#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8u s ALA 2 N 0.00 2.27 -0.21 3.04 0.00 0.21 -4.96 121.76 122.11 2r8u s ALA 2 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 2r8u s ALA 2 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2r8u s ALA 2 CO 0.00 -1.62 1.09 0.08 0.00 0.00 0.00 175.76 175.31 2r8u s VAL 3 N -1.94 4.58 0.39 0.00 1.01 -1.26 -4.88 120.40 118.32 2r8u s VAL 3 Ca 0.74 1.91 -0.16 0.00 0.00 0.00 0.00 61.98 64.47 2r8u s VAL 3 Cb -0.28 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2r8u s VAL 3 CO 0.42 -0.16 0.83 0.20 0.00 0.00 0.00 175.10 176.39 2r8u s ASN 4 N 1.38 6.75 -0.09 3.32 0.01 -1.26 -4.84 114.94 120.21 2r8u s ASN 4 Ca 0.47 1.40 0.03 0.00 -0.71 0.00 0.00 52.86 54.05 2r8u s ASN 4 Cb -0.17 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2r8u s ASN 4 CO 0.09 -0.34 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.46 2r8u s VAL 5 N -2.20 1.67 0.37 1.60 1.01 -1.26 -5.06 120.40 116.53 2r8u s VAL 5 Ca 0.56 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2r8u s VAL 5 Cb -0.10 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 2r8u s VAL 5 CO 0.21 0.47 -0.00 -0.31 0.00 0.00 0.00 175.10 175.47 2r8u s TYR 6 N 0.54 2.50 0.59 5.22 2.02 -1.26 -4.98 117.35 121.98 2r8u s TYR 6 Ca -0.16 -0.55 0.30 0.00 -0.37 0.00 0.00 57.07 56.29 2r8u s TYR 6 Cb -0.17 -1.60 1.79 0.00 -0.40 0.00 0.00 41.96 41.57 2r8u s TYR 6 CO 0.06 0.47 2.21 0.77 -1.57 0.00 0.00 175.55 177.48 2r8u h SER 7 N 1.82 0.00 0.49 2.29 0.02 -2.04 -1.09 113.55 115.03 2r8u h SER 7 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2r8u h SER 7 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2r8u h SER 7 CO 0.73 0.00 -0.34 0.35 -1.14 0.00 0.00 176.83 176.43 2r8u n THR 8 N -3.81 0.00 -2.03 -2.27 -2.24 -1.26 -4.90 114.28 97.77 2r8u n THR 8 Ca -0.02 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 2r8u n THR 8 Cb 0.16 0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2r8u n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r8u s SER 9 N -2.83 5.72 -0.25 3.42 0.01 -0.42 -4.97 113.70 114.39 2r8u s SER 9 Ca 0.16 2.53 -0.27 0.00 1.31 0.00 0.00 55.95 59.68 2r8u s SER 9 Cb 0.18 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.80 2r8u s SER 9 CO 0.61 -1.24 0.97 -0.69 0.41 0.00 0.00 173.24 173.30 2r8u s VAL 10 N -1.43 4.71 0.28 3.43 1.01 -1.26 -4.90 120.40 122.23 2r8u s VAL 10 Ca 0.68 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.51 2r8u s VAL 10 Cb -0.34 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 2r8u s VAL 10 CO 0.41 -0.18 0.06 0.42 0.00 0.00 0.00 175.10 175.80 2r8u s THR 11 N 3.13 0.92 1.06 3.92 -4.23 -1.26 -5.13 115.64 114.05 2r8u s THR 11 Ca 0.41 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 2r8u s THR 11 Cb -0.15 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2r8u s THR 11 CO 0.08 -0.08 1.07 -0.44 -0.54 0.00 0.00 174.62 174.71 2r8u s SER 12 N -3.38 1.82 0.65 3.99 0.01 -1.26 -4.96 113.70 110.56 2r8u s SER 12 Ca 0.35 1.73 -0.18 0.00 1.31 0.00 0.00 55.95 59.17 2r8u s SER 12 Cb 0.08 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2r8u s SER 12 CO 0.13 -3.72 1.29 -1.81 0.41 0.00 0.00 173.24 169.55 2r8u s ASP 13 N -2.65 4.60 0.71 2.44 1.01 -1.26 -4.97 116.67 116.56 2r8u s ASP 13 Ca 0.67 2.62 -0.15 0.00 0.71 0.00 0.00 52.55 56.40 2r8u s ASP 13 Cb -0.24 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.11 2r8u s ASP 13 CO 0.62 -2.00 1.21 0.20 0.21 0.00 0.00 175.17 175.41 2r8u s ASN 14 N -1.40 4.29 0.08 0.27 0.01 -1.26 -5.03 114.94 111.89 2r8u s ASN 14 Ca 0.82 2.38 0.03 0.00 -0.71 0.00 0.00 52.86 55.39 2r8u s ASN 14 Cb -0.37 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.65 2r8u s ASN 14 CO 0.40 -2.20 0.07 -0.76 -1.51 0.00 0.00 177.10 173.10 2r8u s LEU 15 N -5.02 3.76 0.94 0.60 1.02 -1.26 -5.10 118.68 113.62 2r8u s LEU 15 Ca 0.75 -0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.76 2r8u s LEU 15 Cb -0.30 -2.43 0.16 0.00 0.02 0.00 0.00 46.19 43.63 2r8u s LEU 15 CO 0.44 0.18 1.09 -0.94 0.02 0.00 0.00 176.35 177.14 2r8u s SER 16 N -2.34 2.98 0.34 2.29 1.04 -1.26 -4.76 113.70 111.99 2r8u s SER 16 Ca 0.28 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.33 2r8u s SER 16 Cb -0.12 -2.22 0.72 0.00 0.10 0.00 0.00 66.02 64.51 2r8u s SER 16 CO 0.21 -2.96 1.89 0.08 0.98 0.00 0.00 173.24 173.44 2r8u h ARG 17 N -1.77 0.77 -0.01 4.02 0.11 -1.99 -1.14 114.38 114.38 2r8u h ARG 17 Ca -0.51 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.52 2r8u h ARG 17 Cb 1.29 -0.17 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 2r8u h ARG 17 CO 0.53 0.51 -0.00 1.25 0.10 0.00 0.00 179.97 182.36 2r8u h HIS 18 N 0.80 0.01 0.00 4.08 2.76 -2.00 -2.08 115.15 118.71 2r8u h HIS 18 Ca 0.42 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2r8u h HIS 18 Cb 0.52 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2r8u h HIS 18 CO -0.00 0.32 -0.42 -0.44 -1.30 0.00 0.00 177.93 176.09 2r8u h ASP 19 N -0.31 0.00 -0.34 3.26 3.32 -1.83 -2.44 116.42 118.08 2r8u h ASP 19 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2r8u h ASP 19 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2r8u h ASP 19 CO 0.00 0.42 -0.17 -0.03 -1.72 0.00 0.00 179.24 177.74 2r8u h MET 20 N 0.00 0.71 -0.71 3.56 4.05 -1.10 -2.04 114.93 119.40 2r8u h MET 20 Ca -0.00 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.07 2r8u h MET 20 Cb 0.76 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.50 2r8u h MET 20 CO 0.05 0.92 0.30 -0.07 0.23 0.00 0.00 176.91 178.35 2r8u h LEU 21 N 0.49 0.94 -0.61 3.39 3.38 -1.20 -1.53 115.31 120.19 2r8u h LEU 21 Ca 0.08 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2r8u h LEU 21 Cb 0.71 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2r8u h LEU 21 CO 0.05 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.75 2r8u h ALA 22 N 1.31 0.79 -0.16 1.53 0.00 -1.22 0.47 119.26 121.99 2r8u h ALA 22 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2r8u h ALA 22 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2r8u h ALA 22 CO -0.02 0.03 0.09 2.35 0.00 0.00 0.00 179.25 181.70 2r8u h TRP 23 N 0.65 0.22 -0.13 0.00 7.01 -0.91 0.36 115.95 123.14 2r8u h TRP 23 Ca 0.26 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 2r8u h TRP 23 Cb 0.12 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2r8u h TRP 23 CO -0.08 0.20 0.07 0.82 -2.79 0.00 0.00 178.44 176.67 2r8u h ILE 24 N 0.17 1.09 -0.47 2.65 1.08 -0.99 -1.26 117.51 119.77 2r8u h ILE 24 Ca 0.06 -0.25 -0.09 0.00 -0.39 0.00 0.00 64.86 64.19 2r8u h ILE 24 Cb 0.06 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2r8u h ILE 24 CO -0.01 0.08 -0.06 0.78 -0.69 0.00 0.00 178.15 178.26 2r8u h ASN 25 N 0.12 0.87 0.16 1.72 2.35 0.14 -1.61 115.58 119.32 2r8u h ASN 25 Ca 0.05 -0.34 -0.21 0.00 -0.55 0.00 0.00 56.30 55.25 2r8u h ASN 25 Cb 0.07 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2r8u h ASN 25 CO -0.01 1.00 -0.82 -0.33 -1.65 0.00 0.00 177.43 175.62 2r8u h GLU 26 N 0.73 0.53 -0.38 0.81 5.08 -0.93 0.38 114.58 120.79 2r8u h GLU 26 Ca 0.13 -0.47 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 2r8u h GLU 26 Cb 0.59 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2r8u h GLU 26 CO 0.04 1.11 -0.20 0.77 -1.00 0.00 0.00 179.01 179.73 2r8u h SER 27 N 0.34 0.73 -0.04 1.42 0.02 -1.17 -3.28 113.55 111.56 2r8u h SER 27 Ca -0.06 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2r8u h SER 27 Cb 1.43 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2r8u h SER 27 CO 0.15 0.92 0.00 0.18 -1.14 0.00 0.00 176.83 176.94 2r8u n LEU 28 N -4.13 2.11 -3.40 5.07 4.77 -0.61 -4.68 117.00 116.13 2r8u n LEU 28 Ca 0.00 -1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 54.76 2r8u n LEU 28 Cb 0.41 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2r8u n LEU 28 CO 0.44 0.40 0.05 0.00 -1.33 0.00 0.00 177.39 176.95 2r8u n GLN 29 N 0.71 -4.46 -4.55 3.23 6.02 0.04 -4.55 117.38 113.81 2r8u n GLN 29 Ca 0.08 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.58 2r8u n GLN 29 Cb 0.32 -5.70 -0.07 0.00 1.02 0.00 0.00 30.24 25.81 2r8u n GLN 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2r8u s LEU 30 N -6.01 2.51 -0.33 1.08 1.43 -0.68 -4.96 118.68 111.72 2r8u s LEU 30 Ca 0.20 -1.50 0.16 0.00 -1.03 0.00 0.00 54.13 51.96 2r8u s LEU 30 Cb -0.03 -0.88 0.46 0.00 0.03 0.00 0.00 46.19 45.77 2r8u s LEU 30 CO 0.75 -0.81 1.01 -3.20 0.23 0.00 0.00 176.35 174.33 2r8u n ASN 31 N -1.30 2.13 -4.76 2.29 2.85 -1.26 -4.65 115.26 110.55 2r8u n ASN 31 Ca -0.13 -2.80 -0.37 0.00 -0.11 0.00 0.00 54.58 51.17 2r8u n ASN 31 Cb 0.66 -0.50 0.01 0.00 1.24 0.00 0.00 39.78 41.19 2r8u n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2r8u s LEU 32 N -3.33 3.91 0.00 1.20 1.43 -1.26 -4.93 118.68 115.71 2r8u s LEU 32 Ca 0.31 2.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.87 2r8u s LEU 32 Cb 0.42 -4.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.33 2r8u s LEU 32 CO -0.01 -1.21 0.29 0.35 0.23 0.00 0.00 176.35 176.00 2r8u n THR 33 N -0.82 0.00 -3.84 5.49 -2.24 -1.26 -4.99 114.28 106.62 2r8u n THR 33 Ca 0.09 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 2r8u n THR 33 Cb 0.47 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.58 2r8u n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2r8u s LYS 34 N -0.53 0.07 0.44 -0.78 1.02 -1.26 -5.03 119.74 113.67 2r8u s LYS 34 Ca 0.01 0.10 0.14 0.00 0.02 0.00 0.00 55.97 56.24 2r8u s LYS 34 Cb 0.01 0.02 1.04 0.00 -0.52 0.00 0.00 37.83 38.37 2r8u s LYS 34 CO 0.02 -0.02 1.98 0.82 -0.92 0.00 0.00 175.35 177.23 2r8u h ILE 35 N 5.14 0.89 -0.17 2.17 1.08 -1.96 -1.74 117.51 122.94 2r8u h ILE 35 Ca -0.26 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2r8u h ILE 35 Cb 1.20 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2r8u h ILE 35 CO 0.47 0.07 0.19 -0.33 -0.69 0.00 0.00 178.15 177.86 2r8u h GLU 36 N 0.39 0.00 0.00 2.37 3.07 -1.91 -0.94 114.58 117.57 2r8u h GLU 36 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2r8u h GLU 36 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2r8u h GLU 36 CO -0.07 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.58 2r8u n GLN 37 N -3.79 0.17 0.00 2.33 6.02 -0.65 -1.92 117.38 119.53 2r8u n GLN 37 Ca 0.01 0.14 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 2r8u n GLN 37 Cb 0.31 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.61 2r8u n GLN 37 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2r8u n LEU 38 N -1.36 0.00 0.22 1.08 4.77 -0.36 -3.34 117.00 118.02 2r8u n LEU 38 Ca 0.07 0.16 0.18 0.00 -0.03 0.00 0.00 56.01 56.39 2r8u n LEU 38 Cb 0.17 -0.16 0.83 0.00 -2.33 0.00 0.00 43.42 41.93 2r8u n LEU 38 CO 0.15 -0.06 1.15 0.00 -1.33 0.00 0.00 177.39 177.31 2r8u h SER 40 N 0.00 0.00 0.00 0.00 4.64 -1.83 -3.37 113.55 112.98 2r8u h SER 40 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2r8u h SER 40 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2r8u h SER 40 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2r8u n GLY 41 N 0.91 2.96 0.23 -0.77 0.00 -0.87 -4.47 105.19 103.18 2r8u n GLY 41 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2r8u n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8u h ALA 42 N 0.00 0.83 -0.50 4.61 0.00 -1.85 -2.40 119.26 119.94 2r8u h ALA 42 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2r8u h ALA 42 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2r8u h ALA 42 CO 0.00 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.06 2r8u h ALA 43 N 1.07 0.66 -0.80 0.00 0.00 -1.90 -1.39 119.26 116.90 2r8u h ALA 43 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2r8u h ALA 43 Cb 0.91 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2r8u h ALA 43 CO 0.08 0.31 0.41 1.88 0.00 0.00 0.00 179.25 181.93 2r8u h TYR 44 N 0.68 1.13 -0.41 0.00 0.05 -1.90 0.39 116.97 116.91 2r8u h TYR 44 Ca 0.16 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.96 2r8u h TYR 44 Cb 0.27 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.60 2r8u h TYR 44 CO 0.01 0.81 0.13 0.00 -1.05 0.00 0.00 178.16 178.06 2r8u h GLN 46 N 0.28 0.48 -0.37 0.00 4.15 -0.49 -1.94 115.11 117.22 2r8u h GLN 46 Ca 0.19 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2r8u h GLN 46 Cb 0.20 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2r8u h GLN 46 CO -0.22 0.75 0.00 0.74 -1.93 0.00 0.00 178.83 178.18 2r8u h PHE 47 N 0.41 0.60 -0.38 3.99 0.05 -0.59 -0.73 116.94 120.29 2r8u h PHE 47 Ca 0.05 -0.06 -0.09 0.00 3.82 0.00 0.00 57.97 61.69 2r8u h PHE 47 Cb 0.78 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.54 2r8u h PHE 47 CO 0.03 0.58 -0.13 0.52 -0.18 0.00 0.00 178.31 179.13 2r8u h MET 48 N 0.55 0.67 -0.82 1.51 2.86 -0.58 -0.03 114.93 119.10 2r8u h MET 48 Ca 0.12 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2r8u h MET 48 Cb 0.35 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 2r8u h MET 48 CO 0.01 0.78 0.52 0.22 1.06 0.00 0.00 176.91 179.51 2r8u h ASP 49 N 0.61 0.87 -0.37 1.22 3.58 -0.82 0.35 116.42 121.87 2r8u h ASP 49 Ca 0.11 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2r8u h ASP 49 Cb 0.57 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2r8u h ASP 49 CO 0.04 0.60 0.02 -0.03 -2.88 0.00 0.00 179.24 176.99 2r8u h MET 50 N 1.03 0.64 -0.11 0.28 4.05 -0.78 -2.25 114.93 117.78 2r8u h MET 50 Ca 0.32 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 2r8u h MET 50 Cb -0.00 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2r8u h MET 50 CO -0.11 0.73 -0.10 -0.07 0.23 0.00 0.00 176.91 177.59 2r8u h LEU 51 N 0.47 0.28 -6.40 3.39 3.38 -0.84 -3.40 115.31 112.19 2r8u h LEU 51 Ca 0.11 -0.47 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 2r8u h LEU 51 Cb 0.43 -0.08 -0.39 0.00 0.09 0.00 0.00 40.66 40.71 2r8u h LEU 51 CO 0.01 0.70 -0.91 0.49 0.09 0.00 0.00 178.44 178.83 2r8u n PHE 52 N -4.64 0.28 -1.65 1.13 3.01 0.10 -4.85 117.46 110.84 2r8u n PHE 52 Ca -0.07 -3.60 -0.52 0.00 1.01 0.00 0.00 57.45 54.27 2r8u n PHE 52 Cb 0.33 -0.09 -0.06 0.00 -0.01 0.00 0.00 39.48 39.65 2r8u n PHE 52 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2r8u n PRO 53 N 2.23 1.47 -0.01 -1.08 -0.02 -0.85 -1.09 135.00 135.64 2r8u n PRO 53 Ca 0.26 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2r8u n PRO 53 Cb 0.46 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2r8u n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r8u n GLY 54 N 3.36 0.45 0.25 -1.23 0.00 -1.26 -4.93 105.19 101.82 2r8u n GLY 54 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 2r8u n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r8u h SER 55 N 0.00 0.00 -3.98 1.61 4.64 -1.41 -3.44 113.55 110.98 2r8u h SER 55 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2r8u h SER 55 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 2r8u h SER 55 CO 0.00 0.00 -0.84 -0.63 -0.87 0.00 0.00 176.83 174.49 2r8u s ILE 56 N -3.48 1.49 -1.31 0.95 1.09 -1.26 -4.17 121.20 114.51 2r8u s ILE 56 Ca 0.04 -0.76 -0.17 0.00 -1.10 0.00 0.00 60.65 58.66 2r8u s ILE 56 Cb 0.08 -1.27 0.08 0.00 -1.06 0.00 0.00 42.46 40.28 2r8u s ILE 56 CO 0.59 0.43 1.77 0.00 -0.10 0.00 0.00 174.94 177.62 2r8u n ALA 57 N 3.05 3.88 -0.34 9.38 0.00 -1.26 -4.79 120.51 130.43 2r8u n ALA 57 Ca -0.18 -3.91 0.16 0.00 0.00 0.00 0.00 53.44 49.52 2r8u n ALA 57 Cb 0.53 -3.53 0.39 0.00 0.00 0.00 0.00 19.45 16.84 2r8u n ALA 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2r8u h LEU 58 N 11.83 0.67 -2.29 0.00 6.46 -1.96 -0.42 115.31 129.59 2r8u h LEU 58 Ca 0.45 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.30 2r8u h LEU 58 Cb 0.84 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2r8u h LEU 58 CO 1.49 0.20 -0.03 0.50 -0.62 0.00 0.00 178.44 179.99 2r8u h LYS 59 N 0.63 0.00 0.00 1.25 1.63 -1.95 -0.13 116.57 118.01 2r8u h LYS 59 Ca 0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 2r8u h LYS 59 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2r8u h LYS 59 CO -0.37 0.03 -0.37 1.63 -3.45 0.00 0.00 179.45 176.93 2r8u n LYS 60 N -3.92 0.12 -2.37 1.90 4.76 -0.18 -4.92 118.16 113.55 2r8u n LYS 60 Ca -0.03 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 2r8u n LYS 60 Cb 0.11 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.68 2r8u n LYS 60 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2r8u s VAL 61 N -3.06 3.54 -0.83 -0.18 1.01 -0.06 -4.94 120.40 115.88 2r8u s VAL 61 Ca 0.10 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 2r8u s VAL 61 Cb 0.16 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.86 2r8u s VAL 61 CO 0.66 0.22 0.90 -0.54 0.00 0.00 0.00 175.10 176.33 2r8u s LYS 62 N -0.36 3.50 0.28 2.72 1.02 -1.26 -4.87 119.74 120.76 2r8u s LYS 62 Ca 0.52 -1.98 0.25 0.00 0.02 0.00 0.00 55.97 54.78 2r8u s LYS 62 Cb -0.33 -4.59 0.93 0.00 -0.52 0.00 0.00 37.83 33.32 2r8u s LYS 62 CO 0.37 -1.53 1.75 0.74 -0.92 0.00 0.00 175.35 175.77 2r8u h PHE 63 N 8.45 0.00 -0.23 3.18 0.04 -1.95 -2.91 116.94 123.51 2r8u h PHE 63 Ca 0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 2r8u h PHE 63 Cb 1.04 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.12 2r8u h PHE 63 CO 1.05 0.00 -0.26 1.04 -0.60 0.00 0.00 178.31 179.54 2r8u n GLN 64 N -2.37 1.78 -1.73 1.51 3.00 -1.26 -5.04 117.38 113.26 2r8u n GLN 64 Ca 0.03 -3.27 -0.41 0.00 -0.01 0.00 0.00 57.00 53.34 2r8u n GLN 64 Cb 0.32 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 28.81 2r8u n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2r8u n ALA 65 N -1.12 1.70 -0.76 -1.58 0.00 -1.10 -4.89 120.51 112.76 2r8u n ALA 65 Ca 0.28 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2r8u n ALA 65 Cb 0.90 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2r8u n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2r8u n LYS 66 N 0.30 -0.17 -4.87 0.00 4.76 -1.26 -5.01 118.16 111.90 2r8u n LYS 66 Ca 0.04 -0.16 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 2r8u n LYS 66 Cb 0.38 -0.62 -0.15 0.00 -1.84 0.00 0.00 35.03 32.81 2r8u n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2r8u s LEU 67 N -0.02 2.16 0.43 -0.35 1.43 -1.26 -5.06 118.68 116.01 2r8u s LEU 67 Ca 0.00 -0.56 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2r8u s LEU 67 Cb 0.00 -1.21 0.98 0.00 0.03 0.00 0.00 46.19 45.99 2r8u s LEU 67 CO 0.00 0.24 2.04 -0.08 0.23 0.00 0.00 176.35 178.78 2r8u h GLU 68 N 4.88 0.42 0.00 1.70 4.81 -1.98 -1.19 114.58 123.21 2r8u h GLU 68 Ca -0.45 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2r8u h GLU 68 Cb 1.14 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2r8u h GLU 68 CO 0.44 0.28 -0.17 1.12 -0.73 0.00 0.00 179.01 179.94 2r8u h HIS 69 N 0.43 0.00 -0.07 0.92 2.07 -1.98 -1.29 115.15 115.23 2r8u h HIS 69 Ca 0.18 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.50 2r8u h HIS 69 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 2r8u h HIS 69 CO -0.00 0.17 -0.80 0.93 -3.07 0.00 0.00 177.93 175.16 2r8u h GLU 70 N 0.00 0.48 -0.76 5.12 5.08 -1.65 -1.86 114.58 120.99 2r8u h GLU 70 Ca -0.00 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2r8u h GLU 70 Cb 0.64 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2r8u h GLU 70 CO 0.02 1.06 0.43 1.88 -1.00 0.00 0.00 179.01 181.41 2r8u h TYR 71 N 0.31 1.03 -0.42 4.33 0.05 -1.05 -1.44 116.97 119.79 2r8u h TYR 71 Ca -0.05 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 2r8u h TYR 71 Cb 1.40 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 2r8u h TYR 71 CO 0.06 0.72 -0.10 0.82 -1.05 0.00 0.00 178.16 178.61 2r8u h ILE 72 N 1.05 1.25 -0.74 -2.88 2.04 -1.05 -0.17 117.51 117.01 2r8u h ILE 72 Ca 0.27 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 2r8u h ILE 72 Cb 0.01 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2r8u h ILE 72 CO -0.05 0.38 0.35 1.56 0.00 0.00 0.00 178.15 180.40 2r8u h GLN 73 N 0.68 1.07 -0.77 2.37 4.20 -0.87 -0.20 115.11 121.58 2r8u h GLN 73 Ca 0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2r8u h GLN 73 Cb 0.56 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2r8u h GLN 73 CO 0.03 0.84 0.44 -0.91 -0.67 0.00 0.00 178.83 178.57 2r8u h ASN 74 N 1.04 0.95 0.27 1.46 2.35 -0.74 -1.81 115.58 119.10 2r8u h ASN 74 Ca 0.25 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 2r8u h ASN 74 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2r8u h ASN 74 CO -0.03 0.75 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.86 2r8u h PHE 75 N 1.06 0.18 -0.25 1.19 0.04 -0.38 -1.33 116.94 117.44 2r8u h PHE 75 Ca 0.27 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 2r8u h PHE 75 Cb -0.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2r8u h PHE 75 CO -0.00 0.53 -0.28 0.87 -0.60 0.00 0.00 178.31 178.82 2r8u h LYS 76 N 0.14 0.50 -0.47 1.51 1.57 -0.71 0.10 116.57 119.21 2r8u h LYS 76 Ca 0.01 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2r8u h LYS 76 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2r8u h LYS 76 CO 0.06 0.74 0.26 0.82 -0.57 0.00 0.00 179.45 180.75 2r8u h ILE 77 N 0.44 1.17 -0.39 1.86 1.08 -0.81 -0.86 117.51 120.00 2r8u h ILE 77 Ca 0.06 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2r8u h ILE 77 Cb 0.71 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 2r8u h ILE 77 CO 0.05 0.18 0.23 0.25 -0.69 0.00 0.00 178.15 178.17 2r8u h LEU 78 N 0.62 0.36 -1.01 1.44 5.85 -0.87 -2.01 115.31 119.70 2r8u h LEU 78 Ca 0.17 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2r8u h LEU 78 Cb 0.05 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2r8u h LEU 78 CO -0.03 0.26 0.66 1.56 -0.34 0.00 0.00 178.44 180.55 2r8u h GLN 79 N 0.46 1.19 -0.22 1.25 4.20 -0.56 0.39 115.11 121.82 2r8u h GLN 79 Ca 0.16 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 2r8u h GLN 79 Cb 0.01 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2r8u h GLN 79 CO -0.08 0.78 -0.31 0.00 -0.67 0.00 0.00 178.83 178.56 2r8u h ALA 80 N 1.44 1.07 -0.44 3.87 0.00 -0.83 -0.05 119.26 124.32 2r8u h ALA 80 Ca 0.42 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2r8u h ALA 80 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2r8u h ALA 80 CO -0.15 0.57 0.01 0.78 0.00 0.00 0.00 179.25 180.46 2r8u h GLY 81 N 1.06 0.84 0.80 0.00 0.00 -0.53 0.21 103.07 105.44 2r8u h GLY 81 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 46.80 2r8u h GLY 81 CO 0.06 0.56 0.16 0.74 0.00 0.00 0.00 176.54 178.06 2r8u h PHE 82 N 0.62 0.29 -0.38 5.60 0.05 -0.66 -0.24 116.94 122.21 2r8u h PHE 82 Ca 0.13 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 2r8u h PHE 82 Cb 0.48 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 2r8u h PHE 82 CO 0.04 0.15 0.21 -0.22 -0.18 0.00 0.00 178.31 178.30 2r8u h LYS 83 N 0.33 0.54 -0.53 1.51 3.64 -0.81 0.81 116.57 122.06 2r8u h LYS 83 Ca 0.15 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2r8u h LYS 83 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2r8u h LYS 83 CO -0.12 0.45 0.33 -0.09 -2.27 0.00 0.00 179.45 177.75 2r8u h ARG 84 N 0.49 0.72 -0.63 1.90 2.43 -0.50 -2.33 114.38 116.46 2r8u h ARG 84 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2r8u h ARG 84 Cb 0.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2r8u h ARG 84 CO -0.02 0.50 0.00 -1.33 -1.51 0.00 0.00 179.97 177.61 2r8u n MET 85 N -4.43 2.61 -1.84 0.20 2.81 -0.14 -4.94 117.12 111.39 2r8u n MET 85 Ca 0.05 -2.49 -0.04 0.00 -1.81 0.00 0.00 57.70 53.40 2r8u n MET 85 Cb 0.07 -1.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.03 2r8u n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r8u n GLY 86 N 1.60 0.32 3.69 3.03 0.00 -0.11 -0.62 105.19 113.10 2r8u n GLY 86 Ca 0.23 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2r8u n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r8u s VAL 87 N -2.20 4.73 -0.81 1.61 1.01 0.09 -4.71 120.40 120.13 2r8u s VAL 87 Ca 0.00 2.00 0.17 0.00 0.00 0.00 0.00 61.98 64.15 2r8u s VAL 87 Cb 0.00 -4.29 0.68 0.00 0.00 0.00 0.00 36.38 32.78 2r8u s VAL 87 CO 0.00 -0.00 1.60 -0.90 0.00 0.00 0.00 175.10 175.80 2r8u n ASP 88 N 5.07 4.71 -4.70 3.32 5.75 -1.26 -4.59 116.55 124.84 2r8u n ASP 88 Ca 0.09 -2.59 -0.42 0.00 -0.01 0.00 0.00 54.79 51.86 2r8u n ASP 88 Cb 0.48 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 2r8u n ASP 88 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2r8u s LYS 89 N -2.10 4.40 0.02 0.11 2.47 -1.26 -5.04 119.74 118.34 2r8u s LYS 89 Ca 0.49 1.74 -0.26 0.00 -1.56 0.00 0.00 55.97 56.37 2r8u s LYS 89 Cb 0.33 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 33.22 2r8u s LYS 89 CO 0.20 -0.33 0.81 0.42 0.16 0.00 0.00 175.35 176.61 2r8u s ILE 90 N 1.52 4.79 -0.22 5.43 1.01 -1.26 -5.04 121.20 127.42 2r8u s ILE 90 Ca 0.58 1.72 -0.16 0.00 0.00 0.00 0.00 60.65 62.79 2r8u s ILE 90 Cb -0.28 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2r8u s ILE 90 CO 0.27 0.30 0.41 -0.63 0.00 0.00 0.00 174.94 175.29 2r8u s ILE 91 N 0.29 5.17 -1.30 2.92 1.01 -1.26 -5.00 121.20 123.04 2r8u s ILE 91 Ca 0.42 0.71 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 2r8u s ILE 91 Cb -0.20 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2r8u s ILE 91 CO 0.24 0.21 2.27 -0.81 0.00 0.00 0.00 174.94 176.84 2r8u n PRO 92 N 4.80 2.64 -0.19 2.79 -0.04 -1.26 -4.80 135.00 138.95 2r8u n PRO 92 Ca -0.08 -2.30 -0.01 0.00 -0.04 0.00 0.00 63.50 61.07 2r8u n PRO 92 Cb 0.51 -3.08 0.10 0.00 -0.04 0.00 0.00 33.50 30.98 2r8u n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2r8u h VAL 93 N 3.91 0.79 -0.97 0.52 2.07 -2.00 -1.57 116.25 119.00 2r8u h VAL 93 Ca 0.58 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 68.06 2r8u h VAL 93 Cb 0.56 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2r8u h VAL 93 CO 1.86 0.07 0.61 -2.24 0.02 0.00 0.00 177.57 177.90 2r8u h ASP 94 N 0.40 0.92 0.42 0.57 2.03 -2.00 -1.52 116.42 117.25 2r8u h ASP 94 Ca 0.29 0.04 -0.18 0.00 -0.73 0.00 0.00 57.03 56.44 2r8u h ASP 94 Cb 0.34 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 2r8u h ASP 94 CO -0.29 0.53 -0.77 0.11 -1.03 0.00 0.00 179.24 177.80 2r8u h LYS 95 N 1.02 0.27 -0.09 4.15 1.79 -1.71 -3.28 116.57 118.72 2r8u h LYS 95 Ca 0.46 -0.24 -0.06 0.00 -2.18 0.00 0.00 60.65 58.62 2r8u h LYS 95 Cb 0.36 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2r8u h LYS 95 CO -0.23 0.91 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.79 2r8u h LEU 96 N 0.18 0.33 -0.78 2.94 3.38 -0.89 -3.23 115.31 117.23 2r8u h LEU 96 Ca -0.03 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2r8u h LEU 96 Cb 1.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2r8u h LEU 96 CO 0.12 0.83 0.00 -0.37 0.09 0.00 0.00 178.44 179.11 2r8u h VAL 97 N -0.16 0.00 0.00 1.22 -1.51 -1.40 0.21 116.25 114.61 2r8u h VAL 97 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2r8u h VAL 97 Cb 0.78 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2r8u h VAL 97 CO 0.04 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.67 2r8u n LYS 98 N -2.46 0.02 -1.23 5.19 4.76 -1.22 -4.90 118.16 118.31 2r8u n LYS 98 Ca 0.02 0.18 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 2r8u n LYS 98 Cb 0.28 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2r8u n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2r8u n GLY 99 N 0.54 0.46 3.70 0.72 0.00 0.06 -4.98 105.19 105.69 2r8u n GLY 99 Ca 0.05 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2r8u n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8u s LYS 100 N -2.50 4.25 0.07 1.61 -0.14 -1.23 -4.74 119.74 117.06 2r8u s LYS 100 Ca 0.00 2.19 -0.29 0.00 -1.36 0.00 0.00 55.97 56.50 2r8u s LYS 100 Cb 0.00 -3.44 -0.18 0.00 -1.68 0.00 0.00 37.83 32.54 2r8u s LYS 100 CO 0.00 -0.60 1.62 0.35 -0.76 0.00 0.00 175.35 175.95 2r8u h PHE 101 N 7.59 -0.54 -0.86 3.18 3.04 -1.93 -1.59 116.94 125.83 2r8u h PHE 101 Ca -0.41 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.50 2r8u h PHE 101 Cb 1.20 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.85 2r8u h PHE 101 CO 0.72 -0.32 0.44 0.37 -2.02 0.00 0.00 178.31 177.50 2r8u h GLN 102 N -0.62 1.22 -0.39 1.11 5.75 -1.99 0.24 115.11 120.43 2r8u h GLN 102 Ca -0.06 -0.16 -0.12 0.00 -0.15 0.00 0.00 58.65 58.16 2r8u h GLN 102 Cb 0.47 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2r8u h GLN 102 CO 0.10 0.91 -0.21 -0.44 -2.65 0.00 0.00 178.83 176.54 2r8u h ASP 103 N 1.21 0.86 -0.37 -0.69 3.32 -1.91 -1.20 116.42 117.64 2r8u h ASP 103 Ca 0.30 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2r8u h ASP 103 Cb 0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2r8u h ASP 103 CO -0.04 1.09 -0.06 0.78 -1.72 0.00 0.00 179.24 179.29 2r8u h ASN 104 N 0.64 0.76 -0.24 6.45 2.35 -0.69 -1.22 115.58 123.63 2r8u h ASN 104 Ca 0.08 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2r8u h ASN 104 Cb 0.77 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2r8u h ASN 104 CO 0.06 0.86 -0.18 0.15 -1.65 0.00 0.00 177.43 176.67 2r8u h PHE 105 N 0.72 0.65 -0.49 1.19 -0.00 -0.41 -0.91 116.94 117.69 2r8u h PHE 105 Ca 0.13 -0.18 0.00 0.00 -0.00 0.00 0.00 57.97 57.92 2r8u h PHE 105 Cb 0.52 -0.14 -0.02 0.00 -0.00 0.00 0.00 35.95 36.30 2r8u h PHE 105 CO 0.03 0.85 0.31 1.49 -0.00 0.00 0.00 178.31 180.99 2r8u h GLU 106 N 0.27 0.66 -0.50 1.11 4.81 -1.13 -1.33 114.58 118.47 2r8u h GLU 106 Ca 0.05 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2r8u h GLU 106 Cb 0.72 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2r8u h GLU 106 CO 0.05 0.46 -0.02 0.35 -0.73 0.00 0.00 179.01 179.12 2r8u h PHE 107 N 0.67 0.98 -0.04 0.92 3.57 -1.13 -2.47 116.94 119.44 2r8u h PHE 107 Ca 0.18 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2r8u h PHE 107 Cb -0.04 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2r8u h PHE 107 CO -0.03 0.93 -0.44 -0.24 -2.23 0.00 0.00 178.31 176.29 2r8u h VAL 108 N 0.76 1.32 -0.59 1.41 3.04 -1.01 0.78 116.25 121.95 2r8u h VAL 108 Ca 0.14 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 2r8u h VAL 108 Cb 0.55 1.79 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 2r8u h VAL 108 CO 0.03 0.45 0.39 1.56 -1.01 0.00 0.00 177.57 178.99 2r8u h GLN 109 N 0.07 0.79 -0.09 4.17 1.08 -1.04 -0.61 115.11 119.47 2r8u h GLN 109 Ca 0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2r8u h GLN 109 Cb 0.81 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2r8u h GLN 109 CO 0.06 0.53 0.04 2.35 -0.95 0.00 0.00 178.83 180.87 2r8u h TRP 110 N 0.80 0.13 -0.78 2.96 7.01 -1.05 -2.92 115.95 122.11 2r8u h TRP 110 Ca 0.22 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 2r8u h TRP 110 Cb -0.08 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2r8u h TRP 110 CO -0.03 0.20 0.41 0.35 -2.79 0.00 0.00 178.44 176.58 2r8u h PHE 111 N 0.02 1.07 -0.79 2.65 3.04 -0.35 0.35 116.94 122.93 2r8u h PHE 111 Ca 0.03 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2r8u h PHE 111 Cb 0.12 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 38.26 2r8u h PHE 111 CO -0.03 0.75 0.38 -0.22 -2.02 0.00 0.00 178.31 177.17 2r8u h LYS 112 N 1.09 1.14 -0.70 1.11 1.63 -1.11 0.25 116.57 119.98 2r8u h LYS 112 Ca 0.27 -0.17 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2r8u h LYS 112 Cb 0.05 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 2r8u h LYS 112 CO -0.04 0.89 0.20 0.87 -3.45 0.00 0.00 179.45 177.91 2r8u h LYS 113 N 1.12 1.09 -0.15 1.90 1.57 -1.08 0.89 116.57 121.92 2r8u h LYS 113 Ca 0.27 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2r8u h LYS 113 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2r8u h LYS 113 CO -0.03 0.95 0.10 0.35 -0.57 0.00 0.00 179.45 180.24 2r8u h PHE 114 N 1.05 0.19 -0.08 -1.35 3.04 -0.49 -1.55 116.94 117.75 2r8u h PHE 114 Ca 0.22 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.21 2r8u h PHE 114 Cb 0.32 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 2r8u h PHE 114 CO 0.03 0.12 -0.16 0.35 -2.02 0.00 0.00 178.31 176.62 2r8u h PHE 115 N 0.20 -0.42 0.00 0.41 3.04 -0.15 -2.45 116.94 117.56 2r8u h PHE 115 Ca 0.05 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 2r8u h PHE 115 Cb -0.02 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2r8u h PHE 115 CO -0.07 -0.24 -0.19 -0.44 -2.02 0.00 0.00 178.31 175.36 2r8u h ASP 116 N -0.23 0.00 1.39 0.41 3.32 -0.59 0.10 116.42 120.82 2r8u h ASP 116 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2r8u h ASP 116 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2r8u h ASP 116 CO -0.21 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 2r8u h ALA 117 N 1.81 1.00 0.00 3.45 0.00 -0.82 -3.35 119.26 121.35 2r8u h ALA 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r8u h ALA 117 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2r8u h ALA 117 CO 0.02 0.00 -0.60 0.09 0.00 0.00 0.00 179.25 178.77 2r8u n ASN 118 N -2.71 2.83 -4.72 0.00 4.13 -0.44 -4.83 115.26 109.53 2r8u n ASN 118 Ca 0.03 -0.22 -0.42 0.00 1.68 0.00 0.00 54.58 55.66 2r8u n ASN 118 Cb 0.39 1.01 -0.03 0.00 -1.54 0.00 0.00 39.78 39.61 2r8u n ASN 118 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2r8u s TYR 119 N -1.61 3.23 -2.68 3.10 6.04 0.22 -4.92 117.35 120.73 2r8u s TYR 119 Ca -0.00 0.99 0.23 0.00 0.04 0.00 0.00 57.07 58.32 2r8u s TYR 119 Cb 0.00 -3.68 0.25 0.00 -1.04 0.00 0.00 41.96 37.49 2r8u s TYR 119 CO 0.02 -2.35 1.27 -0.40 -1.54 0.00 0.00 175.55 172.54 2r8u n ASP 120 N 3.67 3.05 0.00 4.32 3.85 -1.26 -4.97 116.55 125.21 2r8u n ASP 120 Ca 0.11 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 2r8u n ASP 120 Cb 0.42 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 2r8u n ASP 120 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8u n GLY 121 N 1.32 0.76 3.71 6.12 0.00 -1.26 -5.03 105.19 110.80 2r8u n GLY 121 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2r8u n GLY 121 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2r8u n LYS 122 N -2.25 1.65 -1.83 1.61 2.85 -1.26 -4.94 118.16 113.99 2r8u n LYS 122 Ca 0.00 0.60 -0.40 0.00 -1.05 0.00 0.00 58.31 57.47 2r8u n LYS 122 Cb 0.00 -2.43 0.02 0.00 -0.65 0.00 0.00 35.03 31.96 2r8u n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2r8u s ASP 123 N -0.82 5.86 -0.22 -5.58 1.01 -1.26 -5.02 116.67 110.64 2r8u s ASP 123 Ca 0.68 2.87 -0.10 0.00 0.71 0.00 0.00 52.55 56.71 2r8u s ASP 123 Cb -0.45 -2.65 0.09 0.00 1.01 0.00 0.00 42.92 40.92 2r8u s ASP 123 CO 0.52 -1.18 0.50 -0.47 0.21 0.00 0.00 175.17 174.76 2r8u s TYR 124 N -1.22 -0.88 -0.43 4.23 5.04 -1.26 -5.10 117.35 117.72 2r8u s TYR 124 Ca 0.62 1.70 -0.09 0.00 -2.44 0.00 0.00 57.07 56.85 2r8u s TYR 124 Cb -0.43 0.44 0.09 0.00 0.35 0.00 0.00 41.96 42.41 2r8u s TYR 124 CO 0.54 -0.48 0.28 0.34 -1.34 0.00 0.00 175.55 174.89 2r8u s ASP 125 N 2.13 5.64 0.32 4.32 -1.08 -1.26 -4.95 116.67 121.80 2r8u s ASP 125 Ca -0.06 -1.63 0.11 0.00 -0.52 0.00 0.00 52.55 50.45 2r8u s ASP 125 Cb -0.10 -1.99 0.55 0.00 -1.46 0.00 0.00 42.92 39.92 2r8u s ASP 125 CO -0.15 -0.58 1.73 1.55 0.52 0.00 0.00 175.17 178.23 2r8u h PRO 126 N 8.41 0.02 -0.11 4.34 0.13 -1.86 -1.49 132.00 141.44 2r8u h PRO 126 Ca -0.22 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 2r8u h PRO 126 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2r8u h PRO 126 CO 0.78 0.49 -0.17 0.28 -0.23 0.00 0.00 178.00 179.16 2r8u h VAL 127 N 0.02 1.38 -0.63 1.56 2.07 -1.92 -2.61 116.25 116.11 2r8u h VAL 127 Ca -0.00 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.20 2r8u h VAL 127 Cb 0.85 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 2r8u h VAL 127 CO 0.06 0.40 0.26 0.00 0.02 0.00 0.00 177.57 178.32 2r8u h ALA 128 N 0.54 0.83 -0.78 1.67 0.00 -1.70 -1.75 119.26 118.08 2r8u h ALA 128 Ca 0.01 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2r8u h ALA 128 Cb 0.73 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2r8u h ALA 128 CO 0.04 -0.15 0.51 0.00 0.00 0.00 0.00 179.25 179.65 2r8u h ALA 129 N 1.41 1.72 0.00 0.00 0.00 -1.17 1.32 119.26 122.55 2r8u h ALA 129 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2r8u h ALA 129 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2r8u h ALA 129 CO -0.29 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.63 2r8u n ARG 130 N -4.50 0.56 -1.27 0.00 1.74 -0.71 -4.85 116.66 107.62 2r8u n ARG 130 Ca 0.12 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.15 2r8u n ARG 130 Cb 0.28 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2r8u n ARG 130 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2r8u n GLN 131 N -1.16 -0.55 0.00 5.56 6.02 0.45 -5.11 117.38 122.59 2r8u n GLN 131 Ca 0.15 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2r8u n GLN 131 Cb 0.15 -4.59 0.00 0.00 1.02 0.00 0.00 30.24 26.82 2r8u n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8u n GLY 132 N -1.98 2.69 0.00 1.08 0.00 -0.88 -4.99 105.19 101.11 2r8u n GLY 132 Ca -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2r8u n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r8u n GLY 187 N 5.00 1.56 0.06 -0.02 0.00 -1.26 -4.34 105.19 106.19 2r8u n GLY 187 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2r8u n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r8u n ASN 188 N 0.00 2.81 0.00 1.61 2.85 -1.26 -5.08 115.26 116.19 2r8u n ASN 188 Ca 0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2r8u n ASN 188 Cb 0.00 0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.08 2r8u n ASN 188 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2r8u n GLY 189 N 2.72 0.88 0.26 8.20 0.00 -1.26 -5.40 105.19 110.60 2r8u n GLY 189 Ca -0.22 0.55 0.15 0.00 0.00 0.00 0.00 46.02 46.50 2r8u n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66