#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 3.52 0.95 2.12 2.56 -1.22 -4.68 118.70 121.96 1p7m s GLU 2 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.97 54.69 1p7m s GLU 2 Cb 0.00 -3.20 0.16 0.00 2.00 0.00 0.00 34.13 33.09 1p7m s GLU 2 CO 0.00 0.70 1.09 1.03 -0.56 0.00 0.00 175.26 177.52 1p7m s ARG 3 N -0.82 0.78 0.48 4.30 0.52 -1.26 0.20 118.95 123.15 1p7m s ARG 3 Ca 0.14 0.91 -0.23 0.00 -0.52 0.00 0.00 55.73 56.03 1p7m s ARG 3 Cb -0.12 -1.75 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 1p7m s ARG 3 CO 0.03 -2.59 1.23 0.00 0.02 0.00 0.00 175.30 173.99 1p7m h GLY 5 N 1.98 -0.08 0.08 0.00 0.00 -1.98 -0.70 103.07 102.36 1p7m h GLY 5 Ca -0.50 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1p7m h GLY 5 CO 0.60 -0.15 0.00 -2.67 0.00 0.00 0.00 176.54 174.32 1p7m n TRP 6 N -5.29 0.06 -0.01 5.60 2.14 -1.26 -3.74 117.44 114.94 1p7m n TRP 6 Ca -0.03 -0.03 -0.16 0.00 2.07 0.00 0.00 57.50 59.34 1p7m n TRP 6 Cb 0.21 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.59 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1p7m h VAL 7 N 1.01 1.53 0.00 -1.67 2.07 -1.47 -3.04 116.25 114.67 1p7m h VAL 7 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1p7m h VAL 7 Cb 0.22 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1p7m h VAL 7 CO 0.00 0.59 0.00 -1.20 0.02 0.00 0.00 177.57 176.98 1p7m n SER 8 N -4.38 0.00 -0.14 0.57 7.64 -1.16 -3.13 113.62 113.01 1p7m n SER 8 Ca -0.11 -0.42 -0.11 0.00 1.01 0.00 0.00 58.87 59.24 1p7m n SER 8 Cb 0.60 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1p7m n SER 8 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1p7m h GLN 9 N 0.00 0.85 -3.33 1.43 4.15 -1.67 -3.46 115.11 113.08 1p7m h GLN 9 Ca 0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 58.65 59.03 1p7m h GLN 9 Cb 0.07 -0.04 -0.13 0.00 0.21 0.00 0.00 27.48 27.59 1p7m h GLN 9 CO 0.00 0.98 -0.03 -0.51 -1.93 0.00 0.00 178.83 177.34 1p7m s ASP 10 N -6.51 -0.29 0.18 -0.69 1.11 -1.19 -5.06 116.67 104.23 1p7m s ASP 10 Ca -0.12 -0.26 -0.07 0.00 0.18 0.00 0.00 52.55 52.28 1p7m s ASP 10 Cb 0.11 0.49 0.08 0.00 1.07 0.00 0.00 42.92 44.67 1p7m s ASP 10 CO 0.84 -0.87 1.56 1.55 1.18 0.00 0.00 175.17 179.43 1p7m h PRO 11 N 2.32 0.84 -0.26 8.23 0.13 -1.90 -3.05 132.00 138.31 1p7m h PRO 11 Ca -0.34 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 1p7m h PRO 11 Cb 1.26 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1p7m h PRO 11 CO 0.45 1.02 0.08 -0.07 -0.23 0.00 0.00 178.00 179.26 1p7m h LEU 12 N 0.71 0.33 -0.67 1.56 3.38 -1.97 -2.41 115.31 116.24 1p7m h LEU 12 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1p7m h LEU 12 Cb 0.86 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1p7m h LEU 12 CO 0.08 0.33 0.29 1.88 0.09 0.00 0.00 178.44 181.10 1p7m h TYR 13 N 0.36 1.00 -0.87 1.13 0.05 -1.84 -2.63 116.97 114.18 1p7m h TYR 13 Ca 0.09 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1p7m h TYR 13 Cb 0.12 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 1p7m h TYR 13 CO 0.00 0.77 0.57 0.82 -1.05 0.00 0.00 178.16 179.27 1p7m h ILE 14 N 0.94 1.11 0.04 -2.88 2.04 -1.49 0.15 117.51 117.42 1p7m h ILE 14 Ca 0.23 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1p7m h ILE 14 Cb 0.18 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1p7m h ILE 14 CO -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1p7m h ALA 15 N 1.51 -0.06 -0.69 1.87 0.00 -1.47 -2.78 119.26 117.65 1p7m h ALA 15 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1p7m h ALA 15 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1p7m h ALA 15 CO -0.12 -0.34 0.40 -0.92 0.00 0.00 0.00 179.25 178.27 1p7m h TYR 16 N -0.43 0.91 -0.71 0.00 3.20 -1.15 -1.85 116.97 116.94 1p7m h TYR 16 Ca -0.01 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1p7m h TYR 16 Cb 0.39 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1p7m h TYR 16 CO 0.05 0.61 0.46 1.25 -1.64 0.00 0.00 178.16 178.89 1p7m h HIS 17 N 0.95 0.86 0.00 -3.82 2.76 -0.61 -1.89 115.15 113.40 1p7m h HIS 17 Ca 0.25 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1p7m h HIS 17 Cb -0.02 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.66 1p7m h HIS 17 CO 0.00 0.51 -0.03 -0.44 -1.30 0.00 0.00 177.93 176.68 1p7m h ASP 18 N 0.91 0.00 0.31 3.26 3.32 -1.16 -3.18 116.42 119.87 1p7m h ASP 18 Ca 0.28 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1p7m h ASP 18 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1p7m h ASP 18 CO -0.09 0.00 -0.15 0.78 -1.72 0.00 0.00 179.24 178.06 1p7m h ASN 19 N 0.00 -0.35 0.00 6.45 2.35 -0.52 -3.44 115.58 120.07 1p7m h ASN 19 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1p7m h ASN 19 Cb 0.80 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1p7m h ASN 19 CO 0.00 -0.07 0.00 -1.84 -1.65 0.00 0.00 177.43 173.87 1p7m n GLU 20 N -5.17 0.00 -2.63 0.81 0.28 -1.20 -5.03 120.64 107.69 1p7m n GLU 20 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 1p7m n GLU 20 Cb 0.24 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.13 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 2.59 0.00 -1.84 -0.00 -1.20 -4.58 117.44 112.41 1p7m n TRP 21 Ca 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 57.50 54.88 1p7m n TRP 21 Cb 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 31.31 29.94 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 0.86 0.67 0.00 5.87 0.00 -0.93 -4.81 105.19 106.86 1p7m n GLY 22 Ca 0.42 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1p7m n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p7m n VAL 23 N 0.00 0.00 -3.68 1.61 0.24 -1.26 -4.90 118.33 110.34 1p7m n VAL 23 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1p7m n VAL 23 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1p7m s PRO 24 N -1.00 3.57 0.79 7.34 0.04 -1.26 -5.03 135.00 139.45 1p7m s PRO 24 Ca 0.00 -0.21 -0.10 0.00 0.04 0.00 0.00 61.00 60.73 1p7m s PRO 24 Cb 0.00 -2.85 0.07 0.00 0.04 0.00 0.00 34.50 31.76 1p7m s PRO 24 CO 0.00 0.44 1.10 -2.00 0.04 0.00 0.00 177.00 176.57 1p7m s GLU 25 N -2.96 2.10 0.20 4.56 2.12 -1.26 -4.02 118.70 119.44 1p7m s GLU 25 Ca 0.40 1.19 -0.04 0.00 0.36 0.00 0.00 54.97 56.89 1p7m s GLU 25 Cb -0.12 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 1p7m s GLU 25 CO 0.27 -1.76 0.43 0.95 -0.54 0.00 0.00 175.26 174.61 1p7m s THR 26 N -2.88 5.14 0.10 -1.70 -4.23 -1.26 -4.92 115.64 105.89 1p7m s THR 26 Ca 0.62 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 1p7m s THR 26 Cb -0.18 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1p7m s THR 26 CO 0.56 -0.11 0.14 -0.62 -0.54 0.00 0.00 174.62 174.05 1p7m s ASP 27 N -2.83 5.81 0.31 3.99 2.15 -1.26 -4.99 116.67 119.85 1p7m s ASP 27 Ca 0.41 0.05 0.01 0.00 0.43 0.00 0.00 52.55 53.45 1p7m s ASP 27 Cb -0.11 -1.63 0.51 0.00 -0.30 0.00 0.00 42.92 41.38 1p7m s ASP 27 CO 0.27 0.14 1.89 0.28 -0.17 0.00 0.00 175.17 177.58 1p7m h SER 28 N 2.96 0.70 0.01 -0.34 0.02 -1.96 -0.63 113.55 114.30 1p7m h SER 28 Ca -0.47 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1p7m h SER 28 Cb 1.17 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1p7m h SER 28 CO 0.68 0.65 -0.00 0.11 -1.14 0.00 0.00 176.83 177.13 1p7m h LYS 29 N 0.75 -0.01 0.00 3.45 1.57 -2.01 -3.17 116.57 117.15 1p7m h LYS 29 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1p7m h LYS 29 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1p7m h LYS 29 CO -0.01 0.71 -0.07 1.57 -0.57 0.00 0.00 179.45 181.08 1p7m h LYS 30 N -0.76 0.00 -0.97 3.15 2.10 -1.95 -0.68 116.57 117.46 1p7m h LYS 30 Ca -0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1p7m h LYS 30 Cb 0.73 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.00 1p7m h LYS 30 CO 0.00 0.07 0.63 1.25 -2.00 0.00 0.00 179.45 179.40 1p7m h LEU 31 N 0.00 1.00 -0.23 7.07 5.85 -1.08 0.83 115.31 128.75 1p7m h LEU 31 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1p7m h LEU 31 Cb 0.19 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1p7m h LEU 31 CO 0.01 0.65 -0.18 0.15 -0.34 0.00 0.00 178.44 178.72 1p7m h PHE 32 N 1.14 0.63 0.00 1.25 3.57 -1.17 -2.72 116.94 119.63 1p7m h PHE 32 Ca 0.41 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1p7m h PHE 32 Cb 0.15 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1p7m h PHE 32 CO -0.00 0.85 -0.36 1.05 -2.23 0.00 0.00 178.31 177.62 1p7m h GLU 33 N 0.23 0.00 0.09 1.11 4.11 -1.22 -2.66 114.58 116.24 1p7m h GLU 33 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1p7m h GLU 33 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1p7m h GLU 33 CO 0.05 0.36 -0.04 1.98 0.07 0.00 0.00 179.01 181.42 1p7m h MET 34 N 0.00 -0.12 0.00 1.06 4.05 -0.78 -2.86 114.93 116.28 1p7m h MET 34 Ca -0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1p7m h MET 34 Cb 0.70 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1p7m h MET 34 CO 0.05 0.38 -0.05 0.97 0.23 0.00 0.00 176.91 178.48 1p7m h ILE 35 N -0.69 0.94 -0.41 1.77 6.09 -1.48 -0.46 117.51 123.26 1p7m h ILE 35 Ca -0.01 -0.18 -0.05 0.00 -1.37 0.00 0.00 64.86 63.26 1p7m h ILE 35 Cb 0.55 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.92 1p7m h ILE 35 CO 0.02 0.05 0.08 0.00 -3.07 0.00 0.00 178.15 175.23 1p7m h LEU 37 N 0.53 0.64 -1.41 0.00 -0.00 -1.11 -3.00 115.31 110.97 1p7m h LEU 37 Ca 0.13 -0.52 -0.03 0.00 -0.00 0.00 0.00 57.88 57.46 1p7m h LEU 37 Cb 0.35 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1p7m h LEU 37 CO 0.01 1.03 0.04 -0.33 -0.00 0.00 0.00 178.44 179.19 1p7m h GLU 38 N 0.27 0.43 -0.67 1.13 4.39 -0.98 -2.13 114.58 117.01 1p7m h GLU 38 Ca 0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1p7m h GLU 38 Cb 0.89 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 1p7m h GLU 38 CO 0.07 0.43 0.44 0.78 -1.16 0.00 0.00 179.01 179.57 1p7m h GLY 39 N 0.70 0.92 1.36 -3.84 0.00 -0.36 0.94 103.07 102.79 1p7m h GLY 39 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1p7m h GLY 39 CO 0.00 0.29 0.00 -1.06 0.00 0.00 0.00 176.54 175.77 1p7m n GLN 40 N -4.45 0.53 0.00 4.80 6.02 -0.81 -2.93 117.38 120.54 1p7m n GLN 40 Ca 0.08 0.03 0.15 0.00 -0.01 0.00 0.00 57.00 57.25 1p7m n GLN 40 Cb 0.11 -1.50 0.89 0.00 1.02 0.00 0.00 30.24 30.76 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 -1.18 0.90 -1.98 -1.09 10.64 0.32 -4.48 117.38 120.51 1p7m n GLN 41 Ca 0.15 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.90 1p7m n GLN 41 Cb 0.16 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 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 -2.07 3.64 0.00 2.61 0.00 -1.15 -2.84 121.76 121.95 1p7m s ALA 42 Ca 0.44 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1p7m s ALA 42 Cb 0.21 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1p7m s ALA 42 CO 0.37 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1p7m n GLY 43 N 4.04 1.45 3.91 0.00 0.00 -1.26 -4.92 105.19 108.42 1p7m n GLY 43 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 4.33 0.77 0.99 2.01 -1.13 -5.07 118.68 120.57 1p7m s LEU 44 Ca 0.00 0.38 -0.13 0.00 0.01 0.00 0.00 54.13 54.39 1p7m s LEU 44 Cb 0.00 -3.08 0.06 0.00 0.01 0.00 0.00 46.19 43.18 1p7m s LEU 44 CO 0.00 0.13 1.14 -0.94 1.01 0.00 0.00 176.35 177.69 1p7m s SER 45 N -2.49 4.18 0.47 2.29 1.04 -1.26 -4.63 113.70 113.29 1p7m s SER 45 Ca 0.37 2.09 0.13 0.00 0.48 0.00 0.00 55.95 59.02 1p7m s SER 45 Cb -0.13 -2.56 1.07 0.00 0.10 0.00 0.00 66.02 64.50 1p7m s SER 45 CO 0.27 -2.26 2.07 -0.25 0.98 0.00 0.00 173.24 174.05 1p7m h TRP 46 N -0.82 0.14 -0.68 5.02 2.91 -1.96 -1.92 115.95 118.64 1p7m h TRP 46 Ca -0.45 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.51 1p7m h TRP 46 Cb 1.26 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.84 1p7m h TRP 46 CO 0.52 0.15 0.19 0.82 -1.03 0.00 0.00 178.44 179.09 1p7m h ILE 47 N 0.14 1.26 -0.93 2.65 1.08 -2.00 -2.13 117.51 117.57 1p7m h ILE 47 Ca 0.03 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.65 1p7m h ILE 47 Cb 0.10 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 1p7m h ILE 47 CO 0.00 0.35 0.60 0.74 -0.69 0.00 0.00 178.15 179.16 1p7m h THR 48 N 1.00 1.07 -0.45 -0.27 2.02 -1.70 0.12 112.91 114.70 1p7m h THR 48 Ca 0.22 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1p7m h THR 48 Cb 0.34 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1p7m h THR 48 CO -0.00 0.19 0.05 0.58 0.37 0.00 0.00 175.52 176.71 1p7m h VAL 49 N 1.06 1.22 -0.40 3.16 2.07 -1.32 -2.17 116.25 119.88 1p7m h VAL 49 Ca 0.40 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1p7m h VAL 49 Cb 0.19 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1p7m h VAL 49 CO -0.15 0.30 0.13 0.25 0.02 0.00 0.00 177.57 178.12 1p7m h LEU 50 N 0.67 0.12 -1.38 2.57 5.85 -0.21 1.46 115.31 124.40 1p7m h LEU 50 Ca 0.14 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1p7m h LEU 50 Cb 0.34 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1p7m h LEU 50 CO 0.01 0.10 0.09 0.11 -0.34 0.00 0.00 178.44 178.41 1p7m h LYS 51 N 0.28 0.50 0.00 1.25 6.56 -1.13 0.21 116.57 124.24 1p7m h LYS 51 Ca 0.18 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1p7m h LYS 51 Cb 0.18 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1p7m h LYS 51 CO -0.20 0.46 -0.24 1.63 -2.06 0.00 0.00 179.45 179.04 1p7m n LYS 52 N -4.35 0.04 0.04 3.15 4.01 0.05 -2.81 118.16 118.28 1p7m n LYS 52 Ca 0.02 0.02 -0.13 0.00 -0.51 0.00 0.00 58.31 57.71 1p7m n LYS 52 Cb 0.18 -1.53 -0.09 0.00 -0.51 0.00 0.00 35.03 33.08 1p7m n LYS 52 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1p7m h ARG 53 N 0.00 -0.10 -0.25 1.97 2.43 0.41 1.06 114.38 119.89 1p7m h ARG 53 Ca 0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1p7m h ARG 53 Cb 0.53 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1p7m h ARG 53 CO 0.00 0.23 -0.41 0.93 -1.51 0.00 0.00 179.97 179.21 1p7m h GLU 54 N -0.44 0.59 -0.12 0.20 5.08 -1.60 -2.96 114.58 115.32 1p7m h GLU 54 Ca -0.01 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 57.88 1p7m h GLU 54 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p7m h GLU 54 CO 0.02 0.89 -0.62 -2.95 -1.00 0.00 0.00 179.01 175.35 1p7m h ASN 55 N 0.48 0.48 -0.24 1.42 7.08 -1.38 -2.86 115.58 120.55 1p7m h ASN 55 Ca 0.04 -0.28 -0.00 0.00 -3.08 0.00 0.00 56.30 52.98 1p7m h ASN 55 Cb 0.91 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 37.00 1p7m h ASN 55 CO 0.08 0.98 0.15 0.22 -2.08 0.00 0.00 177.43 176.78 1p7m h TYR 56 N 0.31 0.32 0.00 4.14 3.20 0.13 -1.87 116.97 123.20 1p7m h TYR 56 Ca -0.01 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1p7m h TYR 56 Cb 1.16 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1p7m h TYR 56 CO 0.04 0.24 -0.28 0.07 -1.64 0.00 0.00 178.16 176.58 1p7m h ARG 57 N 0.31 0.00 -0.42 1.82 0.11 -1.54 -2.79 114.38 111.87 1p7m h ARG 57 Ca 0.09 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.05 1p7m h ARG 57 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1p7m h ARG 57 CO -0.02 0.28 -0.21 0.00 0.10 0.00 0.00 179.97 180.13 1p7m h ALA 58 N 1.72 0.85 0.04 0.08 0.00 -1.12 0.59 119.26 121.42 1p7m h ALA 58 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1p7m h ALA 58 Cb 0.56 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p7m h ALA 58 CO 0.04 0.64 -0.53 0.00 0.00 0.00 0.00 179.25 179.40 1p7m h PHE 60 N -0.36 0.12 0.00 0.00 -1.00 -1.55 -3.46 116.94 110.69 1p7m h PHE 60 Ca -0.08 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1p7m h PHE 60 Cb 1.31 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1p7m h PHE 60 CO 0.18 1.30 0.00 0.72 -1.61 0.00 0.00 178.31 178.90 1p7m n HIS 61 N -4.38 0.00 0.33 -0.55 8.25 0.21 -4.60 115.22 114.48 1p7m n HIS 61 Ca -0.21 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1p7m n HIS 61 Cb 0.65 -1.14 0.41 0.00 1.12 0.00 0.00 29.99 31.04 1p7m n HIS 61 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1p7m h GLN 62 N 0.00 0.00 0.00 -0.41 4.20 -1.89 -3.48 115.11 113.53 1p7m h GLN 62 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1p7m h GLN 62 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1p7m h GLN 62 CO 0.00 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.35 1p7m n PHE 63 N -2.84 0.00 0.00 2.96 3.72 -1.26 -4.68 117.46 115.36 1p7m n PHE 63 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1p7m n PHE 63 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p7m n ASP 64 N 3.25 0.00 -0.58 4.37 9.92 -1.26 -5.03 116.55 127.22 1p7m n ASP 64 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1p7m n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1p7m n ASP 64 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1p7m n PRO 65 N 0.00 3.21 0.12 -0.24 -0.02 -1.26 -3.95 135.00 132.86 1p7m n PRO 65 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 1p7m n PRO 65 Cb 0.00 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.14 1p7m n PRO 65 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1p7m h VAL 66 N 0.00 0.87 -1.00 -1.45 2.07 -1.97 -0.41 116.25 114.36 1p7m h VAL 66 Ca 0.00 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1p7m h VAL 66 Cb 0.00 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1p7m h VAL 66 CO 0.00 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.33 1p7m h LYS 67 N 0.02 0.93 -0.39 1.57 6.56 -1.91 0.23 116.57 123.58 1p7m h LYS 67 Ca 0.13 -0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 59.52 1p7m h LYS 67 Cb 0.51 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1p7m h LYS 67 CO -0.00 0.61 -0.31 0.28 -2.06 0.00 0.00 179.45 177.96 1p7m h VAL 68 N 0.95 1.28 0.00 0.50 2.07 -1.19 -1.20 116.25 118.66 1p7m h VAL 68 Ca 0.51 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1p7m h VAL 68 Cb 0.55 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1p7m h VAL 68 CO -0.28 0.50 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1p7m h ALA 69 N 0.78 1.00 -0.00 1.67 0.00 -0.72 0.46 119.26 122.44 1p7m h ALA 69 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p7m h ALA 69 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p7m h ALA 69 CO 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.11 1p7m n ALA 70 N -1.87 2.98 -2.63 0.00 0.00 0.56 -4.74 120.51 114.80 1p7m n ALA 70 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1p7m n ALA 70 Cb 0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.64 4.05 0.56 0.00 -1.94 0.16 -5.03 119.30 114.47 1p7m s MET 71 Ca 0.22 0.91 0.03 0.00 -1.71 0.00 0.00 55.69 55.15 1p7m s MET 71 Cb 0.19 -3.72 0.05 0.00 2.01 0.00 0.00 34.83 33.36 1p7m s MET 71 CO 0.54 -0.77 0.78 -0.65 -0.01 0.00 0.00 175.02 174.91 1p7m s GLN 72 N 3.30 2.41 0.50 2.03 -0.21 -1.26 -4.91 119.66 121.51 1p7m s GLN 72 Ca 0.40 -1.01 0.22 0.00 0.02 0.00 0.00 55.36 54.99 1p7m s GLN 72 Cb -0.13 -2.52 1.28 0.00 1.00 0.00 0.00 33.01 32.64 1p7m s GLN 72 CO 0.13 -0.79 1.96 0.93 -2.12 0.00 0.00 175.29 175.41 1p7m h GLU 73 N 0.07 0.14 -0.67 2.91 5.08 -1.98 0.40 114.58 120.54 1p7m h GLU 73 Ca -0.39 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1p7m h GLU 73 Cb 1.29 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1p7m h GLU 73 CO 0.47 0.09 0.33 1.49 -1.00 0.00 0.00 179.01 180.40 1p7m h GLU 74 N 0.14 0.57 -0.48 2.33 4.81 -2.00 0.89 114.58 120.84 1p7m h GLU 74 Ca 0.30 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1p7m h GLU 74 Cb 1.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1p7m h GLU 74 CO -0.04 0.38 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.10 1p7m h ASP 75 N 0.59 0.83 -0.60 1.04 3.32 -1.29 -2.69 116.42 117.62 1p7m h ASP 75 Ca 0.32 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 57.18 1p7m h ASP 75 Cb 0.30 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1p7m h ASP 75 CO -0.24 0.94 0.32 0.58 -1.72 0.00 0.00 179.24 179.11 1p7m h VAL 76 N 0.77 0.96 -0.67 -1.35 2.07 -0.44 -0.29 116.25 117.31 1p7m h VAL 76 Ca 0.13 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1p7m h VAL 76 Cb 0.57 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1p7m h VAL 76 CO 0.03 0.11 0.27 -0.33 0.02 0.00 0.00 177.57 177.68 1p7m h GLU 77 N 0.60 0.99 -0.95 1.57 4.39 -0.91 -1.96 114.58 118.32 1p7m h GLU 77 Ca 0.26 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1p7m h GLU 77 Cb 0.16 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1p7m h GLU 77 CO -0.17 0.80 0.57 -0.09 -1.16 0.00 0.00 179.01 178.95 1p7m h ARG 78 N 0.97 1.29 -0.27 2.33 2.43 -0.83 -2.09 114.38 118.22 1p7m h ARG 78 Ca 0.23 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1p7m h ARG 78 Cb 0.18 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1p7m h ARG 78 CO -0.02 0.90 0.01 -0.07 -1.51 0.00 0.00 179.97 179.28 1p7m h LEU 79 N 1.31 0.36 -1.62 3.80 3.38 -0.34 0.24 115.31 122.44 1p7m h LEU 79 Ca 0.34 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.46 1p7m h LEU 79 Cb -0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1p7m h LEU 79 CO -0.06 0.42 0.59 0.58 0.09 0.00 0.00 178.44 180.05 1p7m h VAL 80 N 0.38 0.67 -0.01 1.22 2.07 -1.07 -0.64 116.25 118.88 1p7m h VAL 80 Ca 0.09 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1p7m h VAL 80 Cb 0.24 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1p7m h VAL 80 CO 0.00 0.06 -0.22 0.00 0.02 0.00 0.00 177.57 177.44 1p7m n GLN 81 N -4.46 1.78 -2.68 1.57 10.64 -0.55 -4.41 117.38 119.27 1p7m n GLN 81 Ca 0.18 -0.75 -0.43 0.00 -1.83 0.00 0.00 57.00 54.17 1p7m n GLN 81 Cb 0.72 -1.16 -0.03 0.00 -0.86 0.00 0.00 30.24 28.92 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 -1.47 6.52 0.00 2.61 2.15 0.74 -3.70 116.67 123.53 1p7m s ASP 82 Ca 0.11 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1p7m s ASP 82 Cb 0.10 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1p7m s ASP 82 CO 0.28 -1.25 0.00 0.00 -0.17 0.00 0.00 175.17 174.03 1p7m n ALA 83 N 7.77 0.00 -2.35 3.66 0.00 -1.26 -3.21 120.51 125.12 1p7m n ALA 83 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 1p7m n ALA 83 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.72 0.24 0.20 0.00 0.00 -1.24 -5.01 105.19 97.64 1p7m n GLY 84 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.77 0.00 -1.54 -0.61 -5.35 -1.20 -4.49 119.36 102.40 1p7m n ILE 85 Ca -0.05 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1p7m n ILE 85 Cb 0.54 -0.05 -0.09 0.00 -1.74 0.00 0.00 39.64 38.30 1p7m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p7m n ILE 86 N -2.89 0.00 -1.67 7.28 3.06 -1.26 -4.85 119.36 119.03 1p7m n ILE 86 Ca 0.01 -0.36 -0.44 0.00 -2.50 0.00 0.00 62.75 59.46 1p7m n ILE 86 Cb 0.03 -1.77 -0.01 0.00 0.54 0.00 0.00 39.64 38.42 1p7m n ILE 86 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1p7m n ARG 87 N 8.22 1.93 0.00 9.51 -4.01 -1.26 -4.87 116.66 126.18 1p7m n ARG 87 Ca 0.45 0.68 0.00 0.00 -1.04 0.00 0.00 57.85 57.94 1p7m n ARG 87 Cb 0.42 -2.24 0.00 0.00 -3.04 0.00 0.00 32.46 27.60 1p7m n ARG 87 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1p7m n HIS 88 N 0.71 0.00 -0.29 2.89 8.25 -1.26 -5.02 115.22 120.50 1p7m n HIS 88 Ca 0.07 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.76 1p7m n HIS 88 Cb 0.34 0.00 0.53 0.00 1.12 0.00 0.00 29.99 31.98 1p7m n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p7m h ARG 89 N 0.00 0.36 0.63 -0.41 -0.00 -1.90 -0.01 114.38 113.05 1p7m h ARG 89 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.43 1p7m h ARG 89 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 29.97 29.90 1p7m h ARG 89 CO 0.00 0.24 -0.30 0.78 0.00 0.00 0.00 179.97 180.68 1p7m h GLY 90 N 0.37 -0.89 1.03 0.04 0.00 -1.99 0.10 103.07 101.73 1p7m h GLY 90 Ca 0.54 0.33 -0.08 0.00 0.00 0.00 0.00 47.33 48.12 1p7m h GLY 90 CO -0.22 -0.32 0.04 0.50 0.00 0.00 0.00 176.54 176.53 1p7m h LYS 91 N -0.86 0.95 -0.18 4.80 1.57 -1.65 -2.85 116.57 118.34 1p7m h LYS 91 Ca -0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1p7m h LYS 91 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1p7m h LYS 91 CO 0.14 0.94 0.08 0.82 -0.57 0.00 0.00 179.45 180.86 1p7m h ILE 92 N 0.83 1.14 -0.68 1.86 2.04 -0.95 -2.12 117.51 119.63 1p7m h ILE 92 Ca 0.16 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1p7m h ILE 92 Cb 0.49 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1p7m h ILE 92 CO 0.02 0.13 0.46 0.06 0.00 0.00 0.00 178.15 178.82 1p7m h GLN 93 N 0.16 0.48 -0.61 2.37 3.07 -0.75 0.12 115.11 119.95 1p7m h GLN 93 Ca 0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 1p7m h GLN 93 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1p7m h GLN 93 CO -0.01 0.31 0.21 0.00 0.09 0.00 0.00 178.83 179.44 1p7m h ALA 94 N 1.66 1.22 -0.61 0.06 0.00 -1.15 -2.18 119.26 118.26 1p7m h ALA 94 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1p7m h ALA 94 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1p7m h ALA 94 CO -0.10 0.55 0.37 0.82 0.00 0.00 0.00 179.25 180.89 1p7m h ILE 95 N 0.89 1.07 -0.87 0.00 1.08 -0.39 -0.44 117.51 118.85 1p7m h ILE 95 Ca 0.20 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1p7m h ILE 95 Cb 0.22 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 1p7m h ILE 95 CO -0.01 0.13 0.55 0.40 -0.69 0.00 0.00 178.15 178.53 1p7m h ILE 96 N 0.73 1.23 -0.66 -0.67 1.08 -1.18 -0.94 117.51 117.10 1p7m h ILE 96 Ca 0.25 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1p7m h ILE 96 Cb 0.02 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 1p7m h ILE 96 CO -0.10 0.23 0.44 1.23 -0.69 0.00 0.00 178.15 179.26 1p7m h GLY 97 N 1.19 0.94 0.96 5.37 0.00 -0.63 -1.51 103.07 109.39 1p7m h GLY 97 Ca 0.32 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1p7m h GLY 97 CO -0.06 0.34 0.63 3.43 0.00 0.00 0.00 176.54 180.88 1p7m h ASN 98 N 0.90 1.08 -0.45 0.19 -0.26 0.29 -1.90 115.58 115.42 1p7m h ASN 98 Ca 0.24 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1p7m h ASN 98 Cb -0.10 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.88 1p7m h ASN 98 CO -0.05 0.77 0.13 0.00 -1.06 0.00 0.00 177.43 177.22 1p7m h ALA 99 N 1.37 0.59 -0.88 -0.83 0.00 -1.05 -2.19 119.26 116.28 1p7m h ALA 99 Ca 0.36 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1p7m h ALA 99 Cb -0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.42 1p7m h ALA 99 CO -0.09 0.26 0.47 0.00 0.00 0.00 0.00 179.25 179.89 1p7m h ARG 100 N 0.60 0.64 0.00 0.00 -0.00 -0.93 0.97 114.38 115.67 1p7m h ARG 100 Ca 0.14 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.53 1p7m h ARG 100 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 1p7m h ARG 100 CO -0.00 0.42 -0.25 0.00 0.00 0.00 0.00 179.97 180.14 1p7m h ALA 101 N 1.57 1.51 -0.43 0.04 0.00 -0.93 -1.33 119.26 119.69 1p7m h ALA 101 Ca 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1p7m h ALA 101 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1p7m h ALA 101 CO -0.36 0.32 0.19 -0.92 0.00 0.00 0.00 179.25 178.48 1p7m h TYR 102 N 0.00 0.63 -0.28 0.00 3.20 0.15 -0.63 116.97 120.05 1p7m h TYR 102 Ca -0.00 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1p7m h TYR 102 Cb 0.47 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1p7m h TYR 102 CO 0.00 0.53 0.03 -0.07 -1.64 0.00 0.00 178.16 177.01 1p7m h LEU 103 N 0.55 0.38 -0.86 2.82 -0.00 -0.45 -1.93 115.31 115.81 1p7m h LEU 103 Ca 0.15 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 1p7m h LEU 103 Cb 0.15 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 1p7m h LEU 103 CO -0.02 0.42 -0.08 1.56 -0.00 0.00 0.00 178.44 180.32 1p7m h GLN 104 N 0.40 0.76 -0.27 1.13 4.20 -0.09 0.18 115.11 121.42 1p7m h GLN 104 Ca 0.09 -0.24 -0.19 0.00 0.06 0.00 0.00 58.65 58.38 1p7m h GLN 104 Cb 0.22 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1p7m h GLN 104 CO 0.00 0.82 -0.56 0.52 -0.67 0.00 0.00 178.83 178.94 1p7m h MET 105 N 0.69 0.85 -0.25 1.46 2.86 -0.51 -1.98 114.93 118.05 1p7m h MET 105 Ca 0.12 -0.56 -0.19 0.00 -2.06 0.00 0.00 59.70 57.01 1p7m h MET 105 Cb 0.55 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1p7m h MET 105 CO 0.03 1.19 -0.59 1.49 1.06 0.00 0.00 176.91 180.09 1p7m h GLU 106 N 0.63 0.81 0.00 1.72 4.81 -1.19 -1.73 114.58 119.63 1p7m h GLU 106 Ca 0.01 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1p7m h GLU 106 Cb 1.17 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1p7m h GLU 106 CO 0.12 1.17 -0.00 -0.56 -0.73 0.00 0.00 179.01 179.01 1p7m h GLN 107 N 0.61 0.00 -0.00 1.92 3.07 -0.64 0.17 115.11 120.24 1p7m h GLN 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1p7m h GLN 107 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1p7m h GLN 107 CO 0.13 0.00 -0.26 -1.71 0.09 0.00 0.00 178.83 177.07 1p7m n ASN 108 N -3.09 0.35 -1.29 0.06 2.85 -0.75 -4.90 115.26 108.49 1p7m n ASN 108 Ca -0.00 -0.08 -0.13 0.00 -0.11 0.00 0.00 54.58 54.26 1p7m n ASN 108 Cb 0.26 -0.05 -0.02 0.00 1.24 0.00 0.00 39.78 41.20 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p7m n GLY 109 N 1.46 0.40 3.04 8.20 0.00 0.61 -4.98 105.19 113.92 1p7m n GLY 109 Ca 0.08 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1p7m n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p7m s GLU 110 N -4.07 1.68 0.41 1.61 2.56 -0.71 -5.03 118.70 115.15 1p7m s GLU 110 Ca 0.00 -1.78 -0.24 0.00 0.00 0.00 0.00 54.97 52.95 1p7m s GLU 110 Cb 0.00 -3.20 -0.11 0.00 2.00 0.00 0.00 34.13 32.82 1p7m s GLU 110 CO 0.00 -0.89 0.98 -2.30 -0.56 0.00 0.00 175.26 172.49 1p7m n PRO 111 N 4.33 1.30 -0.11 4.30 -0.02 -1.26 -4.55 135.00 138.98 1p7m n PRO 111 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1p7m n PRO 111 Cb 0.42 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.51 0.56 0.00 6.00 -1.00 -1.93 -2.82 116.94 119.26 1p7m h PHE 112 Ca -0.44 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.25 1p7m h PHE 112 Cb 1.34 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 1p7m h PHE 112 CO 0.43 0.58 -0.12 0.00 -1.61 0.00 0.00 178.31 177.59 1p7m h ALA 113 N 0.92 1.49 -0.04 2.45 0.00 -1.86 -3.03 119.26 119.19 1p7m h ALA 113 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p7m h ALA 113 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p7m h ALA 113 CO 0.00 0.16 -0.00 0.22 0.00 0.00 0.00 179.25 179.63 1p7m h ASP 114 N 0.00 0.07 -0.21 0.00 3.58 -1.86 -2.46 116.42 115.53 1p7m h ASP 114 Ca -0.00 -0.31 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 1p7m h ASP 114 Cb 0.28 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1p7m h ASP 114 CO 0.02 0.36 -0.21 2.19 -2.88 0.00 0.00 179.24 178.72 1p7m h PHE 115 N -0.23 0.62 0.38 0.28 -0.00 -1.58 -2.54 116.94 113.88 1p7m h PHE 115 Ca 0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.97 57.78 1p7m h PHE 115 Cb 0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 35.95 36.15 1p7m h PHE 115 CO 0.03 0.86 -0.18 -0.24 -0.00 0.00 0.00 178.31 178.78 1p7m h VAL 116 N 0.21 0.63 -0.13 0.88 3.04 -1.60 -0.69 116.25 118.58 1p7m h VAL 116 Ca 0.03 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.67 1p7m h VAL 116 Cb 0.76 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1p7m h VAL 116 CO 0.05 0.02 0.24 -0.50 -1.01 0.00 0.00 177.57 176.37 1p7m h TRP 117 N -0.57 0.00 -0.37 3.17 4.06 -1.51 0.11 115.95 120.84 1p7m h TRP 117 Ca -0.05 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.75 1p7m h TRP 117 Cb 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1p7m h TRP 117 CO -0.04 0.00 -0.35 0.77 -3.56 0.00 0.00 178.44 175.27 1p7m h SER 118 N 0.00 0.91 -0.14 -3.49 0.02 -0.68 1.74 113.55 111.90 1p7m h SER 118 Ca 0.06 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1p7m h SER 118 Cb 0.54 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1p7m h SER 118 CO -0.00 1.16 -0.07 -0.26 -1.14 0.00 0.00 176.83 176.52 1p7m h PHE 119 N 0.71 0.47 -0.36 3.45 0.04 -0.44 -1.31 116.94 119.51 1p7m h PHE 119 Ca 0.07 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1p7m h PHE 119 Cb 0.91 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1p7m h PHE 119 CO 0.05 0.52 0.00 1.33 -0.60 0.00 0.00 178.31 179.61 1p7m n VAL 120 N -4.25 1.50 -3.60 -0.55 0.24 -1.12 -4.81 118.33 105.74 1p7m n VAL 120 Ca 0.01 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.34 61.28 1p7m n VAL 120 Cb 0.27 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1p7m n ASN 121 N 0.43 -4.40 -1.69 -1.34 3.02 -0.49 -1.45 115.26 109.34 1p7m n ASN 121 Ca 0.16 -0.62 -0.02 0.00 -0.03 0.00 0.00 54.58 54.08 1p7m n ASN 121 Cb 0.75 -4.84 -0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1p7m n ASN 121 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p7m n HIS 122 N -4.64 -1.37 -4.11 3.10 1.44 0.59 -4.84 115.22 105.39 1p7m n HIS 122 Ca -0.11 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.48 1p7m n HIS 122 Cb 0.60 -1.21 -0.11 0.00 0.12 0.00 0.00 29.99 29.40 1p7m n HIS 122 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1p7m s GLN 123 N -3.41 0.67 0.57 -1.40 -2.07 -0.53 -5.07 119.66 108.42 1p7m s GLN 123 Ca 0.00 -0.99 -0.21 0.00 -1.82 0.00 0.00 55.36 52.34 1p7m s GLN 123 Cb 0.00 -0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 31.57 1p7m s GLN 123 CO 0.00 0.04 1.32 -1.25 -1.32 0.00 0.00 175.29 174.07 1p7m s PRO 124 N -2.44 3.04 -0.18 9.60 0.04 -1.26 -4.78 135.00 139.02 1p7m s PRO 124 Ca -0.01 2.13 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 1p7m s PRO 124 Cb -0.04 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1p7m s PRO 124 CO -0.01 -1.23 0.13 -1.14 0.04 0.00 0.00 177.00 174.78 1p7m s GLN 125 N -3.03 4.04 -0.37 4.56 2.00 -0.83 -4.98 119.66 121.05 1p7m s GLN 125 Ca 0.74 -0.22 -0.16 0.00 -2.00 0.00 0.00 55.36 53.72 1p7m s GLN 125 Cb -0.38 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.07 1p7m s GLN 125 CO 0.44 0.38 0.40 -1.64 -0.50 0.00 0.00 175.29 174.36 1p7m s MET 126 N 0.12 3.38 -0.33 1.67 -1.94 -1.26 -1.23 119.30 119.72 1p7m s MET 126 Ca 0.09 -0.54 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 1p7m s MET 126 Cb -0.11 -3.87 -0.01 0.00 2.01 0.00 0.00 34.83 32.85 1p7m s MET 126 CO -0.01 -0.66 0.52 0.99 -0.01 0.00 0.00 175.02 175.86 1p7m s THR 127 N 2.07 5.02 -0.79 2.05 2.01 -0.89 -4.92 115.64 120.19 1p7m s THR 127 Ca 0.12 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1p7m s THR 127 Cb -0.17 -3.94 0.32 0.00 0.01 0.00 0.00 72.50 68.72 1p7m s THR 127 CO 0.12 -0.16 1.01 0.00 -0.69 0.00 0.00 174.62 174.90 1p7m n GLN 128 N 5.73 2.49 -2.28 4.92 6.02 -1.26 -4.69 117.38 128.30 1p7m n GLN 128 Ca -0.04 -1.23 -0.40 0.00 -0.01 0.00 0.00 57.00 55.31 1p7m n GLN 128 Cb 0.49 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.69 3.40 -0.12 -1.58 0.00 -1.26 -4.93 121.76 115.58 1p7m s ALA 129 Ca 0.21 1.07 0.13 0.00 0.00 0.00 0.00 51.96 53.37 1p7m s ALA 129 Cb 0.16 -3.40 -0.18 0.00 0.00 0.00 0.00 23.12 19.70 1p7m s ALA 129 CO 0.07 -0.44 0.09 2.41 0.00 0.00 0.00 175.76 177.88 1p7m n THR 130 N 0.81 0.82 -4.35 0.00 -1.04 -1.26 -2.80 114.28 106.46 1p7m n THR 130 Ca 0.00 -0.56 -0.18 0.00 -2.04 0.00 0.00 64.05 61.28 1p7m n THR 130 Cb 0.44 -0.52 -0.10 0.00 -1.82 0.00 0.00 70.33 68.32 1p7m n THR 130 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1p7m s THR 131 N -2.43 1.47 0.35 12.58 -4.23 -1.26 -4.62 115.64 117.50 1p7m s THR 131 Ca -0.07 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.37 1p7m s THR 131 Cb 0.05 -2.17 0.30 0.00 1.34 0.00 0.00 72.50 72.01 1p7m s THR 131 CO 0.58 -0.49 1.93 -0.07 -0.54 0.00 0.00 174.62 176.03 1p7m h LEU 132 N 2.51 0.71 -1.78 4.79 3.38 -1.95 0.12 115.31 123.08 1p7m h LEU 132 Ca -0.38 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1p7m h LEU 132 Cb 1.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1p7m h LEU 132 CO 0.64 0.44 -0.07 0.28 0.09 0.00 0.00 178.44 179.82 1p7m h SER 133 N 0.80 0.04 0.64 -0.43 0.02 -2.00 -0.08 113.55 112.54 1p7m h SER 133 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1p7m h SER 133 Cb 0.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1p7m h SER 133 CO -0.13 0.12 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.06 1p7m n GLU 134 N -4.43 0.35 -2.50 3.45 -0.58 0.40 -4.78 120.64 112.57 1p7m n GLU 134 Ca -0.02 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 1p7m n GLU 134 Cb 0.17 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 1p7m n GLU 134 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1p7m s ILE 135 N -2.65 4.12 -0.32 -3.67 1.10 -0.05 -4.71 121.20 115.01 1p7m s ILE 135 Ca 0.26 1.60 0.21 0.00 -0.51 0.00 0.00 60.65 62.21 1p7m s ILE 135 Cb 0.20 -4.03 0.26 0.00 0.15 0.00 0.00 42.46 39.04 1p7m s ILE 135 CO 0.48 0.17 1.58 1.55 -2.11 0.00 0.00 174.94 176.61 1p7m h PRO 136 N 6.27 0.00 0.00 3.50 0.13 -1.86 -3.46 132.00 136.58 1p7m h PRO 136 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1p7m h PRO 136 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1p7m h PRO 136 CO 0.77 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.95 1p7m n THR 137 N -3.14 0.00 -3.20 1.56 -2.24 -1.26 -4.66 114.28 101.33 1p7m n THR 137 Ca 0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1p7m n THR 137 Cb 0.58 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.24 0.48 0.31 3.42 0.01 -1.26 -4.49 113.70 110.92 1p7m s SER 138 Ca 0.00 -2.22 0.01 0.00 1.31 0.00 0.00 55.95 55.05 1p7m s SER 138 Cb 0.00 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1p7m s SER 138 CO 0.00 -0.16 0.49 0.42 0.41 0.00 0.00 173.24 174.40 1p7m s THR 139 N 0.71 5.14 0.33 1.44 -4.23 -1.26 -4.83 115.64 112.95 1p7m s THR 139 Ca 0.27 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1p7m s THR 139 Cb -0.03 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.28 1p7m s THR 139 CO -0.10 -0.46 1.85 1.55 -0.54 0.00 0.00 174.62 176.92 1p7m h PRO 140 N 1.03 0.75 -0.06 3.99 0.13 -2.00 1.21 132.00 137.04 1p7m h PRO 140 Ca -0.50 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.47 1p7m h PRO 140 Cb 1.22 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1p7m h PRO 140 CO 0.62 0.50 -0.42 0.00 -0.23 0.00 0.00 178.00 178.47 1p7m h ALA 141 N 1.59 0.13 -0.58 -0.56 0.00 -1.94 -0.97 119.26 116.94 1p7m h ALA 141 Ca 0.47 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p7m h ALA 141 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1p7m h ALA 141 CO -0.24 0.27 0.25 0.77 0.00 0.00 0.00 179.25 180.29 1p7m h SER 142 N -0.10 0.78 -0.61 0.00 0.02 -1.56 0.55 113.55 112.63 1p7m h SER 142 Ca -0.04 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1p7m h SER 142 Cb 1.09 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1p7m h SER 142 CO 0.09 0.72 0.20 -0.78 -1.14 0.00 0.00 176.83 175.92 1p7m h ASP 143 N 0.79 0.88 0.50 3.07 1.82 0.14 -1.53 116.42 122.08 1p7m h ASP 143 Ca 0.19 -0.20 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1p7m h ASP 143 Cb 0.17 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1p7m h ASP 143 CO -0.02 0.84 -0.41 0.00 -1.61 0.00 0.00 179.24 178.04 1p7m h ALA 144 N 1.07 1.22 -0.20 -0.78 0.00 -0.71 -2.63 119.26 117.23 1p7m h ALA 144 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p7m h ALA 144 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1p7m h ALA 144 CO -0.01 0.51 0.11 1.25 0.00 0.00 0.00 179.25 181.11 1p7m h LEU 145 N 0.00 0.25 -0.55 0.00 7.12 0.11 -1.66 115.31 120.58 1p7m h LEU 145 Ca -0.00 -0.08 -0.09 0.00 0.13 0.00 0.00 57.88 57.84 1p7m h LEU 145 Cb 0.77 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1p7m h LEU 145 CO 0.05 0.26 0.00 0.28 -0.13 0.00 0.00 178.44 178.90 1p7m h SER 146 N 0.22 0.96 -0.90 1.25 0.02 -1.27 -2.24 113.55 111.59 1p7m h SER 146 Ca 0.07 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1p7m h SER 146 Cb 0.06 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1p7m h SER 146 CO -0.01 1.03 0.59 0.50 -1.14 0.00 0.00 176.83 177.80 1p7m h LYS 147 N 0.86 1.05 0.28 3.45 3.64 -1.21 0.56 116.57 125.21 1p7m h LYS 147 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1p7m h LYS 147 Cb 0.54 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1p7m h LYS 147 CO 0.03 0.70 -0.14 0.00 -2.27 0.00 0.00 179.45 177.77 1p7m h ALA 148 N 1.49 -0.38 -0.20 5.00 0.00 -1.06 -2.89 119.26 121.22 1p7m h ALA 148 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p7m h ALA 148 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1p7m h ALA 148 CO -0.12 -0.44 0.13 -0.07 0.00 0.00 0.00 179.25 178.76 1p7m h LEU 149 N -0.93 0.22 -0.46 0.00 4.07 -1.22 0.74 115.31 117.74 1p7m h LEU 149 Ca -0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1p7m h LEU 149 Cb 0.50 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1p7m h LEU 149 CO 0.06 0.16 0.27 0.50 -1.08 0.00 0.00 178.44 178.36 1p7m h LYS 150 N 0.26 0.63 0.00 1.13 3.64 0.16 0.06 116.57 122.46 1p7m h LYS 150 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p7m h LYS 150 Cb -0.02 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1p7m h LYS 150 CO -0.02 0.47 -0.30 1.63 -2.27 0.00 0.00 179.45 178.96 1p7m n LYS 151 N -4.71 0.20 -0.01 1.90 5.02 -0.79 -3.43 118.16 116.34 1p7m n LYS 151 Ca 0.01 0.11 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 1p7m n LYS 151 Cb 0.06 -1.68 0.62 0.00 -0.02 0.00 0.00 35.03 34.02 1p7m n LYS 151 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1p7m n ARG 152 N -1.99 1.13 -0.44 1.97 3.00 0.19 -4.83 116.66 115.67 1p7m n ARG 152 Ca 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1p7m n ARG 152 Cb 0.41 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1p7m n GLY 153 N 0.90 0.83 3.28 5.14 0.00 -1.16 -4.65 105.19 109.52 1p7m n GLY 153 Ca 0.17 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 3.23 0.59 1.61 0.40 -0.04 -4.47 117.98 117.29 1p7m s PHE 154 Ca 0.00 -1.35 0.02 0.00 -0.60 0.00 0.00 56.93 55.00 1p7m s PHE 154 Cb 0.00 -2.26 0.11 0.00 0.51 0.00 0.00 43.02 41.38 1p7m s PHE 154 CO 0.00 -0.70 0.81 1.63 0.70 0.00 0.00 175.22 177.66 1p7m n LYS 155 N 4.81 0.19 -3.81 0.44 5.02 -1.26 -3.99 118.16 119.56 1p7m n LYS 155 Ca -0.13 -2.43 -0.28 0.00 -2.02 0.00 0.00 58.31 53.45 1p7m n LYS 155 Cb 0.45 -0.46 0.04 0.00 -0.02 0.00 0.00 35.03 35.04 1p7m n LYS 155 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1p7m n PHE 156 N -2.48 -2.47 -2.48 2.13 3.01 -1.26 -4.88 117.46 109.03 1p7m n PHE 156 Ca 0.14 0.94 -0.22 0.00 1.01 0.00 0.00 57.45 59.32 1p7m n PHE 156 Cb 0.51 -4.32 0.01 0.00 -0.01 0.00 0.00 39.48 35.67 1p7m n PHE 156 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1p7m n VAL 157 N -4.77 2.05 -0.84 -4.37 3.14 -1.26 -4.14 118.33 108.15 1p7m n VAL 157 Ca 0.02 -4.37 -0.34 0.00 -2.96 0.00 0.00 64.34 56.69 1p7m n VAL 157 Cb 0.54 -0.74 0.10 0.00 -1.06 0.00 0.00 33.84 32.69 1p7m n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p7m n GLY 158 N -0.42 -2.79 0.31 7.55 0.00 -1.26 -4.48 105.19 104.09 1p7m n GLY 158 Ca 0.32 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1p7m n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p7m h THR 159 N -1.48 0.92 -0.16 2.61 2.02 -1.94 -0.09 112.91 114.79 1p7m h THR 159 Ca -0.45 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1p7m h THR 159 Cb 1.31 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1p7m h THR 159 CO 0.31 0.01 -0.65 0.74 0.37 0.00 0.00 175.52 176.31 1p7m h THR 160 N 0.08 1.32 -0.70 3.16 2.02 -1.87 -2.70 112.91 114.22 1p7m h THR 160 Ca 0.11 -1.92 -0.07 0.00 0.77 0.00 0.00 66.41 65.30 1p7m h THR 160 Cb 0.33 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1p7m h THR 160 CO -0.01 0.60 0.15 0.40 0.37 0.00 0.00 175.52 177.03 1p7m h ILE 161 N 0.45 1.26 -0.06 3.11 2.04 -1.33 0.53 117.51 123.51 1p7m h ILE 161 Ca -0.01 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1p7m h ILE 161 Cb 1.23 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1p7m h ILE 161 CO 0.12 0.38 0.03 0.00 0.00 0.00 0.00 178.15 178.68 1p7m h TYR 163 N -0.02 1.08 -0.51 0.00 5.03 -1.30 -2.11 116.97 119.13 1p7m h TYR 163 Ca 0.02 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.13 1p7m h TYR 163 Cb 0.11 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 1p7m h TYR 163 CO -0.04 0.92 0.14 0.77 -1.32 0.00 0.00 178.16 178.64 1p7m h SER 164 N 0.92 0.76 -0.92 -2.11 0.02 -0.70 -2.73 113.55 108.80 1p7m h SER 164 Ca 0.19 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1p7m h SER 164 Cb 0.43 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1p7m h SER 164 CO 0.01 0.79 0.61 0.15 -1.14 0.00 0.00 176.83 177.24 1p7m h PHE 165 N 0.70 1.14 -0.90 3.45 3.57 -0.50 -2.45 116.94 121.96 1p7m h PHE 165 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1p7m h PHE 165 Cb 0.31 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1p7m h PHE 165 CO 0.02 0.69 0.54 0.52 -2.23 0.00 0.00 178.31 177.86 1p7m h MET 166 N 1.21 1.22 -0.40 1.11 2.86 -1.09 -0.85 114.93 119.01 1p7m h MET 166 Ca 0.35 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1p7m h MET 166 Cb -0.08 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 1p7m h MET 166 CO -0.09 0.86 0.12 1.96 1.06 0.00 0.00 176.91 180.82 1p7m h GLN 167 N 1.24 0.62 -0.02 1.72 4.20 -1.23 -1.72 115.11 119.92 1p7m h GLN 167 Ca 0.32 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 1p7m h GLN 167 Cb -0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1p7m h GLN 167 CO -0.06 0.62 -0.70 0.00 -0.67 0.00 0.00 178.83 178.02 1p7m h ALA 168 N 0.97 0.80 -0.19 3.87 0.00 -1.35 -2.46 119.26 120.90 1p7m h ALA 168 Ca 0.13 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 1p7m h ALA 168 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1p7m h ALA 168 CO -0.00 0.83 -0.68 0.00 0.00 0.00 0.00 179.25 179.40 1p7m n GLY 170 N 0.54 0.98 0.25 0.00 0.00 -0.69 -4.12 105.19 102.16 1p7m n GLY 170 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.29 -8.67 0.99 3.38 -1.73 -3.43 115.31 106.12 1p7m h LEU 171 Ca 0.00 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 57.36 1p7m h LEU 171 Cb 0.00 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 40.46 1p7m h LEU 171 CO 0.00 0.43 -0.82 0.54 0.09 0.00 0.00 178.44 178.67 1p7m s VAL 172 N -4.77 1.70 0.23 1.22 0.11 -1.22 -1.96 120.40 115.70 1p7m s VAL 172 Ca -0.06 -1.56 0.05 0.00 -2.93 0.00 0.00 61.98 57.49 1p7m s VAL 172 Cb 0.15 -1.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1p7m s VAL 172 CO 0.74 -0.08 -0.06 0.20 -3.33 0.00 0.00 175.10 172.57 1p7m s ASN 173 N -1.95 2.27 0.00 3.54 0.02 -0.36 -4.70 114.94 113.76 1p7m s ASN 173 Ca 0.07 -1.15 0.00 0.00 -1.02 0.00 0.00 52.86 50.76 1p7m s ASN 173 Cb -0.10 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.09 1p7m s ASN 173 CO 0.04 -0.37 0.00 -0.67 0.02 0.00 0.00 177.10 176.12 1p7m n ASP 174 N -0.44 -1.05 -0.20 -1.22 -0.08 -1.26 -2.09 116.55 110.21 1p7m n ASP 174 Ca -0.06 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.17 1p7m n ASP 174 Cb 0.63 -0.52 0.06 0.00 2.34 0.00 0.00 41.12 43.62 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1p7m h HIS 175 N 0.00 0.65 0.00 -0.67 3.86 -1.91 -3.39 115.15 113.69 1p7m h HIS 175 Ca 0.00 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1p7m h HIS 175 Cb 0.30 -0.21 -0.14 0.00 1.06 0.00 0.00 27.41 28.42 1p7m h HIS 175 CO 0.00 0.36 -0.34 1.33 0.86 0.00 0.00 177.93 180.14 1p7m n VAL 176 N -4.77 0.00 -2.18 2.45 0.24 -1.26 -4.87 118.33 107.94 1p7m n VAL 176 Ca 0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1p7m n VAL 176 Cb 0.09 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1p7m n VAL 176 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1p7m n VAL 177 N 0.05-10.56 -2.23 3.34 0.31 -1.12 -4.28 118.33 103.83 1p7m n VAL 177 Ca -0.23 2.56 -0.01 0.00 -0.01 0.00 0.00 64.34 66.66 1p7m n VAL 177 Cb 0.73 -4.86 0.00 0.00 -0.91 0.00 0.00 33.84 28.79 1p7m n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p7m n GLY 178 N 1.89 0.58 3.56 2.92 0.00 -1.26 -4.94 105.19 107.93 1p7m n GLY 178 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 0.09 3.28 0.24 0.00 6.14 -1.20 -4.97 117.35 120.94 1p7m s TYR 182 Ca 0.17 1.33 -0.30 0.00 0.64 0.00 0.00 57.07 58.92 1p7m s TYR 182 Cb 0.25 -3.56 -0.09 0.00 0.42 0.00 0.00 41.96 38.98 1p7m s TYR 182 CO -0.12 -1.63 1.28 -1.25 0.64 0.00 0.00 175.55 174.46 1p7m s PRO 183 N -0.55 4.42 0.00 4.97 0.04 -1.26 -4.80 135.00 137.82 1p7m s PRO 183 Ca 0.53 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1p7m s PRO 183 Cb -0.36 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1p7m s PRO 183 CO 0.41 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1p7m n GLY 184 N 1.85 0.01 0.24 0.56 0.00 -1.26 -4.79 105.19 101.79 1p7m n GLY 184 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.59 0.73 -3.94 1.61 2.85 -1.26 -4.41 115.26 110.24 1p7m n ASN 185 Ca 0.00 -1.55 -0.30 0.00 -0.11 0.00 0.00 54.58 52.63 1p7m n ASN 185 Cb 0.00 -0.05 -0.13 0.00 1.24 0.00 0.00 39.78 40.85 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 -1.91 2.22 0.00 1.20 -0.14 -1.26 -5.34 119.74 114.51 1p7m s LYS 186 Ca 0.30 -2.91 0.00 0.00 -1.36 0.00 0.00 55.97 51.99 1p7m s LYS 186 Cb 0.15 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1p7m s LYS 186 CO 0.23 -1.18 0.15 -2.30 -0.76 0.00 0.00 175.35 171.50