#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 3.81 0.45 3.49 1.02 -1.26 -4.94 119.74 122.31 1p3r s LYS 34 Ca 0.00 -2.29 -0.19 0.00 0.02 0.00 0.00 55.97 53.52 1p3r s LYS 34 Cb 0.00 -4.84 -0.10 0.00 -0.52 0.00 0.00 37.83 32.38 1p3r s LYS 34 CO 0.00 -1.63 0.94 0.95 -0.92 0.00 0.00 175.35 174.69 1p3r s THR 35 N 1.48 4.47 0.51 2.17 -4.23 -1.26 -4.85 115.64 113.94 1p3r s THR 35 Ca 0.33 1.33 0.29 0.00 -1.18 0.00 0.00 61.69 62.46 1p3r s THR 35 Cb -0.06 -3.64 0.47 0.00 1.34 0.00 0.00 72.50 70.61 1p3r s THR 35 CO -0.06 -0.43 1.88 0.44 -0.54 0.00 0.00 174.62 175.90 1p3r h ASP 36 N 1.61 0.08 -0.27 3.99 3.32 -1.99 0.33 116.42 123.48 1p3r h ASP 36 Ca -0.48 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 1p3r h ASP 36 Cb 1.18 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1p3r h ASP 36 CO 0.62 0.03 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.50 1p3r h GLU 37 N 0.08 0.71 0.03 3.56 3.07 -1.99 -1.89 114.58 118.14 1p3r h GLU 37 Ca 0.45 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1p3r h GLU 37 Cb 1.64 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.58 1p3r h GLU 37 CO -0.05 1.02 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.64 1p3r h TYR 38 N 0.44 -0.04 -0.92 4.33 5.03 -0.77 -2.70 116.97 122.35 1p3r h TYR 38 Ca 0.03 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1p3r h TYR 38 Cb 0.92 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.17 1p3r h TYR 38 CO 0.08 0.18 0.58 -0.07 -1.32 0.00 0.00 178.16 177.61 1p3r h LEU 39 N -0.26 1.07 -0.93 2.82 3.38 -1.24 -1.47 115.31 118.69 1p3r h LEU 39 Ca -0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1p3r h LEU 39 Cb 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1p3r h LEU 39 CO 0.01 0.80 0.61 -0.07 0.09 0.00 0.00 178.44 179.88 1p3r h LEU 40 N 1.25 1.03 -0.63 1.67 3.38 -1.28 -0.95 115.31 119.77 1p3r h LEU 40 Ca 0.33 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 1p3r h LEU 40 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1p3r h LEU 40 CO -0.07 0.71 -0.59 0.00 0.09 0.00 0.00 178.44 178.59 1p3r h ALA 41 N 1.37 0.83 -0.15 1.53 0.00 -1.10 -1.79 119.26 119.95 1p3r h ALA 41 Ca 0.36 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1p3r h ALA 41 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1p3r h ALA 41 CO -0.11 0.71 -0.03 -0.09 0.00 0.00 0.00 179.25 179.74 1p3r h ARG 42 N 0.23 0.28 -0.15 0.00 2.43 -0.57 -3.28 114.38 113.32 1p3r h ARG 42 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1p3r h ARG 42 Cb 1.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1p3r h ARG 42 CO 0.09 0.55 0.00 1.19 -1.51 0.00 0.00 179.97 180.30 1p3r n PHE 43 N -4.71 0.17 -2.53 2.20 3.72 -0.43 -4.03 117.46 111.85 1p3r n PHE 43 Ca -0.06 -0.09 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 1p3r n PHE 43 Cb 0.25 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.83 4.15 7.82 -1.08 2.36 -0.68 -0.95 119.74 129.53 1p3r s LYS 44 Ca 0.34 1.52 0.00 0.00 -2.55 0.00 0.00 55.97 55.29 1p3r s LYS 44 Cb 0.20 -2.54 0.00 0.00 -1.05 0.00 0.00 37.83 34.44 1p3r s LYS 44 CO 0.30 -0.16 0.00 0.41 1.55 0.00 0.00 175.35 177.45 1p3r n GLY 45 N 0.34 3.21 0.00 5.54 0.00 -1.26 -2.13 105.19 110.89 1p3r n GLY 45 Ca 0.05 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 8.32 0.00 0.00 1.61 8.00 -1.26 -4.71 116.55 128.51 1p3r n ASP 46 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1p3r n ASP 46 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.87 3.76 0.44 0.00 -0.90 -4.70 105.19 106.69 1p3r n GLY 47 Ca 0.21 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1p3r n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3r s VAL 48 N 0.00 4.12 -0.02 1.61 -7.23 0.37 -4.91 120.40 114.34 1p3r s VAL 48 Ca 0.00 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1p3r s VAL 48 Cb 0.00 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1p3r s VAL 48 CO 0.00 -0.32 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.68 1p3r s LYS 49 N -3.65 0.59 -0.02 4.82 2.20 -1.26 -0.72 119.74 121.70 1p3r s LYS 49 Ca 0.32 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.82 1p3r s LYS 49 Cb -0.08 -0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 35.64 1p3r s LYS 49 CO 0.23 0.04 -0.13 0.71 -0.36 0.00 0.00 175.35 175.83 1p3r s TYR 50 N 0.32 1.24 0.12 4.03 2.02 -0.06 -4.95 117.35 120.06 1p3r s TYR 50 Ca -0.04 -0.25 -0.28 0.00 -0.37 0.00 0.00 57.07 56.13 1p3r s TYR 50 Cb -0.08 -0.81 -0.06 0.00 -0.40 0.00 0.00 41.96 40.61 1p3r s TYR 50 CO -0.00 -0.04 0.90 0.21 -1.57 0.00 0.00 175.55 175.04 1p3r s LYS 51 N -0.23 4.66 0.00 -0.62 2.20 -1.26 0.06 119.74 124.54 1p3r s LYS 51 Ca 0.04 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1p3r s LYS 51 Cb -0.06 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1p3r s LYS 51 CO -0.00 0.30 0.00 0.00 -0.36 0.00 0.00 175.35 175.29 1p3r n ALA 52 N 2.52 0.00 -2.80 3.13 0.00 -0.39 -1.84 120.51 121.13 1p3r n ALA 52 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1p3r n ALA 52 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.83 0.46 -0.48 0.00 1.02 0.19 -0.79 119.74 118.31 1p3r s LYS 53 Ca 0.00 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.37 1p3r s LYS 53 Cb 0.00 -0.36 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1p3r s LYS 53 CO 0.00 0.09 0.83 -1.17 -0.92 0.00 0.00 175.35 174.18 1p3r s LEU 54 N -0.64 4.23 0.15 3.17 2.96 -0.43 -1.32 118.68 126.80 1p3r s LEU 54 Ca -0.02 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1p3r s LEU 54 Cb -0.05 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.71 1p3r s LEU 54 CO 0.00 -1.01 1.55 0.40 -1.32 0.00 0.00 176.35 175.97 1p3r h ILE 55 N 6.00 1.27 0.00 6.68 2.04 -1.29 -3.35 117.51 128.85 1p3r h ILE 55 Ca -0.25 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1p3r h ILE 55 Cb 1.08 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1p3r h ILE 55 CO 1.00 0.46 0.00 0.61 0.00 0.00 0.00 178.15 180.22 1p3r n GLY 56 N -0.15 -0.25 3.09 5.37 0.00 -1.18 -4.75 105.19 107.32 1p3r n GLY 56 Ca 0.00 -1.22 -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 -0.05 -0.61 1.01 -1.26 -1.60 121.20 117.74 1p3r s ILE 57 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1p3r s ILE 57 Cb 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1p3r s ILE 57 CO 0.00 0.30 0.11 -0.62 0.00 0.00 0.00 174.94 174.73 1p3r s ASP 58 N -0.22 -0.07 0.12 3.58 2.15 -0.52 -4.97 116.67 116.73 1p3r s ASP 58 Ca 0.03 0.23 -0.30 0.00 0.43 0.00 0.00 52.55 52.94 1p3r s ASP 58 Cb -0.06 0.14 -0.07 0.00 -0.30 0.00 0.00 42.92 42.63 1p3r s ASP 58 CO -0.00 -0.12 1.20 -1.81 -0.17 0.00 0.00 175.17 174.28 1p3r s ASP 59 N 0.88 7.08 0.13 -0.34 1.01 -1.26 0.25 116.67 124.41 1p3r s ASP 59 Ca -0.07 2.12 0.08 0.00 0.71 0.00 0.00 52.55 55.40 1p3r s ASP 59 Cb -0.09 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1p3r s ASP 59 CO -0.04 -0.43 -0.20 0.68 0.21 0.00 0.00 175.17 175.39 1p3r s VAL 60 N 0.57 1.77 0.34 -1.27 -7.23 -0.42 -4.89 120.40 109.28 1p3r s VAL 60 Ca 0.56 -1.71 0.11 0.00 -1.81 0.00 0.00 61.98 59.14 1p3r s VAL 60 Cb -0.31 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.00 1p3r s VAL 60 CO 0.32 -0.16 1.77 1.55 -0.31 0.00 0.00 175.10 178.27 1p3r h PRO 61 N 3.72 0.04 -5.29 4.82 0.13 -1.96 -3.36 132.00 130.11 1p3r h PRO 61 Ca -0.45 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 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 0.44 0.46 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.57 1p3r s ASP 62 N -6.91 2.82 0.26 1.44 1.11 -1.26 -4.90 116.67 109.23 1p3r s ASP 62 Ca -0.03 -1.43 0.24 0.00 0.18 0.00 0.00 52.55 51.51 1p3r s ASP 62 Cb 0.14 -0.03 0.38 0.00 1.07 0.00 0.00 42.92 44.48 1p3r s ASP 62 CO 0.74 -0.63 1.46 0.00 1.18 0.00 0.00 175.17 177.92 1p3r h ALA 63 N 1.96 0.79 -2.64 5.23 0.00 -1.97 -3.46 119.26 119.16 1p3r h ALA 63 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 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 0.71 0.00 -0.38 1.03 0.00 0.00 0.00 179.25 180.61 1p3r s ARG 64 N -3.21 1.22 0.00 0.00 0.52 -1.26 -3.93 118.95 112.29 1p3r s ARG 64 Ca 0.06 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 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 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1p3r n GLY 65 N -0.25 3.63 0.06 -3.53 0.00 -1.26 -4.89 105.19 98.96 1p3r n GLY 65 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 0.05 -0.41 1.61 3.45 -2.00 -1.48 116.42 117.65 1p3r h ASP 66 Ca 0.00 -0.45 -0.06 0.00 0.43 0.00 0.00 57.03 56.94 1p3r h ASP 66 Cb 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1p3r h ASP 66 CO 0.00 0.49 0.00 0.50 -1.57 0.00 0.00 179.24 178.66 1p3r h LYS 67 N -0.39 0.72 -0.53 3.56 3.11 -1.99 -1.07 116.57 119.98 1p3r h LYS 67 Ca 0.00 -0.23 -0.01 0.00 -2.81 0.00 0.00 60.65 57.61 1p3r h LYS 67 Cb 0.47 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 1p3r h LYS 67 CO 0.00 0.80 0.30 1.98 -2.81 0.00 0.00 179.45 179.72 1p3r h MET 68 N 0.55 0.73 -0.62 1.90 4.05 -1.90 -1.26 114.93 118.38 1p3r h MET 68 Ca 0.12 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1p3r h MET 68 Cb 0.48 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1p3r h MET 68 CO 0.02 0.56 0.00 0.77 0.23 0.00 0.00 176.91 178.49 1p3r h SER 69 N 0.71 1.07 -0.30 1.39 0.02 -1.13 -2.69 113.55 112.61 1p3r h SER 69 Ca 0.19 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1p3r h SER 69 Cb 0.03 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1p3r h SER 69 CO -0.03 1.11 0.12 -0.61 -1.14 0.00 0.00 176.83 176.28 1p3r h GLN 70 N 0.99 0.45 -0.59 3.45 4.15 -0.94 -1.41 115.11 121.21 1p3r h GLN 70 Ca 0.18 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.58 1p3r h GLN 70 Cb 0.56 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.12 1p3r h GLN 70 CO 0.03 0.47 0.28 -0.44 -1.93 0.00 0.00 178.83 177.24 1p3r h ASP 71 N 0.33 0.37 -0.09 -0.69 3.45 -1.16 0.43 116.42 119.07 1p3r h ASP 71 Ca 0.10 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1p3r h ASP 71 Cb 0.19 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1p3r h ASP 71 CO -0.01 0.24 0.03 0.28 -1.57 0.00 0.00 179.24 178.21 1p3r h SER 72 N 0.52 0.13 -0.54 6.45 0.02 -1.34 -1.68 113.55 117.11 1p3r h SER 72 Ca 0.28 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1p3r h SER 72 Cb 0.24 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1p3r h SER 72 CO -0.22 0.28 0.31 -0.03 -1.14 0.00 0.00 176.83 176.04 1p3r h MET 73 N -0.03 0.60 -0.67 3.45 1.85 -0.87 0.46 114.93 119.72 1p3r h MET 73 Ca 0.03 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 1p3r h MET 73 Cb 0.20 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 1p3r h MET 73 CO -0.00 0.40 0.15 0.52 -0.40 0.00 0.00 176.91 177.57 1p3r h MET 74 N 0.62 1.08 -0.29 0.39 2.07 -0.85 -0.76 114.93 117.19 1p3r h MET 74 Ca 0.22 -0.27 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 1p3r h MET 74 Cb 0.06 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 1p3r h MET 74 CO -0.11 0.97 -0.05 -0.22 1.07 0.00 0.00 176.91 178.56 1p3r h LYS 75 N 1.00 0.54 -0.49 1.72 3.64 -0.91 -1.08 116.57 121.00 1p3r h LYS 75 Ca 0.21 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1p3r h LYS 75 Cb 0.39 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1p3r h LYS 75 CO 0.01 0.73 0.02 -0.07 -2.27 0.00 0.00 179.45 177.87 1p3r h LEU 76 N 0.31 0.76 -0.72 5.20 3.38 -0.80 -0.93 115.31 122.49 1p3r h LEU 76 Ca 0.07 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1p3r h LEU 76 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1p3r h LEU 76 CO 0.02 0.81 -0.35 0.11 0.09 0.00 0.00 178.44 179.12 1p3r h LYS 77 N 0.75 0.57 -0.45 1.13 1.57 -1.06 0.12 116.57 119.19 1p3r h LYS 77 Ca 0.15 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1p3r h LYS 77 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1p3r h LYS 77 CO 0.02 0.84 0.25 0.78 -0.57 0.00 0.00 179.45 180.77 1p3r h GLY 78 N 1.04 0.67 0.99 3.86 0.00 -0.56 -1.56 103.07 107.51 1p3r h GLY 78 Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1p3r h GLY 78 CO 0.07 0.29 0.04 -0.33 0.00 0.00 0.00 176.54 176.61 1p3r h MET 79 N 0.59 0.82 -0.34 4.80 2.86 -0.93 -1.91 114.93 120.83 1p3r h MET 79 Ca 0.16 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1p3r h MET 79 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1p3r h MET 79 CO -0.03 0.85 0.08 0.00 1.06 0.00 0.00 176.91 178.87 1p3r h ALA 80 N 0.94 1.52 -0.29 6.32 0.00 -0.80 -1.92 119.26 125.02 1p3r h ALA 80 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1p3r h ALA 80 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p3r h ALA 80 CO 0.02 0.36 -0.49 0.00 0.00 0.00 0.00 179.25 179.14 1p3r h ALA 81 N 1.61 0.58 -0.69 0.00 0.00 -0.98 -1.09 119.26 118.68 1p3r h ALA 81 Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1p3r h ALA 81 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1p3r h ALA 81 CO -0.00 0.68 0.33 0.00 0.00 0.00 0.00 179.25 180.25 1p3r h ALA 82 N 0.81 1.28 -0.29 0.00 0.00 -0.91 -2.22 119.26 117.92 1p3r h ALA 82 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1p3r h ALA 82 Cb 1.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1p3r h ALA 82 CO 0.11 0.56 -0.25 0.78 0.00 0.00 0.00 179.25 180.44 1p3r h GLY 83 N 1.05 0.75 1.93 0.00 0.00 -1.14 -3.14 103.07 102.52 1p3r h GLY 83 Ca 0.24 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1p3r h GLY 83 CO -0.03 0.68 -0.03 -0.09 0.00 0.00 0.00 176.54 177.07 1p3r h ARG 84 N 0.44 0.09 0.00 4.80 2.43 -0.82 -0.01 114.38 121.31 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 0.81 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1p3r h ARG 84 CO 0.07 0.14 0.00 -1.13 -1.51 0.00 0.00 179.97 177.53 1p3r n SER 85 N -4.44 0.14 -0.68 -3.80 3.41 -0.87 -2.05 113.62 105.33 1p3r n SER 85 Ca -0.02 0.53 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1p3r n SER 85 Cb 0.15 -0.56 0.21 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.65 2.13 -0.99 4.33 1.13 -0.14 -4.97 117.38 117.21 1p3r n GLN 86 Ca 0.04 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 1p3r n GLN 86 Cb 0.21 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.84 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 -0.95 0.67 3.72 1.08 0.00 -0.87 -5.02 105.19 103.82 1p3r n GLY 87 Ca 0.22 0.00 -0.37 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 -0.07 4.24 0.23 1.61 -1.52 -0.46 -4.97 119.66 118.73 1p3r s GLN 88 Ca 0.00 0.08 0.09 0.00 -1.95 0.00 0.00 55.36 53.59 1p3r s GLN 88 Cb 0.00 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 1p3r s GLN 88 CO 0.00 0.20 -0.05 -1.01 -0.25 0.00 0.00 175.29 174.18 1p3r s HIS 89 N 0.60 2.66 0.61 0.91 3.76 -1.26 -2.38 115.29 120.18 1p3r s HIS 89 Ca 0.16 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 1p3r s HIS 89 Cb -0.13 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 1p3r s HIS 89 CO 0.04 0.59 1.19 0.15 -0.85 0.00 0.00 174.74 175.85 1p3r s LYS 90 N -3.34 2.93 0.07 1.40 1.02 -1.26 -4.96 119.74 115.60 1p3r s LYS 90 Ca 0.29 1.74 -0.31 0.00 0.02 0.00 0.00 55.97 57.71 1p3r s LYS 90 Cb -0.07 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 1p3r s LYS 90 CO 0.18 -1.22 1.33 -1.14 -0.92 0.00 0.00 175.35 173.58 1p3r s GLN 91 N -3.46 4.35 0.06 1.68 0.74 -1.26 -4.83 119.66 116.94 1p3r s GLN 91 Ca 0.75 1.94 -0.30 0.00 0.05 0.00 0.00 55.36 57.80 1p3r s GLN 91 Cb -0.28 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 1p3r s GLN 91 CO 0.34 -0.41 1.10 1.03 -0.55 0.00 0.00 175.29 176.80 1p3r s ARG 92 N 1.42 4.51 0.31 1.67 0.52 -1.26 -1.31 118.95 124.81 1p3r s ARG 92 Ca 0.62 1.63 0.05 0.00 -0.52 0.00 0.00 55.73 57.52 1p3r s ARG 92 Cb -0.33 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1p3r s ARG 92 CO 0.29 -0.11 0.27 0.96 0.02 0.00 0.00 175.30 176.72 1p3r s ILE 93 N 0.78 0.00 -0.06 1.52 -4.36 0.03 -1.97 121.20 117.14 1p3r s ILE 93 Ca 0.54 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 59.03 1p3r s ILE 93 Cb -0.26 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 1p3r s ILE 93 CO 0.30 0.00 -0.24 0.26 0.24 0.00 0.00 174.94 175.49 1p3r s TRP 94 N -3.55 2.39 -0.33 1.37 0.52 0.27 -1.27 118.94 118.34 1p3r s TRP 94 Ca 0.40 -0.72 -0.08 0.00 0.02 0.00 0.00 56.10 55.71 1p3r s TRP 94 Cb 0.03 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1p3r s TRP 94 CO 0.24 -0.22 0.13 0.08 0.02 0.00 0.00 176.95 177.20 1p3r s VAL 95 N -0.13 4.21 -0.23 4.03 1.01 0.11 -1.64 120.40 127.76 1p3r s VAL 95 Ca -0.04 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1p3r s VAL 95 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1p3r s VAL 95 CO 0.04 -0.06 0.11 0.21 0.00 0.00 0.00 175.10 175.40 1p3r s ASN 96 N 1.51 5.78 -0.14 3.32 3.84 -0.39 -0.88 114.94 127.97 1p3r s ASN 96 Ca 0.02 0.04 0.01 0.00 0.21 0.00 0.00 52.86 53.14 1p3r s ASN 96 Cb -0.18 -2.03 -0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1p3r s ASN 96 CO 0.04 0.08 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.63 1p3r s ILE 97 N 0.98 2.53 0.10 -5.21 1.01 0.11 -1.30 121.20 119.40 1p3r s ILE 97 Ca 0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1p3r s ILE 97 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1p3r s ILE 97 CO 0.03 0.53 0.19 -1.54 0.00 0.00 0.00 174.94 174.15 1p3r n SER 98 N 3.93 -0.54 0.31 3.58 3.41 -0.72 -0.48 113.62 123.11 1p3r n SER 98 Ca -0.19 -1.40 0.20 0.00 -0.26 0.00 0.00 58.87 57.22 1p3r n SER 98 Cb 0.52 0.91 0.99 0.00 -0.26 0.00 0.00 64.21 66.37 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 -0.20 1.04 3.38 -1.33 0.20 115.31 118.40 1p3r h LEU 99 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p3r h LEU 99 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1p3r h LEU 99 CO 0.10 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.44 1p3r n SER 100 N -3.10 0.62 0.00 -0.43 7.64 -1.26 -4.75 113.62 112.34 1p3r n SER 100 Ca -0.01 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1p3r n SER 100 Cb 0.17 -0.74 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 0.87 0.58 3.50 0.23 0.00 0.06 -3.93 105.19 106.49 1p3r n GLY 101 Ca 0.05 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 3.45 -0.09 -0.61 1.01 -0.29 -1.76 121.20 122.91 1p3r s ILE 102 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1p3r s ILE 102 Cb 0.00 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1p3r s ILE 102 CO 0.00 0.56 -0.23 -0.54 0.00 0.00 0.00 174.94 174.73 1p3r s LYS 103 N -0.33 2.79 -0.30 2.79 1.02 -0.42 -0.07 119.74 125.22 1p3r s LYS 103 Ca 0.04 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 55.11 1p3r s LYS 103 Cb -0.13 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1p3r s LYS 103 CO 0.02 0.21 0.14 0.42 -0.92 0.00 0.00 175.35 175.22 1p3r s ILE 104 N 0.27 4.57 -0.06 2.17 -1.09 0.13 -1.26 121.20 125.93 1p3r s ILE 104 Ca -0.15 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1p3r s ILE 104 Cb -0.17 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1p3r s ILE 104 CO 0.07 0.12 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.07 1p3r s ILE 105 N 1.62 2.43 0.08 2.92 1.01 -0.65 -0.45 121.20 128.16 1p3r s ILE 105 Ca 0.05 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 1p3r s ILE 105 Cb -0.17 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1p3r s ILE 105 CO 0.06 0.57 1.40 -0.62 0.00 0.00 0.00 174.94 176.35 1p3r s ASP 106 N -0.35 6.83 0.29 3.58 2.15 -0.52 -0.57 116.67 128.09 1p3r s ASP 106 Ca 0.02 2.26 0.04 0.00 0.43 0.00 0.00 52.55 55.31 1p3r s ASP 106 Cb -0.12 -2.58 0.43 0.00 -0.30 0.00 0.00 42.92 40.35 1p3r s ASP 106 CO 0.02 -0.67 1.71 -0.08 -0.17 0.00 0.00 175.17 175.98 1p3r h GLU 107 N 7.16 0.39 -0.01 4.34 4.81 -1.69 -0.62 114.58 128.96 1p3r h GLU 107 Ca -0.41 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1p3r h GLU 107 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1p3r h GLU 107 CO 0.88 0.66 -0.13 -0.22 -0.73 0.00 0.00 179.01 179.47 1p3r h LYS 108 N 0.34 0.11 0.00 1.92 3.11 -1.91 -3.39 116.57 116.75 1p3r h LYS 108 Ca 0.04 -0.10 -0.25 0.00 -2.81 0.00 0.00 60.65 57.53 1p3r h LYS 108 Cb 0.73 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.93 1p3r h LYS 108 CO 0.06 0.80 -1.96 0.25 -2.81 0.00 0.00 179.45 175.79 1p3r n THR 109 N -4.62 1.17 -0.57 1.00 -2.24 -1.24 -4.98 114.28 102.80 1p3r n THR 109 Ca -0.09 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1p3r n THR 109 Cb 0.42 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.55 0.75 3.74 3.38 0.00 -0.24 -5.03 105.19 109.34 1p3r n GLY 110 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.60 3.39 -0.52 1.61 1.01 -1.26 -4.76 120.40 117.27 1p3r s VAL 111 Ca 0.00 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 1p3r s VAL 111 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1p3r s VAL 111 CO 0.00 0.19 1.11 -0.63 0.00 0.00 0.00 175.10 175.77 1p3r s ILE 112 N -0.09 4.19 0.03 2.22 1.01 -1.26 -1.43 121.20 125.86 1p3r s ILE 112 Ca 0.54 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.97 1p3r s ILE 112 Cb -0.34 -4.62 -0.23 0.00 0.01 0.00 0.00 42.46 37.28 1p3r s ILE 112 CO 0.38 -1.11 1.13 -0.33 0.00 0.00 0.00 174.94 175.01 1p3r h GLU 113 N 9.33 0.51 -3.41 2.79 4.39 -1.12 -3.47 114.58 123.59 1p3r h GLU 113 Ca -0.24 -0.54 -0.14 0.00 0.34 0.00 0.00 59.36 58.78 1p3r h GLU 113 Cb 1.06 0.15 -0.21 0.00 -0.10 0.00 0.00 28.75 29.65 1p3r h GLU 113 CO 1.13 1.17 -0.46 -1.01 -1.16 0.00 0.00 179.01 178.69 1p3r s HIS 114 N -3.26 -0.01 -0.07 4.33 3.76 -1.06 -4.98 115.29 114.00 1p3r s HIS 114 Ca -0.12 -0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 1p3r s HIS 114 Cb 0.05 -0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.75 1p3r s HIS 114 CO 0.85 -0.29 0.04 -2.00 -0.85 0.00 0.00 174.74 172.49 1p3r s GLU 115 N -1.26 0.23 -0.28 1.40 2.12 -1.26 -0.69 118.70 118.96 1p3r s GLU 115 Ca -0.13 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.42 1p3r s GLU 115 Cb -0.07 -0.86 0.06 0.00 0.26 0.00 0.00 34.13 33.52 1p3r s GLU 115 CO 0.02 -0.36 -0.07 -1.01 -0.54 0.00 0.00 175.26 173.30 1p3r s HIS 116 N 2.08 3.27 0.52 5.30 3.76 0.89 -5.00 115.29 126.12 1p3r s HIS 116 Ca 0.05 -2.17 -0.23 0.00 -0.15 0.00 0.00 55.06 52.56 1p3r s HIS 116 Cb -0.13 -2.00 -0.06 0.00 1.11 0.00 0.00 32.58 31.51 1p3r s HIS 116 CO -0.05 -0.85 1.37 -2.14 -0.85 0.00 0.00 174.74 172.22 1p3r s PRO 117 N 1.15 3.28 0.33 8.40 0.02 -1.26 -1.14 135.00 145.79 1p3r s PRO 117 Ca -0.07 2.26 0.07 0.00 0.02 0.00 0.00 61.00 63.28 1p3r s PRO 117 Cb -0.20 -2.35 0.77 0.00 0.02 0.00 0.00 34.50 32.74 1p3r s PRO 117 CO -0.04 -1.09 1.83 0.28 -0.33 0.00 0.00 177.00 177.65 1p3r h VAL 118 N 1.64 0.78 0.00 3.83 2.07 -1.86 0.47 116.25 123.19 1p3r h VAL 118 Ca -0.51 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1p3r h VAL 118 Cb 1.29 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1p3r h VAL 118 CO 0.58 0.14 0.00 -0.46 0.02 0.00 0.00 177.57 177.85 1p3r n ASN 119 N -4.64 0.00 -0.24 0.57 0.23 -1.26 -2.53 115.26 107.39 1p3r n ASN 119 Ca 0.20 -0.79 0.05 0.00 -0.53 0.00 0.00 54.58 53.52 1p3r n ASN 119 Cb 0.52 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.21 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 -0.96 2.08 -3.29 -3.83 4.76 0.15 -4.91 118.16 112.15 1p3r n LYS 120 Ca 0.16 -0.61 -0.42 0.00 -2.87 0.00 0.00 58.31 54.57 1p3r n LYS 120 Cb 0.07 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.47 5.06 -0.42 -0.18 1.01 -1.05 -0.60 121.20 123.55 1p3r s ILE 121 Ca 0.09 -0.05 0.22 0.00 0.00 0.00 0.00 60.65 60.91 1p3r s ILE 121 Cb 0.09 -4.00 -0.21 0.00 0.01 0.00 0.00 42.46 38.35 1p3r s ILE 121 CO 0.28 -0.33 0.80 -1.54 0.00 0.00 0.00 174.94 174.15 1p3r n SER 122 N 5.67 0.47 -3.65 3.58 3.41 -0.46 -4.98 113.62 117.65 1p3r n SER 122 Ca -0.06 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 1p3r n SER 122 Cb 0.48 1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 65.61 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 -3.30 -0.84 -0.24 7.33 5.36 -1.19 -4.78 117.98 120.31 1p3r s PHE 123 Ca -0.01 1.84 -0.06 0.00 -0.96 0.00 0.00 56.93 57.75 1p3r s PHE 123 Cb 0.14 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 43.20 1p3r s PHE 123 CO 0.85 -0.42 0.03 0.42 -1.46 0.00 0.00 175.22 174.65 1p3r s ILE 124 N 0.97 3.92 -0.26 3.12 -1.09 -1.26 -0.63 121.20 125.97 1p3r s ILE 124 Ca -0.05 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 57.97 1p3r s ILE 124 Cb -0.05 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1p3r s ILE 124 CO -0.09 0.34 0.01 0.00 -1.23 0.00 0.00 174.94 173.98 1p3r s ALA 125 N 1.55 2.93 0.34 9.38 0.00 0.17 -4.98 121.76 131.16 1p3r s ALA 125 Ca 0.06 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1p3r s ALA 125 Cb -0.15 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 20.96 1p3r s ALA 125 CO 0.01 -0.68 0.98 0.50 0.00 0.00 0.00 175.76 176.58 1p3r s ARG 126 N 1.48 4.46 -0.47 0.00 6.06 -1.26 -0.69 118.95 128.53 1p3r s ARG 126 Ca 0.04 1.41 -0.11 0.00 -2.50 0.00 0.00 55.73 54.57 1p3r s ARG 126 Cb -0.16 -2.74 0.11 0.00 0.06 0.00 0.00 34.95 32.22 1p3r s ARG 126 CO -0.01 0.15 0.36 0.34 -2.50 0.00 0.00 175.30 173.64 1p3r s ASP 127 N -1.56 5.80 0.55 -2.12 3.68 -1.25 -4.89 116.67 116.87 1p3r s ASP 127 Ca 0.52 -1.78 0.37 0.00 2.13 0.00 0.00 52.55 53.79 1p3r s ASP 127 Cb -0.20 -2.05 1.95 0.00 -1.45 0.00 0.00 42.92 41.17 1p3r s ASP 127 CO 0.26 -0.69 2.12 -0.37 0.13 0.00 0.00 175.17 176.62 1p3r h VAL 128 N 6.06 0.00 -0.01 1.11 -1.51 -1.95 -2.21 116.25 117.75 1p3r h VAL 128 Ca -0.23 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1p3r h VAL 128 Cb 1.08 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1p3r h VAL 128 CO 0.87 0.00 -0.33 0.35 -1.23 0.00 0.00 177.57 177.23 1p3r n THR 129 N -2.81 0.00 -3.68 7.19 -2.24 -1.26 -4.88 114.28 106.60 1p3r n THR 129 Ca -0.02 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1p3r n THR 129 Cb 0.08 0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.56 0.28 0.00 3.42 -1.08 -0.83 -5.00 116.67 110.89 1p3r s ASP 130 Ca 0.22 0.52 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 1p3r s ASP 130 Cb 0.19 0.53 1.25 0.00 -1.46 0.00 0.00 42.92 43.43 1p3r s ASP 130 CO 0.55 -0.22 1.84 0.59 0.52 0.00 0.00 175.17 178.46 1p3r n ASN 131 N 5.06 0.00 -1.66 -0.34 5.03 -1.26 -3.37 115.26 118.72 1p3r n ASN 131 Ca -0.11 -0.02 -0.09 0.00 0.87 0.00 0.00 54.58 55.23 1p3r n ASN 131 Cb 0.50 -0.31 0.08 0.00 -1.02 0.00 0.00 39.78 39.04 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 -1.31 2.42 -3.65 3.52 1.74 -1.26 -1.42 116.66 116.71 1p3r n ARG 132 Ca 0.11 -3.63 -0.14 0.00 -0.77 0.00 0.00 57.85 53.43 1p3r n ARG 132 Cb 0.21 -1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.20 -1.10 0.11 7.54 0.00 -1.22 -1.26 121.76 122.63 1p3r s ALA 133 Ca 0.42 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 1p3r s ALA 133 Cb 0.38 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1p3r s ALA 133 CO -0.02 -0.43 1.06 -0.59 0.00 0.00 0.00 175.76 175.78 1p3r s PHE 134 N -2.18 -0.08 0.31 0.00 -0.12 -0.74 -3.80 117.98 111.37 1p3r s PHE 134 Ca -0.07 -0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 56.52 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 -0.00 -0.69 0.57 0.20 -0.05 0.00 0.00 175.22 175.24 1p3r s GLY 135 N -3.02 0.75 0.01 1.99 0.00 0.14 -0.83 107.32 106.36 1p3r s GLY 135 Ca 0.14 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 43.66 1p3r s GLY 135 CO 0.01 -0.63 0.43 -2.52 0.00 0.00 0.00 173.10 170.39 1p3r s TYR 136 N -3.33 -0.30 -0.11 1.90 -0.85 -0.88 0.46 117.35 114.24 1p3r s TYR 136 Ca 0.22 0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 57.11 1p3r s TYR 136 Cb -0.02 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 1p3r s TYR 136 CO 0.13 -0.53 0.08 0.08 -1.52 0.00 0.00 175.55 173.79 1p3r s VAL 137 N -1.96 4.96 0.13 -3.49 1.01 0.20 -1.03 120.40 120.22 1p3r s VAL 137 Ca -0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1p3r s VAL 137 Cb -0.02 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1p3r s VAL 137 CO 0.01 0.61 0.26 0.00 0.00 0.00 0.00 175.10 175.98 1p3r n GLY 139 N -0.16 2.27 2.41 0.00 0.00 0.23 -1.94 105.19 108.00 1p3r n GLY 139 Ca -0.11 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.65 -0.97 3.77 -0.02 0.00 -1.25 -4.82 105.19 101.24 1p3r n GLY 140 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.67 3.78 0.00 1.61 2.12 -1.26 -2.33 118.70 117.94 1p3r s GLU 141 Ca 0.46 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.70 1p3r s GLU 141 Cb -0.01 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1p3r s GLU 141 CO 0.32 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 1p3r n GLY 142 N 0.56 0.82 2.43 -1.50 0.00 -1.26 -4.83 105.19 101.40 1p3r n GLY 142 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1p3r n GLY 142 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1p3r n GLN 143 N -2.00 1.05 -3.26 1.61 7.27 -0.99 -5.11 117.38 115.96 1p3r n GLN 143 Ca 0.00 -3.24 -0.39 0.00 0.07 0.00 0.00 57.00 53.44 1p3r n GLN 143 Cb 0.00 -1.43 -0.06 0.00 2.41 0.00 0.00 30.24 31.16 1p3r n GLN 143 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1p3r s HIS 144 N -2.60 3.73 -0.01 3.69 3.76 -1.25 -3.88 115.29 118.73 1p3r s HIS 144 Ca 0.33 1.21 0.02 0.00 -0.15 0.00 0.00 55.06 56.47 1p3r s HIS 144 Cb 0.40 -2.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1p3r s HIS 144 CO -0.03 0.47 -0.06 -0.65 -0.85 0.00 0.00 174.74 173.62 1p3r s GLN 145 N -0.62 0.61 -0.24 1.40 -0.21 -0.82 -1.30 119.66 118.49 1p3r s GLN 145 Ca 0.29 -0.22 -0.10 0.00 0.02 0.00 0.00 55.36 55.35 1p3r s GLN 145 Cb -0.19 -0.60 -0.05 0.00 1.00 0.00 0.00 33.01 33.18 1p3r s GLN 145 CO 0.17 0.11 0.15 0.12 -2.12 0.00 0.00 175.29 173.73 1p3r s PHE 146 N 0.04 3.32 -0.25 0.91 5.36 0.14 -1.65 117.98 125.84 1p3r s PHE 146 Ca -0.00 0.22 -0.08 0.00 -0.96 0.00 0.00 56.93 56.12 1p3r s PHE 146 Cb -0.05 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1p3r s PHE 146 CO -0.00 0.08 0.08 -0.06 -1.46 0.00 0.00 175.22 173.86 1p3r s PHE 147 N 1.00 3.10 -0.22 10.12 0.40 -0.20 -1.43 117.98 130.74 1p3r s PHE 147 Ca 0.07 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1p3r s PHE 147 Cb -0.13 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1p3r s PHE 147 CO 0.04 -0.35 0.11 0.00 0.70 0.00 0.00 175.22 175.72 1p3r s ALA 148 N 1.63 3.48 -0.05 5.36 0.00 -0.63 -2.06 121.76 129.49 1p3r s ALA 148 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1p3r s ALA 148 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1p3r s ALA 148 CO 0.04 -0.09 -0.24 0.42 0.00 0.00 0.00 175.76 175.89 1p3r s ILE 149 N 0.87 2.13 -0.34 0.00 -1.09 -0.01 -0.77 121.20 121.99 1p3r s ILE 149 Ca 0.06 -1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 57.38 1p3r s ILE 149 Cb -0.13 -1.77 0.05 0.00 -1.58 0.00 0.00 42.46 39.03 1p3r s ILE 149 CO 0.03 0.57 0.09 -0.75 -1.23 0.00 0.00 174.94 173.65 1p3r s LYS 150 N -0.23 2.54 0.36 2.79 2.47 -0.43 -1.79 119.74 125.45 1p3r s LYS 150 Ca -0.02 -1.25 -0.24 0.00 -1.56 0.00 0.00 55.97 52.91 1p3r s LYS 150 Cb -0.13 -3.42 -0.10 0.00 -1.46 0.00 0.00 37.83 32.72 1p3r s LYS 150 CO 0.03 -0.69 0.95 0.95 0.16 0.00 0.00 175.35 176.75 1p3r s THR 151 N 1.36 4.24 0.21 3.43 -4.23 -0.39 -0.63 115.64 119.62 1p3r s THR 151 Ca -0.02 1.70 -0.06 0.00 -1.18 0.00 0.00 61.69 62.13 1p3r s THR 151 Cb -0.20 -3.87 0.10 0.00 1.34 0.00 0.00 72.50 69.87 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 -1.68 -3.45 103.07 105.75 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 0.00 176.54 176.79 1p3r n GLN 153 N -4.20 3.91 -2.24 4.80 1.13 -1.26 -5.08 117.38 114.43 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 -0.01 0.00 0.11 0.00 0.00 30.24 30.65 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 2.72 3.98 0.11 -1.09 -1.52 -1.26 -4.66 119.66 117.93 1p3r s GLN 154 Ca 0.00 1.88 0.08 0.00 -1.95 0.00 0.00 55.36 55.37 1p3r s GLN 154 Cb 0.00 -2.64 -0.21 0.00 -0.22 0.00 0.00 33.01 29.94 1p3r s GLN 154 CO 0.00 -0.39 1.22 0.00 -0.25 0.00 0.00 175.29 175.87 1p3r h ALA 155 N 2.53 0.40 -0.60 6.09 0.00 -1.55 -3.38 119.26 122.75 1p3r h ALA 155 Ca -0.49 -0.96 0.12 0.00 0.00 0.00 0.00 54.91 53.58 1p3r h ALA 155 Cb 1.24 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1p3r h ALA 155 CO 0.62 1.28 -0.24 1.49 0.00 0.00 0.00 179.25 182.40 1p3r h GLU 156 N 0.00 -0.08 -0.14 0.00 4.57 -1.93 -0.91 114.58 116.09 1p3r h GLU 156 Ca -0.04 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1p3r h GLU 156 Cb 1.79 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.39 1p3r h GLU 156 CO 0.12 -0.05 0.10 -1.00 -1.18 0.00 0.00 179.01 177.00 1p3r h PRO 157 N -0.09 0.00 -0.11 0.92 0.13 -1.98 0.81 132.00 131.69 1p3r h PRO 157 Ca 0.27 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.17 1p3r h PRO 157 Cb 0.51 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1p3r h PRO 157 CO -0.66 0.00 -0.82 -0.07 -0.23 0.00 0.00 178.00 176.22 1p3r h LEU 158 N 0.00 0.86 -0.72 1.56 4.07 -1.43 -2.02 115.31 117.63 1p3r h LEU 158 Ca 0.07 -0.59 -0.10 0.00 0.08 0.00 0.00 57.88 57.34 1p3r h LEU 158 Cb 0.26 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1p3r h LEU 158 CO -0.00 1.38 -0.08 0.58 -1.08 0.00 0.00 178.44 179.24 1p3r h VAL 159 N 0.47 1.26 -0.50 1.22 2.07 -0.43 -2.19 116.25 118.15 1p3r h VAL 159 Ca -0.06 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 1p3r h VAL 159 Cb 1.45 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1p3r h VAL 159 CO 0.16 0.41 -0.16 0.58 0.02 0.00 0.00 177.57 178.59 1p3r h VAL 160 N 0.81 1.27 -0.55 2.57 2.07 -0.88 -2.06 116.25 119.47 1p3r h VAL 160 Ca 0.14 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1p3r h VAL 160 Cb 0.60 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1p3r h VAL 160 CO 0.04 0.46 0.33 0.44 0.02 0.00 0.00 177.57 178.85 1p3r h ASP 161 N 0.86 0.52 -0.89 0.57 3.32 -1.13 0.36 116.42 120.02 1p3r h ASP 161 Ca 0.12 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1p3r h ASP 161 Cb 0.73 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1p3r h ASP 161 CO 0.06 0.36 0.50 -0.07 -1.72 0.00 0.00 179.24 178.37 1p3r h LEU 162 N 0.64 1.11 -0.35 1.55 3.38 -1.21 0.15 115.31 120.58 1p3r h LEU 162 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1p3r h LEU 162 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1p3r h LEU 162 CO -0.11 0.88 0.09 0.11 0.09 0.00 0.00 178.44 179.50 1p3r h LYS 163 N 1.25 0.56 -0.51 1.13 1.79 -0.65 -2.36 116.57 117.78 1p3r h LYS 163 Ca 0.32 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.57 1p3r h LYS 163 Cb 0.01 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1p3r h LYS 163 CO -0.05 0.61 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.48 1p3r h ASP 164 N 0.41 0.84 0.32 0.86 3.32 -0.55 -1.51 116.42 120.11 1p3r h ASP 164 Ca 0.11 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1p3r h ASP 164 Cb 0.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1p3r h ASP 164 CO 0.00 0.91 -0.25 0.25 -1.72 0.00 0.00 179.24 178.43 1p3r h LEU 165 N 0.80 -0.64 -0.99 1.55 5.85 -0.53 0.81 115.31 122.16 1p3r h LEU 165 Ca 0.15 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1p3r h LEU 165 Cb 0.49 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1p3r h LEU 165 CO 0.02 -0.38 0.64 -0.26 -0.34 0.00 0.00 178.44 178.13 1p3r h PHE 166 N -0.57 1.18 -0.56 1.25 0.05 -1.33 -1.54 116.94 115.42 1p3r h PHE 166 Ca -0.02 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 1p3r h PHE 166 Cb 0.50 -0.39 -0.03 0.00 2.00 0.00 0.00 35.95 38.04 1p3r h PHE 166 CO -0.13 0.60 0.27 0.37 -0.18 0.00 0.00 178.31 179.23 1p3r h GLN 167 N 1.14 0.81 -0.24 1.51 5.75 -0.63 -2.27 115.11 121.19 1p3r h GLN 167 Ca 0.44 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.72 1p3r h GLN 167 Cb 0.20 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 1p3r h GLN 167 CO -0.18 0.67 -0.22 -0.24 -2.65 0.00 0.00 178.83 176.21 1p3r h VAL 168 N 0.76 1.32 -0.81 2.39 3.04 -0.33 -0.48 116.25 122.13 1p3r h VAL 168 Ca 0.19 -1.37 0.12 0.00 -1.01 0.00 0.00 66.70 64.63 1p3r h VAL 168 Cb 0.12 1.67 -0.06 0.00 -2.01 0.00 0.00 31.29 31.01 1p3r h VAL 168 CO -0.02 0.43 0.53 0.40 -1.01 0.00 0.00 177.57 177.89 1p3r h ILE 169 N 0.27 0.88 0.12 3.17 1.08 -1.23 0.05 117.51 121.86 1p3r h ILE 169 Ca 0.04 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1p3r h ILE 169 Cb 0.76 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1p3r h ILE 169 CO 0.05 0.12 -0.06 0.22 -0.69 0.00 0.00 178.15 177.79 1p3r h TYR 170 N 0.65 -0.15 -0.66 1.37 3.20 -1.15 -2.17 116.97 118.06 1p3r h TYR 170 Ca 0.39 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.39 1p3r h TYR 170 Cb 0.61 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1p3r h TYR 170 CO -0.00 0.33 0.44 -0.91 -1.64 0.00 0.00 178.16 176.38 1p3r h ASN 171 N -0.80 0.31 -0.04 -2.11 4.21 -0.56 0.15 115.58 116.75 1p3r h ASN 171 Ca -0.02 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1p3r h ASN 171 Cb 0.55 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1p3r h ASN 171 CO 0.03 0.17 -0.27 0.58 -1.29 0.00 0.00 177.43 176.65 1p3r h VAL 172 N 0.34 1.46 -0.73 2.81 2.07 -1.04 -2.39 116.25 118.77 1p3r h VAL 172 Ca 0.31 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1p3r h VAL 172 Cb 0.76 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1p3r h VAL 172 CO -0.08 0.49 0.22 0.11 0.02 0.00 0.00 177.57 178.33 1p3r h LYS 173 N -0.30 1.14 -0.11 1.57 1.79 -0.66 -0.83 116.57 119.17 1p3r h LYS 173 Ca -0.02 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.07 1p3r h LYS 173 Cb 0.95 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1p3r h LYS 173 CO 0.06 0.98 -0.49 -0.22 -1.08 0.00 0.00 179.45 178.70 1p3r h LYS 174 N 1.09 0.29 -0.00 3.15 3.11 -0.80 0.31 116.57 123.72 1p3r h LYS 174 Ca 0.23 -0.16 -0.19 0.00 -2.81 0.00 0.00 60.65 57.72 1p3r h LYS 174 Cb 0.32 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 1p3r h LYS 174 CO -0.01 0.72 -0.84 0.87 -2.81 0.00 0.00 179.45 177.38 1p3r h LYS 175 N 0.24 0.14 0.00 1.90 1.57 -1.24 -2.17 116.57 117.00 1p3r h LYS 175 Ca 0.01 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1p3r h LYS 175 Cb 0.95 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1p3r h LYS 175 CO 0.08 0.90 -0.10 1.49 -0.57 0.00 0.00 179.45 181.25 1p3r h GLU 176 N 0.08 0.00 0.04 3.15 4.81 -0.93 -3.21 114.58 118.52 1p3r h GLU 176 Ca -0.03 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 1p3r h GLU 176 Cb 1.46 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 1p3r h GLU 176 CO 0.12 0.03 -1.41 1.49 -0.73 0.00 0.00 179.01 178.52 1p3r h GLU 177 N 0.00 0.10 0.00 1.92 4.81 -0.81 -3.18 114.58 117.42 1p3r h GLU 177 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1p3r h GLU 177 Cb 1.03 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1p3r h GLU 177 CO 0.00 0.90 0.00 -0.25 -0.73 0.00 0.00 179.01 178.93 1p3r n ASP 178 N -3.30 0.00 -2.30 1.04 9.92 -0.83 -3.72 116.55 117.36 1p3r n ASP 178 Ca -0.11 -1.38 -0.33 0.00 -0.53 0.00 0.00 54.79 52.43 1p3r n ASP 178 Cb 1.01 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.56 1p3r n ASP 178 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1p3r n LYS 179 N -0.72 2.88 0.00 -1.24 3.00 -1.20 -5.06 118.16 115.81 1p3r n LYS 179 Ca 0.10 -3.48 0.09 0.00 -0.00 0.00 0.00 58.31 55.02 1p3r n LYS 179 Cb 0.04 -2.29 0.55 0.00 0.00 0.00 0.00 35.03 33.34 1p3r n LYS 179 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76