.00 0.00 33.01 30.40 3brn s GLN 14 CO 0.05 -0.58 1.70 0.00 -2.12 0.00 0.00 175.29 174.34 3brn h ALA 15 N 8.55 0.94 -0.74 6.09 0.00 -1.46 -1.66 119.26 130.98 3brn h ALA 15 Ca -0.29 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3brn h ALA 15 Cb 1.14 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3brn h ALA 15 CO 0.68 -0.29 0.45 0.10 0.00 0.00 0.00 179.25 180.18 3brn h TYR 16 N 0.32 0.96 -0.43 0.00 -0.00 -1.89 0.35 116.97 116.27 3brn h TYR 16 Ca 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 59.01 3brn h TYR 16 Cb 0.63 -0.32 -0.01 0.00 -0.00 0.00 0.00 36.73 37.03 3brn h TYR 16 CO -0.23 0.63 -0.22 0.87 -0.00 0.00 0.00 178.16 179.22 3brn h LYS 17 N 1.01 0.88 -0.08 0.10 1.57 -1.74 -0.71 116.57 117.61 3brn h LYS 17 Ca 0.27 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3brn h LYS 17 Cb -0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3brn h LYS 17 CO -0.05 1.01 0.04 1.03 -0.57 0.00 0.00 179.45 180.90 3brn h SER 18 N 0.76 0.10 -0.10 0.86 0.87 -0.86 -0.94 113.55 114.24 3brn h SER 18 Ca 0.10 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 3brn h SER 18 Cb 0.76 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3brn h SER 18 CO 0.06 0.19 -0.24 0.58 -0.53 0.00 0.00 176.83 176.89 3brn h VAL 19 N 0.00 1.27 -0.18 2.23 2.07 -0.80 -2.79 116.25 118.05 3brn h VAL 19 Ca 0.03 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.09 3brn h VAL 19 Cb 0.12 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3brn h VAL 19 CO -0.00 0.41 -0.60 0.78 0.02 0.00 0.00 177.57 178.17 3brn h ASN 20 N 0.47 0.67 0.00 0.57 2.35 -1.16 -3.40 115.58 115.08 3brn h ASN 20 Ca 0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3brn h ASN 20 Cb 0.68 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3brn h ASN 20 CO 0.05 1.11 0.00 0.61 -1.65 0.00 0.00 177.43 177.55 3brn n GLY 21 N 0.36 2.90 0.00 2.83 0.00 -0.36 -2.00 105.19 108.92 3brn n GLY 21 Ca -0.04 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.71 3brn n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3brn n PRO 22 N 14.00 0.01 -0.33 1.61 -0.04 -1.20 -4.69 135.00 144.36 3brn n PRO 22 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3brn n PRO 22 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3brn n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3brn n GLY 23 N -0.00 0.80 3.66 0.55 0.00 -0.85 -5.06 105.19 104.28 3brn n GLY 23 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 3brn n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brn s ASN 24 N -2.32 -0.25 0.86 1.61 2.20 -1.26 -5.14 114.94 110.64 3brn s ASN 24 Ca 0.00 -0.26 0.00 0.00 -0.94 0.00 0.00 52.86 51.66 3brn s ASN 24 Cb 0.00 0.45 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 3brn s ASN 24 CO 0.00 -0.80 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 3brn n GLY 25 N -0.39 2.19 2.15 0.45 0.00 -1.26 -4.79 105.19 103.54 3brn n GLY 25 Ca -0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 3brn n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brn n GLY 26 N 0.00 0.94 3.06 -0.02 0.00 -1.26 -2.05 105.19 105.86 3brn n GLY 26 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 3brn n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3brn s TYR 27 N -3.91 1.59 0.21 1.61 2.02 -0.17 -0.14 117.35 118.57 3brn s TYR 27 Ca 0.13 -0.56 -0.13 0.00 -0.37 0.00 0.00 57.07 56.14 3brn s TYR 27 Cb -0.02 -1.13 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 3brn s TYR 27 CO 0.03 -0.26 0.59 0.71 -1.57 0.00 0.00 175.55 175.05 3brn s TYR 28 N 0.48 3.49 -0.60 2.71 1.51 0.32 -1.26 117.35 124.00 3brn s TYR 28 Ca -0.12 1.01 -0.27 0.00 -1.01 0.00 0.00 57.07 56.68 3brn s TYR 28 Cb -0.15 -2.36 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 3brn s TYR 28 CO 0.04 0.30 1.14 -1.17 -1.11 0.00 0.00 175.55 174.75 3brn s LEU 29 N -2.51 3.60 -0.13 -1.29 2.96 -0.11 -1.10 118.68 120.09 3brn s LEU 29 Ca 0.45 -0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 53.96 3brn s LEU 29 Cb -0.13 -2.96 -0.26 0.00 0.50 0.00 0.00 46.19 43.34 3brn s LEU 29 CO 0.20 -1.48 0.72 -0.09 -1.32 0.00 0.00 176.35 174.38 3brn h ARG 30 N 9.57 0.05 -4.09 1.98 9.65 -1.06 -3.14 114.38 127.34 3brn h ARG 30 Ca -0.26 -0.08 -0.18 0.00 -1.10 0.00 0.00 59.98 58.36 3brn h ARG 30 Cb 1.06 0.03 -0.20 0.00 -1.39 0.00 0.00 29.97 29.47 3brn h ARG 30 CO 1.18 1.04 -0.70 0.15 2.80 0.00 0.00 179.97 184.44 3brn s LYS 31 N -2.27 0.37 0.02 0.20 1.02 -1.06 -1.80 119.74 116.22 3brn s LYS 31 Ca -0.19 -0.70 -0.14 0.00 0.02 0.00 0.00 55.97 54.96 3brn s LYS 31 Cb -0.01 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 3brn s LYS 31 CO 0.70 -0.04 0.30 -0.08 -0.92 0.00 0.00 175.35 175.30 3brn s THR 32 N -1.74 0.07 -2.37 2.17 -1.32 -0.33 -0.38 115.64 111.74 3brn s THR 32 Ca -0.12 -0.60 0.28 0.00 -1.21 0.00 0.00 61.69 60.04 3brn s THR 32 Cb -0.08 -0.78 0.58 0.00 -1.51 0.00 0.00 72.50 70.71 3brn s THR 32 CO -0.02 -0.33 1.81 0.35 -2.21 0.00 0.00 174.62 174.22 3brn n THR 33 N 0.91 0.00 -3.43 5.08 -2.24 -0.55 0.08 114.28 114.13 3brn n THR 33 Ca -0.20 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 3brn n THR 33 Cb 0.58 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.08 3brn n THR 33 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3brn s LYS 34 N -2.04 4.22 0.51 -0.78 2.20 -1.26 -4.89 119.74 117.71 3brn s LYS 34 Ca 0.38 0.19 -0.14 0.00 -0.36 0.00 0.00 55.97 56.05 3brn s LYS 34 Cb 0.21 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3brn s LYS 34 CO 0.35 0.08 0.94 -1.25 -0.36 0.00 0.00 175.35 175.12 3brn s PRO 35 N 0.93 3.82 0.00 4.03 0.04 -1.26 -4.34 135.00 138.22 3brn s PRO 35 Ca 0.19 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3brn s PRO 35 Cb -0.14 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3brn s PRO 35 CO 0.07 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3brn n GLY 36 N -1.80 0.58 3.78 0.56 0.00 -1.26 -5.04 105.19 102.00 3brn n GLY 36 Ca 0.05 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3brn n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3brn s THR 37 N -2.00 4.13 0.29 2.61 -4.23 -1.26 -4.98 115.64 110.20 3brn s THR 37 Ca 0.00 1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 62.03 3brn s THR 37 Cb 0.00 -4.03 -0.12 0.00 1.34 0.00 0.00 72.50 69.69 3brn s THR 37 CO 0.00 0.19 1.46 -2.65 -0.54 0.00 0.00 174.62 173.08 3brn n PRO 38 N 0.66 2.36 -1.71 3.99 -0.02 -1.26 -4.93 135.00 134.10 3brn n PRO 38 Ca 0.02 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 3brn n PRO 38 Cb 0.49 -2.53 0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3brn n PRO 38 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3brn n GLU 39 N 1.61 1.94 -2.48 -0.52 0.28 -1.26 -3.20 120.64 117.02 3brn n GLU 39 Ca 0.08 0.69 -0.20 0.00 -0.16 0.00 0.00 57.16 57.57 3brn n GLU 39 Cb 0.35 -2.41 -0.00 0.00 1.43 0.00 0.00 31.44 30.81 3brn n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3brn s ALA 41 N -3.00 3.59 0.14 0.00 0.00 -1.19 -4.04 121.76 117.25 3brn s ALA 41 Ca 0.05 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 3brn s ALA 41 Cb -0.02 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3brn s ALA 41 CO 0.06 -0.79 0.41 1.52 0.00 0.00 0.00 175.76 176.97 3brn s TYR 42 N -0.54 -0.15 0.13 0.00 1.13 -0.66 -0.94 117.35 116.33 3brn s TYR 42 Ca 0.55 -0.18 0.08 0.00 -1.41 0.00 0.00 57.07 56.12 3brn s TYR 42 Cb -0.43 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 3brn s TYR 42 CO 0.50 -0.73 -0.20 0.14 -2.51 0.00 0.00 175.55 172.75 3brn s VAL 43 N -3.83 1.75 -0.05 -3.49 -7.23 -0.39 -1.64 120.40 105.53 3brn s VAL 43 Ca 0.05 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 3brn s VAL 43 Cb 0.02 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3brn s VAL 43 CO -0.10 -0.16 0.13 -0.76 -0.31 0.00 0.00 175.10 173.90 3brn s LEU 44 N -2.20 4.18 0.40 1.32 1.43 0.15 -1.00 118.68 122.96 3brn s LEU 44 Ca 0.10 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 3brn s LEU 44 Cb -0.08 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.73 3brn s LEU 44 CO 0.05 0.32 1.45 0.68 0.23 0.00 0.00 176.35 179.08 3brn s VAL 45 N -1.17 2.12 0.80 -1.59 -7.23 -0.87 -4.31 120.40 108.14 3brn s VAL 45 Ca 0.21 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.36 3brn s VAL 45 Cb -0.12 -3.07 0.06 0.00 0.56 0.00 0.00 36.38 33.80 3brn s VAL 45 CO 0.12 0.02 1.05 -2.65 -0.31 0.00 0.00 175.10 173.33 3brn n PRO 46 N 0.27 0.22 0.25 4.82 -0.02 -1.26 -4.85 135.00 134.43 3brn n PRO 46 Ca 0.02 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3brn n PRO 46 Cb 0.40 -2.31 0.62 0.00 -0.02 0.00 0.00 33.50 32.19 3brn n PRO 46 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3brn h GLN 47 N -0.79 0.00 -6.05 -0.52 4.15 -1.92 -3.43 115.11 106.56 3brn h GLN 47 Ca -0.46 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.40 3brn h GLN 47 Cb 1.31 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.76 3brn h GLN 47 CO 0.45 0.16 -0.83 0.54 -1.93 0.00 0.00 178.83 177.22 3brn s ASN 48 N -6.10 2.43 0.16 -0.69 4.22 -1.26 -5.10 114.94 108.59 3brn s ASN 48 Ca -0.01 -0.60 -0.32 0.00 -2.14 0.00 0.00 52.86 49.79 3brn s ASN 48 Cb 0.11 -0.16 -0.12 0.00 1.28 0.00 0.00 41.25 42.36 3brn s ASN 48 CO 0.60 0.10 1.74 0.41 -2.04 0.00 0.00 177.10 177.91 3brn n THR 49 N 1.47 0.15 -3.14 0.54 -1.04 -1.26 -4.99 114.28 106.02 3brn n THR 49 Ca -0.18 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.05 61.42 3brn n THR 49 Cb 0.54 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 67.05 3brn n THR 49 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3brn s LEU 50 N 1.79 4.46 0.46 -4.42 1.43 -1.26 -5.10 118.68 116.03 3brn s LEU 50 Ca 0.79 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 3brn s LEU 50 Cb -0.54 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3brn s LEU 50 CO 0.36 0.15 0.01 -0.94 0.23 0.00 0.00 176.35 176.16 3brn s SER 51 N -1.38 3.90 0.29 2.29 1.04 -1.26 -4.85 113.70 113.73 3brn s SER 51 Ca 0.37 -1.52 -0.30 0.00 0.48 0.00 0.00 55.95 54.98 3brn s SER 51 Cb -0.19 0.10 -0.12 0.00 0.10 0.00 0.00 66.02 65.91 3brn s SER 51 CO 0.22 -0.67 1.47 1.21 0.98 0.00 0.00 173.24 176.45 3brn n GLU 52 N -1.10 2.38 -0.78 4.02 4.07 -1.26 -2.90 120.64 125.07 3brn n GLU 52 Ca -0.12 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 57.82 3brn n GLU 52 Cb 0.67 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 3brn n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3brn n GLY 53 N 1.78 1.41 3.89 8.31 0.00 0.67 -5.03 105.19 116.22 3brn n GLY 53 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3brn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3brn s GLN 54 N -0.01 3.69 0.12 1.61 -0.21 -1.14 -4.70 119.66 119.01 3brn s GLN 54 Ca 0.00 0.36 0.07 0.00 0.02 0.00 0.00 55.36 55.81 3brn s GLN 54 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 3brn s GLN 54 CO 0.00 -0.09 -0.08 -1.12 -2.12 0.00 0.00 175.29 171.88 3brn s SER 55 N -3.49 4.48 0.13 5.90 0.01 -1.26 -1.88 113.70 117.60 3brn s SER 55 Ca 0.50 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.13 3brn s SER 55 Cb -0.10 -0.88 0.07 0.00 0.21 0.00 0.00 66.02 65.32 3brn s SER 55 CO 0.36 0.16 0.71 0.28 0.41 0.00 0.00 173.24 175.16 3brn s THR 56 N -1.31 0.00 0.42 1.44 -1.32 -0.35 -4.98 115.64 109.54 3brn s THR 56 Ca 0.23 -0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.37 3brn s THR 56 Cb -0.11 -1.19 -0.09 0.00 -1.51 0.00 0.00 72.50 69.61 3brn s THR 56 CO 0.15 0.00 0.87 -0.44 -2.21 0.00 0.00 174.62 172.99 3brn s SER 57 N -2.72 6.76 0.02 8.08 0.01 -1.26 -1.01 113.70 123.58 3brn s SER 57 Ca 0.04 1.47 -0.13 0.00 1.31 0.00 0.00 55.95 58.64 3brn s SER 57 Cb -0.02 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3brn s SER 57 CO -0.09 -0.37 0.28 0.72 0.41 0.00 0.00 173.24 174.19 3brn s PHE 58 N -2.25 -0.10 0.02 2.43 -0.71 -0.46 -4.49 117.98 112.42 3brn s PHE 58 Ca 0.58 0.03 -0.12 0.00 -1.04 0.00 0.00 56.93 56.37 3brn s PHE 58 Cb -0.10 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 3brn s PHE 58 CO 0.21 -0.45 0.37 0.99 -1.34 0.00 0.00 175.22 175.00 3brn s THR 59 N -2.10 5.12 0.09 -4.49 2.01 -1.26 -1.90 115.64 113.10 3brn s THR 59 Ca -0.08 0.59 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 3brn s THR 59 Cb -0.03 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3brn s THR 59 CO -0.01 0.46 0.12 -0.72 -0.69 0.00 0.00 174.62 173.78 3brn s TYR 60 N -1.21 0.36 0.00 4.92 1.13 -0.07 -0.68 117.35 121.80 3brn s TYR 60 Ca 0.27 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 3brn s TYR 60 Cb -0.15 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 3brn s TYR 60 CO 0.14 -0.51 0.00 0.41 -2.51 0.00 0.00 175.55 173.08 3brn n GLY 61 N -0.03 1.42 3.61 5.49 0.00 -0.65 0.02 105.19 115.06 3brn n GLY 61 Ca -0.13 -0.66 -0.00 0.00 0.00 0.00 0.00 46.02 45.23 3brn n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3brn s LYS 62 N 0.86 0.38 0.17 1.61 -2.85 -1.22 -1.64 119.74 117.05 3brn s LYS 62 Ca 0.00 -0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.48 3brn s LYS 62 Cb 0.00 0.14 -0.07 0.00 -2.06 0.00 0.00 37.83 35.84 3brn s LYS 62 CO 0.00 -0.17 1.06 -1.17 0.10 0.00 0.00 175.35 175.17 3brn s LEU 63 N -2.75 4.51 -0.24 2.77 2.96 -1.11 -1.73 118.68 123.09 3brn s LEU 63 Ca 0.13 2.02 -0.07 0.00 -0.22 0.00 0.00 54.13 55.99 3brn s LEU 63 Cb 0.03 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.23 3brn s LEU 63 CO -0.04 -0.16 0.50 -1.58 -1.32 0.00 0.00 176.35 173.75 3brn s GLN 64 N -0.38 0.42 -1.47 1.98 0.74 0.28 -4.86 119.66 116.37 3brn s GLN 64 Ca 0.48 1.14 -0.12 0.00 0.05 0.00 0.00 55.36 56.91 3brn s GLN 64 Cb -0.28 0.46 0.06 0.00 1.10 0.00 0.00 33.01 34.36 3brn s GLN 64 CO 0.34 -0.28 1.03 0.09 -0.55 0.00 0.00 175.29 175.91 3brn n ASN 65 N 5.41 -5.01 0.00 6.67 3.02 -1.26 -1.11 115.26 122.98 3brn n ASN 65 Ca -0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3brn n ASN 65 Cb 0.49 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3brn n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3brn n GLY 66 N -1.77 1.85 3.30 7.41 0.00 -1.26 -5.01 105.19 109.70 3brn n GLY 66 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3brn n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3brn s GLN 67 N -0.22 1.25 -0.45 1.61 -0.21 -0.27 -4.93 119.66 116.44 3brn s GLN 67 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.36 53.96 3brn s GLN 67 Cb 0.00 -1.52 0.03 0.00 1.00 0.00 0.00 33.01 32.52 3brn s GLN 67 CO 0.00 0.36 1.10 -1.64 -2.12 0.00 0.00 175.29 173.00 3brn s MET 68 N -1.73 3.76 0.34 2.91 -1.94 -1.26 -0.55 119.30 120.82 3brn s MET 68 Ca 0.08 0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 54.46 3brn s MET 68 Cb -0.10 -3.88 -0.10 0.00 2.01 0.00 0.00 34.83 32.77 3brn s MET 68 CO 0.04 -1.28 0.86 0.96 -0.01 0.00 0.00 175.02 175.58 3brn s ILE 69 N 4.24 4.44 -0.14 2.53 -4.36 -0.70 -4.92 121.20 122.29 3brn s ILE 69 Ca 0.46 1.41 -0.01 0.00 -0.26 0.00 0.00 60.65 62.26 3brn s ILE 69 Cb -0.08 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.86 3brn s ILE 69 CO 0.28 -0.07 -0.12 -1.10 0.24 0.00 0.00 174.94 174.17 3brn s GLN 70 N -2.61 3.38 0.21 0.37 -0.21 -1.26 -3.40 119.66 116.14 3brn s GLN 70 Ca 0.53 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 55.30 3brn s GLN 70 Cb -0.13 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.16 3brn s GLN 70 CO 0.18 0.17 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.92 3brn s LEU 71 N 0.47 2.48 0.08 2.90 1.43 0.10 -4.95 118.68 121.19 3brn s LEU 71 Ca -0.09 -1.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.01 3brn s LEU 71 Cb -0.16 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 3brn s LEU 71 CO 0.04 -0.29 -0.21 0.42 0.23 0.00 0.00 176.35 176.54 3brn s THR 72 N -3.13 1.70 0.36 5.49 -4.23 -1.26 -0.89 115.64 113.68 3brn s THR 72 Ca 0.23 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3brn s THR 72 Cb 0.02 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3brn s THR 72 CO 0.07 0.04 0.51 0.00 -0.54 0.00 0.00 174.62 174.70 3brn s ALA 73 N -1.02 0.75 -0.04 3.99 0.00 -0.80 -4.76 121.76 119.87 3brn s ALA 73 Ca 0.07 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 3brn s ALA 73 Cb -0.10 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.11 3brn s ALA 73 CO 0.03 -0.81 0.02 0.99 0.00 0.00 0.00 175.76 176.00 3brn s THR 74 N -2.87 4.39 -0.05 0.00 2.01 -0.42 -1.36 115.64 117.33 3brn s THR 74 Ca 0.30 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3brn s THR 74 Cb -0.01 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.60 3brn s THR 74 CO 0.21 0.48 -0.11 0.54 -0.69 0.00 0.00 174.62 175.06 3brn s VAL 75 N -1.01 0.99 -0.07 3.82 0.11 -0.18 -1.33 120.40 122.73 3brn s VAL 75 Ca 0.17 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 3brn s VAL 75 Cb -0.12 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3brn s VAL 75 CO 0.07 0.32 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.04 3brn s THR 76 N 0.60 1.93 -0.15 5.04 2.01 -0.12 -1.21 115.64 123.74 3brn s THR 76 Ca -0.12 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 3brn s THR 76 Cb -0.14 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 3brn s THR 76 CO 0.03 0.54 -0.13 0.68 -0.69 0.00 0.00 174.62 175.04 3brn s VAL 77 N 0.02 2.90 -0.07 3.82 -7.23 -0.79 -0.99 120.40 118.06 3brn s VAL 77 Ca -0.08 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.37 3brn s VAL 77 Cb -0.14 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.60 3brn s VAL 77 CO 0.05 0.51 0.15 0.20 -0.31 0.00 0.00 175.10 175.70 3brn s ASN 78 N 0.71 0.01 1.19 4.85 0.01 -0.83 -0.24 114.94 120.65 3brn s ASN 78 Ca -0.06 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 3brn s ASN 78 Cb -0.15 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.72 3brn s ASN 78 CO 0.02 -0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 3brn n GLY 79 N 4.39 3.17 1.24 0.66 0.00 -1.26 -0.19 105.19 113.21 3brn n GLY 79 Ca -0.23 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3brn n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3brn n ASP 80 N 3.31 3.60 -4.63 1.61 5.75 -1.23 -1.26 116.55 123.70 3brn n ASP 80 Ca 0.00 -2.44 -0.35 0.00 -0.01 0.00 0.00 54.79 51.99 3brn n ASP 80 Cb 0.00 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 39.45 3brn n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3brn s LYS 81 N -1.92 3.98 -0.38 0.11 -0.14 0.74 -1.15 119.74 120.97 3brn s LYS 81 Ca 0.33 -0.33 -0.08 0.00 -1.36 0.00 0.00 55.97 54.53 3brn s LYS 81 Cb 0.24 -3.32 0.05 0.00 -1.68 0.00 0.00 37.83 33.12 3brn s LYS 81 CO 0.13 0.17 0.18 0.42 -0.76 0.00 0.00 175.35 175.49 3brn s ILE 82 N 0.67 4.10 -0.29 2.17 1.01 0.12 -1.96 121.20 127.02 3brn s ILE 82 Ca 0.05 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 3brn s ILE 82 Cb -0.13 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3brn s ILE 82 CO 0.01 -0.31 0.14 -0.70 0.00 0.00 0.00 174.94 174.08 3brn s GLU 83 N 1.44 3.54 -0.14 2.79 2.56 -0.16 0.16 118.70 128.89 3brn s GLU 83 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 54.97 54.37 3brn s GLU 83 Cb -0.21 -3.52 -0.03 0.00 2.00 0.00 0.00 34.13 32.37 3brn s GLU 83 CO 0.03 -0.31 -0.04 0.08 -0.56 0.00 0.00 175.26 174.46 3brn s VAL 84 N 1.65 3.90 -0.06 3.70 1.01 -0.47 -0.94 120.40 129.19 3brn s VAL 84 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3brn s VAL 84 Cb -0.16 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3brn s VAL 84 CO 0.07 0.52 -0.12 0.42 0.00 0.00 0.00 175.10 175.98 3brn s THR 85 N 0.11 1.12 0.00 3.92 -4.23 -0.44 -0.71 115.64 115.40 3brn s THR 85 Ca -0.01 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3brn s THR 85 Cb -0.14 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.70 3brn s THR 85 CO 0.03 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 3brn n GLY 86 N 3.64 0.86 0.45 3.99 0.00 -1.26 -1.31 105.19 111.56 3brn n GLY 86 Ca -0.22 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.27 3brn n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brn n ALA 87 N -0.65 2.29 -0.23 4.61 0.00 -1.26 -4.54 120.51 120.72 3brn n ALA 87 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.97 3brn n ALA 87 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3brn n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3brn n GLY 88 N -0.15 0.17 1.45 0.00 0.00 -1.26 -4.14 105.19 101.27 3brn n GLY 88 Ca 0.11 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.26 3brn n GLY 88 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3brn n GLN 89 N 3.03 3.42 0.00 1.61 1.13 -1.26 -3.61 117.38 121.70 3brn n GLN 89 Ca 0.00 -2.53 0.00 0.00 -1.94 0.00 0.00 57.00 52.53 3brn n GLN 89 Cb 0.00 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.53 3brn n GLN 89 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3brn n ASP 90 N 0.99 0.00 0.09 1.08 5.68 -1.26 -4.89 116.55 118.24 3brn n ASP 90 Ca 0.23 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.65 3brn n ASP 90 Cb 0.80 -0.07 0.34 0.00 -1.14 0.00 0.00 41.12 41.05 3brn n ASP 90 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3brn n LEU 91 N -2.30 0.76 -4.77 -2.12 7.94 -1.26 -4.85 117.00 110.41 3brn n LEU 91 Ca 0.00 0.47 -0.38 0.00 -1.11 0.00 0.00 56.01 54.98 3brn n LEU 91 Cb 0.00 -0.28 -0.02 0.00 0.53 0.00 0.00 43.42 43.64 3brn n LEU 91 CO 0.00 -0.14 0.83 -0.44 -1.11 0.00 0.00 177.39 176.53 3brn s SER 92 N -4.39 6.61 0.00 1.96 0.01 -1.24 -4.60 113.70 112.05 3brn s SER 92 Ca 0.09 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.67 3brn s SER 92 Cb 0.13 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3brn s SER 92 CO 0.63 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3brn n GLY 93 N 0.65 -0.47 3.56 3.44 0.00 0.11 -4.82 105.19 107.66 3brn n GLY 93 Ca 0.04 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 3brn n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3brn s THR 94 N 0.00 5.19 -0.15 2.61 2.01 -1.26 -1.37 115.64 122.67 3brn s THR 94 Ca 0.00 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 3brn s THR 94 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3brn s THR 94 CO 0.00 0.01 0.09 -0.89 -0.69 0.00 0.00 174.62 173.14 3brn s THR 95 N 1.99 5.06 -0.12 -0.82 2.01 0.12 -3.19 115.64 120.69 3brn s THR 95 Ca 0.12 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3brn s THR 95 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 3brn s THR 95 CO 0.11 0.52 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.62 3brn s THR 96 N -0.22 3.74 -0.44 -0.82 2.01 -0.37 0.11 115.64 119.65 3brn s THR 96 Ca 0.09 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.39 3brn s THR 96 Cb -0.12 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.82 3brn s THR 96 CO 0.01 0.54 0.99 -0.69 -0.69 0.00 0.00 174.62 174.78 3brn s VAL 97 N -0.07 4.42 0.01 3.82 1.01 -0.30 -0.95 120.40 128.33 3brn s VAL 97 Ca 0.01 0.99 0.11 0.00 0.00 0.00 0.00 61.98 63.09 3brn s VAL 97 Cb -0.13 -4.46 -0.22 0.00 0.00 0.00 0.00 36.38 31.57 3brn s VAL 97 CO 0.03 -0.82 0.87 -0.07 0.00 0.00 0.00 175.10 175.11 3brn h LEU 98 N 10.64 0.00 -7.00 3.92 3.38 -1.14 -3.45 115.31 121.66 3brn h LEU 98 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3brn h LEU 98 Cb 1.07 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 3brn h LEU 98 CO 1.05 0.98 0.27 0.12 0.09 0.00 0.00 178.44 180.95 3brn s PHE 99 N -2.65 -0.61 -0.03 1.13 5.36 -0.93 -4.98 117.98 115.27 3brn s PHE 99 Ca -0.03 1.17 -0.30 0.00 -0.96 0.00 0.00 56.93 56.82 3brn s PHE 99 Cb 0.09 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 3brn s PHE 99 CO 0.82 -0.49 0.69 0.45 -1.46 0.00 0.00 175.22 175.23 3brn s SER 100 N -0.80 -0.63 0.00 6.13 0.15 -1.26 -0.51 113.70 116.77 3brn s SER 100 Ca -0.06 0.61 0.17 0.00 0.70 0.00 0.00 55.95 57.37 3brn s SER 100 Cb -0.01 0.53 0.24 0.00 -1.71 0.00 0.00 66.02 65.07 3brn s SER 100 CO 0.06 -0.64 1.15 -0.90 1.20 0.00 0.00 173.24 174.10 3brn n ASP 101 N 0.74 2.72 -0.40 5.45 5.75 -1.15 -4.98 116.55 124.69 3brn n ASP 101 Ca -0.18 -1.80 -0.05 0.00 -0.01 0.00 0.00 54.79 52.75 3brn n ASP 101 Cb 0.58 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 3brn n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3brn n TYR 102 N 0.98 0.00 0.10 2.11 4.01 -1.26 -4.68 117.16 118.42 3brn n TYR 102 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3brn n TYR 102 Cb 0.45 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.04 3brn n TYR 102 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3brn n ARG 103 N -1.97 0.00 -0.02 -0.72 1.74 -1.26 -3.26 116.66 111.16 3brn n ARG 103 Ca -0.05 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 3brn n ARG 103 Cb 0.28 -0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.68 3brn n ARG 103 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3brn n SER 104 N -3.16 3.79 -3.68 0.55 3.41 -1.26 -3.74 113.62 109.53 3brn n SER 104 Ca 0.00 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3brn n SER 104 Cb 0.00 0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 3brn n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3brn s ASP 106 N -2.21 0.89 -0.12 0.00 1.01 -0.51 -2.92 116.67 112.81 3brn s ASP 106 Ca -0.03 -0.59 0.02 0.00 0.71 0.00 0.00 52.55 52.65 3brn s ASP 106 Cb -0.00 0.04 -0.01 0.00 1.01 0.00 0.00 42.92 43.96 3brn s ASP 106 CO -0.05 -0.23 -0.18 -0.69 0.21 0.00 0.00 175.17 174.23 3brn s VAL 107 N -1.59 2.54 0.27 -1.27 1.01 0.33 -1.64 120.40 120.05 3brn s VAL 107 Ca -0.08 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.16 3brn s VAL 107 Cb -0.09 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3brn s VAL 107 CO -0.00 0.54 -0.16 -0.04 0.00 0.00 0.00 175.10 175.44 3brn s MET 108 N 0.47 1.60 -0.30 2.72 1.00 -0.27 -0.53 119.30 124.00 3brn s MET 108 Ca -0.13 -1.75 -0.09 0.00 0.00 0.00 0.00 55.69 53.72 3brn s MET 108 Cb -0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 34.83 33.11 3brn s MET 108 CO 0.05 0.24 0.14 0.50 0.00 0.00 0.00 175.02 175.95 3brn s ARG 109 N -3.58 3.43 0.96 2.03 3.52 -0.13 -1.35 118.95 123.84 3brn s ARG 109 Ca 0.28 -0.65 -0.13 0.00 -0.13 0.00 0.00 55.73 55.10 3brn s ARG 109 Cb -0.02 -3.53 0.17 0.00 -1.56 0.00 0.00 34.95 30.00 3brn s ARG 109 CO 0.13 -0.36 1.14 0.20 -0.81 0.00 0.00 175.30 175.60 3brn s GLY 110 N 1.62 1.59 0.50 8.12 0.00 0.19 -1.23 107.32 118.11 3brn s GLY 110 Ca 0.05 -0.60 0.18 0.00 0.00 0.00 0.00 44.72 44.35 3brn s GLY 110 CO 0.06 0.02 2.09 -2.55 0.00 0.00 0.00 173.10 172.73 3brn h PRO 111 N -1.70 0.00 0.00 2.90 0.11 -1.86 -1.39 132.00 130.06 3brn h PRO 111 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3brn h PRO 111 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3brn h PRO 111 CO 0.57 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3brn n ASP 112 N -4.29 0.00 0.00 -2.05 8.00 -1.26 -4.84 116.55 112.10 3brn n ASP 112 Ca -0.03 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3brn n ASP 112 Cb 0.16 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3brn n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3brn n GLY 113 N 1.16 0.47 3.78 0.44 0.00 -0.52 -5.08 105.19 105.44 3brn n GLY 113 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3brn n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brn s ASN 114 N -2.73 4.58 0.06 1.61 4.22 -1.26 -4.77 114.94 116.65 3brn s ASN 114 Ca 0.00 1.55 0.01 0.00 -2.14 0.00 0.00 52.86 52.28 3brn s ASN 114 Cb 0.00 -2.31 -0.04 0.00 1.28 0.00 0.00 41.25 40.18 3brn s ASN 114 CO 0.00 -1.95 0.18 -0.31 -2.04 0.00 0.00 177.10 172.98 3brn s TYR 115 N -3.02 3.44 -0.03 1.54 2.02 -1.26 -0.64 117.35 119.40 3brn s TYR 115 Ca 0.60 0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 57.49 3brn s TYR 115 Cb -0.16 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3brn s TYR 115 CO 0.55 0.57 0.08 -1.21 -1.57 0.00 0.00 175.55 173.98 3brn s GLU 116 N -2.48 0.11 -0.20 -0.62 2.02 -0.46 -1.49 118.70 115.59 3brn s GLU 116 Ca 0.34 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.38 3brn s GLU 116 Cb -0.13 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.16 3brn s GLU 116 CO 0.27 -0.02 -0.10 -1.17 0.02 0.00 0.00 175.26 174.26 3brn s LEU 117 N -0.05 2.63 -0.10 1.80 2.96 0.49 -1.11 118.68 125.30 3brn s LEU 117 Ca -0.01 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3brn s LEU 117 Cb -0.01 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3brn s LEU 117 CO 0.00 0.00 -0.05 0.26 -1.32 0.00 0.00 176.35 175.24 3brn s TRP 118 N 1.31 2.99 -0.05 5.38 0.52 -0.65 -0.41 118.94 128.01 3brn s TRP 118 Ca 0.04 -0.10 0.02 0.00 0.02 0.00 0.00 56.10 56.08 3brn s TRP 118 Cb -0.14 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3brn s TRP 118 CO -0.05 0.20 -0.12 0.08 0.02 0.00 0.00 176.95 177.08 3brn s VAL 119 N -0.37 1.07 0.46 4.03 1.01 -0.26 -1.43 120.40 124.91 3brn s VAL 119 Ca 0.06 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3brn s VAL 119 Cb -0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 3brn s VAL 119 CO 0.02 0.33 1.42 -2.28 0.00 0.00 0.00 175.10 174.60 3brn s HIS 120 N 0.54 2.42 0.47 5.22 2.46 0.35 -0.52 115.29 126.23 3brn s HIS 120 Ca -0.11 1.27 0.24 0.00 0.47 0.00 0.00 55.06 56.93 3brn s HIS 120 Cb -0.14 -3.92 1.27 0.00 -0.13 0.00 0.00 32.58 29.66 3brn s HIS 120 CO 0.03 -2.97 1.86 0.66 -2.47 0.00 0.00 174.74 171.84 3brn h SER 121 N 2.20 0.23 0.47 9.88 4.64 -0.86 0.16 113.55 130.27 3brn h SER 121 Ca -0.51 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3brn h SER 121 Cb 1.27 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3brn h SER 121 CO 0.61 0.08 -0.09 0.77 -0.87 0.00 0.00 176.83 177.32 3brn h SER 122 N 0.22 0.00 -0.02 4.97 4.64 -1.91 -3.24 113.55 118.22 3brn h SER 122 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3brn h SER 122 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3brn h SER 122 CO -0.12 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3brn n ALA 123 N -2.21 2.45 0.19 5.18 0.00 0.49 -4.76 120.51 121.84 3brn n ALA 123 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 52.87 3brn n ALA 123 Cb 0.24 -0.13 0.42 0.00 0.00 0.00 0.00 19.45 19.97 3brn n ALA 123 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3brn h ILE 124 N 0.76 1.20 -0.23 0.00 6.09 -1.41 -2.38 117.51 121.53 3brn h ILE 124 Ca 0.00 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 3brn h ILE 124 Cb 0.21 1.47 0.00 0.00 0.47 0.00 0.00 36.82 38.97 3brn h ILE 124 CO 0.00 0.27 0.00 0.59 -3.07 0.00 0.00 178.15 175.94 3brn n ASN 125 N -4.21 1.58 -4.77 2.19 4.13 -1.26 -4.92 115.26 108.00 3brn n ASN 125 Ca -0.02 -1.84 -0.31 0.00 1.68 0.00 0.00 54.58 54.09 3brn n ASN 125 Cb 0.32 -0.15 0.08 0.00 -1.54 0.00 0.00 39.78 38.49 3brn n ASN 125 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3brn s LEU 126 N -1.28 3.08 0.40 3.41 1.43 -0.90 -4.95 118.68 119.87 3brn s LEU 126 Ca 0.26 1.83 0.21 0.00 -1.03 0.00 0.00 54.13 55.41 3brn s LEU 126 Cb 0.14 -4.52 0.37 0.00 0.03 0.00 0.00 46.19 42.20 3brn s LEU 126 CO 0.20 -1.95 1.60 1.56 0.23 0.00 0.00 176.35 177.99 3brn h GLN 127 N -0.96 0.00 -2.83 1.70 1.08 -1.91 -3.45 115.11 108.74 3brn h GLN 127 Ca -0.44 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.64 3brn h GLN 127 Cb 1.23 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.43 3brn h GLN 127 CO 0.52 0.17 -0.24 -1.54 -0.95 0.00 0.00 178.83 176.79 3brn s SER 128 N -6.25 -0.36 -0.22 1.46 1.04 -1.26 -5.04 113.70 103.07 3brn s SER 128 Ca 0.05 0.58 0.15 0.00 0.48 0.00 0.00 55.95 57.21 3brn s SER 128 Cb 0.06 0.65 0.82 0.00 0.10 0.00 0.00 66.02 67.65 3brn s SER 128 CO 0.68 -0.25 1.74 -1.22 0.98 0.00 0.00 173.24 175.18 3brn n TYR 129 N 2.32 2.02 0.00 5.02 4.01 -1.26 -5.02 117.16 124.24 3brn n TYR 129 Ca -0.16 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 3brn n TYR 129 Cb 0.57 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3brn n TYR 129 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3brn n GLY 130 N 0.72 3.81 0.25 2.72 0.00 -1.26 -2.68 105.19 108.75 3brn n GLY 130 Ca 0.28 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.38 3brn n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brn h ASP 133 N 0.33 0.42 -0.97 0.00 3.32 -1.46 0.19 116.42 118.26 3brn h ASP 133 Ca -0.00 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3brn h ASP 133 Cb 1.11 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 3brn h ASP 133 CO 0.10 0.51 0.63 0.74 -1.72 0.00 0.00 179.24 179.50 3brn h THR 134 N 0.32 1.17 -0.07 0.35 2.02 -1.39 -1.55 112.91 113.75 3brn h THR 134 Ca 0.10 -0.42 -0.17 0.00 0.77 0.00 0.00 66.41 66.69 3brn h THR 134 Cb 0.23 -0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3brn h THR 134 CO -0.00 0.22 -0.60 0.50 0.37 0.00 0.00 175.52 176.01 3brn h LYS 135 N 1.23 0.53 -0.73 6.66 1.63 -1.13 -2.44 116.57 122.32 3brn h LYS 135 Ca 0.39 -0.48 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3brn h LYS 135 Cb 0.00 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 3brn h LYS 135 CO -0.12 1.11 0.39 0.35 -3.45 0.00 0.00 179.45 177.73 3brn h PHE 136 N 0.12 1.02 -0.75 1.91 3.57 -0.80 -1.59 116.94 120.43 3brn h PHE 136 Ca -0.06 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.43 3brn h PHE 136 Cb 1.26 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3brn h PHE 136 CO 0.12 0.73 0.48 0.00 -2.23 0.00 0.00 178.31 177.41 3brn h ALA 137 N 1.20 0.96 0.44 2.41 0.00 -1.32 0.64 119.26 123.60 3brn h ALA 137 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3brn h ALA 137 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3brn h ALA 137 CO -0.04 0.31 -0.28 1.96 0.00 0.00 0.00 179.25 181.20 3brn h GLN 138 N 0.97 -0.67 0.00 0.00 4.20 -0.87 -2.16 115.11 116.58 3brn h GLN 138 Ca 0.29 0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.91 3brn h GLN 138 Cb -0.05 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3brn h GLN 138 CO -0.09 -0.45 -0.61 -0.39 -0.67 0.00 0.00 178.83 176.63 3brn h VAL 139 N -0.69 1.44 -0.10 -0.54 -1.51 -1.15 -3.25 116.25 110.44 3brn h VAL 139 Ca -0.05 -2.09 -0.20 0.00 -1.23 0.00 0.00 66.70 63.13 3brn h VAL 139 Cb 0.57 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3brn h VAL 139 CO 0.04 0.60 -0.74 0.00 -1.23 0.00 0.00 177.57 176.24 3brn h ALA 140 N 1.39 0.51 -0.72 5.19 0.00 -0.86 -3.48 119.26 121.28 3brn h ALA 140 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3brn h ALA 140 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3brn h ALA 140 CO 0.08 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.48 3brn n GLY 141 N 0.60 2.63 1.12 0.00 0.00 -0.81 -2.15 105.19 106.57 3brn n GLY 141 Ca -0.05 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3brn n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brn n GLY 142 N 0.00 1.82 3.77 -0.02 0.00 -1.26 -4.94 105.19 104.55 3brn n GLY 142 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3brn n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3brn s ARG 143 N -1.27 3.70 0.39 1.61 0.52 -0.91 -4.97 118.95 118.02 3brn s ARG 143 Ca 0.40 1.87 -0.27 0.00 -0.52 0.00 0.00 55.73 57.21 3brn s ARG 143 Cb 0.21 -2.43 -0.10 0.00 0.52 0.00 0.00 34.95 33.15 3brn s ARG 143 CO 0.26 -0.62 1.47 -2.14 0.02 0.00 0.00 175.30 174.29 3brn s PRO 144 N -2.67 4.01 -0.12 3.54 0.02 -1.26 -5.00 135.00 133.52 3brn s PRO 144 Ca 0.64 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 64.17 3brn s PRO 144 Cb -0.31 -2.89 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 3brn s PRO 144 CO 0.38 -0.60 -0.06 0.42 -0.33 0.00 0.00 177.00 176.81 3brn s ILE 145 N -1.14 3.73 -0.17 2.83 -1.09 -1.26 -4.44 121.20 119.66 3brn s ILE 145 Ca 0.55 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 3brn s ILE 145 Cb -0.46 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3brn s ILE 145 CO 0.61 0.54 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.81 3brn s HIS 146 N -0.09 2.96 -0.58 3.97 3.76 0.11 -4.96 115.29 120.47 3brn s HIS 146 Ca 0.01 -0.50 -0.18 0.00 -0.15 0.00 0.00 55.06 54.24 3brn s HIS 146 Cb -0.13 -1.97 0.10 0.00 1.11 0.00 0.00 32.58 31.69 3brn s HIS 146 CO 0.03 -0.18 0.66 -1.01 -0.85 0.00 0.00 174.74 173.39 3brn s HIS 147 N 0.62 3.04 -0.01 1.40 3.76 -1.26 -1.18 115.29 121.65 3brn s HIS 147 Ca -0.04 -0.98 0.12 0.00 -0.15 0.00 0.00 55.06 54.01 3brn s HIS 147 Cb -0.15 -3.93 -0.21 0.00 1.11 0.00 0.00 32.58 29.40 3brn s HIS 147 CO 0.03 -1.23 0.87 1.15 -0.85 0.00 0.00 174.74 174.70 3brn h THR 148 N 5.91 1.05 -2.89 1.30 2.02 -1.55 -3.44 112.91 115.32 3brn h THR 148 Ca -0.29 -2.82 -0.63 0.00 0.77 0.00 0.00 66.41 63.44 3brn h THR 148 Cb 1.09 2.50 -0.06 0.00 -1.74 0.00 0.00 68.15 69.94 3brn h THR 148 CO 1.08 0.60 -0.32 0.86 0.37 0.00 0.00 175.52 178.11 3brn s TRP 149 N -2.67 3.66 0.07 3.16 -0.00 -1.19 -1.14 118.94 120.84 3brn s TRP 149 Ca -0.03 0.79 0.04 0.00 -0.00 0.00 0.00 56.10 56.90 3brn s TRP 149 Cb 0.09 -2.16 -0.03 0.00 -0.00 0.00 0.00 33.47 31.37 3brn s TRP 149 CO 0.82 0.66 -0.11 -0.65 -0.00 0.00 0.00 176.95 177.67 3brn s GLN 150 N -0.97 0.73 0.66 5.86 -1.52 -1.26 -5.00 119.66 118.16 3brn s GLN 150 Ca 0.20 -0.95 0.32 0.00 -1.95 0.00 0.00 55.36 52.97 3brn s GLN 150 Cb -0.15 -0.55 1.72 0.00 -0.22 0.00 0.00 33.01 33.81 3brn s GLN 150 CO 0.09 0.11 1.99 0.00 -0.25 0.00 0.00 175.29 177.22 3brn h THR 151 N 4.13 0.06 -0.00 -0.19 1.03 -1.99 0.91 112.91 116.86 3brn h THR 151 Ca -0.38 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 3brn h THR 151 Cb 1.19 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 3brn h THR 151 CO 0.44 0.00 -0.05 0.00 -0.01 0.00 0.00 175.52 175.90 3brn n TYR 152 N -3.04 0.00 -1.75 0.00 4.11 -1.26 -4.87 117.16 110.35 3brn n TYR 152 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.47 3brn n TYR 152 Cb 0.36 -0.38 -0.02 0.00 -0.00 0.00 0.00 39.34 39.30 3brn n TYR 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3brn s PRO 154 N -0.23 0.47 0.82 0.00 0.02 -1.26 -4.99 135.00 129.84 3brn s PRO 154 Ca 0.65 1.25 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 3brn s PRO 154 Cb -0.49 -1.69 0.08 0.00 0.02 0.00 0.00 34.50 32.43 3brn s PRO 154 CO 0.46 -2.91 1.10 -2.14 -0.33 0.00 0.00 177.00 173.18 3brn s PRO 155 N -4.62 1.87 0.33 5.54 0.02 -1.26 -4.98 135.00 131.89 3brn s PRO 155 Ca 0.67 1.15 -0.28 0.00 0.02 0.00 0.00 61.00 62.55 3brn s PRO 155 Cb -0.23 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 3brn s PRO 155 CO 0.60 -1.91 1.23 -0.51 -0.33 0.00 0.00 177.00 176.08 3brn s LEU 156 N -6.09 4.42 0.00 -5.54 1.43 -1.26 -4.92 118.68 106.72 3brn s LEU 156 Ca 0.62 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 3brn s LEU 156 Cb -0.18 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.33 3brn s LEU 156 CO 0.57 -0.47 0.44 -0.81 0.23 0.00 0.00 176.35 176.31