#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 2.72 0.81 0.03 2.12 -1.06 -4.93 118.70 118.38 1p7m s GLU 2 Ca 0.00 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 1p7m s GLU 2 Cb 0.00 -2.57 0.08 0.00 0.26 0.00 0.00 34.13 31.90 1p7m s GLU 2 CO 0.00 0.66 1.09 1.03 -0.54 0.00 0.00 175.26 177.50 1p7m s ARG 3 N -0.81 1.97 0.22 4.30 0.52 -1.26 -3.45 118.95 120.43 1p7m s ARG 3 Ca 0.12 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 56.06 1p7m s ARG 3 Cb -0.11 -1.87 -0.10 0.00 0.52 0.00 0.00 34.95 33.39 1p7m s ARG 3 CO 0.01 -1.81 1.44 0.00 0.02 0.00 0.00 175.30 174.96 1p7m h GLY 5 N 5.53 0.11 1.15 0.00 0.00 -1.98 0.23 103.07 108.11 1p7m h GLY 5 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1p7m h GLY 5 CO 0.81 0.05 0.00 1.87 0.00 0.00 0.00 176.54 179.26 1p7m n TRP 6 N -4.43 0.00 -0.07 5.60 -0.00 -1.26 -2.63 117.44 114.66 1p7m n TRP 6 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.43 1p7m n TRP 6 Cb 0.16 -0.08 -0.14 0.00 -0.00 0.00 0.00 31.31 31.25 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1p7m n VAL 7 N -1.08 0.98 1.07 5.87 0.31 0.78 -4.29 118.33 121.98 1p7m n VAL 7 Ca 0.17 -0.70 0.04 0.00 -0.01 0.00 0.00 64.34 63.85 1p7m n VAL 7 Cb 0.12 -0.41 0.24 0.00 -0.91 0.00 0.00 33.84 32.88 1p7m n VAL 7 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1p7m n SER 8 N -2.57 0.00 -2.19 4.52 7.64 -0.98 -4.60 113.62 115.45 1p7m n SER 8 Ca -0.24 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1p7m n SER 8 Cb 0.97 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1p7m n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p7m n GLN 9 N -0.74 3.25 -0.84 1.43 6.02 -1.26 -4.99 117.38 120.25 1p7m n GLN 9 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 1p7m n GLN 9 Cb 0.03 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.43 1p7m n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p7m n ASP 10 N 0.00 -0.15 -3.87 1.08 8.00 -1.26 -4.98 116.55 115.37 1p7m n ASP 10 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1p7m n ASP 10 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.69 1p7m n ASP 10 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1p7m n PRO 11 N -3.21 0.74 0.00 -0.24 -0.04 -1.26 -3.71 135.00 127.29 1p7m n PRO 11 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1p7m n PRO 11 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1p7m n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1p7m n LEU 12 N 0.00 0.00 -0.10 1.53 4.77 -1.26 -4.38 117.00 117.55 1p7m n LEU 12 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1p7m n LEU 12 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 1p7m n LEU 12 CO 0.00 0.00 0.92 1.88 -1.33 0.00 0.00 177.39 178.86 1p7m h TYR 13 N 0.00 0.80 -0.43 -1.77 0.05 -1.91 -2.70 116.97 111.02 1p7m h TYR 13 Ca 0.00 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.73 1p7m h TYR 13 Cb 0.00 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 1p7m h TYR 13 CO 0.00 0.72 0.18 0.82 -1.05 0.00 0.00 178.16 178.83 1p7m h ILE 14 N 0.73 0.91 -0.06 -2.88 5.03 -1.81 0.59 117.51 120.01 1p7m h ILE 14 Ca 0.15 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.76 1p7m h ILE 14 Cb 0.37 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 34.67 1p7m h ILE 14 CO 0.01 0.07 0.01 0.00 -0.68 0.00 0.00 178.15 177.55 1p7m h ALA 15 N 1.26 0.08 -0.75 1.87 0.00 -1.88 0.38 119.26 120.22 1p7m h ALA 15 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1p7m h ALA 15 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1p7m h ALA 15 CO -0.17 -0.26 0.28 -0.92 0.00 0.00 0.00 179.25 178.18 1p7m h TYR 16 N -0.16 1.15 0.00 0.00 3.20 -1.20 -2.74 116.97 117.22 1p7m h TYR 16 Ca 0.02 -0.09 -0.19 0.00 3.14 0.00 0.00 58.73 61.61 1p7m h TYR 16 Cb 0.31 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1p7m h TYR 16 CO 0.02 0.88 -0.86 1.25 -1.64 0.00 0.00 178.16 177.81 1p7m h HIS 17 N 1.10 0.22 0.00 -3.82 2.76 0.29 -3.21 115.15 112.49 1p7m h HIS 17 Ca 0.25 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1p7m h HIS 17 Cb 0.23 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1p7m h HIS 17 CO 0.02 0.93 0.00 -0.25 -1.30 0.00 0.00 177.93 177.33 1p7m n ASP 18 N -3.64 0.05 0.00 3.26 8.00 0.13 -4.28 116.55 120.07 1p7m n ASP 18 Ca -0.03 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1p7m n ASP 18 Cb 0.80 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1p7m n ASP 18 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1p7m n ASN 19 N -1.55 0.00 0.01 -2.24 0.23 -1.06 -5.02 115.26 105.63 1p7m n ASN 19 Ca 0.05 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1p7m n ASN 19 Cb 0.26 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1p7m n ASN 19 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p7m n GLU 20 N -2.22 0.00 -3.90 -3.83 1.02 -1.25 -4.91 120.64 105.54 1p7m n GLU 20 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1p7m n GLU 20 Cb 0.00 -0.03 0.01 0.00 -0.02 0.00 0.00 31.44 31.40 1p7m n GLU 20 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1p7m n TRP 21 N -2.59 -2.00 -2.56 -0.32 -0.00 -1.26 -1.95 117.44 106.76 1p7m n TRP 21 Ca 0.00 0.84 -0.03 0.00 -0.00 0.00 0.00 57.50 58.32 1p7m n TRP 21 Cb 0.00 -3.93 0.01 0.00 -0.00 0.00 0.00 31.31 27.39 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 -1.68 0.72 0.15 5.87 0.00 0.13 -4.47 105.19 105.92 1p7m n GLY 22 Ca -0.12 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1p7m n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p7m n VAL 23 N -2.58 0.97 -3.83 1.61 0.31 -0.82 -4.26 118.33 109.72 1p7m n VAL 23 Ca -0.00 -0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 63.70 1p7m n VAL 23 Cb 0.51 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.19 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 3.48 0.43 5.55 0.04 -1.26 -4.98 135.00 135.91 1p7m s PRO 24 Ca -0.23 -0.46 -0.25 0.00 0.04 0.00 0.00 61.00 60.10 1p7m s PRO 24 Cb 0.07 -2.92 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 1p7m s PRO 24 CO 0.38 0.48 1.24 -2.00 0.04 0.00 0.00 177.00 177.14 1p7m s GLU 25 N -3.17 3.86 0.17 4.56 2.12 -1.26 -4.45 118.70 120.54 1p7m s GLU 25 Ca 0.36 2.00 0.05 0.00 0.36 0.00 0.00 54.97 57.74 1p7m s GLU 25 Cb -0.11 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1p7m s GLU 25 CO 0.28 -0.53 0.15 0.95 -0.54 0.00 0.00 175.26 175.57 1p7m s THR 26 N -1.37 4.52 0.52 -1.70 -4.23 -1.26 -5.06 115.64 107.06 1p7m s THR 26 Ca 0.60 -1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1p7m s THR 26 Cb -0.34 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1p7m s THR 26 CO 0.43 -0.13 0.75 -1.81 -0.54 0.00 0.00 174.62 173.32 1p7m s ASP 27 N -3.18 5.52 0.34 3.99 1.01 -1.26 -4.84 116.67 118.24 1p7m s ASP 27 Ca 0.31 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.79 1p7m s ASP 27 Cb -0.10 -1.25 0.59 0.00 1.01 0.00 0.00 42.92 43.17 1p7m s ASP 27 CO 0.24 -0.97 2.00 0.28 0.21 0.00 0.00 175.17 176.93 1p7m h SER 28 N 0.15 0.79 -0.53 0.27 0.02 -1.93 -2.95 113.55 109.37 1p7m h SER 28 Ca -0.44 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 1p7m h SER 28 Cb 1.27 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1p7m h SER 28 CO 0.56 0.57 0.01 0.11 -1.14 0.00 0.00 176.83 176.93 1p7m h LYS 29 N 0.93 0.92 -0.75 3.45 1.57 -1.99 -2.99 116.57 117.71 1p7m h LYS 29 Ca 0.25 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1p7m h LYS 29 Cb -0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1p7m h LYS 29 CO -0.06 0.94 0.35 0.87 -0.57 0.00 0.00 179.45 180.98 1p7m h LYS 30 N 0.80 1.08 -0.95 3.15 1.57 -1.91 -1.99 116.57 118.31 1p7m h LYS 30 Ca 0.15 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1p7m h LYS 30 Cb 0.52 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1p7m h LYS 30 CO 0.03 0.84 0.61 -0.07 -0.57 0.00 0.00 179.45 180.28 1p7m h LEU 31 N 1.07 0.93 -0.93 2.94 3.38 -1.49 0.25 115.31 121.45 1p7m h LEU 31 Ca 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1p7m h LEU 31 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1p7m h LEU 31 CO -0.03 0.58 0.57 0.15 0.09 0.00 0.00 178.44 179.80 1p7m h PHE 32 N 1.04 1.22 -0.22 1.13 3.57 -1.32 0.50 116.94 122.87 1p7m h PHE 32 Ca 0.42 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.81 1p7m h PHE 32 Cb 0.27 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1p7m h PHE 32 CO -0.00 0.80 -0.32 0.93 -2.23 0.00 0.00 178.31 177.49 1p7m h GLU 33 N 1.28 0.60 -0.20 1.11 5.08 -0.87 -2.12 114.58 119.47 1p7m h GLU 33 Ca 0.34 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1p7m h GLU 33 Cb -0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1p7m h GLU 33 CO -0.06 0.96 0.07 1.98 -1.00 0.00 0.00 179.01 180.96 1p7m h MET 34 N 0.29 0.31 0.00 2.33 4.05 -0.08 -1.83 114.93 120.00 1p7m h MET 34 Ca 0.02 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1p7m h MET 34 Cb 0.90 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1p7m h MET 34 CO 0.07 0.40 -0.27 0.97 0.23 0.00 0.00 176.91 178.32 1p7m h ILE 35 N 0.16 1.17 0.06 1.77 6.09 -0.05 0.18 117.51 126.90 1p7m h ILE 35 Ca 0.07 -0.92 -0.00 0.00 -1.37 0.00 0.00 64.86 62.63 1p7m h ILE 35 Cb 0.22 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1p7m h ILE 35 CO -0.00 0.26 -0.03 0.00 -3.07 0.00 0.00 178.15 175.31 1p7m h LEU 37 N -0.55 0.83 -1.23 0.00 4.07 -1.20 -2.89 115.31 114.34 1p7m h LEU 37 Ca -0.01 -0.41 -0.03 0.00 0.08 0.00 0.00 57.88 57.51 1p7m h LEU 37 Cb 0.48 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1p7m h LEU 37 CO 0.01 1.05 0.17 -0.08 -1.08 0.00 0.00 178.44 178.52 1p7m h GLU 38 N 0.60 0.71 -0.38 1.13 4.57 -0.66 -1.28 114.58 119.26 1p7m h GLU 38 Ca 0.08 -0.11 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1p7m h GLU 38 Cb 0.75 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1p7m h GLU 38 CO 0.06 0.60 0.32 0.78 -1.18 0.00 0.00 179.01 179.59 1p7m h GLY 39 N 0.86 0.00 2.00 1.92 0.00 -0.72 0.52 103.07 107.65 1p7m h GLY 39 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1p7m h GLY 39 CO -0.01 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.35 1p7m n GLN 40 N -4.12 0.16 0.00 4.80 -0.06 -0.49 -3.48 117.38 114.19 1p7m n GLN 40 Ca 0.06 0.14 0.00 0.00 -2.00 0.00 0.00 57.00 55.21 1p7m n GLN 40 Cb 0.50 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1p7m n GLN 40 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1p7m n GLN 41 N -1.96 0.74 -2.05 3.69 1.13 0.18 -4.33 117.38 114.78 1p7m n GLN 41 Ca 0.06 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 1p7m n GLN 41 Cb 0.38 -1.07 -0.03 0.00 0.11 0.00 0.00 30.24 29.64 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 -1.82 3.11 0.00 -1.58 0.00 -1.23 -2.84 121.76 117.41 1p7m s ALA 42 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1p7m s ALA 42 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1p7m s ALA 42 CO 0.00 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.95 1p7m n GLY 43 N 4.98 0.00 3.72 0.00 0.00 -1.26 -4.89 105.19 107.74 1p7m n GLY 43 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1p7m n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p7m s LEU 44 N 0.00 3.65 0.78 0.99 2.96 -1.13 -5.09 118.68 120.83 1p7m s LEU 44 Ca 0.00 0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.82 1p7m s LEU 44 Cb 0.00 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.64 1p7m s LEU 44 CO 0.00 0.27 1.15 -0.44 -1.32 0.00 0.00 176.35 176.02 1p7m s SER 45 N -1.65 4.03 0.06 3.68 0.01 -1.26 -4.59 113.70 113.98 1p7m s SER 45 Ca 0.21 2.15 -0.17 0.00 1.31 0.00 0.00 55.95 59.45 1p7m s SER 45 Cb -0.12 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.42 1p7m s SER 45 CO 0.12 -2.36 1.33 -0.25 0.41 0.00 0.00 173.24 172.49 1p7m h TRP 46 N -0.86 0.69 -0.08 2.43 2.91 -1.95 -2.96 115.95 116.14 1p7m h TRP 46 Ca -0.45 -0.24 0.02 0.00 1.13 0.00 0.00 58.89 59.34 1p7m h TRP 46 Cb 1.27 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1p7m h TRP 46 CO 0.51 0.97 0.07 0.82 -1.03 0.00 0.00 178.44 179.78 1p7m h ILE 47 N 0.22 0.68 -0.75 2.65 1.08 -2.01 -0.87 117.51 118.52 1p7m h ILE 47 Ca 0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.43 1p7m h ILE 47 Cb 0.92 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 1p7m h ILE 47 CO 0.07 0.00 0.25 0.74 -0.69 0.00 0.00 178.15 178.52 1p7m h THR 48 N 0.00 1.26 0.00 -0.27 2.02 -1.89 -2.22 112.91 111.81 1p7m h THR 48 Ca 0.04 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1p7m h THR 48 Cb 0.17 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1p7m h THR 48 CO -0.00 0.35 -0.43 -0.37 0.37 0.00 0.00 175.52 175.44 1p7m h VAL 49 N 1.10 1.19 -0.24 3.16 -1.51 -1.20 -2.76 116.25 116.00 1p7m h VAL 49 Ca 0.24 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1p7m h VAL 49 Cb 0.29 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1p7m h VAL 49 CO -0.01 0.42 0.12 0.25 -1.23 0.00 0.00 177.57 177.12 1p7m h LEU 50 N 0.00 0.30 -0.52 4.19 6.46 -1.17 0.64 115.31 125.22 1p7m h LEU 50 Ca -0.00 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1p7m h LEU 50 Cb 0.82 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1p7m h LEU 50 CO 0.06 0.33 0.24 0.11 -0.62 0.00 0.00 178.44 178.56 1p7m h LYS 51 N 0.26 0.46 -0.27 1.25 6.56 -1.34 0.22 116.57 123.70 1p7m h LYS 51 Ca 0.08 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1p7m h LYS 51 Cb 0.10 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1p7m h LYS 51 CO -0.01 0.30 0.18 -0.22 -2.06 0.00 0.00 179.45 177.64 1p7m h LYS 52 N 0.47 0.34 -0.60 3.15 3.64 -1.06 -2.08 116.57 120.44 1p7m h LYS 52 Ca 0.23 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1p7m h LYS 52 Cb 0.17 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1p7m h LYS 52 CO -0.18 0.23 0.27 -0.09 -2.27 0.00 0.00 179.45 177.41 1p7m h ARG 53 N 0.35 0.48 -0.18 1.90 2.43 0.36 1.76 114.38 121.49 1p7m h ARG 53 Ca 0.10 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1p7m h ARG 53 Cb -0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1p7m h ARG 53 CO -0.02 0.32 -0.10 1.49 -1.51 0.00 0.00 179.97 180.14 1p7m h GLU 54 N 0.50 0.39 -0.34 0.20 4.81 -1.17 -2.85 114.58 116.11 1p7m h GLU 54 Ca 0.29 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1p7m h GLU 54 Cb 0.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1p7m h GLU 54 CO -0.24 0.70 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.81 1p7m h ASN 55 N 0.06 0.51 -0.82 1.04 2.35 -1.09 -2.26 115.58 115.38 1p7m h ASN 55 Ca 0.04 -0.10 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1p7m h ASN 55 Cb 0.60 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1p7m h ASN 55 CO 0.03 0.60 0.49 0.22 -1.65 0.00 0.00 177.43 177.11 1p7m h TYR 56 N 0.51 0.90 -0.65 1.19 3.20 0.28 0.12 116.97 122.52 1p7m h TYR 56 Ca 0.11 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1p7m h TYR 56 Cb 0.37 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1p7m h TYR 56 CO 0.01 0.43 0.22 0.00 -1.64 0.00 0.00 178.16 177.19 1p7m h ARG 57 N 0.88 0.98 -0.49 1.82 2.47 -1.19 -0.09 114.38 118.76 1p7m h ARG 57 Ca 0.37 -0.18 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 1p7m h ARG 57 Cb 0.22 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1p7m h ARG 57 CO -0.19 0.83 -0.08 0.00 0.56 0.00 0.00 179.97 181.09 1p7m h ALA 58 N 1.28 0.67 -0.02 0.04 0.00 -0.85 1.04 119.26 121.42 1p7m h ALA 58 Ca 0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1p7m h ALA 58 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p7m h ALA 58 CO -0.01 0.55 -0.44 0.00 0.00 0.00 0.00 179.25 179.34 1p7m h PHE 60 N -0.20 0.22 0.00 0.00 0.04 -1.06 -3.47 116.94 112.46 1p7m h PHE 60 Ca -0.05 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1p7m h PHE 60 Cb 1.15 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1p7m h PHE 60 CO 0.15 1.62 0.00 1.58 -0.60 0.00 0.00 178.31 181.06 1p7m n HIS 61 N -4.03 0.00 0.11 -0.55 -0.00 0.36 -3.92 115.22 107.20 1p7m n HIS 61 Ca -0.32 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.65 1p7m n HIS 61 Cb 0.84 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.56 1p7m n HIS 61 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1p7m h GLN 62 N 0.00 0.41 -1.91 1.57 1.08 -1.90 -3.46 115.11 110.89 1p7m h GLN 62 Ca 0.00 -0.69 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 1p7m h GLN 62 Cb 0.00 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1p7m h GLN 62 CO 0.00 1.32 0.00 1.97 -0.95 0.00 0.00 178.83 181.17 1p7m n PHE 63 N -3.61 -0.89 -3.29 2.96 -1.74 -1.25 -4.83 117.46 104.80 1p7m n PHE 63 Ca -0.15 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.36 1p7m n PHE 63 Cb 1.07 -0.79 -0.06 0.00 1.52 0.00 0.00 39.48 41.22 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1p7m s ASP 64 N -0.89 6.77 0.22 5.98 1.11 -1.26 -4.94 116.67 123.65 1p7m s ASP 64 Ca 0.00 0.92 -0.13 0.00 0.18 0.00 0.00 52.55 53.52 1p7m s ASP 64 Cb 0.00 -2.31 0.27 0.00 1.07 0.00 0.00 42.92 41.95 1p7m s ASP 64 CO 0.00 0.04 1.37 -2.65 1.18 0.00 0.00 175.17 175.11 1p7m n PRO 65 N 3.33 -0.17 -0.12 8.23 -0.02 -1.26 -0.94 135.00 144.05 1p7m n PRO 65 Ca -0.07 1.36 -0.10 0.00 -2.02 0.00 0.00 63.50 62.67 1p7m n PRO 65 Cb 0.52 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.23 -0.68 -1.45 2.07 -1.93 -1.77 116.25 113.72 1p7m h VAL 66 Ca 0.34 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1p7m h VAL 66 Cb 0.56 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1p7m h VAL 66 CO -0.88 0.28 0.17 0.11 0.02 0.00 0.00 177.57 177.27 1p7m h LYS 67 N 0.43 1.09 -0.65 1.57 1.79 -1.56 -2.30 116.57 116.93 1p7m h LYS 67 Ca 0.11 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1p7m h LYS 67 Cb 0.35 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1p7m h LYS 67 CO 0.01 0.96 0.24 0.28 -1.08 0.00 0.00 179.45 179.86 1p7m h VAL 68 N 1.02 1.24 0.00 0.50 2.07 -0.90 0.23 116.25 120.41 1p7m h VAL 68 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1p7m h VAL 68 Cb 0.36 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1p7m h VAL 68 CO 0.00 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1p7m n ALA 69 N -2.39 1.43 0.58 1.67 0.00 -0.68 -0.87 120.51 120.24 1p7m n ALA 69 Ca 0.04 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1p7m n ALA 69 Cb 0.19 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.40 1p7m n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p7m n ALA 70 N -1.72 3.26 -2.60 0.00 0.00 0.69 -4.76 120.51 115.38 1p7m n ALA 70 Ca 0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 1p7m n ALA 70 Cb 0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.18 3.80 0.51 0.00 -1.94 -0.05 -5.02 119.30 113.42 1p7m s MET 71 Ca 0.05 0.59 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 1p7m s MET 71 Cb 0.14 -3.83 0.09 0.00 2.01 0.00 0.00 34.83 33.24 1p7m s MET 71 CO 0.77 -1.07 0.70 0.00 -0.01 0.00 0.00 175.02 175.41 1p7m n GLN 72 N 7.06 0.40 -0.22 2.03 10.64 -1.26 -4.87 117.38 131.16 1p7m n GLN 72 Ca 0.09 -2.32 0.08 0.00 -1.83 0.00 0.00 57.00 53.02 1p7m n GLN 72 Cb 0.48 -0.34 0.36 0.00 -0.86 0.00 0.00 30.24 29.88 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 0.73 -0.20 2.61 5.08 -1.96 0.19 114.58 121.03 1p7m h GLU 73 Ca -0.23 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1p7m h GLU 73 Cb 0.98 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1p7m h GLU 73 CO 0.29 0.48 0.04 1.49 -1.00 0.00 0.00 179.01 180.31 1p7m h GLU 74 N 0.75 0.11 -0.60 2.33 4.81 -2.00 0.20 114.58 120.18 1p7m h GLU 74 Ca 0.36 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1p7m h GLU 74 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1p7m h GLU 74 CO -0.14 0.08 0.40 0.22 -0.73 0.00 0.00 179.01 178.84 1p7m h ASP 75 N 0.12 0.64 -0.71 1.04 1.82 -1.38 -0.02 116.42 117.92 1p7m h ASP 75 Ca 0.09 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1p7m h ASP 75 Cb 0.08 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 39.90 1p7m h ASP 75 CO -0.12 0.45 0.44 0.58 -1.61 0.00 0.00 179.24 178.99 1p7m h VAL 76 N 0.75 1.20 -0.99 2.25 2.07 0.63 -0.48 116.25 121.67 1p7m h VAL 76 Ca 0.23 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1p7m h VAL 76 Cb 0.01 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 1p7m h VAL 76 CO -0.06 0.20 0.65 -0.33 0.02 0.00 0.00 177.57 178.06 1p7m h GLU 77 N 0.99 1.24 -0.23 1.57 5.08 0.36 0.32 114.58 123.90 1p7m h GLU 77 Ca 0.26 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1p7m h GLU 77 Cb -0.06 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1p7m h GLU 77 CO -0.05 0.82 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.55 1p7m h ARG 78 N 1.28 0.39 -0.19 2.33 2.43 -0.90 -2.70 114.38 117.02 1p7m h ARG 78 Ca 0.39 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1p7m h ARG 78 Cb -0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1p7m h ARG 78 CO -0.11 0.53 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.41 1p7m h LEU 79 N 0.36 0.46 -1.79 3.80 3.38 0.05 -1.52 115.31 120.05 1p7m h LEU 79 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1p7m h LEU 79 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1p7m h LEU 79 CO 0.03 0.82 0.17 0.58 0.09 0.00 0.00 178.44 180.13 1p7m h VAL 80 N 0.36 0.00 0.00 1.22 2.07 -0.97 0.72 116.25 119.65 1p7m h VAL 80 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1p7m h VAL 80 Cb 0.87 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1p7m h VAL 80 CO 0.07 0.00 -1.24 0.00 0.02 0.00 0.00 177.57 176.42 1p7m n GLN 81 N -2.56 1.18 -2.60 1.57 1.13 -0.76 -4.44 117.38 110.90 1p7m n GLN 81 Ca -0.02 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.54 1p7m n GLN 81 Cb 0.21 -1.20 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 1p7m n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1p7m s ASP 82 N -2.95 6.62 0.00 1.08 1.01 0.25 -3.65 116.67 119.03 1p7m s ASP 82 Ca -0.02 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1p7m s ASP 82 Cb 0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1p7m s ASP 82 CO 0.46 -1.27 0.00 0.00 0.21 0.00 0.00 175.17 174.57 1p7m n ALA 83 N 7.89 0.00 -3.10 5.23 0.00 -1.26 -3.43 120.51 125.84 1p7m n ALA 83 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1p7m n ALA 83 Cb 0.49 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 0.01 0.00 0.00 0.00 -1.24 -4.99 105.19 97.24 1p7m n GLY 84 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.74 0.00 -1.55 -0.61 -5.35 -1.22 -4.50 119.36 102.38 1p7m n ILE 85 Ca -0.04 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.10 1p7m n ILE 85 Cb 0.56 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 1p7m n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p7m s ILE 86 N -0.38 3.00 -0.21 7.28 1.01 -1.26 -4.82 121.20 125.83 1p7m s ILE 86 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 60.65 60.30 1p7m s ILE 86 Cb 0.00 -3.01 -0.12 0.00 0.01 0.00 0.00 42.46 39.34 1p7m s ILE 86 CO 0.00 -0.01 1.95 -2.11 0.00 0.00 0.00 174.94 174.78 1p7m n ARG 87 N 8.99 1.64 0.00 2.79 1.85 -1.26 -4.71 116.66 125.96 1p7m n ARG 87 Ca 0.38 0.57 0.00 0.00 -1.00 0.00 0.00 57.85 57.80 1p7m n ARG 87 Cb 0.54 -2.51 0.00 0.00 -1.05 0.00 0.00 32.46 29.44 1p7m n ARG 87 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1p7m n HIS 88 N 7.52 0.00 -0.32 2.89 8.25 -1.26 -5.02 115.22 127.28 1p7m n HIS 88 Ca 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.94 1p7m n HIS 88 Cb 0.25 0.00 0.39 0.00 1.12 0.00 0.00 29.99 31.75 1p7m n HIS 88 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1p7m h ARG 89 N 0.00 0.22 -0.53 -0.41 0.11 -1.92 0.25 114.38 112.10 1p7m h ARG 89 Ca 0.00 -0.01 0.10 0.00 0.10 0.00 0.00 59.98 60.17 1p7m h ARG 89 Cb 0.00 -0.05 -0.11 0.00 1.11 0.00 0.00 29.97 30.92 1p7m h ARG 89 CO 0.00 0.14 -0.22 0.78 0.10 0.00 0.00 179.97 180.77 1p7m h GLY 90 N 0.22 0.15 0.90 0.08 0.00 -1.97 0.83 103.07 103.28 1p7m h GLY 90 Ca 0.66 0.29 -0.04 0.00 0.00 0.00 0.00 47.33 48.24 1p7m h GLY 90 CO -0.67 -0.22 0.05 0.50 0.00 0.00 0.00 176.54 176.21 1p7m h LYS 91 N -0.10 0.52 -0.55 4.80 1.57 -0.94 -2.86 116.57 119.00 1p7m h LYS 91 Ca 0.24 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1p7m h LYS 91 Cb 0.48 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1p7m h LYS 91 CO -0.59 0.61 0.34 0.82 -0.57 0.00 0.00 179.45 180.06 1p7m h ILE 92 N 0.35 1.16 -0.89 1.86 1.08 -0.29 -2.23 117.51 118.54 1p7m h ILE 92 Ca 0.10 -0.36 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1p7m h ILE 92 Cb 0.35 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 1p7m h ILE 92 CO 0.01 0.17 0.58 1.56 -0.69 0.00 0.00 178.15 179.77 1p7m h GLN 93 N 0.75 0.93 -0.49 2.37 4.20 0.70 -0.51 115.11 123.06 1p7m h GLN 93 Ca 0.20 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1p7m h GLN 93 Cb -0.03 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1p7m h GLN 93 CO -0.04 0.62 0.14 0.00 -0.67 0.00 0.00 178.83 178.88 1p7m h ALA 94 N 1.53 1.34 -0.96 3.87 0.00 -1.18 -1.42 119.26 122.43 1p7m h ALA 94 Ca 0.40 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1p7m h ALA 94 Cb 0.29 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1p7m h ALA 94 CO -0.16 0.48 0.63 0.82 0.00 0.00 0.00 179.25 181.02 1p7m h ILE 95 N 0.71 1.15 -0.41 0.00 1.08 -0.82 -1.73 117.51 117.48 1p7m h ILE 95 Ca 0.16 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1p7m h ILE 95 Cb 0.22 -0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 33.80 1p7m h ILE 95 CO -0.01 0.22 0.24 0.40 -0.69 0.00 0.00 178.15 178.32 1p7m h ILE 96 N 1.19 1.05 0.00 -0.67 1.08 -1.03 -1.46 117.51 117.67 1p7m h ILE 96 Ca 0.39 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.64 1p7m h ILE 96 Cb 0.05 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1p7m h ILE 96 CO -0.13 0.09 -0.26 1.23 -0.69 0.00 0.00 178.15 178.40 1p7m h GLY 97 N 0.50 0.00 1.04 5.37 0.00 -1.21 -2.64 103.07 106.12 1p7m h GLY 97 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1p7m h GLY 97 CO -0.07 0.00 0.27 3.43 0.00 0.00 0.00 176.54 180.17 1p7m h ASN 98 N 0.00 1.05 -0.01 0.19 -0.26 -0.42 0.48 115.58 116.61 1p7m h ASN 98 Ca -0.00 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1p7m h ASN 98 Cb 0.49 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1p7m h ASN 98 CO 0.03 0.95 -0.00 0.00 -1.06 0.00 0.00 177.43 177.35 1p7m h ALA 99 N 1.14 0.01 -0.89 -0.83 0.00 -1.22 -1.82 119.26 115.64 1p7m h ALA 99 Ca 0.24 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1p7m h ALA 99 Cb 0.25 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1p7m h ALA 99 CO -0.02 -0.29 0.58 -0.09 0.00 0.00 0.00 179.25 179.43 1p7m h ARG 100 N -0.36 0.85 0.00 0.00 2.43 -1.36 0.39 114.38 116.34 1p7m h ARG 100 Ca 0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1p7m h ARG 100 Cb 0.39 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1p7m h ARG 100 CO 0.00 0.56 -0.26 0.00 -1.51 0.00 0.00 179.97 178.76 1p7m h ALA 101 N 1.56 1.52 -0.53 2.80 0.00 -0.64 -1.11 119.26 122.86 1p7m h ALA 101 Ca 0.42 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1p7m h ALA 101 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1p7m h ALA 101 CO -0.18 0.33 0.10 -0.92 0.00 0.00 0.00 179.25 178.57 1p7m h TYR 102 N 0.00 0.93 -0.29 0.00 3.20 0.62 -0.99 116.97 120.44 1p7m h TYR 102 Ca -0.00 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 1p7m h TYR 102 Cb 0.47 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1p7m h TYR 102 CO 0.00 0.82 0.04 -0.07 -1.64 0.00 0.00 178.16 177.31 1p7m h LEU 103 N 0.77 0.39 -1.16 2.82 -0.00 -0.71 -1.59 115.31 115.83 1p7m h LEU 103 Ca 0.16 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1p7m h LEU 103 Cb 0.39 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 1p7m h LEU 103 CO 0.01 0.43 0.21 1.56 -0.00 0.00 0.00 178.44 180.65 1p7m h GLN 104 N 0.42 0.80 -0.22 1.13 4.20 0.00 -1.69 115.11 119.75 1p7m h GLN 104 Ca 0.10 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1p7m h GLN 104 Cb 0.22 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1p7m h GLN 104 CO 0.00 0.67 0.13 1.98 -0.67 0.00 0.00 178.83 180.94 1p7m h MET 105 N 0.79 0.30 -0.68 1.46 4.05 -0.62 -1.48 114.93 118.76 1p7m h MET 105 Ca 0.19 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.64 1p7m h MET 105 Cb 0.17 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1p7m h MET 105 CO -0.02 0.25 0.45 1.49 0.23 0.00 0.00 176.91 179.31 1p7m h GLU 106 N 0.27 0.67 0.00 0.39 4.81 -1.20 1.77 114.58 121.29 1p7m h GLU 106 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1p7m h GLU 106 Cb 0.03 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1p7m h GLU 106 CO -0.01 0.45 -0.03 1.96 -0.73 0.00 0.00 179.01 180.64 1p7m h GLN 107 N 0.69 0.00 0.00 1.92 1.08 -0.39 0.66 115.11 119.07 1p7m h GLN 107 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1p7m h GLN 107 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1p7m h GLN 107 CO -0.09 0.03 -1.04 -1.71 -0.95 0.00 0.00 178.83 175.07 1p7m n ASN 108 N -3.53 0.70 -1.38 1.46 2.85 0.55 -4.94 115.26 110.97 1p7m n ASN 108 Ca -0.02 0.16 -0.13 0.00 -0.11 0.00 0.00 54.58 54.48 1p7m n ASN 108 Cb 0.13 0.61 -0.02 0.00 1.24 0.00 0.00 39.78 41.74 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 1.25 0.21 3.17 8.20 0.00 0.23 -4.98 105.19 113.27 1p7m n GLY 109 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1p7m n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p7m s GLU 110 N -4.28 2.37 0.30 1.61 2.02 -1.16 -5.00 118.70 114.56 1p7m s GLU 110 Ca 0.00 -1.34 -0.28 0.00 0.02 0.00 0.00 54.97 53.37 1p7m s GLU 110 Cb 0.00 -3.25 -0.14 0.00 0.10 0.00 0.00 34.13 30.85 1p7m s GLU 110 CO 0.00 -0.68 1.10 -2.30 0.02 0.00 0.00 175.26 173.40 1p7m n PRO 111 N 4.63 1.59 -0.28 0.39 -0.02 -1.26 -4.71 135.00 135.33 1p7m n PRO 111 Ca -0.11 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1p7m n PRO 111 Cb 0.43 -2.00 0.33 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.23 0.91 0.00 6.00 -1.00 -1.93 0.25 116.94 123.40 1p7m h PHE 112 Ca -0.42 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.30 1p7m h PHE 112 Cb 1.32 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 1p7m h PHE 112 CO 0.49 0.38 -0.45 0.00 -1.61 0.00 0.00 178.31 177.12 1p7m h ALA 113 N 1.58 1.09 -0.41 2.45 0.00 -1.83 -3.01 119.26 119.14 1p7m h ALA 113 Ca 0.43 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1p7m h ALA 113 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1p7m h ALA 113 CO -0.20 0.56 0.17 0.22 0.00 0.00 0.00 179.25 180.00 1p7m h ASP 114 N 0.00 0.55 0.09 0.00 1.82 -1.28 -1.80 116.42 115.80 1p7m h ASP 114 Ca -0.00 -0.15 -0.28 0.00 -0.39 0.00 0.00 57.03 56.20 1p7m h ASP 114 Cb 0.89 -0.14 0.03 0.00 0.68 0.00 0.00 39.33 40.78 1p7m h ASP 114 CO 0.06 0.56 -1.15 2.19 -1.61 0.00 0.00 179.24 179.29 1p7m h PHE 115 N 0.51 0.98 -0.09 0.28 -0.00 -1.54 -1.96 116.94 115.11 1p7m h PHE 115 Ca 0.14 -0.60 -0.01 0.00 -0.00 0.00 0.00 57.97 57.50 1p7m h PHE 115 Cb 0.17 -0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 36.03 1p7m h PHE 115 CO -0.00 1.44 0.04 -0.39 -0.00 0.00 0.00 178.31 179.39 1p7m h VAL 116 N 0.25 1.14 0.00 0.88 -1.51 -1.55 -0.47 116.25 115.00 1p7m h VAL 116 Ca -0.17 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1p7m h VAL 116 Cb 1.82 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1p7m h VAL 116 CO 0.22 0.13 -0.02 -0.50 -1.23 0.00 0.00 177.57 176.16 1p7m h TRP 117 N -0.01 0.00 -0.20 5.19 4.06 -1.41 -1.99 115.95 121.59 1p7m h TRP 117 Ca 0.03 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1p7m h TRP 117 Cb 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1p7m h TRP 117 CO -0.02 0.02 -0.24 1.03 -3.56 0.00 0.00 178.44 175.68 1p7m h SER 118 N 0.00 0.56 0.03 -3.49 0.87 -0.30 2.82 113.55 114.04 1p7m h SER 118 Ca -0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 1p7m h SER 118 Cb 0.08 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1p7m h SER 118 CO 0.00 0.94 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.94 1p7m h PHE 119 N 0.18 0.04 -0.50 2.24 0.04 -0.58 0.11 116.94 118.47 1p7m h PHE 119 Ca 0.03 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1p7m h PHE 119 Cb 0.80 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1p7m h PHE 119 CO 0.08 0.08 0.00 1.55 -0.60 0.00 0.00 178.31 179.42 1p7m n VAL 120 N -4.47 2.08 -3.70 -0.55 3.14 -1.13 -4.73 118.33 108.97 1p7m n VAL 120 Ca -0.02 -1.11 -0.25 0.00 -2.96 0.00 0.00 64.34 59.99 1p7m n VAL 120 Cb 0.14 -0.21 0.06 0.00 -1.06 0.00 0.00 33.84 32.77 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1p7m n ASN 121 N 0.64 -4.76 -1.56 6.55 3.02 0.40 -1.41 115.26 118.13 1p7m n ASN 121 Ca 0.23 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1p7m n ASN 121 Cb 0.96 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 1p7m n ASN 121 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1p7m n HIS 122 N -4.72 -1.32 -4.02 3.10 8.25 0.94 -4.82 115.22 112.64 1p7m n HIS 122 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 1p7m n HIS 122 Cb 0.57 -0.88 -0.16 0.00 1.12 0.00 0.00 29.99 30.65 1p7m n HIS 122 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1p7m s GLN 123 N -3.07 2.08 0.61 -0.41 -1.52 -0.50 -5.08 119.66 111.77 1p7m s GLN 123 Ca 0.00 -1.05 -0.18 0.00 -1.95 0.00 0.00 55.36 52.18 1p7m s GLN 123 Cb 0.00 -2.63 -0.06 0.00 -0.22 0.00 0.00 33.01 30.10 1p7m s GLN 123 CO 0.00 -0.50 0.74 -2.30 -0.25 0.00 0.00 175.29 172.98 1p7m n PRO 124 N 4.59 0.64 -4.74 2.91 -0.02 -1.26 -4.93 135.00 132.19 1p7m n PRO 124 Ca -0.14 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1p7m n PRO 124 Cb 0.45 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 1p7m n PRO 124 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1p7m s GLN 125 N -2.51 2.37 -0.11 -0.52 -0.44 -0.05 -4.96 119.66 113.43 1p7m s GLN 125 Ca 0.72 -0.80 -0.19 0.00 -2.50 0.00 0.00 55.36 52.60 1p7m s GLN 125 Cb -0.42 -2.33 -0.04 0.00 -1.64 0.00 0.00 33.01 28.58 1p7m s GLN 125 CO 0.51 0.59 0.50 -1.64 0.50 0.00 0.00 175.29 175.75 1p7m s MET 126 N -1.09 4.35 -0.16 1.67 -1.94 -1.26 -0.24 119.30 120.62 1p7m s MET 126 Ca 0.14 0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 54.49 1p7m s MET 126 Cb -0.11 -3.43 -0.05 0.00 2.01 0.00 0.00 34.83 33.25 1p7m s MET 126 CO 0.03 0.16 -0.21 2.41 -0.01 0.00 0.00 175.02 177.40 1p7m n THR 127 N 3.64 1.45 -3.56 2.05 -1.04 -0.52 -4.92 114.28 111.38 1p7m n THR 127 Ca -0.06 0.15 -0.22 0.00 -2.04 0.00 0.00 64.05 61.88 1p7m n THR 127 Cb 0.52 -2.34 0.08 0.00 -1.82 0.00 0.00 70.33 66.77 1p7m n THR 127 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p7m n GLN 128 N -4.54 -7.18 -2.19 -2.82 6.02 -1.25 -4.97 117.38 100.45 1p7m n GLN 128 Ca -0.13 0.81 -0.32 0.00 -0.01 0.00 0.00 57.00 57.36 1p7m n GLN 128 Cb 0.39 -5.82 -0.02 0.00 1.02 0.00 0.00 30.24 25.82 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 -3.35 3.03 -0.77 -1.58 0.00 -0.20 -4.86 121.76 114.04 1p7m s ALA 129 Ca 0.34 0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.66 1p7m s ALA 129 Cb -0.15 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 20.05 1p7m s ALA 129 CO 0.74 -0.45 1.18 2.41 0.00 0.00 0.00 175.76 179.64 1p7m n THR 130 N -2.00 0.13 -3.87 0.00 -1.04 -1.26 -2.34 114.28 103.90 1p7m n THR 130 Ca 0.07 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.90 1p7m n THR 130 Cb 0.54 0.25 0.02 0.00 -1.82 0.00 0.00 70.33 69.31 1p7m n THR 130 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1p7m n THR 131 N -1.80 0.00 -0.07 12.58 5.66 -1.26 -4.82 114.28 124.57 1p7m n THR 131 Ca 0.03 -0.53 -0.04 0.00 -3.05 0.00 0.00 64.05 60.46 1p7m n THR 131 Cb 0.40 0.73 0.17 0.00 -1.55 0.00 0.00 70.33 70.08 1p7m n THR 131 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1p7m h LEU 132 N 0.00 0.69 -2.01 1.09 3.38 -1.93 -2.58 115.31 113.95 1p7m h LEU 132 Ca -0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1p7m h LEU 132 Cb 1.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1p7m h LEU 132 CO 0.35 0.80 -0.10 -1.28 0.09 0.00 0.00 178.44 178.30 1p7m h SER 133 N 0.65 0.00 -0.04 -0.43 0.87 -1.99 -0.90 113.55 111.72 1p7m h SER 133 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1p7m h SER 133 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1p7m h SER 133 CO 0.03 0.10 0.00 -0.62 -0.53 0.00 0.00 176.83 175.81 1p7m n GLU 134 N -3.73 1.13 -3.80 2.24 -0.58 -0.97 -4.76 120.64 110.17 1p7m n GLU 134 Ca -0.02 -0.20 -0.36 0.00 -0.42 0.00 0.00 57.16 56.16 1p7m n GLU 134 Cb 0.21 -1.25 -0.07 0.00 -0.57 0.00 0.00 31.44 29.75 1p7m n GLU 134 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1p7m s ILE 135 N -1.95 5.45 0.29 -3.67 1.01 -0.35 -4.79 121.20 117.20 1p7m s ILE 135 Ca 0.24 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 1p7m s ILE 135 Cb 0.11 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 1p7m s ILE 135 CO 0.18 0.54 1.11 -2.16 0.00 0.00 0.00 174.94 174.62 1p7m s PRO 136 N -0.47 4.59 0.00 2.79 0.04 -1.26 -4.94 135.00 135.74 1p7m s PRO 136 Ca 0.13 1.81 0.17 0.00 0.04 0.00 0.00 61.00 63.15 1p7m s PRO 136 Cb -0.12 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.37 1p7m s PRO 136 CO 0.02 0.16 0.98 -2.37 0.04 0.00 0.00 177.00 175.84 1p7m n THR 137 N 1.08 0.00 -3.39 1.26 5.66 -1.26 -4.78 114.28 112.85 1p7m n THR 137 Ca -0.01 -0.45 -0.20 0.00 -3.05 0.00 0.00 64.05 60.35 1p7m n THR 137 Cb 0.45 1.30 -0.09 0.00 -1.55 0.00 0.00 70.33 70.44 1p7m n THR 137 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1p7m s SER 138 N -1.58 1.70 0.17 1.09 0.01 -1.26 -4.37 113.70 109.46 1p7m s SER 138 Ca 0.18 -1.55 0.05 0.00 1.31 0.00 0.00 55.95 55.94 1p7m s SER 138 Cb 0.14 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1p7m s SER 138 CO 0.27 -0.30 0.11 0.42 0.41 0.00 0.00 173.24 174.16 1p7m s THR 139 N 1.54 4.35 0.42 1.44 -4.23 -1.26 -4.93 115.64 112.96 1p7m s THR 139 Ca 0.16 -1.14 0.15 0.00 -1.18 0.00 0.00 61.69 59.67 1p7m s THR 139 Cb -0.17 -3.21 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1p7m s THR 139 CO -0.09 -0.11 1.91 1.55 -0.54 0.00 0.00 174.62 177.34 1p7m h PRO 140 N 2.47 0.44 -0.04 3.99 0.13 -1.99 0.55 132.00 137.55 1p7m h PRO 140 Ca -0.47 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1p7m h PRO 140 Cb 1.20 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1p7m h PRO 140 CO 0.62 0.29 -0.07 0.00 -0.23 0.00 0.00 178.00 178.61 1p7m h ALA 141 N 1.64 0.06 -0.60 -0.56 0.00 -1.94 -2.15 119.26 115.70 1p7m h ALA 141 Ca 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p7m h ALA 141 Cb 0.86 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1p7m h ALA 141 CO -0.13 -0.10 0.18 0.77 0.00 0.00 0.00 179.25 179.97 1p7m h SER 142 N -0.38 0.87 -0.94 0.00 0.02 -1.59 -2.45 113.55 109.08 1p7m h SER 142 Ca 0.00 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1p7m h SER 142 Cb 0.64 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 1p7m h SER 142 CO 0.02 0.85 0.61 0.44 -1.14 0.00 0.00 176.83 177.61 1p7m h ASP 143 N 0.85 0.98 0.12 3.07 3.32 0.06 -0.11 116.42 124.70 1p7m h ASP 143 Ca 0.19 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1p7m h ASP 143 Cb 0.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1p7m h ASP 143 CO -0.01 0.65 -0.22 0.00 -1.72 0.00 0.00 179.24 177.94 1p7m h ALA 144 N 1.47 1.42 -0.34 3.45 0.00 -0.93 -2.67 119.26 121.66 1p7m h ALA 144 Ca 0.39 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1p7m h ALA 144 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1p7m h ALA 144 CO -0.13 0.41 0.21 -0.07 0.00 0.00 0.00 179.25 179.67 1p7m h LEU 145 N 0.18 0.36 -0.63 0.00 3.38 -0.67 0.14 115.31 118.07 1p7m h LEU 145 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1p7m h LEU 145 Cb 0.50 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1p7m h LEU 145 CO 0.03 0.26 0.39 -1.28 0.09 0.00 0.00 178.44 177.94 1p7m h SER 146 N 0.44 0.74 -0.19 -0.43 0.87 -1.31 0.55 113.55 114.21 1p7m h SER 146 Ca 0.13 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1p7m h SER 146 Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1p7m h SER 146 CO -0.04 0.56 0.05 0.50 -0.53 0.00 0.00 176.83 177.36 1p7m h LYS 147 N 0.85 0.31 -0.31 2.24 3.64 -1.21 0.28 116.57 122.38 1p7m h LYS 147 Ca 0.23 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1p7m h LYS 147 Cb -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1p7m h LYS 147 CO -0.05 0.44 -0.14 0.00 -2.27 0.00 0.00 179.45 177.43 1p7m h ALA 148 N 0.86 0.43 -0.42 5.00 0.00 -0.46 -2.84 119.26 121.83 1p7m h ALA 148 Ca 0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1p7m h ALA 148 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1p7m h ALA 148 CO 0.00 0.33 -0.10 -0.07 0.00 0.00 0.00 179.25 179.40 1p7m h LEU 149 N 0.40 0.72 -0.90 0.00 3.38 0.16 -2.70 115.31 116.38 1p7m h LEU 149 Ca 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1p7m h LEU 149 Cb 0.66 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1p7m h LEU 149 CO 0.04 0.86 0.58 0.50 0.09 0.00 0.00 178.44 180.51 1p7m h LYS 150 N 0.67 1.20 -0.30 1.13 3.64 -0.31 0.59 116.57 123.20 1p7m h LYS 150 Ca 0.12 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1p7m h LYS 150 Cb 0.57 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1p7m h LYS 150 CO 0.04 0.81 -0.34 0.87 -2.27 0.00 0.00 179.45 178.56 1p7m h LYS 151 N 1.23 0.65 0.00 1.90 1.57 -1.26 -2.61 116.57 118.05 1p7m h LYS 151 Ca 0.33 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p7m h LYS 151 Cb -0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1p7m h LYS 151 CO -0.07 0.90 0.00 0.54 -0.57 0.00 0.00 179.45 180.25 1p7m n ARG 152 N -4.06 0.61 -0.63 3.15 1.74 -0.96 -4.77 116.66 111.74 1p7m n ARG 152 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1p7m n ARG 152 Cb 0.48 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p7m n GLY 153 N 0.18 0.62 3.49 -0.13 0.00 -0.98 -4.50 105.19 103.87 1p7m n GLY 153 Ca 0.09 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 3.18 0.76 1.61 0.40 0.16 -4.36 117.98 117.72 1p7m s PHE 154 Ca 0.00 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1p7m s PHE 154 Cb 0.00 -2.86 0.14 0.00 0.51 0.00 0.00 43.02 40.81 1p7m s PHE 154 CO 0.00 -0.68 1.04 0.15 0.70 0.00 0.00 175.22 176.43 1p7m s LYS 155 N 2.10 1.51 -1.27 0.44 1.02 -1.26 -3.88 119.74 118.41 1p7m s LYS 155 Ca 0.12 -1.07 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 1p7m s LYS 155 Cb -0.17 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1p7m s LYS 155 CO 0.13 -1.59 0.97 1.19 -0.92 0.00 0.00 175.35 175.13 1p7m n PHE 156 N -2.96 -2.26 -2.32 3.18 3.72 -1.26 -4.91 117.46 110.64 1p7m n PHE 156 Ca 0.15 0.93 -0.21 0.00 -0.05 0.00 0.00 57.45 58.27 1p7m n PHE 156 Cb 0.60 -4.87 0.02 0.00 -0.94 0.00 0.00 39.48 34.29 1p7m n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1p7m n VAL 157 N -4.35 2.22 -0.85 -4.37 0.24 -1.26 -4.34 118.33 105.62 1p7m n VAL 157 Ca -0.22 -4.25 -0.34 0.00 -2.04 0.00 0.00 64.34 57.49 1p7m n VAL 157 Cb 0.64 -0.79 0.10 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.56 -2.72 0.30 7.63 0.00 -1.26 -4.51 105.19 104.07 1p7m n GLY 158 Ca 0.36 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.43 1.06 -0.16 2.61 2.02 -1.95 -0.29 112.91 114.78 1p7m h THR 159 Ca -0.44 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 66.43 1p7m h THR 159 Cb 1.29 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1p7m h THR 159 CO 0.31 0.08 -0.60 0.74 0.37 0.00 0.00 175.52 176.42 1p7m h THR 160 N 0.43 1.33 -0.47 3.16 2.02 -1.87 -2.66 112.91 114.84 1p7m h THR 160 Ca 0.13 -1.89 -0.09 0.00 0.77 0.00 0.00 66.41 65.34 1p7m h THR 160 Cb 0.01 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1p7m h THR 160 CO -0.03 0.58 -0.05 0.40 0.37 0.00 0.00 175.52 176.79 1p7m h ILE 161 N 0.39 1.25 -0.51 3.11 2.04 -1.39 -2.07 117.51 120.33 1p7m h ILE 161 Ca -0.00 -1.10 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 1p7m h ILE 161 Cb 1.16 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1p7m h ILE 161 CO 0.11 0.38 -0.18 0.00 0.00 0.00 0.00 178.15 178.47 1p7m h TYR 163 N 0.89 0.74 -0.50 0.00 3.20 -1.17 -2.44 116.97 117.69 1p7m h TYR 163 Ca 0.12 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1p7m h TYR 163 Cb 0.76 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1p7m h TYR 163 CO 0.05 0.59 0.24 0.66 -1.64 0.00 0.00 178.16 178.06 1p7m h SER 164 N 0.67 0.62 -0.78 -2.11 4.64 -1.29 -2.13 113.55 113.16 1p7m h SER 164 Ca 0.17 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1p7m h SER 164 Cb 0.14 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1p7m h SER 164 CO -0.02 0.53 0.44 0.15 -0.87 0.00 0.00 176.83 177.06 1p7m h PHE 165 N 0.70 1.07 -0.37 4.77 3.57 -1.17 -2.64 116.94 122.87 1p7m h PHE 165 Ca 0.17 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1p7m h PHE 165 Cb 0.07 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1p7m h PHE 165 CO 0.01 0.75 -0.21 0.00 -2.23 0.00 0.00 178.31 176.62 1p7m h MET 166 N 1.08 0.72 -0.73 1.11 -0.00 -1.15 0.20 114.93 116.17 1p7m h MET 166 Ca 0.28 -0.28 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 1p7m h MET 166 Cb 0.02 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 31.55 1p7m h MET 166 CO -0.05 0.87 0.26 1.96 -0.00 0.00 0.00 176.91 179.96 1p7m h GLN 167 N 0.63 1.11 0.00 -0.10 1.08 -1.11 -3.12 115.11 113.60 1p7m h GLN 167 Ca 0.09 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1p7m h GLN 167 Cb 0.70 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1p7m h GLN 167 CO 0.05 0.93 -1.28 0.00 -0.95 0.00 0.00 178.83 177.58 1p7m n ALA 168 N -2.43 3.33 -0.02 3.87 0.00 -1.08 -3.57 120.51 120.61 1p7m n ALA 168 Ca 0.06 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1p7m n ALA 168 Cb 0.20 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 1p7m n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p7m n GLY 170 N 0.88 -0.30 0.26 0.00 0.00 -1.19 -4.20 105.19 100.64 1p7m n GLY 170 Ca -0.09 0.00 0.05 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 0.18 -8.72 0.99 4.07 -1.85 -3.43 115.31 106.55 1p7m h LEU 171 Ca 0.00 -0.02 -0.48 0.00 0.08 0.00 0.00 57.88 57.47 1p7m h LEU 171 Cb 0.00 -0.05 -0.18 0.00 1.08 0.00 0.00 40.66 41.51 1p7m h LEU 171 CO 0.00 0.21 -0.78 0.68 -1.08 0.00 0.00 178.44 177.47 1p7m s VAL 172 N -5.04 1.60 0.27 1.22 -7.23 -1.25 -0.88 120.40 109.09 1p7m s VAL 172 Ca -0.06 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.39 1p7m s VAL 172 Cb 0.17 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1p7m s VAL 172 CO 0.70 -0.34 -0.11 0.54 -0.31 0.00 0.00 175.10 175.59 1p7m s ASN 173 N -2.51 3.01 0.00 4.85 2.20 0.66 -4.85 114.94 118.29 1p7m s ASN 173 Ca 0.12 -1.12 0.00 0.00 -0.94 0.00 0.00 52.86 50.92 1p7m s ASN 173 Cb -0.06 -0.21 0.00 0.00 -2.00 0.00 0.00 41.25 38.98 1p7m s ASN 173 CO 0.05 -0.21 0.00 0.47 -2.94 0.00 0.00 177.10 174.47 1p7m n ASP 174 N -0.57 -0.84 -0.35 3.54 8.00 -1.26 -1.44 116.55 123.62 1p7m n ASP 174 Ca -0.06 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.57 1p7m n ASP 174 Cb 0.62 -0.42 0.32 0.00 -0.02 0.00 0.00 41.12 41.62 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 1.05 0.00 1.24 3.86 -1.93 -3.36 115.15 116.00 1p7m h HIS 175 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1p7m h HIS 175 Cb 0.12 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1p7m h HIS 175 CO 0.00 0.26 0.00 1.55 0.86 0.00 0.00 177.93 180.60 1p7m n VAL 176 N -4.73 0.00 0.00 2.45 3.14 -1.26 -4.72 118.33 113.21 1p7m n VAL 176 Ca 0.23 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 1p7m n VAL 176 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 1p7m n VAL 176 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1p7m n VAL 177 N 0.00 0.00 -3.27 1.55 0.31 -0.99 -1.03 118.33 114.90 1p7m n VAL 177 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1p7m n VAL 177 Cb 0.00 -0.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.74 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 1.65 4.50 3.58 2.92 0.00 -1.26 -4.85 105.19 111.74 1p7m n GLY 178 Ca 0.00 -2.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.17 1p7m n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7m s TYR 182 N -5.71 3.39 0.05 0.00 5.04 0.83 -5.08 117.35 115.89 1p7m s TYR 182 Ca -0.10 -3.26 -0.32 0.00 -2.44 0.00 0.00 57.07 50.95 1p7m s TYR 182 Cb 0.21 -2.73 -0.11 0.00 0.35 0.00 0.00 41.96 39.68 1p7m s TYR 182 CO 0.78 -0.62 1.86 -2.30 -1.34 0.00 0.00 175.55 173.93 1p7m n PRO 183 N 2.41 2.61 0.24 4.97 -0.02 -1.23 -4.37 135.00 139.61 1p7m n PRO 183 Ca 0.14 0.95 0.16 0.00 -2.02 0.00 0.00 63.50 62.73 1p7m n PRO 183 Cb 0.34 -2.84 0.65 0.00 -0.02 0.00 0.00 33.50 31.63 1p7m n PRO 183 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p7m h GLY 184 N 9.01 0.00 0.00 -1.23 0.00 -1.88 -2.73 103.07 106.23 1p7m h GLY 184 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1p7m h GLY 184 CO 0.94 0.00 -1.81 1.16 0.00 0.00 0.00 176.54 176.83 1p7m n ASN 185 N -2.83 0.37 -3.53 0.19 0.23 -1.26 -5.02 115.26 103.40 1p7m n ASN 185 Ca 0.01 -0.13 -0.17 0.00 -0.53 0.00 0.00 54.58 53.76 1p7m n ASN 185 Cb 0.27 1.81 0.00 0.00 -2.08 0.00 0.00 39.78 39.79 1p7m n ASN 185 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1p7m n LYS 186 N -2.11 -1.49 0.00 -3.83 4.01 -1.03 -5.29 118.16 108.41 1p7m n LYS 186 Ca -0.03 1.04 0.01 0.00 -0.51 0.00 0.00 58.31 58.82 1p7m n LYS 186 Cb 0.51 -3.48 0.08 0.00 -0.51 0.00 0.00 35.03 31.63 1p7m n LYS 186 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99