#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 3.41 0.26 3.17 2.56 -1.26 -4.85 118.70 121.99 1p7m s GLU 2 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.97 54.65 1p7m s GLU 2 Cb 0.00 -3.10 0.47 0.00 2.00 0.00 0.00 34.13 33.50 1p7m s GLU 2 CO 0.00 0.69 1.79 0.00 -0.56 0.00 0.00 175.26 177.18 1p7m h ARG 3 N 4.08 0.70 -1.14 4.30 3.08 -1.91 -1.69 114.38 121.80 1p7m h ARG 3 Ca -0.50 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 59.77 1p7m h ARG 3 Cb 1.20 -0.16 -0.24 0.00 0.08 0.00 0.00 29.97 30.85 1p7m h ARG 3 CO 0.66 0.46 0.92 0.00 -1.07 0.00 0.00 179.97 180.95 1p7m h GLY 5 N 2.05 0.70 0.33 0.00 0.00 -1.99 -2.34 103.07 101.82 1p7m h GLY 5 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1p7m h GLY 5 CO 0.21 0.21 -0.19 -2.67 0.00 0.00 0.00 176.54 174.10 1p7m n TRP 6 N -4.79 0.00 0.01 5.60 2.14 -1.26 -3.50 117.44 115.65 1p7m n TRP 6 Ca 0.03 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.41 1p7m n TRP 6 Cb 0.06 -0.12 -0.10 0.00 -0.81 0.00 0.00 31.31 30.34 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1p7m h VAL 7 N 1.16 1.31 -0.00 -1.67 2.07 -1.74 -3.07 116.25 114.31 1p7m h VAL 7 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1p7m h VAL 7 Cb 0.47 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1p7m h VAL 7 CO 0.00 0.65 -0.18 -0.24 0.02 0.00 0.00 177.57 177.82 1p7m n SER 8 N -3.97 0.20 -0.12 0.57 2.88 -1.14 -3.76 113.62 108.27 1p7m n SER 8 Ca -0.10 0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 1p7m n SER 8 Cb 0.79 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1p7m n SER 8 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1p7m h GLN 9 N 0.04 0.95 -2.95 -1.46 4.15 -1.57 -3.47 115.11 110.80 1p7m h GLN 9 Ca 0.00 -0.49 -0.04 0.00 0.77 0.00 0.00 58.65 58.88 1p7m h GLN 9 Cb 0.49 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.05 1p7m h GLN 9 CO 0.00 1.15 0.08 -0.51 -1.93 0.00 0.00 178.83 177.63 1p7m s ASP 10 N -6.83 -0.45 1.41 -0.69 1.01 -1.24 -5.12 116.67 104.76 1p7m s ASP 10 Ca -0.11 0.03 -0.24 0.00 0.71 0.00 0.00 52.55 52.94 1p7m s ASP 10 Cb 0.11 0.53 0.36 0.00 1.01 0.00 0.00 42.92 44.93 1p7m s ASP 10 CO 0.88 -0.83 0.96 -2.16 0.21 0.00 0.00 175.17 174.23 1p7m s PRO 11 N -3.16 -2.86 0.00 8.23 0.04 -1.26 -3.55 135.00 132.44 1p7m s PRO 11 Ca -0.01 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1p7m s PRO 11 Cb -0.00 -1.40 0.00 0.00 0.04 0.00 0.00 34.50 33.14 1p7m s PRO 11 CO -0.08 -4.79 0.00 1.28 0.04 0.00 0.00 177.00 173.45 1p7m n LEU 12 N -5.54 0.00 -0.19 -3.56 4.77 -1.26 -4.44 117.00 106.77 1p7m n LEU 12 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1p7m n LEU 12 Cb 0.61 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.12 1p7m n LEU 12 CO 0.41 0.00 1.21 1.88 -1.33 0.00 0.00 177.39 179.56 1p7m h TYR 13 N 0.00 0.67 -0.78 -1.77 0.05 -1.89 0.07 116.97 113.33 1p7m h TYR 13 Ca 0.00 0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.90 1p7m h TYR 13 Cb 0.00 -0.21 -0.08 0.00 1.01 0.00 0.00 36.73 37.45 1p7m h TYR 13 CO 0.00 0.29 0.41 0.82 -1.05 0.00 0.00 178.16 178.63 1p7m h ILE 14 N 0.60 0.84 -0.05 -2.88 5.03 -1.78 0.14 117.51 119.41 1p7m h ILE 14 Ca 0.37 -0.23 -0.01 0.00 -0.12 0.00 0.00 64.86 64.87 1p7m h ILE 14 Cb 0.60 0.12 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1p7m h ILE 14 CO -0.14 0.12 0.01 0.00 -0.68 0.00 0.00 178.15 177.47 1p7m h ALA 15 N 1.47 0.07 -0.76 1.87 0.00 -1.36 -2.40 119.26 118.15 1p7m h ALA 15 Ca 0.39 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1p7m h ALA 15 Cb 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1p7m h ALA 15 CO -0.28 -0.30 0.50 -0.92 0.00 0.00 0.00 179.25 178.24 1p7m h TYR 16 N -0.15 0.86 -0.40 0.00 3.20 -0.94 -0.05 116.97 119.50 1p7m h TYR 16 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1p7m h TYR 16 Cb 0.26 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1p7m h TYR 16 CO 0.01 0.49 0.19 1.25 -1.64 0.00 0.00 178.16 178.45 1p7m h HIS 17 N 0.88 0.58 -0.00 -3.82 2.76 -0.47 -2.24 115.15 112.83 1p7m h HIS 17 Ca 0.31 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1p7m h HIS 17 Cb 0.12 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1p7m h HIS 17 CO -0.00 0.48 -0.04 -0.25 -1.30 0.00 0.00 177.93 176.82 1p7m n ASP 18 N -4.69 0.41 0.00 3.26 8.00 -0.79 -4.20 116.55 118.54 1p7m n ASP 18 Ca -0.00 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1p7m n ASP 18 Cb 0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.84 0.00 -2.70 -2.24 3.02 -0.10 -4.93 115.26 107.46 1p7m n ASN 19 Ca 0.18 0.33 -0.06 0.00 -0.03 0.00 0.00 54.58 55.00 1p7m n ASN 19 Cb 0.23 -0.24 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1p7m n ASN 19 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1p7m n GLU 20 N -1.22 0.44 -1.33 3.52 0.28 -1.22 -5.03 120.64 116.07 1p7m n GLU 20 Ca 0.00 -1.19 -0.39 0.00 -0.16 0.00 0.00 57.16 55.42 1p7m n GLU 20 Cb 0.00 -0.79 -0.03 0.00 1.43 0.00 0.00 31.44 32.05 1p7m n GLU 20 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1p7m n TRP 21 N 1.48 2.48 -1.02 -1.84 -0.00 -1.26 -4.39 117.44 112.89 1p7m n TRP 21 Ca 0.04 -3.07 0.00 0.00 -0.00 0.00 0.00 57.50 54.48 1p7m n TRP 21 Cb 0.68 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.50 1p7m n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p7m n GLY 22 N 3.62 0.56 0.00 5.87 0.00 -0.88 -4.73 105.19 109.63 1p7m n GLY 22 Ca 0.76 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1p7m n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p7m n VAL 23 N -0.87 0.00 -3.75 1.61 0.24 -1.26 -4.59 118.33 109.70 1p7m n VAL 23 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1p7m n VAL 23 Cb 0.34 -0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.58 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1p7m s PRO 24 N -1.11 3.55 0.50 7.34 0.04 -1.26 -4.98 135.00 139.08 1p7m s PRO 24 Ca 0.00 -0.23 -0.22 0.00 0.04 0.00 0.00 61.00 60.60 1p7m s PRO 24 Cb 0.00 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.57 1p7m s PRO 24 CO 0.00 0.51 1.17 -2.00 0.04 0.00 0.00 177.00 176.72 1p7m s GLU 25 N -2.68 3.56 0.09 4.56 2.12 -1.26 -4.39 118.70 120.70 1p7m s GLU 25 Ca 0.39 1.76 0.02 0.00 0.36 0.00 0.00 54.97 57.49 1p7m s GLU 25 Cb -0.12 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1p7m s GLU 25 CO 0.26 -0.72 0.19 0.95 -0.54 0.00 0.00 175.26 175.41 1p7m s THR 26 N -1.60 5.11 0.29 -1.70 -4.23 -1.26 -5.06 115.64 107.19 1p7m s THR 26 Ca 0.68 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1p7m s THR 26 Cb -0.28 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1p7m s THR 26 CO 0.33 0.07 0.51 -0.62 -0.54 0.00 0.00 174.62 174.37 1p7m s ASP 27 N -2.68 6.36 0.48 3.99 2.15 -1.26 -4.94 116.67 120.76 1p7m s ASP 27 Ca 0.33 0.52 0.26 0.00 0.43 0.00 0.00 52.55 54.09 1p7m s ASP 27 Cb -0.12 -2.06 1.31 0.00 -0.30 0.00 0.00 42.92 41.74 1p7m s ASP 27 CO 0.26 -0.20 1.84 0.28 -0.17 0.00 0.00 175.17 177.18 1p7m h SER 28 N 1.35 0.21 -0.22 -0.34 0.02 -1.97 -0.38 113.55 112.21 1p7m h SER 28 Ca -0.49 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.31 1p7m h SER 28 Cb 1.20 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1p7m h SER 28 CO 0.64 0.06 -0.57 0.11 -1.14 0.00 0.00 176.83 175.93 1p7m h LYS 29 N 0.19 0.82 -0.77 3.45 1.79 -2.01 -3.24 116.57 116.81 1p7m h LYS 29 Ca 0.50 -0.53 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1p7m h LYS 29 Cb 1.62 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.30 1p7m h LYS 29 CO -0.12 1.16 0.34 0.87 -1.08 0.00 0.00 179.45 180.62 1p7m h LYS 30 N 0.62 1.12 -1.00 3.15 1.57 -1.44 -2.23 116.57 118.37 1p7m h LYS 30 Ca 0.01 -0.18 0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1p7m h LYS 30 Cb 1.17 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 1p7m h LYS 30 CO 0.12 0.88 0.64 -0.07 -0.57 0.00 0.00 179.45 180.46 1p7m h LEU 31 N 1.10 1.00 -0.28 2.94 4.07 -1.56 0.86 115.31 123.44 1p7m h LEU 31 Ca 0.26 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1p7m h LEU 31 Cb 0.16 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1p7m h LEU 31 CO -0.03 0.61 0.13 0.15 -1.08 0.00 0.00 178.44 178.22 1p7m h PHE 32 N 1.12 0.41 -0.18 1.13 3.57 -1.48 0.40 116.94 121.91 1p7m h PHE 32 Ca 0.45 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.76 1p7m h PHE 32 Cb 0.27 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1p7m h PHE 32 CO -0.00 0.39 -0.58 0.93 -2.23 0.00 0.00 178.31 176.82 1p7m h GLU 33 N 0.32 0.57 -0.09 1.11 5.08 -1.04 -2.90 114.58 117.63 1p7m h GLU 33 Ca 0.10 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1p7m h GLU 33 Cb 0.13 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1p7m h GLU 33 CO -0.01 0.98 -0.07 1.98 -1.00 0.00 0.00 179.01 180.90 1p7m h MET 34 N 0.43 0.20 0.00 2.33 4.05 1.00 -2.75 114.93 120.20 1p7m h MET 34 Ca 0.00 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1p7m h MET 34 Cb 1.13 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1p7m h MET 34 CO 0.11 0.60 -0.05 0.97 0.23 0.00 0.00 176.91 178.77 1p7m h ILE 35 N -0.19 0.96 0.16 1.77 6.09 -0.25 0.68 117.51 126.73 1p7m h ILE 35 Ca 0.02 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.31 1p7m h ILE 35 Cb 0.55 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.95 1p7m h ILE 35 CO 0.02 0.05 -0.08 0.00 -3.07 0.00 0.00 178.15 175.07 1p7m h LEU 37 N -0.64 1.07 -1.56 0.00 3.38 -1.17 -1.99 115.31 114.39 1p7m h LEU 37 Ca -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1p7m h LEU 37 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1p7m h LEU 37 CO 0.04 1.04 -0.12 -0.33 0.09 0.00 0.00 178.44 179.16 1p7m h GLU 38 N 1.05 0.14 -0.33 1.13 4.39 -0.87 -1.83 114.58 118.25 1p7m h GLU 38 Ca 0.21 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1p7m h GLU 38 Cb 0.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1p7m h GLU 38 CO 0.01 0.26 -0.30 0.78 -1.16 0.00 0.00 179.01 178.60 1p7m h GLY 39 N 0.59 0.77 1.30 -3.84 0.00 -0.42 -3.07 103.07 98.39 1p7m h GLY 39 Ca 0.03 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.70 1p7m h GLY 39 CO 0.02 0.64 0.38 1.46 0.00 0.00 0.00 176.54 179.04 1p7m h GLN 40 N 0.60 0.63 0.00 4.80 4.20 -0.84 -0.84 115.11 123.66 1p7m h GLN 40 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1p7m h GLN 40 Cb 0.81 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1p7m h GLN 40 CO 0.07 0.41 0.00 0.00 -0.67 0.00 0.00 178.83 178.64 1p7m n GLN 41 N -4.47 0.55 -1.56 1.46 10.64 -1.16 -4.47 117.38 118.37 1p7m n GLN 41 Ca 0.07 0.00 -0.48 0.00 -1.83 0.00 0.00 57.00 54.76 1p7m n GLN 41 Cb 0.16 -1.02 -0.05 0.00 -0.86 0.00 0.00 30.24 28.47 1p7m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p7m n ALA 42 N -0.52 1.24 0.00 2.61 0.00 -0.32 -0.22 120.51 123.30 1p7m n ALA 42 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p7m n ALA 42 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1p7m n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p7m n GLY 43 N 5.69 1.07 3.72 0.00 0.00 -1.26 -4.91 105.19 109.50 1p7m n GLY 43 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 3.64 0.85 0.99 2.96 0.69 -5.09 118.68 122.72 1p7m s LEU 44 Ca 0.00 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 1p7m s LEU 44 Cb 0.00 -2.15 0.05 0.00 0.50 0.00 0.00 46.19 44.59 1p7m s LEU 44 CO 0.00 0.26 0.83 -1.54 -1.32 0.00 0.00 176.35 174.58 1p7m n SER 45 N 1.16 -0.40 0.04 3.68 3.41 -1.26 -4.39 113.62 115.86 1p7m n SER 45 Ca -0.13 0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1p7m n SER 45 Cb 0.52 -1.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1p7m n SER 45 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1p7m h TRP 46 N -1.11 0.76 -0.98 7.33 2.91 -1.97 -3.24 115.95 119.64 1p7m h TRP 46 Ca -0.45 -0.38 0.09 0.00 1.13 0.00 0.00 58.89 59.28 1p7m h TRP 46 Cb 1.30 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.78 1p7m h TRP 46 CO 0.42 1.19 0.62 0.82 -1.03 0.00 0.00 178.44 180.46 1p7m h ILE 47 N 0.33 1.01 -0.89 2.65 1.08 -2.00 0.49 117.51 120.17 1p7m h ILE 47 Ca -0.07 -0.36 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1p7m h ILE 47 Cb 1.50 -0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 1p7m h ILE 47 CO 0.16 0.19 0.58 0.74 -0.69 0.00 0.00 178.15 179.14 1p7m h THR 48 N 1.06 1.07 -0.26 -0.27 2.02 -1.94 0.86 112.91 115.46 1p7m h THR 48 Ca 0.45 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1p7m h THR 48 Cb 0.30 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1p7m h THR 48 CO -0.21 0.19 -0.11 0.58 0.37 0.00 0.00 175.52 176.33 1p7m h VAL 49 N 1.03 1.21 -0.11 3.16 2.07 -1.02 -1.99 116.25 120.59 1p7m h VAL 49 Ca 0.38 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1p7m h VAL 49 Cb 0.18 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1p7m h VAL 49 CO -0.14 0.30 0.05 0.25 0.02 0.00 0.00 177.57 178.06 1p7m h LEU 50 N 0.40 0.15 -0.34 2.57 6.46 -0.19 1.58 115.31 125.93 1p7m h LEU 50 Ca 0.08 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1p7m h LEU 50 Cb 0.44 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1p7m h LEU 50 CO 0.02 0.23 0.14 0.11 -0.62 0.00 0.00 178.44 178.33 1p7m h LYS 51 N 0.06 0.51 0.00 1.25 1.57 -1.25 -1.86 116.57 116.84 1p7m h LYS 51 Ca 0.04 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1p7m h LYS 51 Cb 0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1p7m h LYS 51 CO -0.00 0.49 0.00 1.63 -0.57 0.00 0.00 179.45 181.00 1p7m n LYS 52 N -4.71 0.10 0.10 3.15 4.01 -0.77 -3.00 118.16 117.04 1p7m n LYS 52 Ca -0.01 0.02 -0.12 0.00 -0.51 0.00 0.00 58.31 57.69 1p7m n LYS 52 Cb 0.13 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.07 1p7m n LYS 52 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1p7m h ARG 53 N 0.00 -0.29 -0.69 1.97 2.43 0.32 0.99 114.38 119.10 1p7m h ARG 53 Ca 0.00 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1p7m h ARG 53 Cb 0.43 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1p7m h ARG 53 CO 0.00 0.08 0.14 0.93 -1.51 0.00 0.00 179.97 179.61 1p7m h GLU 54 N -0.80 1.13 -0.02 0.20 5.08 -1.58 -0.78 114.58 117.81 1p7m h GLU 54 Ca -0.03 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1p7m h GLU 54 Cb 0.51 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p7m h GLU 54 CO 0.05 1.02 -0.33 -0.97 -1.00 0.00 0.00 179.01 177.78 1p7m h ASN 55 N 1.07 0.33 -0.06 1.42 -1.24 -1.55 -2.86 115.58 112.68 1p7m h ASN 55 Ca 0.21 -0.73 -0.00 0.00 0.71 0.00 0.00 56.30 56.49 1p7m h ASN 55 Cb 0.42 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1p7m h ASN 55 CO 0.01 1.01 0.02 0.22 -1.29 0.00 0.00 177.43 177.40 1p7m h TYR 56 N -0.32 0.10 -0.51 0.67 3.20 0.11 -2.36 116.97 117.85 1p7m h TYR 56 Ca -0.04 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1p7m h TYR 56 Cb 1.04 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1p7m h TYR 56 CO 0.16 0.23 0.34 0.07 -1.64 0.00 0.00 178.16 177.32 1p7m h ARG 57 N -0.06 0.47 -0.93 1.82 0.11 -1.25 -1.33 114.38 113.21 1p7m h ARG 57 Ca 0.02 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.12 1p7m h ARG 57 Cb 0.18 -0.11 -0.06 0.00 1.11 0.00 0.00 29.97 31.09 1p7m h ARG 57 CO -0.00 0.31 0.60 0.00 0.10 0.00 0.00 179.97 180.98 1p7m h ALA 58 N 1.72 1.25 -0.14 0.08 0.00 -1.18 2.17 119.26 123.16 1p7m h ALA 58 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1p7m h ALA 58 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p7m h ALA 58 CO -0.06 0.42 -0.42 0.00 0.00 0.00 0.00 179.25 179.19 1p7m n PHE 60 N -4.27 0.51 0.03 0.00 3.01 -0.99 -4.40 117.46 111.34 1p7m n PHE 60 Ca -0.07 -0.26 -0.10 0.00 1.01 0.00 0.00 57.45 58.03 1p7m n PHE 60 Cb 0.55 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.98 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 2.96 -0.63 -0.02 1.38 2.76 0.36 0.87 115.15 122.84 1p7m h HIS 61 Ca 0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 1p7m h HIS 61 Cb 0.67 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1p7m h HIS 61 CO 0.26 -0.32 -0.40 1.96 -1.30 0.00 0.00 177.93 178.13 1p7m h GLN 62 N -0.33 0.04 -2.84 5.26 4.20 -1.80 -3.26 115.11 116.37 1p7m h GLN 62 Ca 0.08 -0.02 -0.71 0.00 0.06 0.00 0.00 58.65 58.06 1p7m h GLN 62 Cb 0.45 -0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.88 1p7m h GLN 62 CO -0.26 0.44 0.09 1.19 -0.67 0.00 0.00 178.83 179.62 1p7m n PHE 63 N -4.06 3.41 -0.09 2.96 3.72 0.15 -4.83 117.46 118.73 1p7m n PHE 63 Ca -0.02 -3.59 -0.17 0.00 -0.05 0.00 0.00 57.45 53.63 1p7m n PHE 63 Cb 0.44 -1.03 -0.07 0.00 -0.94 0.00 0.00 39.48 37.88 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p7m n ASP 64 N 1.52 1.79 0.00 4.37 8.00 -0.34 -4.39 116.55 127.50 1p7m n ASP 64 Ca 0.26 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1p7m n ASP 64 Cb 0.37 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 -3.51 0.00 -0.09 -0.24 -0.04 -1.26 -4.48 135.00 125.38 1p7m n PRO 65 Ca -0.33 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.18 1p7m n PRO 65 Cb 0.78 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 34.63 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 1.06 -0.91 0.52 2.07 -1.96 0.15 116.25 117.18 1p7m h VAL 66 Ca 0.00 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1p7m h VAL 66 Cb 0.00 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1p7m h VAL 66 CO 0.00 0.12 0.58 0.11 0.02 0.00 0.00 177.57 178.40 1p7m h LYS 67 N 0.64 0.85 -0.49 1.57 1.57 -1.91 0.44 116.57 119.23 1p7m h LYS 67 Ca 0.23 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1p7m h LYS 67 Cb 0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1p7m h LYS 67 CO -0.06 0.56 0.10 0.28 -0.57 0.00 0.00 179.45 179.76 1p7m h VAL 68 N 0.87 1.22 0.00 0.50 2.07 -0.91 0.63 116.25 120.62 1p7m h VAL 68 Ca 0.43 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1p7m h VAL 68 Cb 0.47 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1p7m h VAL 68 CO -0.19 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1p7m h ALA 69 N 1.38 1.00 0.00 1.67 0.00 0.03 0.16 119.26 123.51 1p7m h ALA 69 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1p7m h ALA 69 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p7m h ALA 69 CO 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 179.25 178.19 1p7m n ALA 70 N -1.94 3.38 -2.30 0.00 0.00 0.18 -4.81 120.51 115.01 1p7m n ALA 70 Ca -0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1p7m n ALA 70 Cb 0.18 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.21 3.62 0.52 0.00 -1.94 0.10 -4.99 119.30 113.39 1p7m s MET 71 Ca 0.03 1.10 0.05 0.00 -1.71 0.00 0.00 55.69 55.17 1p7m s MET 71 Cb 0.14 -4.02 0.04 0.00 2.01 0.00 0.00 34.83 33.00 1p7m s MET 71 CO 0.81 -1.51 0.71 -0.65 -0.01 0.00 0.00 175.02 174.37 1p7m s GLN 72 N 4.88 2.54 0.54 2.03 -0.21 -1.26 -4.90 119.66 123.28 1p7m s GLN 72 Ca 0.64 -1.15 0.28 0.00 0.02 0.00 0.00 55.36 55.15 1p7m s GLN 72 Cb -0.16 -2.61 1.45 0.00 1.00 0.00 0.00 33.01 32.69 1p7m s GLN 72 CO 0.31 -0.63 1.95 0.93 -2.12 0.00 0.00 175.29 175.73 1p7m h GLU 73 N 0.27 0.00 -0.52 2.91 5.08 -1.97 0.37 114.58 120.71 1p7m h GLU 73 Ca -0.39 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1p7m h GLU 73 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1p7m h GLU 73 CO 0.46 0.00 0.24 1.49 -1.00 0.00 0.00 179.01 180.20 1p7m h GLU 74 N 0.00 0.45 -0.40 2.33 4.81 -1.99 0.78 114.58 120.56 1p7m h GLU 74 Ca 0.30 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1p7m h GLU 74 Cb 1.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1p7m h GLU 74 CO -0.00 0.30 -0.10 0.38 -0.73 0.00 0.00 179.01 178.85 1p7m h ASP 75 N 0.46 0.68 -0.51 1.04 3.04 -1.29 -2.85 116.42 116.99 1p7m h ASP 75 Ca 0.24 -0.19 -0.02 0.00 -3.24 0.00 0.00 57.03 53.82 1p7m h ASP 75 Cb 0.19 -0.18 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1p7m h ASP 75 CO -0.19 0.81 0.25 0.58 -2.04 0.00 0.00 179.24 178.66 1p7m h VAL 76 N 0.64 1.19 -0.98 4.15 2.07 -0.83 0.49 116.25 122.97 1p7m h VAL 76 Ca 0.11 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1p7m h VAL 76 Cb 0.54 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1p7m h VAL 76 CO 0.03 0.21 0.64 -0.33 0.02 0.00 0.00 177.57 178.14 1p7m h GLU 77 N 0.68 1.14 -0.59 1.57 5.08 -0.70 -0.01 114.58 121.75 1p7m h GLU 77 Ca 0.18 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1p7m h GLU 77 Cb 0.10 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1p7m h GLU 77 CO -0.02 0.76 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.64 1p7m h ARG 78 N 1.18 1.04 -0.19 2.33 2.43 -1.18 -2.91 114.38 117.08 1p7m h ARG 78 Ca 0.41 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1p7m h ARG 78 Cb 0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1p7m h ARG 78 CO -0.15 1.02 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.15 1p7m h LEU 79 N 0.95 0.29 -1.48 3.80 3.38 0.88 -1.88 115.31 121.25 1p7m h LEU 79 Ca 0.17 -0.06 0.28 0.00 0.09 0.00 0.00 57.88 58.35 1p7m h LEU 79 Cb 0.57 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1p7m h LEU 79 CO 0.03 0.45 0.69 0.58 0.09 0.00 0.00 178.44 180.28 1p7m h VAL 80 N 0.29 0.51 -0.11 1.22 2.07 -0.97 -0.22 116.25 119.04 1p7m h VAL 80 Ca 0.06 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1p7m h VAL 80 Cb 0.40 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1p7m h VAL 80 CO 0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1p7m n GLN 81 N -4.55 1.27 -3.07 1.57 10.64 -1.01 -4.62 117.38 117.62 1p7m n GLN 81 Ca 0.25 -1.35 -0.43 0.00 -1.83 0.00 0.00 57.00 53.65 1p7m n GLN 81 Cb 0.94 -1.16 -0.06 0.00 -0.86 0.00 0.00 30.24 29.09 1p7m n GLN 81 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1p7m s ASP 82 N -0.79 6.38 0.00 2.61 2.15 -0.09 -4.03 116.67 122.89 1p7m s ASP 82 Ca 0.12 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.95 1p7m s ASP 82 Cb 0.07 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1p7m s ASP 82 CO 0.10 -0.77 0.00 0.00 -0.17 0.00 0.00 175.17 174.33 1p7m n ALA 83 N 6.34 0.00 -1.91 3.66 0.00 -1.26 -3.55 120.51 123.78 1p7m n ALA 83 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1p7m n ALA 83 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.89 0.29 0.00 0.00 0.00 -1.26 -5.03 105.19 97.31 1p7m n GLY 84 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.82 0.00 -1.24 -0.61 -5.35 -1.23 -4.46 119.36 102.66 1p7m n ILE 85 Ca -0.04 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.22 1p7m n ILE 85 Cb 0.47 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.25 1p7m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p7m n ILE 86 N -2.17 0.00 -1.64 7.28 3.06 -1.26 -4.83 119.36 119.79 1p7m n ILE 86 Ca 0.00 -0.03 -0.44 0.00 -2.50 0.00 0.00 62.75 59.77 1p7m n ILE 86 Cb 0.00 -1.86 -0.04 0.00 0.54 0.00 0.00 39.64 38.28 1p7m n ILE 86 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1p7m n ARG 87 N 7.83 2.42 0.00 9.51 1.85 -1.26 -4.49 116.66 132.52 1p7m n ARG 87 Ca 0.40 0.84 0.00 0.00 -1.00 0.00 0.00 57.85 58.09 1p7m n ARG 87 Cb 0.45 -2.94 0.00 0.00 -1.05 0.00 0.00 32.46 28.92 1p7m n ARG 87 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1p7m n HIS 88 N 8.34 0.00 0.00 2.89 -0.00 -1.26 -5.01 115.22 120.17 1p7m n HIS 88 Ca 0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1p7m n HIS 88 Cb 0.38 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 1p7m n HIS 88 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1p7m n ARG 89 N -0.96 0.00 0.13 1.57 1.85 -1.26 -4.49 116.66 113.50 1p7m n ARG 89 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 1p7m n ARG 89 Cb 0.00 -0.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.65 1p7m n ARG 89 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1p7m h GLY 90 N 0.00 -0.44 1.65 2.89 0.00 -1.95 -2.58 103.07 102.63 1p7m h GLY 90 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1p7m h GLY 90 CO 0.00 -0.16 0.19 0.50 0.00 0.00 0.00 176.54 177.07 1p7m h LYS 91 N -1.10 0.46 -0.69 4.80 1.57 -1.96 -1.97 116.57 117.68 1p7m h LYS 91 Ca -0.04 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1p7m h LYS 91 Cb 0.36 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1p7m h LYS 91 CO 0.07 0.34 0.13 0.82 -0.57 0.00 0.00 179.45 180.24 1p7m h ILE 92 N 0.47 1.26 -0.19 1.86 2.04 -1.89 -2.42 117.51 118.65 1p7m h ILE 92 Ca 0.12 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1p7m h ILE 92 Cb 0.00 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1p7m h ILE 92 CO -0.02 0.39 -0.07 0.06 0.00 0.00 0.00 178.15 178.50 1p7m h GLN 93 N 1.06 0.28 -0.59 2.37 3.07 -0.94 -2.19 115.11 118.18 1p7m h GLN 93 Ca 0.21 -0.06 -0.09 0.00 0.09 0.00 0.00 58.65 58.81 1p7m h GLN 93 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1p7m h GLN 93 CO 0.01 0.37 0.01 0.00 0.09 0.00 0.00 178.83 179.31 1p7m h ALA 94 N 1.66 0.90 -0.53 0.06 0.00 -1.20 -2.64 119.26 117.51 1p7m h ALA 94 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1p7m h ALA 94 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1p7m h ALA 94 CO 0.01 0.65 0.29 0.82 0.00 0.00 0.00 179.25 181.03 1p7m h ILE 95 N 0.94 1.16 -0.21 0.00 2.04 -1.13 -2.47 117.51 117.84 1p7m h ILE 95 Ca 0.17 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1p7m h ILE 95 Cb 0.53 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1p7m h ILE 95 CO 0.03 0.18 0.10 0.40 0.00 0.00 0.00 178.15 178.86 1p7m h ILE 96 N 0.74 1.13 -0.47 -0.67 1.08 -1.25 -2.29 117.51 115.77 1p7m h ILE 96 Ca 0.19 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1p7m h ILE 96 Cb 0.02 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1p7m h ILE 96 CO -0.03 0.13 0.32 1.23 -0.69 0.00 0.00 178.15 179.10 1p7m h GLY 97 N 0.21 0.55 1.51 5.37 0.00 -1.35 -1.65 103.07 107.71 1p7m h GLY 97 Ca 0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1p7m h GLY 97 CO -0.01 0.15 -0.37 3.43 0.00 0.00 0.00 176.54 179.75 1p7m h ASN 98 N 0.46 0.57 -0.40 0.19 -0.26 -1.07 -2.40 115.58 112.67 1p7m h ASN 98 Ca 0.20 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1p7m h ASN 98 Cb 0.21 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1p7m h ASN 98 CO -0.05 0.88 0.26 0.00 -1.06 0.00 0.00 177.43 177.47 1p7m h ALA 99 N 1.15 0.51 -0.50 -0.83 0.00 -0.95 -0.86 119.26 117.77 1p7m h ALA 99 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1p7m h ALA 99 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1p7m h ALA 99 CO 0.07 -0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.46 1p7m h ARG 100 N 0.54 0.73 0.00 0.00 3.08 -1.38 -0.06 114.38 117.28 1p7m h ARG 100 Ca 0.15 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1p7m h ARG 100 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1p7m h ARG 100 CO -0.03 0.62 -0.18 0.00 -1.07 0.00 0.00 179.97 179.30 1p7m h ALA 101 N 1.48 1.63 -0.74 0.04 0.00 -0.76 -0.47 119.26 120.44 1p7m h ALA 101 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1p7m h ALA 101 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1p7m h ALA 101 CO -0.01 0.23 0.26 -0.92 0.00 0.00 0.00 179.25 178.81 1p7m h TYR 102 N 0.00 1.16 -0.30 0.00 5.03 0.32 -0.96 116.97 122.23 1p7m h TYR 102 Ca -0.00 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.15 1p7m h TYR 102 Cb 0.34 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1p7m h TYR 102 CO 0.00 0.91 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.63 1p7m h LEU 103 N 1.08 0.45 -1.02 2.82 3.38 -0.80 -2.20 115.31 119.03 1p7m h LEU 103 Ca 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1p7m h LEU 103 Cb 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1p7m h LEU 103 CO -0.01 0.55 0.13 1.56 0.09 0.00 0.00 178.44 180.76 1p7m h GLN 104 N 0.45 0.84 -0.44 1.13 4.20 -0.28 -1.72 115.11 119.29 1p7m h GLN 104 Ca 0.09 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1p7m h GLN 104 Cb 0.36 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1p7m h GLN 104 CO 0.02 0.76 0.02 1.98 -0.67 0.00 0.00 178.83 180.93 1p7m h MET 105 N 0.81 0.76 -0.55 1.46 1.85 -0.77 -2.55 114.93 115.95 1p7m h MET 105 Ca 0.18 -0.23 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 1p7m h MET 105 Cb 0.30 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1p7m h MET 105 CO -0.00 0.82 0.17 0.93 -0.40 0.00 0.00 176.91 178.43 1p7m h GLU 106 N 0.61 0.81 0.00 0.39 4.39 -1.17 0.50 114.58 120.12 1p7m h GLU 106 Ca 0.13 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1p7m h GLU 106 Cb 0.46 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1p7m h GLU 106 CO 0.02 0.71 0.00 -0.56 -1.16 0.00 0.00 179.01 178.02 1p7m h GLN 107 N 0.79 0.00 0.00 2.33 3.07 -0.98 0.66 115.11 120.99 1p7m h GLN 107 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1p7m h GLN 107 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1p7m h GLN 107 CO -0.01 0.00 -1.03 -1.71 0.09 0.00 0.00 178.83 176.17 1p7m n ASN 108 N -2.89 0.63 -1.09 0.06 2.85 0.15 -4.95 115.26 110.02 1p7m n ASN 108 Ca -0.01 -0.01 -0.11 0.00 -0.11 0.00 0.00 54.58 54.35 1p7m n ASN 108 Cb 0.15 0.70 -0.02 0.00 1.24 0.00 0.00 39.78 41.84 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 1.31 0.30 3.11 8.20 0.00 0.23 -4.99 105.19 113.36 1p7m n GLY 109 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.05 1.98 0.35 1.61 0.41 -1.10 -5.01 118.70 112.89 1p7m s GLU 110 Ca 0.00 -1.74 -0.26 0.00 -0.41 0.00 0.00 54.97 52.55 1p7m s GLU 110 Cb 0.00 -3.46 -0.12 0.00 -1.78 0.00 0.00 34.13 28.77 1p7m s GLU 110 CO 0.00 -0.98 1.04 -2.30 -0.49 0.00 0.00 175.26 172.53 1p7m n PRO 111 N 4.54 1.46 -0.24 0.39 -0.02 -1.26 -4.71 135.00 135.16 1p7m n PRO 111 Ca -0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1p7m n PRO 111 Cb 0.42 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 32.02 1p7m n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1p7m h PHE 112 N 1.87 0.65 0.00 6.00 -1.00 -1.96 -1.75 116.94 120.75 1p7m h PHE 112 Ca -0.43 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.30 1p7m h PHE 112 Cb 1.33 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 1p7m h PHE 112 CO 0.46 0.27 -0.40 0.00 -1.61 0.00 0.00 178.31 177.03 1p7m h ALA 113 N 1.40 1.11 -0.20 2.45 0.00 -1.87 -2.79 119.26 119.34 1p7m h ALA 113 Ca 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p7m h ALA 113 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1p7m h ALA 113 CO -0.23 0.50 0.11 -0.44 0.00 0.00 0.00 179.25 179.19 1p7m h ASP 114 N 0.00 0.26 0.55 0.00 5.19 -1.66 0.13 116.42 120.89 1p7m h ASP 114 Ca -0.00 -0.10 -0.21 0.00 -0.62 0.00 0.00 57.03 56.10 1p7m h ASP 114 Cb 0.83 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1p7m h ASP 114 CO 0.05 0.28 -0.93 2.19 -3.12 0.00 0.00 179.24 177.72 1p7m h PHE 115 N 0.22 0.36 0.27 4.55 -0.00 -1.57 -2.68 116.94 118.09 1p7m h PHE 115 Ca 0.07 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.97 57.82 1p7m h PHE 115 Cb 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.00 1p7m h PHE 115 CO -0.03 1.04 -0.13 0.28 -0.00 0.00 0.00 178.31 179.47 1p7m h VAL 116 N 0.13 0.69 0.00 0.88 2.07 -1.33 -2.73 116.25 115.95 1p7m h VAL 116 Ca -0.06 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1p7m h VAL 116 Cb 1.57 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1p7m h VAL 116 CO 0.15 0.14 -0.00 -0.50 0.02 0.00 0.00 177.57 177.38 1p7m h TRP 117 N -0.84 0.00 -0.23 1.57 4.06 -0.85 -1.26 115.95 118.40 1p7m h TRP 117 Ca -0.04 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.75 1p7m h TRP 117 Cb 0.51 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1p7m h TRP 117 CO 0.05 0.00 -0.50 0.66 -3.56 0.00 0.00 178.44 175.08 1p7m h SER 118 N 0.00 0.70 -0.27 -3.49 4.64 -1.25 2.49 113.55 116.37 1p7m h SER 118 Ca -0.00 -0.36 -0.08 0.00 -0.47 0.00 0.00 61.79 60.88 1p7m h SER 118 Cb 0.00 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1p7m h SER 118 CO 0.00 1.08 -0.08 -0.26 -0.87 0.00 0.00 176.83 176.70 1p7m h PHE 119 N 0.50 0.71 -0.31 4.77 0.04 -0.93 -1.38 116.94 120.34 1p7m h PHE 119 Ca 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1p7m h PHE 119 Cb 1.05 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1p7m h PHE 119 CO 0.05 0.72 0.00 0.28 -0.60 0.00 0.00 178.31 178.76 1p7m n VAL 120 N -4.20 0.79 -3.28 -0.55 0.31 -1.10 -4.84 118.33 105.47 1p7m n VAL 120 Ca 0.01 -0.54 -0.23 0.00 -0.01 0.00 0.00 64.34 63.57 1p7m n VAL 120 Cb 0.33 -0.02 0.05 0.00 -0.91 0.00 0.00 33.84 33.28 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1p7m n ASN 121 N 0.42 -6.08 -1.73 4.52 5.03 -0.52 -1.52 115.26 115.37 1p7m n ASN 121 Ca 0.12 -0.40 -0.07 0.00 0.87 0.00 0.00 54.58 55.10 1p7m n ASN 121 Cb 0.45 -4.87 -0.02 0.00 -1.02 0.00 0.00 39.78 34.33 1p7m n ASN 121 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1p7m n HIS 122 N -4.68 -1.10 -4.23 3.10 8.25 0.83 -4.88 115.22 112.51 1p7m n HIS 122 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 1p7m n HIS 122 Cb 0.59 -1.87 -0.12 0.00 1.12 0.00 0.00 29.99 29.71 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 -3.60 0.89 0.43 -0.41 -1.52 -0.58 -5.08 119.66 109.79 1p7m s GLN 123 Ca 0.00 -0.94 -0.25 0.00 -1.95 0.00 0.00 55.36 52.23 1p7m s GLN 123 Cb 0.00 -0.93 -0.08 0.00 -0.22 0.00 0.00 33.01 31.78 1p7m s GLN 123 CO 0.00 0.21 1.24 -1.25 -0.25 0.00 0.00 175.29 175.24 1p7m s PRO 124 N -1.62 3.85 -0.08 2.91 0.04 -1.26 -4.86 135.00 133.97 1p7m s PRO 124 Ca -0.00 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1p7m s PRO 124 Cb -0.10 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1p7m s PRO 124 CO 0.02 -0.53 -0.09 -1.14 0.04 0.00 0.00 177.00 175.30 1p7m s GLN 125 N -2.44 2.91 -0.11 4.56 2.00 0.61 -4.95 119.66 122.24 1p7m s GLN 125 Ca 0.60 -0.59 -0.18 0.00 -2.00 0.00 0.00 55.36 53.19 1p7m s GLN 125 Cb -0.34 -2.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.83 1p7m s GLN 125 CO 0.42 0.53 0.46 -1.64 -0.50 0.00 0.00 175.29 174.56 1p7m s MET 126 N -0.47 4.29 0.01 1.67 -1.94 -1.26 -0.01 119.30 121.60 1p7m s MET 126 Ca 0.07 0.42 -0.18 0.00 -1.71 0.00 0.00 55.69 54.29 1p7m s MET 126 Cb -0.12 -3.41 -0.30 0.00 2.01 0.00 0.00 34.83 33.00 1p7m s MET 126 CO 0.02 0.22 1.02 1.15 -0.01 0.00 0.00 175.02 177.42 1p7m h THR 127 N 4.60 1.37 -5.97 2.05 2.02 -1.61 -3.48 112.91 111.90 1p7m h THR 127 Ca -0.42 -2.48 -0.41 0.00 0.77 0.00 0.00 66.41 63.88 1p7m h THR 127 Cb 1.18 2.91 0.08 0.00 -1.74 0.00 0.00 68.15 70.58 1p7m h THR 127 CO 0.74 0.73 -0.76 0.00 0.37 0.00 0.00 175.52 176.60 1p7m n GLN 128 N -3.94 -6.28 -4.02 6.66 6.02 -1.26 -4.97 117.38 109.59 1p7m n GLN 128 Ca -0.14 0.73 -0.36 0.00 -0.01 0.00 0.00 57.00 57.21 1p7m n GLN 128 Cb 0.92 -5.61 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 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 -3.42 3.71 -0.12 -1.58 0.00 -1.26 -4.95 121.76 114.15 1p7m s ALA 129 Ca 0.31 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.77 1p7m s ALA 129 Cb -0.14 -1.82 -0.24 0.00 0.00 0.00 0.00 23.12 20.91 1p7m s ALA 129 CO 0.77 0.62 0.48 0.25 0.00 0.00 0.00 175.76 177.89 1p7m n THR 130 N 1.95 0.69 -4.14 0.00 -2.24 -1.26 0.20 114.28 109.49 1p7m n THR 130 Ca -0.19 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1p7m n THR 130 Cb 0.54 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1p7m n THR 130 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p7m s THR 131 N -3.09 0.08 0.36 4.28 -4.23 -1.26 -4.48 115.64 107.30 1p7m s THR 131 Ca -0.07 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1p7m s THR 131 Cb 0.10 -2.10 0.23 0.00 1.34 0.00 0.00 72.50 72.07 1p7m s THR 131 CO 0.86 -0.36 1.98 -0.07 -0.54 0.00 0.00 174.62 176.48 1p7m h LEU 132 N 2.78 0.58 -1.71 4.79 4.07 -1.93 -1.03 115.31 122.85 1p7m h LEU 132 Ca -0.35 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.53 1p7m h LEU 132 Cb 1.21 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 1p7m h LEU 132 CO 0.56 0.49 -0.18 0.77 -1.08 0.00 0.00 178.44 179.00 1p7m h SER 133 N 0.65 0.00 0.00 -0.43 4.64 -2.01 -0.89 113.55 115.50 1p7m h SER 133 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1p7m h SER 133 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1p7m h SER 133 CO -0.02 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 1p7m n GLU 134 N -3.97 0.94 -3.22 4.77 -0.58 -0.39 -4.72 120.64 113.46 1p7m n GLU 134 Ca -0.02 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 1p7m n GLU 134 Cb 0.26 -1.31 -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 -1.50 -0.48 0.00 0.00 177.13 175.15 1p7m s ILE 135 N -2.00 5.09 0.20 -3.67 1.10 -0.34 -4.78 121.20 116.80 1p7m s ILE 135 Ca 0.28 0.99 -0.30 0.00 -0.51 0.00 0.00 60.65 61.11 1p7m s ILE 135 Cb 0.13 -3.86 -0.08 0.00 0.15 0.00 0.00 42.46 38.80 1p7m s ILE 135 CO 0.22 0.16 0.96 -2.16 -2.11 0.00 0.00 174.94 172.01 1p7m s PRO 136 N 1.72 4.79 -0.09 3.50 0.04 -1.26 -4.94 135.00 138.76 1p7m s PRO 136 Ca 0.25 1.50 0.15 0.00 0.04 0.00 0.00 61.00 62.94 1p7m s PRO 136 Cb -0.15 -3.31 0.48 0.00 0.04 0.00 0.00 34.50 31.56 1p7m s PRO 136 CO 0.10 0.39 1.40 0.25 0.04 0.00 0.00 177.00 179.19 1p7m n THR 137 N 1.91 1.62 -3.11 1.26 -2.24 -1.26 -4.75 114.28 107.72 1p7m n THR 137 Ca -0.00 -1.33 -0.10 0.00 -2.27 0.00 0.00 64.05 60.34 1p7m n THR 137 Cb 0.48 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1p7m n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1p7m s SER 138 N -1.28 -0.40 0.20 3.42 1.04 -1.26 -4.32 113.70 111.10 1p7m s SER 138 Ca 0.36 -1.71 0.06 0.00 0.48 0.00 0.00 55.95 55.14 1p7m s SER 138 Cb 0.24 1.22 -0.04 0.00 0.10 0.00 0.00 66.02 67.55 1p7m s SER 138 CO 0.16 -0.14 0.18 0.42 0.98 0.00 0.00 173.24 174.83 1p7m s THR 139 N 1.08 4.56 0.29 2.02 -4.23 -1.26 -4.88 115.64 113.22 1p7m s THR 139 Ca 0.24 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1p7m s THR 139 Cb -0.04 -3.39 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1p7m s THR 139 CO -0.07 -0.21 1.77 1.55 -0.54 0.00 0.00 174.62 177.11 1p7m h PRO 140 N 1.98 0.69 -0.25 3.99 0.13 -2.01 0.86 132.00 137.39 1p7m h PRO 140 Ca -0.48 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 1p7m h PRO 140 Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1p7m h PRO 140 CO 0.62 0.46 -0.45 0.00 -0.23 0.00 0.00 178.00 178.40 1p7m h ALA 141 N 1.64 0.40 -0.44 -0.56 0.00 -1.95 -1.38 119.26 116.96 1p7m h ALA 141 Ca 0.56 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1p7m h ALA 141 Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1p7m h ALA 141 CO -0.39 0.54 0.11 0.66 0.00 0.00 0.00 179.25 180.17 1p7m h SER 142 N 0.50 0.67 -0.50 0.00 4.64 -1.29 -2.41 113.55 115.15 1p7m h SER 142 Ca 0.02 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1p7m h SER 142 Cb 1.05 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 1p7m h SER 142 CO 0.10 0.72 0.21 0.44 -0.87 0.00 0.00 176.83 177.43 1p7m h ASP 143 N 0.58 0.73 0.08 4.97 3.32 0.69 -1.69 116.42 125.10 1p7m h ASP 143 Ca 0.14 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1p7m h ASP 143 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1p7m h ASP 143 CO 0.00 0.66 -0.14 0.00 -1.72 0.00 0.00 179.24 178.05 1p7m h ALA 144 N 1.44 1.61 -0.09 3.45 0.00 -0.78 -2.53 119.26 122.37 1p7m h ALA 144 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1p7m h ALA 144 Cb 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p7m h ALA 144 CO -0.02 0.29 -0.12 -0.07 0.00 0.00 0.00 179.25 179.33 1p7m h LEU 145 N 0.13 0.25 -0.46 0.00 3.38 -0.88 -0.41 115.31 117.33 1p7m h LEU 145 Ca 0.03 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.51 1p7m h LEU 145 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1p7m h LEU 145 CO 0.02 0.73 0.24 0.28 0.09 0.00 0.00 178.44 179.80 1p7m h SER 146 N -0.21 0.35 -0.28 -0.43 0.02 -1.25 1.30 113.55 113.05 1p7m h SER 146 Ca 0.01 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1p7m h SER 146 Cb 0.67 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1p7m h SER 146 CO 0.03 0.25 -0.47 0.07 -1.14 0.00 0.00 176.83 175.57 1p7m h LYS 147 N 0.48 0.86 -0.15 3.45 2.10 -1.48 0.62 116.57 122.44 1p7m h LYS 147 Ca 0.20 -0.49 -0.10 0.00 -2.00 0.00 0.00 60.65 58.25 1p7m h LYS 147 Cb 0.09 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1p7m h LYS 147 CO -0.13 1.13 -0.31 0.00 -2.00 0.00 0.00 179.45 178.14 1p7m h ALA 148 N 0.78 0.24 -0.36 0.07 0.00 -0.58 -2.65 119.26 116.77 1p7m h ALA 148 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1p7m h ALA 148 Cb 1.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1p7m h ALA 148 CO 0.11 0.27 -0.15 -0.07 0.00 0.00 0.00 179.25 179.41 1p7m h LEU 149 N 0.09 0.63 -0.71 0.00 3.38 0.17 -2.58 115.31 116.28 1p7m h LEU 149 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1p7m h LEU 149 Cb 0.91 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1p7m h LEU 149 CO 0.07 0.80 0.42 0.50 0.09 0.00 0.00 178.44 180.32 1p7m h LYS 150 N 0.58 0.98 -0.13 1.13 3.64 -0.82 -1.45 116.57 120.50 1p7m h LYS 150 Ca 0.10 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1p7m h LYS 150 Cb 0.59 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1p7m h LYS 150 CO 0.04 0.70 -0.34 0.87 -2.27 0.00 0.00 179.45 178.46 1p7m h LYS 151 N 0.98 0.25 0.00 1.90 1.57 -1.18 -2.14 116.57 117.95 1p7m h LYS 151 Ca 0.25 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1p7m h LYS 151 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1p7m h LYS 151 CO -0.05 0.56 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 1p7m n ARG 152 N -4.09 0.07 -0.29 3.15 5.12 -0.94 -4.77 116.66 114.91 1p7m n ARG 152 Ca -0.01 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1p7m n ARG 152 Cb 0.43 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p7m n GLY 153 N -0.26 0.83 3.58 -0.13 0.00 -0.80 -4.58 105.19 103.81 1p7m n GLY 153 Ca 0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 0.42 1.61 0.40 -0.59 -4.33 117.98 116.71 1p7m s PHE 154 Ca 0.00 0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1p7m s PHE 154 Cb 0.00 -2.65 0.09 0.00 0.51 0.00 0.00 43.02 40.96 1p7m s PHE 154 CO 0.00 -0.34 0.57 1.63 0.70 0.00 0.00 175.22 177.78 1p7m n LYS 155 N 5.40 0.08 -4.02 0.44 5.02 -1.26 -3.99 118.16 119.83 1p7m n LYS 155 Ca -0.08 -1.42 -0.27 0.00 -2.02 0.00 0.00 58.31 54.51 1p7m n LYS 155 Cb 0.50 -0.42 -0.03 0.00 -0.02 0.00 0.00 35.03 35.06 1p7m n LYS 155 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1p7m n PHE 156 N -2.31 -1.63 -2.00 2.13 1.16 -1.26 -4.86 117.46 108.68 1p7m n PHE 156 Ca 0.09 0.74 -0.24 0.00 -1.87 0.00 0.00 57.45 56.17 1p7m n PHE 156 Cb 0.32 -3.57 0.02 0.00 -1.61 0.00 0.00 39.48 34.64 1p7m n PHE 156 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1p7m n VAL 157 N -4.42 2.55 -0.81 1.97 0.24 -1.26 -4.31 118.33 112.29 1p7m n VAL 157 Ca -0.26 -4.19 -0.34 0.00 -2.04 0.00 0.00 64.34 57.51 1p7m n VAL 157 Cb 0.66 -1.14 0.12 0.00 -1.47 0.00 0.00 33.84 32.01 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 -0.72 -2.68 0.34 7.63 0.00 -1.26 -4.52 105.19 103.99 1p7m n GLY 158 Ca 0.44 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.58 0.94 -0.13 2.61 2.02 -1.95 -0.14 112.91 114.67 1p7m h THR 159 Ca -0.46 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.42 1p7m h THR 159 Cb 1.32 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1p7m h THR 159 CO 0.32 0.08 -0.56 0.71 0.37 0.00 0.00 175.52 176.44 1p7m h THR 160 N 0.42 1.35 -0.57 3.16 1.35 -1.87 -2.44 112.91 114.31 1p7m h THR 160 Ca 0.24 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1p7m h THR 160 Cb 0.41 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1p7m h THR 160 CO -0.06 0.56 0.36 0.40 -0.25 0.00 0.00 175.52 176.52 1p7m h ILE 161 N 0.30 1.16 -0.18 6.82 1.08 -1.31 -0.69 117.51 124.69 1p7m h ILE 161 Ca 0.00 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1p7m h ILE 161 Cb 1.07 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1p7m h ILE 161 CO 0.10 0.16 -0.18 0.00 -0.69 0.00 0.00 178.15 177.54 1p7m h TYR 163 N 0.28 0.60 -0.56 0.00 3.20 -0.80 -1.62 116.97 118.06 1p7m h TYR 163 Ca 0.05 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1p7m h TYR 163 Cb 0.48 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1p7m h TYR 163 CO 0.01 0.81 0.13 0.66 -1.64 0.00 0.00 178.16 178.12 1p7m h SER 164 N 0.23 0.81 -0.82 -2.11 4.64 -0.93 -2.03 113.55 113.34 1p7m h SER 164 Ca 0.05 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1p7m h SER 164 Cb 0.66 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1p7m h SER 164 CO 0.04 0.80 0.50 0.15 -0.87 0.00 0.00 176.83 177.45 1p7m h PHE 165 N 0.83 1.08 -0.98 4.77 3.57 -1.08 -1.68 116.94 123.45 1p7m h PHE 165 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1p7m h PHE 165 Cb 0.31 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1p7m h PHE 165 CO 0.02 0.72 0.64 0.52 -2.23 0.00 0.00 178.31 177.98 1p7m h MET 166 N 1.12 1.25 0.07 1.11 2.86 -0.55 0.12 114.93 120.91 1p7m h MET 166 Ca 0.29 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.76 1p7m h MET 166 Cb -0.05 -0.28 0.01 0.00 0.06 0.00 0.00 31.60 31.34 1p7m h MET 166 CO -0.06 0.82 -0.43 -0.56 1.06 0.00 0.00 176.91 177.75 1p7m h GLN 167 N 1.28 0.15 0.00 1.72 3.07 -1.27 -2.94 115.11 117.12 1p7m h GLN 167 Ca 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1p7m h GLN 167 Cb -0.08 0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1p7m h GLN 167 CO -0.10 1.12 0.00 0.00 0.09 0.00 0.00 178.83 179.94 1p7m h ALA 168 N 0.03 1.00 0.00 0.06 0.00 -1.27 -2.27 119.26 116.81 1p7m h ALA 168 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1p7m h ALA 168 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1p7m h ALA 168 CO 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 179.00 1p7m n GLY 170 N 1.14 0.67 0.26 0.00 0.00 -1.07 -4.13 105.19 102.06 1p7m n GLY 170 Ca 0.03 0.00 -0.03 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 0.56 -8.02 0.99 3.38 -1.77 -3.43 115.31 107.02 1p7m h LEU 171 Ca 0.00 -0.15 -0.45 0.00 0.09 0.00 0.00 57.88 57.37 1p7m h LEU 171 Cb 0.00 -0.15 -0.31 0.00 0.09 0.00 0.00 40.66 40.29 1p7m h LEU 171 CO 0.00 0.71 -0.80 0.68 0.09 0.00 0.00 178.44 179.12 1p7m s VAL 172 N -4.76 0.90 0.31 1.22 -7.23 -1.13 -0.28 120.40 109.42 1p7m s VAL 172 Ca -0.08 -0.43 0.09 0.00 -1.81 0.00 0.00 61.98 59.76 1p7m s VAL 172 Cb 0.14 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1p7m s VAL 172 CO 0.79 0.27 0.01 0.20 -0.31 0.00 0.00 175.10 176.06 1p7m s ASN 173 N 0.15 4.35 0.00 4.85 0.01 0.99 -4.68 114.94 120.60 1p7m s ASN 173 Ca -0.03 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 1p7m s ASN 173 Cb -0.09 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 40.91 1p7m s ASN 173 CO 0.01 -0.14 0.00 0.47 -1.51 0.00 0.00 177.10 175.93 1p7m n ASP 174 N -0.94 -0.80 0.00 -1.22 8.00 -1.26 -2.10 116.55 118.24 1p7m n ASP 174 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1p7m n ASP 174 Cb 0.61 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1p7m n ASP 174 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1p7m n HIS 175 N -0.22 0.00 -4.09 1.24 8.25 -1.26 -4.30 115.22 114.84 1p7m n HIS 175 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1p7m n HIS 175 Cb 0.02 -0.47 -0.12 0.00 1.12 0.00 0.00 29.99 30.54 1p7m n HIS 175 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1p7m s VAL 176 N -2.88 0.56 0.18 1.59 -7.23 -1.26 -4.55 120.40 106.81 1p7m s VAL 176 Ca 0.00 -0.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.91 1p7m s VAL 176 Cb 0.00 -0.60 -0.10 0.00 0.56 0.00 0.00 36.38 36.24 1p7m s VAL 176 CO 0.00 -0.29 1.56 -0.69 -0.31 0.00 0.00 175.10 175.37 1p7m s VAL 177 N -1.16 2.58 0.00 1.32 1.01 0.53 -2.27 120.40 122.41 1p7m s VAL 177 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1p7m s VAL 177 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1p7m s VAL 177 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1p7m n GLY 178 N 3.48 0.71 3.65 4.51 0.00 -1.26 -4.88 105.19 111.39 1p7m n GLY 178 Ca 0.13 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.57 2.83 -0.13 0.00 -0.85 0.46 -4.85 117.35 111.24 1p7m s TYR 182 Ca 0.30 0.36 -0.37 0.00 -0.52 0.00 0.00 57.07 56.85 1p7m s TYR 182 Cb -0.15 -4.09 -0.14 0.00 0.38 0.00 0.00 41.96 37.96 1p7m s TYR 182 CO 0.85 -4.16 1.77 -2.30 -1.52 0.00 0.00 175.55 170.19 1p7m n PRO 183 N 4.24 1.70 0.00 -3.49 -0.02 -1.26 -4.70 135.00 131.48 1p7m n PRO 183 Ca 0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1p7m n PRO 183 Cb 0.36 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.13 0.00 0.00 -1.23 0.00 -1.26 -4.98 105.19 101.84 1p7m n GLY 184 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.21 0.00 -4.76 1.61 5.03 -1.26 -4.91 115.26 110.76 1p7m n ASN 185 Ca 0.00 0.19 -0.36 0.00 0.87 0.00 0.00 54.58 55.28 1p7m n ASN 185 Cb 0.00 -0.35 0.02 0.00 -1.02 0.00 0.00 39.78 38.43 1p7m n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1p7m s LYS 186 N -0.71 3.18 0.00 3.52 1.02 -1.26 -5.31 119.74 120.18 1p7m s LYS 186 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.74 1p7m s LYS 186 Cb 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1p7m s LYS 186 CO 0.00 -1.02 0.00 -2.30 -0.92 0.00 0.00 175.35 171.11