#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8y s ALA 9 N 0.00 3.27 0.08 1.96 0.00 -1.26 -0.65 121.76 125.15 2r8y s ALA 9 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2r8y s ALA 9 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2r8y s ALA 9 CO 0.00 -0.08 -0.05 0.95 0.00 0.00 0.00 175.76 176.58 2r8y s THR 10 N 0.05 0.51 -1.27 0.00 -4.23 -1.22 -4.93 115.64 104.55 2r8y s THR 10 Ca 0.48 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 59.19 2r8y s THR 10 Cb -0.24 -1.63 0.13 0.00 1.34 0.00 0.00 72.50 72.09 2r8y s THR 10 CO 0.31 -0.91 1.22 0.00 -0.54 0.00 0.00 174.62 174.69 2r8y n TYR 12 N -1.37 0.00 0.00 0.00 4.02 -1.26 -5.10 117.16 113.46 2r8y n TYR 12 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2r8y n TYR 12 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2r8y n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r8y n GLY 13 N 0.99 2.76 3.68 2.72 0.00 -0.47 -4.94 105.19 109.92 2r8y n GLY 13 Ca 0.10 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2r8y n GLY 13 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r8y n PRO 14 N -0.82 1.78 -4.42 1.61 -0.02 -1.26 -3.41 135.00 128.46 2r8y n PRO 14 Ca 0.00 0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 61.86 2r8y n PRO 14 Cb 0.00 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.07 2r8y n PRO 14 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r8y s VAL 15 N -1.21 2.31 0.71 -1.45 -7.23 0.17 -4.94 120.40 108.76 2r8y s VAL 15 Ca 0.61 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2r8y s VAL 15 Cb -0.52 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.32 2r8y s VAL 15 CO 0.58 -0.19 1.11 -0.94 -0.31 0.00 0.00 175.10 175.34 2r8y s SER 16 N -2.82 4.77 0.32 4.85 1.04 -1.26 -4.71 113.70 115.89 2r8y s SER 16 Ca 0.22 1.97 -0.00 0.00 0.48 0.00 0.00 55.95 58.62 2r8y s SER 16 Cb -0.07 -2.54 0.53 0.00 0.10 0.00 0.00 66.02 64.04 2r8y s SER 16 CO 0.10 -1.86 1.99 0.00 0.98 0.00 0.00 173.24 174.45 2r8y h ALA 17 N -0.44 1.47 -0.53 5.32 0.00 -2.00 -2.17 119.26 120.92 2r8y h ALA 17 Ca -0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2r8y h ALA 17 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2r8y h ALA 17 CO 0.52 0.49 0.17 0.22 0.00 0.00 0.00 179.25 180.65 2r8y h ASP 18 N 1.00 0.77 -0.32 0.00 3.58 -1.99 -0.99 116.42 118.47 2r8y h ASP 18 Ca 0.27 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2r8y h ASP 18 Cb -0.11 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 2r8y h ASP 18 CO -0.06 0.77 0.19 0.58 -2.88 0.00 0.00 179.24 177.83 2r8y h VAL 19 N 0.73 1.12 -0.54 2.25 2.07 -1.84 -1.73 116.25 118.30 2r8y h VAL 19 Ca 0.17 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2r8y h VAL 19 Cb 0.27 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2r8y h VAL 19 CO -0.01 0.12 0.34 -0.03 0.02 0.00 0.00 177.57 178.01 2r8y h MET 20 N 0.40 0.65 -0.59 1.57 1.85 -1.16 -0.52 114.93 117.13 2r8y h MET 20 Ca 0.11 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.20 2r8y h MET 20 Cb 0.03 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 31.87 2r8y h MET 20 CO -0.02 0.43 0.34 0.00 -0.40 0.00 0.00 176.91 177.26 2r8y h ALA 21 N 1.23 0.77 -0.40 0.39 0.00 -1.10 -0.30 119.26 119.84 2r8y h ALA 21 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2r8y h ALA 21 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2r8y h ALA 21 CO -0.08 0.05 0.23 0.87 0.00 0.00 0.00 179.25 180.32 2r8y h LYS 22 N 0.66 0.55 -0.37 0.00 1.57 -0.91 -2.93 116.57 115.15 2r8y h LYS 22 Ca 0.25 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2r8y h LYS 22 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2r8y h LYS 22 CO -0.13 0.43 0.07 0.00 -0.57 0.00 0.00 179.45 179.25 2r8y h ALA 23 N 1.10 1.45 -0.07 3.86 0.00 -0.56 -2.77 119.26 122.27 2r8y h ALA 23 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2r8y h ALA 23 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2r8y h ALA 23 CO -0.03 0.40 -0.00 1.49 0.00 0.00 0.00 179.25 181.11 2r8y h GLU 24 N 0.53 0.09 -0.05 0.00 4.22 -0.87 -2.83 114.58 115.66 2r8y h GLU 24 Ca 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.55 2r8y h GLU 24 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2r8y h GLU 24 CO -0.00 0.11 0.00 0.09 -2.18 0.00 0.00 179.01 177.03 2r8y n ASN 25 N -4.47 1.56 -4.69 1.04 4.13 -1.04 -4.75 115.26 107.03 2r8y n ASN 25 Ca -0.02 -1.56 -0.42 0.00 1.68 0.00 0.00 54.58 54.27 2r8y n ASN 25 Cb 0.13 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.31 2r8y n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r8y s ILE 26 N -1.95 4.83 -0.21 2.41 -1.09 -1.07 -4.45 121.20 119.68 2r8y s ILE 26 Ca 0.37 1.90 0.08 0.00 -2.23 0.00 0.00 60.65 60.76 2r8y s ILE 26 Cb 0.20 -4.25 -0.11 0.00 -1.58 0.00 0.00 42.46 36.72 2r8y s ILE 26 CO 0.32 0.04 0.27 0.54 -1.23 0.00 0.00 174.94 174.87 2r8y n ARG 27 N 4.91 2.38 -3.75 2.79 5.12 0.35 -4.87 116.66 123.58 2r8y n ARG 27 Ca 0.07 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.77 2r8y n ARG 27 Cb 0.49 -1.03 -0.17 0.00 -1.16 0.00 0.00 32.46 30.59 2r8y n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2r8y s LEU 28 N -2.96 0.67 -0.29 0.55 2.96 -0.86 -0.99 118.68 117.76 2r8y s LEU 28 Ca 0.00 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2r8y s LEU 28 Cb 0.06 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.62 2r8y s LEU 28 CO 0.34 -0.18 0.06 -0.22 -1.32 0.00 0.00 176.35 175.03 2r8y s LEU 29 N 1.58 3.80 -0.15 -0.68 2.96 0.66 -0.82 118.68 126.03 2r8y s LEU 29 Ca -0.02 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2r8y s LEU 29 Cb -0.13 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2r8y s LEU 29 CO -0.03 -0.20 0.08 -0.63 -1.32 0.00 0.00 176.35 174.25 2r8y s ILE 30 N 1.45 4.99 -0.03 6.68 1.01 0.43 -0.80 121.20 134.93 2r8y s ILE 30 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2r8y s ILE 30 Cb -0.17 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 2r8y s ILE 30 CO 0.01 0.54 -0.14 -0.76 0.00 0.00 0.00 174.94 174.59 2r8y s LEU 31 N -0.30 1.87 0.66 2.97 1.43 -0.33 -1.16 118.68 123.82 2r8y s LEU 31 Ca 0.09 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2r8y s LEU 31 Cb -0.12 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 2r8y s LEU 31 CO 0.01 0.12 1.05 -0.62 0.23 0.00 0.00 176.35 177.15 2r8y s ASP 32 N 0.06 5.56 0.00 2.29 3.68 -0.88 -2.04 116.67 125.35 2r8y s ASP 32 Ca -0.02 1.64 0.00 0.00 2.13 0.00 0.00 52.55 56.29 2r8y s ASP 32 Cb -0.10 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.87 2r8y s ASP 32 CO 0.01 -1.32 0.00 0.52 0.13 0.00 0.00 175.17 174.51 2r8y n VAL 33 N -2.84 0.00 -2.22 1.11 0.31 -1.26 -3.75 118.33 109.68 2r8y n VAL 33 Ca 0.08 0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 64.47 2r8y n VAL 33 Cb 0.53 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.95 2r8y n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2r8y s ASP 34 N -3.63 6.38 0.00 4.52 1.01 -1.26 -0.35 116.67 123.33 2r8y s ASP 34 Ca 0.00 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.57 2r8y s ASP 34 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2r8y s ASP 34 CO 0.00 -1.31 0.00 0.61 0.21 0.00 0.00 175.17 174.68 2r8y n GLY 35 N 4.77 0.72 1.06 0.21 0.00 -0.98 -4.71 105.19 106.25 2r8y n GLY 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2r8y n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r8y n VAL 36 N -2.00 0.97 0.96 1.61 0.31 -0.52 -4.25 118.33 115.41 2r8y n VAL 36 Ca 0.00 0.32 0.13 0.00 -0.01 0.00 0.00 64.34 64.78 2r8y n VAL 36 Cb 0.00 -1.55 0.43 0.00 -0.91 0.00 0.00 33.84 31.81 2r8y n VAL 36 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2r8y n LEU 37 N -3.40 0.28 -4.27 7.52 4.77 0.52 -1.92 117.00 120.51 2r8y n LEU 37 Ca 0.00 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 2r8y n LEU 37 Cb 0.10 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 2r8y n LEU 37 CO 0.00 0.04 -0.20 -0.94 -1.33 0.00 0.00 177.39 174.96 2r8y s SER 38 N -3.13 0.97 -0.00 -1.43 1.04 -1.09 -4.06 113.70 105.99 2r8y s SER 38 Ca 0.12 -1.52 0.06 0.00 0.48 0.00 0.00 55.95 55.09 2r8y s SER 38 Cb 0.18 0.40 0.17 0.00 0.10 0.00 0.00 66.02 66.88 2r8y s SER 38 CO 0.61 -0.89 1.12 -0.90 0.98 0.00 0.00 173.24 174.16 2r8y n ASP 39 N -0.76 1.12 0.00 7.02 3.85 -1.25 -2.07 116.55 124.46 2r8y n ASP 39 Ca 0.03 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2r8y n ASP 39 Cb 0.65 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 2r8y n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8y n GLY 40 N 0.76 0.63 3.80 6.12 0.00 -1.26 -4.66 105.19 110.59 2r8y n GLY 40 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2r8y n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r8y s LEU 41 N 0.00 4.54 -0.19 0.99 1.43 -1.26 -4.77 118.68 119.42 2r8y s LEU 41 Ca 0.00 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2r8y s LEU 41 Cb 0.00 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.10 2r8y s LEU 41 CO 0.00 0.23 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 2r8y s ILE 42 N -1.16 2.90 -0.21 -0.59 -1.09 -1.26 -4.73 121.20 115.05 2r8y s ILE 42 Ca 0.33 -0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 57.93 2r8y s ILE 42 Cb -0.21 -2.28 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2r8y s ILE 42 CO 0.22 0.48 0.39 -0.31 -1.23 0.00 0.00 174.94 174.49 2r8y s TYR 43 N 1.23 3.36 -0.03 3.97 1.51 -0.81 -4.98 117.35 121.59 2r8y s TYR 43 Ca 0.03 0.58 0.05 0.00 -1.01 0.00 0.00 57.07 56.72 2r8y s TYR 43 Cb -0.14 -2.52 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 2r8y s TYR 43 CO -0.05 -0.03 -0.18 -1.64 -1.11 0.00 0.00 175.55 172.55 2r8y s MET 44 N 1.38 1.73 0.34 -0.62 -1.94 -1.26 -1.36 119.30 117.57 2r8y s MET 44 Ca 0.18 -0.64 0.09 0.00 -1.71 0.00 0.00 55.69 53.62 2r8y s MET 44 Cb -0.15 -1.55 -0.06 0.00 2.01 0.00 0.00 34.83 35.09 2r8y s MET 44 CO 0.08 0.30 -0.03 0.20 -0.01 0.00 0.00 175.02 175.56 2r8y s GLY 45 N -0.12 2.09 0.09 -0.03 0.00 -0.37 -4.98 107.32 104.00 2r8y s GLY 45 Ca -0.00 -1.99 0.21 0.00 0.00 0.00 0.00 44.72 42.94 2r8y s GLY 45 CO 0.01 -1.94 1.66 0.70 0.00 0.00 0.00 173.10 173.54 2r8y n ASN 46 N -0.89 0.28 -1.68 1.64 3.02 -1.26 -1.72 115.26 114.64 2r8y n ASN 46 Ca -0.04 0.55 0.01 0.00 -0.03 0.00 0.00 54.58 55.07 2r8y n ASN 46 Cb 0.62 -0.62 0.32 0.00 -0.61 0.00 0.00 39.78 39.50 2r8y n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2r8y n ASN 47 N -1.79 4.80 0.00 6.41 5.03 -1.26 -4.92 115.26 123.53 2r8y n ASN 47 Ca 0.04 -3.12 0.00 0.00 0.87 0.00 0.00 54.58 52.37 2r8y n ASN 47 Cb 0.25 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 2r8y n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r8y n GLY 48 N -0.05 0.64 3.74 7.41 0.00 -0.70 -5.01 105.19 111.21 2r8y n GLY 48 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2r8y n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r8y s GLU 49 N -0.23 2.64 -0.00 1.61 8.01 -1.25 -4.77 118.70 124.70 2r8y s GLU 49 Ca 0.00 2.03 0.02 0.00 0.01 0.00 0.00 54.97 57.03 2r8y s GLU 49 Cb 0.00 -1.87 -0.00 0.00 -4.31 0.00 0.00 34.13 27.94 2r8y s GLU 49 CO 0.00 -1.52 -0.05 -2.00 0.01 0.00 0.00 175.26 171.70 2r8y s GLU 50 N -3.35 0.44 0.12 1.61 2.12 -1.26 -1.23 118.70 117.14 2r8y s GLU 50 Ca 0.81 -0.19 0.06 0.00 0.36 0.00 0.00 54.97 56.02 2r8y s GLU 50 Cb -0.37 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 2r8y s GLU 50 CO 0.39 0.11 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.56 2r8y s LEU 51 N -0.12 2.38 0.02 2.70 1.43 -0.46 -5.00 118.68 119.63 2r8y s LEU 51 Ca 0.02 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2r8y s LEU 51 Cb -0.02 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 2r8y s LEU 51 CO -0.00 -0.10 -0.03 -0.75 0.23 0.00 0.00 176.35 175.69 2r8y s LYS 52 N -2.45 0.30 -0.20 1.70 2.20 -1.26 -1.93 119.74 118.11 2r8y s LYS 52 Ca 0.08 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 2r8y s LYS 52 Cb -0.06 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 2r8y s LYS 52 CO 0.03 -0.02 -0.01 0.00 -0.36 0.00 0.00 175.35 175.00 2r8y s ALA 53 N -1.17 3.00 0.27 3.13 0.00 -1.26 -5.09 121.76 120.64 2r8y s ALA 53 Ca -0.12 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.93 2r8y s ALA 53 Cb -0.08 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2r8y s ALA 53 CO -0.01 -0.15 0.12 -0.06 0.00 0.00 0.00 175.76 175.67 2r8y s PHE 54 N 0.99 2.90 -0.19 0.00 0.40 -1.26 -4.35 117.98 116.46 2r8y s PHE 54 Ca 0.01 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2r8y s PHE 54 Cb -0.14 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 2r8y s PHE 54 CO 0.01 0.52 -0.02 1.21 0.70 0.00 0.00 175.22 177.65 2r8y s ASN 55 N -3.79 4.71 0.54 1.36 3.04 -1.26 -5.00 114.94 114.54 2r8y s ASN 55 Ca 0.33 -0.23 0.21 0.00 0.04 0.00 0.00 52.86 53.22 2r8y s ASN 55 Cb -0.07 -1.80 1.42 0.00 -1.54 0.00 0.00 41.25 39.27 2r8y s ASN 55 CO 0.23 0.07 2.14 -0.37 -3.04 0.00 0.00 177.10 176.13 2r8y h VAL 56 N 5.40 0.83 -0.70 -5.21 -1.51 -1.93 -1.86 116.25 111.27 2r8y h VAL 56 Ca -0.36 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.08 2r8y h VAL 56 Cb 1.18 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 2r8y h VAL 56 CO 0.61 0.00 0.31 -0.09 -1.23 0.00 0.00 177.57 177.17 2r8y h ARG 57 N 0.00 1.01 -0.28 5.19 2.43 -1.94 -0.60 114.38 120.19 2r8y h ARG 57 Ca 0.05 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 2r8y h ARG 57 Cb 0.20 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2r8y h ARG 57 CO -0.00 0.80 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.63 2r8y h ASP 58 N 1.00 0.64 -0.69 -3.80 3.32 -1.71 -2.82 116.42 112.37 2r8y h ASP 58 Ca 0.24 -0.44 0.15 0.00 0.02 0.00 0.00 57.03 57.00 2r8y h ASP 58 Cb 0.14 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 39.39 2r8y h ASP 58 CO -0.03 0.94 -0.00 1.23 -1.72 0.00 0.00 179.24 179.66 2r8y h GLY 59 N 0.35 0.74 1.00 2.75 0.00 -0.94 0.19 103.07 107.17 2r8y h GLY 59 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2r8y h GLY 59 CO 0.05 -0.24 0.39 -1.82 0.00 0.00 0.00 176.54 174.91 2r8y h TYR 60 N 0.11 0.76 -0.48 5.60 5.03 -1.00 -0.60 116.97 126.39 2r8y h TYR 60 Ca 0.37 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.70 2r8y h TYR 60 Cb 0.62 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 2r8y h TYR 60 CO -0.40 0.49 0.31 0.78 -1.32 0.00 0.00 178.16 178.02 2r8y h GLY 61 N 0.81 0.68 1.04 1.82 0.00 -1.09 -0.56 103.07 105.78 2r8y h GLY 61 Ca 0.22 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2r8y h GLY 61 CO -0.05 0.23 0.07 -2.22 0.00 0.00 0.00 176.54 174.57 2r8y h ILE 62 N 0.63 1.26 -0.63 2.60 2.04 -0.72 -0.53 117.51 122.16 2r8y h ILE 62 Ca 0.18 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2r8y h ILE 62 Cb -0.04 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2r8y h ILE 62 CO -0.05 0.38 0.35 0.03 0.00 0.00 0.00 178.15 178.86 2r8y h ARG 63 N 0.90 0.87 -0.33 2.37 2.47 -0.95 -0.58 114.38 119.13 2r8y h ARG 63 Ca 0.18 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2r8y h ARG 63 Cb 0.47 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2r8y h ARG 63 CO 0.02 0.65 0.19 0.00 0.56 0.00 0.00 179.97 181.38 2r8y h ALA 65 N 1.06 0.29 -0.14 0.00 0.00 -0.92 -1.99 119.26 117.57 2r8y h ALA 65 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r8y h ALA 65 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2r8y h ALA 65 CO -0.02 -0.13 0.01 -0.07 0.00 0.00 0.00 179.25 179.04 2r8y h LEU 66 N 0.22 0.17 -1.76 0.00 3.38 -1.08 -1.41 115.31 114.82 2r8y h LEU 66 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2r8y h LEU 66 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2r8y h LEU 66 CO -0.01 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.07 2r8y n THR 67 N -4.43 0.42 -1.90 0.22 -2.24 -0.88 -4.08 114.28 101.39 2r8y n THR 67 Ca -0.01 -0.58 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 2r8y n THR 67 Cb 0.14 0.63 0.12 0.00 -2.10 0.00 0.00 70.33 69.13 2r8y n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r8y n SER 68 N 0.95 2.68 -3.28 3.42 7.64 -0.63 -4.97 113.62 119.43 2r8y n SER 68 Ca 0.18 -3.56 -0.23 0.00 1.01 0.00 0.00 58.87 56.27 2r8y n SER 68 Cb 0.47 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 63.28 2r8y n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2r8y n ASP 69 N -0.80 -6.21 -3.98 6.43 4.64 -1.20 -4.97 116.55 110.46 2r8y n ASP 69 Ca 0.25 -0.42 -0.30 0.00 -1.38 0.00 0.00 54.79 52.94 2r8y n ASP 69 Cb 0.83 -4.92 -0.16 0.00 -1.04 0.00 0.00 41.12 35.83 2r8y n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2r8y s ILE 70 N -3.25 1.51 0.67 5.18 1.01 -0.65 -4.81 121.20 120.85 2r8y s ILE 70 Ca 0.46 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 2r8y s ILE 70 Cb -0.20 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2r8y s ILE 70 CO 0.57 0.25 1.06 -1.61 0.00 0.00 0.00 174.94 175.20 2r8y s GLU 71 N 1.47 3.08 -0.06 2.79 0.41 -0.16 -3.31 118.70 122.92 2r8y s GLU 71 Ca 0.01 0.99 0.01 0.00 -0.41 0.00 0.00 54.97 55.57 2r8y s GLU 71 Cb -0.15 -2.01 0.02 0.00 -1.78 0.00 0.00 34.13 30.21 2r8y s GLU 71 CO -0.09 -0.99 -0.05 0.08 -0.49 0.00 0.00 175.26 173.72 2r8y s VAL 72 N -2.93 0.65 0.18 2.63 1.01 -1.26 -0.24 120.40 120.43 2r8y s VAL 72 Ca 0.59 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.48 2r8y s VAL 72 Cb -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2r8y s VAL 72 CO 0.51 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.73 2r8y s ALA 73 N 1.08 1.81 -0.05 5.51 0.00 0.02 -4.25 121.76 125.88 2r8y s ALA 73 Ca -0.08 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.37 2r8y s ALA 73 Cb -0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 2r8y s ALA 73 CO -0.01 0.05 -0.18 0.42 0.00 0.00 0.00 175.76 176.04 2r8y s ILE 74 N -2.85 1.49 -0.12 0.00 1.01 0.08 -1.19 121.20 119.62 2r8y s ILE 74 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2r8y s ILE 74 Cb -0.01 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.20 2r8y s ILE 74 CO 0.05 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 174.68 2r8y s ILE 75 N 0.08 1.28 0.03 2.92 1.01 -0.87 -0.55 121.20 125.10 2r8y s ILE 75 Ca -0.05 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2r8y s ILE 75 Cb -0.12 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2r8y s ILE 75 CO 0.03 0.41 -0.07 0.28 0.00 0.00 0.00 174.94 175.59 2r8y s THR 76 N 1.50 0.46 0.18 2.92 -1.32 0.30 -4.27 115.64 115.41 2r8y s THR 76 Ca 0.03 -0.79 0.05 0.00 -1.21 0.00 0.00 61.69 59.77 2r8y s THR 76 Cb -0.13 -0.50 -0.13 0.00 -1.51 0.00 0.00 72.50 70.23 2r8y s THR 76 CO -0.08 -0.23 1.42 1.23 -2.21 0.00 0.00 174.62 174.74 2r8y h GLY 77 N 4.99 0.12 -0.91 6.08 0.00 -1.86 -1.02 103.07 110.48 2r8y h GLY 77 Ca -0.33 -0.21 -0.47 0.00 0.00 0.00 0.00 47.33 46.32 2r8y h GLY 77 CO 0.44 0.19 0.33 0.50 0.00 0.00 0.00 176.54 177.99 2r8y s ARG 78 N -3.21 2.21 -0.03 4.80 0.52 -1.26 -3.43 118.95 118.54 2r8y s ARG 78 Ca -0.02 0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2r8y s ARG 78 Cb 0.11 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.55 2r8y s ARG 78 CO 0.81 -1.35 0.02 0.21 0.02 0.00 0.00 175.30 175.02 2r8y s LYS 79 N -5.39 0.14 -0.24 3.54 2.20 -1.26 -0.45 119.74 118.27 2r8y s LYS 79 Ca 0.60 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 56.19 2r8y s LYS 79 Cb -0.11 -0.46 0.06 0.00 -1.51 0.00 0.00 37.83 35.81 2r8y s LYS 79 CO 0.47 -0.21 0.63 0.00 -0.36 0.00 0.00 175.35 175.89 2r8y s ALA 80 N 1.40 -1.57 0.32 3.13 0.00 -1.26 -4.97 121.76 118.81 2r8y s ALA 80 Ca -0.05 1.83 0.04 0.00 0.00 0.00 0.00 51.96 53.79 2r8y s ALA 80 Cb -0.13 -1.07 0.66 0.00 0.00 0.00 0.00 23.12 22.58 2r8y s ALA 80 CO -0.03 -0.31 1.87 -0.22 0.00 0.00 0.00 175.76 177.08 2r8y h LYS 81 N 5.39 0.85 -0.79 0.00 1.63 -2.01 -2.39 116.57 119.26 2r8y h LYS 81 Ca -0.29 -0.05 0.17 0.00 -0.85 0.00 0.00 60.65 59.63 2r8y h LYS 81 Cb 1.17 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.56 2r8y h LYS 81 CO 0.12 0.56 0.53 1.37 -3.45 0.00 0.00 179.45 178.58 2r8y h LEU 82 N 0.88 0.36 -0.35 5.20 8.10 -1.96 -1.00 115.31 126.54 2r8y h LEU 82 Ca 0.44 0.03 -0.18 0.00 0.11 0.00 0.00 57.88 58.28 2r8y h LEU 82 Cb 0.50 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2r8y h LEU 82 CO -0.21 0.17 -0.51 0.58 -4.11 0.00 0.00 178.44 174.36 2r8y h VAL 83 N 0.37 1.28 -0.62 0.15 2.07 -1.85 -1.31 116.25 116.34 2r8y h VAL 83 Ca 0.39 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 66.27 2r8y h VAL 83 Cb 0.99 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 2r8y h VAL 83 CO -0.12 0.55 0.33 -0.33 0.02 0.00 0.00 177.57 178.02 2r8y h GLU 84 N 0.67 0.60 -0.85 1.57 5.08 -1.26 -1.12 114.58 119.26 2r8y h GLU 84 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2r8y h GLU 84 Cb 1.11 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2r8y h GLU 84 CO 0.11 0.39 0.46 -0.44 -1.00 0.00 0.00 179.01 178.54 2r8y h ASP 85 N 0.61 1.07 -0.49 1.42 3.32 -1.05 -1.08 116.42 120.22 2r8y h ASP 85 Ca 0.28 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2r8y h ASP 85 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2r8y h ASP 85 CO -0.19 0.86 0.14 -0.09 -1.72 0.00 0.00 179.24 178.25 2r8y h ARG 86 N 1.19 0.76 -0.96 3.56 9.65 -0.84 -1.54 114.38 126.20 2r8y h ARG 86 Ca 0.30 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2r8y h ARG 86 Cb 0.04 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 2r8y h ARG 86 CO -0.05 0.72 0.64 0.00 2.80 0.00 0.00 179.97 184.08 2r8y h ALA 88 N 1.39 0.93 -0.68 0.00 0.00 -0.89 0.22 119.26 120.24 2r8y h ALA 88 Ca 0.35 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2r8y h ALA 88 Cb -0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.31 2r8y h ALA 88 CO -0.08 0.53 0.39 1.15 0.00 0.00 0.00 179.25 181.24 2r8y h THR 89 N 1.01 1.00 -0.00 0.00 2.02 -1.02 -3.13 112.91 112.80 2r8y h THR 89 Ca 0.24 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2r8y h THR 89 Cb 0.17 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2r8y h THR 89 CO -0.02 0.13 -0.56 0.18 0.37 0.00 0.00 175.52 175.62 2r8y n LEU 90 N -4.75 0.80 -0.59 2.58 4.77 -0.92 -4.95 117.00 113.94 2r8y n LEU 90 Ca 0.08 -0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2r8y n LEU 90 Cb 0.15 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2r8y n LEU 90 CO 0.30 0.18 -0.07 0.61 -1.33 0.00 0.00 177.39 177.08 2r8y n GLY 91 N 1.47 0.35 3.70 -0.72 0.00 0.62 -4.75 105.19 105.86 2r8y n GLY 91 Ca 0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2r8y n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8y s ILE 92 N -2.26 4.87 -0.59 -0.61 1.01 -0.26 -4.95 121.20 118.41 2r8y s ILE 92 Ca 0.00 1.91 0.05 0.00 0.00 0.00 0.00 60.65 62.62 2r8y s ILE 92 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2r8y s ILE 92 CO 0.00 0.11 0.58 0.35 0.00 0.00 0.00 174.94 175.98 2r8y n THR 93 N 4.18 0.00 -3.92 2.92 -2.24 -1.26 -4.48 114.28 109.48 2r8y n THR 93 Ca 0.06 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 2r8y n THR 93 Cb 0.50 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.69 2r8y n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r8y s HIS 94 N -0.64 3.32 -0.11 4.78 3.76 -1.26 -5.07 115.29 120.08 2r8y s HIS 94 Ca 0.05 -3.05 0.02 0.00 -0.15 0.00 0.00 55.06 51.93 2r8y s HIS 94 Cb 0.04 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.83 2r8y s HIS 94 CO 0.09 -0.80 -0.16 -1.17 -0.85 0.00 0.00 174.74 171.85 2r8y s LEU 95 N -0.02 1.77 -0.21 0.89 2.96 -1.26 -0.74 118.68 122.06 2r8y s LEU 95 Ca 0.16 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2r8y s LEU 95 Cb -0.24 -1.12 0.04 0.00 0.50 0.00 0.00 46.19 45.38 2r8y s LEU 95 CO -0.02 0.03 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.62 2r8y s TYR 96 N 0.91 2.62 0.34 5.38 1.51 0.28 -4.98 117.35 123.42 2r8y s TYR 96 Ca -0.08 -1.75 0.09 0.00 -1.01 0.00 0.00 57.07 54.32 2r8y s TYR 96 Cb -0.15 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.92 2r8y s TYR 96 CO -0.01 -0.78 -0.04 -0.65 -1.11 0.00 0.00 175.55 172.97 2r8y s GLN 97 N 1.33 1.97 -1.50 -0.62 -0.21 -1.26 -0.54 119.66 118.83 2r8y s GLN 97 Ca -0.02 -1.82 0.00 0.00 0.02 0.00 0.00 55.36 53.54 2r8y s GLN 97 Cb -0.17 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.00 2r8y s GLN 97 CO -0.08 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 2r8y n GLY 98 N -0.88 0.18 2.99 3.09 0.00 0.40 -4.92 105.19 106.05 2r8y n GLY 98 Ca -0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2r8y n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r8y s GLN 99 N -4.46 1.47 0.00 1.61 2.00 -0.42 -4.94 119.66 114.92 2r8y s GLN 99 Ca 0.00 -1.69 0.22 0.00 -2.00 0.00 0.00 55.36 51.89 2r8y s GLN 99 Cb 0.00 -3.00 -0.28 0.00 0.80 0.00 0.00 33.01 30.53 2r8y s GLN 99 CO 0.00 -0.89 0.59 0.43 -0.50 0.00 0.00 175.29 174.92 2r8y n SER 100 N 4.36 0.18 -4.45 6.67 7.64 -1.26 -3.38 113.62 123.38 2r8y n SER 100 Ca 0.01 -0.02 -0.44 0.00 1.01 0.00 0.00 58.87 59.43 2r8y n SER 100 Cb 0.42 1.71 -0.02 0.00 -1.01 0.00 0.00 64.21 65.30 2r8y n SER 100 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2r8y s ASN 101 N -4.53 6.69 0.52 6.43 2.47 -1.26 -4.88 114.94 120.38 2r8y s ASN 101 Ca -0.06 -2.19 0.30 0.00 0.42 0.00 0.00 52.86 51.34 2r8y s ASN 101 Cb 0.14 -2.39 1.11 0.00 -1.45 0.00 0.00 41.25 38.65 2r8y s ASN 101 CO 0.89 -1.01 1.89 0.11 -3.72 0.00 0.00 177.10 175.26 2r8y h LYS 102 N 8.58 0.00 -0.09 0.43 1.57 -1.85 -2.75 116.57 122.46 2r8y h LYS 102 Ca 0.18 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2r8y h LYS 102 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 2r8y h LYS 102 CO 1.12 0.03 0.08 -0.07 -0.57 0.00 0.00 179.45 180.04 2r8y h LEU 103 N 0.00 0.00 0.07 2.94 3.38 -1.94 -1.56 115.31 118.20 2r8y h LEU 103 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r8y h LEU 103 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2r8y h LEU 103 CO 0.00 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 178.90 2r8y h ILE 104 N 0.00 1.16 -0.69 1.22 2.04 -1.92 -1.55 117.51 117.77 2r8y h ILE 104 Ca 0.04 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 2r8y h ILE 104 Cb 0.21 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2r8y h ILE 104 CO -0.00 0.21 0.22 0.00 0.00 0.00 0.00 178.15 178.58 2r8y h ALA 105 N 0.40 1.09 -0.68 1.87 0.00 -1.69 -2.44 119.26 117.81 2r8y h ALA 105 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2r8y h ALA 105 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2r8y h ALA 105 CO 0.02 0.63 0.41 0.35 0.00 0.00 0.00 179.25 180.65 2r8y h PHE 106 N 1.02 0.89 -0.11 0.00 3.04 -1.24 -0.64 116.94 119.91 2r8y h PHE 106 Ca 0.23 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 2r8y h PHE 106 Cb 0.27 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 2r8y h PHE 106 CO 0.02 0.60 0.02 0.77 -2.02 0.00 0.00 178.31 177.71 2r8y h SER 107 N 0.92 0.18 -0.68 0.41 0.02 -1.10 -1.93 113.55 111.37 2r8y h SER 107 Ca 0.24 -0.25 0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2r8y h SER 107 Cb -0.03 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 2r8y h SER 107 CO -0.05 0.38 0.28 -0.78 -1.14 0.00 0.00 176.83 175.53 2r8y h ASP 108 N -0.04 0.30 0.07 3.07 3.58 -1.23 -1.10 116.42 121.07 2r8y h ASP 108 Ca 0.03 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2r8y h ASP 108 Cb 0.28 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2r8y h ASP 108 CO 0.00 0.16 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.42 2r8y h LEU 109 N 0.47 -0.08 -1.02 2.28 3.38 -0.97 0.11 115.31 119.48 2r8y h LEU 109 Ca 0.35 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2r8y h LEU 109 Cb 0.45 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2r8y h LEU 109 CO -0.33 0.05 0.66 -0.07 0.09 0.00 0.00 178.44 178.83 2r8y h LEU 110 N -0.20 1.11 0.19 1.67 3.38 -1.09 -1.19 115.31 119.18 2r8y h LEU 110 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2r8y h LEU 110 Cb 0.17 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2r8y h LEU 110 CO 0.02 0.78 -0.09 -0.33 0.09 0.00 0.00 178.44 178.90 2r8y h GLU 111 N 1.30 -0.25 -0.66 1.13 5.08 -1.00 0.15 114.58 120.33 2r8y h GLU 111 Ca 0.38 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2r8y h GLU 111 Cb -0.06 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2r8y h GLU 111 CO -0.11 0.03 0.36 0.87 -1.00 0.00 0.00 179.01 179.16 2r8y h LYS 112 N -0.52 0.64 -0.01 2.33 1.57 -0.51 -2.92 116.57 117.13 2r8y h LYS 112 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2r8y h LYS 112 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2r8y h LYS 112 CO 0.04 0.42 -0.44 1.28 -0.57 0.00 0.00 179.45 180.18 2r8y n LEU 113 N -4.81 1.64 -3.75 2.94 4.77 -0.47 -4.98 117.00 112.34 2r8y n LEU 113 Ca 0.08 -0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 55.25 2r8y n LEU 113 Cb 0.18 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2r8y n LEU 113 CO 0.28 0.31 -0.11 0.00 -1.33 0.00 0.00 177.39 176.54 2r8y n ALA 114 N -0.32 -2.11 -2.59 -1.18 0.00 0.01 -5.00 120.51 109.31 2r8y n ALA 114 Ca 0.10 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 2r8y n ALA 114 Cb 0.42 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 2r8y n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2r8y s ILE 115 N -3.71 2.45 0.39 0.00 2.07 -1.01 -5.05 121.20 116.34 2r8y s ILE 115 Ca 0.09 -0.94 -0.24 0.00 -1.41 0.00 0.00 60.65 58.15 2r8y s ILE 115 Cb -0.03 -1.92 -0.09 0.00 0.13 0.00 0.00 42.46 40.56 2r8y s ILE 115 CO 0.84 0.57 1.05 0.00 -1.91 0.00 0.00 174.94 175.49 2r8y s ALA 116 N -0.39 3.11 0.52 1.50 0.00 -1.26 -4.75 121.76 120.49 2r8y s ALA 116 Ca 0.03 0.72 0.21 0.00 0.00 0.00 0.00 51.96 52.92 2r8y s ALA 116 Cb -0.12 -3.28 1.33 0.00 0.00 0.00 0.00 23.12 21.05 2r8y s ALA 116 CO 0.02 -0.21 2.05 -1.00 0.00 0.00 0.00 175.76 176.61 2r8y h PRO 117 N 2.58 0.03 0.00 0.00 0.13 -1.96 -0.89 132.00 131.90 2r8y h PRO 117 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2r8y h PRO 117 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2r8y h PRO 117 CO 0.63 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 2r8y n GLU 118 N -4.44 0.10 -0.76 0.86 0.00 -1.26 -1.13 120.64 114.00 2r8y n GLU 118 Ca 0.05 0.33 0.07 0.00 0.00 0.00 0.00 57.16 57.62 2r8y n GLU 118 Cb 0.42 -1.68 0.36 0.00 0.00 0.00 0.00 31.44 30.54 2r8y n GLU 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r8y n ASN 119 N -1.86 5.15 -4.29 -1.84 3.02 -0.34 -4.08 115.26 111.02 2r8y n ASN 119 Ca 0.03 -2.97 -0.32 0.00 -0.03 0.00 0.00 54.58 51.29 2r8y n ASN 119 Cb 0.20 -0.64 -0.16 0.00 -0.61 0.00 0.00 39.78 38.57 2r8y n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2r8y s VAL 120 N -2.80 2.20 0.07 2.41 1.01 -0.83 -0.50 120.40 121.95 2r8y s VAL 120 Ca 0.51 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2r8y s VAL 120 Cb 0.40 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2r8y s VAL 120 CO 0.14 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.77 2r8y s ALA 121 N -0.16 3.17 -0.04 5.51 0.00 -0.00 -1.52 121.76 128.72 2r8y s ALA 121 Ca -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2r8y s ALA 121 Cb -0.14 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2r8y s ALA 121 CO 0.04 0.67 -0.03 -0.47 0.00 0.00 0.00 175.76 175.96 2r8y s TYR 122 N -1.20 0.65 -0.23 0.00 5.04 -0.67 -0.43 117.35 120.50 2r8y s TYR 122 Ca 0.22 -0.16 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 2r8y s TYR 122 Cb -0.11 -0.61 -0.01 0.00 0.35 0.00 0.00 41.96 41.57 2r8y s TYR 122 CO 0.14 -0.18 -0.01 0.08 -1.34 0.00 0.00 175.55 174.24 2r8y s VAL 123 N 0.99 3.67 0.34 3.14 1.01 -0.31 -0.76 120.40 128.47 2r8y s VAL 123 Ca -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2r8y s VAL 123 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2r8y s VAL 123 CO -0.01 0.39 0.14 -0.83 0.00 0.00 0.00 175.10 174.80 2r8y s GLY 124 N 1.52 2.22 0.00 4.51 0.00 -0.39 -2.06 107.32 113.12 2r8y s GLY 124 Ca 0.06 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2r8y s GLY 124 CO -0.01 -1.69 0.00 2.09 0.00 0.00 0.00 173.10 173.49 2r8y n ASP 125 N -1.00 0.00 -4.20 1.64 3.85 -1.26 -2.28 116.55 113.30 2r8y n ASP 125 Ca -0.01 -0.43 -0.12 0.00 -0.71 0.00 0.00 54.79 53.52 2r8y n ASP 125 Cb 0.65 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.32 2r8y n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2r8y s ASP 126 N 0.00 0.15 0.46 -1.12 -1.08 -1.26 -0.05 116.67 113.77 2r8y s ASP 126 Ca 0.00 -1.38 0.17 0.00 -0.52 0.00 0.00 52.55 50.82 2r8y s ASP 126 Cb 0.00 0.38 1.08 0.00 -1.46 0.00 0.00 42.92 42.92 2r8y s ASP 126 CO 0.00 -0.84 2.00 -0.07 0.52 0.00 0.00 175.17 176.78 2r8y h LEU 127 N 2.63 0.00 -2.22 -1.34 3.38 -1.97 -1.21 115.31 114.57 2r8y h LEU 127 Ca -0.36 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2r8y h LEU 127 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2r8y h LEU 127 CO 0.53 0.18 0.16 -0.29 0.09 0.00 0.00 178.44 179.12 2r8y h ILE 128 N 0.00 0.56 0.00 1.22 6.09 -1.97 -1.59 117.51 121.83 2r8y h ILE 128 Ca -0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2r8y h ILE 128 Cb 0.35 0.87 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 2r8y h ILE 128 CO 0.02 0.00 -0.00 0.44 -3.07 0.00 0.00 178.15 175.54 2r8y h ASP 129 N 0.00 0.00 -0.44 2.19 3.32 -1.61 -3.39 116.42 116.49 2r8y h ASP 129 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2r8y h ASP 129 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2r8y h ASP 129 CO -0.00 0.00 0.26 -0.25 -1.72 0.00 0.00 179.24 177.53 2r8y h TRP 130 N 0.00 0.59 -0.95 4.55 2.91 -1.39 -2.04 115.95 119.62 2r8y h TRP 130 Ca -0.00 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.20 2r8y h TRP 130 Cb 0.87 -0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 29.25 2r8y h TRP 130 CO 0.00 0.43 0.61 -1.35 -1.03 0.00 0.00 178.44 177.09 2r8y h PRO 131 N 0.58 0.59 0.02 2.65 0.11 -1.76 0.38 132.00 134.57 2r8y h PRO 131 Ca 0.16 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 2r8y h PRO 131 Cb 0.02 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.01 2r8y h PRO 131 CO -0.03 0.39 -0.65 0.28 -0.21 0.00 0.00 178.00 177.78 2r8y h VAL 132 N 0.61 1.43 -0.59 3.15 2.07 -1.81 -3.28 116.25 117.83 2r8y h VAL 132 Ca 0.52 -2.14 0.10 0.00 0.82 0.00 0.00 66.70 66.00 2r8y h VAL 132 Cb 1.00 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 2r8y h VAL 132 CO -0.27 0.62 0.40 0.24 0.02 0.00 0.00 177.57 178.58 2r8y h MET 133 N -0.11 0.36 0.00 1.57 2.86 -0.53 -1.57 114.93 117.51 2r8y h MET 133 Ca -0.09 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2r8y h MET 133 Cb 1.37 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 2r8y h MET 133 CO 0.13 0.24 -0.11 1.49 1.06 0.00 0.00 176.91 179.71 2r8y h GLU 134 N 0.37 0.00 0.00 1.72 4.81 -0.34 -3.19 114.58 117.96 2r8y h GLU 134 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2r8y h GLU 134 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2r8y h GLU 134 CO -0.07 0.11 -1.55 1.63 -0.73 0.00 0.00 179.01 178.40 2r8y n LYS 135 N -3.59 0.55 -2.27 1.92 5.02 -0.60 -5.01 118.16 114.18 2r8y n LYS 135 Ca -0.02 -0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 55.91 2r8y n LYS 135 Cb 0.24 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2r8y n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2r8y s VAL 136 N -3.40 4.09 0.19 -0.18 -7.23 -1.17 -4.57 120.40 108.14 2r8y s VAL 136 Ca -0.03 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.34 2r8y s VAL 136 Cb 0.13 -3.62 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2r8y s VAL 136 CO 0.86 -0.70 1.63 1.23 -0.31 0.00 0.00 175.10 177.81 2r8y h GLY 137 N -0.19 1.04 -7.19 2.32 0.00 -0.04 -3.41 103.07 95.60 2r8y h GLY 137 Ca -0.45 -0.82 -0.57 0.00 0.00 0.00 0.00 47.33 45.49 2r8y h GLY 137 CO 0.62 0.75 -0.76 -2.27 0.00 0.00 0.00 176.54 174.88 2r8y s LEU 138 N -9.15 1.93 -0.05 3.11 2.96 -0.99 -4.90 118.68 111.59 2r8y s LEU 138 Ca -0.11 -1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 52.21 2r8y s LEU 138 Cb 0.13 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 2r8y s LEU 138 CO 0.85 -0.38 0.51 -0.94 -1.32 0.00 0.00 176.35 175.07 2r8y s SER 139 N 1.68 6.83 -0.06 3.68 1.04 -1.26 -1.67 113.70 123.93 2r8y s SER 139 Ca 0.06 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.50 2r8y s SER 139 Cb -0.17 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.65 2r8y s SER 139 CO -0.21 0.12 -0.12 -0.69 0.98 0.00 0.00 173.24 173.32 2r8y s VAL 140 N -0.09 1.13 -0.12 5.02 1.01 0.06 -1.17 120.40 126.24 2r8y s VAL 140 Ca 0.27 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2r8y s VAL 140 Cb -0.17 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2r8y s VAL 140 CO 0.14 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.59 2r8y s ALA 141 N 0.66 3.25 0.66 5.51 0.00 -0.75 -1.27 121.76 129.82 2r8y s ALA 141 Ca -0.15 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 2r8y s ALA 141 Cb -0.16 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 2r8y s ALA 141 CO 0.04 0.44 1.11 0.14 0.00 0.00 0.00 175.76 177.49 2r8y s VAL 142 N -0.42 3.22 0.37 0.00 -7.23 -0.97 -1.20 120.40 114.17 2r8y s VAL 142 Ca 0.08 0.57 0.17 0.00 -1.81 0.00 0.00 61.98 60.99 2r8y s VAL 142 Cb -0.12 -3.09 0.37 0.00 0.56 0.00 0.00 36.38 34.09 2r8y s VAL 142 CO 0.02 -0.35 1.70 0.00 -0.31 0.00 0.00 175.10 176.16 2r8y h ALA 143 N 0.04 2.11 -0.38 1.32 0.00 -1.56 -0.74 119.26 120.05 2r8y h ALA 143 Ca -0.47 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2r8y h ALA 143 Cb 1.25 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 2r8y h ALA 143 CO 0.54 -0.64 -0.07 -0.40 0.00 0.00 0.00 179.25 178.68 2r8y n ASP 144 N -4.84 2.55 -4.59 0.00 5.75 -1.26 -5.00 116.55 109.15 2r8y n ASP 144 Ca 0.30 -3.80 -0.29 0.00 -0.01 0.00 0.00 54.79 50.99 2r8y n ASP 144 Cb 0.97 -0.65 0.21 0.00 -1.03 0.00 0.00 41.12 40.62 2r8y n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r8y s ALA 145 N -3.27 0.47 0.21 2.12 0.00 -0.29 -4.92 121.76 116.08 2r8y s ALA 145 Ca 0.45 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 2r8y s ALA 145 Cb 0.41 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 20.10 2r8y s ALA 145 CO -0.00 -3.25 1.33 1.58 0.00 0.00 0.00 175.76 175.42 2r8y n HIS 146 N -4.53 1.86 0.13 0.00 -0.00 0.93 -4.83 115.22 108.78 2r8y n HIS 146 Ca 0.06 0.51 0.18 0.00 0.46 0.00 0.00 57.72 58.94 2r8y n HIS 146 Cb 0.54 -2.40 0.76 0.00 -0.12 0.00 0.00 29.99 28.77 2r8y n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2r8y h PRO 147 N 4.04 0.00 0.00 1.57 0.11 -1.91 0.29 132.00 136.10 2r8y h PRO 147 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2r8y h PRO 147 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2r8y h PRO 147 CO 0.75 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.27 2r8y h LEU 148 N 0.00 0.00 0.14 2.35 3.38 -1.98 -3.29 115.31 115.91 2r8y h LEU 148 Ca 0.15 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.81 2r8y h LEU 148 Cb 0.74 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.52 2r8y h LEU 148 CO -0.00 0.20 -1.28 0.25 0.09 0.00 0.00 178.44 177.70 2r8y h LEU 149 N 0.00 0.87 -0.65 1.67 5.85 -1.29 -3.40 115.31 118.36 2r8y h LEU 149 Ca -0.00 -0.82 0.11 0.00 0.84 0.00 0.00 57.88 58.01 2r8y h LEU 149 Cb 1.02 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 2r8y h LEU 149 CO 0.03 1.62 -0.36 0.40 -0.34 0.00 0.00 178.44 179.79 2r8y h ILE 150 N 0.26 0.13 0.00 4.05 2.04 -1.59 -1.21 117.51 121.18 2r8y h ILE 150 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2r8y h ILE 150 Cb 1.96 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2r8y h ILE 150 CO 0.24 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.74 2r8y n PRO 151 N -5.43 0.17 0.11 2.37 -0.02 -1.26 -2.74 135.00 128.20 2r8y n PRO 151 Ca 0.05 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2r8y n PRO 151 Cb 0.36 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2r8y n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r8y h ARG 152 N 0.00 0.00 -7.14 -0.52 3.08 -1.46 -3.47 114.38 104.87 2r8y h ARG 152 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2r8y h ARG 152 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2r8y h ARG 152 CO 0.00 0.61 0.37 0.00 -1.07 0.00 0.00 179.97 179.87 2r8y s ALA 153 N -2.90 2.98 0.20 0.04 0.00 -1.11 -4.97 121.76 116.00 2r8y s ALA 153 Ca 0.03 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2r8y s ALA 153 Cb 0.08 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.16 2r8y s ALA 153 CO 0.77 -0.24 1.74 -0.44 0.00 0.00 0.00 175.76 177.59 2r8y h ASP 154 N 1.21 1.06 -3.71 0.00 3.45 -1.49 -3.44 116.42 113.50 2r8y h ASP 154 Ca -0.48 -0.20 -0.33 0.00 0.43 0.00 0.00 57.03 56.45 2r8y h ASP 154 Cb 1.19 -0.28 -0.31 0.00 -0.56 0.00 0.00 39.33 39.38 2r8y h ASP 154 CO 0.60 0.98 -0.75 -0.47 -1.57 0.00 0.00 179.24 178.03 2r8y s TYR 155 N -5.43 0.42 -0.20 4.55 5.04 -0.79 -4.92 117.35 116.02 2r8y s TYR 155 Ca -0.12 -0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.38 2r8y s TYR 155 Cb 0.15 -0.36 -0.03 0.00 0.35 0.00 0.00 41.96 42.07 2r8y s TYR 155 CO 0.84 -0.07 0.02 0.08 -1.34 0.00 0.00 175.55 175.08 2r8y s VAL 156 N 0.36 4.15 0.60 3.14 1.01 -1.26 -1.81 120.40 126.60 2r8y s VAL 156 Ca -0.04 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2r8y s VAL 156 Cb -0.07 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2r8y s VAL 156 CO -0.01 0.43 1.16 0.42 0.00 0.00 0.00 175.10 177.10 2r8y s THR 157 N 0.92 2.88 0.20 3.92 -4.23 -0.34 -4.89 115.64 114.10 2r8y s THR 157 Ca 0.02 0.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 2r8y s THR 157 Cb -0.14 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 2r8y s THR 157 CO 0.02 -0.16 1.49 0.03 -0.54 0.00 0.00 174.62 175.46 2r8y h ARG 158 N 0.72 0.30 -5.99 3.99 -0.00 -1.92 -3.11 114.38 108.37 2r8y h ARG 158 Ca -0.49 -0.24 -0.61 0.00 -0.50 0.00 0.00 59.98 58.14 2r8y h ARG 158 Cb 1.28 0.05 -0.05 0.00 0.00 0.00 0.00 29.97 31.24 2r8y h ARG 158 CO 0.55 0.88 -0.27 0.42 0.00 0.00 0.00 179.97 181.55 2r8y s ILE 159 N -3.63 5.13 0.73 2.04 -1.09 -1.26 -4.77 121.20 118.34 2r8y s ILE 159 Ca -0.05 0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 58.84 2r8y s ILE 159 Cb 0.11 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.38 2r8y s ILE 159 CO 0.82 0.46 1.07 0.00 -1.23 0.00 0.00 174.94 176.06 2r8y s ALA 160 N -1.21 2.55 0.27 9.38 0.00 -1.26 -3.42 121.76 128.07 2r8y s ALA 160 Ca 0.26 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 2r8y s ALA 160 Cb -0.15 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 2r8y s ALA 160 CO 0.14 -1.38 1.38 0.41 0.00 0.00 0.00 175.76 176.31 2r8y n GLY 161 N -1.96 0.75 3.12 0.00 0.00 -1.26 -1.77 105.19 104.06 2r8y n GLY 161 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2r8y n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8y n GLY 162 N 1.81 0.75 0.27 -0.02 0.00 -0.81 -3.83 105.19 103.36 2r8y n GLY 162 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 2r8y n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8y n ARG 163 N -2.02 0.85 0.00 1.61 5.12 -0.73 -4.57 116.66 116.92 2r8y n ARG 163 Ca 0.00 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 2r8y n ARG 163 Cb 0.01 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2r8y n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r8y n GLY 164 N 0.23 1.68 0.35 -0.13 0.00 -1.25 -4.84 105.19 101.24 2r8y n GLY 164 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2r8y n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8y h ALA 165 N 0.00 1.28 -0.21 4.61 0.00 -1.72 -1.04 119.26 122.18 2r8y h ALA 165 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2r8y h ALA 165 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2r8y h ALA 165 CO 0.00 0.42 -0.11 0.28 0.00 0.00 0.00 179.25 179.84 2r8y h VAL 166 N 1.13 1.31 -0.77 0.00 2.07 -1.89 -2.32 116.25 115.78 2r8y h VAL 166 Ca 0.39 -1.18 0.14 0.00 0.82 0.00 0.00 66.70 66.88 2r8y h VAL 166 Cb 0.10 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 2r8y h VAL 166 CO -0.15 0.36 0.32 -0.09 0.02 0.00 0.00 177.57 178.03 2r8y h ARG 167 N 0.15 0.45 -0.81 1.57 9.65 -1.78 0.52 114.38 124.13 2r8y h ARG 167 Ca 0.05 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2r8y h ARG 167 Cb 0.61 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 2r8y h ARG 167 CO 0.03 0.30 0.52 1.49 2.80 0.00 0.00 179.97 185.12 2r8y h GLU 168 N 0.47 1.00 -0.27 0.20 4.81 -0.91 0.15 114.58 120.02 2r8y h GLU 168 Ca 0.43 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.47 2r8y h GLU 168 Cb 0.64 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2r8y h GLU 168 CO -0.40 0.66 -0.32 0.28 -0.73 0.00 0.00 179.01 178.50 2r8y h VAL 169 N 1.03 1.30 -0.29 0.32 2.07 -0.85 -1.44 116.25 118.40 2r8y h VAL 169 Ca 0.32 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2r8y h VAL 169 Cb -0.01 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2r8y h VAL 169 CO -0.11 0.48 0.11 0.00 0.02 0.00 0.00 177.57 178.07 2r8y h ASP 171 N 0.25 0.89 0.10 0.00 3.45 -0.65 -1.79 116.42 118.67 2r8y h ASP 171 Ca 0.13 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 2r8y h ASP 171 Cb 0.08 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2r8y h ASP 171 CO -0.12 0.52 -0.05 0.25 -1.57 0.00 0.00 179.24 178.27 2r8y h LEU 172 N 1.00 -0.12 -0.53 1.55 5.85 -0.54 -0.40 115.31 122.13 2r8y h LEU 172 Ca 0.44 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2r8y h LEU 172 Cb 0.34 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2r8y h LEU 172 CO -0.23 0.17 0.33 -0.07 -0.34 0.00 0.00 178.44 178.30 2r8y h LEU 173 N -0.41 0.54 -0.50 2.25 3.38 -1.19 0.02 115.31 119.41 2r8y h LEU 173 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2r8y h LEU 173 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2r8y h LEU 173 CO 0.02 0.38 0.26 -0.07 0.09 0.00 0.00 178.44 179.12 2r8y h LEU 174 N 0.65 0.64 0.04 1.67 3.38 -1.27 -1.23 115.31 119.19 2r8y h LEU 174 Ca 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2r8y h LEU 174 Cb -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2r8y h LEU 174 CO -0.08 0.57 -0.02 0.25 0.09 0.00 0.00 178.44 179.25 2r8y h LEU 175 N 0.67 -0.04 -1.63 1.67 5.85 -0.73 0.24 115.31 121.34 2r8y h LEU 175 Ca 0.17 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2r8y h LEU 175 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2r8y h LEU 175 CO -0.03 0.02 0.37 0.00 -0.34 0.00 0.00 178.44 178.46 2r8y h ALA 176 N 0.85 1.93 -0.49 1.25 0.00 -0.81 -1.54 119.26 120.45 2r8y h ALA 176 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r8y h ALA 176 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2r8y h ALA 176 CO 0.01 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2r8y n GLN 177 N -4.47 2.24 -2.38 0.00 6.02 -0.48 -4.62 117.38 113.68 2r8y n GLN 177 Ca 0.08 -1.91 -0.16 0.00 -0.01 0.00 0.00 57.00 55.00 2r8y n GLN 177 Cb 0.28 -1.43 -0.00 0.00 1.02 0.00 0.00 30.24 30.11 2r8y n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8y n GLY 178 N 1.36 -0.26 0.16 1.08 0.00 -0.58 -4.91 105.19 102.05 2r8y n GLY 178 Ca 0.18 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.01 2r8y n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r8y n LYS 179 N -2.60 1.31 0.08 1.61 5.02 0.77 -4.80 118.16 119.55 2r8y n LYS 179 Ca -0.17 -0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 55.39 2r8y n LYS 179 Cb 0.63 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 2r8y n LYS 179 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2r8y h LEU 180 N 0.80 -0.15 -0.97 -0.35 5.85 -1.82 -2.04 115.31 116.63 2r8y h LEU 180 Ca 0.00 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.68 2r8y h LEU 180 Cb 0.20 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 2r8y h LEU 180 CO 0.00 0.09 0.59 0.44 -0.34 0.00 0.00 178.44 179.22 2r8y h ASP 181 N -0.40 0.81 -0.14 1.25 3.32 -1.91 -2.61 116.42 116.73 2r8y h ASP 181 Ca -0.02 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2r8y h ASP 181 Cb 0.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2r8y h ASP 181 CO 0.03 0.38 0.00 -0.62 -1.72 0.00 0.00 179.24 177.31 2r8y n GLU 182 N -4.71 2.01 -1.96 3.56 -0.58 -1.22 -4.98 120.64 112.77 2r8y n GLU 182 Ca 0.20 -1.87 -0.40 0.00 -0.42 0.00 0.00 57.16 54.66 2r8y n GLU 182 Cb 0.42 -1.41 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 2r8y n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r8y s ALA 183 N -1.56 3.42 -0.02 0.62 0.00 -0.77 -5.02 121.76 118.43 2r8y s ALA 183 Ca 0.27 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.65 2r8y s ALA 183 Cb 0.18 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2r8y s ALA 183 CO 0.26 -0.89 -0.16 0.15 0.00 0.00 0.00 175.76 175.12 2r8y s LYS 184 N -2.10 1.40 0.23 0.00 -0.14 -1.26 -5.05 119.74 112.83 2r8y s LYS 184 Ca 0.54 -0.56 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 2r8y s LYS 184 Cb -0.42 -1.31 0.01 0.00 -1.68 0.00 0.00 37.83 34.43 2r8y s LYS 184 CO 0.55 0.30 0.34 0.41 -0.76 0.00 0.00 175.35 176.20 2r8y n GLY 185 N 2.85 2.34 3.20 -3.33 0.00 -1.26 -3.82 105.19 105.17 2r8y n GLY 185 Ca -0.16 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 2r8y n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r8y s GLN 186 N -2.47 1.62 -1.09 1.61 1.11 -1.26 -5.00 119.66 114.18 2r8y s GLN 186 Ca 0.18 -0.71 -0.16 0.00 0.01 0.00 0.00 55.36 54.68 2r8y s GLN 186 Cb -0.01 -1.56 0.15 0.00 -1.01 0.00 0.00 33.01 30.58 2r8y s GLN 186 CO 0.13 0.42 1.32 0.45 0.01 0.00 0.00 175.29 177.61 2r8y s SER 187 N -0.44 6.87 0.00 5.90 0.15 -1.26 -2.91 113.70 122.01 2r8y s SER 187 Ca 0.07 -2.55 0.00 0.00 0.70 0.00 0.00 55.95 54.17 2r8y s SER 187 Cb -0.08 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2r8y s SER 187 CO -0.01 -0.91 0.16 2.30 1.20 0.00 0.00 173.24 175.99