#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3r s LYS 34 N 0.00 2.79 0.12 5.31 1.02 -1.26 -4.93 119.74 122.80 1p3r s LYS 34 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.70 1p3r s LYS 34 Cb 0.00 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1p3r s LYS 34 CO 0.00 -0.93 0.04 0.95 -0.92 0.00 0.00 175.35 174.49 1p3r s THR 35 N 1.54 4.13 0.47 2.17 -4.23 -1.26 -4.98 115.64 113.47 1p3r s THR 35 Ca 0.03 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.71 1p3r s THR 35 Cb -0.23 -3.02 0.42 0.00 1.34 0.00 0.00 72.50 71.01 1p3r s THR 35 CO 0.05 0.03 1.87 0.44 -0.54 0.00 0.00 174.62 176.47 1p3r h ASP 36 N 3.06 0.24 -0.47 3.99 5.19 -1.99 0.16 116.42 126.60 1p3r h ASP 36 Ca -0.47 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 1p3r h ASP 36 Cb 1.18 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1p3r h ASP 36 CO 0.61 0.09 -0.08 -0.08 -3.12 0.00 0.00 179.24 176.65 1p3r h GLU 37 N 0.23 0.89 0.03 3.56 4.81 -1.99 -1.23 114.58 120.88 1p3r h GLU 37 Ca 0.45 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1p3r h GLU 37 Cb 1.39 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1p3r h GLU 37 CO -0.11 0.97 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.20 1p3r h TYR 38 N 0.74 -0.04 -0.89 0.92 5.03 -1.08 -2.74 116.97 118.90 1p3r h TYR 38 Ca 0.12 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.45 1p3r h TYR 38 Cb 0.62 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.87 1p3r h TYR 38 CO 0.05 0.26 0.59 -0.07 -1.32 0.00 0.00 178.16 177.66 1p3r h LEU 39 N -0.34 1.00 -0.95 2.82 4.07 -1.27 -1.37 115.31 119.27 1p3r h LEU 39 Ca -0.00 -0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1p3r h LEU 39 Cb 0.31 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1p3r h LEU 39 CO 0.01 0.71 0.63 0.25 -1.08 0.00 0.00 178.44 178.95 1p3r h LEU 40 N 1.18 1.06 -0.61 1.67 5.85 -1.18 -0.95 115.31 122.33 1p3r h LEU 40 Ca 0.34 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 1p3r h LEU 40 Cb -0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1p3r h LEU 40 CO -0.09 0.74 -0.60 0.00 -0.34 0.00 0.00 178.44 178.15 1p3r h ALA 41 N 1.37 0.80 -0.12 1.25 0.00 -1.11 -1.83 119.26 119.62 1p3r h ALA 41 Ca 0.37 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1p3r h ALA 41 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1p3r h ALA 41 CO -0.10 0.72 -0.02 -0.09 0.00 0.00 0.00 179.25 179.76 1p3r h ARG 42 N 0.24 0.23 -0.19 0.00 2.43 -0.52 -3.27 114.38 113.28 1p3r h ARG 42 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1p3r h ARG 42 Cb 1.12 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1p3r h ARG 42 CO 0.10 0.51 0.00 1.19 -1.51 0.00 0.00 179.97 180.26 1p3r n PHE 43 N -4.75 0.24 -2.57 2.20 3.72 -0.43 -4.03 117.46 111.83 1p3r n PHE 43 Ca -0.06 -0.12 -0.37 0.00 -0.05 0.00 0.00 57.45 56.85 1p3r n PHE 43 Cb 0.23 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1p3r n PHE 43 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1p3r s LYS 44 N -1.76 4.24 7.85 -1.08 2.20 -0.69 -0.83 119.74 129.67 1p3r s LYS 44 Ca 0.34 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1p3r s LYS 44 Cb 0.20 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1p3r s LYS 44 CO 0.29 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1p3r n GLY 45 N 0.38 3.26 0.00 5.54 0.00 -1.26 -2.12 105.19 110.98 1p3r n GLY 45 Ca 0.04 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.07 1p3r n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p3r n ASP 46 N 8.42 0.00 0.00 1.61 8.00 -1.26 -4.71 116.55 128.61 1p3r n ASP 46 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1p3r n ASP 46 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1p3r n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p3r n GLY 47 N 1.03 1.83 3.78 0.44 0.00 -0.90 -4.70 105.19 106.66 1p3r n GLY 47 Ca 0.23 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1p3r n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3r s VAL 48 N 0.00 4.19 -0.01 1.61 1.01 0.42 -4.91 120.40 122.71 1p3r s VAL 48 Ca 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.45 1p3r s VAL 48 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1p3r s VAL 48 CO 0.00 -0.36 -0.03 -0.75 0.00 0.00 0.00 175.10 173.97 1p3r s LYS 49 N -3.80 0.35 -0.02 2.72 2.20 -1.26 -0.65 119.74 119.29 1p3r s LYS 49 Ca 0.32 -0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1p3r s LYS 49 Cb -0.07 -0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1p3r s LYS 49 CO 0.24 -0.00 -0.12 0.71 -0.36 0.00 0.00 175.35 175.81 1p3r s TYR 50 N 0.35 1.18 0.16 4.03 2.02 -0.00 -4.95 117.35 120.13 1p3r s TYR 50 Ca -0.03 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1p3r s TYR 50 Cb -0.07 -0.79 -0.07 0.00 -0.40 0.00 0.00 41.96 40.64 1p3r s TYR 50 CO -0.01 -0.07 0.98 0.21 -1.57 0.00 0.00 175.55 175.10 1p3r s LYS 51 N -0.10 4.72 0.01 -0.62 2.47 -1.26 0.11 119.74 125.07 1p3r s LYS 51 Ca 0.01 1.51 -0.01 0.00 -1.56 0.00 0.00 55.97 55.92 1p3r s LYS 51 Cb -0.07 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1p3r s LYS 51 CO 0.00 0.27 0.04 0.00 0.16 0.00 0.00 175.35 175.82 1p3r n ALA 52 N 2.38 -0.09 -2.80 3.13 0.00 -0.40 -1.95 120.51 120.76 1p3r n ALA 52 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 1p3r n ALA 52 Cb 0.48 0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1p3r n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p3r s LYS 53 N -2.00 0.48 -0.45 0.00 1.02 0.21 -0.48 119.74 118.52 1p3r s LYS 53 Ca 0.01 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 1p3r s LYS 53 Cb -0.00 -0.37 0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1p3r s LYS 53 CO 0.00 0.09 0.79 -1.17 -0.92 0.00 0.00 175.35 174.14 1p3r s LEU 54 N -0.77 4.24 0.14 3.17 2.96 -0.44 -1.30 118.68 126.68 1p3r s LEU 54 Ca -0.03 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1p3r s LEU 54 Cb -0.06 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1p3r s LEU 54 CO 0.00 -0.92 1.48 0.40 -1.32 0.00 0.00 176.35 176.00 1p3r h ILE 55 N 5.98 1.27 0.00 6.68 2.04 -1.30 -3.35 117.51 128.83 1p3r h ILE 55 Ca -0.25 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1p3r h ILE 55 Cb 1.09 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1p3r h ILE 55 CO 0.96 0.52 0.00 0.61 0.00 0.00 0.00 178.15 180.24 1p3r n GLY 56 N 0.11 -0.07 3.08 5.37 0.00 -1.18 -4.75 105.19 107.75 1p3r n GLY 56 Ca -0.02 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 1p3r n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p3r s ILE 57 N -2.00 1.05 -0.04 -0.61 1.01 -1.26 -1.60 121.20 117.75 1p3r s ILE 57 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1p3r s ILE 57 Cb 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1p3r s ILE 57 CO 0.00 0.30 0.10 -0.62 0.00 0.00 0.00 174.94 174.72 1p3r s ASP 58 N -0.17 -0.06 0.12 3.58 2.15 -0.53 -4.97 116.67 116.78 1p3r s ASP 58 Ca 0.02 0.19 -0.30 0.00 0.43 0.00 0.00 52.55 52.90 1p3r s ASP 58 Cb -0.07 0.12 -0.07 0.00 -0.30 0.00 0.00 42.92 42.61 1p3r s ASP 58 CO 0.00 -0.10 1.17 -1.81 -0.17 0.00 0.00 175.17 174.25 1p3r s ASP 59 N 0.76 7.14 0.12 -0.34 1.01 -1.26 0.22 116.67 124.31 1p3r s ASP 59 Ca -0.06 2.07 0.08 0.00 0.71 0.00 0.00 52.55 55.36 1p3r s ASP 59 Cb -0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1p3r s ASP 59 CO -0.03 -0.38 -0.20 0.68 0.21 0.00 0.00 175.17 175.45 1p3r s VAL 60 N 0.48 1.70 0.35 -1.27 -7.23 -0.44 -4.89 120.40 109.10 1p3r s VAL 60 Ca 0.55 -1.64 0.12 0.00 -1.81 0.00 0.00 61.98 59.19 1p3r s VAL 60 Cb -0.30 -1.61 0.08 0.00 0.56 0.00 0.00 36.38 35.10 1p3r s VAL 60 CO 0.32 -0.15 1.79 1.55 -0.31 0.00 0.00 175.10 178.31 1p3r h PRO 61 N 3.84 0.03 -5.26 4.82 0.13 -1.96 -3.36 132.00 130.24 1p3r h PRO 61 Ca -0.45 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.15 1p3r h PRO 61 Cb 1.19 -0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1p3r h PRO 61 CO 0.43 0.42 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.53 1p3r s ASP 62 N -6.92 2.76 0.25 1.44 1.11 -1.26 -4.89 116.67 109.15 1p3r s ASP 62 Ca -0.03 -1.44 0.24 0.00 0.18 0.00 0.00 52.55 51.50 1p3r s ASP 62 Cb 0.14 -0.01 0.38 0.00 1.07 0.00 0.00 42.92 44.51 1p3r s ASP 62 CO 0.73 -0.65 1.45 0.00 1.18 0.00 0.00 175.17 177.89 1p3r h ALA 63 N 1.97 0.78 -2.63 5.23 0.00 -1.97 -3.46 119.26 119.18 1p3r h ALA 63 Ca -0.41 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1p3r h ALA 63 Cb 1.25 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1p3r h ALA 63 CO 0.70 0.00 -0.37 1.03 0.00 0.00 0.00 179.25 180.61 1p3r s ARG 64 N -3.21 1.18 0.00 0.00 0.52 -1.26 -3.93 118.95 112.25 1p3r s ARG 64 Ca 0.06 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1p3r s ARG 64 Cb 0.10 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.93 1p3r s ARG 64 CO 0.69 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.00 1p3r n GLY 65 N -0.22 3.69 0.06 -3.53 0.00 -1.26 -4.89 105.19 99.05 1p3r n GLY 65 Ca -0.06 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1p3r n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p3r h ASP 66 N 0.00 0.04 -0.33 1.61 3.45 -2.00 -1.84 116.42 117.35 1p3r h ASP 66 Ca 0.00 -0.52 -0.05 0.00 0.43 0.00 0.00 57.03 56.89 1p3r h ASP 66 Cb 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1p3r h ASP 66 CO 0.00 0.55 0.02 0.50 -1.57 0.00 0.00 179.24 178.74 1p3r h LYS 67 N -0.47 0.58 -0.63 3.56 3.11 -1.99 -1.19 116.57 119.53 1p3r h LYS 67 Ca 0.00 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1p3r h LYS 67 Cb 0.54 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 1p3r h LYS 67 CO 0.00 0.69 0.40 1.98 -2.81 0.00 0.00 179.45 179.71 1p3r h MET 68 N 0.39 0.85 -0.54 1.90 4.05 -1.90 -1.22 114.93 118.45 1p3r h MET 68 Ca 0.10 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1p3r h MET 68 Cb 0.41 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1p3r h MET 68 CO 0.01 0.59 -0.10 0.77 0.23 0.00 0.00 176.91 178.41 1p3r h SER 69 N 0.86 1.00 -0.39 1.39 0.02 -1.20 -2.66 113.55 112.57 1p3r h SER 69 Ca 0.23 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1p3r h SER 69 Cb -0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1p3r h SER 69 CO -0.05 1.10 0.14 -0.61 -1.14 0.00 0.00 176.83 176.28 1p3r h GLN 70 N 0.89 0.60 -0.59 3.45 4.15 -0.93 -1.33 115.11 121.35 1p3r h GLN 70 Ca 0.14 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1p3r h GLN 70 Cb 0.65 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1p3r h GLN 70 CO 0.05 0.58 0.34 -0.44 -1.93 0.00 0.00 178.83 177.42 1p3r h ASP 71 N 0.49 0.52 -0.14 -0.69 3.45 -1.14 0.10 116.42 119.01 1p3r h ASP 71 Ca 0.13 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1p3r h ASP 71 Cb 0.22 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1p3r h ASP 71 CO -0.01 0.35 0.05 0.28 -1.57 0.00 0.00 179.24 178.34 1p3r h SER 72 N 0.65 0.20 -0.60 6.45 0.02 -1.31 -1.72 113.55 117.23 1p3r h SER 72 Ca 0.25 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1p3r h SER 72 Cb 0.11 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1p3r h SER 72 CO -0.14 0.34 0.36 -0.03 -1.14 0.00 0.00 176.83 176.21 1p3r h MET 73 N 0.05 0.68 -0.57 3.45 1.85 -0.94 0.37 114.93 119.83 1p3r h MET 73 Ca 0.05 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 1p3r h MET 73 Cb 0.21 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1p3r h MET 73 CO -0.00 0.45 0.05 0.52 -0.40 0.00 0.00 176.91 177.53 1p3r h MET 74 N 0.71 0.97 -0.27 0.39 2.07 -0.90 -0.75 114.93 117.15 1p3r h MET 74 Ca 0.25 -0.29 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 1p3r h MET 74 Cb 0.05 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.67 1p3r h MET 74 CO -0.11 0.95 -0.03 -0.22 1.07 0.00 0.00 176.91 178.57 1p3r h LYS 75 N 0.86 0.50 -0.53 1.72 3.64 -1.02 -1.07 116.57 120.67 1p3r h LYS 75 Ca 0.17 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1p3r h LYS 75 Cb 0.48 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1p3r h LYS 75 CO 0.02 0.68 0.10 -0.07 -2.27 0.00 0.00 179.45 177.91 1p3r h LEU 76 N 0.27 0.78 -0.72 5.20 3.38 -0.82 -0.91 115.31 122.48 1p3r h LEU 76 Ca 0.07 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1p3r h LEU 76 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1p3r h LEU 76 CO 0.02 0.78 -0.41 0.11 0.09 0.00 0.00 178.44 179.03 1p3r h LYS 77 N 0.79 0.49 -0.50 1.13 1.57 -1.05 -0.20 116.57 118.80 1p3r h LYS 77 Ca 0.17 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1p3r h LYS 77 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1p3r h LYS 77 CO 0.00 0.82 0.26 0.78 -0.57 0.00 0.00 179.45 180.74 1p3r h GLY 78 N 1.10 0.76 0.97 3.86 0.00 -0.48 -1.49 103.07 107.80 1p3r h GLY 78 Ca 0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1p3r h GLY 78 CO 0.08 0.34 -0.02 -0.33 0.00 0.00 0.00 176.54 176.61 1p3r h MET 79 N 0.66 0.78 -0.31 4.80 2.86 -0.93 -1.93 114.93 120.86 1p3r h MET 79 Ca 0.17 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1p3r h MET 79 Cb 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1p3r h MET 79 CO -0.03 0.85 0.07 0.00 1.06 0.00 0.00 176.91 178.87 1p3r h ALA 80 N 0.89 1.55 -0.27 6.32 0.00 -0.89 -1.82 119.26 125.05 1p3r h ALA 80 Ca 0.12 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1p3r h ALA 80 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1p3r h ALA 80 CO 0.03 0.34 -0.54 0.00 0.00 0.00 0.00 179.25 179.08 1p3r h ALA 81 N 1.64 0.53 -0.77 0.00 0.00 -1.01 -1.03 119.26 118.62 1p3r h ALA 81 Ca 0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1p3r h ALA 81 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1p3r h ALA 81 CO -0.00 0.68 0.43 0.00 0.00 0.00 0.00 179.25 180.35 1p3r h ALA 82 N 0.76 1.29 -0.30 0.00 0.00 -0.86 -2.19 119.26 117.95 1p3r h ALA 82 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1p3r h ALA 82 Cb 1.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1p3r h ALA 82 CO 0.12 0.58 -0.29 0.78 0.00 0.00 0.00 179.25 180.43 1p3r h GLY 83 N 1.11 0.80 1.96 0.00 0.00 -1.12 -3.12 103.07 102.69 1p3r h GLY 83 Ca 0.27 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1p3r h GLY 83 CO -0.04 0.74 -0.07 -0.09 0.00 0.00 0.00 176.54 177.07 1p3r h ARG 84 N 0.49 0.06 0.00 4.80 2.43 -0.83 0.03 114.38 121.36 1p3r h ARG 84 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1p3r h ARG 84 Cb 0.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1p3r h ARG 84 CO 0.07 0.14 0.00 -1.13 -1.51 0.00 0.00 179.97 177.54 1p3r n SER 85 N -4.42 0.08 -0.61 -3.80 3.41 -0.86 -2.20 113.62 105.23 1p3r n SER 85 Ca -0.02 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1p3r n SER 85 Cb 0.17 -0.53 0.20 0.00 -0.26 0.00 0.00 64.21 63.79 1p3r n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p3r n GLN 86 N -1.58 2.02 -1.00 4.33 1.13 -0.13 -4.97 117.38 117.18 1p3r n GLN 86 Ca 0.04 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.25 1p3r n GLN 86 Cb 0.20 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1p3r n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3r n GLY 87 N -1.01 0.67 3.72 1.08 0.00 -0.93 -5.03 105.19 103.70 1p3r n GLY 87 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1p3r n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p3r s GLN 88 N -0.03 4.24 0.24 1.61 -0.21 -0.44 -4.97 119.66 120.10 1p3r s GLN 88 Ca 0.00 0.02 0.09 0.00 0.02 0.00 0.00 55.36 55.49 1p3r s GLN 88 Cb 0.00 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1p3r s GLN 88 CO 0.00 0.24 0.02 -1.01 -2.12 0.00 0.00 175.29 172.42 1p3r s HIS 89 N 0.48 2.79 0.61 0.91 3.76 -1.26 -2.41 115.29 120.16 1p3r s HIS 89 Ca 0.15 -0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 54.69 1p3r s HIS 89 Cb -0.13 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 1p3r s HIS 89 CO 0.03 0.58 1.16 0.15 -0.85 0.00 0.00 174.74 175.80 1p3r s LYS 90 N -3.48 2.97 0.06 1.40 1.02 -1.26 -4.96 119.74 115.50 1p3r s LYS 90 Ca 0.30 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.63 1p3r s LYS 90 Cb -0.07 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.22 1p3r s LYS 90 CO 0.20 -1.16 1.33 -1.14 -0.92 0.00 0.00 175.35 173.65 1p3r s GLN 91 N -3.56 4.35 0.09 1.68 0.74 -1.26 -4.83 119.66 116.86 1p3r s GLN 91 Ca 0.73 1.94 -0.30 0.00 0.05 0.00 0.00 55.36 57.78 1p3r s GLN 91 Cb -0.26 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.43 1p3r s GLN 91 CO 0.34 -0.42 1.10 0.50 -0.55 0.00 0.00 175.29 176.26 1p3r s ARG 92 N 1.45 4.53 0.29 1.67 3.52 -1.26 -1.33 118.95 127.82 1p3r s ARG 92 Ca 0.62 1.65 0.03 0.00 -0.13 0.00 0.00 55.73 57.90 1p3r s ARG 92 Cb -0.33 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 1p3r s ARG 92 CO 0.29 -0.07 0.27 0.96 -0.81 0.00 0.00 175.30 175.93 1p3r s ILE 93 N 0.56 0.00 -0.07 4.11 -4.36 0.37 -2.01 121.20 119.80 1p3r s ILE 93 Ca 0.53 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 59.04 1p3r s ILE 93 Cb -0.27 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 1p3r s ILE 93 CO 0.31 0.00 -0.24 0.26 0.24 0.00 0.00 174.94 175.51 1p3r s TRP 94 N -3.62 2.48 -0.34 1.37 0.52 0.25 -1.28 118.94 118.32 1p3r s TRP 94 Ca 0.39 -0.75 -0.09 0.00 0.02 0.00 0.00 56.10 55.67 1p3r s TRP 94 Cb 0.03 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.75 1p3r s TRP 94 CO 0.22 -0.23 0.15 0.08 0.02 0.00 0.00 176.95 177.18 1p3r s VAL 95 N -0.10 4.24 -0.24 4.03 1.01 0.12 -1.63 120.40 127.83 1p3r s VAL 95 Ca -0.05 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1p3r s VAL 95 Cb -0.14 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1p3r s VAL 95 CO 0.04 -0.11 0.14 0.21 0.00 0.00 0.00 175.10 175.38 1p3r s ASN 96 N 1.51 5.88 -0.15 3.32 3.84 -0.42 -0.82 114.94 128.09 1p3r s ASN 96 Ca 0.01 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1p3r s ASN 96 Cb -0.19 -2.06 -0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1p3r s ASN 96 CO 0.05 0.04 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.62 1p3r s ILE 97 N 1.17 2.71 0.12 -5.21 1.01 0.18 -1.32 121.20 119.86 1p3r s ILE 97 Ca 0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1p3r s ILE 97 Cb -0.14 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.21 1p3r s ILE 97 CO 0.05 0.52 0.23 -1.54 0.00 0.00 0.00 174.94 174.20 1p3r n SER 98 N 3.91 -0.66 0.32 3.58 3.41 -0.70 -0.44 113.62 123.04 1p3r n SER 98 Ca -0.19 -1.48 0.21 0.00 -0.26 0.00 0.00 58.87 57.15 1p3r n SER 98 Cb 0.52 1.11 1.02 0.00 -0.26 0.00 0.00 64.21 66.60 1p3r n SER 98 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p3r h LEU 99 N 0.00 0.00 -0.18 1.04 4.07 -1.26 0.59 115.31 119.56 1p3r h LEU 99 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1p3r h LEU 99 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1p3r h LEU 99 CO 0.12 0.01 0.00 -1.20 -1.08 0.00 0.00 178.44 176.29 1p3r n SER 100 N -3.12 0.58 0.00 -0.43 7.64 -1.26 -4.75 113.62 112.27 1p3r n SER 100 Ca -0.02 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1p3r n SER 100 Cb 0.16 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1p3r n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p3r n GLY 101 N 0.90 0.59 3.46 0.23 0.00 0.20 -3.89 105.19 106.68 1p3r n GLY 101 Ca 0.05 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 1p3r n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p3r s ILE 102 N 0.00 3.19 -0.09 -0.61 1.01 -0.31 -1.71 121.20 122.68 1p3r s ILE 102 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1p3r s ILE 102 Cb 0.00 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1p3r s ILE 102 CO 0.00 0.57 -0.22 -0.54 0.00 0.00 0.00 174.94 174.75 1p3r s LYS 103 N -0.39 2.72 -0.30 2.79 1.02 -0.43 -0.10 119.74 125.05 1p3r s LYS 103 Ca 0.04 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.14 1p3r s LYS 103 Cb -0.12 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1p3r s LYS 103 CO 0.02 0.19 0.15 0.42 -0.92 0.00 0.00 175.35 175.21 1p3r s ILE 104 N 0.30 4.64 -0.06 2.17 -1.09 0.12 -1.31 121.20 125.97 1p3r s ILE 104 Ca -0.15 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 1p3r s ILE 104 Cb -0.17 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1p3r s ILE 104 CO 0.07 0.11 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.04 1p3r s ILE 105 N 1.63 2.33 0.10 2.92 1.01 -0.64 -0.28 121.20 128.26 1p3r s ILE 105 Ca 0.05 -0.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1p3r s ILE 105 Cb -0.17 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 1p3r s ILE 105 CO 0.06 0.57 1.41 -0.62 0.00 0.00 0.00 174.94 176.36 1p3r s ASP 106 N -0.26 6.81 0.27 3.58 2.15 -0.52 -0.59 116.67 128.11 1p3r s ASP 106 Ca -0.00 2.31 0.04 0.00 0.43 0.00 0.00 52.55 55.33 1p3r s ASP 106 Cb -0.13 -2.58 0.38 0.00 -0.30 0.00 0.00 42.92 40.29 1p3r s ASP 106 CO 0.03 -0.68 1.67 -0.08 -0.17 0.00 0.00 175.17 175.94 1p3r h GLU 107 N 7.01 0.36 -0.03 4.34 4.81 -1.70 -0.42 114.58 128.95 1p3r h GLU 107 Ca -0.42 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 58.57 1p3r h GLU 107 Cb 1.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1p3r h GLU 107 CO 0.87 0.70 -0.27 0.87 -0.73 0.00 0.00 179.01 180.45 1p3r h LYS 108 N 0.30 0.24 0.00 1.92 1.79 -1.91 -3.38 116.57 115.52 1p3r h LYS 108 Ca 0.03 -0.22 -0.23 0.00 -2.18 0.00 0.00 60.65 58.05 1p3r h LYS 108 Cb 0.83 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 1p3r h LYS 108 CO 0.07 0.90 -1.98 0.25 -1.08 0.00 0.00 179.45 177.61 1p3r n THR 109 N -4.48 1.09 -0.64 -0.16 -2.24 -1.24 -4.98 114.28 101.61 1p3r n THR 109 Ca -0.09 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1p3r n THR 109 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1p3r n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p3r n GLY 110 N 1.54 0.76 3.74 3.38 0.00 -0.17 -5.02 105.19 109.41 1p3r n GLY 110 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1p3r n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3r s VAL 111 N -2.69 3.45 -0.54 1.61 1.01 -1.26 -4.76 120.40 117.22 1p3r s VAL 111 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 1p3r s VAL 111 Cb 0.00 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1p3r s VAL 111 CO 0.00 0.20 1.13 -0.63 0.00 0.00 0.00 175.10 175.80 1p3r s ILE 112 N -0.10 4.15 0.04 2.22 1.01 -1.26 -1.44 121.20 125.81 1p3r s ILE 112 Ca 0.53 0.89 -0.18 0.00 0.00 0.00 0.00 60.65 61.90 1p3r s ILE 112 Cb -0.34 -4.65 -0.21 0.00 0.01 0.00 0.00 42.46 37.28 1p3r s ILE 112 CO 0.38 -1.19 1.18 -0.08 0.00 0.00 0.00 174.94 175.23 1p3r h GLU 113 N 9.40 0.52 -3.38 2.79 4.57 -1.00 -3.47 114.58 124.00 1p3r h GLU 113 Ca -0.25 -0.48 -0.14 0.00 -1.18 0.00 0.00 59.36 57.31 1p3r h GLU 113 Cb 1.06 0.12 -0.21 0.00 -0.16 0.00 0.00 28.75 29.56 1p3r h GLU 113 CO 1.15 1.12 -0.45 -1.01 -1.18 0.00 0.00 179.01 178.64 1p3r s HIS 114 N -3.46 -0.04 -0.08 0.92 3.76 -1.05 -4.98 115.29 110.36 1p3r s HIS 114 Ca -0.12 0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1p3r s HIS 114 Cb 0.05 -0.00 0.03 0.00 1.11 0.00 0.00 32.58 33.77 1p3r s HIS 114 CO 0.84 -0.28 0.03 -2.00 -0.85 0.00 0.00 174.74 172.48 1p3r s GLU 115 N -1.17 0.30 -0.28 1.40 2.12 -1.26 -0.71 118.70 119.10 1p3r s GLU 115 Ca -0.12 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.39 1p3r s GLU 115 Cb -0.06 -0.94 0.06 0.00 0.26 0.00 0.00 34.13 33.45 1p3r s GLU 115 CO 0.02 -0.37 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.30 1p3r s HIS 116 N 2.06 3.33 0.51 5.30 3.76 0.86 -5.00 115.29 126.10 1p3r s HIS 116 Ca 0.04 -2.29 -0.23 0.00 -0.15 0.00 0.00 55.06 52.43 1p3r s HIS 116 Cb -0.13 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.39 1p3r s HIS 116 CO -0.05 -0.87 1.40 -2.14 -0.85 0.00 0.00 174.74 172.23 1p3r s PRO 117 N 1.12 3.37 0.35 8.40 0.02 -1.26 -1.16 135.00 145.83 1p3r s PRO 117 Ca -0.06 2.34 0.10 0.00 0.02 0.00 0.00 61.00 63.40 1p3r s PRO 117 Cb -0.20 -2.43 0.85 0.00 0.02 0.00 0.00 34.50 32.74 1p3r s PRO 117 CO -0.04 -1.05 1.82 0.28 -0.33 0.00 0.00 177.00 177.68 1p3r h VAL 118 N 1.82 0.73 0.00 3.83 2.07 -1.86 0.73 116.25 123.58 1p3r h VAL 118 Ca -0.51 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1p3r h VAL 118 Cb 1.29 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1p3r h VAL 118 CO 0.59 0.12 0.00 -0.46 0.02 0.00 0.00 177.57 177.84 1p3r n ASN 119 N -4.64 0.00 -0.22 0.57 0.23 -1.26 -2.52 115.26 107.41 1p3r n ASN 119 Ca 0.21 -0.88 0.05 0.00 -0.53 0.00 0.00 54.58 53.43 1p3r n ASN 119 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1p3r n ASN 119 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1p3r n LYS 120 N -0.93 2.14 -3.26 -3.83 4.76 0.24 -4.91 118.16 112.37 1p3r n LYS 120 Ca 0.16 -0.59 -0.42 0.00 -2.87 0.00 0.00 58.31 54.59 1p3r n LYS 120 Cb 0.07 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.09 1p3r n LYS 120 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p3r s ILE 121 N -1.41 5.02 -0.46 -0.18 1.01 -1.05 -0.51 121.20 123.63 1p3r s ILE 121 Ca 0.08 -0.03 0.22 0.00 0.00 0.00 0.00 60.65 60.93 1p3r s ILE 121 Cb 0.08 -4.03 -0.20 0.00 0.01 0.00 0.00 42.46 38.32 1p3r s ILE 121 CO 0.27 -0.37 0.82 -1.54 0.00 0.00 0.00 174.94 174.12 1p3r n SER 122 N 5.75 0.50 -3.65 3.58 3.41 -0.48 -4.98 113.62 117.75 1p3r n SER 122 Ca -0.06 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.20 1p3r n SER 122 Cb 0.48 1.22 -0.08 0.00 -0.26 0.00 0.00 64.21 65.57 1p3r n SER 122 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1p3r s PHE 123 N -3.28 -0.88 -0.24 7.33 5.36 -1.19 -4.78 117.98 120.30 1p3r s PHE 123 Ca 0.00 1.91 -0.06 0.00 -0.96 0.00 0.00 56.93 57.82 1p3r s PHE 123 Cb 0.14 0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 43.23 1p3r s PHE 123 CO 0.85 -0.44 0.03 0.42 -1.46 0.00 0.00 175.22 174.63 1p3r s ILE 124 N 1.05 4.04 -0.25 3.12 -1.09 -1.26 -0.58 121.20 126.23 1p3r s ILE 124 Ca -0.06 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.06 1p3r s ILE 124 Cb -0.05 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1p3r s ILE 124 CO -0.10 0.37 -0.01 0.00 -1.23 0.00 0.00 174.94 173.97 1p3r s ALA 125 N 1.50 2.87 0.35 9.38 0.00 0.21 -4.98 121.76 131.09 1p3r s ALA 125 Ca 0.06 -1.29 -0.25 0.00 0.00 0.00 0.00 51.96 50.47 1p3r s ALA 125 Cb -0.15 -1.83 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1p3r s ALA 125 CO 0.02 -0.63 0.98 1.03 0.00 0.00 0.00 175.76 177.15 1p3r s ARG 126 N 1.46 4.45 -0.47 0.00 0.52 -1.26 -0.71 118.95 122.94 1p3r s ARG 126 Ca 0.04 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.51 1p3r s ARG 126 Cb -0.15 -2.69 0.11 0.00 0.52 0.00 0.00 34.95 32.73 1p3r s ARG 126 CO -0.02 0.15 0.36 0.34 0.02 0.00 0.00 175.30 176.15 1p3r s ASP 127 N -1.63 5.81 0.54 0.23 3.68 -1.25 -4.89 116.67 119.16 1p3r s ASP 127 Ca 0.53 -1.76 0.36 0.00 2.13 0.00 0.00 52.55 53.81 1p3r s ASP 127 Cb -0.19 -2.05 1.89 0.00 -1.45 0.00 0.00 42.92 41.11 1p3r s ASP 127 CO 0.24 -0.69 2.10 1.62 0.13 0.00 0.00 175.17 178.58 1p3r h VAL 128 N 6.05 0.00 -0.01 1.11 3.04 -1.95 -2.10 116.25 122.40 1p3r h VAL 128 Ca -0.24 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1p3r h VAL 128 Cb 1.08 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1p3r h VAL 128 CO 0.87 0.00 -0.28 0.35 -1.01 0.00 0.00 177.57 177.51 1p3r n THR 129 N -2.83 0.00 -3.68 3.17 -2.24 -1.26 -4.88 114.28 102.56 1p3r n THR 129 Ca -0.02 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1p3r n THR 129 Cb 0.11 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 1p3r n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p3r s ASP 130 N -2.45 0.28 0.00 3.42 -1.08 -0.79 -5.00 116.67 111.05 1p3r s ASP 130 Ca 0.24 0.50 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 1p3r s ASP 130 Cb 0.19 0.51 0.99 0.00 -1.46 0.00 0.00 42.92 43.15 1p3r s ASP 130 CO 0.51 -0.22 1.73 0.59 0.52 0.00 0.00 175.17 178.30 1p3r n ASN 131 N 5.03 0.00 -1.54 -0.34 5.03 -1.26 -3.38 115.26 118.80 1p3r n ASN 131 Ca -0.11 0.43 -0.11 0.00 0.87 0.00 0.00 54.58 55.66 1p3r n ASN 131 Cb 0.51 -0.47 0.09 0.00 -1.02 0.00 0.00 39.78 38.88 1p3r n ASN 131 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1p3r n ARG 132 N -1.47 2.65 -3.66 3.52 1.74 -1.26 -1.33 116.66 116.85 1p3r n ARG 132 Ca 0.06 -3.74 -0.13 0.00 -0.77 0.00 0.00 57.85 53.27 1p3r n ARG 132 Cb 0.25 -1.92 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 1p3r n ARG 132 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p3r s ALA 133 N -3.35 -1.05 0.11 7.54 0.00 -1.22 -1.40 121.76 122.39 1p3r s ALA 133 Ca 0.44 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.55 1p3r s ALA 133 Cb 0.39 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1p3r s ALA 133 CO -0.01 -0.43 1.07 -0.59 0.00 0.00 0.00 175.76 175.80 1p3r s PHE 134 N -2.23 -0.07 0.30 0.00 -0.12 -0.74 -3.80 117.98 111.33 1p3r s PHE 134 Ca -0.07 -0.19 -0.12 0.00 -0.05 0.00 0.00 56.93 56.50 1p3r s PHE 134 Cb -0.01 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1p3r s PHE 134 CO -0.01 -0.67 0.58 0.20 -0.05 0.00 0.00 175.22 175.27 1p3r s GLY 135 N -3.05 0.64 0.01 1.99 0.00 0.11 -0.82 107.32 106.21 1p3r s GLY 135 Ca 0.15 -0.92 -0.19 0.00 0.00 0.00 0.00 44.72 43.75 1p3r s GLY 135 CO 0.01 -0.57 0.42 -2.52 0.00 0.00 0.00 173.10 170.43 1p3r s TYR 136 N -3.43 -0.30 -0.10 1.90 -0.85 -0.89 0.64 117.35 114.32 1p3r s TYR 136 Ca 0.21 0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 57.09 1p3r s TYR 136 Cb -0.02 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 1p3r s TYR 136 CO 0.12 -0.52 0.08 0.08 -1.52 0.00 0.00 175.55 173.80 1p3r s VAL 137 N -1.89 5.00 0.13 -3.49 1.01 0.25 -1.05 120.40 120.36 1p3r s VAL 137 Ca -0.09 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1p3r s VAL 137 Cb -0.02 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1p3r s VAL 137 CO 0.02 0.61 0.29 0.00 0.00 0.00 0.00 175.10 176.02 1p3r n GLY 139 N -0.17 2.18 2.52 0.00 0.00 0.34 -2.03 105.19 108.03 1p3r n GLY 139 Ca -0.12 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.55 1p3r n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3r n GLY 140 N -0.79 -0.85 3.77 -0.02 0.00 -1.25 -4.81 105.19 101.23 1p3r n GLY 140 Ca 0.00 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1p3r n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p3r s GLU 141 N -4.71 3.75 0.00 1.61 2.12 -1.26 -2.30 118.70 117.91 1p3r s GLU 141 Ca 0.48 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1p3r s GLU 141 Cb -0.02 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1p3r s GLU 141 CO 0.33 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1p3r n GLY 142 N 0.58 0.70 2.46 -1.50 0.00 -1.26 -4.84 105.19 101.33 1p3r n GLY 142 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1p3r n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3r n GLN 143 N -2.00 1.06 -3.30 1.61 10.64 -0.97 -5.11 117.38 119.31 1p3r n GLN 143 Ca 0.00 -3.13 -0.38 0.00 -1.83 0.00 0.00 57.00 51.65 1p3r n GLN 143 Cb 0.01 -1.36 -0.06 0.00 -0.86 0.00 0.00 30.24 27.97 1p3r n GLN 143 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1p3r s HIS 144 N -2.39 3.74 -0.01 2.61 3.76 -1.25 -3.90 115.29 117.86 1p3r s HIS 144 Ca 0.32 1.18 0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1p3r s HIS 144 Cb 0.40 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1p3r s HIS 144 CO -0.03 0.51 -0.05 -0.65 -0.85 0.00 0.00 174.74 173.67 1p3r s GLN 145 N -0.75 0.52 -0.24 1.40 -0.21 -0.86 -1.33 119.66 118.19 1p3r s GLN 145 Ca 0.28 -0.19 -0.10 0.00 0.02 0.00 0.00 55.36 55.37 1p3r s GLN 145 Cb -0.18 -0.52 -0.05 0.00 1.00 0.00 0.00 33.01 33.26 1p3r s GLN 145 CO 0.17 0.09 0.15 0.12 -2.12 0.00 0.00 175.29 173.70 1p3r s PHE 146 N 0.05 3.30 -0.27 0.91 5.36 0.13 -1.67 117.98 125.81 1p3r s PHE 146 Ca -0.00 0.20 -0.08 0.00 -0.96 0.00 0.00 56.93 56.08 1p3r s PHE 146 Cb -0.04 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1p3r s PHE 146 CO -0.00 0.05 0.10 -0.06 -1.46 0.00 0.00 175.22 173.85 1p3r s PHE 147 N 1.06 3.12 -0.23 10.12 0.40 -0.22 -1.45 117.98 130.78 1p3r s PHE 147 Ca 0.07 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 1p3r s PHE 147 Cb -0.14 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.07 1p3r s PHE 147 CO 0.04 -0.35 0.13 0.00 0.70 0.00 0.00 175.22 175.75 1p3r s ALA 148 N 1.63 3.54 -0.06 5.36 0.00 -0.63 -2.09 121.76 129.51 1p3r s ALA 148 Ca 0.06 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1p3r s ALA 148 Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 1p3r s ALA 148 CO 0.05 -0.15 -0.24 0.42 0.00 0.00 0.00 175.76 175.85 1p3r s ILE 149 N 0.97 2.17 -0.33 0.00 -1.09 -0.00 -0.78 121.20 122.14 1p3r s ILE 149 Ca 0.07 -1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 57.40 1p3r s ILE 149 Cb -0.13 -1.79 0.04 0.00 -1.58 0.00 0.00 42.46 38.99 1p3r s ILE 149 CO 0.04 0.57 0.09 -0.75 -1.23 0.00 0.00 174.94 173.65 1p3r s LYS 150 N -0.17 2.63 0.34 2.79 2.36 -0.42 -1.79 119.74 125.48 1p3r s LYS 150 Ca -0.03 -1.17 -0.22 0.00 -2.55 0.00 0.00 55.97 52.00 1p3r s LYS 150 Cb -0.14 -3.41 -0.10 0.00 -1.05 0.00 0.00 37.83 33.13 1p3r s LYS 150 CO 0.04 -0.64 0.89 0.95 1.55 0.00 0.00 175.35 178.13 1p3r s THR 151 N 1.39 4.37 0.21 3.43 -4.23 -0.49 -0.62 115.64 119.70 1p3r s THR 151 Ca -0.02 1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 61.98 1p3r s THR 151 Cb -0.19 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 69.92 1p3r s THR 151 CO 0.02 -0.01 1.70 1.23 -0.54 0.00 0.00 174.62 177.02 1p3r h GLY 152 N 2.75 1.07 0.00 3.99 0.00 -1.72 -3.45 103.07 105.72 1p3r h GLY 152 Ca -0.48 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.12 1p3r h GLY 152 CO 0.64 0.68 0.00 -1.06 0.00 0.00 0.00 176.54 176.80 1p3r n GLN 153 N -4.20 3.88 -2.33 4.80 1.13 -1.26 -5.08 117.38 114.32 1p3r n GLN 153 Ca 0.03 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.71 1p3r n GLN 153 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.64 1p3r n GLN 153 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1p3r s GLN 154 N 2.73 4.04 0.14 -1.09 -1.52 -1.26 -4.66 119.66 118.03 1p3r s GLN 154 Ca 0.00 1.78 0.09 0.00 -1.95 0.00 0.00 55.36 55.28 1p3r s GLN 154 Cb 0.00 -2.63 -0.15 0.00 -0.22 0.00 0.00 33.01 30.01 1p3r s GLN 154 CO 0.00 -0.32 1.26 0.00 -0.25 0.00 0.00 175.29 175.99 1p3r h ALA 155 N 2.55 0.45 -0.48 6.09 0.00 -1.52 -3.38 119.26 122.98 1p3r h ALA 155 Ca -0.49 -0.85 0.10 0.00 0.00 0.00 0.00 54.91 53.67 1p3r h ALA 155 Cb 1.23 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1p3r h ALA 155 CO 0.62 1.14 -0.24 1.49 0.00 0.00 0.00 179.25 182.26 1p3r h GLU 156 N 0.00 -0.13 -0.32 0.00 4.57 -1.93 -1.08 114.58 115.69 1p3r h GLU 156 Ca -0.03 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1p3r h GLU 156 Cb 1.70 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.31 1p3r h GLU 156 CO 0.11 -0.09 0.23 -1.00 -1.18 0.00 0.00 179.01 177.08 1p3r h PRO 157 N -0.13 0.06 -0.10 0.92 0.13 -1.98 0.94 132.00 131.83 1p3r h PRO 157 Ca 0.22 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.12 1p3r h PRO 157 Cb 0.48 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.61 1p3r h PRO 157 CO -0.56 0.04 -0.85 1.25 -0.23 0.00 0.00 178.00 177.65 1p3r h LEU 158 N 0.06 0.84 -0.70 1.56 6.46 -1.47 -1.95 115.31 120.11 1p3r h LEU 158 Ca 0.15 -0.59 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 1p3r h LEU 158 Cb 0.53 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1p3r h LEU 158 CO -0.01 1.38 -0.12 0.58 -0.62 0.00 0.00 178.44 179.65 1p3r h VAL 159 N 0.45 1.26 -0.47 1.05 2.07 -0.33 -2.21 116.25 118.07 1p3r h VAL 159 Ca -0.07 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 1p3r h VAL 159 Cb 1.48 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1p3r h VAL 159 CO 0.17 0.42 -0.23 0.58 0.02 0.00 0.00 177.57 178.53 1p3r h VAL 160 N 0.78 1.27 -0.67 2.57 2.07 -0.85 -2.11 116.25 119.32 1p3r h VAL 160 Ca 0.12 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1p3r h VAL 160 Cb 0.64 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1p3r h VAL 160 CO 0.04 0.48 0.41 0.44 0.02 0.00 0.00 177.57 178.97 1p3r h ASP 161 N 0.84 0.67 -0.77 0.57 3.32 -1.10 0.50 116.42 120.46 1p3r h ASP 161 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1p3r h ASP 161 Cb 0.81 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1p3r h ASP 161 CO 0.07 0.46 0.39 -0.07 -1.72 0.00 0.00 179.24 178.38 1p3r h LEU 162 N 0.81 0.98 -0.34 1.55 3.38 -1.23 0.14 115.31 120.60 1p3r h LEU 162 Ca 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1p3r h LEU 162 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1p3r h LEU 162 CO -0.11 0.82 0.13 0.11 0.09 0.00 0.00 178.44 179.48 1p3r h LYS 163 N 1.07 0.52 -0.68 1.13 1.79 -0.67 -2.30 116.57 117.43 1p3r h LYS 163 Ca 0.27 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 1p3r h LYS 163 Cb 0.08 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1p3r h LYS 163 CO -0.04 0.52 0.15 -0.44 -1.08 0.00 0.00 179.45 178.56 1p3r h ASP 164 N 0.40 1.04 0.18 0.86 3.32 -0.57 -1.46 116.42 120.19 1p3r h ASP 164 Ca 0.11 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1p3r h ASP 164 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1p3r h ASP 164 CO -0.01 1.01 -0.25 0.25 -1.72 0.00 0.00 179.24 178.52 1p3r h LEU 165 N 1.04 -0.68 -1.16 1.55 5.85 -0.51 0.12 115.31 121.52 1p3r h LEU 165 Ca 0.21 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1p3r h LEU 165 Cb 0.39 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1p3r h LEU 165 CO 0.01 -0.35 0.58 -0.26 -0.34 0.00 0.00 178.44 178.08 1p3r h PHE 166 N -0.48 1.04 -0.47 1.25 0.05 -1.31 -1.55 116.94 115.47 1p3r h PHE 166 Ca 0.01 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.80 1p3r h PHE 166 Cb 0.48 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 38.06 1p3r h PHE 166 CO -0.20 0.58 0.20 0.37 -0.18 0.00 0.00 178.31 179.07 1p3r h GLN 167 N 1.05 0.70 -0.23 1.51 4.15 -0.41 -2.33 115.11 119.55 1p3r h GLN 167 Ca 0.36 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 1p3r h GLN 167 Cb 0.11 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1p3r h GLN 167 CO -0.12 0.63 -0.11 0.28 -1.93 0.00 0.00 178.83 177.57 1p3r h VAL 168 N 0.62 1.30 -0.86 2.39 2.07 -0.28 -0.46 116.25 121.03 1p3r h VAL 168 Ca 0.16 -1.19 0.15 0.00 0.82 0.00 0.00 66.70 66.64 1p3r h VAL 168 Cb 0.18 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1p3r h VAL 168 CO -0.01 0.37 0.56 0.40 0.02 0.00 0.00 177.57 178.90 1p3r h ILE 169 N 0.19 0.82 0.12 4.57 1.08 -1.25 0.20 117.51 123.25 1p3r h ILE 169 Ca 0.05 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1p3r h ILE 169 Cb 0.61 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1p3r h ILE 169 CO 0.03 0.11 -0.06 0.22 -0.69 0.00 0.00 178.15 177.77 1p3r h TYR 170 N 0.63 -0.15 -0.61 1.37 3.20 -1.16 -2.21 116.97 118.04 1p3r h TYR 170 Ca 0.43 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.42 1p3r h TYR 170 Cb 0.76 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1p3r h TYR 170 CO -0.00 0.34 0.41 -0.91 -1.64 0.00 0.00 178.16 176.36 1p3r h ASN 171 N -0.80 0.30 -0.04 -2.11 2.35 -0.52 0.15 115.58 114.91 1p3r h ASN 171 Ca -0.02 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1p3r h ASN 171 Cb 0.55 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1p3r h ASN 171 CO 0.03 0.17 -0.23 0.58 -1.65 0.00 0.00 177.43 176.33 1p3r h VAL 172 N 0.33 1.46 -0.69 2.81 2.07 -1.02 -2.52 116.25 118.70 1p3r h VAL 172 Ca 0.29 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 1p3r h VAL 172 Cb 0.69 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1p3r h VAL 172 CO -0.07 0.47 0.25 0.11 0.02 0.00 0.00 177.57 178.35 1p3r h LYS 173 N -0.33 1.06 -0.21 1.57 1.57 -0.68 -0.94 116.57 118.60 1p3r h LYS 173 Ca -0.02 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1p3r h LYS 173 Cb 0.89 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1p3r h LYS 173 CO 0.05 0.89 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.30 1p3r h LYS 174 N 1.00 0.42 -0.01 3.15 3.11 -0.81 0.04 116.57 123.47 1p3r h LYS 174 Ca 0.23 -0.17 -0.21 0.00 -2.81 0.00 0.00 60.65 57.68 1p3r h LYS 174 Cb 0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1p3r h LYS 174 CO -0.01 0.69 -0.89 0.87 -2.81 0.00 0.00 179.45 177.29 1p3r h LYS 175 N 0.37 0.36 0.00 1.90 1.57 -1.24 -2.09 116.57 117.45 1p3r h LYS 175 Ca 0.05 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1p3r h LYS 175 Cb 0.72 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1p3r h LYS 175 CO 0.06 1.05 -0.05 0.93 -0.57 0.00 0.00 179.45 180.87 1p3r h GLU 176 N 0.21 0.00 -0.35 3.15 5.08 -1.05 -3.27 114.58 118.35 1p3r h GLU 176 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1p3r h GLU 176 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1p3r h GLU 176 CO 0.15 0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.60 1p3r n GLU 177 N -3.12 2.94 0.00 2.33 1.02 -0.01 -5.08 120.64 118.71 1p3r n GLU 177 Ca 0.03 -2.31 0.13 0.00 -0.02 0.00 0.00 57.16 54.99 1p3r n GLU 177 Cb 0.47 -1.46 0.38 0.00 -0.02 0.00 0.00 31.44 30.82 1p3r n GLU 177 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91