#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7m s GLU 2 N 0.00 3.28 0.68 0.03 2.02 -1.26 -4.51 118.70 118.94 1p7m s GLU 2 Ca 0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 1p7m s GLU 2 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1p7m s GLU 2 CO 0.00 0.52 1.06 1.03 0.02 0.00 0.00 175.26 177.89 1p7m s ARG 3 N -3.11 3.00 0.57 1.61 0.52 -1.26 0.41 118.95 120.69 1p7m s ARG 3 Ca 0.33 0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 56.35 1p7m s ARG 3 Cb -0.11 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1p7m s ARG 3 CO 0.27 -1.05 1.07 0.00 0.02 0.00 0.00 175.30 175.61 1p7m h GLY 5 N 0.78 0.00 -0.31 0.00 0.00 -1.97 0.32 103.07 101.88 1p7m h GLY 5 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1p7m h GLY 5 CO 0.57 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.98 1p7m n TRP 6 N -3.73 0.00 0.00 5.60 -0.00 -1.26 -3.28 117.44 114.77 1p7m n TRP 6 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1p7m n TRP 6 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.90 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1p7m n VAL 7 N -0.31 0.00 1.18 5.87 0.31 0.11 -4.77 118.33 120.72 1p7m n VAL 7 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1p7m n VAL 7 Cb 0.06 -0.01 0.24 0.00 -0.91 0.00 0.00 33.84 33.22 1p7m n VAL 7 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1p7m n SER 8 N -0.29 0.00 0.00 4.52 2.88 -1.02 -4.10 113.62 115.61 1p7m n SER 8 Ca 0.00 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1p7m n SER 8 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1p7m n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p7m n GLN 9 N -0.71 0.00 -2.21 -1.46 1.13 -1.26 -5.03 117.38 107.84 1p7m n GLN 9 Ca 0.06 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.71 1p7m n GLN 9 Cb 0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 30.24 30.30 1p7m n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1p7m s ASP 10 N -1.88 6.91 -0.05 1.08 1.11 -1.26 -4.97 116.67 117.61 1p7m s ASP 10 Ca 0.00 2.56 -0.23 0.00 0.18 0.00 0.00 52.55 55.06 1p7m s ASP 10 Cb 0.00 -2.64 -0.17 0.00 1.07 0.00 0.00 42.92 41.18 1p7m s ASP 10 CO 0.00 -0.43 0.95 1.55 1.18 0.00 0.00 175.17 178.42 1p7m h PRO 11 N 3.68 -0.16 -0.70 8.23 0.13 -1.96 -3.27 132.00 137.96 1p7m h PRO 11 Ca -0.48 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1p7m h PRO 11 Cb 1.22 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1p7m h PRO 11 CO 0.67 0.33 0.47 -0.07 -0.23 0.00 0.00 178.00 179.17 1p7m h LEU 12 N -0.79 0.37 -0.99 1.56 4.07 -1.96 -0.02 115.31 117.54 1p7m h LEU 12 Ca -0.02 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.11 1p7m h LEU 12 Cb 0.55 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.14 1p7m h LEU 12 CO 0.03 0.20 0.61 1.88 -1.08 0.00 0.00 178.44 180.08 1p7m h TYR 13 N 0.40 1.09 -1.00 1.13 -1.99 -1.91 0.14 116.97 114.83 1p7m h TYR 13 Ca 0.34 0.03 0.13 0.00 2.00 0.00 0.00 58.73 61.23 1p7m h TYR 13 Cb 0.77 -0.34 -0.09 0.00 2.00 0.00 0.00 36.73 39.08 1p7m h TYR 13 CO -0.00 0.34 0.63 0.82 -0.00 0.00 0.00 178.16 179.94 1p7m h ILE 14 N 0.87 0.89 0.04 -2.88 2.04 -1.10 1.11 117.51 118.48 1p7m h ILE 14 Ca 0.53 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1p7m h ILE 14 Cb 0.69 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1p7m h ILE 14 CO -0.33 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 177.98 1p7m h ALA 15 N 1.56 -0.06 -0.86 1.87 0.00 -0.85 -2.44 119.26 118.48 1p7m h ALA 15 Ca 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p7m h ALA 15 Cb 0.56 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1p7m h ALA 15 CO -0.28 -0.23 0.52 -0.92 0.00 0.00 0.00 179.25 178.35 1p7m h TYR 16 N -0.67 1.12 -0.55 0.00 3.20 -0.73 -1.15 116.97 118.20 1p7m h TYR 16 Ca -0.01 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1p7m h TYR 16 Cb 0.59 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1p7m h TYR 16 CO 0.12 0.74 0.33 1.25 -1.64 0.00 0.00 178.16 178.97 1p7m h HIS 17 N 1.18 0.62 -0.02 -3.82 2.76 0.12 -2.03 115.15 113.96 1p7m h HIS 17 Ca 0.31 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.40 1p7m h HIS 17 Cb -0.06 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1p7m h HIS 17 CO -0.00 0.35 -0.44 -0.44 -1.30 0.00 0.00 177.93 176.10 1p7m h ASP 18 N 0.66 0.04 0.36 3.26 3.32 -0.90 -3.14 116.42 120.01 1p7m h ASP 18 Ca 0.22 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1p7m h ASP 18 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1p7m h ASP 18 CO -0.10 0.47 -0.17 0.78 -1.72 0.00 0.00 179.24 178.50 1p7m h ASN 19 N 0.03 -0.41 0.00 6.45 2.35 -0.47 -3.44 115.58 120.09 1p7m h ASN 19 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1p7m h ASN 19 Cb 0.79 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1p7m h ASN 19 CO 0.06 -0.28 0.00 -1.84 -1.65 0.00 0.00 177.43 173.71 1p7m n GLU 20 N -5.29 0.00 -0.72 0.81 0.28 -1.17 -4.98 120.64 109.56 1p7m n GLU 20 Ca -0.11 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.67 1p7m n GLU 20 Cb 0.21 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.06 1p7m n GLU 20 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1p7m n TRP 21 N 0.00 1.32 -2.64 -1.84 -0.00 -1.19 -4.02 117.44 109.08 1p7m n TRP 21 Ca 0.00 -1.86 -0.08 0.00 -0.00 0.00 0.00 57.50 55.56 1p7m n TRP 21 Cb 0.00 -1.61 0.04 0.00 -0.00 0.00 0.00 31.31 29.74 1p7m n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p7m n GLY 22 N 3.83 0.10 0.18 5.87 0.00 -1.13 -4.64 105.19 109.40 1p7m n GLY 22 Ca 0.42 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1p7m n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p7m n VAL 23 N -2.41 0.96 -3.36 1.61 0.31 -1.26 -3.71 118.33 110.48 1p7m n VAL 23 Ca -0.12 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.57 1p7m n VAL 23 Cb 0.57 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.20 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1p7m s PRO 24 N -2.33 3.74 0.42 5.55 0.04 -1.26 -4.91 135.00 136.25 1p7m s PRO 24 Ca -0.23 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 60.75 1p7m s PRO 24 Cb 0.07 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 1p7m s PRO 24 CO 0.37 0.26 1.22 -2.00 0.04 0.00 0.00 177.00 176.89 1p7m s GLU 25 N -3.13 3.92 0.05 4.56 2.12 -1.26 -4.37 118.70 120.60 1p7m s GLU 25 Ca 0.46 1.94 -0.02 0.00 0.36 0.00 0.00 54.97 57.72 1p7m s GLU 25 Cb -0.11 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1p7m s GLU 25 CO 0.25 -0.46 0.23 0.95 -0.54 0.00 0.00 175.26 175.69 1p7m s THR 26 N -1.39 5.36 0.43 -1.70 -4.23 -1.25 -5.06 115.64 107.79 1p7m s THR 26 Ca 0.59 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.90 1p7m s THR 26 Cb -0.33 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1p7m s THR 26 CO 0.41 0.18 0.61 -1.81 -0.54 0.00 0.00 174.62 173.47 1p7m s ASP 27 N -2.32 5.76 0.49 3.99 1.01 -1.26 -4.90 116.67 119.43 1p7m s ASP 27 Ca 0.34 -0.02 0.19 0.00 0.71 0.00 0.00 52.55 53.77 1p7m s ASP 27 Cb -0.13 -1.20 1.23 0.00 1.01 0.00 0.00 42.92 43.84 1p7m s ASP 27 CO 0.25 -0.70 2.01 0.28 0.21 0.00 0.00 175.17 177.22 1p7m h SER 28 N 0.54 0.15 -0.46 0.27 0.02 -1.95 -1.35 113.55 110.78 1p7m h SER 28 Ca -0.44 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1p7m h SER 28 Cb 1.27 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1p7m h SER 28 CO 0.53 0.09 0.04 0.11 -1.14 0.00 0.00 176.83 176.46 1p7m h LYS 29 N 0.16 0.78 -0.38 3.45 1.79 -2.01 -2.80 116.57 117.55 1p7m h LYS 29 Ca 0.23 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1p7m h LYS 29 Cb 0.70 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1p7m h LYS 29 CO -0.03 0.81 0.04 0.87 -1.08 0.00 0.00 179.45 180.06 1p7m h LYS 30 N 0.63 0.59 -0.87 3.15 1.79 -1.62 -2.50 116.57 117.74 1p7m h LYS 30 Ca 0.13 -0.12 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1p7m h LYS 30 Cb 0.44 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1p7m h LYS 30 CO 0.02 0.58 0.53 -0.07 -1.08 0.00 0.00 179.45 179.43 1p7m h LEU 31 N 0.57 0.80 -0.27 2.94 -0.00 -1.22 0.43 115.31 118.56 1p7m h LEU 31 Ca 0.12 0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.93 1p7m h LEU 31 Cb 0.30 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1p7m h LEU 31 CO 0.01 0.49 -0.25 0.15 -0.00 0.00 0.00 178.44 178.84 1p7m h PHE 32 N 0.93 0.78 -0.19 1.13 3.57 -1.40 -1.24 116.94 120.51 1p7m h PHE 32 Ca 0.40 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1p7m h PHE 32 Cb 0.27 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1p7m h PHE 32 CO -0.04 0.95 -0.16 0.93 -2.23 0.00 0.00 178.31 177.77 1p7m h GLU 33 N 0.38 0.44 0.10 1.11 5.08 -1.23 -2.49 114.58 117.98 1p7m h GLU 33 Ca 0.05 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1p7m h GLU 33 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1p7m h GLU 33 CO 0.06 0.78 -0.05 1.98 -1.00 0.00 0.00 179.01 180.79 1p7m h MET 34 N 0.12 -0.12 0.00 2.33 4.05 -0.18 -2.24 114.93 118.88 1p7m h MET 34 Ca 0.03 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1p7m h MET 34 Cb 0.68 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1p7m h MET 34 CO 0.04 0.02 -0.04 0.97 0.23 0.00 0.00 176.91 178.13 1p7m h ILE 35 N -0.24 0.64 0.24 1.77 6.09 -1.28 0.42 117.51 125.16 1p7m h ILE 35 Ca -0.01 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.31 1p7m h ILE 35 Cb 0.20 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1p7m h ILE 35 CO 0.02 0.04 -0.11 0.00 -3.07 0.00 0.00 178.15 175.03 1p7m h LEU 37 N -0.74 0.84 -1.57 0.00 -0.00 -1.15 -2.89 115.31 109.79 1p7m h LEU 37 Ca -0.03 -0.48 -0.02 0.00 -0.00 0.00 0.00 57.88 57.35 1p7m h LEU 37 Cb 0.50 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1p7m h LEU 37 CO 0.05 1.25 0.02 -0.08 -0.00 0.00 0.00 178.44 179.68 1p7m h GLU 38 N 0.55 0.29 0.00 1.13 4.57 -0.19 -0.78 114.58 120.15 1p7m h GLU 38 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1p7m h GLU 38 Cb 1.20 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1p7m h GLU 38 CO 0.13 0.30 0.00 0.41 -1.18 0.00 0.00 179.01 178.67 1p7m n GLY 39 N -1.19 -1.61 0.10 1.92 0.00 0.31 -3.21 105.19 101.52 1p7m n GLY 39 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1p7m n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p7m n GLN 40 N -2.10 0.30 -0.00 1.61 6.02 -0.31 -3.96 117.38 118.94 1p7m n GLN 40 Ca 0.05 -0.20 0.13 0.00 -0.01 0.00 0.00 57.00 56.97 1p7m n GLN 40 Cb 0.39 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 30.91 1p7m n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p7m n GLN 41 N -1.17 1.03 -1.79 -1.09 10.64 -1.11 -4.39 117.38 119.49 1p7m n GLN 41 Ca 0.07 -0.04 -0.42 0.00 -1.83 0.00 0.00 57.00 54.78 1p7m n GLN 41 Cb 0.35 -1.41 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 1p7m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p7m s ALA 42 N -2.00 3.40 0.00 2.61 0.00 -1.25 -1.65 121.76 122.86 1p7m s ALA 42 Ca 0.39 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1p7m s ALA 42 Cb 0.18 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1p7m s ALA 42 CO 0.30 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1p7m n GLY 43 N 4.69 2.18 3.90 0.00 0.00 -1.26 -4.93 105.19 109.76 1p7m n GLY 43 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1p7m n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p7m s LEU 44 N 0.00 4.36 0.63 0.99 1.43 -0.66 -5.07 118.68 120.35 1p7m s LEU 44 Ca 0.00 0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 1p7m s LEU 44 Cb 0.00 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1p7m s LEU 44 CO 0.00 0.23 1.15 -0.44 0.23 0.00 0.00 176.35 177.52 1p7m s SER 45 N -1.92 5.14 0.32 2.29 0.01 -1.26 -4.51 113.70 113.77 1p7m s SER 45 Ca 0.29 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.73 1p7m s SER 45 Cb -0.13 -2.57 0.54 0.00 0.21 0.00 0.00 66.02 64.07 1p7m s SER 45 CO 0.19 -1.61 1.98 -0.25 0.41 0.00 0.00 173.24 173.96 1p7m h TRP 46 N 0.44 0.90 -0.30 2.43 2.91 -1.96 -1.51 115.95 118.86 1p7m h TRP 46 Ca -0.48 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.44 1p7m h TRP 46 Cb 1.27 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1p7m h TRP 46 CO 0.51 0.58 -0.26 0.97 -1.03 0.00 0.00 178.44 179.21 1p7m h ILE 47 N 0.97 1.27 -0.80 2.65 -0.00 -1.99 -1.21 117.51 118.39 1p7m h ILE 47 Ca 0.26 -1.33 0.02 0.00 -0.00 0.00 0.00 64.86 63.81 1p7m h ILE 47 Cb -0.09 1.32 -0.04 0.00 -0.00 0.00 0.00 36.82 38.01 1p7m h ILE 47 CO -0.05 0.43 0.52 0.74 -0.00 0.00 0.00 178.15 179.79 1p7m h THR 48 N 0.52 1.18 -0.26 2.19 2.02 -1.65 -0.92 112.91 115.99 1p7m h THR 48 Ca 0.07 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1p7m h THR 48 Cb 0.72 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1p7m h THR 48 CO 0.06 0.19 -0.27 0.58 0.37 0.00 0.00 175.52 176.44 1p7m h VAL 49 N 1.06 1.27 -0.04 3.16 2.07 -1.02 -2.67 116.25 120.08 1p7m h VAL 49 Ca 0.30 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1p7m h VAL 49 Cb -0.08 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1p7m h VAL 49 CO -0.08 0.42 -0.12 0.25 0.02 0.00 0.00 177.57 178.06 1p7m h LEU 50 N 0.46 -0.37 -0.73 2.57 6.46 0.04 1.89 115.31 125.64 1p7m h LEU 50 Ca 0.06 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 1p7m h LEU 50 Cb 0.71 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 1p7m h LEU 50 CO 0.05 -0.17 0.44 0.11 -0.62 0.00 0.00 178.44 178.26 1p7m h LYS 51 N -0.19 0.82 0.00 1.25 1.57 -1.35 0.18 116.57 118.85 1p7m h LYS 51 Ca 0.06 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1p7m h LYS 51 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1p7m h LYS 51 CO -0.15 0.54 -0.31 0.87 -0.57 0.00 0.00 179.45 179.83 1p7m h LYS 52 N 0.84 0.00 -0.75 3.15 6.56 -0.89 -2.75 116.57 122.73 1p7m h LYS 52 Ca 0.30 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 60.01 1p7m h LYS 52 Cb 0.09 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.67 1p7m h LYS 52 CO -0.14 0.31 0.36 -0.09 -2.06 0.00 0.00 179.45 177.83 1p7m h ARG 53 N 0.00 0.56 -0.01 3.15 2.43 0.60 2.59 114.38 123.70 1p7m h ARG 53 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1p7m h ARG 53 Cb 0.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1p7m h ARG 53 CO 0.04 0.37 -0.07 0.93 -1.51 0.00 0.00 179.97 179.73 1p7m h GLU 54 N 0.58 0.07 0.18 0.20 5.08 -1.38 -2.64 114.58 116.67 1p7m h GLU 54 Ca 0.39 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.43 1p7m h GLU 54 Cb 0.48 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.76 1p7m h GLU 54 CO -0.32 0.71 -1.17 -2.95 -1.00 0.00 0.00 179.01 174.29 1p7m h ASN 55 N -0.56 0.60 -0.45 1.42 7.08 -1.37 -3.11 115.58 119.21 1p7m h ASN 55 Ca -0.00 -0.93 -0.02 0.00 -3.08 0.00 0.00 56.30 52.26 1p7m h ASN 55 Cb 0.72 -0.20 -0.02 0.00 -2.08 0.00 0.00 38.32 36.75 1p7m h ASN 55 CO 0.01 1.55 0.20 0.22 -2.08 0.00 0.00 177.43 177.34 1p7m h TYR 56 N -0.16 0.66 -0.17 4.14 3.20 0.44 -2.12 116.97 122.96 1p7m h TYR 56 Ca -0.21 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 1p7m h TYR 56 Cb 1.87 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.93 1p7m h TYR 56 CO 0.16 0.55 0.02 0.07 -1.64 0.00 0.00 178.16 177.33 1p7m h ARG 57 N 0.58 0.23 -0.58 1.82 -0.00 -1.40 -1.54 114.38 113.49 1p7m h ARG 57 Ca 0.15 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.98 60.07 1p7m h ARG 57 Cb 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.05 1p7m h ARG 57 CO -0.02 0.23 0.22 0.00 -0.00 0.00 0.00 179.97 180.41 1p7m h ALA 58 N 1.80 0.76 0.11 0.08 0.00 -1.31 0.41 119.26 121.10 1p7m h ALA 58 Ca 0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1p7m h ALA 58 Cb 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1p7m h ALA 58 CO -0.00 0.38 -0.89 0.00 0.00 0.00 0.00 179.25 178.74 1p7m n PHE 60 N -4.06 0.46 -2.92 0.00 3.72 -0.64 -4.66 117.46 109.37 1p7m n PHE 60 Ca -0.13 -0.37 -0.13 0.00 -0.05 0.00 0.00 57.45 56.77 1p7m n PHE 60 Cb 0.83 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.40 1p7m n PHE 60 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1p7m n HIS 61 N 0.87 -1.64 -0.27 1.38 -0.00 0.14 -4.76 115.22 110.95 1p7m n HIS 61 Ca 0.14 -2.82 -0.01 0.00 0.46 0.00 0.00 57.72 55.49 1p7m n HIS 61 Cb 0.46 0.80 0.11 0.00 -0.12 0.00 0.00 29.99 31.24 1p7m n HIS 61 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1p7m h GLN 62 N 3.02 0.82 0.00 1.57 4.20 -1.66 -3.40 115.11 119.65 1p7m h GLN 62 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1p7m h GLN 62 Cb 1.05 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1p7m h GLN 62 CO 0.28 0.54 0.00 1.19 -0.67 0.00 0.00 178.83 180.17 1p7m n PHE 63 N -4.69 -3.05 -3.91 2.96 3.72 -1.26 -5.01 117.46 106.22 1p7m n PHE 63 Ca 0.10 0.60 -0.33 0.00 -0.05 0.00 0.00 57.45 57.76 1p7m n PHE 63 Cb 0.15 1.75 -0.05 0.00 -0.94 0.00 0.00 39.48 40.39 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1p7m s ASP 64 N -1.43 6.37 0.40 4.37 1.11 -1.26 -4.98 116.67 121.24 1p7m s ASP 64 Ca 0.00 0.34 0.28 0.00 0.18 0.00 0.00 52.55 53.36 1p7m s ASP 64 Cb 0.00 -2.00 1.11 0.00 1.07 0.00 0.00 42.92 43.10 1p7m s ASP 64 CO 0.00 0.26 1.83 1.55 1.18 0.00 0.00 175.17 179.99 1p7m h PRO 65 N 3.79 0.00 -0.34 8.23 0.13 -1.96 -2.96 132.00 138.90 1p7m h PRO 65 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1p7m h PRO 65 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1p7m h PRO 65 CO 0.69 0.00 -0.08 0.28 -0.23 0.00 0.00 178.00 178.66 1p7m h VAL 66 N 0.00 1.28 -0.44 1.56 2.07 -1.94 -0.41 116.25 118.37 1p7m h VAL 66 Ca 0.00 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 1p7m h VAL 66 Cb 0.50 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1p7m h VAL 66 CO 0.00 0.37 -0.18 0.11 0.02 0.00 0.00 177.57 177.90 1p7m h LYS 67 N 0.45 0.85 -0.83 1.57 1.57 -1.95 -2.51 116.57 115.71 1p7m h LYS 67 Ca 0.09 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1p7m h LYS 67 Cb 0.59 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1p7m h LYS 67 CO 0.03 0.96 0.44 0.28 -0.57 0.00 0.00 179.45 180.60 1p7m h VAL 68 N 0.75 1.25 0.00 0.50 2.07 -1.35 0.20 116.25 119.67 1p7m h VAL 68 Ca 0.11 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1p7m h VAL 68 Cb 0.70 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1p7m h VAL 68 CO 0.05 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1p7m n ALA 69 N -2.42 1.53 1.02 1.67 0.00 -0.19 -0.80 120.51 121.32 1p7m n ALA 69 Ca 0.09 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1p7m n ALA 69 Cb 0.11 -1.38 0.35 0.00 0.00 0.00 0.00 19.45 18.52 1p7m n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p7m n ALA 70 N -1.79 3.23 -2.50 0.00 0.00 0.68 -4.73 120.51 115.40 1p7m n ALA 70 Ca 0.01 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1p7m n ALA 70 Cb 0.19 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1p7m n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1p7m s MET 71 N -2.96 3.79 0.48 0.00 -1.94 0.02 -5.00 119.30 113.69 1p7m s MET 71 Ca 0.13 0.90 0.03 0.00 -1.71 0.00 0.00 55.69 55.04 1p7m s MET 71 Cb 0.18 -3.90 0.09 0.00 2.01 0.00 0.00 34.83 33.21 1p7m s MET 71 CO 0.65 -1.29 0.66 0.00 -0.01 0.00 0.00 175.02 175.03 1p7m n GLN 72 N 7.62 0.37 0.04 2.03 10.64 -1.26 -4.93 117.38 131.89 1p7m n GLN 72 Ca 0.14 -2.12 0.05 0.00 -1.83 0.00 0.00 57.00 53.24 1p7m n GLN 72 Cb 0.48 -0.34 0.46 0.00 -0.86 0.00 0.00 30.24 29.97 1p7m n GLN 72 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1p7m h GLU 73 N 0.00 0.46 -0.70 2.61 5.08 -1.98 -1.97 114.58 118.08 1p7m h GLU 73 Ca -0.22 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1p7m h GLU 73 Cb 0.90 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1p7m h GLU 73 CO 0.27 0.30 0.44 1.49 -1.00 0.00 0.00 179.01 180.51 1p7m h GLU 74 N 0.47 0.82 -0.60 2.33 4.81 -2.00 -0.85 114.58 119.56 1p7m h GLU 74 Ca 0.13 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1p7m h GLU 74 Cb -0.05 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1p7m h GLU 74 CO -0.03 0.55 0.06 -0.44 -0.73 0.00 0.00 179.01 178.42 1p7m h ASP 75 N 0.85 0.96 -0.62 1.04 3.32 -1.74 -2.85 116.42 117.38 1p7m h ASP 75 Ca 0.28 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1p7m h ASP 75 Cb 0.02 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1p7m h ASP 75 CO -0.11 0.98 0.36 0.58 -1.72 0.00 0.00 179.24 179.33 1p7m h VAL 76 N 0.93 1.02 -0.47 -1.35 2.07 -0.77 0.12 116.25 117.80 1p7m h VAL 76 Ca 0.18 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1p7m h VAL 76 Cb 0.45 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1p7m h VAL 76 CO 0.02 0.13 0.12 1.05 0.02 0.00 0.00 177.57 178.91 1p7m h GLU 77 N 0.69 0.70 -0.25 1.57 4.11 -1.03 -0.33 114.58 120.04 1p7m h GLU 77 Ca 0.26 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 59.48 1p7m h GLU 77 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1p7m h GLU 77 CO -0.14 0.63 -0.19 -0.09 0.07 0.00 0.00 179.01 179.29 1p7m h ARG 78 N 0.69 0.58 -0.12 1.06 2.43 -1.08 -3.24 114.38 114.69 1p7m h ARG 78 Ca 0.16 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1p7m h ARG 78 Cb 0.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1p7m h ARG 78 CO -0.00 0.87 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.81 1p7m h LEU 79 N 0.30 0.29 -0.76 3.80 3.38 -0.38 -2.91 115.31 119.03 1p7m h LEU 79 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p7m h LEU 79 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1p7m h LEU 79 CO 0.05 0.70 0.50 -0.37 0.09 0.00 0.00 178.44 179.42 1p7m h VAL 80 N 0.23 0.00 0.00 1.22 -1.51 -1.09 0.46 116.25 115.55 1p7m h VAL 80 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1p7m h VAL 80 Cb 0.88 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1p7m h VAL 80 CO 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 1p7m n GLN 81 N -2.19 0.58 -2.77 5.19 10.64 -1.12 -4.41 117.38 123.29 1p7m n GLN 81 Ca -0.01 -0.30 -0.43 0.00 -1.83 0.00 0.00 57.00 54.43 1p7m n GLN 81 Cb 0.52 -0.78 -0.04 0.00 -0.86 0.00 0.00 30.24 29.09 1p7m n GLN 81 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1p7m s ASP 82 N -0.17 6.57 0.00 2.61 2.15 0.16 -3.34 116.67 124.65 1p7m s ASP 82 Ca 0.00 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.28 1p7m s ASP 82 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1p7m s ASP 82 CO 0.00 -1.05 0.00 0.00 -0.17 0.00 0.00 175.17 173.95 1p7m n ALA 83 N 7.22 0.00 -2.76 3.66 0.00 -1.26 -3.90 120.51 123.47 1p7m n ALA 83 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1p7m n ALA 83 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1p7m n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p7m n GLY 84 N -2.00 0.27 0.00 0.00 0.00 -1.21 -5.03 105.19 97.22 1p7m n GLY 84 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1p7m n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p7m n ILE 85 N -3.63 0.00 -2.51 -0.61 -5.35 -1.25 -4.90 119.36 101.11 1p7m n ILE 85 Ca -0.02 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.03 1p7m n ILE 85 Cb 0.54 -1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 37.34 1p7m n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p7m s ILE 86 N -0.30 4.38 -0.10 7.28 1.01 -1.26 -4.91 121.20 127.30 1p7m s ILE 86 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 1p7m s ILE 86 Cb 0.00 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1p7m s ILE 86 CO 0.00 -0.27 0.98 -0.13 0.00 0.00 0.00 174.94 175.52 1p7m s ARG 87 N 3.59 4.42 0.00 2.79 0.52 -1.26 -4.82 118.95 124.19 1p7m s ARG 87 Ca 0.51 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 1p7m s ARG 87 Cb -0.18 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1p7m s ARG 87 CO 0.14 -0.29 0.00 0.72 0.02 0.00 0.00 175.30 175.89 1p7m n HIS 88 N 4.93 0.00 -0.44 -0.53 8.25 -1.26 -5.01 115.22 121.17 1p7m n HIS 88 Ca 0.08 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.90 1p7m n HIS 88 Cb 0.49 0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.28 1p7m n HIS 88 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1p7m h ARG 89 N 0.00 0.11 0.67 -0.41 2.43 -1.90 -0.75 114.38 114.52 1p7m h ARG 89 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1p7m h ARG 89 Cb 0.00 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1p7m h ARG 89 CO 0.00 0.07 -0.32 0.78 -1.51 0.00 0.00 179.97 178.99 1p7m h GLY 90 N 0.11 -0.94 1.01 2.80 0.00 -1.99 -1.72 103.07 102.34 1p7m h GLY 90 Ca 0.73 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 48.40 1p7m h GLY 90 CO -0.21 -0.34 0.47 1.70 0.00 0.00 0.00 176.54 178.16 1p7m h LYS 91 N -1.23 1.02 -0.55 4.80 3.64 -1.61 -2.75 116.57 119.90 1p7m h LYS 91 Ca -0.09 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1p7m h LYS 91 Cb 0.69 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1p7m h LYS 91 CO 0.15 0.71 0.25 0.82 -2.27 0.00 0.00 179.45 179.11 1p7m h ILE 92 N 1.03 1.21 -0.39 2.00 1.08 -1.25 -1.96 117.51 119.23 1p7m h ILE 92 Ca 0.27 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 64.21 1p7m h ILE 92 Cb -0.06 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1p7m h ILE 92 CO -0.05 0.24 0.27 0.06 -0.69 0.00 0.00 178.15 177.97 1p7m h GLN 93 N 0.74 0.19 -0.47 2.37 -0.00 -1.02 -0.21 115.11 116.71 1p7m h GLN 93 Ca 0.19 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.70 1p7m h GLN 93 Cb 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.57 1p7m h GLN 93 CO -0.02 0.12 -0.20 0.00 -0.00 0.00 0.00 178.83 178.73 1p7m h ALA 94 N 1.80 0.75 -0.36 0.06 0.00 -1.15 -2.99 119.26 117.37 1p7m h ALA 94 Ca 0.18 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1p7m h ALA 94 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1p7m h ALA 94 CO -0.03 0.66 -0.12 0.82 0.00 0.00 0.00 179.25 180.58 1p7m h ILE 95 N 0.82 1.25 -1.00 0.00 2.04 -0.78 -2.25 117.51 117.59 1p7m h ILE 95 Ca 0.11 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1p7m h ILE 95 Cb 0.76 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1p7m h ILE 95 CO 0.06 0.37 0.65 0.40 0.00 0.00 0.00 178.15 179.63 1p7m h ILE 96 N 0.57 1.13 -0.31 -0.67 1.08 -1.27 0.12 117.51 118.17 1p7m h ILE 96 Ca 0.10 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 1p7m h ILE 96 Cb 0.54 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 1p7m h ILE 96 CO 0.03 0.22 -0.05 1.23 -0.69 0.00 0.00 178.15 178.90 1p7m h GLY 97 N 1.22 0.52 0.41 5.37 0.00 -1.36 -2.22 103.07 107.02 1p7m h GLY 97 Ca 0.41 -0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.55 1p7m h GLY 97 CO -0.15 0.30 0.61 3.43 0.00 0.00 0.00 176.54 180.74 1p7m h ASN 98 N 0.46 0.88 -0.33 0.19 2.35 -0.28 0.70 115.58 119.55 1p7m h ASN 98 Ca 0.10 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1p7m h ASN 98 Cb 0.37 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1p7m h ASN 98 CO 0.02 0.44 0.07 0.00 -1.65 0.00 0.00 177.43 176.31 1p7m h ALA 99 N 1.55 0.43 -0.64 -0.83 0.00 -1.25 -1.64 119.26 116.88 1p7m h ALA 99 Ca 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1p7m h ALA 99 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1p7m h ALA 99 CO -0.29 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.41 1p7m h ARG 100 N 0.37 0.89 -0.06 0.00 3.08 -0.74 -0.43 114.38 117.49 1p7m h ARG 100 Ca 0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1p7m h ARG 100 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1p7m h ARG 100 CO 0.00 0.67 -0.12 0.00 -1.07 0.00 0.00 179.97 179.45 1p7m h ALA 101 N 1.47 1.70 -0.55 0.04 0.00 0.87 -0.11 119.26 122.68 1p7m h ALA 101 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1p7m h ALA 101 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1p7m h ALA 101 CO -0.03 0.23 0.23 -0.92 0.00 0.00 0.00 179.25 178.75 1p7m h TYR 102 N 0.09 0.82 -0.35 0.00 3.20 -0.15 -0.52 116.97 120.06 1p7m h TYR 102 Ca 0.02 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1p7m h TYR 102 Cb 0.26 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1p7m h TYR 102 CO 0.00 0.66 0.02 -0.07 -1.64 0.00 0.00 178.16 177.14 1p7m h LEU 103 N 0.74 0.50 -0.88 2.82 -0.00 -0.91 -2.43 115.31 115.15 1p7m h LEU 103 Ca 0.18 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 1p7m h LEU 103 Cb 0.18 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1p7m h LEU 103 CO -0.02 0.55 0.32 1.56 -0.00 0.00 0.00 178.44 180.86 1p7m h GLN 104 N 0.52 1.14 -0.26 1.13 4.20 0.48 -0.28 115.11 122.04 1p7m h GLN 104 Ca 0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1p7m h GLN 104 Cb 0.30 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1p7m h GLN 104 CO 0.01 0.91 0.08 1.98 -0.67 0.00 0.00 178.83 181.15 1p7m h MET 105 N 1.11 0.40 -0.88 1.46 4.05 -0.82 -2.27 114.93 117.99 1p7m h MET 105 Ca 0.26 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 1p7m h MET 105 Cb 0.19 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 1p7m h MET 105 CO -0.02 0.47 0.58 1.49 0.23 0.00 0.00 176.91 179.65 1p7m h GLU 106 N 0.26 1.11 0.00 0.39 4.81 -1.16 0.80 114.58 120.78 1p7m h GLU 106 Ca 0.08 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1p7m h GLU 106 Cb 0.23 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1p7m h GLU 106 CO -0.00 0.73 -0.00 1.96 -0.73 0.00 0.00 179.01 180.97 1p7m h GLN 107 N 1.14 0.00 0.00 1.92 4.20 -0.52 0.82 115.11 122.67 1p7m h GLN 107 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1p7m h GLN 107 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1p7m h GLN 107 CO -0.09 0.00 -0.72 0.09 -0.67 0.00 0.00 178.83 177.45 1p7m n ASN 108 N -3.75 0.62 -1.33 1.46 3.02 0.25 -4.94 115.26 110.58 1p7m n ASN 108 Ca -0.03 -0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.13 1p7m n ASN 108 Cb 0.08 0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p7m n GLY 109 N 1.44 0.33 3.02 7.41 0.00 0.28 -4.98 105.19 112.69 1p7m n GLY 109 Ca 0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1p7m n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p7m s GLU 110 N -4.15 1.60 0.36 1.61 2.02 -1.13 -5.01 118.70 113.99 1p7m s GLU 110 Ca 0.00 -1.76 -0.26 0.00 0.02 0.00 0.00 54.97 52.98 1p7m s GLU 110 Cb 0.00 -3.12 -0.13 0.00 0.10 0.00 0.00 34.13 30.99 1p7m s GLU 110 CO 0.00 -0.87 0.89 -2.30 0.02 0.00 0.00 175.26 173.00 1p7m n PRO 111 N 4.30 1.13 -0.31 0.39 -0.02 -1.26 -4.72 135.00 134.52 1p7m n PRO 111 Ca 0.00 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 1p7m n PRO 111 Cb 0.42 -1.81 0.17 0.00 -0.02 0.00 0.00 33.50 32.26 1p7m n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1p7m h PHE 112 N 1.54 1.13 0.00 6.00 -1.00 -1.95 -1.87 116.94 120.79 1p7m h PHE 112 Ca -0.41 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.34 1p7m h PHE 112 Cb 1.36 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 1p7m h PHE 112 CO 0.44 0.70 -0.28 0.00 -1.61 0.00 0.00 178.31 177.55 1p7m h ALA 113 N 1.44 1.35 -0.16 2.45 0.00 -1.83 -2.99 119.26 119.52 1p7m h ALA 113 Ca 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1p7m h ALA 113 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1p7m h ALA 113 CO -0.08 0.35 0.01 -0.44 0.00 0.00 0.00 179.25 179.10 1p7m h ASP 114 N 0.00 0.27 0.09 0.00 3.32 -1.68 -2.58 116.42 115.84 1p7m h ASP 114 Ca -0.00 -0.29 -0.22 0.00 0.02 0.00 0.00 57.03 56.54 1p7m h ASP 114 Cb 0.56 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.05 1p7m h ASP 114 CO 0.04 0.50 -0.83 2.19 -1.72 0.00 0.00 179.24 179.41 1p7m h PHE 115 N 0.04 0.83 0.21 4.55 -0.00 -1.56 -2.53 116.94 118.48 1p7m h PHE 115 Ca 0.05 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.97 57.61 1p7m h PHE 115 Cb 0.35 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 36.19 1p7m h PHE 115 CO 0.03 1.20 -0.10 -0.39 -0.00 0.00 0.00 178.31 179.05 1p7m h VAL 116 N 0.38 0.86 -0.08 0.88 -1.51 -1.57 0.11 116.25 115.32 1p7m h VAL 116 Ca -0.06 -0.34 0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1p7m h VAL 116 Cb 1.45 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1p7m h VAL 116 CO 0.16 0.08 0.10 -0.50 -1.23 0.00 0.00 177.57 176.17 1p7m h TRP 117 N -0.45 0.00 -0.00 5.19 4.06 -1.54 -0.54 115.95 122.67 1p7m h TRP 117 Ca -0.03 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.67 1p7m h TRP 117 Cb 0.34 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1p7m h TRP 117 CO -0.01 0.00 -0.99 0.77 -3.56 0.00 0.00 178.44 174.64 1p7m h SER 118 N 0.00 0.74 -0.10 -3.49 0.02 -0.79 3.03 113.55 112.96 1p7m h SER 118 Ca 0.04 -0.59 -0.03 0.00 -0.84 0.00 0.00 61.79 60.37 1p7m h SER 118 Cb 0.23 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1p7m h SER 118 CO -0.00 1.39 -0.02 -0.26 -1.14 0.00 0.00 176.83 176.80 1p7m h PHE 119 N 0.32 0.30 -0.38 3.45 -1.00 0.84 -0.66 116.94 119.82 1p7m h PHE 119 Ca -0.11 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1p7m h PHE 119 Cb 1.64 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 41.10 1p7m h PHE 119 CO 0.08 0.33 0.00 1.55 -1.61 0.00 0.00 178.31 178.67 1p7m n VAL 120 N -4.35 1.66 -2.76 -0.55 3.14 -1.08 -4.68 118.33 109.71 1p7m n VAL 120 Ca -0.00 -0.87 -0.15 0.00 -2.96 0.00 0.00 64.34 60.36 1p7m n VAL 120 Cb 0.20 -0.30 0.02 0.00 -1.06 0.00 0.00 33.84 32.70 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1p7m n ASN 121 N 0.44 -4.71 -3.10 6.55 5.03 -0.25 -2.83 115.26 116.38 1p7m n ASN 121 Ca 0.17 -0.19 -0.16 0.00 0.87 0.00 0.00 54.58 55.28 1p7m n ASN 121 Cb 0.82 -3.59 -0.03 0.00 -1.02 0.00 0.00 39.78 35.95 1p7m n ASN 121 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1p7m n HIS 122 N -4.12 -1.53 -4.20 3.10 -0.00 1.01 -4.86 115.22 104.62 1p7m n HIS 122 Ca -0.08 0.25 -0.17 0.00 -0.00 0.00 0.00 57.72 57.71 1p7m n HIS 122 Cb 0.59 -1.23 -0.11 0.00 -0.00 0.00 0.00 29.99 29.24 1p7m n HIS 122 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1p7m s GLN 123 N -5.42 0.90 0.31 1.57 -2.07 -1.13 -5.04 119.66 108.78 1p7m s GLN 123 Ca 0.30 -1.11 -0.29 0.00 -1.82 0.00 0.00 55.36 52.44 1p7m s GLN 123 Cb -0.18 -0.77 -0.10 0.00 -1.09 0.00 0.00 33.01 30.88 1p7m s GLN 123 CO 0.37 0.15 1.16 -1.25 -1.32 0.00 0.00 175.29 174.40 1p7m s PRO 124 N -2.37 4.50 -0.20 9.60 0.04 -1.26 -4.93 135.00 140.37 1p7m s PRO 124 Ca 0.04 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1p7m s PRO 124 Cb -0.06 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1p7m s PRO 124 CO 0.02 0.04 -0.01 -1.14 0.04 0.00 0.00 177.00 175.95 1p7m s GLN 125 N -1.65 3.57 -0.31 4.56 -0.44 -0.70 -5.00 119.66 119.68 1p7m s GLN 125 Ca 0.47 -0.54 -0.17 0.00 -2.50 0.00 0.00 55.36 52.62 1p7m s GLN 125 Cb -0.34 -3.06 -0.02 0.00 -1.64 0.00 0.00 33.01 27.96 1p7m s GLN 125 CO 0.44 -0.02 0.45 -1.64 0.50 0.00 0.00 175.29 175.01 1p7m s MET 126 N 1.08 3.78 -0.34 1.67 -1.94 -1.26 -0.66 119.30 121.62 1p7m s MET 126 Ca 0.02 -0.09 -0.23 0.00 -1.71 0.00 0.00 55.69 53.68 1p7m s MET 126 Cb -0.14 -3.74 0.01 0.00 2.01 0.00 0.00 34.83 32.96 1p7m s MET 126 CO 0.01 -0.48 0.79 0.99 -0.01 0.00 0.00 175.02 176.32 1p7m s THR 127 N 2.22 4.75 -0.61 2.05 2.01 -0.51 -4.89 115.64 120.66 1p7m s THR 127 Ca 0.17 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.24 1p7m s THR 127 Cb -0.16 -4.19 0.44 0.00 0.01 0.00 0.00 72.50 68.60 1p7m s THR 127 CO 0.11 -0.37 1.17 0.00 -0.69 0.00 0.00 174.62 174.84 1p7m n GLN 128 N 6.36 3.08 -2.07 4.92 6.02 -1.26 -4.10 117.38 130.34 1p7m n GLN 128 Ca 0.03 -1.68 -0.41 0.00 -0.01 0.00 0.00 57.00 54.93 1p7m n GLN 128 Cb 0.48 -1.91 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1p7m n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p7m s ALA 129 N -1.94 3.58 -0.80 -1.58 0.00 -1.26 -4.85 121.76 114.91 1p7m s ALA 129 Ca 0.29 1.28 0.22 0.00 0.00 0.00 0.00 51.96 53.75 1p7m s ALA 129 Cb 0.22 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1p7m s ALA 129 CO 0.09 -0.69 0.96 0.25 0.00 0.00 0.00 175.76 176.36 1p7m n THR 130 N 2.03 0.04 -4.13 0.00 -2.24 -1.26 -3.01 114.28 105.72 1p7m n THR 130 Ca 0.05 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1p7m n THR 130 Cb 0.41 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 1p7m n THR 130 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p7m s THR 131 N -3.11 0.14 0.37 4.28 -4.23 -1.26 -4.93 115.64 106.90 1p7m s THR 131 Ca 0.06 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1p7m s THR 131 Cb 0.16 -1.87 0.20 0.00 1.34 0.00 0.00 72.50 72.32 1p7m s THR 131 CO 0.83 -0.64 1.95 -0.07 -0.54 0.00 0.00 174.62 176.15 1p7m h LEU 132 N 2.96 0.48 -1.01 4.79 3.38 -1.92 -1.34 115.31 122.64 1p7m h LEU 132 Ca -0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1p7m h LEU 132 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1p7m h LEU 132 CO 0.61 0.47 0.00 0.77 0.09 0.00 0.00 178.44 180.39 1p7m h SER 133 N 0.52 0.00 -0.06 -0.43 4.64 -1.99 -2.62 113.55 113.61 1p7m h SER 133 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1p7m h SER 133 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1p7m h SER 133 CO -0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 1p7m n GLU 134 N -3.02 1.31 -3.44 4.77 -0.58 -0.51 -4.81 120.64 114.37 1p7m n GLU 134 Ca 0.02 -0.46 -0.38 0.00 -0.42 0.00 0.00 57.16 55.91 1p7m n GLU 134 Cb 0.36 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.82 1p7m n GLU 134 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1p7m s ILE 135 N -1.92 4.99 0.22 -3.67 1.01 -0.99 -4.60 121.20 116.24 1p7m s ILE 135 Ca 0.31 0.93 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1p7m s ILE 135 Cb 0.15 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1p7m s ILE 135 CO 0.24 0.55 1.27 -2.16 0.00 0.00 0.00 174.94 174.84 1p7m s PRO 136 N -0.89 4.43 0.00 2.79 0.04 -1.26 -4.93 135.00 135.18 1p7m s PRO 136 Ca 0.25 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.41 1p7m s PRO 136 Cb -0.17 -3.18 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1p7m s PRO 136 CO 0.14 -0.17 0.90 0.25 0.04 0.00 0.00 177.00 178.17 1p7m n THR 137 N 2.19 0.19 -3.37 1.26 -2.24 -1.26 -4.81 114.28 106.25 1p7m n THR 137 Ca 0.04 -0.60 -0.18 0.00 -2.27 0.00 0.00 64.05 61.04 1p7m n THR 137 Cb 0.43 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 1p7m n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1p7m s SER 138 N -0.88 1.31 0.20 3.42 0.01 -1.26 -4.54 113.70 111.96 1p7m s SER 138 Ca 0.14 -1.66 0.07 0.00 1.31 0.00 0.00 55.95 55.81 1p7m s SER 138 Cb 0.09 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 1p7m s SER 138 CO 0.13 -0.26 0.05 0.42 0.41 0.00 0.00 173.24 173.99 1p7m s THR 139 N 1.37 3.90 0.35 1.44 -4.23 -1.26 -4.93 115.64 112.27 1p7m s THR 139 Ca 0.17 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1p7m s THR 139 Cb -0.16 -3.02 0.31 0.00 1.34 0.00 0.00 72.50 70.98 1p7m s THR 139 CO -0.02 -0.21 1.87 1.55 -0.54 0.00 0.00 174.62 177.28 1p7m h PRO 140 N 2.29 0.72 -0.19 3.99 0.13 -1.99 0.69 132.00 137.64 1p7m h PRO 140 Ca -0.47 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1p7m h PRO 140 Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1p7m h PRO 140 CO 0.60 0.48 -0.52 0.00 -0.23 0.00 0.00 178.00 178.33 1p7m h ALA 141 N 1.59 0.32 -0.39 -0.56 0.00 -1.95 -0.04 119.26 118.24 1p7m h ALA 141 Ca 0.44 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1p7m h ALA 141 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1p7m h ALA 141 CO -0.20 0.51 -0.15 0.66 0.00 0.00 0.00 179.25 180.07 1p7m h SER 142 N 0.39 0.80 -0.49 0.00 4.64 -1.48 0.65 113.55 118.06 1p7m h SER 142 Ca -0.01 -0.39 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 1p7m h SER 142 Cb 1.13 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1p7m h SER 142 CO 0.11 1.01 0.03 -0.78 -0.87 0.00 0.00 176.83 176.33 1p7m h ASP 143 N 0.59 0.82 0.10 4.97 1.82 0.34 -2.39 116.42 122.67 1p7m h ASP 143 Ca 0.09 -0.29 -0.08 0.00 -0.39 0.00 0.00 57.03 56.36 1p7m h ASP 143 Cb 0.69 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1p7m h ASP 143 CO 0.05 0.91 -0.27 0.00 -1.61 0.00 0.00 179.24 178.33 1p7m h ALA 144 N 0.94 1.27 -0.38 -0.78 0.00 -0.87 -2.71 119.26 116.73 1p7m h ALA 144 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p7m h ALA 144 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1p7m h ALA 144 CO 0.02 0.49 0.23 1.25 0.00 0.00 0.00 179.25 181.24 1p7m h LEU 145 N 0.25 0.45 -0.38 0.00 5.85 -0.38 -0.43 115.31 120.67 1p7m h LEU 145 Ca 0.04 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1p7m h LEU 145 Cb 0.61 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1p7m h LEU 145 CO 0.04 0.36 0.20 -1.28 -0.34 0.00 0.00 178.44 177.42 1p7m h SER 146 N 0.50 0.30 -0.52 1.25 0.87 -1.14 0.34 113.55 115.15 1p7m h SER 146 Ca 0.14 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1p7m h SER 146 Cb -0.01 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1p7m h SER 146 CO -0.03 0.22 0.32 0.50 -0.53 0.00 0.00 176.83 177.31 1p7m h LYS 147 N 0.40 0.70 -0.29 2.24 3.64 -1.23 0.39 116.57 122.42 1p7m h LYS 147 Ca 0.16 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1p7m h LYS 147 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1p7m h LYS 147 CO -0.10 0.50 -0.06 0.00 -2.27 0.00 0.00 179.45 177.52 1p7m h ALA 148 N 1.16 0.39 -0.42 5.00 0.00 -0.57 -2.68 119.26 122.14 1p7m h ALA 148 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1p7m h ALA 148 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1p7m h ALA 148 CO -0.04 0.20 -0.04 -0.07 0.00 0.00 0.00 179.25 179.30 1p7m h LEU 149 N 0.31 0.68 -1.03 0.00 3.38 -0.06 -2.54 115.31 116.06 1p7m h LEU 149 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1p7m h LEU 149 Cb 0.53 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1p7m h LEU 149 CO 0.03 0.78 0.57 0.50 0.09 0.00 0.00 178.44 180.40 1p7m h LYS 150 N 0.66 1.23 -0.45 1.13 3.64 -0.05 -1.32 116.57 121.41 1p7m h LYS 150 Ca 0.13 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1p7m h LYS 150 Cb 0.47 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1p7m h LYS 150 CO 0.02 0.85 -0.00 0.87 -2.27 0.00 0.00 179.45 178.92 1p7m h LYS 151 N 1.26 0.74 0.00 1.90 1.79 -1.13 -1.46 116.57 119.67 1p7m h LYS 151 Ca 0.33 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1p7m h LYS 151 Cb -0.08 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 1p7m h LYS 151 CO -0.06 0.75 0.00 0.54 -1.08 0.00 0.00 179.45 179.60 1p7m n ARG 152 N -4.23 0.49 -1.55 3.15 1.74 -0.76 -4.74 116.66 110.77 1p7m n ARG 152 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1p7m n ARG 152 Cb 0.29 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p7m n GLY 153 N -0.01 0.41 3.50 -0.13 0.00 -0.55 -4.36 105.19 104.06 1p7m n GLY 153 Ca 0.05 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1p7m n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p7m s PHE 154 N -2.09 3.19 0.61 1.61 0.08 -0.57 -4.48 117.98 116.33 1p7m s PHE 154 Ca 0.00 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1p7m s PHE 154 Cb 0.00 -2.81 0.09 0.00 -0.57 0.00 0.00 43.02 39.73 1p7m s PHE 154 CO 0.00 -0.60 0.85 0.15 -0.10 0.00 0.00 175.22 175.51 1p7m s LYS 155 N 2.09 2.13 -1.29 0.44 1.02 -1.26 -3.96 119.74 118.90 1p7m s LYS 155 Ca 0.12 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 1p7m s LYS 155 Cb -0.17 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1p7m s LYS 155 CO 0.13 -1.02 0.95 1.19 -0.92 0.00 0.00 175.35 175.67 1p7m n PHE 156 N -2.45 -2.25 -2.16 3.18 3.72 -1.26 -4.90 117.46 111.34 1p7m n PHE 156 Ca 0.14 0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 58.37 1p7m n PHE 156 Cb 0.61 -4.77 0.07 0.00 -0.94 0.00 0.00 39.48 34.44 1p7m n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1p7m n VAL 157 N -4.39 1.91 -0.75 -4.37 0.24 -1.26 -4.34 118.33 105.37 1p7m n VAL 157 Ca -0.20 -3.38 -0.32 0.00 -2.04 0.00 0.00 64.34 58.40 1p7m n VAL 157 Cb 0.64 -0.18 0.12 0.00 -1.47 0.00 0.00 33.84 32.95 1p7m n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p7m n GLY 158 N -0.65 -2.61 0.27 7.63 0.00 -1.26 -4.28 105.19 104.28 1p7m n GLY 158 Ca 0.26 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1p7m n GLY 158 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1p7m h THR 159 N -1.83 0.84 -0.54 2.61 1.35 -1.92 0.32 112.91 113.73 1p7m h THR 159 Ca -0.44 -0.12 -0.08 0.00 -0.55 0.00 0.00 66.41 65.22 1p7m h THR 159 Cb 1.26 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 1p7m h THR 159 CO 0.29 0.03 0.01 0.74 -0.25 0.00 0.00 175.52 176.34 1p7m h THR 160 N 0.00 1.25 -0.25 6.82 2.02 -1.86 0.26 112.91 121.16 1p7m h THR 160 Ca -0.00 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 1p7m h THR 160 Cb 0.07 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1p7m h THR 160 CO 0.00 0.38 -0.17 0.40 0.37 0.00 0.00 175.52 176.51 1p7m h ILE 161 N 0.86 1.31 -0.57 3.11 1.08 -1.24 0.08 117.51 122.13 1p7m h ILE 161 Ca 0.16 -1.28 -0.04 0.00 -0.39 0.00 0.00 64.86 63.31 1p7m h ILE 161 Cb 0.49 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1p7m h ILE 161 CO 0.02 0.40 0.20 0.00 -0.69 0.00 0.00 178.15 178.08 1p7m h TYR 163 N 0.79 1.04 -0.78 0.00 3.20 -0.43 -2.83 116.97 117.96 1p7m h TYR 163 Ca 0.19 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1p7m h TYR 163 Cb 0.25 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1p7m h TYR 163 CO 0.01 1.06 0.30 0.66 -1.64 0.00 0.00 178.16 178.56 1p7m h SER 164 N 0.72 1.09 -0.63 -2.11 4.64 -0.77 -2.14 113.55 114.35 1p7m h SER 164 Ca 0.09 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1p7m h SER 164 Cb 0.81 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 1p7m h SER 164 CO 0.07 0.97 0.41 0.15 -0.87 0.00 0.00 176.83 177.55 1p7m h PHE 165 N 1.14 0.77 -0.77 4.77 3.57 -1.16 -1.85 116.94 123.40 1p7m h PHE 165 Ca 0.26 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1p7m h PHE 165 Cb 0.23 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1p7m h PHE 165 CO 0.02 0.46 0.37 0.52 -2.23 0.00 0.00 178.31 177.45 1p7m h MET 166 N 0.81 1.10 -0.50 1.11 2.86 -1.22 0.43 114.93 119.53 1p7m h MET 166 Ca 0.24 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1p7m h MET 166 Cb -0.04 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1p7m h MET 166 CO -0.08 0.85 0.00 0.37 1.06 0.00 0.00 176.91 179.12 1p7m h GLN 167 N 1.09 0.88 -0.41 1.72 5.75 -0.73 -3.14 115.11 120.28 1p7m h GLN 167 Ca 0.27 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1p7m h GLN 167 Cb 0.12 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1p7m h GLN 167 CO -0.03 0.92 0.00 0.00 -2.65 0.00 0.00 178.83 177.06 1p7m n ALA 168 N -2.44 2.40 0.71 3.38 0.00 -0.77 -3.84 120.51 119.95 1p7m n ALA 168 Ca 0.01 -1.03 0.11 0.00 0.00 0.00 0.00 53.44 52.53 1p7m n ALA 168 Cb 0.32 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1p7m n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p7m n GLY 170 N 1.42 0.23 0.27 0.00 0.00 -1.23 -3.93 105.19 101.95 1p7m n GLY 170 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1p7m n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p7m h LEU 171 N 0.00 0.40 -8.22 0.99 4.07 -1.83 -3.42 115.31 107.29 1p7m h LEU 171 Ca 0.00 -0.06 -0.51 0.00 0.08 0.00 0.00 57.88 57.39 1p7m h LEU 171 Cb 0.00 -0.10 -0.30 0.00 1.08 0.00 0.00 40.66 41.34 1p7m h LEU 171 CO 0.00 0.44 -0.82 0.68 -1.08 0.00 0.00 178.44 177.66 1p7m s VAL 172 N -5.04 1.23 0.33 1.22 -7.23 -1.20 -1.71 120.40 107.99 1p7m s VAL 172 Ca -0.07 -0.65 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 1p7m s VAL 172 Cb 0.16 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 1p7m s VAL 172 CO 0.74 0.35 0.07 0.20 -0.31 0.00 0.00 175.10 176.16 1p7m s ASN 173 N -0.23 4.50 0.00 4.85 0.02 0.17 -4.83 114.94 119.41 1p7m s ASN 173 Ca 0.03 -0.82 0.00 0.00 -1.02 0.00 0.00 52.86 51.06 1p7m s ASN 173 Cb -0.07 -0.69 0.00 0.00 0.02 0.00 0.00 41.25 40.51 1p7m s ASN 173 CO 0.00 -0.22 0.00 0.47 0.02 0.00 0.00 177.10 177.37 1p7m n ASP 174 N -1.04 -0.76 -0.32 -1.22 8.00 -1.26 -1.42 116.55 118.53 1p7m n ASP 174 Ca -0.04 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.57 1p7m n ASP 174 Cb 0.61 -0.38 0.33 0.00 -0.02 0.00 0.00 41.12 41.66 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1p7m h HIS 175 N 0.00 0.97 0.00 1.24 3.86 -1.92 -3.33 115.15 115.97 1p7m h HIS 175 Ca 0.00 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.02 1p7m h HIS 175 Cb 0.09 -0.30 -0.14 0.00 1.06 0.00 0.00 27.41 28.12 1p7m h HIS 175 CO 0.00 0.33 -0.33 1.55 0.86 0.00 0.00 177.93 180.33 1p7m n VAL 176 N -4.62 0.00 -2.97 2.45 3.14 -1.26 -4.82 118.33 110.24 1p7m n VAL 176 Ca 0.19 -1.39 -0.05 0.00 -2.96 0.00 0.00 64.34 60.13 1p7m n VAL 176 Cb 0.47 1.24 0.00 0.00 -1.06 0.00 0.00 33.84 34.49 1p7m n VAL 176 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1p7m n VAL 177 N -0.02 -0.54 0.00 1.55 3.14 -1.16 -4.32 118.33 116.98 1p7m n VAL 177 Ca 0.00 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1p7m n VAL 177 Cb 0.76 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1p7m n VAL 177 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p7m n GLY 178 N -0.80 0.00 3.78 7.55 0.00 -1.26 -5.00 105.19 109.46 1p7m n GLY 178 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1p7m n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7m s TYR 182 N -5.95 3.27 0.30 0.00 5.04 -0.23 -5.07 117.35 114.71 1p7m s TYR 182 Ca -0.12 -1.03 -0.28 0.00 -2.44 0.00 0.00 57.07 53.20 1p7m s TYR 182 Cb 0.19 -2.88 -0.09 0.00 0.35 0.00 0.00 41.96 39.52 1p7m s TYR 182 CO 0.80 -0.75 1.09 -1.25 -1.34 0.00 0.00 175.55 174.10 1p7m s PRO 183 N 1.58 4.54 0.00 4.97 0.04 -1.26 -3.87 135.00 141.00 1p7m s PRO 183 Ca 0.03 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1p7m s PRO 183 Cb -0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1p7m s PRO 183 CO 0.06 0.14 0.74 0.41 0.04 0.00 0.00 177.00 178.39 1p7m n GLY 184 N 1.03 -0.55 2.04 0.56 0.00 -1.26 -4.76 105.19 102.25 1p7m n GLY 184 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1p7m n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p7m n ASN 185 N -0.43 -2.71 -4.91 1.61 2.85 -1.26 -5.04 115.26 105.37 1p7m n ASN 185 Ca 0.00 0.03 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 1p7m n ASN 185 Cb 0.02 -0.82 -0.04 0.00 1.24 0.00 0.00 39.78 40.18 1p7m n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1p7m s LYS 186 N -2.63 3.55 0.00 1.20 3.01 -1.26 -5.35 119.74 118.25 1p7m s LYS 186 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1p7m s LYS 186 Cb 0.00 -2.89 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 1p7m s LYS 186 CO 0.00 0.47 0.05 -2.30 0.51 0.00 0.00 175.35 174.09