#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 3.24 0.15 1.96 0.00 -1.26 -1.01 121.76 124.84 2r8y s ALA 9 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.58 2r8y s ALA 9 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2r8y s ALA 9 CO 0.00 -0.32 -0.12 0.95 0.00 0.00 0.00 175.76 176.27 2r8y s THR 10 N 1.18 1.32 -1.49 0.00 -4.23 -1.18 -4.95 115.64 106.30 2r8y s THR 10 Ca 0.53 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2r8y s THR 10 Cb -0.22 -1.78 0.09 0.00 1.34 0.00 0.00 72.50 71.93 2r8y s THR 10 CO 0.27 -0.62 0.96 0.00 -0.54 0.00 0.00 174.62 174.68 2r8y n TYR 12 N -1.26 0.00 0.00 0.00 4.02 -1.26 -5.11 117.16 113.55 2r8y n TYR 12 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2r8y n TYR 12 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 1.00 2.63 3.72 2.72 0.00 0.08 -4.94 105.19 110.39 2r8y n GLY 13 Ca 0.06 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.07 1.93 -4.36 1.61 -0.02 -1.26 -3.09 135.00 128.74 2r8y n PRO 14 Ca 0.00 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 2r8y n PRO 14 Cb 0.00 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 30.90 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 -1.23 1.95 0.77 -1.45 -7.23 -0.18 -4.93 120.40 108.12 2r8y s VAL 15 Ca 0.63 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2r8y s VAL 15 Cb -0.47 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.59 2r8y s VAL 15 CO 0.56 -0.30 1.09 -0.94 -0.31 0.00 0.00 175.10 175.20 2r8y s SER 16 N -2.74 4.56 0.29 4.85 1.04 -1.26 -4.71 113.70 115.73 2r8y s SER 16 Ca 0.18 1.72 -0.00 0.00 0.48 0.00 0.00 55.95 58.33 2r8y s SER 16 Cb -0.06 -2.46 0.43 0.00 0.10 0.00 0.00 66.02 64.03 2r8y s SER 16 CO 0.08 -1.98 1.82 0.00 0.98 0.00 0.00 173.24 174.14 2r8y h ALA 17 N -1.09 1.22 -0.35 5.32 0.00 -1.99 -1.99 119.26 120.38 2r8y h ALA 17 Ca -0.44 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2r8y h ALA 17 Cb 1.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2r8y h ALA 17 CO 0.53 0.53 0.17 0.22 0.00 0.00 0.00 179.25 180.70 2r8y h ASP 18 N 0.74 0.24 -0.21 0.00 3.58 -1.99 0.10 116.42 118.89 2r8y h ASP 18 Ca 0.16 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2r8y h ASP 18 Cb 0.32 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2r8y h ASP 18 CO 0.00 0.18 0.06 0.58 -2.88 0.00 0.00 179.24 177.19 2r8y h VAL 19 N 0.35 1.19 -0.67 2.25 2.07 -1.87 -1.04 116.25 118.53 2r8y h VAL 19 Ca 0.15 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2r8y h VAL 19 Cb 0.07 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2r8y h VAL 19 CO -0.11 0.19 0.42 -0.03 0.02 0.00 0.00 177.57 178.06 2r8y h MET 20 N 0.16 0.90 -0.75 1.57 1.85 -1.18 -0.07 114.93 117.42 2r8y h MET 20 Ca 0.07 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2r8y h MET 20 Cb 0.23 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 2r8y h MET 20 CO -0.00 0.63 0.37 0.00 -0.40 0.00 0.00 176.91 177.50 2r8y h ALA 21 N 1.22 0.96 -0.62 0.39 0.00 -0.70 -1.66 119.26 118.85 2r8y h ALA 21 Ca 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2r8y h ALA 21 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2r8y h ALA 21 CO -0.05 0.52 0.26 0.87 0.00 0.00 0.00 179.25 180.85 2r8y h LYS 22 N 1.05 0.93 0.00 0.00 1.57 -0.63 -2.96 116.57 116.53 2r8y h LYS 22 Ca 0.26 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2r8y h LYS 22 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2r8y h LYS 22 CO -0.03 0.78 -0.33 0.00 -0.57 0.00 0.00 179.45 179.30 2r8y h ALA 23 N 1.10 1.35 -0.42 3.86 0.00 -0.66 -2.84 119.26 121.65 2r8y h ALA 23 Ca 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2r8y h ALA 23 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2r8y h ALA 23 CO -0.02 0.41 0.14 0.93 0.00 0.00 0.00 179.25 180.71 2r8y h GLU 24 N 0.00 0.61 -0.65 0.00 5.08 -1.13 -2.88 114.58 115.61 2r8y h GLU 24 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2r8y h GLU 24 Cb 0.62 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2r8y h GLU 24 CO 0.04 0.53 0.00 0.09 -1.00 0.00 0.00 179.01 178.67 2r8y n ASN 25 N -4.35 4.95 -4.59 1.42 5.03 -1.07 -4.74 115.26 111.91 2r8y n ASN 25 Ca 0.03 -2.76 -0.41 0.00 0.87 0.00 0.00 54.58 52.31 2r8y n ASN 25 Cb 0.17 -0.65 -0.07 0.00 -1.02 0.00 0.00 39.78 38.21 2r8y n ASN 25 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2r8y s ILE 26 N -2.44 4.94 -0.62 2.41 -1.09 -1.09 -4.37 121.20 118.94 2r8y s ILE 26 Ca 0.46 0.74 0.13 0.00 -2.23 0.00 0.00 60.65 59.74 2r8y s ILE 26 Cb 0.35 -4.01 -0.13 0.00 -1.58 0.00 0.00 42.46 37.09 2r8y s ILE 26 CO 0.14 -0.18 0.54 0.54 -1.23 0.00 0.00 174.94 174.75 2r8y n ARG 27 N 5.90 2.79 -3.70 2.79 5.12 -0.24 -4.85 116.66 124.48 2r8y n ARG 27 Ca -0.02 -0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.72 2r8y n ARG 27 Cb 0.49 -1.10 -0.15 0.00 -1.16 0.00 0.00 32.46 30.53 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 -2.57 0.24 -0.30 0.55 2.96 -0.99 -1.32 118.68 117.25 2r8y s LEU 28 Ca 0.05 0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2r8y s LEU 28 Cb 0.10 0.26 0.02 0.00 0.50 0.00 0.00 46.19 47.07 2r8y s LEU 28 CO 0.51 -0.21 0.07 -0.22 -1.32 0.00 0.00 176.35 175.18 2r8y s LEU 29 N 1.87 3.92 -0.15 -0.68 2.96 0.13 -0.63 118.68 126.10 2r8y s LEU 29 Ca -0.01 -0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 52.94 2r8y s LEU 29 Cb -0.12 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2r8y s LEU 29 CO -0.05 -0.23 0.16 -0.63 -1.32 0.00 0.00 176.35 174.28 2r8y s ILE 30 N 1.45 5.42 -0.06 6.68 1.01 0.93 -0.67 121.20 135.96 2r8y s ILE 30 Ca 0.01 0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2r8y s ILE 30 Cb -0.18 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 2r8y s ILE 30 CO 0.02 0.52 -0.20 -0.76 0.00 0.00 0.00 174.94 174.52 2r8y s LEU 31 N -0.29 1.96 0.81 2.97 1.43 0.77 -1.51 118.68 124.82 2r8y s LEU 31 Ca 0.13 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2r8y s LEU 31 Cb -0.12 -1.13 0.08 0.00 0.03 0.00 0.00 46.19 45.05 2r8y s LEU 31 CO 0.02 0.17 1.09 -0.62 0.23 0.00 0.00 176.35 177.23 2r8y s ASP 32 N 0.09 4.25 -0.03 2.29 3.68 -0.97 -2.21 116.67 123.77 2r8y s ASP 32 Ca -0.07 1.64 -0.03 0.00 2.13 0.00 0.00 52.55 56.22 2r8y s ASP 32 Cb -0.13 -2.35 -0.01 0.00 -1.45 0.00 0.00 42.92 38.97 2r8y s ASP 32 CO 0.04 -2.17 -0.05 0.52 0.13 0.00 0.00 175.17 173.63 2r8y n VAL 33 N -3.59 0.23 -2.40 1.11 0.31 -1.26 -3.78 118.33 108.95 2r8y n VAL 33 Ca 0.08 0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 64.43 2r8y n VAL 33 Cb 0.54 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.82 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 -4.28 6.60 0.00 4.52 1.01 -1.26 -0.80 116.67 122.46 2r8y s ASP 34 Ca -0.04 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.36 2r8y s ASP 34 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2r8y s ASP 34 CO 0.06 -1.15 0.00 0.61 0.21 0.00 0.00 175.17 174.90 2r8y n GLY 35 N 4.48 0.58 0.98 0.21 0.00 -0.85 -4.71 105.19 105.88 2r8y n GLY 35 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.86 1.61 0.31 -0.67 -4.21 118.33 115.20 2r8y n VAL 36 Ca 0.00 0.31 0.14 0.00 -0.01 0.00 0.00 64.34 64.78 2r8y n VAL 36 Cb 0.00 -1.50 0.53 0.00 -0.91 0.00 0.00 33.84 31.96 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 -3.32 0.31 -4.27 7.52 4.77 0.02 -0.84 117.00 121.20 2r8y n LEU 37 Ca -0.01 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.34 2r8y n LEU 37 Cb 0.02 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 2r8y n LEU 37 CO 0.01 -0.06 -0.22 -0.94 -1.33 0.00 0.00 177.39 174.84 2r8y s SER 38 N -3.56 0.85 -0.02 -1.43 1.04 -1.06 -3.86 113.70 105.66 2r8y s SER 38 Ca 0.13 -1.46 0.05 0.00 0.48 0.00 0.00 55.95 55.15 2r8y s SER 38 Cb 0.17 0.34 0.19 0.00 0.10 0.00 0.00 66.02 66.81 2r8y s SER 38 CO 0.56 -0.84 1.03 -0.90 0.98 0.00 0.00 173.24 174.07 2r8y n ASP 39 N -0.57 1.46 0.00 7.02 3.85 -1.25 -2.00 116.55 125.06 2r8y n ASP 39 Ca 0.02 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 2r8y n ASP 39 Cb 0.66 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 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 0.57 0.37 3.80 6.12 0.00 -1.26 -4.67 105.19 110.12 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 -0.26 0.99 1.43 -1.26 -4.75 118.68 119.38 2r8y s LEU 41 Ca 0.00 1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2r8y s LEU 41 Cb 0.00 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2r8y s LEU 41 CO 0.00 0.26 -0.05 -0.63 0.23 0.00 0.00 176.35 176.16 2r8y s ILE 42 N -1.10 2.93 -0.23 -0.59 -1.09 -1.26 -4.69 121.20 115.17 2r8y s ILE 42 Ca 0.30 -1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 57.44 2r8y s ILE 42 Cb -0.20 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2r8y s ILE 42 CO 0.20 0.14 0.61 -0.31 -1.23 0.00 0.00 174.94 174.35 2r8y s TYR 43 N 1.32 3.32 -0.02 3.97 1.51 -0.81 -4.99 117.35 121.65 2r8y s TYR 43 Ca -0.01 0.85 0.06 0.00 -1.01 0.00 0.00 57.07 56.96 2r8y s TYR 43 Cb -0.17 -2.80 -0.01 0.00 -0.11 0.00 0.00 41.96 38.86 2r8y s TYR 43 CO -0.04 -0.25 -0.20 -1.64 -1.11 0.00 0.00 175.55 172.31 2r8y s MET 44 N 2.19 1.70 0.38 -0.62 -1.94 -1.26 -1.11 119.30 118.65 2r8y s MET 44 Ca 0.27 -0.73 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 2r8y s MET 44 Cb -0.16 -1.63 -0.07 0.00 2.01 0.00 0.00 34.83 34.99 2r8y s MET 44 CO 0.09 0.43 -0.01 0.20 -0.01 0.00 0.00 175.02 175.72 2r8y s GLY 45 N -0.44 2.33 0.52 -0.03 0.00 -0.30 -4.98 107.32 104.42 2r8y s GLY 45 Ca 0.07 -2.17 0.29 0.00 0.00 0.00 0.00 44.72 42.90 2r8y s GLY 45 CO -0.00 -2.03 2.03 3.43 0.00 0.00 0.00 173.10 176.52 2r8y h ASN 46 N 1.82 0.00 -0.83 1.64 2.35 -2.02 -1.77 115.58 116.78 2r8y h ASN 46 Ca -0.43 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 54.98 2r8y h ASN 46 Cb 1.25 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.41 2r8y h ASN 46 CO 0.74 0.12 0.42 0.59 -1.65 0.00 0.00 177.43 177.65 2r8y n ASN 47 N -3.47 4.31 -0.03 5.81 4.13 -1.26 -4.91 115.26 119.85 2r8y n ASN 47 Ca -0.01 -3.40 -0.00 0.00 1.68 0.00 0.00 54.58 52.84 2r8y n ASN 47 Cb 0.28 -0.78 -0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2r8y n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2r8y n GLY 48 N -0.60 0.37 3.73 7.41 0.00 -0.66 -5.01 105.19 110.42 2r8y n GLY 48 Ca 0.48 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 2r8y n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2r8y n GLU 49 N -1.79 1.33 -3.93 1.61 4.71 -1.25 -4.79 120.64 116.52 2r8y n GLU 49 Ca -0.00 0.51 -0.14 0.00 -0.01 0.00 0.00 57.16 57.51 2r8y n GLU 49 Cb 0.16 -2.54 -0.15 0.00 -1.01 0.00 0.00 31.44 27.91 2r8y n GLU 49 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2r8y s GLU 50 N -3.16 0.14 0.11 3.49 2.12 -1.26 -1.14 118.70 118.99 2r8y s GLU 50 Ca 0.78 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 56.18 2r8y s GLU 50 Cb -0.40 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.77 2r8y s GLU 50 CO 0.44 -0.01 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.44 2r8y s LEU 51 N 0.25 2.33 0.01 2.70 1.43 -0.27 -5.00 118.68 120.13 2r8y s LEU 51 Ca -0.02 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2r8y s LEU 51 Cb -0.04 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2r8y s LEU 51 CO -0.01 0.02 -0.07 -0.75 0.23 0.00 0.00 176.35 175.77 2r8y s LYS 52 N -2.11 0.54 -0.25 1.70 2.20 -1.26 -1.93 119.74 118.64 2r8y s LYS 52 Ca 0.08 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 55.17 2r8y s LYS 52 Cb -0.09 -0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 2r8y s LYS 52 CO 0.04 0.11 0.10 0.00 -0.36 0.00 0.00 175.35 175.25 2r8y s ALA 53 N -0.59 3.28 0.33 3.13 0.00 -1.26 -5.09 121.76 121.55 2r8y s ALA 53 Ca -0.02 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.94 2r8y s ALA 53 Cb -0.05 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 2r8y s ALA 53 CO 0.00 -0.41 0.43 -0.06 0.00 0.00 0.00 175.76 175.73 2r8y s PHE 54 N 1.48 3.11 -0.19 0.00 0.40 -1.26 -4.38 117.98 117.13 2r8y s PHE 54 Ca 0.06 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 2r8y s PHE 54 Cb -0.15 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2r8y s PHE 54 CO 0.05 0.05 0.02 1.21 0.70 0.00 0.00 175.22 177.25 2r8y s ASN 55 N -4.13 5.09 0.15 1.36 2.47 -1.25 -5.01 114.94 113.62 2r8y s ASN 55 Ca 0.44 -0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.46 2r8y s ASN 55 Cb -0.09 -1.87 0.03 0.00 -1.45 0.00 0.00 41.25 37.88 2r8y s ASN 55 CO 0.30 0.11 1.75 -0.37 -3.72 0.00 0.00 177.10 175.17 2r8y h VAL 56 N 5.20 1.18 0.00 -5.21 -1.51 -1.97 -2.39 116.25 111.55 2r8y h VAL 56 Ca -0.35 -0.48 -0.03 0.00 -1.23 0.00 0.00 66.70 64.61 2r8y h VAL 56 Cb 1.18 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2r8y h VAL 56 CO 0.64 0.19 -0.15 0.03 -1.23 0.00 0.00 177.57 177.05 2r8y h ARG 57 N 0.62 0.00 -0.37 5.19 3.08 -1.97 -1.24 114.38 119.69 2r8y h ARG 57 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2r8y h ARG 57 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2r8y h ARG 57 CO -0.02 0.15 0.15 -0.44 -1.07 0.00 0.00 179.97 178.74 2r8y h ASP 58 N 0.00 0.50 -0.43 7.04 3.32 -1.81 -2.52 116.42 122.51 2r8y h ASP 58 Ca -0.00 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 56.98 2r8y h ASP 58 Cb 0.35 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 2r8y h ASP 58 CO 0.02 0.52 -0.12 1.23 -1.72 0.00 0.00 179.24 179.17 2r8y h GLY 59 N 0.45 0.28 0.59 2.75 0.00 -0.94 -0.59 103.07 105.60 2r8y h GLY 59 Ca 0.12 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.67 2r8y h GLY 59 CO -0.01 -0.17 0.15 -1.82 0.00 0.00 0.00 176.54 174.68 2r8y h TYR 60 N -0.02 0.26 -0.74 5.60 5.03 -1.34 -0.40 116.97 125.36 2r8y h TYR 60 Ca 0.21 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.58 2r8y h TYR 60 Cb 0.34 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.52 2r8y h TYR 60 CO -0.39 0.09 0.46 0.78 -1.32 0.00 0.00 178.16 177.78 2r8y h GLY 61 N 0.31 1.09 0.87 1.82 0.00 -0.96 -0.44 103.07 105.76 2r8y h GLY 61 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2r8y h GLY 61 CO -0.22 0.27 0.06 -2.22 0.00 0.00 0.00 176.54 174.44 2r8y h ILE 62 N 0.88 1.18 -0.49 2.60 2.04 -0.56 -0.08 117.51 123.09 2r8y h ILE 62 Ca 0.31 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.67 2r8y h ILE 62 Cb 0.07 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2r8y h ILE 62 CO -0.13 0.18 0.17 0.03 0.00 0.00 0.00 178.15 178.40 2r8y h ARG 63 N 0.15 0.33 -0.49 2.37 2.47 -0.82 -0.21 114.38 118.18 2r8y h ARG 63 Ca 0.06 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 2r8y h ARG 63 Cb 0.22 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2r8y h ARG 63 CO -0.00 0.22 0.25 0.00 0.56 0.00 0.00 179.97 181.00 2r8y h ALA 65 N 1.25 0.51 -0.09 0.00 0.00 -0.42 -2.31 119.26 118.20 2r8y h ALA 65 Ca 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2r8y h ALA 65 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2r8y h ALA 65 CO -0.14 -0.01 -0.24 -0.07 0.00 0.00 0.00 179.25 178.79 2r8y h LEU 66 N 0.53 0.14 -0.07 0.00 3.38 -0.84 -1.31 115.31 117.15 2r8y h LEU 66 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2r8y h LEU 66 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2r8y h LEU 66 CO -0.03 0.39 -0.10 0.35 0.09 0.00 0.00 178.44 179.14 2r8y n THR 67 N -4.20 0.00 -1.31 0.22 -2.24 -0.60 -3.79 114.28 102.35 2r8y n THR 67 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2r8y n THR 67 Cb 0.33 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.28 2.82 -1.52 3.42 7.64 -0.59 -4.95 113.62 119.16 2r8y n SER 68 Ca 0.11 -3.54 -0.12 0.00 1.01 0.00 0.00 58.87 56.33 2r8y n SER 68 Cb 0.30 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.99 -3.89 -4.10 6.43 4.64 -1.19 -5.00 116.55 112.45 2r8y n ASP 69 Ca 0.29 -0.07 -0.33 0.00 -1.38 0.00 0.00 54.79 53.30 2r8y n ASP 69 Cb 0.97 -2.97 -0.15 0.00 -1.04 0.00 0.00 41.12 37.93 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 -2.71 2.35 0.51 5.18 1.01 -0.63 -4.79 121.20 122.12 2r8y s ILE 70 Ca 0.07 -1.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.00 2r8y s ILE 70 Cb -0.03 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2r8y s ILE 70 CO 0.09 0.00 1.08 -1.61 0.00 0.00 0.00 174.94 174.50 2r8y s GLU 71 N 1.15 3.62 -0.07 2.79 0.41 -0.43 -3.37 118.70 122.80 2r8y s GLU 71 Ca -0.07 1.49 0.02 0.00 -0.41 0.00 0.00 54.97 56.00 2r8y s GLU 71 Cb -0.19 -2.08 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 2r8y s GLU 71 CO -0.05 -0.60 -0.13 0.08 -0.49 0.00 0.00 175.26 174.07 2r8y s VAL 72 N -1.86 1.24 0.13 2.63 1.01 -1.26 0.18 120.40 122.47 2r8y s VAL 72 Ca 0.69 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2r8y s VAL 72 Cb -0.20 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2r8y s VAL 72 CO 0.24 0.38 -0.13 0.00 0.00 0.00 0.00 175.10 175.59 2r8y s ALA 73 N 0.65 1.48 -0.05 5.51 0.00 0.15 -4.29 121.76 125.21 2r8y s ALA 73 Ca -0.15 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.51 2r8y s ALA 73 Cb -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2r8y s ALA 73 CO 0.04 0.04 -0.20 0.42 0.00 0.00 0.00 175.76 176.06 2r8y s ILE 74 N -2.51 1.62 -0.14 0.00 1.01 -0.51 -0.16 121.20 120.50 2r8y s ILE 74 Ca 0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2r8y s ILE 74 Cb -0.03 -1.38 0.04 0.00 0.01 0.00 0.00 42.46 41.10 2r8y s ILE 74 CO 0.02 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 2r8y s ILE 75 N -0.04 0.99 0.04 2.92 1.01 -0.94 -1.04 121.20 124.14 2r8y s ILE 75 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2r8y s ILE 75 Cb -0.12 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2r8y s ILE 75 CO 0.02 0.19 -0.11 0.28 0.00 0.00 0.00 174.94 175.33 2r8y s THR 76 N 1.69 0.82 0.22 2.92 -1.32 -0.04 -4.32 115.64 115.61 2r8y s THR 76 Ca 0.02 -0.93 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 2r8y s THR 76 Cb -0.14 -0.78 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 2r8y s THR 76 CO -0.08 -0.12 1.50 1.23 -2.21 0.00 0.00 174.62 174.94 2r8y h GLY 77 N 4.91 0.15 -1.27 6.08 0.00 -1.86 -1.31 103.07 109.77 2r8y h GLY 77 Ca -0.36 -0.22 -0.45 0.00 0.00 0.00 0.00 47.33 46.30 2r8y h GLY 77 CO 0.44 0.20 0.18 0.50 0.00 0.00 0.00 176.54 177.85 2r8y s ARG 78 N -3.47 2.12 -0.06 4.80 0.52 -1.26 -3.49 118.95 118.11 2r8y s ARG 78 Ca -0.02 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2r8y s ARG 78 Cb 0.11 -2.23 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2r8y s ARG 78 CO 0.80 -1.23 0.12 0.21 0.02 0.00 0.00 175.30 175.22 2r8y s LYS 79 N -5.18 -0.01 -0.14 3.54 2.20 -1.26 -1.18 119.74 117.71 2r8y s LYS 79 Ca 0.61 0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 56.53 2r8y s LYS 79 Cb -0.10 -0.36 0.04 0.00 -1.51 0.00 0.00 37.83 35.91 2r8y s LYS 79 CO 0.44 -0.30 0.42 0.00 -0.36 0.00 0.00 175.35 175.55 2r8y s ALA 80 N 2.13 -1.05 0.43 3.13 0.00 -1.26 -5.01 121.76 120.13 2r8y s ALA 80 Ca 0.03 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.16 2r8y s ALA 80 Cb -0.12 -0.56 0.92 0.00 0.00 0.00 0.00 23.12 23.36 2r8y s ALA 80 CO -0.05 -0.22 2.07 -0.22 0.00 0.00 0.00 175.76 177.35 2r8y h LYS 81 N 5.12 0.44 -0.17 0.00 1.63 -2.00 -1.99 116.57 119.60 2r8y h LYS 81 Ca -0.27 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2r8y h LYS 81 Cb 1.18 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2r8y h LYS 81 CO 0.27 0.30 0.11 1.37 -3.45 0.00 0.00 179.45 178.05 2r8y h LEU 82 N 0.46 0.19 -0.39 5.20 8.10 -1.96 -1.28 115.31 125.62 2r8y h LEU 82 Ca 0.12 -0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.92 2r8y h LEU 82 Cb -0.04 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.13 2r8y h LEU 82 CO -0.03 0.14 -0.71 0.58 -4.11 0.00 0.00 178.44 174.31 2r8y h VAL 83 N 0.22 1.36 -0.56 0.15 2.07 -1.78 -1.02 116.25 116.68 2r8y h VAL 83 Ca 0.06 -2.06 0.02 0.00 0.82 0.00 0.00 66.70 65.54 2r8y h VAL 83 Cb -0.02 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2r8y h VAL 83 CO -0.01 0.63 0.35 -0.33 0.02 0.00 0.00 177.57 178.22 2r8y h GLU 84 N 0.33 0.67 -0.47 1.57 5.08 -1.35 -1.20 114.58 119.20 2r8y h GLU 84 Ca -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2r8y h GLU 84 Cb 1.28 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2r8y h GLU 84 CO 0.13 0.44 0.27 -0.44 -1.00 0.00 0.00 179.01 178.41 2r8y h ASP 85 N 0.69 0.58 -0.51 1.42 3.32 -1.00 -0.19 116.42 120.73 2r8y h ASP 85 Ca 0.22 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2r8y h ASP 85 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2r8y h ASP 85 CO -0.09 0.49 0.19 -0.09 -1.72 0.00 0.00 179.24 178.02 2r8y h ARG 86 N 0.63 0.77 -0.36 3.56 9.65 -1.03 -1.37 114.38 126.23 2r8y h ARG 86 Ca 0.17 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2r8y h ARG 86 Cb 0.03 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 2r8y h ARG 86 CO -0.03 0.69 0.20 0.00 2.80 0.00 0.00 179.97 183.63 2r8y h ALA 88 N 1.07 -0.10 -0.93 0.00 0.00 -0.83 0.55 119.26 119.02 2r8y h ALA 88 Ca 0.13 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.27 2r8y h ALA 88 Cb 0.03 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2r8y h ALA 88 CO -0.02 -0.65 0.54 1.15 0.00 0.00 0.00 179.25 180.26 2r8y h THR 89 N -0.23 0.77 0.00 0.00 2.02 -1.04 -2.74 112.91 111.69 2r8y h THR 89 Ca 0.14 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2r8y h THR 89 Cb 0.45 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2r8y h THR 89 CO -0.39 0.14 -0.75 -0.07 0.37 0.00 0.00 175.52 174.82 2r8y h LEU 90 N 0.76 0.00 0.00 2.58 3.38 -0.77 -3.48 115.31 117.78 2r8y h LEU 90 Ca 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2r8y h LEU 90 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2r8y h LEU 90 CO -0.34 0.07 0.00 0.61 0.09 0.00 0.00 178.44 178.87 2r8y n GLY 91 N 1.28 0.71 3.67 0.83 0.00 0.04 -4.66 105.19 107.06 2r8y n GLY 91 Ca 0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 4.86 -1.10 -0.61 1.01 -0.34 -4.91 121.20 118.10 2r8y s ILE 92 Ca 0.00 1.73 0.11 0.00 0.00 0.00 0.00 60.65 62.48 2r8y s ILE 92 Cb 0.00 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2r8y s ILE 92 CO 0.00 0.02 0.71 0.35 0.00 0.00 0.00 174.94 176.02 2r8y n THR 93 N 4.71 0.00 -3.92 2.92 -2.24 -1.26 -4.31 114.28 110.18 2r8y n THR 93 Ca 0.05 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 2r8y n THR 93 Cb 0.49 1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.29 3.48 -0.05 4.78 3.76 -1.26 -5.07 115.29 119.64 2r8y s HIS 94 Ca 0.10 -2.37 -0.01 0.00 -0.15 0.00 0.00 55.06 52.63 2r8y s HIS 94 Cb 0.09 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 31.19 2r8y s HIS 94 CO 0.24 -0.90 0.02 -1.17 -0.85 0.00 0.00 174.74 172.08 2r8y s LEU 95 N 1.12 0.62 -0.23 0.89 2.96 -1.26 -1.42 118.68 121.36 2r8y s LEU 95 Ca 0.02 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2r8y s LEU 95 Cb -0.20 -0.27 0.05 0.00 0.50 0.00 0.00 46.19 46.26 2r8y s LEU 95 CO -0.04 -0.18 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.40 2r8y s TYR 96 N 1.74 2.73 0.30 5.38 1.51 -0.21 -4.99 117.35 123.81 2r8y s TYR 96 Ca 0.00 -1.90 0.08 0.00 -1.01 0.00 0.00 57.07 54.24 2r8y s TYR 96 Cb -0.13 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2r8y s TYR 96 CO -0.03 -0.80 0.18 -0.65 -1.11 0.00 0.00 175.55 173.13 2r8y s GLN 97 N 1.29 2.64 -0.91 -0.62 -0.21 -1.26 -0.86 119.66 119.72 2r8y s GLN 97 Ca -0.05 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.04 2r8y s GLN 97 Cb -0.18 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2r8y s GLN 97 CO -0.07 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 2r8y n GLY 98 N -1.19 0.14 3.19 3.09 0.00 -0.33 -4.93 105.19 105.17 2r8y n GLY 98 Ca -0.05 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.26 2.38 0.00 1.61 2.00 -0.58 -4.94 119.66 115.87 2r8y s GLN 99 Ca 0.00 -1.41 0.17 0.00 -2.00 0.00 0.00 55.36 52.12 2r8y s GLN 99 Cb 0.00 -3.41 0.08 0.00 0.80 0.00 0.00 33.01 30.48 2r8y s GLN 99 CO 0.00 -0.78 0.97 0.43 -0.50 0.00 0.00 175.29 175.41 2r8y n SER 100 N 4.69 2.13 -4.12 6.67 7.64 -1.26 -3.52 113.62 125.85 2r8y n SER 100 Ca -0.10 -1.57 -0.37 0.00 1.01 0.00 0.00 58.87 57.85 2r8y n SER 100 Cb 0.43 0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.60 5.32 0.46 6.43 3.84 -1.26 -4.97 114.94 123.15 2r8y s ASN 101 Ca 0.18 -2.44 0.31 0.00 0.21 0.00 0.00 52.86 51.11 2r8y s ASN 101 Cb 0.14 -1.87 1.30 0.00 -0.55 0.00 0.00 41.25 40.28 2r8y s ASN 101 CO 0.28 -0.47 1.91 0.11 -2.79 0.00 0.00 177.10 176.14 2r8y h LYS 102 N 7.58 0.00 -0.32 0.43 1.57 -1.84 -2.49 116.57 121.50 2r8y h LYS 102 Ca -0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2r8y h LYS 102 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2r8y h LYS 102 CO 0.72 0.00 0.22 -0.07 -0.57 0.00 0.00 179.45 179.76 2r8y h LEU 103 N 0.00 0.09 -0.16 2.94 3.38 -1.93 -1.14 115.31 118.49 2r8y h LEU 103 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2r8y h LEU 103 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2r8y h LEU 103 CO 0.00 0.06 0.01 0.40 0.09 0.00 0.00 178.44 179.00 2r8y h ILE 104 N 0.10 1.24 -0.40 1.22 2.04 -1.89 -0.71 117.51 119.12 2r8y h ILE 104 Ca 0.15 -0.80 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2r8y h ILE 104 Cb 0.46 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2r8y h ILE 104 CO -0.02 0.24 -0.25 0.00 0.00 0.00 0.00 178.15 178.12 2r8y h ALA 105 N 0.78 0.79 -0.45 1.87 0.00 -1.67 -2.89 119.26 117.69 2r8y h ALA 105 Ca 0.05 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2r8y h ALA 105 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2r8y h ALA 105 CO 0.01 0.65 0.14 0.35 0.00 0.00 0.00 179.25 180.39 2r8y h PHE 106 N 0.72 0.23 -0.45 0.00 -0.00 -1.05 -0.47 116.94 115.93 2r8y h PHE 106 Ca 0.09 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 2r8y h PHE 106 Cb 0.79 -0.04 -0.02 0.00 -0.00 0.00 0.00 35.95 36.68 2r8y h PHE 106 CO 0.04 0.07 0.29 0.77 -0.00 0.00 0.00 178.31 179.48 2r8y h SER 107 N 0.29 0.51 -0.62 0.41 0.02 -1.04 -1.99 113.55 111.13 2r8y h SER 107 Ca 0.22 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2r8y h SER 107 Cb 0.24 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2r8y h SER 107 CO -0.24 0.37 0.19 -0.78 -1.14 0.00 0.00 176.83 175.23 2r8y h ASP 108 N 0.60 0.90 -0.22 3.07 3.58 -1.25 -2.38 116.42 120.72 2r8y h ASP 108 Ca 0.16 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2r8y h ASP 108 Cb -0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2r8y h ASP 108 CO -0.04 0.87 0.08 0.25 -2.88 0.00 0.00 179.24 177.52 2r8y h LEU 109 N 0.88 0.30 -0.85 2.28 6.46 -0.99 -1.27 115.31 122.13 2r8y h LEU 109 Ca 0.20 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2r8y h LEU 109 Cb 0.29 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2r8y h LEU 109 CO -0.01 0.40 0.21 -0.07 -0.62 0.00 0.00 178.44 178.35 2r8y h LEU 110 N 0.19 0.99 -0.18 2.25 3.38 -1.28 -1.44 115.31 119.22 2r8y h LEU 110 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2r8y h LEU 110 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2r8y h LEU 110 CO -0.01 0.93 -0.01 -0.33 0.09 0.00 0.00 178.44 179.11 2r8y h GLU 111 N 1.02 0.33 -0.90 1.13 5.08 -1.38 -0.07 114.58 119.79 2r8y h GLU 111 Ca 0.22 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2r8y h GLU 111 Cb 0.29 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2r8y h GLU 111 CO -0.01 0.55 0.58 0.87 -1.00 0.00 0.00 179.01 180.00 2r8y h LYS 112 N 0.07 1.19 -0.00 2.33 1.57 -1.07 -3.12 116.57 117.54 2r8y h LYS 112 Ca 0.05 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2r8y h LYS 112 Cb 0.41 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2r8y h LYS 112 CO 0.01 0.80 -0.76 1.28 -0.57 0.00 0.00 179.45 180.21 2r8y n LEU 113 N -4.39 0.90 -3.58 2.94 4.77 -0.56 -4.99 117.00 112.09 2r8y n LEU 113 Ca 0.10 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 2r8y n LEU 113 Cb 0.03 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2r8y n LEU 113 CO 0.37 0.21 -0.02 0.00 -1.33 0.00 0.00 177.39 176.62 2r8y n ALA 114 N -1.37 -2.61 -3.06 -1.18 0.00 -0.06 -5.01 120.51 107.22 2r8y n ALA 114 Ca 0.05 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 2r8y n ALA 114 Cb 0.34 -2.75 -0.16 0.00 0.00 0.00 0.00 19.45 16.88 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 -3.25 0.82 0.34 0.00 2.07 -1.08 -5.07 121.20 115.02 2r8y s ILE 115 Ca 0.26 -0.37 -0.27 0.00 -1.41 0.00 0.00 60.65 58.86 2r8y s ILE 115 Cb -0.09 -0.73 -0.09 0.00 0.13 0.00 0.00 42.46 41.67 2r8y s ILE 115 CO 0.85 0.26 1.04 0.00 -1.91 0.00 0.00 174.94 175.17 2r8y s ALA 116 N 0.23 3.23 0.43 1.50 0.00 -1.26 -4.80 121.76 121.09 2r8y s ALA 116 Ca -0.04 0.73 0.17 0.00 0.00 0.00 0.00 51.96 52.82 2r8y s ALA 116 Cb -0.09 -3.27 1.09 0.00 0.00 0.00 0.00 23.12 20.85 2r8y s ALA 116 CO 0.01 -0.10 1.90 -1.35 0.00 0.00 0.00 175.76 176.22 2r8y h PRO 117 N 3.16 0.38 0.00 0.00 0.11 -1.96 -0.32 132.00 133.37 2r8y h PRO 117 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2r8y h PRO 117 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2r8y h PRO 117 CO 0.65 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.74 2r8y h GLU 118 N 0.39 0.00 -0.63 1.05 9.09 -1.88 0.16 114.58 122.75 2r8y h GLU 118 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 2r8y h GLU 118 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 2r8y h GLU 118 CO -0.13 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.02 2r8y n ASN 119 N -2.92 5.19 -4.47 3.06 3.02 -0.13 -3.91 115.26 115.10 2r8y n ASN 119 Ca -0.02 -2.64 -0.33 0.00 -0.03 0.00 0.00 54.58 51.56 2r8y n ASN 119 Cb 0.12 -0.63 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.22 3.19 0.05 2.41 1.01 -0.36 -1.08 120.40 123.42 2r8y s VAL 120 Ca 0.53 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2r8y s VAL 120 Cb 0.37 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2r8y s VAL 120 CO 0.21 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.89 2r8y s ALA 121 N -0.45 3.30 -0.04 5.51 0.00 0.20 -1.66 121.76 128.62 2r8y s ALA 121 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2r8y s ALA 121 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.76 2r8y s ALA 121 CO 0.02 0.68 -0.03 -0.47 0.00 0.00 0.00 175.76 175.96 2r8y s TYR 122 N -1.23 0.60 -0.28 0.00 5.04 -0.61 -0.05 117.35 120.82 2r8y s TYR 122 Ca 0.24 -0.14 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 2r8y s TYR 122 Cb -0.12 -0.58 0.01 0.00 0.35 0.00 0.00 41.96 41.62 2r8y s TYR 122 CO 0.15 -0.17 0.06 0.08 -1.34 0.00 0.00 175.55 174.34 2r8y s VAL 123 N 0.94 3.88 0.41 3.14 1.01 -0.57 -0.35 120.40 128.88 2r8y s VAL 123 Ca -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2r8y s VAL 123 Cb -0.14 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2r8y s VAL 123 CO -0.00 0.13 0.08 -0.83 0.00 0.00 0.00 175.10 174.48 2r8y s GLY 124 N 1.50 2.58 0.00 4.51 0.00 0.19 -2.29 107.32 113.81 2r8y s GLY 124 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2r8y s GLY 124 CO 0.02 -1.92 0.00 2.09 0.00 0.00 0.00 173.10 173.29 2r8y n ASP 125 N -1.16 0.00 -4.06 1.64 3.85 -1.26 -2.01 116.55 113.55 2r8y n ASP 125 Ca -0.08 -0.49 -0.10 0.00 -0.71 0.00 0.00 54.79 53.41 2r8y n ASP 125 Cb 0.66 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.35 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 0.06 0.48 -1.12 -1.08 -1.26 -0.10 116.67 113.64 2r8y s ASP 126 Ca 0.00 -1.08 0.14 0.00 -0.52 0.00 0.00 52.55 51.09 2r8y s ASP 126 Cb 0.00 0.45 1.13 0.00 -1.46 0.00 0.00 42.92 43.04 2r8y s ASP 126 CO 0.00 -0.94 2.08 -0.07 0.52 0.00 0.00 175.17 176.76 2r8y h LEU 127 N 2.51 0.20 -2.62 -1.34 3.38 -1.97 -0.31 115.31 115.14 2r8y h LEU 127 Ca -0.32 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2r8y h LEU 127 Cb 1.24 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2r8y h LEU 127 CO 0.47 0.14 0.07 -0.29 0.09 0.00 0.00 178.44 178.91 2r8y h ILE 128 N 0.23 0.23 0.00 1.22 6.09 -1.97 -1.84 117.51 121.47 2r8y h ILE 128 Ca 0.11 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.53 2r8y h ILE 128 Cb 0.17 0.94 -0.01 0.00 0.47 0.00 0.00 36.82 38.39 2r8y h ILE 128 CO -0.02 0.00 -0.66 0.44 -3.07 0.00 0.00 178.15 174.84 2r8y h ASP 129 N 0.00 0.00 -0.44 2.19 3.32 -1.47 -3.40 116.42 116.61 2r8y h ASP 129 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2r8y h ASP 129 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2r8y h ASP 129 CO -0.00 0.32 0.27 -0.25 -1.72 0.00 0.00 179.24 177.86 2r8y h TRP 130 N 0.00 0.58 -0.98 4.55 2.91 -1.42 -2.18 115.95 119.41 2r8y h TRP 130 Ca -0.04 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.20 2r8y h TRP 130 Cb 1.28 -0.19 -0.12 0.00 -0.51 0.00 0.00 29.16 29.62 2r8y h TRP 130 CO 0.00 0.41 0.57 -1.35 -1.03 0.00 0.00 178.44 177.03 2r8y h PRO 131 N 0.59 0.60 -0.05 2.65 0.11 -1.78 0.23 132.00 134.35 2r8y h PRO 131 Ca 0.16 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 2r8y h PRO 131 Cb -0.01 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 30.97 2r8y h PRO 131 CO -0.03 0.40 -0.53 0.28 -0.21 0.00 0.00 178.00 177.91 2r8y h VAL 132 N 0.62 1.40 -0.91 3.15 2.07 -1.81 -3.32 116.25 117.46 2r8y h VAL 132 Ca 0.60 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 66.26 2r8y h VAL 132 Cb 1.07 2.41 -0.06 0.00 -1.52 0.00 0.00 31.29 33.19 2r8y h VAL 132 CO -0.45 0.57 0.59 0.24 0.02 0.00 0.00 177.57 178.54 2r8y h MET 133 N -0.02 0.97 -0.15 1.57 2.86 -0.58 -1.32 114.93 118.25 2r8y h MET 133 Ca -0.05 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2r8y h MET 133 Cb 1.21 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2r8y h MET 133 CO 0.11 0.64 0.15 1.49 1.06 0.00 0.00 176.91 180.35 2r8y h GLU 134 N 0.99 0.00 0.00 1.72 4.81 -0.70 -2.85 114.58 118.55 2r8y h GLU 134 Ca 0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 2r8y h GLU 134 Cb 0.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2r8y h GLU 134 CO -0.16 0.00 -1.23 1.63 -0.73 0.00 0.00 179.01 178.52 2r8y n LYS 135 N -4.01 0.62 -2.65 1.92 5.02 -0.50 -5.00 118.16 113.56 2r8y n LYS 135 Ca 0.01 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 2r8y n LYS 135 Cb 0.27 -1.76 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -3.38 3.39 0.18 -0.18 -7.23 -1.08 -4.55 120.40 107.55 2r8y s VAL 136 Ca -0.02 -0.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 2r8y s VAL 136 Cb 0.10 -3.30 0.07 0.00 0.56 0.00 0.00 36.38 33.81 2r8y s VAL 136 CO 0.82 -0.25 1.66 1.23 -0.31 0.00 0.00 175.10 178.25 2r8y h GLY 137 N 0.05 1.11 -7.12 2.32 0.00 -0.09 -3.41 103.07 95.94 2r8y h GLY 137 Ca -0.45 -0.75 -0.56 0.00 0.00 0.00 0.00 47.33 45.57 2r8y h GLY 137 CO 0.57 0.70 -0.76 -2.27 0.00 0.00 0.00 176.54 174.78 2r8y s LEU 138 N -9.46 1.73 -0.01 3.11 2.96 -1.01 -4.91 118.68 111.10 2r8y s LEU 138 Ca -0.12 -1.41 -0.20 0.00 -0.22 0.00 0.00 54.13 52.18 2r8y s LEU 138 Cb 0.13 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 46.05 2r8y s LEU 138 CO 0.84 -0.40 0.57 -0.94 -1.32 0.00 0.00 176.35 175.11 2r8y s SER 139 N 1.75 6.95 -0.06 3.68 1.04 -1.26 -1.58 113.70 124.22 2r8y s SER 139 Ca 0.07 1.13 0.02 0.00 0.48 0.00 0.00 55.95 57.66 2r8y s SER 139 Cb -0.17 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.61 2r8y s SER 139 CO -0.24 0.12 -0.12 -0.69 0.98 0.00 0.00 173.24 173.29 2r8y s VAL 140 N -0.26 1.10 -0.11 5.02 1.01 0.53 -1.74 120.40 125.95 2r8y s VAL 140 Ca 0.30 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2r8y s VAL 140 Cb -0.18 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2r8y s VAL 140 CO 0.17 0.34 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 2r8y s ALA 141 N 0.60 3.20 0.70 5.51 0.00 -0.63 -0.63 121.76 130.50 2r8y s ALA 141 Ca -0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2r8y s ALA 141 Cb -0.15 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.48 2r8y s ALA 141 CO 0.03 0.46 1.10 0.14 0.00 0.00 0.00 175.76 177.49 2r8y s VAL 142 N -0.46 3.29 0.30 0.00 -7.23 -0.85 -1.62 120.40 113.83 2r8y s VAL 142 Ca 0.08 0.53 0.06 0.00 -1.81 0.00 0.00 61.98 60.84 2r8y s VAL 142 Cb -0.12 -3.04 0.30 0.00 0.56 0.00 0.00 36.38 34.08 2r8y s VAL 142 CO 0.02 -0.44 1.68 0.00 -0.31 0.00 0.00 175.10 176.05 2r8y h ALA 143 N -0.38 1.52 -0.61 1.32 0.00 -1.55 -1.65 119.26 117.91 2r8y h ALA 143 Ca -0.46 0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 2r8y h ALA 143 Cb 1.24 0.19 -0.20 0.00 0.00 0.00 0.00 17.79 19.02 2r8y h ALA 143 CO 0.53 -0.41 0.15 -0.40 0.00 0.00 0.00 179.25 179.12 2r8y n ASP 144 N -5.08 3.39 -4.55 0.00 5.75 -1.26 -5.00 116.55 109.79 2r8y n ASP 144 Ca 0.24 -3.75 -0.28 0.00 -0.01 0.00 0.00 54.79 50.99 2r8y n ASP 144 Cb 0.73 -0.70 0.22 0.00 -1.03 0.00 0.00 41.12 40.34 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 -3.34 0.06 0.23 2.12 0.00 -0.62 -4.92 121.76 115.29 2r8y s ALA 145 Ca 0.50 -0.29 -0.32 0.00 0.00 0.00 0.00 51.96 51.86 2r8y s ALA 145 Cb 0.44 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 20.25 2r8y s ALA 145 CO 0.03 -3.47 1.49 1.58 0.00 0.00 0.00 175.76 175.39 2r8y n HIS 146 N -4.64 2.34 -0.34 0.00 -0.00 0.85 -4.84 115.22 108.58 2r8y n HIS 146 Ca 0.04 0.35 0.23 0.00 0.46 0.00 0.00 57.72 58.80 2r8y n HIS 146 Cb 0.56 -2.51 0.50 0.00 -0.12 0.00 0.00 29.99 28.41 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 4.82 0.38 0.00 1.57 0.11 -1.91 0.83 132.00 137.80 2r8y h PRO 147 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2r8y h PRO 147 Cb 1.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2r8y h PRO 147 CO 0.80 0.25 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.61 2r8y h LEU 148 N 0.39 0.00 0.07 2.35 3.38 -1.98 -3.17 115.31 116.35 2r8y h LEU 148 Ca 0.64 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.32 2r8y h LEU 148 Cb 1.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.34 2r8y h LEU 148 CO -0.36 0.16 -1.21 0.25 0.09 0.00 0.00 178.44 177.37 2r8y h LEU 149 N 0.00 0.70 -0.40 1.67 5.85 -1.18 -3.40 115.31 118.54 2r8y h LEU 149 Ca -0.00 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.14 2r8y h LEU 149 Cb 0.71 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2r8y h LEU 149 CO 0.02 1.48 -0.09 0.40 -0.34 0.00 0.00 178.44 179.91 2r8y h ILE 150 N 0.21 0.61 0.00 4.05 2.04 -1.50 -1.42 117.51 121.49 2r8y h ILE 150 Ca -0.16 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2r8y h ILE 150 Cb 1.89 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2r8y h ILE 150 CO 0.22 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.56 2r8y n PRO 151 N -5.30 0.14 0.16 2.37 -0.04 -1.26 -2.94 135.00 128.13 2r8y n PRO 151 Ca 0.02 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2r8y n PRO 151 Cb 0.22 -1.77 0.08 0.00 -0.04 0.00 0.00 33.50 31.99 2r8y n PRO 151 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r8y h ARG 152 N 0.00 0.00 -7.03 0.54 3.08 -1.49 -3.47 114.38 106.01 2r8y h ARG 152 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 2r8y h ARG 152 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2r8y h ARG 152 CO 0.00 0.20 0.31 0.00 -1.07 0.00 0.00 179.97 179.41 2r8y s ALA 153 N -3.12 3.07 0.17 0.04 0.00 -1.15 -4.97 121.76 115.80 2r8y s ALA 153 Ca 0.04 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2r8y s ALA 153 Cb 0.07 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.16 2r8y s ALA 153 CO 0.72 0.13 1.81 -0.44 0.00 0.00 0.00 175.76 177.98 2r8y h ASP 154 N 1.89 0.45 -3.88 0.00 3.45 -1.69 -3.44 116.42 113.20 2r8y h ASP 154 Ca -0.49 0.01 -0.42 0.00 0.43 0.00 0.00 57.03 56.56 2r8y h ASP 154 Cb 1.18 -0.09 -0.30 0.00 -0.56 0.00 0.00 39.33 39.56 2r8y h ASP 154 CO 0.62 0.32 -0.79 -0.47 -1.57 0.00 0.00 179.24 177.35 2r8y s TYR 155 N -6.15 0.93 -0.18 4.55 5.04 -0.79 -4.93 117.35 115.82 2r8y s TYR 155 Ca -0.13 -0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2r8y s TYR 155 Cb 0.12 -0.65 -0.01 0.00 0.35 0.00 0.00 41.96 41.78 2r8y s TYR 155 CO 0.73 -0.08 -0.09 0.08 -1.34 0.00 0.00 175.55 174.86 2r8y s VAL 156 N 0.08 3.17 0.67 3.14 1.01 -1.26 -1.61 120.40 125.61 2r8y s VAL 156 Ca -0.01 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 2r8y s VAL 156 Cb -0.07 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2r8y s VAL 156 CO 0.00 0.47 1.17 0.42 0.00 0.00 0.00 175.10 177.17 2r8y s THR 157 N 0.99 2.72 0.13 3.92 -4.23 -0.64 -4.89 115.64 113.64 2r8y s THR 157 Ca -0.01 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2r8y s THR 157 Cb -0.15 -2.95 -0.17 0.00 1.34 0.00 0.00 72.50 70.57 2r8y s THR 157 CO -0.01 -0.17 1.32 0.03 -0.54 0.00 0.00 174.62 175.24 2r8y h ARG 158 N 0.10 0.44 -6.20 3.99 -0.00 -1.92 -3.16 114.38 107.63 2r8y h ARG 158 Ca -0.48 -0.45 -0.58 0.00 -0.50 0.00 0.00 59.98 57.97 2r8y h ARG 158 Cb 1.28 0.12 -0.04 0.00 0.00 0.00 0.00 29.97 31.33 2r8y h ARG 158 CO 0.52 1.10 -0.11 0.42 0.00 0.00 0.00 179.97 181.91 2r8y s ILE 159 N -3.33 4.88 0.65 2.04 -1.09 -1.26 -4.77 121.20 118.32 2r8y s ILE 159 Ca -0.06 0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 59.12 2r8y s ILE 159 Cb 0.09 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2r8y s ILE 159 CO 0.87 0.42 1.11 0.00 -1.23 0.00 0.00 174.94 176.11 2r8y s ALA 160 N -1.26 2.51 0.16 9.38 0.00 -1.26 -3.35 121.76 127.95 2r8y s ALA 160 Ca 0.31 0.55 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 2r8y s ALA 160 Cb -0.17 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 2r8y s ALA 160 CO 0.18 -1.20 1.22 0.41 0.00 0.00 0.00 175.76 176.37 2r8y n GLY 161 N -0.52 0.19 3.15 0.00 0.00 -1.26 -1.55 105.19 105.21 2r8y n GLY 161 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 2.14 1.74 0.42 -0.02 0.00 -0.02 -3.80 105.19 105.65 2r8y n GLY 162 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.53 0.00 1.61 5.12 -0.59 -4.48 116.66 116.84 2r8y n ARG 163 Ca 0.00 -1.15 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 2r8y n ARG 163 Cb 0.00 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 0.57 1.03 0.36 -0.13 0.00 -1.23 -4.85 105.19 100.95 2r8y n GLY 164 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 1.45 -0.21 4.61 0.00 -1.71 -0.85 119.26 122.56 2r8y h ALA 165 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2r8y h ALA 165 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2r8y h ALA 165 CO 0.00 0.48 -0.49 0.28 0.00 0.00 0.00 179.25 179.52 2r8y h VAL 166 N 1.09 1.31 -0.68 0.00 2.07 -1.89 -2.29 116.25 115.87 2r8y h VAL 166 Ca 0.34 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 66.17 2r8y h VAL 166 Cb -0.01 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2r8y h VAL 166 CO -0.09 0.54 0.42 -0.09 0.02 0.00 0.00 177.57 178.36 2r8y h ARG 167 N 0.41 0.79 -0.72 1.57 9.65 -1.78 -0.36 114.38 123.94 2r8y h ARG 167 Ca -0.00 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2r8y h ARG 167 Cb 1.10 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.45 2r8y h ARG 167 CO 0.11 0.52 0.42 1.49 2.80 0.00 0.00 179.97 185.31 2r8y h GLU 168 N 0.81 0.77 -0.26 0.20 4.81 -1.01 0.20 114.58 120.10 2r8y h GLU 168 Ca 0.28 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2r8y h GLU 168 Cb 0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2r8y h GLU 168 CO -0.12 0.51 -0.12 0.28 -0.73 0.00 0.00 179.01 178.83 2r8y h VAL 169 N 0.79 1.30 -0.38 0.32 2.07 -1.04 -1.18 116.25 118.12 2r8y h VAL 169 Ca 0.31 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.70 2r8y h VAL 169 Cb 0.15 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2r8y h VAL 169 CO -0.17 0.37 0.05 0.00 0.02 0.00 0.00 177.57 177.85 2r8y h ASP 171 N 0.17 0.70 -0.06 0.00 3.45 -0.56 -1.56 116.42 118.56 2r8y h ASP 171 Ca 0.18 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.70 2r8y h ASP 171 Cb 0.23 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2r8y h ASP 171 CO -0.27 0.36 0.00 0.25 -1.57 0.00 0.00 179.24 178.02 2r8y h LEU 172 N 0.79 0.10 -0.25 1.55 5.85 -0.26 -0.42 115.31 122.68 2r8y h LEU 172 Ca 0.45 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2r8y h LEU 172 Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2r8y h LEU 172 CO -0.29 0.37 0.11 -0.07 -0.34 0.00 0.00 178.44 178.22 2r8y h LEU 173 N -0.17 0.14 -0.43 2.25 3.38 -0.91 -0.28 115.31 119.30 2r8y h LEU 173 Ca 0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2r8y h LEU 173 Cb 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2r8y h LEU 173 CO 0.00 0.12 0.03 -0.07 0.09 0.00 0.00 178.44 178.61 2r8y h LEU 174 N 0.23 0.71 -0.18 1.67 3.38 -1.29 -1.51 115.31 118.33 2r8y h LEU 174 Ca 0.11 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2r8y h LEU 174 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2r8y h LEU 174 CO -0.09 0.82 -0.03 0.25 0.09 0.00 0.00 178.44 179.48 2r8y h LEU 175 N 0.58 -0.14 -1.53 1.67 5.85 -0.95 0.44 115.31 121.23 2r8y h LEU 175 Ca 0.13 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2r8y h LEU 175 Cb 0.44 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2r8y h LEU 175 CO 0.02 -0.05 0.17 0.00 -0.34 0.00 0.00 178.44 178.24 2r8y h ALA 176 N 1.18 1.64 -0.29 1.25 0.00 -0.86 -1.96 119.26 120.21 2r8y h ALA 176 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r8y h ALA 176 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r8y h ALA 176 CO -0.18 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.41 2r8y n GLN 177 N -4.42 2.07 -2.48 0.00 6.02 -0.58 -4.63 117.38 113.36 2r8y n GLN 177 Ca 0.02 -1.62 -0.14 0.00 -0.01 0.00 0.00 57.00 55.25 2r8y n GLN 177 Cb 0.11 -1.43 0.01 0.00 1.02 0.00 0.00 30.24 29.95 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 1.29 -0.13 0.08 1.08 0.00 -0.37 -5.03 105.19 102.11 2r8y n GLY 178 Ca 0.17 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2r8y n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60