#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7o h LEU 2 N 0.00 0.59 -1.01 -4.53 3.38 -1.31 0.42 115.31 112.85 1p7o h LEU 2 Ca 0.00 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1p7o h LEU 2 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1p7o h LEU 2 CO 0.00 0.28 -0.21 -0.07 0.09 0.00 0.00 178.44 178.53 1p7o h LEU 3 N 0.62 0.46 -0.41 1.67 3.38 -1.97 -1.68 115.31 117.37 1p7o h LEU 3 Ca 0.46 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 58.11 1p7o h LEU 3 Cb 0.84 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1p7o h LEU 3 CO -0.21 0.68 -0.51 1.56 0.09 0.00 0.00 178.44 180.05 1p7o h GLN 4 N 0.42 0.76 -0.87 1.13 4.20 -1.37 -2.94 115.11 116.44 1p7o h GLN 4 Ca 0.07 -0.46 0.02 0.00 0.06 0.00 0.00 58.65 58.33 1p7o h GLN 4 Cb 0.60 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 1p7o h GLN 4 CO 0.04 1.09 0.57 0.35 -0.67 0.00 0.00 178.83 180.21 1p7o h PHE 5 N 0.59 1.08 -0.76 2.96 3.57 -0.66 0.38 116.94 124.10 1p7o h PHE 5 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1p7o h PHE 5 Cb 1.09 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1p7o h PHE 5 CO 0.06 0.67 0.47 -0.09 -2.23 0.00 0.00 178.31 177.18 1p7o h ARG 6 N 1.16 1.03 0.00 1.11 2.43 -1.26 -2.04 114.38 116.81 1p7o h ARG 6 Ca 0.33 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1p7o h ARG 6 Cb -0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 1p7o h ARG 6 CO -0.08 0.72 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.74 1p7o h ASN 7 N 1.04 0.00 -0.18 -3.80 2.35 -1.12 -1.84 115.58 112.04 1p7o h ASN 7 Ca 0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 1p7o h ASN 7 Cb -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1p7o h ASN 7 CO -0.05 0.45 -0.18 0.24 -1.65 0.00 0.00 177.43 176.23 1p7o h MET 8 N 0.00 0.60 -0.22 0.81 2.86 -0.28 -1.39 114.93 117.30 1p7o h MET 8 Ca -0.00 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 1p7o h MET 8 Cb 0.83 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1p7o h MET 8 CO 0.06 0.75 -0.47 0.82 1.06 0.00 0.00 176.91 179.13 1p7o h ILE 9 N 0.54 1.31 0.00 -1.22 2.04 -1.02 -1.83 117.51 117.32 1p7o h ILE 9 Ca 0.09 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1p7o h ILE 9 Cb 0.62 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1p7o h ILE 9 CO 0.04 0.53 -0.15 0.11 0.00 0.00 0.00 178.15 178.68 1p7o h LYS 10 N 0.47 0.00 -0.03 2.37 1.79 -0.87 0.22 116.57 120.51 1p7o h LYS 10 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1p7o h LYS 10 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1p7o h LYS 10 CO 0.09 0.15 -0.05 0.00 -1.08 0.00 0.00 179.45 178.55 1p7o n THR 12 N -4.74 0.27 -3.28 0.00 -2.24 -0.87 -4.46 114.28 98.97 1p7o n THR 12 Ca -0.08 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 1p7o n THR 12 Cb 0.32 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1p7o n THR 12 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1p7o n ILE 13 N -1.92 -0.96 -0.36 2.28 5.41 0.73 -4.81 119.36 119.72 1p7o n ILE 13 Ca 0.05 -3.50 -0.01 0.00 1.00 0.00 0.00 62.75 60.29 1p7o n ILE 13 Cb 0.40 -1.59 0.04 0.00 -0.71 0.00 0.00 39.64 37.78 1p7o n ILE 13 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1p7o n PRO 14 N 2.30 -0.22 -0.02 0.38 -0.02 -1.18 -3.51 135.00 132.74 1p7o n PRO 14 Ca 0.26 1.44 -0.09 0.00 -2.02 0.00 0.00 63.50 63.09 1p7o n PRO 14 Cb 0.50 -2.13 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 1p7o n PRO 14 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p7o h GLY 15 N 0.00 0.66 -2.27 -1.23 0.00 -1.95 -3.46 103.07 94.81 1p7o h GLY 15 Ca 0.32 -0.70 -0.45 0.00 0.00 0.00 0.00 47.33 46.51 1p7o h GLY 15 CO -0.93 0.63 0.34 0.50 0.00 0.00 0.00 176.54 177.08 1p7o s ARG 16 N -4.18 4.30 -0.41 4.80 0.52 -1.23 -5.00 118.95 117.75 1p7o s ARG 16 Ca -0.08 1.17 -0.22 0.00 -0.52 0.00 0.00 55.73 56.08 1p7o s ARG 16 Cb 0.12 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.29 1p7o s ARG 16 CO 0.84 0.03 0.71 -2.00 0.02 0.00 0.00 175.30 174.90 1p7o s GLU 17 N -2.93 3.48 0.41 3.54 2.56 -1.26 -4.82 118.70 119.68 1p7o s GLU 17 Ca 0.59 -0.09 0.20 0.00 0.00 0.00 0.00 54.97 55.68 1p7o s GLU 17 Cb -0.11 -3.89 1.14 0.00 2.00 0.00 0.00 34.13 33.27 1p7o s GLU 17 CO 0.16 -0.96 1.76 -1.35 -0.56 0.00 0.00 175.26 174.30 1p7o h PRO 18 N 8.76 0.35 0.00 4.30 0.11 -1.94 -0.06 132.00 143.52 1p7o h PRO 18 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1p7o h PRO 18 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1p7o h PRO 18 CO 0.91 0.23 0.00 -0.07 -0.21 0.00 0.00 178.00 178.85 1p7o h LEU 19 N 0.36 0.00 0.00 2.35 3.38 -1.93 0.42 115.31 119.88 1p7o h LEU 19 Ca 0.61 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.22 1p7o h LEU 19 Cb 1.61 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.29 1p7o h LEU 19 CO -0.30 0.00 -2.32 0.18 0.09 0.00 0.00 178.44 176.09 1p7o n LEU 20 N -2.43 0.13 -0.10 1.67 4.77 -0.05 -4.19 117.00 116.79 1p7o n LEU 20 Ca 0.01 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1p7o n LEU 20 Cb 0.18 0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1p7o n LEU 20 CO 0.18 0.49 -1.14 0.00 -1.33 0.00 0.00 177.39 175.59 1p7o n ALA 21 N -2.74 1.45 -0.80 -1.18 0.00 -1.10 -4.64 120.51 111.50 1p7o n ALA 21 Ca -0.32 -1.18 0.08 0.00 0.00 0.00 0.00 53.44 52.02 1p7o n ALA 21 Cb 1.15 -0.24 0.18 0.00 0.00 0.00 0.00 19.45 20.53 1p7o n ALA 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p7o n PHE 22 N -2.97 0.46 -0.02 0.00 3.72 0.12 -4.52 117.46 114.25 1p7o n PHE 22 Ca -0.35 -0.83 -0.10 0.00 -0.05 0.00 0.00 57.45 56.11 1p7o n PHE 22 Cb 1.09 -0.19 -0.14 0.00 -0.94 0.00 0.00 39.48 39.30 1p7o n PHE 22 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1p7o n SER 23 N -0.68 1.00 -2.64 4.37 7.64 -1.25 -3.07 113.62 119.00 1p7o n SER 23 Ca 0.16 0.36 -0.06 0.00 1.01 0.00 0.00 58.87 60.33 1p7o n SER 23 Cb 0.68 -0.12 0.04 0.00 -1.01 0.00 0.00 64.21 63.80 1p7o n SER 23 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p7o n ASN 24 N -3.09 2.38 -4.70 6.43 3.02 -1.26 -3.96 115.26 114.08 1p7o n ASN 24 Ca -0.20 -2.48 -0.37 0.00 -0.03 0.00 0.00 54.58 51.49 1p7o n ASN 24 Cb 1.06 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 39.70 1p7o n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1p7o s TYR 25 N -3.72 3.42 0.00 3.10 6.14 -1.25 0.12 117.35 125.16 1p7o s TYR 25 Ca 0.33 0.58 0.00 0.00 0.64 0.00 0.00 57.07 58.62 1p7o s TYR 25 Cb 0.35 -2.41 0.00 0.00 0.42 0.00 0.00 41.96 40.32 1p7o s TYR 25 CO -0.02 0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.72 1p7o n GLY 26 N 3.64 2.19 0.05 8.97 0.00 -0.59 -2.41 105.19 117.04 1p7o n GLY 26 Ca -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.47 1p7o n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7o n TYR 28 N -2.49 0.00 -2.37 0.00 4.02 -1.25 -4.37 117.16 110.69 1p7o n TYR 28 Ca -0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.31 1p7o n TYR 28 Cb 0.83 -0.21 -0.03 0.00 -0.02 0.00 0.00 39.34 39.90 1p7o n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p7o n GLY 30 N 2.08 0.80 1.06 0.00 0.00 -1.17 -3.92 105.19 104.04 1p7o n GLY 30 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1p7o n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p7o n LYS 31 N -2.36 -3.03 0.00 1.61 4.76 -1.19 -4.96 118.16 112.99 1p7o n LYS 31 Ca 0.00 2.24 0.00 0.00 -2.87 0.00 0.00 58.31 57.68 1p7o n LYS 31 Cb 0.00 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 30.68 1p7o n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p7o n GLY 32 N -0.70 1.76 0.00 0.72 0.00 -1.26 -5.04 105.19 100.67 1p7o n GLY 32 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1p7o n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p7o n GLY 33 N 1.28 0.62 1.06 -0.02 0.00 -1.26 -4.37 105.19 102.50 1p7o n GLY 33 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1p7o n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p7o n SER 34 N 0.00 -6.19 -0.48 1.61 3.41 -1.26 -4.73 113.62 105.98 1p7o n SER 34 Ca 0.00 0.84 0.02 0.00 -0.26 0.00 0.00 58.87 59.47 1p7o n SER 34 Cb 0.00 -3.48 -0.00 0.00 -0.26 0.00 0.00 64.21 60.47 1p7o n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p7o n GLY 35 N -3.80 -1.70 3.53 5.00 0.00 -1.24 -4.73 105.19 102.24 1p7o n GLY 35 Ca -0.04 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1p7o n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p7o s THR 36 N -0.34 3.83 0.25 2.61 2.01 -1.18 -5.02 115.64 117.80 1p7o s THR 36 Ca 0.00 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1p7o s THR 36 Cb 0.00 -2.64 -0.13 0.00 0.01 0.00 0.00 72.50 69.74 1p7o s THR 36 CO 0.00 0.53 1.34 -2.65 -0.69 0.00 0.00 174.62 173.15 1p7o n PRO 37 N 3.06 1.92 0.11 4.92 -0.02 -1.26 -4.79 135.00 138.95 1p7o n PRO 37 Ca -0.18 0.68 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1p7o n PRO 37 Cb 0.53 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1p7o n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1p7o h VAL 38 N 2.87 1.27 -2.47 -1.45 -1.51 -1.97 -3.48 116.25 109.51 1p7o h VAL 38 Ca -0.45 -2.60 -0.01 0.00 -1.23 0.00 0.00 66.70 62.41 1p7o h VAL 38 Cb 1.29 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 1p7o h VAL 38 CO 0.72 0.68 0.15 -0.90 -1.23 0.00 0.00 177.57 176.99 1p7o n ASP 39 N -3.37 -1.14 -0.17 4.19 5.68 -1.26 -5.00 116.55 115.47 1p7o n ASP 39 Ca 0.01 -1.78 -0.02 0.00 -0.50 0.00 0.00 54.79 52.50 1p7o n ASP 39 Cb 0.78 1.90 0.07 0.00 -1.14 0.00 0.00 41.12 42.73 1p7o n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1p7o h GLU 40 N 0.00 0.28 -0.10 0.11 4.81 -1.93 -0.49 114.58 117.25 1p7o h GLU 40 Ca -0.17 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1p7o h GLU 40 Cb 0.62 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1p7o h GLU 40 CO 0.21 0.18 -0.09 1.25 -0.73 0.00 0.00 179.01 179.84 1p7o h LEU 41 N 0.29 -0.27 -1.55 1.64 6.46 -1.91 -0.86 115.31 119.11 1p7o h LEU 41 Ca 0.26 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.15 1p7o h LEU 41 Cb 0.33 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1p7o h LEU 41 CO -0.31 -0.12 0.41 -0.78 -0.62 0.00 0.00 178.44 177.02 1p7o h ASP 42 N -0.10 0.48 -0.07 1.25 -0.00 -1.74 -1.55 116.42 114.69 1p7o h ASP 42 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1p7o h ASP 42 Cb 0.20 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1p7o h ASP 42 CO -0.16 0.30 0.04 0.03 -0.00 0.00 0.00 179.24 179.45 1p7o h ARG 43 N 0.54 0.09 -0.67 0.28 3.08 0.24 -1.53 114.38 116.40 1p7o h ARG 43 Ca 0.27 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.46 1p7o h ARG 43 Cb 0.38 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.29 1p7o h ARG 43 CO -0.08 0.06 0.03 0.00 -1.07 0.00 0.00 179.97 178.90 1p7o h GLN 46 N 0.83 0.55 -0.41 0.00 4.15 -0.28 -0.85 115.11 119.10 1p7o h GLN 46 Ca 0.15 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1p7o h GLN 46 Cb 0.55 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1p7o h GLN 46 CO 0.03 0.47 0.27 1.15 -1.93 0.00 0.00 178.83 178.81 1p7o h THR 47 N 0.49 1.09 -0.54 2.39 2.02 -0.45 -1.47 112.91 116.45 1p7o h THR 47 Ca 0.13 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1p7o h THR 47 Cb 0.09 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1p7o h THR 47 CO -0.02 0.10 -0.10 -0.74 0.37 0.00 0.00 175.52 175.13 1p7o h HIS 48 N 0.53 1.13 0.33 3.16 -0.00 -0.07 -1.58 115.15 118.65 1p7o h HIS 48 Ca 0.15 -0.23 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 1p7o h HIS 48 Cb -0.04 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 1p7o h HIS 48 CO -0.00 1.04 -0.16 -0.44 -0.00 0.00 0.00 177.93 178.37 1p7o h ASP 49 N 0.90 -0.37 -0.74 3.26 3.32 -0.21 -1.86 116.42 120.72 1p7o h ASP 49 Ca 0.14 -0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.26 1p7o h ASP 49 Cb 0.66 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 1p7o h ASP 49 CO 0.05 -0.15 -0.20 0.78 -1.72 0.00 0.00 179.24 178.00 1p7o h ASN 50 N -0.58 -0.74 -0.51 6.45 -0.26 -1.23 0.51 115.58 119.23 1p7o h ASN 50 Ca -0.04 0.23 0.09 0.00 -0.56 0.00 0.00 56.30 56.01 1p7o h ASN 50 Cb 0.43 0.47 -0.07 0.00 -1.06 0.00 0.00 38.32 38.09 1p7o h ASN 50 CO 0.07 -0.25 0.11 0.00 -1.06 0.00 0.00 177.43 176.30 1p7o h TYR 52 N 0.25 0.62 -0.44 0.00 -1.99 0.70 -1.32 116.97 114.79 1p7o h TYR 52 Ca 0.25 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.96 1p7o h TYR 52 Cb 0.34 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1p7o h TYR 52 CO -0.22 0.53 0.27 -0.44 -0.00 0.00 0.00 178.16 178.30 1p7o h ASP 53 N 0.60 0.45 -0.53 3.88 3.45 0.14 -2.45 116.42 121.96 1p7o h ASP 53 Ca 0.14 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.52 1p7o h ASP 53 Cb 0.23 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1p7o h ASP 53 CO -0.00 0.33 0.05 0.11 -1.57 0.00 0.00 179.24 178.15 1p7o h LYS 54 N 0.55 0.90 -0.97 3.56 1.57 -0.64 -2.97 116.57 118.58 1p7o h LYS 54 Ca 0.17 -0.26 0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1p7o h LYS 54 Cb -0.02 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 1p7o h LYS 54 CO -0.06 0.90 0.59 0.00 -0.57 0.00 0.00 179.45 180.31 1p7o h ALA 55 N 0.97 1.44 0.00 3.86 0.00 -0.89 0.36 119.26 125.00 1p7o h ALA 55 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p7o h ALA 55 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p7o h ALA 55 CO 0.02 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.85 1p7o n GLU 56 N -4.65 0.19 -0.00 0.00 1.02 -0.96 -2.43 120.64 113.81 1p7o n GLU 56 Ca 0.18 0.16 0.03 0.00 -0.02 0.00 0.00 57.16 57.51 1p7o n GLU 56 Cb 0.34 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 1p7o n GLU 56 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1p7o n LYS 57 N -1.27 2.95 -1.72 3.49 5.02 0.12 -5.02 118.16 121.73 1p7o n LYS 57 Ca 0.06 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1p7o n LYS 57 Cb 0.10 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1p7o n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p7o s LEU 58 N -2.79 4.40 0.42 -0.35 1.43 -0.64 -4.84 118.68 116.31 1p7o s LEU 58 Ca 0.01 2.75 0.20 0.00 -1.03 0.00 0.00 54.13 56.05 1p7o s LEU 58 Cb 0.05 -3.57 1.14 0.00 0.03 0.00 0.00 46.19 43.84 1p7o s LEU 58 CO 0.30 -1.00 1.82 -0.65 0.23 0.00 0.00 176.35 177.04 1p7o h PRO 59 N 8.62 0.35 0.00 1.29 0.11 -1.93 0.42 132.00 140.86 1p7o h PRO 59 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p7o h PRO 59 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p7o h PRO 59 CO 0.95 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 179.36 1p7o n GLU 60 N -4.52 0.01 -3.54 1.05 4.71 -1.26 -4.53 120.64 112.56 1p7o n GLU 60 Ca 0.22 0.32 -0.41 0.00 -0.01 0.00 0.00 57.16 57.28 1p7o n GLU 60 Cb 0.82 -1.52 -0.09 0.00 -1.01 0.00 0.00 31.44 29.64 1p7o n GLU 60 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p7o s LYS 62 N 1.44 1.06 0.00 0.00 -2.85 -1.26 -4.82 119.74 113.30 1p7o s LYS 62 Ca 0.04 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1p7o s LYS 62 Cb -0.25 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1p7o s LYS 62 CO 0.02 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.46 1p7o n GLY 63 N -0.22 2.57 3.72 0.59 0.00 -1.26 -4.78 105.19 105.82 1p7o n GLY 63 Ca -0.16 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1p7o n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p7o n ILE 64 N 1.01 0.90 -3.67 -0.61 5.41 -1.26 -2.62 119.36 118.53 1p7o n ILE 64 Ca 0.00 -0.23 -0.23 0.00 1.00 0.00 0.00 62.75 63.29 1p7o n ILE 64 Cb 0.00 -1.83 0.06 0.00 -0.71 0.00 0.00 39.64 37.16 1p7o n ILE 64 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1p7o n LEU 65 N 2.33 -3.24 -0.49 1.39 4.77 -1.26 -4.89 117.00 115.60 1p7o n LEU 65 Ca 0.10 -0.69 0.09 0.00 -0.03 0.00 0.00 56.01 55.48 1p7o n LEU 65 Cb 0.35 -2.84 0.02 0.00 -2.33 0.00 0.00 43.42 38.62 1p7o n LEU 65 CO 0.64 0.49 0.34 -1.54 -1.33 0.00 0.00 177.39 175.98 1p7o n SER 66 N -3.00 1.94 -4.74 -1.43 3.41 -1.08 -3.85 113.62 104.87 1p7o n SER 66 Ca -0.13 -1.47 -0.34 0.00 -0.26 0.00 0.00 58.87 56.68 1p7o n SER 66 Cb 0.61 0.37 0.08 0.00 -0.26 0.00 0.00 64.21 65.00 1p7o n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p7o s GLY 67 N -1.97 2.25 0.58 5.00 0.00 -1.26 -4.68 107.32 107.24 1p7o s GLY 67 Ca 0.17 0.75 0.29 0.00 0.00 0.00 0.00 44.72 45.93 1p7o s GLY 67 CO 0.41 1.14 2.24 -0.56 0.00 0.00 0.00 173.10 176.33 1p7o h PRO 68 N -0.27 0.00 -0.18 2.90 0.13 -1.92 0.13 132.00 132.80 1p7o h PRO 68 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1p7o h PRO 68 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1p7o h PRO 68 CO 0.51 0.01 -0.27 1.88 -0.23 0.00 0.00 178.00 179.90 1p7o h TYR 69 N 0.00 0.63 -0.01 1.56 -1.99 -1.95 -3.37 116.97 111.84 1p7o h TYR 69 Ca -0.00 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.52 1p7o h TYR 69 Cb 0.03 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.64 1p7o h TYR 69 CO 0.00 0.91 -0.27 1.19 -0.00 0.00 0.00 178.16 179.99 1p7o n PHE 70 N -4.38 0.00 -2.37 4.88 3.72 -1.14 -1.16 117.46 117.00 1p7o n PHE 70 Ca -0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.91 1p7o n PHE 70 Cb 0.45 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 1p7o n PHE 70 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1p7o s ASN 71 N -1.51 6.34 -0.33 4.37 3.84 0.02 -4.72 114.94 122.95 1p7o s ASN 71 Ca 0.08 0.75 -0.29 0.00 0.21 0.00 0.00 52.86 53.61 1p7o s ASN 71 Cb 0.08 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 1p7o s ASN 71 CO 0.29 -1.44 1.15 -0.89 -2.79 0.00 0.00 177.10 173.42 1p7o s THR 72 N 5.41 4.36 0.49 -5.21 2.01 -1.26 -0.77 115.64 120.67 1p7o s THR 72 Ca 0.60 1.54 0.08 0.00 0.31 0.00 0.00 61.69 64.22 1p7o s THR 72 Cb -0.13 -4.36 0.03 0.00 0.01 0.00 0.00 72.50 68.06 1p7o s THR 72 CO 0.32 -0.54 0.56 -0.72 -0.69 0.00 0.00 174.62 173.56 1p7o s TYR 73 N 3.96 2.17 -0.21 4.92 -0.85 -1.26 -4.90 117.35 121.18 1p7o s TYR 73 Ca 0.49 -0.59 -0.08 0.00 -0.52 0.00 0.00 57.07 56.37 1p7o s TYR 73 Cb -0.13 -2.20 -0.04 0.00 0.38 0.00 0.00 41.96 39.97 1p7o s TYR 73 CO 0.20 -0.57 0.07 0.45 -1.52 0.00 0.00 175.55 174.17 1p7o s SER 74 N -4.38 5.45 0.32 -0.18 0.15 -1.26 -4.94 113.70 108.87 1p7o s SER 74 Ca 0.52 -0.04 -0.14 0.00 0.70 0.00 0.00 55.95 57.00 1p7o s SER 74 Cb -0.06 -1.96 0.02 0.00 -1.71 0.00 0.00 66.02 62.32 1p7o s SER 74 CO 0.32 0.08 0.63 -0.72 1.20 0.00 0.00 173.24 174.75 1p7o s TYR 75 N 0.93 0.30 -0.06 3.44 -0.85 -1.26 -1.15 117.35 118.70 1p7o s TYR 75 Ca 0.04 -0.76 -0.12 0.00 -0.52 0.00 0.00 57.07 55.71 1p7o s TYR 75 Cb -0.14 0.46 0.02 0.00 0.38 0.00 0.00 41.96 42.69 1p7o s TYR 75 CO 0.03 -1.27 0.29 0.34 -1.52 0.00 0.00 175.55 173.43 1p7o s ASP 76 N -3.06 -0.23 -0.26 -0.18 -1.08 0.12 -4.86 116.67 107.12 1p7o s ASP 76 Ca 0.19 0.32 0.02 0.00 -0.52 0.00 0.00 52.55 52.56 1p7o s ASP 76 Cb -0.03 0.46 0.07 0.00 -1.46 0.00 0.00 42.92 41.95 1p7o s ASP 76 CO 0.12 -0.28 -0.06 0.00 0.52 0.00 0.00 175.17 175.46 1p7o s THR 78 N 1.20 0.67 -1.39 0.00 2.01 -0.80 -4.83 115.64 112.49 1p7o s THR 78 Ca -0.05 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 1p7o s THR 78 Cb -0.19 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1p7o s THR 78 CO -0.06 0.27 0.76 -0.67 -0.69 0.00 0.00 174.62 174.23 1p7o n ASP 79 N 4.31 -2.25 -0.07 3.53 -0.08 -1.26 -2.09 116.55 118.65 1p7o n ASP 79 Ca -0.20 -0.83 -0.01 0.00 -1.51 0.00 0.00 54.79 52.25 1p7o n ASP 79 Cb 0.51 -3.90 -0.00 0.00 2.34 0.00 0.00 41.12 40.06 1p7o n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p7o n GLY 80 N -1.65 0.36 3.38 0.27 0.00 -1.26 -5.02 105.19 101.28 1p7o n GLY 80 Ca -0.19 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1p7o n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p7o s LYS 81 N -1.06 1.42 -0.16 1.61 1.02 -0.89 -4.60 119.74 117.08 1p7o s LYS 81 Ca 0.00 -1.32 -0.06 0.00 0.02 0.00 0.00 55.97 54.61 1p7o s LYS 81 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1p7o s LYS 81 CO 0.00 0.45 0.03 -0.51 -0.92 0.00 0.00 175.35 174.40 1p7o s LEU 82 N -1.98 3.64 -0.12 3.17 1.43 -1.26 -1.90 118.68 121.66 1p7o s LEU 82 Ca 0.14 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1p7o s LEU 82 Cb -0.10 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1p7o s LEU 82 CO 0.06 0.21 -0.12 -0.89 0.23 0.00 0.00 176.35 175.83 1p7o s THR 83 N 0.16 1.36 -0.42 5.49 2.01 0.10 -4.97 115.64 119.37 1p7o s THR 83 Ca 0.03 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1p7o s THR 83 Cb -0.13 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1p7o s THR 83 CO 0.01 0.42 0.77 0.00 -0.69 0.00 0.00 174.62 175.13 1p7o n ASN 85 N 6.59 1.35 -4.75 0.00 3.02 -0.30 -4.92 115.26 116.25 1p7o n ASN 85 Ca 0.02 -1.57 -0.41 0.00 -0.03 0.00 0.00 54.58 52.59 1p7o n ASN 85 Cb 0.48 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 1p7o n ASN 85 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1p7o s ASP 86 N -1.73 7.09 0.23 6.41 1.01 -1.22 -4.88 116.67 123.58 1p7o s ASP 86 Ca 0.35 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.92 1p7o s ASP 86 Cb 0.18 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1p7o s ASP 86 CO 0.29 -0.33 0.00 0.00 0.21 0.00 0.00 175.17 175.34 1p7o n GLN 87 N 1.88 0.00 0.26 8.23 6.02 -1.26 -4.82 117.38 127.69 1p7o n GLN 87 Ca 0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 1p7o n GLN 87 Cb 0.44 -0.13 0.88 0.00 1.02 0.00 0.00 30.24 32.45 1p7o n GLN 87 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1p7o h ASN 88 N 0.00 0.00 -3.79 1.08 -0.00 -2.04 -3.36 115.58 107.47 1p7o h ASN 88 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 56.30 55.67 1p7o h ASN 88 Cb 0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 38.32 37.94 1p7o h ASN 88 CO 0.00 0.00 -0.70 -0.62 -0.00 0.00 0.00 177.43 176.11 1p7o s ASP 89 N -5.94 4.25 0.35 1.15 3.68 -1.26 -4.98 116.67 113.90 1p7o s ASP 89 Ca -0.05 -2.47 0.06 0.00 2.13 0.00 0.00 52.55 52.22 1p7o s ASP 89 Cb 0.15 -1.38 0.72 0.00 -1.45 0.00 0.00 42.92 40.96 1p7o s ASP 89 CO 0.54 -0.31 1.91 0.11 0.13 0.00 0.00 175.17 177.55 1p7o h LYS 90 N 7.12 0.77 0.26 4.34 1.57 -1.91 -1.99 116.57 126.72 1p7o h LYS 90 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1p7o h LYS 90 Cb 0.96 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1p7o h LYS 90 CO 0.56 0.51 -0.13 0.00 -0.57 0.00 0.00 179.45 179.82 1p7o h LYS 92 N -0.36 0.03 -0.05 0.00 1.57 -1.78 -2.04 116.57 113.94 1p7o h LYS 92 Ca -0.03 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1p7o h LYS 92 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1p7o h LYS 92 CO 0.05 0.02 -0.08 1.25 -0.57 0.00 0.00 179.45 180.12 1p7o h LEU 93 N 0.03 0.16 0.36 2.94 5.85 -0.62 -1.52 115.31 122.52 1p7o h LEU 93 Ca 0.08 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1p7o h LEU 93 Cb 0.27 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1p7o h LEU 93 CO -0.00 0.67 -0.46 0.15 -0.34 0.00 0.00 178.44 178.46 1p7o h PHE 94 N -0.34 -1.27 -0.63 1.25 3.57 -0.23 -0.95 116.94 118.34 1p7o h PHE 94 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1p7o h PHE 94 Cb 0.63 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 1p7o h PHE 94 CO 0.11 -0.60 0.26 0.82 -2.23 0.00 0.00 178.31 176.67 1p7o h ILE 95 N -0.86 0.80 -0.69 1.41 2.04 -1.47 -0.02 117.51 118.73 1p7o h ILE 95 Ca -0.03 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1p7o h ILE 95 Cb 0.78 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1p7o h ILE 95 CO -0.12 0.08 0.45 0.00 0.00 0.00 0.00 178.15 178.57 1p7o h ASN 97 N 0.82 0.71 -0.47 0.00 2.35 0.26 -0.94 115.58 118.31 1p7o h ASN 97 Ca 0.27 -0.39 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1p7o h ASN 97 Cb 0.07 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1p7o h ASN 97 CO -0.08 1.13 0.21 0.00 -1.65 0.00 0.00 177.43 177.04 1p7o h ASP 99 N 0.42 0.87 0.59 0.00 3.32 -1.30 -2.51 116.42 117.81 1p7o h ASP 99 Ca 0.21 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1p7o h ASP 99 Cb 0.16 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.46 1p7o h ASP 99 CO -0.17 1.26 -0.28 -0.09 -1.72 0.00 0.00 179.24 178.23 1p7o h ARG 100 N 0.59 -0.76 -0.83 3.56 2.43 -0.88 0.45 114.38 118.93 1p7o h ARG 100 Ca 0.00 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.37 1p7o h ARG 100 Cb 1.17 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 1p7o h ARG 100 CO 0.12 -0.48 0.42 1.15 -1.51 0.00 0.00 179.97 179.67 1p7o h THR 101 N -0.87 0.72 -0.41 0.20 2.02 -1.03 -0.93 112.91 112.61 1p7o h THR 101 Ca -0.08 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1p7o h THR 101 Cb 0.63 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1p7o h THR 101 CO 0.13 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.11 1p7o h ALA 102 N 1.55 0.56 -0.74 6.16 0.00 -1.20 -1.46 119.26 124.13 1p7o h ALA 102 Ca 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1p7o h ALA 102 Cb 0.65 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1p7o h ALA 102 CO -0.37 0.36 0.40 0.00 0.00 0.00 0.00 179.25 179.65 1p7o h ALA 103 N 0.88 0.95 -0.21 0.00 0.00 0.35 -0.40 119.26 120.83 1p7o h ALA 103 Ca 0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1p7o h ALA 103 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1p7o h ALA 103 CO 0.03 0.47 -0.34 0.52 0.00 0.00 0.00 179.25 179.93 1p7o h MET 104 N 1.03 0.45 -0.48 0.00 2.86 -1.15 -2.58 114.93 115.06 1p7o h MET 104 Ca 0.26 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1p7o h MET 104 Cb 0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1p7o h MET 104 CO -0.04 0.74 -0.05 0.00 1.06 0.00 0.00 176.91 178.62 1p7o h PHE 106 N 0.72 -0.22 -0.93 0.00 -1.00 -0.94 -1.57 116.94 113.00 1p7o h PHE 106 Ca 0.13 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.03 1p7o h PHE 106 Cb 0.57 0.08 -0.07 0.00 3.61 0.00 0.00 35.95 40.14 1p7o h PHE 106 CO 0.04 -0.14 0.60 0.00 -1.61 0.00 0.00 178.31 177.20 1p7o h ALA 107 N 0.66 1.66 0.00 2.45 0.00 -1.36 -2.49 119.26 120.18 1p7o h ALA 107 Ca -0.01 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1p7o h ALA 107 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1p7o h ALA 107 CO 0.00 0.11 -0.94 -0.22 0.00 0.00 0.00 179.25 178.20 1p7o h LYS 108 N 0.86 0.00 -6.95 0.00 3.64 -1.23 -3.46 116.57 109.43 1p7o h LYS 108 Ca 0.46 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 59.37 1p7o h LYS 108 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1p7o h LYS 108 CO -0.22 0.94 0.35 0.00 -2.27 0.00 0.00 179.45 178.26 1p7o s ALA 109 N -2.77 3.14 0.54 5.00 0.00 -0.61 -5.02 121.76 122.03 1p7o s ALA 109 Ca 0.01 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 1p7o s ALA 109 Cb 0.10 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1p7o s ALA 109 CO 0.81 0.10 1.26 -2.14 0.00 0.00 0.00 175.76 175.79 1p7o s PRO 110 N -2.48 3.25 -0.33 0.00 0.02 -1.26 -4.91 135.00 129.29 1p7o s PRO 110 Ca 0.55 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 1p7o s PRO 110 Cb -0.16 -2.19 0.03 0.00 0.02 0.00 0.00 34.50 32.20 1p7o s PRO 110 CO 0.21 -1.02 0.10 -0.47 -0.33 0.00 0.00 177.00 175.49 1p7o s TYR 111 N -1.46 3.24 -0.75 6.54 5.04 -1.26 -4.48 117.35 124.22 1p7o s TYR 111 Ca 0.71 -1.34 -0.16 0.00 -2.44 0.00 0.00 57.07 53.85 1p7o s TYR 111 Cb -0.34 -2.28 0.17 0.00 0.35 0.00 0.00 41.96 39.86 1p7o s TYR 111 CO 0.40 -0.70 0.77 1.21 -1.34 0.00 0.00 175.55 175.88 1p7o s ASN 112 N 1.42 6.53 0.56 4.32 3.84 -1.26 -4.92 114.94 125.44 1p7o s ASN 112 Ca -0.01 -2.19 0.34 0.00 0.21 0.00 0.00 52.86 51.21 1p7o s ASN 112 Cb -0.19 -2.26 1.46 0.00 -0.55 0.00 0.00 41.25 39.71 1p7o s ASN 112 CO 0.03 -0.81 1.77 -0.33 -2.79 0.00 0.00 177.10 174.97 1p7o h GLU 113 N 8.41 0.00 0.00 0.43 5.08 -1.98 0.15 114.58 126.67 1p7o h GLU 113 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1p7o h GLU 113 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1p7o h GLU 113 CO 0.93 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 178.82 1p7o h ALA 114 N 1.31 1.43 -0.01 3.43 0.00 -2.03 -2.29 119.26 121.10 1p7o h ALA 114 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1p7o h ALA 114 Cb 2.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1p7o h ALA 114 CO -0.00 0.14 -0.14 0.66 0.00 0.00 0.00 179.25 179.90 1p7o n TYR 115 N -3.86 0.00 -2.59 0.00 0.53 0.51 -4.85 117.16 106.90 1p7o n TYR 115 Ca -0.02 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.48 1p7o n TYR 115 Cb 0.21 -0.12 -0.05 0.00 -1.03 0.00 0.00 39.34 38.36 1p7o n TYR 115 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1p7o s ASN 116 N -2.38 7.04 -1.27 7.72 2.47 -0.86 -1.54 114.94 126.11 1p7o s ASN 116 Ca 0.29 2.05 -0.03 0.00 0.42 0.00 0.00 52.86 55.59 1p7o s ASN 116 Cb 0.20 -2.60 0.01 0.00 -1.45 0.00 0.00 41.25 37.41 1p7o s ASN 116 CO 0.46 -0.29 1.02 1.41 -3.72 0.00 0.00 177.10 175.98 1p7o n HIS 117 N 0.43 -2.36 -2.62 0.43 8.25 0.32 -4.94 115.22 114.74 1p7o n HIS 117 Ca 0.03 0.95 -0.38 0.00 -0.26 0.00 0.00 57.72 58.06 1p7o n HIS 117 Cb 0.48 -4.95 -0.05 0.00 1.12 0.00 0.00 29.99 26.59 1p7o n HIS 117 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1p7o s PHE 118 N -3.38 3.55 -0.46 4.41 2.19 -0.68 -5.00 117.98 118.60 1p7o s PHE 118 Ca 0.19 1.73 -0.28 0.00 0.33 0.00 0.00 56.93 58.90 1p7o s PHE 118 Cb -0.09 -3.08 0.03 0.00 -1.31 0.00 0.00 43.02 38.57 1p7o s PHE 118 CO 0.74 -0.24 1.09 1.21 1.83 0.00 0.00 175.22 179.86 1p7o s ASN 119 N -1.38 6.63 0.58 6.13 2.47 -1.26 -4.85 114.94 123.25 1p7o s ASN 119 Ca 0.51 0.44 0.39 0.00 0.42 0.00 0.00 52.86 54.62 1p7o s ASN 119 Cb -0.24 -2.53 2.03 0.00 -1.45 0.00 0.00 41.25 39.07 1p7o s ASN 119 CO 0.30 -1.18 2.18 0.03 -3.72 0.00 0.00 177.10 174.71 1p7o h ARG 120 N 9.10 0.00 -0.07 0.43 -0.00 -1.94 -2.47 114.38 119.43 1p7o h ARG 120 Ca -0.23 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.27 1p7o h ARG 120 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.03 1p7o h ARG 120 CO 1.10 0.00 0.07 1.96 0.00 0.00 0.00 179.97 183.10 1p7o h GLN 121 N 0.00 0.00 -0.16 0.04 1.08 -2.00 -0.62 115.11 113.45 1p7o h GLN 121 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1p7o h GLN 121 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1p7o h GLN 121 CO 0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16 1p7o n LEU 122 N -4.06 1.18 0.02 1.46 4.77 -0.93 -4.05 117.00 115.38 1p7o n LEU 122 Ca -0.01 -0.53 0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1p7o n LEU 122 Cb 0.17 -0.11 0.39 0.00 -2.33 0.00 0.00 43.42 41.55 1p7o n LEU 122 CO 0.30 0.27 0.67 0.00 -1.33 0.00 0.00 177.39 177.30