#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 3.49 0.77 0.03 -1.05 -1.26 -4.28 118.70 116.40 1p7m s GLU 2 Ca 0.00 -0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.24 1p7m s GLU 2 Cb 0.00 -2.92 -0.03 0.00 -0.44 0.00 0.00 34.13 30.73 1p7m s GLU 2 CO 0.00 0.49 0.40 0.54 0.95 0.00 0.00 175.26 177.64 1p7m n ARG 3 N -0.35 0.15 -1.61 -4.83 1.74 -1.26 -1.09 116.66 109.41 1p7m n ARG 3 Ca -0.05 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 1p7m n ARG 3 Cb 0.53 -1.76 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1p7m n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p7m h GLY 5 N -0.32 1.28 0.25 0.00 0.00 -2.02 -2.64 103.07 99.63 1p7m h GLY 5 Ca -0.46 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1p7m h GLY 5 CO 0.53 0.49 -0.17 -2.67 0.00 0.00 0.00 176.54 174.73 1p7m n TRP 6 N -4.38 0.00 0.01 5.60 4.27 -1.26 -3.80 117.44 117.87 1p7m n TRP 6 Ca 0.10 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.61 1p7m n TRP 6 Cb 0.04 -0.11 -0.14 0.00 -1.36 0.00 0.00 31.31 29.74 1p7m n TRP 6 CO 0.00 0.00 0.00 -0.39 -2.29 0.00 0.00 177.69 175.01 1p7m h VAL 7 N 1.27 1.05 0.00 -1.67 -1.51 -1.79 -3.15 116.25 110.46 1p7m h VAL 7 Ca 0.00 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.63 1p7m h VAL 7 Cb 0.46 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 1p7m h VAL 7 CO 0.00 0.67 0.00 0.28 -1.23 0.00 0.00 177.57 177.29 1p7m h SER 8 N 0.02 0.00 -0.91 4.19 0.02 -1.64 -1.64 113.55 113.59 1p7m h SER 8 Ca -0.23 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1p7m h SER 8 Cb 1.97 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.46 1p7m h SER 8 CO 0.10 0.00 0.60 -0.61 -1.14 0.00 0.00 176.83 175.79 1p7m h GLN 9 N 0.00 1.19 -4.04 3.45 4.15 -1.70 -3.44 115.11 114.71 1p7m h GLN 9 Ca 0.00 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 1p7m h GLN 9 Cb 0.13 -0.27 -0.14 0.00 0.21 0.00 0.00 27.48 27.41 1p7m h GLN 9 CO 0.00 0.79 -0.53 -0.51 -1.93 0.00 0.00 178.83 176.65 1p7m s ASP 10 N -6.02 0.30 -0.06 -0.69 1.11 -0.62 -5.09 116.67 105.61 1p7m s ASP 10 Ca -0.13 -0.85 -0.19 0.00 0.18 0.00 0.00 52.55 51.56 1p7m s ASP 10 Cb 0.17 0.27 -0.14 0.00 1.07 0.00 0.00 42.92 44.29 1p7m s ASP 10 CO 0.80 -0.67 0.76 1.55 1.18 0.00 0.00 175.17 178.79 1p7m h PRO 11 N 2.94 -0.20 -0.68 8.23 0.13 -1.87 -3.30 132.00 137.25 1p7m h PRO 11 Ca -0.34 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.97 1p7m h PRO 11 Cb 1.17 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1p7m h PRO 11 CO 0.61 0.21 0.47 1.37 -0.23 0.00 0.00 178.00 180.43 1p7m h LEU 12 N -0.91 0.18 -1.09 1.56 8.10 -1.98 0.08 115.31 121.24 1p7m h LEU 12 Ca -0.02 0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.06 1p7m h LEU 12 Cb 0.50 -0.02 -0.07 0.00 -0.44 0.00 0.00 40.66 40.63 1p7m h LEU 12 CO 0.04 0.09 0.61 1.88 -4.11 0.00 0.00 178.44 176.95 1p7m h TYR 13 N 0.19 1.10 -0.92 0.17 0.05 -1.86 -0.77 116.97 114.93 1p7m h TYR 13 Ca 0.33 0.03 0.14 0.00 0.05 0.00 0.00 58.73 59.28 1p7m h TYR 13 Cb 1.03 -0.36 -0.09 0.00 1.01 0.00 0.00 36.73 38.32 1p7m h TYR 13 CO -0.00 0.54 0.53 0.82 -1.05 0.00 0.00 178.16 179.01 1p7m h ILE 14 N 1.05 0.80 -0.03 -2.88 5.03 -1.10 0.21 117.51 120.59 1p7m h ILE 14 Ca 0.42 -0.27 -0.00 0.00 -0.12 0.00 0.00 64.86 64.89 1p7m h ILE 14 Cb 0.26 -0.05 -0.00 0.00 -3.03 0.00 0.00 36.82 34.00 1p7m h ILE 14 CO -0.18 0.14 0.01 0.00 -0.68 0.00 0.00 178.15 177.45 1p7m h ALA 15 N 1.56 0.04 -0.66 1.87 0.00 -1.24 0.41 119.26 121.24 1p7m h ALA 15 Ca 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1p7m h ALA 15 Cb 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1p7m h ALA 15 CO -0.32 -0.38 0.37 -0.92 0.00 0.00 0.00 179.25 178.00 1p7m h TYR 16 N -0.11 0.91 -0.45 0.00 3.20 -1.09 -2.37 116.97 117.06 1p7m h TYR 16 Ca 0.01 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1p7m h TYR 16 Cb 0.16 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1p7m h TYR 16 CO -0.02 0.64 -0.12 1.25 -1.64 0.00 0.00 178.16 178.28 1p7m h HIS 17 N 0.91 0.90 0.00 -3.82 2.76 -0.41 -3.01 115.15 112.48 1p7m h HIS 17 Ca 0.23 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1p7m h HIS 17 Cb 0.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1p7m h HIS 17 CO -0.01 0.89 0.00 -0.25 -1.30 0.00 0.00 177.93 177.26 1p7m n ASP 18 N -4.16 0.49 0.00 3.26 8.00 0.14 -4.21 116.55 120.07 1p7m n ASP 18 Ca 0.01 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1p7m n ASP 18 Cb 0.38 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.01 0.00 0.00 -2.24 0.23 -0.96 -5.02 115.26 105.26 1p7m n ASN 19 Ca 0.04 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1p7m n ASN 19 Cb 0.28 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 -2.06 0.00 -4.00 -3.83 1.02 -1.25 -5.03 120.64 105.49 1p7m n GLU 20 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1p7m n GLU 20 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 -2.11 -1.61 0.00 -0.32 -0.00 -1.26 -4.18 117.44 107.96 1p7m n TRP 21 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.50 58.23 1p7m n TRP 21 Cb 0.00 -3.63 0.00 0.00 -0.00 0.00 0.00 31.31 27.68 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 -2.03 0.79 0.00 5.87 0.00 -0.94 -4.73 105.19 104.15 1p7m n GLY 22 Ca -0.30 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1p7m n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p7m n VAL 23 N 0.00 0.00 -3.33 1.61 3.14 -1.26 -4.69 118.33 113.80 1p7m n VAL 23 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 1p7m n VAL 23 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1p7m s PRO 24 N -0.71 3.65 0.73 1.45 0.04 -1.25 -4.95 135.00 133.96 1p7m s PRO 24 Ca 0.00 0.04 -0.13 0.00 0.04 0.00 0.00 61.00 60.95 1p7m s PRO 24 Cb 0.00 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1p7m s PRO 24 CO 0.00 0.22 1.14 -2.00 0.04 0.00 0.00 177.00 176.39 1p7m s GLU 25 N -3.49 2.28 -0.05 4.56 2.12 -1.26 -3.95 118.70 118.91 1p7m s GLU 25 Ca 0.44 1.47 -0.18 0.00 0.36 0.00 0.00 54.97 57.07 1p7m s GLU 25 Cb -0.11 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.35 1p7m s GLU 25 CO 0.29 -1.67 0.49 0.95 -0.54 0.00 0.00 175.26 174.79 1p7m s THR 26 N -2.39 5.06 0.21 -1.70 -4.23 -1.26 -4.93 115.64 106.40 1p7m s THR 26 Ca 0.68 1.00 0.04 0.00 -1.18 0.00 0.00 61.69 62.23 1p7m s THR 26 Cb -0.22 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 1p7m s THR 26 CO 0.47 0.42 0.34 -0.62 -0.54 0.00 0.00 174.62 174.69 1p7m s ASP 27 N -0.07 6.33 0.32 3.99 2.15 -1.26 -4.92 116.67 123.21 1p7m s ASP 27 Ca 0.27 0.12 0.02 0.00 0.43 0.00 0.00 52.55 53.39 1p7m s ASP 27 Cb -0.16 -1.88 0.60 0.00 -0.30 0.00 0.00 42.92 41.18 1p7m s ASP 27 CO 0.13 -0.03 1.93 0.28 -0.17 0.00 0.00 175.17 177.31 1p7m h SER 28 N 1.51 0.82 -0.36 -0.34 0.02 -1.97 -2.45 113.55 110.79 1p7m h SER 28 Ca -0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1p7m h SER 28 Cb 1.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1p7m h SER 28 CO 0.64 0.53 0.20 0.11 -1.14 0.00 0.00 176.83 177.17 1p7m h LYS 29 N 0.93 0.49 -0.64 3.45 1.79 -2.02 -2.61 116.57 117.96 1p7m h LYS 29 Ca 0.35 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 1p7m h LYS 29 Cb 0.19 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1p7m h LYS 29 CO -0.12 0.39 0.35 0.87 -1.08 0.00 0.00 179.45 179.86 1p7m h LYS 30 N 0.46 0.89 -0.96 3.15 1.57 -1.84 -2.24 116.57 117.60 1p7m h LYS 30 Ca 0.13 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1p7m h LYS 30 Cb 0.04 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 1p7m h LYS 30 CO -0.02 0.66 0.62 -0.07 -0.57 0.00 0.00 179.45 180.06 1p7m h LEU 31 N 0.90 0.97 0.20 2.94 -0.00 -1.22 0.86 115.31 119.96 1p7m h LEU 31 Ca 0.23 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1p7m h LEU 31 Cb 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 1p7m h LEU 31 CO -0.04 0.61 -0.10 -0.26 -0.00 0.00 0.00 178.44 178.66 1p7m h PHE 32 N 1.10 -0.26 -0.01 1.13 0.04 -1.30 -2.10 116.94 115.54 1p7m h PHE 32 Ca 0.42 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 61.06 1p7m h PHE 32 Cb 0.21 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1p7m h PHE 32 CO -0.00 0.14 -0.55 1.05 -0.60 0.00 0.00 178.31 178.35 1p7m h GLU 33 N -0.78 0.04 0.14 1.51 4.11 -1.39 -2.87 114.58 115.33 1p7m h GLU 33 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1p7m h GLU 33 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1p7m h GLU 33 CO 0.05 0.58 -0.07 1.98 0.07 0.00 0.00 179.01 181.62 1p7m h MET 34 N 0.03 -0.18 -0.08 1.06 4.05 0.72 -2.41 114.93 118.12 1p7m h MET 34 Ca -0.00 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1p7m h MET 34 Cb 0.98 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1p7m h MET 34 CO 0.07 0.16 -0.17 0.97 0.23 0.00 0.00 176.91 178.18 1p7m h ILE 35 N -0.55 1.16 -0.26 1.77 6.09 -1.41 -1.77 117.51 122.55 1p7m h ILE 35 Ca -0.02 -0.75 -0.15 0.00 -1.37 0.00 0.00 64.86 62.57 1p7m h ILE 35 Cb 0.43 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 1p7m h ILE 35 CO 0.03 0.23 -0.46 0.00 -3.07 0.00 0.00 178.15 174.87 1p7m h LEU 37 N 0.53 0.93 -1.09 0.00 4.07 -1.03 -3.11 115.31 115.62 1p7m h LEU 37 Ca 0.03 -0.63 -0.04 0.00 0.08 0.00 0.00 57.88 57.32 1p7m h LEU 37 Cb 1.01 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 1p7m h LEU 37 CO 0.09 1.41 0.17 -0.33 -1.08 0.00 0.00 178.44 178.71 1p7m h GLU 38 N 0.52 0.82 -0.76 1.13 4.39 -1.32 -1.70 114.58 117.66 1p7m h GLU 38 Ca -0.05 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.57 1p7m h GLU 38 Cb 1.39 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 1p7m h GLU 38 CO 0.16 0.71 0.50 0.78 -1.16 0.00 0.00 179.01 180.00 1p7m h GLY 39 N 0.95 1.03 2.00 -3.84 0.00 -1.35 0.55 103.07 102.41 1p7m h GLY 39 Ca 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1p7m h GLY 39 CO -0.01 0.24 -0.38 1.46 0.00 0.00 0.00 176.54 177.84 1p7m h GLN 40 N 0.80 0.00 0.00 4.80 1.08 -1.26 -2.45 115.11 118.08 1p7m h GLN 40 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1p7m h GLN 40 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1p7m h GLN 40 CO -0.11 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.15 1p7m n GLN 41 N -3.87 0.50 -1.65 1.46 10.64 0.18 -4.45 117.38 120.19 1p7m n GLN 41 Ca -0.01 0.04 -0.46 0.00 -1.83 0.00 0.00 57.00 54.74 1p7m n GLN 41 Cb 0.44 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.28 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 -1.15 1.19 0.00 2.61 0.00 -0.92 -1.30 120.51 120.93 1p7m n ALA 42 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1p7m n ALA 42 Cb 0.13 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 16.97 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 4.82 1.45 3.88 0.00 0.00 -1.26 -4.94 105.19 109.13 1p7m n GLY 43 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1p7m n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p7m s LEU 44 N 0.00 4.15 0.72 0.99 2.01 -0.42 -5.05 118.68 121.08 1p7m s LEU 44 Ca 0.00 0.90 -0.15 0.00 0.01 0.00 0.00 54.13 54.89 1p7m s LEU 44 Cb 0.00 -3.67 0.03 0.00 0.01 0.00 0.00 46.19 42.56 1p7m s LEU 44 CO 0.00 -0.09 1.18 -0.44 1.01 0.00 0.00 176.35 178.01 1p7m s SER 45 N -2.46 4.35 0.22 2.29 0.01 -1.26 -4.61 113.70 112.23 1p7m s SER 45 Ca 0.47 2.27 -0.08 0.00 1.31 0.00 0.00 55.95 59.92 1p7m s SER 45 Cb -0.11 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.73 1p7m s SER 45 CO 0.22 -2.16 1.86 -0.25 0.41 0.00 0.00 173.24 173.32 1p7m h TRP 46 N -0.29 1.14 -0.62 2.43 2.91 -1.97 -2.09 115.95 117.46 1p7m h TRP 46 Ca -0.47 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.56 1p7m h TRP 46 Cb 1.28 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 1p7m h TRP 46 CO 0.49 0.77 0.41 0.97 -1.03 0.00 0.00 178.44 180.05 1p7m h ILE 47 N 1.17 1.11 -0.94 2.65 -0.00 -2.00 0.05 117.51 119.54 1p7m h ILE 47 Ca 0.30 -0.26 0.04 0.00 -0.00 0.00 0.00 64.86 64.93 1p7m h ILE 47 Cb -0.01 0.27 -0.05 0.00 -0.00 0.00 0.00 36.82 37.02 1p7m h ILE 47 CO -0.05 0.14 0.62 0.74 -0.00 0.00 0.00 178.15 179.60 1p7m h THR 48 N 0.77 1.16 -0.29 2.19 2.02 -1.73 -0.91 112.91 116.12 1p7m h THR 48 Ca 0.24 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1p7m h THR 48 Cb 0.02 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.29 1p7m h THR 48 CO -0.06 0.22 -0.29 0.58 0.37 0.00 0.00 175.52 176.33 1p7m h VAL 49 N 1.19 1.28 -0.14 3.16 2.07 -0.93 -2.76 116.25 120.12 1p7m h VAL 49 Ca 0.38 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1p7m h VAL 49 Cb 0.01 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1p7m h VAL 49 CO -0.11 0.44 0.00 0.25 0.02 0.00 0.00 177.57 178.17 1p7m h LEU 50 N 0.50 -0.05 -0.71 2.57 6.46 -0.42 1.38 115.31 125.04 1p7m h LEU 50 Ca 0.06 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1p7m h LEU 50 Cb 0.76 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.69 1p7m h LEU 50 CO 0.06 -0.01 0.42 0.11 -0.62 0.00 0.00 178.44 178.41 1p7m h LYS 51 N 0.05 0.77 0.00 1.25 6.56 -1.39 0.34 116.57 124.14 1p7m h LYS 51 Ca 0.07 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1p7m h LYS 51 Cb 0.08 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1p7m h LYS 51 CO -0.11 0.51 -0.00 0.87 -2.06 0.00 0.00 179.45 178.65 1p7m h LYS 52 N 0.79 0.00 -0.77 3.15 6.56 -0.93 -2.60 116.57 122.77 1p7m h LYS 52 Ca 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1p7m h LYS 52 Cb 0.13 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1p7m h LYS 52 CO -0.16 0.00 0.48 -0.09 -2.06 0.00 0.00 179.45 177.63 1p7m h ARG 53 N 0.00 1.04 -0.18 3.15 2.43 0.59 2.26 114.38 123.67 1p7m h ARG 53 Ca -0.00 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 1p7m h ARG 53 Cb 0.50 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1p7m h ARG 53 CO 0.00 0.72 -0.48 0.93 -1.51 0.00 0.00 179.97 179.63 1p7m h GLU 54 N 1.06 0.65 -0.03 0.20 5.08 -1.31 -2.59 114.58 117.64 1p7m h GLU 54 Ca 0.28 -0.46 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 1p7m h GLU 54 Cb -0.06 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1p7m h GLU 54 CO -0.05 1.08 -0.64 -0.91 -1.00 0.00 0.00 179.01 177.49 1p7m h ASN 55 N 0.33 0.62 -0.17 1.42 2.35 -1.27 -2.97 115.58 115.89 1p7m h ASN 55 Ca -0.01 -0.72 0.02 0.00 -0.55 0.00 0.00 56.30 55.04 1p7m h ASN 55 Cb 1.10 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 1p7m h ASN 55 CO 0.10 1.25 0.04 0.22 -1.65 0.00 0.00 177.43 177.39 1p7m h TYR 56 N 0.04 0.07 -0.32 1.19 3.20 0.37 -1.65 116.97 119.87 1p7m h TYR 56 Ca -0.07 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1p7m h TYR 56 Cb 1.32 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1p7m h TYR 56 CO 0.13 0.03 0.04 0.07 -1.64 0.00 0.00 178.16 176.79 1p7m h ARG 57 N 0.11 0.47 -0.26 1.82 -0.00 -1.56 -1.64 114.38 113.33 1p7m h ARG 57 Ca 0.08 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.98 59.92 1p7m h ARG 57 Cb 0.06 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 29.94 1p7m h ARG 57 CO -0.10 0.47 -0.09 0.00 -0.00 0.00 0.00 179.97 180.25 1p7m h ALA 58 N 1.59 1.36 -0.07 0.08 0.00 -1.17 1.00 119.26 122.05 1p7m h ALA 58 Ca 0.10 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1p7m h ALA 58 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p7m h ALA 58 CO 0.00 0.43 -0.41 0.00 0.00 0.00 0.00 179.25 179.27 1p7m h PHE 60 N -0.06 0.05 0.00 0.00 -1.00 -1.30 -3.46 116.94 111.18 1p7m h PHE 60 Ca -0.03 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1p7m h PHE 60 Cb 1.07 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1p7m h PHE 60 CO 0.13 1.43 0.00 1.58 -1.61 0.00 0.00 178.31 179.84 1p7m n HIS 61 N -4.38 0.00 -0.00 -0.55 -0.00 0.34 -4.64 115.22 106.00 1p7m n HIS 61 Ca -0.28 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.83 1p7m n HIS 61 Cb 0.68 -0.93 0.11 0.00 -0.12 0.00 0.00 29.99 29.73 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 0.54 -0.89 1.57 4.20 -1.90 -3.46 115.11 115.18 1p7m h GLN 62 Ca 0.00 -0.28 -0.19 0.00 0.06 0.00 0.00 58.65 58.24 1p7m h GLN 62 Cb 0.00 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 1p7m h GLN 62 CO 0.00 0.87 -0.17 1.19 -0.67 0.00 0.00 178.83 180.04 1p7m n PHE 63 N -4.02 -0.22 -3.59 2.96 3.01 -1.26 -4.87 117.46 109.47 1p7m n PHE 63 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.15 1p7m n PHE 63 Cb 0.52 -2.28 -0.15 0.00 -0.01 0.00 0.00 39.48 37.57 1p7m n PHE 63 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1p7m s ASP 64 N -1.90 3.61 0.47 4.37 -1.08 -1.26 -5.01 116.67 115.86 1p7m s ASP 64 Ca 0.00 -1.51 0.34 0.00 -0.52 0.00 0.00 52.55 50.85 1p7m s ASP 64 Cb 0.00 -0.51 1.47 0.00 -1.46 0.00 0.00 42.92 42.42 1p7m s ASP 64 CO 0.00 -0.41 1.65 -0.65 0.52 0.00 0.00 175.17 176.28 1p7m h PRO 65 N 8.13 0.09 -0.43 4.34 0.11 -1.96 0.11 132.00 142.38 1p7m h PRO 65 Ca -0.15 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.96 1p7m h PRO 65 Cb 1.00 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1p7m h PRO 65 CO 0.43 0.06 0.28 0.28 -0.21 0.00 0.00 178.00 178.84 1p7m h VAL 66 N 0.09 1.09 -0.19 3.15 2.07 -1.95 -1.78 116.25 118.74 1p7m h VAL 66 Ca 0.78 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 68.02 1p7m h VAL 66 Cb 2.64 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1p7m h VAL 66 CO -0.27 0.10 -0.26 0.11 0.02 0.00 0.00 177.57 177.27 1p7m h LYS 67 N 0.57 0.36 -0.90 1.57 6.56 -1.38 -2.62 116.57 120.72 1p7m h LYS 67 Ca 0.16 -0.13 0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1p7m h LYS 67 Cb -0.05 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.54 1p7m h LYS 67 CO -0.05 0.59 0.59 0.28 -2.06 0.00 0.00 179.45 178.81 1p7m h VAL 68 N 0.32 1.23 0.00 0.50 2.07 -1.17 0.47 116.25 119.68 1p7m h VAL 68 Ca 0.05 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1p7m h VAL 68 Cb 0.63 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1p7m h VAL 68 CO 0.05 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.84 1p7m h ALA 69 N 1.43 1.12 -0.00 1.67 0.00 -1.01 0.51 119.26 122.97 1p7m h ALA 69 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p7m h ALA 69 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p7m h ALA 69 CO -0.07 0.03 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 1p7m n ALA 70 N -2.15 2.82 -2.56 0.00 0.00 0.16 -4.68 120.51 114.11 1p7m n ALA 70 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1p7m n ALA 70 Cb 0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1p7m n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1p7m s MET 71 N -2.64 3.52 0.20 0.00 -1.94 0.18 -5.03 119.30 113.59 1p7m s MET 71 Ca 0.24 0.02 0.01 0.00 -1.71 0.00 0.00 55.69 54.24 1p7m s MET 71 Cb 0.19 -3.89 0.04 0.00 2.01 0.00 0.00 34.83 33.18 1p7m s MET 71 CO 0.52 -1.01 0.28 0.94 -0.01 0.00 0.00 175.02 175.74 1p7m n GLN 72 N 6.57 0.58 0.22 2.03 -0.06 -1.26 -4.91 117.38 120.55 1p7m n GLN 72 Ca 0.02 -0.87 0.17 0.00 -2.00 0.00 0.00 57.00 54.32 1p7m n GLN 72 Cb 0.48 -0.15 0.84 0.00 -4.06 0.00 0.00 30.24 27.35 1p7m n GLN 72 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1p7m h GLU 73 N 0.00 0.00 -0.60 3.69 5.08 -1.99 -1.86 114.58 118.90 1p7m h GLU 73 Ca -0.09 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1p7m h GLU 73 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1p7m h GLU 73 CO 0.11 0.00 0.26 0.93 -1.00 0.00 0.00 179.01 179.31 1p7m h GLU 74 N 0.00 0.47 -0.30 2.33 5.08 -1.99 0.27 114.58 120.43 1p7m h GLU 74 Ca 0.07 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1p7m h GLU 74 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1p7m h GLU 74 CO -0.00 0.31 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.54 1p7m h ASP 75 N 0.48 0.69 -0.60 1.42 3.32 -1.69 -2.91 116.42 117.13 1p7m h ASP 75 Ca 0.29 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1p7m h ASP 75 Cb 0.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1p7m h ASP 75 CO -0.25 0.97 0.16 0.58 -1.72 0.00 0.00 179.24 178.98 1p7m h VAL 76 N 0.56 1.25 -0.41 -1.35 2.07 -0.97 0.53 116.25 117.92 1p7m h VAL 76 Ca 0.06 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1p7m h VAL 76 Cb 0.84 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1p7m h VAL 76 CO 0.07 0.34 0.04 1.05 0.02 0.00 0.00 177.57 179.10 1p7m h GLU 77 N 0.95 0.70 -0.01 1.57 4.11 -0.37 -0.09 114.58 121.43 1p7m h GLU 77 Ca 0.20 -0.20 -0.19 0.00 0.07 0.00 0.00 59.36 59.25 1p7m h GLU 77 Cb 0.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1p7m h GLU 77 CO -0.00 0.76 -0.82 0.07 0.07 0.00 0.00 179.01 179.09 1p7m h ARG 78 N 0.55 0.21 -0.19 1.06 0.11 -1.39 -3.25 114.38 111.48 1p7m h ARG 78 Ca 0.12 -0.20 -0.15 0.00 0.10 0.00 0.00 59.98 59.85 1p7m h ARG 78 Cb 0.41 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 1p7m h ARG 78 CO 0.01 0.91 -0.50 -0.07 0.10 0.00 0.00 179.97 180.43 1p7m h LEU 79 N 0.12 0.56 -1.24 0.08 3.38 -0.70 -2.59 115.31 114.92 1p7m h LEU 79 Ca -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1p7m h LEU 79 Cb 1.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1p7m h LEU 79 CO 0.12 0.96 0.43 -0.37 0.09 0.00 0.00 178.44 179.68 1p7m h VAL 80 N 0.40 0.00 -0.00 1.22 -1.51 -1.04 0.32 116.25 115.64 1p7m h VAL 80 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1p7m h VAL 80 Cb 1.02 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1p7m h VAL 80 CO 0.09 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.34 1p7m n GLN 81 N -2.48 4.99 -2.49 5.19 10.64 -1.11 -4.40 117.38 127.72 1p7m n GLN 81 Ca -0.01 -0.12 -0.42 0.00 -1.83 0.00 0.00 57.00 54.61 1p7m n GLN 81 Cb 0.46 -0.69 -0.02 0.00 -0.86 0.00 0.00 30.24 29.13 1p7m n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1p7m s ASP 82 N -1.03 6.39 0.00 2.61 1.01 0.11 -3.14 116.67 122.62 1p7m s ASP 82 Ca 0.01 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.69 1p7m s ASP 82 Cb 0.02 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1p7m s ASP 82 CO 0.08 -1.47 0.00 0.00 0.21 0.00 0.00 175.17 174.00 1p7m n ALA 83 N 8.65 0.00 -2.52 5.23 0.00 -1.26 -3.81 120.51 126.80 1p7m n ALA 83 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 1p7m n ALA 83 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 1p7m n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p7m n GLY 84 N -2.00 0.66 0.00 0.00 0.00 -1.19 -5.04 105.19 97.63 1p7m n GLY 84 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.07 0.00 -1.85 -0.61 -5.35 -1.25 -4.64 119.36 102.59 1p7m n ILE 85 Ca -0.01 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 1p7m n ILE 85 Cb 0.51 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.80 3.25 -0.40 7.28 1.01 -1.26 -4.85 121.20 125.43 1p7m s ILE 86 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1p7m s ILE 86 Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 1p7m s ILE 86 CO 0.00 -0.56 2.31 -1.14 0.00 0.00 0.00 174.94 175.55 1p7m n ARG 87 N 8.94 1.24 0.00 2.79 0.63 -1.26 -4.68 116.66 124.32 1p7m n ARG 87 Ca 0.37 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1p7m n ARG 87 Cb 0.48 -2.89 0.00 0.00 0.45 0.00 0.00 32.46 30.50 1p7m n ARG 87 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1p7m n HIS 88 N 12.15 0.00 -0.31 -0.14 8.25 -1.26 -5.02 115.22 128.88 1p7m n HIS 88 Ca 0.39 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 58.02 1p7m n HIS 88 Cb 0.37 0.00 0.36 0.00 1.12 0.00 0.00 29.99 31.84 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 0.28 -0.20 -0.41 0.11 -1.91 -0.01 114.38 112.24 1p7m h ARG 89 Ca 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 59.98 60.12 1p7m h ARG 89 Cb 0.00 -0.06 -0.07 0.00 1.11 0.00 0.00 29.97 30.95 1p7m h ARG 89 CO 0.00 0.18 -0.29 0.78 0.10 0.00 0.00 179.97 180.75 1p7m h GLY 90 N 0.29 -0.30 1.00 0.08 0.00 -1.97 0.62 103.07 102.78 1p7m h GLY 90 Ca 0.62 0.35 -0.05 0.00 0.00 0.00 0.00 47.33 48.26 1p7m h GLY 90 CO -0.62 -0.21 0.17 1.70 0.00 0.00 0.00 176.54 177.59 1p7m h LYS 91 N -0.32 0.90 -0.51 4.80 3.64 -1.44 -2.63 116.57 121.01 1p7m h LYS 91 Ca 0.12 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1p7m h LYS 91 Cb 0.51 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1p7m h LYS 91 CO -0.38 0.81 0.26 0.82 -2.27 0.00 0.00 179.45 178.69 1p7m h ILE 92 N 0.81 1.19 -0.74 2.00 1.08 -0.35 -2.08 117.51 119.42 1p7m h ILE 92 Ca 0.18 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.23 1p7m h ILE 92 Cb 0.29 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 1p7m h ILE 92 CO -0.00 0.20 0.48 1.56 -0.69 0.00 0.00 178.15 179.70 1p7m h GLN 93 N 0.67 0.69 -0.58 2.37 4.20 0.43 0.05 115.11 122.94 1p7m h GLN 93 Ca 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1p7m h GLN 93 Cb 0.09 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1p7m h GLN 93 CO -0.02 0.46 0.24 0.00 -0.67 0.00 0.00 178.83 178.83 1p7m h ALA 94 N 1.61 1.33 -0.90 3.87 0.00 -1.02 -1.73 119.26 122.42 1p7m h ALA 94 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p7m h ALA 94 Cb 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1p7m h ALA 94 CO -0.11 0.51 0.57 0.82 0.00 0.00 0.00 179.25 181.03 1p7m h ILE 95 N 0.83 1.24 -0.68 0.00 2.04 -0.74 -2.00 117.51 118.21 1p7m h ILE 95 Ca 0.20 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1p7m h ILE 95 Cb 0.15 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 1p7m h ILE 95 CO -0.02 0.24 0.45 0.40 0.00 0.00 0.00 178.15 179.22 1p7m h ILE 96 N 1.24 1.17 -0.61 -0.67 1.08 -1.08 -1.19 117.51 117.44 1p7m h ILE 96 Ca 0.33 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1p7m h ILE 96 Cb -0.10 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 33.79 1p7m h ILE 96 CO -0.07 0.17 0.40 1.23 -0.69 0.00 0.00 178.15 179.19 1p7m h GLY 97 N 0.91 0.80 1.43 5.37 0.00 -1.13 0.00 103.07 110.46 1p7m h GLY 97 Ca 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1p7m h GLY 97 CO -0.06 0.24 0.27 3.43 0.00 0.00 0.00 176.54 180.42 1p7m h ASN 98 N 0.70 0.67 -0.95 0.19 2.35 -0.82 -1.61 115.58 116.09 1p7m h ASN 98 Ca 0.25 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1p7m h ASN 98 Cb 0.11 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1p7m h ASN 98 CO -0.07 0.56 0.58 0.00 -1.65 0.00 0.00 177.43 176.85 1p7m h ALA 99 N 1.55 1.21 -0.59 -0.83 0.00 -0.73 -1.22 119.26 118.64 1p7m h ALA 99 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p7m h ALA 99 Cb 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1p7m h ALA 99 CO -0.03 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.21 1p7m h ARG 100 N 1.31 0.81 -0.16 0.00 2.47 -1.15 -1.00 114.38 116.66 1p7m h ARG 100 Ca 0.34 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.92 1p7m h ARG 100 Cb -0.06 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 1p7m h ARG 100 CO -0.06 0.59 -0.19 0.00 0.56 0.00 0.00 179.97 180.87 1p7m h ALA 101 N 1.54 1.39 -0.52 0.04 0.00 -0.98 -1.33 119.26 119.40 1p7m h ALA 101 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1p7m h ALA 101 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1p7m h ALA 101 CO -0.03 0.42 0.28 -0.92 0.00 0.00 0.00 179.25 179.00 1p7m h TYR 102 N 0.25 0.72 -0.63 0.00 5.03 -0.66 -0.23 116.97 121.45 1p7m h TYR 102 Ca 0.05 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1p7m h TYR 102 Cb 0.48 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 1p7m h TYR 102 CO 0.01 0.54 0.36 -0.07 -1.32 0.00 0.00 178.16 177.67 1p7m h LEU 103 N 0.69 0.76 -0.97 2.82 3.38 -0.96 -1.92 115.31 119.12 1p7m h LEU 103 Ca 0.18 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1p7m h LEU 103 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1p7m h LEU 103 CO -0.03 0.60 0.03 1.56 0.09 0.00 0.00 178.44 180.69 1p7m h GLN 104 N 0.87 0.78 -0.71 1.13 4.20 0.00 -1.18 115.11 120.20 1p7m h GLN 104 Ca 0.22 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1p7m h GLN 104 Cb 0.00 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1p7m h GLN 104 CO -0.04 0.77 0.16 0.52 -0.67 0.00 0.00 178.83 179.57 1p7m h MET 105 N 0.73 1.14 -0.42 1.46 2.86 -0.41 -2.40 114.93 117.88 1p7m h MET 105 Ca 0.15 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1p7m h MET 105 Cb 0.41 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1p7m h MET 105 CO 0.01 1.01 -0.20 0.93 1.06 0.00 0.00 176.91 179.72 1p7m h GLU 106 N 1.07 0.83 -0.11 1.72 4.39 -1.13 0.23 114.58 121.59 1p7m h GLU 106 Ca 0.22 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1p7m h GLU 106 Cb 0.39 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1p7m h GLU 106 CO 0.00 0.96 0.12 1.96 -1.16 0.00 0.00 179.01 180.89 1p7m h GLN 107 N 0.73 0.00 0.00 2.33 4.20 -0.78 1.09 115.11 122.68 1p7m h GLN 107 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1p7m h GLN 107 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1p7m h GLN 107 CO 0.06 0.00 -0.85 0.09 -0.67 0.00 0.00 178.83 177.46 1p7m n ASN 108 N -3.85 0.64 -1.21 1.46 5.03 -0.20 -4.94 115.26 112.19 1p7m n ASN 108 Ca -0.00 -0.32 -0.14 0.00 0.87 0.00 0.00 54.58 54.99 1p7m n ASN 108 Cb 0.23 0.63 -0.05 0.00 -1.02 0.00 0.00 39.78 39.57 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p7m n GLY 109 N 1.42 1.04 3.12 7.41 0.00 0.38 -4.97 105.19 113.59 1p7m n GLY 109 Ca 0.03 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.57 2.04 0.71 1.61 2.02 -0.88 -4.99 118.70 115.64 1p7m s GLU 110 Ca 0.00 -1.67 -0.16 0.00 0.02 0.00 0.00 54.97 53.15 1p7m s GLU 110 Cb 0.00 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.82 1p7m s GLU 110 CO 0.00 -0.93 1.07 -2.30 0.02 0.00 0.00 175.26 173.12 1p7m n PRO 111 N 4.55 0.61 -0.36 0.39 -0.02 -1.26 -4.68 135.00 134.22 1p7m n PRO 111 Ca -0.04 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1p7m n PRO 111 Cb 0.42 -2.31 0.15 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.14 1.19 0.00 6.00 -1.00 -1.96 -1.94 116.94 119.09 1p7m h PHE 112 Ca -0.48 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 1p7m h PHE 112 Cb 1.33 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 1p7m h PHE 112 CO 0.41 0.66 -0.03 0.00 -1.61 0.00 0.00 178.31 177.73 1p7m h ALA 113 N 1.42 1.89 0.21 2.45 0.00 -1.87 -2.69 119.26 120.66 1p7m h ALA 113 Ca 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1p7m h ALA 113 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p7m h ALA 113 CO -0.14 0.04 -0.10 0.22 0.00 0.00 0.00 179.25 179.27 1p7m h ASP 114 N 0.00 -0.24 -0.21 0.00 3.58 -1.70 -2.75 116.42 115.11 1p7m h ASP 114 Ca -0.00 -0.22 -0.17 0.00 0.42 0.00 0.00 57.03 57.06 1p7m h ASP 114 Cb 0.06 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1p7m h ASP 114 CO 0.00 0.11 -0.55 2.19 -2.88 0.00 0.00 179.24 178.12 1p7m h PHE 115 N -0.61 0.95 0.02 0.28 -0.00 -1.60 -2.79 116.94 113.19 1p7m h PHE 115 Ca -0.03 -0.37 0.00 0.00 -0.00 0.00 0.00 57.97 57.57 1p7m h PHE 115 Cb 0.44 -0.17 -0.00 0.00 -0.00 0.00 0.00 35.95 36.22 1p7m h PHE 115 CO 0.03 1.17 -0.02 -0.39 -0.00 0.00 0.00 178.31 179.10 1p7m h VAL 116 N 0.46 0.95 -0.12 0.88 -1.51 -1.58 0.34 116.25 115.66 1p7m h VAL 116 Ca -0.01 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 1p7m h VAL 116 Cb 1.16 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1p7m h VAL 116 CO 0.12 0.00 0.16 -0.50 -1.23 0.00 0.00 177.57 176.12 1p7m h TRP 117 N -0.05 0.00 -0.48 5.19 -0.00 -1.53 -1.21 115.95 117.87 1p7m h TRP 117 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 1p7m h TRP 117 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.19 1p7m h TRP 117 CO -0.09 0.00 -0.01 0.66 -0.00 0.00 0.00 178.44 179.00 1p7m h SER 118 N 0.00 0.84 0.11 -3.49 4.64 -0.64 1.12 113.55 116.12 1p7m h SER 118 Ca 0.06 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 1p7m h SER 118 Cb 0.38 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1p7m h SER 118 CO -0.00 0.95 -0.34 -0.26 -0.87 0.00 0.00 176.83 176.30 1p7m h PHE 119 N 0.71 0.39 -0.26 4.77 0.04 -1.01 -2.09 116.94 119.49 1p7m h PHE 119 Ca 0.13 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1p7m h PHE 119 Cb 0.52 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1p7m h PHE 119 CO 0.04 0.65 0.00 0.28 -0.60 0.00 0.00 178.31 178.67 1p7m n VAL 120 N -4.07 0.82 -3.37 -0.55 0.31 -1.11 -4.80 118.33 105.55 1p7m n VAL 120 Ca -0.01 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.58 1p7m n VAL 120 Cb 0.44 -0.15 0.05 0.00 -0.91 0.00 0.00 33.84 33.27 1p7m n VAL 120 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1p7m n ASN 121 N 0.31 -5.86 -2.39 4.52 2.85 -0.79 -1.71 115.26 112.19 1p7m n ASN 121 Ca 0.11 -0.45 -0.09 0.00 -0.11 0.00 0.00 54.58 54.04 1p7m n ASN 121 Cb 0.48 -4.69 -0.01 0.00 1.24 0.00 0.00 39.78 36.80 1p7m n ASN 121 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1p7m n HIS 122 N -4.67 -1.51 -3.87 1.20 8.25 0.38 -4.91 115.22 110.09 1p7m n HIS 122 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.31 1p7m n HIS 122 Cb 0.58 -2.30 -0.10 0.00 1.12 0.00 0.00 29.99 29.29 1p7m n HIS 122 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1p7m s GLN 123 N -4.90 0.45 0.54 -0.41 -2.07 -0.69 -5.10 119.66 107.48 1p7m s GLN 123 Ca 0.00 -0.35 -0.21 0.00 -1.82 0.00 0.00 55.36 52.98 1p7m s GLN 123 Cb 0.00 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 1p7m s GLN 123 CO 0.00 -0.10 1.26 -1.25 -1.32 0.00 0.00 175.29 173.88 1p7m s PRO 124 N -1.25 3.23 -0.13 9.60 0.04 -1.26 -4.85 135.00 140.38 1p7m s PRO 124 Ca -0.13 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 1p7m s PRO 124 Cb -0.07 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1p7m s PRO 124 CO 0.01 -1.04 0.03 -1.14 0.04 0.00 0.00 177.00 174.90 1p7m s GLN 125 N -3.00 3.46 -0.07 4.56 -0.44 0.18 -4.95 119.66 119.41 1p7m s GLN 125 Ca 0.72 -0.37 -0.16 0.00 -2.50 0.00 0.00 55.36 53.05 1p7m s GLN 125 Cb -0.34 -2.99 -0.05 0.00 -1.64 0.00 0.00 33.01 27.99 1p7m s GLN 125 CO 0.39 0.50 0.42 -1.64 0.50 0.00 0.00 175.29 175.47 1p7m s MET 126 N -0.31 4.14 -0.21 1.67 -1.94 -1.26 -0.13 119.30 121.25 1p7m s MET 126 Ca 0.07 0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 54.29 1p7m s MET 126 Cb -0.12 -3.33 -0.10 0.00 2.01 0.00 0.00 34.83 33.28 1p7m s MET 126 CO 0.02 0.42 -0.21 2.41 -0.01 0.00 0.00 175.02 177.64 1p7m n THR 127 N 2.79 1.50 -3.49 2.05 -1.04 -0.69 -4.93 114.28 110.48 1p7m n THR 127 Ca -0.11 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.05 61.67 1p7m n THR 127 Cb 0.52 -2.14 0.08 0.00 -1.82 0.00 0.00 70.33 66.96 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 -4.41 -6.20 -3.33 -2.82 6.02 -1.25 -4.96 117.38 100.43 1p7m n GLN 128 Ca -0.30 0.80 -0.37 0.00 -0.01 0.00 0.00 57.00 57.12 1p7m n GLN 128 Cb 0.63 -5.71 -0.06 0.00 1.02 0.00 0.00 30.24 26.12 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 -3.43 3.59 -0.18 -1.58 0.00 -1.26 -4.89 121.76 114.01 1p7m s ALA 129 Ca 0.01 -0.06 0.16 0.00 0.00 0.00 0.00 51.96 52.06 1p7m s ALA 129 Cb -0.00 -2.57 0.07 0.00 0.00 0.00 0.00 23.12 20.62 1p7m s ALA 129 CO 0.75 0.43 1.39 1.79 0.00 0.00 0.00 175.76 180.12 1p7m h THR 130 N 3.20 0.75 -4.16 0.00 1.35 -1.90 -2.59 112.91 109.55 1p7m h THR 130 Ca -0.49 -2.08 -0.14 0.00 -0.55 0.00 0.00 66.41 63.15 1p7m h THR 130 Cb 1.20 2.34 -0.14 0.00 -1.73 0.00 0.00 68.15 69.82 1p7m h THR 130 CO 0.64 0.43 -0.50 0.42 -0.25 0.00 0.00 175.52 176.26 1p7m s THR 131 N -2.98 0.10 0.43 6.82 -4.23 -1.26 -4.69 115.64 109.82 1p7m s THR 131 Ca 0.03 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1p7m s THR 131 Cb 0.07 -1.89 0.21 0.00 1.34 0.00 0.00 72.50 72.24 1p7m s THR 131 CO 0.75 -0.44 2.02 -0.07 -0.54 0.00 0.00 174.62 176.33 1p7m h LEU 132 N 2.74 0.21 -1.67 4.79 3.38 -1.90 -1.02 115.31 121.85 1p7m h LEU 132 Ca -0.34 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1p7m h LEU 132 Cb 1.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1p7m h LEU 132 CO 0.55 0.26 -0.19 0.77 0.09 0.00 0.00 178.44 179.92 1p7m h SER 133 N 0.23 0.00 0.22 -0.43 4.64 -1.98 -1.56 113.55 114.67 1p7m h SER 133 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1p7m h SER 133 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1p7m h SER 133 CO 0.00 0.19 0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 1p7m n GLU 134 N -4.13 0.69 -2.48 4.77 -0.58 -0.39 -4.77 120.64 113.75 1p7m n GLU 134 Ca -0.02 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1p7m n GLU 134 Cb 0.26 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 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 -2.24 4.25 0.24 -3.67 1.10 -0.59 -4.85 121.20 115.44 1p7m s ILE 135 Ca 0.36 1.60 -0.30 0.00 -0.51 0.00 0.00 60.65 61.80 1p7m s ILE 135 Cb 0.19 -4.02 -0.09 0.00 0.15 0.00 0.00 42.46 38.69 1p7m s ILE 135 CO 0.37 0.05 1.15 -2.16 -2.11 0.00 0.00 174.94 172.24 1p7m s PRO 136 N 1.74 4.57 0.00 3.50 0.04 -1.26 -4.94 135.00 138.64 1p7m s PRO 136 Ca 0.56 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.56 1p7m s PRO 136 Cb -0.26 -3.21 0.24 0.00 0.04 0.00 0.00 34.50 31.31 1p7m s PRO 136 CO 0.25 0.07 1.13 0.25 0.04 0.00 0.00 177.00 178.73 1p7m n THR 137 N 1.78 0.65 -3.36 1.26 -2.24 -1.26 -4.80 114.28 106.30 1p7m n THR 137 Ca 0.01 -0.83 -0.17 0.00 -2.27 0.00 0.00 64.05 60.80 1p7m n THR 137 Cb 0.45 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.36 1p7m n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1p7m s SER 138 N -0.99 1.19 0.18 3.42 0.01 -1.26 -4.46 113.70 111.80 1p7m s SER 138 Ca 0.21 -1.54 0.06 0.00 1.31 0.00 0.00 55.95 55.99 1p7m s SER 138 Cb 0.12 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1p7m s SER 138 CO 0.16 -0.27 0.08 0.42 0.41 0.00 0.00 173.24 174.05 1p7m s THR 139 N 1.48 4.14 0.44 1.44 -4.23 -1.26 -4.94 115.64 112.71 1p7m s THR 139 Ca 0.17 -1.28 0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1p7m s THR 139 Cb -0.15 -3.12 0.38 0.00 1.34 0.00 0.00 72.50 70.95 1p7m s THR 139 CO -0.05 -0.14 1.89 -0.65 -0.54 0.00 0.00 174.62 175.13 1p7m h PRO 140 N 2.41 0.33 -0.08 3.99 0.11 -2.00 0.24 132.00 137.01 1p7m h PRO 140 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1p7m h PRO 140 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1p7m h PRO 140 CO 0.61 0.22 -0.26 0.00 -0.21 0.00 0.00 178.00 178.35 1p7m h ALA 141 N 1.62 0.14 -0.68 -0.75 0.00 -1.94 -1.76 119.26 115.88 1p7m h ALA 141 Ca 0.42 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1p7m h ALA 141 Cb 1.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1p7m h ALA 141 CO -0.13 0.14 0.25 0.66 0.00 0.00 0.00 179.25 180.18 1p7m h SER 142 N -0.17 0.95 -0.51 0.00 4.64 -1.54 0.22 113.55 117.14 1p7m h SER 142 Ca -0.01 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1p7m h SER 142 Cb 0.89 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1p7m h SER 142 CO 0.06 0.88 0.24 -0.78 -0.87 0.00 0.00 176.83 176.35 1p7m h ASP 143 N 0.97 0.68 0.49 4.97 3.58 -0.59 -1.61 116.42 124.91 1p7m h ASP 143 Ca 0.22 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 1p7m h ASP 143 Cb 0.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1p7m h ASP 143 CO -0.02 0.63 -0.45 0.00 -2.88 0.00 0.00 179.24 176.52 1p7m h ALA 144 N 1.08 1.21 -0.23 -0.78 0.00 -0.98 -2.85 119.26 116.71 1p7m h ALA 144 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1p7m h ALA 144 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1p7m h ALA 144 CO -0.02 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.15 1p7m h LEU 145 N 0.00 0.31 -0.55 0.00 7.12 0.34 -1.19 115.31 121.35 1p7m h LEU 145 Ca -0.00 -0.15 -0.07 0.00 0.13 0.00 0.00 57.88 57.79 1p7m h LEU 145 Cb 0.82 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1p7m h LEU 145 CO 0.06 0.37 0.06 -1.28 -0.13 0.00 0.00 178.44 177.52 1p7m h SER 146 N 0.23 0.90 -0.85 1.25 0.87 -1.26 -1.67 113.55 113.03 1p7m h SER 146 Ca 0.08 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1p7m h SER 146 Cb 0.15 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1p7m h SER 146 CO -0.01 0.96 0.53 0.50 -0.53 0.00 0.00 176.83 178.27 1p7m h LYS 147 N 0.82 1.14 0.28 2.24 3.64 -1.33 0.36 116.57 123.71 1p7m h LYS 147 Ca 0.16 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1p7m h LYS 147 Cb 0.46 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1p7m h LYS 147 CO 0.02 0.78 -0.13 0.00 -2.27 0.00 0.00 179.45 177.85 1p7m h ALA 148 N 1.42 -0.38 -0.25 5.00 0.00 -0.89 -2.74 119.26 121.42 1p7m h ALA 148 Ca 0.31 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p7m h ALA 148 Cb -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1p7m h ALA 148 CO -0.06 -0.51 0.17 -0.07 0.00 0.00 0.00 179.25 178.78 1p7m h LEU 149 N -0.78 0.19 -0.66 0.00 3.38 -1.09 -0.83 115.31 115.52 1p7m h LEU 149 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1p7m h LEU 149 Cb 0.51 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1p7m h LEU 149 CO 0.06 0.13 0.42 0.50 0.09 0.00 0.00 178.44 179.64 1p7m h LYS 150 N 0.22 0.88 0.00 1.13 3.64 -0.13 0.00 116.57 122.31 1p7m h LYS 150 Ca 0.10 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1p7m h LYS 150 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1p7m h LYS 150 CO -0.02 0.61 -0.47 0.87 -2.27 0.00 0.00 179.45 178.17 1p7m h LYS 151 N 0.89 0.00 0.00 1.90 6.56 -0.89 -2.60 116.57 122.43 1p7m h LYS 151 Ca 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1p7m h LYS 151 Cb -0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1p7m h LYS 151 CO -0.05 0.47 0.00 0.54 -2.06 0.00 0.00 179.45 178.35 1p7m n ARG 152 N -3.66 0.70 -1.44 3.15 5.12 -0.63 -4.78 116.66 115.12 1p7m n ARG 152 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1p7m n ARG 152 Cb 0.55 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.29 0.47 3.51 -0.13 0.00 -0.98 -4.46 105.19 103.89 1p7m n GLY 153 Ca 0.08 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1p7m n GLY 153 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p7m s PHE 154 N -2.00 3.21 0.64 1.61 5.36 -0.10 -4.50 117.98 122.20 1p7m s PHE 154 Ca 0.00 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.74 1p7m s PHE 154 Cb 0.00 -2.42 0.10 0.00 -0.34 0.00 0.00 43.02 40.36 1p7m s PHE 154 CO 0.00 -0.35 0.89 0.15 -1.46 0.00 0.00 175.22 174.45 1p7m s LYS 155 N 1.70 2.03 -1.19 10.12 1.02 -1.26 -4.09 119.74 128.06 1p7m s LYS 155 Ca 0.06 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1p7m s LYS 155 Cb -0.17 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1p7m s LYS 155 CO 0.09 -1.13 0.86 1.19 -0.92 0.00 0.00 175.35 175.44 1p7m n PHE 156 N -2.56 -2.13 -2.49 3.18 3.01 -1.26 -4.92 117.46 110.29 1p7m n PHE 156 Ca 0.14 0.84 -0.14 0.00 1.01 0.00 0.00 57.45 59.29 1p7m n PHE 156 Cb 0.61 -4.46 0.03 0.00 -0.01 0.00 0.00 39.48 35.64 1p7m n PHE 156 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1p7m n VAL 157 N -3.97 1.80 -0.81 -4.37 0.24 -1.26 -4.32 118.33 105.64 1p7m n VAL 157 Ca -0.22 -3.72 -0.34 0.00 -2.04 0.00 0.00 64.34 58.02 1p7m n VAL 157 Cb 0.65 -0.04 0.11 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.51 -2.77 0.38 7.63 0.00 -1.26 -4.42 105.19 104.25 1p7m n GLY 158 Ca 0.25 -0.66 0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.59 0.77 -0.07 2.61 2.02 -1.94 0.28 112.91 114.99 1p7m h THR 159 Ca -0.47 -0.13 -0.16 0.00 0.77 0.00 0.00 66.41 66.42 1p7m h THR 159 Cb 1.34 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1p7m h THR 159 CO 0.32 0.07 -0.66 0.74 0.37 0.00 0.00 175.52 176.36 1p7m h THR 160 N 0.37 1.39 -0.46 3.16 2.02 -1.86 -2.92 112.91 114.61 1p7m h THR 160 Ca 0.37 -2.08 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 1p7m h THR 160 Cb 0.91 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1p7m h THR 160 CO -0.11 0.62 0.21 0.40 0.37 0.00 0.00 175.52 177.01 1p7m h ILE 161 N 0.21 1.19 -0.22 3.11 1.08 -0.72 0.20 117.51 122.36 1p7m h ILE 161 Ca -0.02 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1p7m h ILE 161 Cb 1.20 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1p7m h ILE 161 CO 0.11 0.21 0.03 0.00 -0.69 0.00 0.00 178.15 177.80 1p7m h TYR 163 N 0.17 1.07 -0.57 0.00 5.03 -1.36 -2.34 116.97 118.96 1p7m h TYR 163 Ca 0.07 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 1p7m h TYR 163 Cb 0.34 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1p7m h TYR 163 CO 0.02 0.85 0.17 0.66 -1.32 0.00 0.00 178.16 178.55 1p7m h SER 164 N 1.01 0.80 -0.72 -2.11 4.64 -0.41 -2.45 113.55 114.31 1p7m h SER 164 Ca 0.22 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1p7m h SER 164 Cb 0.28 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1p7m h SER 164 CO -0.01 0.76 0.25 0.15 -0.87 0.00 0.00 176.83 177.11 1p7m h PHE 165 N 0.84 1.13 -0.53 4.77 3.57 -0.78 -2.77 116.94 123.17 1p7m h PHE 165 Ca 0.19 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1p7m h PHE 165 Cb 0.25 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1p7m h PHE 165 CO 0.02 0.89 -0.09 0.52 -2.23 0.00 0.00 178.31 177.41 1p7m h MET 166 N 1.05 0.98 -0.44 1.11 2.86 -1.10 -1.43 114.93 117.97 1p7m h MET 166 Ca 0.24 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1p7m h MET 166 Cb 0.27 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1p7m h MET 166 CO -0.01 1.02 0.01 1.96 1.06 0.00 0.00 176.91 180.94 1p7m h GLN 167 N 0.88 0.70 0.17 1.72 1.08 -1.27 -2.85 115.11 115.55 1p7m h GLN 167 Ca 0.14 -0.17 -0.34 0.00 -1.45 0.00 0.00 58.65 56.83 1p7m h GLN 167 Cb 0.64 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1p7m h GLN 167 CO 0.04 0.71 -1.67 0.00 -0.95 0.00 0.00 178.83 176.97 1p7m h ALA 168 N 1.34 0.17 -0.05 3.87 0.00 -1.39 -2.50 119.26 120.72 1p7m h ALA 168 Ca 0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 1p7m h ALA 168 Cb 0.40 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1p7m h ALA 168 CO 0.01 1.04 -0.02 0.00 0.00 0.00 0.00 179.25 180.29 1p7m n GLY 170 N -0.02 0.52 0.46 0.00 0.00 -1.09 -3.97 105.19 101.09 1p7m n GLY 170 Ca -0.07 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.22 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 0.06 -8.93 0.99 3.38 -1.80 -3.41 115.31 105.61 1p7m h LEU 171 Ca 0.00 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.29 1p7m h LEU 171 Cb 0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1p7m h LEU 171 CO 0.00 0.02 -0.86 -0.69 0.09 0.00 0.00 178.44 177.00 1p7m s VAL 172 N -5.04 2.30 0.13 1.22 1.01 -1.20 0.51 120.40 119.33 1p7m s VAL 172 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1p7m s VAL 172 Cb 0.22 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1p7m s VAL 172 CO 0.77 0.07 0.01 0.20 0.00 0.00 0.00 175.10 176.16 1p7m s ASN 173 N -2.11 0.75 0.00 3.32 -0.87 0.81 -4.50 114.94 112.33 1p7m s ASN 173 Ca 0.15 -1.15 0.00 0.00 -1.57 0.00 0.00 52.86 50.29 1p7m s ASN 173 Cb -0.10 0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.33 1p7m s ASN 173 CO 0.06 -0.63 0.00 0.47 -2.57 0.00 0.00 177.10 174.44 1p7m n ASP 174 N -0.12 -0.98 -0.02 -1.22 8.00 -1.26 -1.70 116.55 119.25 1p7m n ASP 174 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 1p7m n ASP 174 Cb 0.63 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1p7m h HIS 175 N 0.00 -0.63 -1.27 1.24 3.86 -1.95 -3.33 115.15 113.07 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 0.24 0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1p7m h HIS 175 CO 0.00 -0.32 0.00 1.33 0.86 0.00 0.00 177.93 179.80 1p7m n VAL 176 N -5.37 0.00 -3.02 2.45 0.24 -1.26 -4.41 118.33 106.96 1p7m n VAL 176 Ca -0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 1p7m n VAL 176 Cb 0.28 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 1p7m n VAL 176 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1p7m s VAL 177 N -2.25 4.95 -0.80 3.34 1.01 -0.98 -4.34 120.40 121.33 1p7m s VAL 177 Ca 0.00 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1p7m s VAL 177 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1p7m s VAL 177 CO 0.00 0.06 0.72 0.61 0.00 0.00 0.00 175.10 176.48 1p7m n GLY 178 N 3.70 -1.23 3.77 4.51 0.00 -1.26 -4.97 105.19 109.71 1p7m n GLY 178 Ca 0.01 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.51 3.19 -0.08 0.00 5.04 0.95 -4.98 117.35 116.96 1p7m s TYR 182 Ca -0.04 -0.43 -0.30 0.00 -2.44 0.00 0.00 57.07 53.86 1p7m s TYR 182 Cb 0.14 -2.79 -0.02 0.00 0.35 0.00 0.00 41.96 39.65 1p7m s TYR 182 CO 0.50 -0.65 1.06 -1.25 -1.34 0.00 0.00 175.55 173.86 1p7m s PRO 183 N 1.99 4.41 0.00 4.97 0.04 -1.26 -3.02 135.00 142.13 1p7m s PRO 183 Ca 0.10 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1p7m s PRO 183 Cb -0.18 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1p7m s PRO 183 CO 0.12 -0.33 0.21 0.41 0.04 0.00 0.00 177.00 177.45 1p7m n GLY 184 N 3.15 -0.06 0.02 0.56 0.00 -1.26 -4.65 105.19 102.95 1p7m n GLY 184 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1p7m n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p7m n ASN 185 N -0.25 0.06 -4.86 1.61 2.85 -1.26 -4.80 115.26 108.61 1p7m n ASN 185 Ca 0.00 -0.87 -0.33 0.00 -0.11 0.00 0.00 54.58 53.27 1p7m n ASN 185 Cb 0.05 -0.05 -0.06 0.00 1.24 0.00 0.00 39.78 40.97 1p7m n ASN 185 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1p7m s LYS 186 N -2.10 3.87 0.00 1.20 -2.85 -1.26 -5.28 119.74 113.32 1p7m s LYS 186 Ca 0.44 0.36 0.20 0.00 -1.00 0.00 0.00 55.97 55.97 1p7m s LYS 186 Cb 0.22 -2.79 1.19 0.00 -2.06 0.00 0.00 37.83 34.39 1p7m s LYS 186 CO 0.39 0.40 1.58 -0.35 0.10 0.00 0.00 175.35 177.46