#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 3.56 0.00 2.12 2.02 -1.26 -4.79 118.70 120.35 1p7m s GLU 2 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1p7m s GLU 2 Cb 0.00 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1p7m s GLU 2 CO 0.00 0.31 0.00 0.54 0.02 0.00 0.00 175.26 176.13 1p7m n ARG 3 N -0.90 0.00 -4.39 1.61 3.00 -1.26 -2.65 116.66 112.07 1p7m n ARG 3 Ca -0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.56 1p7m n ARG 3 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.91 1p7m n ARG 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p7m h GLY 5 N 2.22 0.75 0.54 0.00 0.00 -1.97 -1.60 103.07 103.01 1p7m h GLY 5 Ca -0.42 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1p7m h GLY 5 CO 0.59 0.31 -0.01 -2.67 0.00 0.00 0.00 176.54 174.76 1p7m n TRP 6 N -4.68 0.00 -0.04 5.60 2.14 -1.26 -3.30 117.44 115.90 1p7m n TRP 6 Ca 0.03 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.43 1p7m n TRP 6 Cb 0.06 -0.02 -0.13 0.00 -0.81 0.00 0.00 31.31 30.41 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 0.79 1.58 0.00 -1.67 2.07 -1.58 -3.22 116.25 114.22 1p7m h VAL 7 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1p7m h VAL 7 Cb 0.19 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1p7m h VAL 7 CO 0.00 0.61 0.00 -1.20 0.02 0.00 0.00 177.57 177.00 1p7m n SER 8 N -4.43 0.00 -0.05 0.57 7.64 -1.09 -3.43 113.62 112.83 1p7m n SER 8 Ca -0.14 -0.81 -0.16 0.00 1.01 0.00 0.00 58.87 58.77 1p7m n SER 8 Cb 0.61 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.05 -3.65 1.43 4.15 -1.56 -3.48 115.11 112.05 1p7m h GLN 9 Ca 0.00 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 1p7m h GLN 9 Cb 0.03 0.03 -0.15 0.00 0.21 0.00 0.00 27.48 27.60 1p7m h GLN 9 CO 0.00 1.04 -0.34 -0.51 -1.93 0.00 0.00 178.83 177.10 1p7m s ASP 10 N -6.43 0.04 0.43 -0.69 1.11 -1.22 -5.05 116.67 104.85 1p7m s ASP 10 Ca -0.20 -0.50 0.23 0.00 0.18 0.00 0.00 52.55 52.26 1p7m s ASP 10 Cb -0.01 0.34 0.87 0.00 1.07 0.00 0.00 42.92 45.19 1p7m s ASP 10 CO 0.70 -0.68 1.81 1.55 1.18 0.00 0.00 175.17 179.73 1p7m h PRO 11 N 2.95 0.00 -0.74 8.23 0.13 -1.90 -3.11 132.00 137.56 1p7m h PRO 11 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1p7m h PRO 11 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1p7m h PRO 11 CO 0.52 0.26 0.34 -0.07 -0.23 0.00 0.00 178.00 178.83 1p7m h LEU 12 N 0.00 0.96 -0.92 1.56 3.38 -1.93 -1.69 115.31 116.67 1p7m h LEU 12 Ca -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1p7m h LEU 12 Cb 0.77 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1p7m h LEU 12 CO 0.03 0.82 -0.06 1.88 0.09 0.00 0.00 178.44 181.20 1p7m h TYR 13 N 1.05 0.78 -0.61 1.13 0.05 -1.78 -2.56 116.97 115.03 1p7m h TYR 13 Ca 0.25 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.95 1p7m h TYR 13 Cb 0.12 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 1p7m h TYR 13 CO 0.01 0.77 0.36 0.82 -1.05 0.00 0.00 178.16 179.07 1p7m h ILE 14 N 0.67 1.03 0.06 -2.88 2.04 -1.38 1.15 117.51 118.21 1p7m h ILE 14 Ca 0.12 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1p7m h ILE 14 Cb 0.50 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1p7m h ILE 14 CO 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 178.15 178.28 1p7m h ALA 15 N 1.28 -0.08 -0.69 1.87 0.00 -1.29 0.48 119.26 120.84 1p7m h ALA 15 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1p7m h ALA 15 Cb 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1p7m h ALA 15 CO -0.13 -0.32 0.32 -0.92 0.00 0.00 0.00 179.25 178.20 1p7m h TYR 16 N -0.51 0.98 -0.08 0.00 3.20 -1.25 -2.23 116.97 117.08 1p7m h TYR 16 Ca -0.01 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 1p7m h TYR 16 Cb 0.45 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1p7m h TYR 16 CO 0.07 0.72 -0.46 1.25 -1.64 0.00 0.00 178.16 178.10 1p7m h HIS 17 N 0.98 0.62 0.00 -3.82 2.76 0.15 -3.13 115.15 112.70 1p7m h HIS 17 Ca 0.24 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1p7m h HIS 17 Cb 0.11 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1p7m h HIS 17 CO 0.01 1.05 0.00 -0.25 -1.30 0.00 0.00 177.93 177.44 1p7m n ASP 18 N -4.29 0.00 0.00 3.26 8.00 0.17 -4.08 116.55 119.61 1p7m n ASP 18 Ca -0.08 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1p7m n ASP 18 Cb 0.58 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1p7m n ASP 18 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p7m n ASN 19 N -1.39 0.00 -2.99 -2.24 5.03 -0.85 -4.96 115.26 107.86 1p7m n ASN 19 Ca 0.07 0.17 -0.10 0.00 0.87 0.00 0.00 54.58 55.59 1p7m n ASN 19 Cb 0.18 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.52 1p7m n ASN 19 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1p7m s GLU 20 N -0.78 0.98 -1.44 3.52 -1.05 -1.21 -4.97 118.70 113.76 1p7m s GLU 20 Ca 0.00 -1.22 -0.14 0.00 -0.15 0.00 0.00 54.97 53.46 1p7m s GLU 20 Cb 0.00 -0.40 0.05 0.00 -0.44 0.00 0.00 34.13 33.34 1p7m s GLU 20 CO 0.00 -1.32 2.16 1.87 0.95 0.00 0.00 175.26 178.92 1p7m n TRP 21 N 3.15 3.65 -2.96 4.83 -0.00 -1.26 -4.21 117.44 120.64 1p7m n TRP 21 Ca 0.20 -2.96 -0.12 0.00 -0.00 0.00 0.00 57.50 54.61 1p7m n TRP 21 Cb 0.53 -2.55 0.06 0.00 -0.00 0.00 0.00 31.31 29.36 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 4.20 -0.45 0.08 5.87 0.00 -1.11 -4.82 105.19 108.98 1p7m n GLY 22 Ca 0.51 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.09 0.97 -3.79 1.61 0.31 -1.26 -4.12 118.33 108.96 1p7m n VAL 23 Ca -0.13 -0.38 -0.28 0.00 -0.01 0.00 0.00 64.34 63.54 1p7m n VAL 23 Cb 0.61 -1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.34 3.50 0.54 5.55 0.04 -1.26 -4.98 135.00 136.05 1p7m s PRO 24 Ca -0.22 -0.38 -0.21 0.00 0.04 0.00 0.00 61.00 60.23 1p7m s PRO 24 Cb 0.06 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 1p7m s PRO 24 CO 0.39 0.47 1.21 -2.00 0.04 0.00 0.00 177.00 177.12 1p7m s GLU 25 N -3.08 3.28 0.32 4.56 2.12 -1.26 -4.45 118.70 120.18 1p7m s GLU 25 Ca 0.37 1.85 0.01 0.00 0.36 0.00 0.00 54.97 57.56 1p7m s GLU 25 Cb -0.11 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1p7m s GLU 25 CO 0.28 -0.97 0.51 0.95 -0.54 0.00 0.00 175.26 175.49 1p7m s THR 26 N -1.55 5.13 0.46 -1.70 -4.23 -1.25 -5.05 115.64 107.44 1p7m s THR 26 Ca 0.72 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1p7m s THR 26 Cb -0.31 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1p7m s THR 26 CO 0.35 -0.49 0.65 -0.62 -0.54 0.00 0.00 174.62 173.97 1p7m s ASP 27 N -3.92 5.62 0.30 3.99 -1.08 -1.26 -4.97 116.67 115.35 1p7m s ASP 27 Ca 0.39 -0.09 -0.01 0.00 -0.52 0.00 0.00 52.55 52.33 1p7m s ASP 27 Cb -0.10 -1.02 0.46 0.00 -1.46 0.00 0.00 42.92 40.80 1p7m s ASP 27 CO 0.34 -0.82 1.90 0.28 0.52 0.00 0.00 175.17 177.39 1p7m h SER 28 N 0.43 0.81 -0.27 -0.34 0.02 -1.97 -3.03 113.55 109.20 1p7m h SER 28 Ca -0.43 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.25 1p7m h SER 28 Cb 1.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1p7m h SER 28 CO 0.52 0.69 -0.57 0.11 -1.14 0.00 0.00 176.83 176.44 1p7m h LYS 29 N 0.90 0.87 -0.82 3.45 1.57 -2.00 -3.19 116.57 117.34 1p7m h LYS 29 Ca 0.22 -0.56 0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1p7m h LYS 29 Cb 0.10 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 1p7m h LYS 29 CO -0.03 1.20 0.53 0.87 -0.57 0.00 0.00 179.45 181.45 1p7m h LYS 30 N 0.66 0.76 -0.83 3.15 1.79 -1.92 -0.28 116.57 119.90 1p7m h LYS 30 Ca 0.01 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1p7m h LYS 30 Cb 1.18 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 1p7m h LYS 30 CO 0.13 0.50 0.54 -0.07 -1.08 0.00 0.00 179.45 179.47 1p7m h LEU 31 N 0.78 0.80 -0.25 2.94 3.38 -1.57 0.40 115.31 121.79 1p7m h LEU 31 Ca 0.38 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1p7m h LEU 31 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1p7m h LEU 31 CO -0.15 0.51 0.11 0.15 0.09 0.00 0.00 178.44 179.15 1p7m h PHE 32 N 0.90 0.37 -0.34 1.13 3.57 -1.16 -0.15 116.94 121.26 1p7m h PHE 32 Ca 0.36 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.68 1p7m h PHE 32 Cb 0.25 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1p7m h PHE 32 CO -0.00 0.37 -0.41 0.93 -2.23 0.00 0.00 178.31 176.97 1p7m h GLU 33 N 0.26 0.84 -0.44 1.11 5.08 -1.23 -2.82 114.58 117.37 1p7m h GLU 33 Ca 0.08 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1p7m h GLU 33 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1p7m h GLU 33 CO -0.01 1.09 0.19 1.98 -1.00 0.00 0.00 179.01 181.26 1p7m h MET 34 N 0.68 0.64 0.00 2.33 4.05 -0.00 -2.44 114.93 120.19 1p7m h MET 34 Ca 0.05 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 1p7m h MET 34 Cb 0.98 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1p7m h MET 34 CO 0.09 0.57 -0.36 0.97 0.23 0.00 0.00 176.91 178.41 1p7m h ILE 35 N 0.56 1.02 -0.29 1.77 6.09 -1.02 -1.35 117.51 124.30 1p7m h ILE 35 Ca 0.15 -1.36 -0.13 0.00 -1.37 0.00 0.00 64.86 62.15 1p7m h ILE 35 Cb 0.16 1.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.23 1p7m h ILE 35 CO -0.02 0.35 -0.32 0.00 -3.07 0.00 0.00 178.15 175.10 1p7m h LEU 37 N 0.47 0.86 -1.38 0.00 4.07 -1.33 -3.15 115.31 114.85 1p7m h LEU 37 Ca 0.04 -0.59 -0.04 0.00 0.08 0.00 0.00 57.88 57.37 1p7m h LEU 37 Cb 0.90 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1p7m h LEU 37 CO 0.08 1.38 -0.02 -0.33 -1.08 0.00 0.00 178.44 178.47 1p7m h GLU 38 N 0.47 0.38 -0.94 1.13 4.39 -1.23 -2.62 114.58 116.16 1p7m h GLU 38 Ca -0.06 -0.07 0.14 0.00 0.34 0.00 0.00 59.36 59.71 1p7m h GLU 38 Cb 1.44 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.95 1p7m h GLU 38 CO 0.16 0.43 0.60 0.78 -1.16 0.00 0.00 179.01 179.82 1p7m h GLY 39 N 0.72 1.42 2.00 -3.84 0.00 -1.27 0.17 103.07 102.27 1p7m h GLY 39 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1p7m h GLY 39 CO 0.01 0.09 -0.06 -1.61 0.00 0.00 0.00 176.54 174.97 1p7m h GLN 40 N 0.80 0.00 0.00 4.80 4.15 -1.59 -2.77 115.11 120.50 1p7m h GLN 40 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 1p7m h GLN 40 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1p7m h GLN 40 CO -0.25 0.06 0.19 1.04 -1.93 0.00 0.00 178.83 177.95 1p7m n GLN 41 N -3.70 0.00 -1.97 1.69 1.13 0.60 -3.76 117.38 111.38 1p7m n GLN 41 Ca -0.02 0.14 -0.43 0.00 -1.94 0.00 0.00 57.00 54.74 1p7m n GLN 41 Cb 0.16 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.80 1p7m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1p7m s ALA 42 N -2.07 3.07 0.00 -1.58 0.00 -1.05 -3.20 121.76 116.94 1p7m s ALA 42 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1p7m s ALA 42 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1p7m s ALA 42 CO 0.00 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 173.88 1p7m n GLY 43 N 5.09 0.94 3.92 0.00 0.00 -1.26 -4.89 105.19 108.98 1p7m n GLY 43 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 4.31 0.74 0.99 2.01 -1.19 -5.09 118.68 120.45 1p7m s LEU 44 Ca 0.00 0.38 -0.11 0.00 0.01 0.00 0.00 54.13 54.41 1p7m s LEU 44 Cb 0.00 -3.09 0.04 0.00 0.01 0.00 0.00 46.19 43.14 1p7m s LEU 44 CO 0.00 0.09 1.08 -0.44 1.01 0.00 0.00 176.35 178.09 1p7m s SER 45 N -2.65 4.99 0.26 2.29 0.01 -1.26 -4.35 113.70 112.98 1p7m s SER 45 Ca 0.37 1.40 -0.04 0.00 1.31 0.00 0.00 55.95 59.00 1p7m s SER 45 Cb -0.12 -2.21 0.33 0.00 0.21 0.00 0.00 66.02 64.23 1p7m s SER 45 CO 0.27 -1.66 1.85 -0.25 0.41 0.00 0.00 173.24 173.85 1p7m h TRP 46 N -0.87 1.03 0.00 2.43 2.91 -1.94 -1.70 115.95 117.80 1p7m h TRP 46 Ca -0.45 -0.06 -0.00 0.00 1.13 0.00 0.00 58.89 59.51 1p7m h TRP 46 Cb 1.24 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1p7m h TRP 46 CO 0.53 0.77 -0.01 0.97 -1.03 0.00 0.00 178.44 179.68 1p7m h ILE 47 N 1.01 0.53 -0.78 2.65 -0.00 -2.00 -0.43 117.51 118.49 1p7m h ILE 47 Ca 0.24 -0.03 -0.05 0.00 -0.00 0.00 0.00 64.86 65.02 1p7m h ILE 47 Cb 0.16 1.02 -0.03 0.00 -0.00 0.00 0.00 36.82 37.96 1p7m h ILE 47 CO -0.03 0.01 0.29 0.74 -0.00 0.00 0.00 178.15 179.17 1p7m h THR 48 N 0.00 1.26 -0.05 2.19 2.02 -1.67 -2.54 112.91 114.12 1p7m h THR 48 Ca -0.00 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.15 1p7m h THR 48 Cb 0.02 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1p7m h THR 48 CO 0.00 0.34 -0.73 -0.37 0.37 0.00 0.00 175.52 175.14 1p7m h VAL 49 N 1.14 1.41 -0.61 3.16 -1.51 -1.15 -2.91 116.25 115.79 1p7m h VAL 49 Ca 0.26 -2.21 0.08 0.00 -1.23 0.00 0.00 66.70 63.60 1p7m h VAL 49 Cb 0.24 2.17 -0.06 0.00 -2.13 0.00 0.00 31.29 31.51 1p7m h VAL 49 CO -0.02 0.65 0.28 0.25 -1.23 0.00 0.00 177.57 177.50 1p7m h LEU 50 N 0.20 0.35 -0.73 4.19 5.85 -1.03 0.80 115.31 124.93 1p7m h LEU 50 Ca -0.03 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1p7m h LEU 50 Cb 1.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1p7m h LEU 50 CO 0.12 0.21 0.47 0.11 -0.34 0.00 0.00 178.44 179.01 1p7m h LYS 51 N 0.50 0.89 -0.32 1.25 1.57 -1.40 0.20 116.57 119.26 1p7m h LYS 51 Ca 0.29 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1p7m h LYS 51 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1p7m h LYS 51 CO -0.25 0.59 0.05 -0.22 -0.57 0.00 0.00 179.45 179.05 1p7m h LYS 52 N 0.92 0.46 -0.98 3.15 3.64 -0.40 -2.29 116.57 121.07 1p7m h LYS 52 Ca 0.29 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1p7m h LYS 52 Cb -0.00 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 1p7m h LYS 52 CO -0.10 0.46 0.63 -0.09 -2.27 0.00 0.00 179.45 178.08 1p7m h ARG 53 N 0.46 1.13 -0.05 1.90 2.43 0.26 0.95 114.38 121.45 1p7m h ARG 53 Ca 0.11 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1p7m h ARG 53 Cb 0.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1p7m h ARG 53 CO 0.00 0.75 -0.22 1.49 -1.51 0.00 0.00 179.97 180.48 1p7m h GLU 54 N 1.17 0.23 -0.01 0.20 4.81 -1.19 -2.83 114.58 116.96 1p7m h GLU 54 Ca 0.42 -0.19 -0.24 0.00 -0.13 0.00 0.00 59.36 59.22 1p7m h GLU 54 Cb 0.13 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1p7m h GLU 54 CO -0.16 0.83 -0.97 -2.95 -0.73 0.00 0.00 179.01 175.03 1p7m h ASN 55 N -0.32 0.70 -0.41 1.04 -0.00 -1.28 -2.89 115.58 112.42 1p7m h ASN 55 Ca -0.01 -0.55 0.02 0.00 -0.00 0.00 0.00 56.30 55.75 1p7m h ASN 55 Cb 0.87 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.95 1p7m h ASN 55 CO 0.05 1.35 0.23 0.22 -0.00 0.00 0.00 177.43 179.28 1p7m h TYR 56 N 0.31 0.43 -0.11 4.14 3.20 0.83 0.90 116.97 126.66 1p7m h TYR 56 Ca -0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 1p7m h TYR 56 Cb 1.61 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 1p7m h TYR 56 CO 0.08 0.24 -0.02 0.00 -1.64 0.00 0.00 178.16 176.83 1p7m h ARG 57 N 0.47 0.16 -0.03 1.82 2.47 -1.53 0.85 114.38 118.58 1p7m h ARG 57 Ca 0.16 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1p7m h ARG 57 Cb 0.03 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1p7m h ARG 57 CO -0.09 0.19 -0.18 0.00 0.56 0.00 0.00 179.97 180.45 1p7m h ALA 58 N 1.83 0.07 -0.01 0.04 0.00 -0.80 -1.63 119.26 118.76 1p7m h ALA 58 Ca 0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1p7m h ALA 58 Cb 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1p7m h ALA 58 CO 0.00 0.03 -0.58 0.00 0.00 0.00 0.00 179.25 178.71 1p7m n PHE 60 N -4.23 0.00 -0.05 0.00 3.01 0.27 -3.76 117.46 112.70 1p7m n PHE 60 Ca -0.10 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.57 1p7m n PHE 60 Cb 0.66 -0.13 0.68 0.00 -0.01 0.00 0.00 39.48 40.68 1p7m n PHE 60 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1p7m h HIS 61 N 0.34 0.04 -0.49 1.38 2.76 -1.30 0.41 115.15 118.29 1p7m h HIS 61 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1p7m h HIS 61 Cb 0.22 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1p7m h HIS 61 CO 0.00 0.02 0.23 1.96 -1.30 0.00 0.00 177.93 178.83 1p7m h GLN 62 N 0.04 0.68 0.00 5.26 4.20 -1.80 -3.40 115.11 120.09 1p7m h GLN 62 Ca 0.30 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1p7m h GLN 62 Cb 1.14 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1p7m h GLN 62 CO -0.01 0.54 0.00 1.19 -0.67 0.00 0.00 178.83 179.87 1p7m n PHE 63 N -4.38 0.00 0.00 2.96 3.01 0.12 -5.02 117.46 114.15 1p7m n PHE 63 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1p7m n PHE 63 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1p7m n ASP 64 N -0.16 0.00 0.00 4.37 8.00 -0.02 -4.64 116.55 124.11 1p7m n ASP 64 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1p7m n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1p7m n ASP 64 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1p7m n PRO 65 N 0.00 0.00 0.24 -0.24 -0.04 -1.26 -4.40 135.00 129.30 1p7m n PRO 65 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1p7m n PRO 65 Cb 0.00 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.04 1p7m n PRO 65 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1p7m h VAL 66 N 0.00 1.05 -0.50 0.52 2.07 -1.93 -0.18 116.25 117.28 1p7m h VAL 66 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1p7m h VAL 66 Cb 0.00 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1p7m h VAL 66 CO 0.00 0.09 0.21 0.11 0.02 0.00 0.00 177.57 177.99 1p7m h LYS 67 N 0.00 0.71 -0.45 1.57 1.57 -1.87 0.15 116.57 118.24 1p7m h LYS 67 Ca -0.00 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1p7m h LYS 67 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1p7m h LYS 67 CO 0.01 0.57 0.02 0.28 -0.57 0.00 0.00 179.45 179.77 1p7m h VAL 68 N 0.70 1.23 0.00 0.50 2.07 -1.23 0.29 116.25 119.80 1p7m h VAL 68 Ca 0.17 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1p7m h VAL 68 Cb 0.12 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1p7m h VAL 68 CO -0.02 0.32 -0.00 0.00 0.02 0.00 0.00 177.57 177.89 1p7m h ALA 69 N 1.34 1.02 0.00 1.67 0.00 -0.80 0.42 119.26 122.90 1p7m h ALA 69 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p7m h ALA 69 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1p7m h ALA 69 CO 0.01 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 178.52 1p7m n ALA 70 N -2.09 4.02 -2.30 0.00 0.00 0.85 -4.80 120.51 116.18 1p7m n ALA 70 Ca -0.02 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1p7m n ALA 70 Cb 0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.02 3.52 0.40 0.00 -1.94 0.15 -4.98 119.30 113.43 1p7m s MET 71 Ca 0.09 0.97 0.04 0.00 -1.71 0.00 0.00 55.69 55.08 1p7m s MET 71 Cb 0.17 -4.06 0.07 0.00 2.01 0.00 0.00 34.83 33.02 1p7m s MET 71 CO 0.78 -1.64 0.55 0.00 -0.01 0.00 0.00 175.02 174.70 1p7m n GLN 72 N 8.17 0.54 0.10 2.03 10.64 -1.26 -4.87 117.38 132.72 1p7m n GLN 72 Ca 0.17 -1.90 0.06 0.00 -1.83 0.00 0.00 57.00 53.50 1p7m n GLN 72 Cb 0.48 -0.25 0.51 0.00 -0.86 0.00 0.00 30.24 30.12 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 0.33 -0.32 2.61 5.08 -1.99 -2.17 114.58 118.13 1p7m h GLU 73 Ca -0.19 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1p7m h GLU 73 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1p7m h GLU 73 CO 0.24 0.22 0.19 1.49 -1.00 0.00 0.00 179.01 180.15 1p7m h GLU 74 N 0.34 0.39 -0.60 2.33 4.81 -1.99 -0.93 114.58 118.92 1p7m h GLU 74 Ca 0.10 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1p7m h GLU 74 Cb -0.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1p7m h GLU 74 CO -0.02 0.26 0.40 -0.44 -0.73 0.00 0.00 179.01 178.47 1p7m h ASP 75 N 0.40 0.66 -0.66 1.04 3.32 -1.77 -1.46 116.42 117.94 1p7m h ASP 75 Ca 0.12 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1p7m h ASP 75 Cb -0.02 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1p7m h ASP 75 CO -0.05 0.47 0.38 0.58 -1.72 0.00 0.00 179.24 178.90 1p7m h VAL 76 N 0.77 1.01 -0.71 -1.35 2.07 -0.85 -0.26 116.25 116.93 1p7m h VAL 76 Ca 0.23 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1p7m h VAL 76 Cb -0.02 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 1p7m h VAL 76 CO -0.06 0.13 0.47 -0.33 0.02 0.00 0.00 177.57 177.80 1p7m h GLU 77 N 0.72 0.64 -0.78 1.57 5.08 -0.69 0.18 114.58 121.30 1p7m h GLU 77 Ca 0.29 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1p7m h GLU 77 Cb 0.13 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1p7m h GLU 77 CO -0.16 0.42 0.52 -0.09 -1.00 0.00 0.00 179.01 178.70 1p7m h ARG 78 N 0.66 0.97 -0.15 2.33 2.43 -0.92 -2.47 114.38 117.23 1p7m h ARG 78 Ca 0.32 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1p7m h ARG 78 Cb 0.37 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1p7m h ARG 78 CO -0.11 0.64 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.59 1p7m h LEU 79 N 1.00 0.32 -1.35 3.80 3.38 -0.38 -2.98 115.31 119.11 1p7m h LEU 79 Ca 0.30 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p7m h LEU 79 Cb -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1p7m h LEU 79 CO -0.08 0.64 0.35 -0.37 0.09 0.00 0.00 178.44 179.07 1p7m h VAL 80 N 0.27 0.00 0.00 1.22 -1.51 -1.17 0.21 116.25 115.27 1p7m h VAL 80 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1p7m h VAL 80 Cb 0.73 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1p7m h VAL 80 CO 0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 176.36 1p7m n GLN 81 N -2.46 1.88 -3.26 5.19 10.64 -1.13 -4.74 117.38 123.50 1p7m n GLN 81 Ca -0.01 -1.67 -0.44 0.00 -1.83 0.00 0.00 57.00 53.05 1p7m n GLN 81 Cb 0.38 -1.05 -0.07 0.00 -0.86 0.00 0.00 30.24 28.64 1p7m n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1p7m s ASP 82 N -1.45 6.19 0.00 2.61 1.01 0.72 -4.44 116.67 121.31 1p7m s ASP 82 Ca 0.10 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1p7m s ASP 82 Cb 0.08 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1p7m s ASP 82 CO 0.01 -0.79 0.00 0.00 0.21 0.00 0.00 175.17 174.59 1p7m n ALA 83 N 5.72 0.00 -2.67 5.23 0.00 -1.26 -2.77 120.51 124.76 1p7m n ALA 83 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1p7m n ALA 83 Cb 0.44 -0.20 0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.49 0.42 2.46 0.00 0.00 -1.26 -5.00 105.19 100.32 1p7m n GLY 84 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.42 0.00 0.00 -0.61 -5.35 -1.12 -4.93 119.36 103.94 1p7m n ILE 85 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1p7m n ILE 85 Cb 0.53 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 -3.86 0.00 -2.85 7.28 3.06 -1.26 -4.76 119.36 116.97 1p7m n ILE 86 Ca 0.05 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.99 1p7m n ILE 86 Cb 0.20 -0.63 -0.04 0.00 0.54 0.00 0.00 39.64 39.71 1p7m n ILE 86 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1p7m s ARG 87 N 0.00 3.87 0.00 9.51 6.06 -1.26 -4.99 118.95 132.13 1p7m s ARG 87 Ca 0.00 0.60 0.00 0.00 -2.50 0.00 0.00 55.73 53.83 1p7m s ARG 87 Cb 0.00 -2.36 0.00 0.00 0.06 0.00 0.00 34.95 32.65 1p7m s ARG 87 CO 0.00 -0.03 0.00 0.72 -2.50 0.00 0.00 175.30 173.49 1p7m n HIS 88 N -1.11 0.00 0.00 5.12 8.25 -1.26 -4.75 115.22 121.47 1p7m n HIS 88 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1p7m n HIS 88 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1p7m n HIS 88 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1p7m n ARG 89 N -2.16 2.04 0.00 -0.41 0.63 -1.26 -4.55 116.66 110.95 1p7m n ARG 89 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1p7m n ARG 89 Cb 0.49 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.54 1p7m n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1p7m n GLY 90 N 1.92 -0.67 0.27 5.14 0.00 -1.26 -2.74 105.19 107.85 1p7m n GLY 90 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1p7m n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p7m h LYS 91 N 0.00 0.00 0.41 1.61 1.57 -1.92 -2.75 116.57 115.50 1p7m h LYS 91 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1p7m h LYS 91 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1p7m h LYS 91 CO 0.00 0.00 -0.35 0.82 -0.57 0.00 0.00 179.45 179.35 1p7m h ILE 92 N 0.00 0.29 -0.96 1.86 1.08 -1.80 0.49 117.51 118.46 1p7m h ILE 92 Ca 0.00 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 1p7m h ILE 92 Cb 0.01 0.29 -0.08 0.00 -3.07 0.00 0.00 36.82 33.97 1p7m h ILE 92 CO -0.00 0.00 0.63 1.56 -0.69 0.00 0.00 178.15 179.65 1p7m h GLN 93 N -0.76 0.39 -0.33 2.37 4.20 -1.29 1.28 115.11 120.98 1p7m h GLN 93 Ca -0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1p7m h GLN 93 Cb 0.66 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1p7m h GLN 93 CO -0.02 0.26 -0.21 0.00 -0.67 0.00 0.00 178.83 178.18 1p7m h ALA 94 N 1.61 1.01 -0.13 3.87 0.00 -0.86 -2.82 119.26 121.93 1p7m h ALA 94 Ca 0.52 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1p7m h ALA 94 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1p7m h ALA 94 CO -0.21 0.59 -0.42 0.82 0.00 0.00 0.00 179.25 180.02 1p7m h ILE 95 N 0.56 1.31 -0.18 0.00 2.04 0.62 -2.82 117.51 119.04 1p7m h ILE 95 Ca 0.08 -1.56 0.02 0.00 1.00 0.00 0.00 64.86 64.40 1p7m h ILE 95 Cb 0.67 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1p7m h ILE 95 CO 0.05 0.47 0.07 0.40 0.00 0.00 0.00 178.15 179.14 1p7m h ILE 96 N 0.25 0.97 -0.45 -0.67 5.03 -0.72 -1.51 117.51 120.42 1p7m h ILE 96 Ca 0.02 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 1p7m h ILE 96 Cb 0.85 0.79 -0.02 0.00 -3.03 0.00 0.00 36.82 35.41 1p7m h ILE 96 CO 0.07 0.03 0.19 1.23 -0.68 0.00 0.00 178.15 178.99 1p7m h GLY 97 N 0.17 0.68 0.62 5.37 0.00 -1.52 -1.99 103.07 106.39 1p7m h GLY 97 Ca 0.08 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.20 1p7m h GLY 97 CO -0.07 0.30 0.60 3.43 0.00 0.00 0.00 176.54 180.80 1p7m h ASN 98 N 0.63 0.84 -0.29 0.19 -0.26 -1.02 0.90 115.58 116.56 1p7m h ASN 98 Ca 0.16 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.87 1p7m h ASN 98 Cb 0.11 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1p7m h ASN 98 CO -0.02 0.47 -0.05 0.00 -1.06 0.00 0.00 177.43 176.77 1p7m h ALA 99 N 1.55 0.40 -0.65 -0.83 0.00 -1.09 -2.41 119.26 116.24 1p7m h ALA 99 Ca 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p7m h ALA 99 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1p7m h ALA 99 CO -0.21 0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.53 1p7m h ARG 100 N 0.32 0.93 -0.11 0.00 3.08 -1.14 -1.42 114.38 116.06 1p7m h ARG 100 Ca 0.08 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1p7m h ARG 100 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1p7m h ARG 100 CO 0.03 0.75 -0.12 0.00 -1.07 0.00 0.00 179.97 179.55 1p7m h ALA 101 N 1.38 1.60 -0.53 0.04 0.00 -0.68 -1.47 119.26 119.59 1p7m h ALA 101 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1p7m h ALA 101 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1p7m h ALA 101 CO -0.02 0.30 0.30 -0.92 0.00 0.00 0.00 179.25 178.90 1p7m h TYR 102 N 0.16 0.73 -0.35 0.00 3.20 -0.76 -0.40 116.97 119.55 1p7m h TYR 102 Ca 0.03 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1p7m h TYR 102 Cb 0.32 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1p7m h TYR 102 CO 0.00 0.53 0.13 -0.07 -1.64 0.00 0.00 178.16 177.11 1p7m h LEU 103 N 0.71 0.45 -0.87 2.82 -0.00 -1.08 -2.48 115.31 114.86 1p7m h LEU 103 Ca 0.19 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1p7m h LEU 103 Cb 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 1p7m h LEU 103 CO -0.03 0.42 0.15 1.56 -0.00 0.00 0.00 178.44 180.53 1p7m h GLN 104 N 0.50 0.98 -0.53 1.13 4.20 -0.20 -1.77 115.11 119.43 1p7m h GLN 104 Ca 0.12 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1p7m h GLN 104 Cb 0.12 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1p7m h GLN 104 CO -0.01 0.88 0.13 1.98 -0.67 0.00 0.00 178.83 181.14 1p7m h MET 105 N 0.94 0.84 -0.76 1.46 1.85 -0.95 -2.41 114.93 115.89 1p7m h MET 105 Ca 0.20 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1p7m h MET 105 Cb 0.34 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 1p7m h MET 105 CO 0.00 0.79 0.44 1.49 -0.40 0.00 0.00 176.91 179.24 1p7m h GLU 106 N 0.73 1.03 0.00 0.39 4.81 -1.34 0.43 114.58 120.64 1p7m h GLU 106 Ca 0.17 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1p7m h GLU 106 Cb 0.33 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1p7m h GLU 106 CO 0.00 0.73 -0.05 1.96 -0.73 0.00 0.00 179.01 180.93 1p7m h GLN 107 N 1.05 0.00 0.00 1.92 4.20 -0.85 0.61 115.11 122.03 1p7m h GLN 107 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1p7m h GLN 107 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1p7m h GLN 107 CO -0.05 0.05 -0.45 0.09 -0.67 0.00 0.00 178.83 177.80 1p7m n ASN 108 N -3.69 0.46 -1.40 1.46 5.03 0.14 -4.93 115.26 112.33 1p7m n ASN 108 Ca -0.02 -0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.22 1p7m n ASN 108 Cb 0.14 0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 39.00 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p7m n GLY 109 N 1.47 0.19 3.09 7.41 0.00 0.21 -4.98 105.19 112.58 1p7m n GLY 109 Ca 0.05 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.31 1.94 0.27 1.61 2.12 -1.14 -5.03 118.70 114.17 1p7m s GLU 110 Ca 0.00 -1.66 -0.29 0.00 0.36 0.00 0.00 54.97 53.38 1p7m s GLU 110 Cb 0.00 -3.27 -0.14 0.00 0.26 0.00 0.00 34.13 30.98 1p7m s GLU 110 CO 0.00 -0.86 1.10 -2.30 -0.54 0.00 0.00 175.26 172.66 1p7m n PRO 111 N 4.45 1.47 -0.31 4.30 -0.02 -1.26 -4.71 135.00 138.92 1p7m n PRO 111 Ca -0.04 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1p7m n PRO 111 Cb 0.42 -1.96 0.10 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.48 1.02 -0.02 6.00 -1.00 -1.95 -1.51 116.94 121.96 1p7m h PHE 112 Ca -0.41 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.33 1p7m h PHE 112 Cb 1.33 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 1p7m h PHE 112 CO 0.50 0.59 -0.27 0.00 -1.61 0.00 0.00 178.31 177.52 1p7m h ALA 113 N 1.35 1.51 -0.14 2.45 0.00 -1.84 -3.05 119.26 119.54 1p7m h ALA 113 Ca 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p7m h ALA 113 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1p7m h ALA 113 CO -0.11 0.36 0.06 0.22 0.00 0.00 0.00 179.25 179.78 1p7m h ASP 114 N 0.03 0.19 -0.20 0.00 3.58 -1.62 -0.80 116.42 117.61 1p7m h ASP 114 Ca 0.00 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.19 1p7m h ASP 114 Cb 0.50 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1p7m h ASP 114 CO 0.04 0.29 -0.30 2.19 -2.88 0.00 0.00 179.24 178.57 1p7m h PHE 115 N 0.08 0.69 0.40 0.28 -0.00 -1.52 -2.35 116.94 114.52 1p7m h PHE 115 Ca 0.05 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.97 57.76 1p7m h PHE 115 Cb 0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 35.97 1p7m h PHE 115 CO -0.02 0.95 -0.19 -0.24 -0.00 0.00 0.00 178.31 178.81 1p7m h VAL 116 N 0.23 0.56 -0.14 0.88 3.04 -1.55 -1.84 116.25 117.43 1p7m h VAL 116 Ca 0.02 -0.44 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 1p7m h VAL 116 Cb 0.89 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1p7m h VAL 116 CO 0.07 0.08 0.26 -0.50 -1.01 0.00 0.00 177.57 176.47 1p7m h TRP 117 N -0.81 0.00 -0.01 3.17 4.06 -1.24 0.23 115.95 121.36 1p7m h TRP 117 Ca -0.06 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.70 1p7m h TRP 117 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1p7m h TRP 117 CO 0.01 0.00 -0.86 1.03 -3.56 0.00 0.00 178.44 175.06 1p7m h SER 118 N 0.00 0.33 0.06 -3.49 0.87 -0.81 3.05 113.55 113.57 1p7m h SER 118 Ca 0.07 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1p7m h SER 118 Cb 0.59 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1p7m h SER 118 CO -0.00 1.05 -0.21 -0.26 -0.53 0.00 0.00 176.83 176.87 1p7m h PHE 119 N 0.15 0.30 -0.51 2.24 -1.00 0.24 -1.49 116.94 116.87 1p7m h PHE 119 Ca -0.05 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1p7m h PHE 119 Cb 1.48 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.96 1p7m h PHE 119 CO 0.04 0.48 0.00 1.33 -1.61 0.00 0.00 178.31 178.54 1p7m n VAL 120 N -4.19 1.99 -3.53 -0.55 0.24 -1.12 -4.90 118.33 106.27 1p7m n VAL 120 Ca -0.01 -1.09 -0.21 0.00 -2.04 0.00 0.00 64.34 60.99 1p7m n VAL 120 Cb 0.34 -0.16 0.08 0.00 -1.47 0.00 0.00 33.84 32.63 1p7m n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1p7m n ASN 121 N 0.69 -4.71 -1.68 -1.34 5.15 -0.56 -1.51 115.26 111.30 1p7m n ASN 121 Ca 0.23 -0.57 -0.02 0.00 -0.60 0.00 0.00 54.58 53.62 1p7m n ASN 121 Cb 0.93 -5.04 -0.01 0.00 -0.53 0.00 0.00 39.78 35.13 1p7m n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1p7m n HIS 122 N -4.66 -1.34 -4.27 1.20 -0.00 1.02 -4.85 115.22 102.32 1p7m n HIS 122 Ca -0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.39 1p7m n HIS 122 Cb 0.60 -1.26 -0.12 0.00 -0.00 0.00 0.00 29.99 29.21 1p7m n HIS 122 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1p7m s GLN 123 N -3.39 1.08 0.63 1.57 -0.21 -0.57 -5.07 119.66 113.70 1p7m s GLN 123 Ca 0.00 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.05 1p7m s GLN 123 Cb 0.00 -1.24 -0.02 0.00 1.00 0.00 0.00 33.01 32.76 1p7m s GLN 123 CO 0.00 0.28 1.12 -1.25 -2.12 0.00 0.00 175.29 173.31 1p7m s PRO 124 N -2.09 2.95 -0.09 2.91 0.04 -1.26 -4.78 135.00 132.67 1p7m s PRO 124 Ca 0.07 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 1p7m s PRO 124 Cb -0.09 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1p7m s PRO 124 CO 0.04 -1.14 -0.06 -1.14 0.04 0.00 0.00 177.00 174.73 1p7m s GLN 125 N -3.89 2.96 -0.29 4.56 -0.44 0.66 -4.95 119.66 118.28 1p7m s GLN 125 Ca 0.68 -0.55 -0.16 0.00 -2.50 0.00 0.00 55.36 52.84 1p7m s GLN 125 Cb -0.21 -2.66 -0.03 0.00 -1.64 0.00 0.00 33.01 28.47 1p7m s GLN 125 CO 0.38 0.56 0.41 -1.64 0.50 0.00 0.00 175.29 175.50 1p7m s MET 126 N -0.53 3.93 -0.21 1.67 -1.94 -1.26 0.53 119.30 121.48 1p7m s MET 126 Ca 0.08 0.01 -0.21 0.00 -1.71 0.00 0.00 55.69 53.85 1p7m s MET 126 Cb -0.12 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.01 1p7m s MET 126 CO 0.02 -0.36 0.65 0.99 -0.01 0.00 0.00 175.02 176.31 1p7m s THR 127 N 2.14 5.00 -0.43 2.05 2.01 -0.20 -4.93 115.64 121.28 1p7m s THR 127 Ca 0.16 1.22 0.07 0.00 0.31 0.00 0.00 61.69 63.45 1p7m s THR 127 Cb -0.16 -3.96 0.52 0.00 0.01 0.00 0.00 72.50 68.92 1p7m s THR 127 CO 0.10 0.08 1.43 0.00 -0.69 0.00 0.00 174.62 175.55 1p7m n GLN 128 N 5.23 3.09 -2.36 4.92 6.02 -1.26 -4.55 117.38 128.46 1p7m n GLN 128 Ca -0.01 -2.10 -0.41 0.00 -0.01 0.00 0.00 57.00 54.48 1p7m n GLN 128 Cb 0.49 -1.95 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 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 -2.20 3.44 -0.06 -1.58 0.00 -1.26 -4.91 121.76 115.18 1p7m s ALA 129 Ca 0.37 1.01 0.21 0.00 0.00 0.00 0.00 51.96 53.55 1p7m s ALA 129 Cb 0.29 -3.38 -0.32 0.00 0.00 0.00 0.00 23.12 19.71 1p7m s ALA 129 CO 0.10 -0.32 0.40 2.41 0.00 0.00 0.00 175.76 178.35 1p7m n THR 130 N 1.33 0.26 -4.11 0.00 -1.04 -1.25 -2.15 114.28 107.32 1p7m n THR 130 Ca 0.00 -0.57 -0.09 0.00 -2.04 0.00 0.00 64.05 61.35 1p7m n THR 130 Cb 0.44 -0.09 -0.10 0.00 -1.82 0.00 0.00 70.33 68.77 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 -3.33 0.13 0.28 12.58 -4.23 -1.26 -4.62 115.64 115.19 1p7m s THR 131 Ca -0.08 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1p7m s THR 131 Cb 0.12 -1.87 0.27 0.00 1.34 0.00 0.00 72.50 72.37 1p7m s THR 131 CO 0.89 -0.59 1.90 -0.07 -0.54 0.00 0.00 174.62 176.21 1p7m h LEU 132 N 2.91 1.01 -1.61 4.79 3.38 -1.94 0.53 115.31 124.38 1p7m h LEU 132 Ca -0.34 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1p7m h LEU 132 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1p7m h LEU 132 CO 0.60 0.65 -0.20 0.77 0.09 0.00 0.00 178.44 180.35 1p7m h SER 133 N 1.15 0.00 -0.01 -0.43 4.64 -2.00 0.30 113.55 117.20 1p7m h SER 133 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1p7m h SER 133 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1p7m h SER 133 CO -0.16 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 1p7m n GLU 134 N -4.25 1.03 -2.86 4.77 -0.58 0.16 -4.78 120.64 114.13 1p7m n GLU 134 Ca -0.02 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.26 1p7m n GLU 134 Cb 0.27 -1.22 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.99 4.94 0.24 -3.67 1.10 0.09 -4.59 121.20 117.32 1p7m s ILE 135 Ca 0.21 1.77 -0.30 0.00 -0.51 0.00 0.00 60.65 61.83 1p7m s ILE 135 Cb 0.10 -4.19 -0.09 0.00 0.15 0.00 0.00 42.46 38.43 1p7m s ILE 135 CO 0.16 0.18 1.24 -2.16 -2.11 0.00 0.00 174.94 172.25 1p7m s PRO 136 N 1.08 4.46 0.00 3.50 0.04 -1.26 -4.93 135.00 137.89 1p7m s PRO 136 Ca 0.45 2.00 0.17 0.00 0.04 0.00 0.00 61.00 63.66 1p7m s PRO 136 Cb -0.19 -3.18 0.14 0.00 0.04 0.00 0.00 34.50 31.31 1p7m s PRO 136 CO 0.22 -0.10 1.05 0.25 0.04 0.00 0.00 177.00 178.46 1p7m n THR 137 N 1.88 0.01 -3.38 1.26 -2.24 -1.26 -4.77 114.28 105.78 1p7m n THR 137 Ca 0.03 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 1p7m n THR 137 Cb 0.43 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.93 1p7m n THR 137 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1p7m s SER 138 N -1.43 1.42 0.22 3.42 0.15 -1.26 -2.96 113.70 113.26 1p7m s SER 138 Ca 0.20 -1.46 0.06 0.00 0.70 0.00 0.00 55.95 55.45 1p7m s SER 138 Cb 0.14 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1p7m s SER 138 CO 0.22 -0.29 0.20 0.42 1.20 0.00 0.00 173.24 174.98 1p7m s THR 139 N 1.59 4.57 0.28 6.45 -4.23 -1.26 -4.89 115.64 118.15 1p7m s THR 139 Ca 0.15 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1p7m s THR 139 Cb -0.16 -3.42 0.28 0.00 1.34 0.00 0.00 72.50 70.53 1p7m s THR 139 CO -0.09 -0.26 1.82 1.55 -0.54 0.00 0.00 174.62 177.10 1p7m h PRO 140 N 1.77 0.90 -0.12 3.99 0.13 -2.00 1.15 132.00 137.82 1p7m h PRO 140 Ca -0.49 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.37 1p7m h PRO 140 Cb 1.22 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1p7m h PRO 140 CO 0.62 0.60 -0.79 0.00 -0.23 0.00 0.00 178.00 178.19 1p7m h ALA 141 N 1.54 0.26 -0.41 -0.56 0.00 -1.95 -1.61 119.26 116.53 1p7m h ALA 141 Ca 0.49 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1p7m h ALA 141 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1p7m h ALA 141 CO -0.28 0.64 -0.22 0.66 0.00 0.00 0.00 179.25 180.06 1p7m h SER 142 N 0.46 0.84 -0.61 0.00 4.64 -1.51 0.49 113.55 117.86 1p7m h SER 142 Ca -0.06 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1p7m h SER 142 Cb 1.43 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1p7m h SER 142 CO 0.16 1.03 0.10 -0.78 -0.87 0.00 0.00 176.83 176.47 1p7m h ASP 143 N 0.72 0.97 0.60 4.97 3.58 0.13 -1.08 116.42 126.31 1p7m h ASP 143 Ca 0.10 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.16 1p7m h ASP 143 Cb 0.74 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1p7m h ASP 143 CO 0.06 0.98 -0.63 0.00 -2.88 0.00 0.00 179.24 176.77 1p7m h ALA 144 N 1.02 0.95 -0.33 -0.78 0.00 -1.00 -2.80 119.26 116.33 1p7m h ALA 144 Ca 0.19 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1p7m h ALA 144 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1p7m h ALA 144 CO 0.01 0.78 0.09 1.25 0.00 0.00 0.00 179.25 181.38 1p7m h LEU 145 N 0.02 0.49 -0.79 0.00 5.85 0.66 -2.13 115.31 119.41 1p7m h LEU 145 Ca -0.01 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1p7m h LEU 145 Cb 1.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1p7m h LEU 145 CO 0.08 0.58 0.34 0.28 -0.34 0.00 0.00 178.44 179.39 1p7m h SER 146 N 0.38 1.06 -0.83 1.25 0.02 -1.14 -2.25 113.55 112.05 1p7m h SER 146 Ca 0.11 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1p7m h SER 146 Cb 0.27 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1p7m h SER 146 CO -0.00 0.93 0.53 0.50 -1.14 0.00 0.00 176.83 177.65 1p7m h LYS 147 N 1.13 1.10 -0.15 3.45 3.64 -1.22 0.74 116.57 125.26 1p7m h LYS 147 Ca 0.27 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1p7m h LYS 147 Cb 0.18 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1p7m h LYS 147 CO -0.03 0.74 -0.16 0.00 -2.27 0.00 0.00 179.45 177.74 1p7m h ALA 148 N 1.29 0.22 -0.38 5.00 0.00 -1.15 -2.36 119.26 121.89 1p7m h ALA 148 Ca 0.30 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1p7m h ALA 148 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1p7m h ALA 148 CO -0.06 0.11 -0.19 -0.07 0.00 0.00 0.00 179.25 179.04 1p7m h LEU 149 N 0.00 0.73 -0.82 0.00 3.38 -1.19 -1.73 115.31 115.67 1p7m h LEU 149 Ca 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1p7m h LEU 149 Cb 0.69 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1p7m h LEU 149 CO 0.04 0.91 0.51 0.50 0.09 0.00 0.00 178.44 180.49 1p7m h LYS 150 N 0.64 1.10 0.00 1.13 3.64 0.58 0.64 116.57 124.31 1p7m h LYS 150 Ca 0.10 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p7m h LYS 150 Cb 0.67 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1p7m h LYS 150 CO 0.05 0.76 -0.01 0.87 -2.27 0.00 0.00 179.45 178.85 1p7m h LYS 151 N 1.12 0.00 -0.05 1.90 1.57 -1.20 -3.05 116.57 116.87 1p7m h LYS 151 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1p7m h LYS 151 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1p7m h LYS 151 CO -0.06 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.69 1p7m n ARG 152 N -2.56 1.32 -0.51 3.15 3.00 -0.67 -4.85 116.66 115.54 1p7m n ARG 152 Ca 0.05 -0.47 0.00 0.00 -0.00 0.00 0.00 57.85 57.43 1p7m n ARG 152 Cb 0.47 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.53 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 0.99 0.69 3.51 5.14 0.00 -1.12 -4.53 105.19 109.86 1p7m n GLY 153 Ca 0.17 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 3.22 0.73 1.61 0.40 0.14 -4.40 117.98 117.67 1p7m s PHE 154 Ca 0.00 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1p7m s PHE 154 Cb 0.00 -2.60 0.11 0.00 0.51 0.00 0.00 43.02 41.04 1p7m s PHE 154 CO 0.00 -0.47 1.01 0.15 0.70 0.00 0.00 175.22 176.61 1p7m s LYS 155 N 1.84 1.76 -1.10 0.44 -0.14 -1.26 -3.98 119.74 117.29 1p7m s LYS 155 Ca 0.08 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 53.77 1p7m s LYS 155 Cb -0.17 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1p7m s LYS 155 CO 0.11 -1.44 0.85 1.19 -0.76 0.00 0.00 175.35 175.31 1p7m n PHE 156 N -2.91 -2.18 -2.51 3.18 3.72 -1.26 -4.93 117.46 110.57 1p7m n PHE 156 Ca 0.13 0.67 -0.01 0.00 -0.05 0.00 0.00 57.45 58.19 1p7m n PHE 156 Cb 0.60 -3.84 0.05 0.00 -0.94 0.00 0.00 39.48 35.35 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 -3.73 1.09 -0.72 -4.37 0.24 -1.26 -4.30 118.33 105.28 1p7m n VAL 157 Ca -0.09 -2.48 -0.33 0.00 -2.04 0.00 0.00 64.34 59.40 1p7m n VAL 157 Cb 0.61 0.76 0.15 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.30 -2.35 0.30 7.63 0.00 -1.26 -4.31 105.19 104.90 1p7m n GLY 158 Ca 0.12 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.87 0.94 -0.52 2.61 1.35 -1.88 0.18 112.91 113.72 1p7m h THR 159 Ca -0.50 -0.03 -0.12 0.00 -0.55 0.00 0.00 66.41 65.21 1p7m h THR 159 Cb 1.33 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1p7m h THR 159 CO 0.37 0.02 -0.15 0.74 -0.25 0.00 0.00 175.52 176.25 1p7m h THR 160 N 0.09 1.27 -0.33 6.82 2.02 -1.84 0.63 112.91 121.56 1p7m h THR 160 Ca 0.10 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 1p7m h THR 160 Cb 0.28 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1p7m h THR 160 CO -0.01 0.46 -0.05 0.40 0.37 0.00 0.00 175.52 176.68 1p7m h ILE 161 N 0.88 1.27 -0.67 3.11 1.08 -1.06 -1.22 117.51 120.91 1p7m h ILE 161 Ca 0.13 -1.08 -0.06 0.00 -0.39 0.00 0.00 64.86 63.47 1p7m h ILE 161 Cb 0.71 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1p7m h ILE 161 CO 0.05 0.35 0.20 0.00 -0.69 0.00 0.00 178.15 178.07 1p7m h TYR 163 N 0.98 0.70 -0.88 0.00 3.20 -0.75 -2.49 116.97 117.72 1p7m h TYR 163 Ca 0.22 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1p7m h TYR 163 Cb 0.31 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1p7m h TYR 163 CO 0.02 0.69 0.47 0.77 -1.64 0.00 0.00 178.16 178.47 1p7m h SER 164 N 0.51 1.12 -0.77 -2.11 0.02 -0.96 -2.31 113.55 109.05 1p7m h SER 164 Ca 0.12 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1p7m h SER 164 Cb 0.36 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1p7m h SER 164 CO 0.01 0.91 0.43 0.15 -1.14 0.00 0.00 176.83 177.18 1p7m h PHE 165 N 1.24 1.06 -0.30 3.45 3.04 -0.89 -2.62 116.94 121.92 1p7m h PHE 165 Ca 0.31 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.17 1p7m h PHE 165 Cb 0.05 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1p7m h PHE 165 CO 0.01 0.74 -0.12 0.52 -2.02 0.00 0.00 178.31 177.44 1p7m h MET 166 N 1.09 0.52 -0.62 1.11 2.86 -0.98 -1.99 114.93 116.92 1p7m h MET 166 Ca 0.28 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1p7m h MET 166 Cb 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1p7m h MET 166 CO -0.04 0.63 0.22 -0.56 1.06 0.00 0.00 176.91 178.21 1p7m h GLN 167 N 0.48 0.95 0.00 1.72 3.07 -1.25 -3.10 115.11 116.98 1p7m h GLN 167 Ca 0.09 -0.19 -0.12 0.00 0.09 0.00 0.00 58.65 58.52 1p7m h GLN 167 Cb 0.49 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1p7m h GLN 167 CO 0.03 0.82 -0.97 0.00 0.09 0.00 0.00 178.83 178.80 1p7m h ALA 168 N 1.08 0.66 0.00 0.06 0.00 -1.56 -3.32 119.26 116.18 1p7m h ALA 168 Ca 0.20 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1p7m h ALA 168 Cb 0.25 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1p7m h ALA 168 CO -0.01 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.84 1p7m n GLY 170 N -0.49 0.66 0.22 0.00 0.00 -1.22 -3.87 105.19 100.50 1p7m n GLY 170 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.21 -8.49 0.99 3.38 -1.82 -3.44 115.31 106.14 1p7m h LEU 171 Ca 0.00 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 57.42 1p7m h LEU 171 Cb 0.00 -0.06 -0.23 0.00 0.09 0.00 0.00 40.66 40.46 1p7m h LEU 171 CO 0.00 0.46 -0.81 0.68 0.09 0.00 0.00 178.44 178.86 1p7m s VAL 172 N -4.51 1.38 0.34 1.22 -7.23 -1.23 -0.25 120.40 110.12 1p7m s VAL 172 Ca -0.05 -1.30 0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1p7m s VAL 172 Cb 0.15 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 1p7m s VAL 172 CO 0.74 -0.06 0.08 0.20 -0.31 0.00 0.00 175.10 175.75 1p7m s ASN 173 N -1.58 4.44 0.00 4.85 0.02 0.19 -4.85 114.94 118.01 1p7m s ASN 173 Ca 0.03 -0.87 0.00 0.00 -1.02 0.00 0.00 52.86 50.99 1p7m s ASN 173 Cb -0.09 -0.64 0.00 0.00 0.02 0.00 0.00 41.25 40.54 1p7m s ASN 173 CO 0.03 -0.26 0.00 0.47 0.02 0.00 0.00 177.10 177.35 1p7m n ASP 174 N -1.05 -0.97 -0.20 -1.22 8.00 -1.26 -1.03 116.55 118.81 1p7m n ASP 174 Ca -0.04 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.47 1p7m n ASP 174 Cb 0.62 -0.49 0.11 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.31 0.00 1.24 3.86 -1.92 -3.37 115.15 115.27 1p7m h HIS 175 Ca 0.00 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 1p7m h HIS 175 Cb 0.00 -0.04 -0.14 0.00 1.06 0.00 0.00 27.41 28.28 1p7m h HIS 175 CO 0.00 0.03 -0.33 1.33 0.86 0.00 0.00 177.93 179.82 1p7m n VAL 176 N -5.06 0.00 -0.41 2.45 0.24 -1.26 -4.85 118.33 109.44 1p7m n VAL 176 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1p7m n VAL 176 Cb 0.31 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 0.04 0.00 -2.56 3.34 0.31 -0.91 -3.88 118.33 114.67 1p7m n VAL 177 Ca -0.23 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.13 1p7m n VAL 177 Cb 0.72 -0.41 0.02 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.55 1.17 3.55 2.92 0.00 -1.26 -5.02 105.19 105.99 1p7m n GLY 178 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.45 3.35 0.26 0.00 5.04 0.54 -5.06 117.35 121.03 1p7m s TYR 182 Ca 0.00 -1.54 -0.31 0.00 -2.44 0.00 0.00 57.07 52.78 1p7m s TYR 182 Cb 0.00 -3.20 -0.13 0.00 0.35 0.00 0.00 41.96 38.98 1p7m s TYR 182 CO 0.00 -0.90 1.41 -2.30 -1.34 0.00 0.00 175.55 172.43 1p7m n PRO 183 N 4.97 2.14 0.00 4.97 -0.02 -1.26 -4.87 135.00 140.93 1p7m n PRO 183 Ca -0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1p7m n PRO 183 Cb 0.42 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1p7m n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p7m n GLY 184 N 1.93 0.58 0.32 -1.23 0.00 -1.26 -4.76 105.19 100.77 1p7m n GLY 184 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1p7m n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p7m n ASN 185 N 0.00 0.93 -4.77 1.61 3.02 -1.26 -4.88 115.26 109.90 1p7m n ASN 185 Ca 0.00 -1.91 -0.35 0.00 -0.03 0.00 0.00 54.58 52.30 1p7m n ASN 185 Cb 0.00 -0.10 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1p7m n ASN 185 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1p7m s LYS 186 N -1.79 3.30 0.00 3.52 0.00 -1.26 -5.35 119.74 118.16 1p7m s LYS 186 Ca 0.16 1.60 0.00 0.00 0.00 0.00 0.00 55.97 57.73 1p7m s LYS 186 Cb 0.08 -2.00 0.00 0.00 0.00 0.00 0.00 37.83 35.91 1p7m s LYS 186 CO 0.11 -0.89 0.00 -2.30 0.00 0.00 0.00 175.35 172.28