#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx7 h ILE 2 N 0.00 0.63 -0.57 2.46 1.08 -2.05 -3.03 117.51 116.03 1xx7 h ILE 2 Ca 0.00 -1.02 -0.10 0.00 -0.39 0.00 0.00 64.86 63.35 1xx7 h ILE 2 Cb 0.00 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1xx7 h ILE 2 CO 0.00 0.22 -0.03 0.44 -0.69 0.00 0.00 178.15 178.09 1xx7 h ASP 3 N 0.00 1.01 -0.18 1.72 3.32 -2.05 0.94 116.42 121.18 1xx7 h ASP 3 Ca -0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1xx7 h ASP 3 Cb 0.65 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1xx7 h ASP 3 CO 0.03 1.08 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.54 1xx7 h LEU 4 N 0.91 0.43 -0.16 1.55 3.38 -1.96 0.21 115.31 119.67 1xx7 h LEU 4 Ca 0.16 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1xx7 h LEU 4 Cb 0.58 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xx7 h LEU 4 CO 0.03 0.51 -0.60 0.40 0.09 0.00 0.00 178.44 178.87 1xx7 h ILE 5 N 0.44 1.31 -0.64 1.22 2.04 -1.38 -1.13 117.51 119.38 1xx7 h ILE 5 Ca 0.10 -1.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.05 1xx7 h ILE 5 Cb 0.33 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1xx7 h ILE 5 CO 0.01 0.58 0.17 -0.07 0.00 0.00 0.00 178.15 178.83 1xx7 h LEU 6 N 0.39 0.95 -0.24 1.44 3.38 -0.49 -1.80 115.31 118.95 1xx7 h LEU 6 Ca -0.03 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1xx7 h LEU 6 Cb 1.23 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1xx7 h LEU 6 CO 0.13 0.93 -0.11 0.25 0.09 0.00 0.00 178.44 179.73 1xx7 h LEU 7 N 0.93 -0.37 -1.91 1.67 5.85 -0.53 -2.36 115.31 118.59 1xx7 h LEU 7 Ca 0.20 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1xx7 h LEU 7 Cb 0.34 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1xx7 h LEU 7 CO -0.00 -0.14 -0.06 0.00 -0.34 0.00 0.00 178.44 177.90 1xx7 h ALA 8 N 1.12 1.85 -0.06 1.25 0.00 -1.01 -2.59 119.26 119.83 1xx7 h ALA 8 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xx7 h ALA 8 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xx7 h ALA 8 CO -0.29 0.08 -0.11 0.78 0.00 0.00 0.00 179.25 179.71 1xx7 h GLY 9 N 0.20 0.09 1.37 0.00 0.00 -0.78 -2.50 103.07 101.44 1xx7 h GLY 9 Ca -0.00 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.37 1xx7 h GLY 9 CO 0.01 0.04 0.23 0.50 0.00 0.00 0.00 176.54 177.32 1xx7 h LYS 10 N 0.08 0.02 0.00 4.80 1.57 -1.32 -0.18 116.57 121.54 1xx7 h LYS 10 Ca 0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xx7 h LYS 10 Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xx7 h LYS 10 CO 0.02 0.01 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.83 1xx7 h LEU 11 N 0.02 0.00 -1.41 2.94 3.38 -1.59 -1.58 115.31 117.07 1xx7 h LEU 11 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1xx7 h LEU 11 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1xx7 h LEU 11 CO -0.00 0.01 -0.28 0.11 0.09 0.00 0.00 178.44 178.37 1xx7 h LYS 12 N 0.00 0.00 0.00 1.13 1.57 -1.18 -0.09 116.57 117.99 1xx7 h LYS 12 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1xx7 h LYS 12 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1xx7 h LYS 12 CO 0.00 0.28 -2.25 0.54 -0.57 0.00 0.00 179.45 177.45 1xx7 n ARG 13 N -3.87 1.01 -2.13 3.15 1.74 -0.84 -4.75 116.66 110.97 1xx7 n ARG 13 Ca -0.02 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1xx7 n ARG 13 Cb 0.36 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1xx7 n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xx7 s ILE 14 N -2.44 3.73 0.51 0.55 1.01 -0.65 -4.96 121.20 118.94 1xx7 s ILE 14 Ca -0.10 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 1xx7 s ILE 14 Cb 0.05 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 1xx7 s ILE 14 CO 0.74 -0.27 1.04 -2.16 0.00 0.00 0.00 174.94 174.28 1xx7 s PRO 15 N 4.54 3.69 -0.39 2.79 0.04 -1.26 -0.71 135.00 143.71 1xx7 s PRO 15 Ca 0.70 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1xx7 s PRO 15 Cb -0.25 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1xx7 s PRO 15 CO 0.28 -0.51 1.46 1.03 0.04 0.00 0.00 177.00 179.30 1xx7 s ARG 16 N -3.50 3.58 0.17 4.56 1.81 -0.18 -4.58 118.95 120.81 1xx7 s ARG 16 Ca 0.66 1.05 0.07 0.00 -1.72 0.00 0.00 55.73 55.78 1xx7 s ARG 16 Cb -0.16 -4.04 0.00 0.00 -0.45 0.00 0.00 34.95 30.31 1xx7 s ARG 16 CO 0.25 -1.56 1.40 0.52 -0.68 0.00 0.00 175.30 175.22 1xx7 h MET 17 N 10.89 0.06 -0.65 3.54 2.86 -1.90 -3.09 114.93 126.63 1xx7 h MET 17 Ca -0.28 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1xx7 h MET 17 Cb 1.11 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 1xx7 h MET 17 CO 1.07 0.88 0.33 0.78 1.06 0.00 0.00 176.91 181.04 1xx7 h GLY 18 N 2.34 0.95 0.98 8.32 0.00 -1.91 -1.84 103.07 111.92 1xx7 h GLY 18 Ca -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1xx7 h GLY 18 CO 0.12 0.10 0.19 1.49 0.00 0.00 0.00 176.54 178.43 1xx7 h TRP 19 N 0.60 0.41 -0.83 5.60 -0.00 -1.94 -2.79 115.95 117.01 1xx7 h TRP 19 Ca 0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.18 1xx7 h TRP 19 Cb 0.26 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.24 1xx7 h TRP 19 CO -0.10 0.30 0.48 1.25 -0.00 0.00 0.00 178.44 180.37 1xx7 h LEU 20 N 0.40 1.01 -0.50 -4.49 6.46 -1.43 -2.24 115.31 114.52 1xx7 h LEU 20 Ca 0.11 -0.08 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 1xx7 h LEU 20 Cb 0.01 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 1xx7 h LEU 20 CO -0.02 0.79 -0.69 0.40 -0.62 0.00 0.00 178.44 178.30 1xx7 h ILE 21 N 1.14 1.40 0.00 4.05 2.04 -1.35 -2.55 117.51 122.25 1xx7 h ILE 21 Ca 0.29 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 1xx7 h ILE 21 Cb -0.01 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1xx7 h ILE 21 CO -0.05 0.64 -0.02 0.11 0.00 0.00 0.00 178.15 178.82 1xx7 h LYS 22 N 0.20 0.00 0.00 2.37 1.79 -1.16 -3.47 116.57 116.31 1xx7 h LYS 22 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1xx7 h LYS 22 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xx7 h LYS 22 CO 0.11 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 1xx7 n GLY 23 N -0.43 0.87 3.67 3.86 0.00 -0.94 -4.98 105.19 107.24 1xx7 n GLY 23 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1xx7 n GLY 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xx7 n VAL 24 N -1.40 0.71 -0.18 1.61 0.31 -0.89 -4.88 118.33 113.61 1xx7 n VAL 24 Ca 0.00 -0.13 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1xx7 n VAL 24 Cb 0.00 -2.17 0.02 0.00 -0.91 0.00 0.00 33.84 30.78 1xx7 n VAL 24 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xx7 h PRO 25 N 10.14 0.74 -2.15 5.55 0.11 -1.93 -3.34 132.00 141.12 1xx7 h PRO 25 Ca -0.49 -0.10 -0.58 0.00 0.11 0.00 0.00 66.00 64.94 1xx7 h PRO 25 Cb 1.25 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.83 1xx7 h PRO 25 CO 0.94 0.59 -0.96 0.27 -0.21 0.00 0.00 178.00 178.63 1xx7 n ASN 26 N -4.62 0.90 -4.77 -2.05 2.04 -1.26 -5.11 115.26 100.38 1xx7 n ASN 26 Ca 0.02 -2.81 -0.35 0.00 -0.44 0.00 0.00 54.58 51.01 1xx7 n ASN 26 Cb 0.10 -0.64 0.01 0.00 -2.53 0.00 0.00 39.78 36.72 1xx7 n ASN 26 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1xx7 s PRO 27 N -1.24 3.20 0.58 -0.53 0.04 -1.25 -4.98 135.00 130.82 1xx7 s PRO 27 Ca 0.35 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1xx7 s PRO 27 Cb 0.13 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1xx7 s PRO 27 CO -0.11 -0.96 0.37 -0.85 0.04 0.00 0.00 177.00 175.49 1xx7 n GLU 28 N -1.57 0.37 -1.98 4.56 0.28 -1.26 -4.77 120.64 116.29 1xx7 n GLU 28 Ca 0.11 0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 56.98 1xx7 n GLU 28 Cb 0.51 -1.56 0.06 0.00 1.43 0.00 0.00 31.44 31.89 1xx7 n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1xx7 s SER 29 N -1.16 5.04 0.40 -1.84 1.04 -1.26 -1.01 113.70 114.90 1xx7 s SER 29 Ca 0.66 0.88 0.11 0.00 0.48 0.00 0.00 55.95 58.08 1xx7 s SER 29 Cb -0.44 -1.57 0.82 0.00 0.10 0.00 0.00 66.02 64.93 1xx7 s SER 29 CO 0.58 -1.56 1.92 0.58 0.98 0.00 0.00 173.24 175.74 1xx7 h VAL 30 N -0.75 1.18 -0.43 5.02 2.07 -0.73 -2.29 116.25 120.31 1xx7 h VAL 30 Ca -0.45 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1xx7 h VAL 30 Cb 1.29 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1xx7 h VAL 30 CO 0.64 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 178.37 1xx7 h ALA 31 N 1.68 0.60 -0.15 1.67 0.00 -1.29 0.71 119.26 122.48 1xx7 h ALA 31 Ca 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1xx7 h ALA 31 Cb 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1xx7 h ALA 31 CO 0.03 0.48 -0.17 -0.44 0.00 0.00 0.00 179.25 179.14 1xx7 h ASP 32 N 0.66 -0.53 -0.04 0.00 3.32 -1.77 0.18 116.42 118.25 1xx7 h ASP 32 Ca 0.11 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1xx7 h ASP 32 Cb 0.63 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1xx7 h ASP 32 CO 0.04 -0.21 -0.18 -0.74 -1.72 0.00 0.00 179.24 176.42 1xx7 h HIS 33 N -0.20 -0.48 -0.21 4.55 -0.00 -1.34 -2.67 115.15 114.80 1xx7 h HIS 33 Ca 0.10 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 1xx7 h HIS 33 Cb 0.35 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1xx7 h HIS 33 CO -0.29 -0.26 -0.30 0.77 -0.00 0.00 0.00 177.93 177.85 1xx7 h SER 34 N -0.28 0.41 -0.11 3.26 0.02 -0.56 -1.42 113.55 114.88 1xx7 h SER 34 Ca 0.07 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1xx7 h SER 34 Cb 0.37 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1xx7 h SER 34 CO -0.20 0.70 -0.17 0.22 -1.14 0.00 0.00 176.83 176.24 1xx7 h TYR 35 N 0.36 -0.44 0.00 3.45 3.20 -0.55 -1.65 116.97 121.33 1xx7 h TYR 35 Ca 0.05 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1xx7 h TYR 35 Cb 0.71 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1xx7 h TYR 35 CO 0.02 -0.25 -0.53 -0.09 -1.64 0.00 0.00 178.16 175.67 1xx7 h ARG 36 N -0.23 0.00 -0.95 1.82 2.43 -1.10 -1.96 114.38 114.39 1xx7 h ARG 36 Ca 0.09 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1xx7 h ARG 36 Cb 0.36 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1xx7 h ARG 36 CO -0.24 0.53 0.62 0.28 -1.51 0.00 0.00 179.97 179.65 1xx7 h VAL 37 N 0.00 1.15 -0.50 0.20 2.07 -1.10 0.21 116.25 118.29 1xx7 h VAL 37 Ca -0.01 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1xx7 h VAL 37 Cb 1.14 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1xx7 h VAL 37 CO 0.07 0.22 0.06 0.00 0.02 0.00 0.00 177.57 177.94 1xx7 h ALA 38 N 1.40 0.66 -0.13 1.67 0.00 -0.91 0.43 119.26 122.38 1xx7 h ALA 38 Ca 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xx7 h ALA 38 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xx7 h ALA 38 CO -0.13 0.41 0.07 0.35 0.00 0.00 0.00 179.25 179.95 1xx7 h PHE 39 N 0.71 0.18 -0.57 0.00 3.57 -0.88 -0.97 116.94 118.97 1xx7 h PHE 39 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1xx7 h PHE 39 Cb 0.43 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1xx7 h PHE 39 CO 0.03 0.20 0.15 0.82 -2.23 0.00 0.00 178.31 177.28 1xx7 h ILE 40 N 0.10 1.23 -0.24 1.41 2.04 -0.49 -1.35 117.51 120.21 1xx7 h ILE 40 Ca 0.04 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1xx7 h ILE 40 Cb 0.09 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1xx7 h ILE 40 CO -0.01 0.31 0.14 0.74 0.00 0.00 0.00 178.15 179.33 1xx7 h THR 41 N 0.84 1.11 -0.38 -0.27 2.02 -0.63 -0.98 112.91 114.63 1xx7 h THR 41 Ca 0.19 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1xx7 h THR 41 Cb 0.29 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1xx7 h THR 41 CO -0.00 0.11 0.17 0.25 0.37 0.00 0.00 175.52 176.42 1xx7 h LEU 42 N 0.29 0.24 -0.17 2.58 5.85 -0.76 0.45 115.31 123.79 1xx7 h LEU 42 Ca 0.09 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1xx7 h LEU 42 Cb 0.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1xx7 h LEU 42 CO -0.01 0.18 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.12 1xx7 h LEU 43 N 0.36 -0.25 -0.63 2.25 3.38 -0.95 -2.64 115.31 116.83 1xx7 h LEU 43 Ca 0.16 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 1xx7 h LEU 43 Cb 0.09 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xx7 h LEU 43 CO -0.13 -0.10 -0.33 -0.07 0.09 0.00 0.00 178.44 177.91 1xx7 h LEU 44 N -0.05 0.75 -0.26 1.67 3.38 -0.97 -1.03 115.31 118.79 1xx7 h LEU 44 Ca 0.09 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1xx7 h LEU 44 Cb 0.19 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1xx7 h LEU 44 CO -0.21 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.18 1xx7 h ALA 45 N 1.03 0.03 -0.59 1.53 0.00 -0.85 0.39 119.26 120.79 1xx7 h ALA 45 Ca 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xx7 h ALA 45 Cb 0.85 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1xx7 h ALA 45 CO 0.07 -0.57 0.36 0.93 0.00 0.00 0.00 179.25 180.04 1xx7 h GLU 46 N -0.14 0.80 -0.58 0.00 4.39 -1.27 -0.57 114.58 117.21 1xx7 h GLU 46 Ca 0.14 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1xx7 h GLU 46 Cb 0.36 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1xx7 h GLU 46 CO -0.35 0.57 0.38 1.49 -1.16 0.00 0.00 179.01 179.94 1xx7 h GLU 47 N 0.80 0.62 0.01 2.33 4.57 -0.67 -2.29 114.58 119.93 1xx7 h GLU 47 Ca 0.21 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.15 1xx7 h GLU 47 Cb -0.03 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1xx7 h GLU 47 CO -0.04 0.41 -0.96 -0.07 -1.18 0.00 0.00 179.01 177.17 1xx7 h LEU 48 N 0.64 0.03 -0.31 1.64 3.38 -0.16 -3.01 115.31 117.50 1xx7 h LEU 48 Ca 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1xx7 h LEU 48 Cb 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xx7 h LEU 48 CO -0.07 0.97 0.16 0.50 0.09 0.00 0.00 178.44 180.09 1xx7 h LYS 49 N 0.01 0.44 -0.42 1.13 3.64 -0.65 0.13 116.57 120.84 1xx7 h LYS 49 Ca -0.02 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xx7 h LYS 49 Cb 1.68 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.37 1xx7 h LYS 49 CO 0.13 0.40 -0.26 0.87 -2.27 0.00 0.00 179.45 178.32 1xx7 h LYS 50 N 0.38 -0.01 0.00 1.90 6.56 -1.45 0.19 116.57 124.14 1xx7 h LYS 50 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1xx7 h LYS 50 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1xx7 h LYS 50 CO -0.02 -0.01 0.00 1.63 -2.06 0.00 0.00 179.45 179.00 1xx7 n LYS 51 N -3.98 0.00 -1.41 3.15 5.02 -1.14 -4.78 118.16 115.02 1xx7 n LYS 51 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1xx7 n LYS 51 Cb 0.12 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1xx7 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xx7 n GLY 52 N -0.66 1.42 3.74 0.72 0.00 0.05 -5.00 105.19 105.46 1xx7 n GLY 52 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1xx7 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx7 s VAL 53 N -2.51 4.98 -0.34 1.61 1.01 0.43 -4.99 120.40 120.59 1xx7 s VAL 53 Ca 0.00 1.33 -0.24 0.00 0.00 0.00 0.00 61.98 63.07 1xx7 s VAL 53 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1xx7 s VAL 53 CO 0.00 0.33 0.81 -1.83 0.00 0.00 0.00 175.10 174.42 1xx7 s GLU 54 N 0.32 3.87 -0.06 2.72 1.03 -1.26 -3.76 118.70 121.55 1xx7 s GLU 54 Ca 0.34 0.49 0.05 0.00 0.03 0.00 0.00 54.97 55.87 1xx7 s GLU 54 Cb -0.18 -3.77 -0.00 0.00 -0.80 0.00 0.00 34.13 29.38 1xx7 s GLU 54 CO 0.17 -0.79 -0.21 0.42 -1.33 0.00 0.00 175.26 173.53 1xx7 s ILE 55 N 3.10 1.74 -0.85 1.83 -1.09 -1.26 -5.00 121.20 119.67 1xx7 s ILE 55 Ca 0.33 -0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 57.62 1xx7 s ILE 55 Cb -0.13 -1.49 0.03 0.00 -1.58 0.00 0.00 42.46 39.28 1xx7 s ILE 55 CO 0.15 0.49 1.39 -0.62 -1.23 0.00 0.00 174.94 175.12 1xx7 s ASP 56 N 0.06 6.23 0.22 3.58 -1.08 -1.26 -4.87 116.67 119.55 1xx7 s ASP 56 Ca -0.07 -0.81 -0.08 0.00 -0.52 0.00 0.00 52.55 51.07 1xx7 s ASP 56 Cb -0.14 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 38.95 1xx7 s ASP 56 CO 0.04 -1.76 1.86 0.58 0.52 0.00 0.00 175.17 176.41 1xx7 h VAL 57 N 6.40 1.25 -0.34 1.11 2.07 -1.98 -1.26 116.25 123.50 1xx7 h VAL 57 Ca -0.08 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1xx7 h VAL 57 Cb 1.04 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1xx7 h VAL 57 CO 1.33 0.27 0.00 -0.08 0.02 0.00 0.00 177.57 179.11 1xx7 h GLU 58 N 1.19 0.10 -0.35 1.57 4.81 -2.00 -1.42 114.58 118.48 1xx7 h GLU 58 Ca 0.31 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1xx7 h GLU 58 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xx7 h GLU 58 CO -0.05 0.06 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.02 1xx7 h LYS 59 N 0.10 0.65 -0.63 1.92 3.64 -1.86 -1.48 116.57 118.91 1xx7 h LYS 59 Ca 0.17 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1xx7 h LYS 59 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1xx7 h LYS 59 CO -0.28 0.79 0.33 0.00 -2.27 0.00 0.00 179.45 178.02 1xx7 h ALA 60 N 0.83 1.40 -0.27 5.00 0.00 -1.01 -0.96 119.26 124.24 1xx7 h ALA 60 Ca 0.09 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1xx7 h ALA 60 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xx7 h ALA 60 CO 0.03 0.49 -0.55 -0.07 0.00 0.00 0.00 179.25 179.15 1xx7 h LEU 61 N 0.88 0.96 -0.63 0.00 3.38 -1.11 -1.66 115.31 117.13 1xx7 h LEU 61 Ca 0.22 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1xx7 h LEU 61 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1xx7 h LEU 61 CO -0.03 1.32 0.37 0.11 0.09 0.00 0.00 178.44 180.30 1xx7 h LYS 62 N 0.63 0.70 -0.32 1.13 1.57 -0.96 -1.68 116.57 117.63 1xx7 h LYS 62 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xx7 h LYS 62 Cb 1.16 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1xx7 h LYS 62 CO 0.12 0.46 0.10 0.82 -0.57 0.00 0.00 179.45 180.38 1xx7 h ILE 63 N 0.72 1.21 -0.59 1.86 2.04 -0.99 -2.03 117.51 119.73 1xx7 h ILE 63 Ca 0.26 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1xx7 h ILE 63 Cb 0.07 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1xx7 h ILE 63 CO -0.13 0.23 0.29 0.00 0.00 0.00 0.00 178.15 178.54 1xx7 h ALA 64 N 0.93 0.77 -0.46 1.87 0.00 -1.08 0.49 119.26 121.77 1xx7 h ALA 64 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xx7 h ALA 64 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xx7 h ALA 64 CO -0.00 -0.07 0.22 0.82 0.00 0.00 0.00 179.25 180.22 1xx7 h ILE 65 N 0.54 1.19 0.00 0.00 2.04 -1.19 -3.16 117.51 116.93 1xx7 h ILE 65 Ca 0.27 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xx7 h ILE 65 Cb 0.22 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1xx7 h ILE 65 CO -0.20 0.21 -0.50 2.30 0.00 0.00 0.00 178.15 179.95 1xx7 n ILE 66 N -4.64 0.27 0.12 -0.67 -6.64 -0.77 -4.55 119.36 102.48 1xx7 n ILE 66 Ca 0.01 -0.20 0.14 0.00 -1.77 0.00 0.00 62.75 60.94 1xx7 n ILE 66 Cb 0.12 -0.11 0.66 0.00 -1.44 0.00 0.00 39.64 38.87 1xx7 n ILE 66 CO 0.00 0.00 0.00 1.12 -1.77 0.00 0.00 176.55 175.90 1xx7 h HIS 67 N 0.00 0.02 -0.18 4.28 2.07 0.01 -0.90 115.15 120.45 1xx7 h HIS 67 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xx7 h HIS 67 Cb 0.67 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.65 1xx7 h HIS 67 CO 0.00 0.01 0.00 -0.25 -3.07 0.00 0.00 177.93 174.62 1xx7 n ASP 68 N -4.46 2.98 0.20 3.10 8.00 -1.26 -4.70 116.55 120.42 1xx7 n ASP 68 Ca 0.04 -2.61 0.05 0.00 0.71 0.00 0.00 54.79 52.97 1xx7 n ASP 68 Cb 0.35 -0.35 0.43 0.00 -0.02 0.00 0.00 41.12 41.54 1xx7 n ASP 68 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xx7 h LEU 69 N 1.15 0.00 -2.04 0.64 5.85 -1.41 -1.57 115.31 117.92 1xx7 h LEU 69 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xx7 h LEU 69 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1xx7 h LEU 69 CO 0.08 0.31 0.00 1.23 -0.34 0.00 0.00 178.44 179.72 1xx7 h GLY 70 N 1.10 0.00 2.00 3.75 0.00 -1.84 -1.57 103.07 106.51 1xx7 h GLY 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xx7 h GLY 70 CO 0.04 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.41 1xx7 h GLU 71 N 0.00 0.00 -0.03 4.80 5.08 -1.54 -0.08 114.58 122.81 1xx7 h GLU 71 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1xx7 h GLU 71 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xx7 h GLU 71 CO 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 179.01 178.04 1xx7 h ALA 72 N 2.20 1.89 0.01 3.43 0.00 -1.41 0.77 119.26 126.15 1xx7 h ALA 72 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1xx7 h ALA 72 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1xx7 h ALA 72 CO 0.00 -0.04 -2.41 -0.89 0.00 0.00 0.00 179.25 175.91 1xx7 n ILE 73 N -4.32 1.53 0.11 0.00 -0.00 -0.79 -4.69 119.36 111.20 1xx7 n ILE 73 Ca -0.02 -0.45 0.03 0.00 -0.00 0.00 0.00 62.75 62.30 1xx7 n ILE 73 Cb 0.12 -1.70 0.00 0.00 -0.00 0.00 0.00 39.64 38.06 1xx7 n ILE 73 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1xx7 h ILE 74 N -0.54 0.68 -1.80 1.39 1.08 -1.00 -3.51 117.51 113.81 1xx7 h ILE 74 Ca -0.62 -2.03 0.20 0.00 -0.39 0.00 0.00 64.86 62.02 1xx7 h ILE 74 Cb 1.73 2.25 -0.07 0.00 -3.07 0.00 0.00 36.82 37.66 1xx7 h ILE 74 CO -0.25 0.39 -0.43 0.35 -0.69 0.00 0.00 178.15 177.51 1xx7 n THR 75 N -3.10 0.00 -2.70 -0.27 -2.24 0.27 -4.62 114.28 101.62 1xx7 n THR 75 Ca -0.01 0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.53 1xx7 n THR 75 Cb 0.74 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1xx7 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xx7 n ASP 76 N -3.28 5.15 -4.67 3.42 2.03 -1.26 -4.61 116.55 113.32 1xx7 n ASP 76 Ca -0.01 -3.02 -0.48 0.00 0.52 0.00 0.00 54.79 51.79 1xx7 n ASP 76 Cb 0.36 -1.55 -0.05 0.00 -0.72 0.00 0.00 41.12 39.17 1xx7 n ASP 76 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xx7 n LEU 77 N 5.11 3.15 -4.79 -2.67 4.77 -1.26 -4.22 117.00 117.09 1xx7 n LEU 77 Ca 0.39 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 57.11 1xx7 n LEU 77 Cb 0.40 -1.37 0.13 0.00 -2.33 0.00 0.00 43.42 40.25 1xx7 n LEU 77 CO 0.70 -0.22 0.71 -2.16 -1.33 0.00 0.00 177.39 175.10 1xx7 s PRO 78 N 2.63 1.27 0.25 3.23 0.04 -1.26 -4.81 135.00 136.36 1xx7 s PRO 78 Ca 0.87 0.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1xx7 s PRO 78 Cb -0.72 -1.85 0.50 0.00 0.04 0.00 0.00 34.50 32.47 1xx7 s PRO 78 CO 0.47 -2.12 1.72 -0.07 0.04 0.00 0.00 177.00 177.05 1xx7 h LEU 79 N -1.44 0.28 -0.88 -3.56 3.38 -1.98 0.01 115.31 111.11 1xx7 h LEU 79 Ca -0.50 0.12 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1xx7 h LEU 79 Cb 1.32 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.08 1xx7 h LEU 79 CO 0.62 0.08 0.48 0.77 0.09 0.00 0.00 178.44 180.48 1xx7 h SER 80 N 0.43 0.63 0.93 -0.43 4.64 -2.02 -1.82 113.55 115.90 1xx7 h SER 80 Ca 0.44 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.66 1xx7 h SER 80 Cb 0.70 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 1xx7 h SER 80 CO -0.43 0.29 -0.86 0.00 -0.87 0.00 0.00 176.83 174.96 1xx7 h ALA 81 N 1.55 0.55 0.00 5.18 0.00 -1.38 -3.15 119.26 122.00 1xx7 h ALA 81 Ca 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xx7 h ALA 81 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xx7 h ALA 81 CO -0.33 1.07 0.00 1.04 0.00 0.00 0.00 179.25 181.03 1xx7 n GLN 82 N -3.46 0.15 0.22 0.00 6.02 -0.69 -1.34 117.38 118.28 1xx7 n GLN 82 Ca -0.00 0.38 0.09 0.00 -0.01 0.00 0.00 57.00 57.45 1xx7 n GLN 82 Cb 0.83 -1.79 0.52 0.00 1.02 0.00 0.00 30.24 30.83 1xx7 n GLN 82 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1xx7 h LYS 83 N 0.00 0.00 0.00 -1.09 1.57 -1.47 -3.32 116.57 112.26 1xx7 h LYS 83 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xx7 h LYS 83 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xx7 h LYS 83 CO 0.00 0.24 -0.79 0.66 -0.57 0.00 0.00 179.45 178.99 1xx7 n TYR 84 N -3.64 0.00 -4.27 -1.35 4.01 -0.45 -5.02 117.16 106.43 1xx7 n TYR 84 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1xx7 n TYR 84 Cb 0.37 -0.08 -0.13 0.00 -0.31 0.00 0.00 39.34 39.19 1xx7 n TYR 84 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xx7 s LEU 85 N -2.87 2.13 -0.74 7.72 1.43 -0.64 -5.09 118.68 120.62 1xx7 s LEU 85 Ca 0.00 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 1xx7 s LEU 85 Cb 0.05 -0.44 0.13 0.00 0.03 0.00 0.00 46.19 45.96 1xx7 s LEU 85 CO 0.30 0.01 0.85 0.21 0.23 0.00 0.00 176.35 177.95 1xx7 s ASN 86 N -0.89 6.42 0.02 2.29 3.84 -1.26 -4.45 114.94 120.91 1xx7 s ASN 86 Ca -0.00 -1.82 -0.21 0.00 0.21 0.00 0.00 52.86 51.03 1xx7 s ASN 86 Cb -0.07 -2.32 -0.17 0.00 -0.55 0.00 0.00 41.25 38.15 1xx7 s ASN 86 CO 0.01 -1.02 1.27 0.50 -2.79 0.00 0.00 177.10 175.07 1xx7 h LYS 87 N 8.84 0.31 -0.69 0.43 3.64 -1.95 -2.12 116.57 125.04 1xx7 h LYS 87 Ca -0.09 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.03 1xx7 h LYS 87 Cb 1.06 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1xx7 h LYS 87 CO 1.04 0.78 0.18 0.93 -2.27 0.00 0.00 179.45 180.11 1xx7 h GLU 88 N -0.12 1.08 -0.02 1.90 5.08 -1.99 -0.85 114.58 119.66 1xx7 h GLU 88 Ca 0.01 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1xx7 h GLU 88 Cb 0.76 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xx7 h GLU 88 CO 0.04 0.94 -0.83 0.93 -1.00 0.00 0.00 179.01 179.10 1xx7 h GLU 89 N 1.03 0.25 -0.54 2.33 4.39 -1.98 -1.23 114.58 118.83 1xx7 h GLU 89 Ca 0.22 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1xx7 h GLU 89 Cb 0.34 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1xx7 h GLU 89 CO -0.00 0.95 0.01 0.00 -1.16 0.00 0.00 179.01 178.80 1xx7 h ALA 90 N 0.97 0.73 -0.51 3.43 0.00 -1.13 -2.08 119.26 120.67 1xx7 h ALA 90 Ca -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xx7 h ALA 90 Cb 1.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1xx7 h ALA 90 CO 0.13 0.54 0.29 0.93 0.00 0.00 0.00 179.25 181.15 1xx7 h GLU 91 N 0.83 0.70 -0.53 0.00 5.08 -1.04 0.98 114.58 120.60 1xx7 h GLU 91 Ca 0.15 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1xx7 h GLU 91 Cb 0.52 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1xx7 h GLU 91 CO 0.03 0.53 0.34 0.00 -1.00 0.00 0.00 179.01 178.90 1xx7 h ALA 92 N 1.13 0.68 -0.41 3.43 0.00 -1.07 0.89 119.26 123.90 1xx7 h ALA 92 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1xx7 h ALA 92 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xx7 h ALA 92 CO -0.03 0.07 -0.07 0.87 0.00 0.00 0.00 179.25 180.09 1xx7 h LYS 93 N 0.68 0.78 -0.29 0.00 1.57 -1.26 0.44 116.57 118.48 1xx7 h LYS 93 Ca 0.21 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xx7 h LYS 93 Cb -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1xx7 h LYS 93 CO -0.07 0.89 0.19 0.00 -0.57 0.00 0.00 179.45 179.89 1xx7 h ALA 94 N 0.86 0.37 -0.75 3.86 0.00 -0.47 -2.43 119.26 120.70 1xx7 h ALA 94 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xx7 h ALA 94 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1xx7 h ALA 94 CO 0.03 -0.16 0.42 -0.07 0.00 0.00 0.00 179.25 179.48 1xx7 h LEU 95 N 0.39 0.93 -0.61 0.00 3.38 -0.71 -2.29 115.31 116.41 1xx7 h LEU 95 Ca 0.11 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1xx7 h LEU 95 Cb -0.04 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 1xx7 h LEU 95 CO -0.02 0.75 0.21 0.50 0.09 0.00 0.00 178.44 179.97 1xx7 h LYS 96 N 1.04 0.37 0.00 1.13 3.64 -0.68 0.12 116.57 122.19 1xx7 h LYS 96 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1xx7 h LYS 96 Cb 0.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1xx7 h LYS 96 CO -0.04 0.25 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.87 1xx7 h ASP 97 N 0.39 0.00 0.00 4.20 3.32 -0.93 -3.20 116.42 120.20 1xx7 h ASP 97 Ca 0.31 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.13 1xx7 h ASP 97 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1xx7 h ASP 97 CO -0.32 0.07 -1.89 1.33 -1.72 0.00 0.00 179.24 176.71 1xx7 n VAL 98 N -3.45 0.89 -3.31 -1.35 0.24 -0.67 -4.94 118.33 105.73 1xx7 n VAL 98 Ca -0.02 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 1xx7 n VAL 98 Cb 0.21 -0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 31.57 1xx7 n VAL 98 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xx7 s LEU 99 N -5.63 -0.73 0.52 1.34 1.02 0.33 -5.03 118.68 110.50 1xx7 s LEU 99 Ca -0.17 -0.37 0.20 0.00 0.02 0.00 0.00 54.13 53.82 1xx7 s LEU 99 Cb 0.05 1.06 1.37 0.00 0.02 0.00 0.00 46.19 48.69 1xx7 s LEU 99 CO 0.41 -0.35 2.14 1.55 0.02 0.00 0.00 176.35 180.11 1xx7 h PRO 100 N 8.17 0.00 0.00 1.29 0.13 -1.69 0.14 132.00 140.05 1xx7 h PRO 100 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1xx7 h PRO 100 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xx7 h PRO 100 CO 0.27 0.05 -0.09 0.93 -0.23 0.00 0.00 178.00 178.93 1xx7 h GLU 101 N 0.00 0.00 -0.00 0.86 3.07 -1.91 -2.31 114.58 114.28 1xx7 h GLU 101 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xx7 h GLU 101 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1xx7 h GLU 101 CO 0.01 0.09 -0.08 2.48 -1.40 0.00 0.00 179.01 180.11 1xx7 n TYR 102 N -3.93 0.00 0.06 4.33 -0.00 0.04 -3.91 117.16 113.75 1xx7 n TYR 102 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.65 1xx7 n TYR 102 Cb 0.18 -0.25 -0.15 0.00 -0.00 0.00 0.00 39.34 39.13 1xx7 n TYR 102 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 1xx7 h THR 103 N 0.28 1.13 -0.93 -3.48 2.02 -1.43 -2.48 112.91 108.03 1xx7 h THR 103 Ca 0.00 -2.51 0.04 0.00 0.77 0.00 0.00 66.41 64.71 1xx7 h THR 103 Cb 0.35 2.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.57 1xx7 h THR 103 CO 0.00 0.78 0.61 -0.33 0.37 0.00 0.00 175.52 176.94 1xx7 h GLU 104 N -0.10 1.11 -0.08 6.66 3.07 -1.68 -0.86 114.58 122.70 1xx7 h GLU 104 Ca -0.28 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.40 1xx7 h GLU 104 Cb 1.92 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 29.59 1xx7 h GLU 104 CO 0.15 0.74 -0.38 -0.07 -1.40 0.00 0.00 179.01 178.05 1xx7 h LEU 105 N 1.15 0.46 -0.74 1.33 3.38 -1.68 -2.53 115.31 116.68 1xx7 h LEU 105 Ca 0.37 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.80 1xx7 h LEU 105 Cb 0.04 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1xx7 h LEU 105 CO -0.12 1.04 0.35 0.15 0.09 0.00 0.00 178.44 179.95 1xx7 h PHE 106 N -0.08 0.62 -0.66 1.13 3.57 -1.33 -2.52 116.94 117.68 1xx7 h PHE 106 Ca -0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xx7 h PHE 106 Cb 1.03 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1xx7 h PHE 106 CO 0.13 0.19 0.23 0.93 -2.23 0.00 0.00 178.31 177.56 1xx7 h GLU 107 N 0.57 0.98 -0.40 1.11 4.39 -1.04 0.89 114.58 121.09 1xx7 h GLU 107 Ca 0.38 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1xx7 h GLU 107 Cb 0.46 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1xx7 h GLU 107 CO -0.31 0.82 0.15 0.93 -1.16 0.00 0.00 179.01 179.44 1xx7 h GLU 108 N 0.96 0.31 0.34 2.33 5.08 -1.03 0.11 114.58 122.68 1xx7 h GLU 108 Ca 0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1xx7 h GLU 108 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xx7 h GLU 108 CO -0.01 0.21 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.12 1xx7 h TYR 109 N 0.32 -0.42 -0.42 4.33 3.20 -1.15 -0.37 116.97 122.46 1xx7 h TYR 109 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1xx7 h TYR 109 Cb 0.15 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1xx7 h TYR 109 CO -0.14 -0.12 0.15 1.03 -1.64 0.00 0.00 178.16 177.44 1xx7 h SER 110 N -0.71 0.60 -0.03 -2.11 0.87 0.10 -2.85 113.55 109.43 1xx7 h SER 110 Ca -0.05 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1xx7 h SER 110 Cb 0.49 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1xx7 h SER 110 CO 0.08 0.63 -0.08 0.29 -0.53 0.00 0.00 176.83 177.21 1xx7 n LYS 111 N -4.60 2.12 -3.91 2.24 4.01 0.35 -4.98 118.16 113.39 1xx7 n LYS 111 Ca 0.00 -1.75 -0.28 0.00 -0.51 0.00 0.00 58.31 55.77 1xx7 n LYS 111 Cb 0.17 -1.46 0.02 0.00 -0.51 0.00 0.00 35.03 33.24 1xx7 n LYS 111 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xx7 n ALA 112 N 1.09 -1.54 0.51 7.82 0.00 -0.16 -4.86 120.51 123.37 1xx7 n ALA 112 Ca 0.13 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1xx7 n ALA 112 Cb 0.57 -3.39 0.10 0.00 0.00 0.00 0.00 19.45 16.73 1xx7 n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xx7 n LEU 113 N -4.52 0.68 -4.48 0.00 4.77 -1.17 -4.63 117.00 107.65 1xx7 n LEU 113 Ca -0.08 0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 1xx7 n LEU 113 Cb 0.58 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1xx7 n LEU 113 CO 0.75 -0.04 -0.47 0.42 -1.33 0.00 0.00 177.39 176.72 1xx7 s THR 114 N -3.20 2.57 0.21 -5.08 -4.23 -1.26 -5.03 115.64 99.61 1xx7 s THR 114 Ca 0.04 -2.28 -0.10 0.00 -1.18 0.00 0.00 61.69 58.17 1xx7 s THR 114 Cb 0.13 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.78 1xx7 s THR 114 CO 0.76 -0.34 1.85 0.17 -0.54 0.00 0.00 174.62 176.51 1xx7 h LEU 115 N 2.41 0.71 -0.47 4.79 -0.00 -1.95 0.09 115.31 120.89 1xx7 h LEU 115 Ca -0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.44 1xx7 h LEU 115 Cb 1.25 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1xx7 h LEU 115 CO 0.58 0.49 0.19 -0.33 -0.00 0.00 0.00 178.44 179.37 1xx7 h GLU 116 N 0.85 0.71 -0.42 0.17 3.07 -1.94 -0.81 114.58 116.22 1xx7 h GLU 116 Ca 0.28 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1xx7 h GLU 116 Cb 0.02 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1xx7 h GLU 116 CO -0.11 0.64 0.27 0.78 -1.40 0.00 0.00 179.01 179.19 1xx7 h GLY 117 N 0.63 0.59 1.15 -3.84 0.00 -1.69 -2.57 103.07 97.33 1xx7 h GLY 117 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1xx7 h GLY 117 CO -0.01 0.22 0.55 1.46 0.00 0.00 0.00 176.54 178.75 1xx7 h GLN 118 N 0.56 1.05 -0.47 4.80 4.20 -0.87 -1.94 115.11 122.44 1xx7 h GLN 118 Ca 0.15 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1xx7 h GLN 118 Cb -0.05 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1xx7 h GLN 118 CO -0.03 0.70 0.08 1.25 -0.67 0.00 0.00 178.83 180.16 1xx7 h LEU 119 N 1.09 0.75 -0.48 1.46 5.85 -0.89 -2.16 115.31 120.91 1xx7 h LEU 119 Ca 0.31 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1xx7 h LEU 119 Cb -0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1xx7 h LEU 119 CO -0.08 0.81 -0.21 0.58 -0.34 0.00 0.00 178.44 179.20 1xx7 h VAL 120 N 0.65 1.27 -0.63 1.05 2.07 -1.32 -0.04 116.25 119.30 1xx7 h VAL 120 Ca 0.14 -1.38 0.10 0.00 0.82 0.00 0.00 66.70 66.39 1xx7 h VAL 120 Cb 0.38 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1xx7 h VAL 120 CO 0.01 0.48 0.22 0.50 0.02 0.00 0.00 177.57 178.80 1xx7 h LYS 121 N 0.86 0.38 -0.19 1.57 1.63 -1.28 0.54 116.57 120.08 1xx7 h LYS 121 Ca 0.11 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1xx7 h LYS 121 Cb 0.80 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1xx7 h LYS 121 CO 0.07 0.25 -0.06 0.82 -3.45 0.00 0.00 179.45 177.07 1xx7 h ILE 122 N 0.39 1.30 -0.85 2.00 2.04 -0.90 -2.28 117.51 119.21 1xx7 h ILE 122 Ca 0.32 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1xx7 h ILE 122 Cb 0.43 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1xx7 h ILE 122 CO -0.34 0.32 0.50 0.00 0.00 0.00 0.00 178.15 178.64 1xx7 h ALA 123 N 0.71 1.19 -0.40 1.87 0.00 -0.64 0.12 119.26 122.12 1xx7 h ALA 123 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xx7 h ALA 123 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xx7 h ALA 123 CO 0.02 0.17 0.25 0.22 0.00 0.00 0.00 179.25 179.92 1xx7 h ASP 124 N 0.87 0.43 0.13 0.00 3.58 0.26 -1.02 116.42 120.67 1xx7 h ASP 124 Ca 0.39 -0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.65 1xx7 h ASP 124 Cb 0.30 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1xx7 h ASP 124 CO -0.22 0.31 -0.73 0.11 -2.88 0.00 0.00 179.24 175.83 1xx7 h LYS 125 N 0.52 0.52 -0.72 0.28 1.57 -1.15 -3.02 116.57 114.55 1xx7 h LYS 125 Ca 0.15 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1xx7 h LYS 125 Cb -0.03 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1xx7 h LYS 125 CO -0.05 1.04 0.31 -0.07 -0.57 0.00 0.00 179.45 180.12 1xx7 h LEU 126 N 0.36 0.97 -0.36 2.94 3.38 -0.66 -1.58 115.31 120.36 1xx7 h LEU 126 Ca -0.03 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xx7 h LEU 126 Cb 1.31 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1xx7 h LEU 126 CO 0.13 0.86 -0.01 -0.78 0.09 0.00 0.00 178.44 178.73 1xx7 h ASP 127 N 1.02 -0.16 0.08 -0.43 3.58 -1.18 -1.12 116.42 118.21 1xx7 h ASP 127 Ca 0.24 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1xx7 h ASP 127 Cb 0.17 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1xx7 h ASP 127 CO -0.03 -0.04 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.22 1xx7 h MET 128 N 0.09 -0.10 -0.44 0.28 4.05 -1.39 0.17 114.93 117.59 1xx7 h MET 128 Ca 0.18 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1xx7 h MET 128 Cb 0.24 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1xx7 h MET 128 CO -0.30 0.05 0.29 0.82 0.23 0.00 0.00 176.91 178.00 1xx7 h ILE 129 N -0.24 1.11 -0.45 1.77 2.04 -1.17 -1.13 117.51 119.42 1xx7 h ILE 129 Ca -0.01 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1xx7 h ILE 129 Cb 0.21 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1xx7 h ILE 129 CO 0.02 0.11 -0.17 0.40 0.00 0.00 0.00 178.15 178.51 1xx7 h ILE 130 N 0.59 1.27 -0.43 -0.67 2.04 -1.14 -2.51 117.51 116.66 1xx7 h ILE 130 Ca 0.16 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1xx7 h ILE 130 Cb -0.06 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1xx7 h ILE 130 CO -0.04 0.44 0.25 -0.61 0.00 0.00 0.00 178.15 178.19 1xx7 h GLN 131 N 0.77 0.58 -0.49 2.37 5.75 -0.32 -1.32 115.11 122.45 1xx7 h GLN 131 Ca 0.11 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.45 1xx7 h GLN 131 Cb 0.70 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1xx7 h GLN 131 CO 0.05 0.41 -0.16 0.00 -2.65 0.00 0.00 178.83 176.49 1xx7 h ALA 132 N 1.69 0.68 -0.55 3.38 0.00 -0.88 0.40 119.26 123.98 1xx7 h ALA 132 Ca 0.15 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xx7 h ALA 132 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1xx7 h ALA 132 CO -0.03 0.63 0.30 -0.92 0.00 0.00 0.00 179.25 179.23 1xx7 h TYR 133 N 0.83 0.55 -0.02 0.00 3.20 -1.13 0.21 116.97 120.61 1xx7 h TYR 133 Ca 0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1xx7 h TYR 133 Cb 0.73 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1xx7 h TYR 133 CO 0.05 0.27 0.00 0.93 -1.64 0.00 0.00 178.16 177.78 1xx7 h GLU 134 N 0.57 0.03 -0.26 1.82 5.08 -0.85 -1.45 114.58 119.52 1xx7 h GLU 134 Ca 0.24 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1xx7 h GLU 134 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xx7 h GLU 134 CO -0.16 0.29 0.18 1.88 -1.00 0.00 0.00 179.01 180.20 1xx7 h TYR 135 N -0.23 0.30 -0.86 4.33 0.05 -0.75 -1.25 116.97 118.56 1xx7 h TYR 135 Ca 0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1xx7 h TYR 135 Cb 0.27 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1xx7 h TYR 135 CO 0.02 0.18 0.55 0.93 -1.05 0.00 0.00 178.16 178.79 1xx7 h GLU 136 N 0.31 1.14 0.00 4.88 5.08 -0.17 -2.14 114.58 123.69 1xx7 h GLU 136 Ca 0.10 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xx7 h GLU 136 Cb 0.03 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1xx7 h GLU 136 CO -0.02 0.77 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.67 1xx7 h LEU 137 N 1.17 0.00 -2.34 1.33 3.38 -0.15 -2.04 115.31 116.66 1xx7 h LEU 137 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1xx7 h LEU 137 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xx7 h LEU 137 CO -0.06 0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.29 1xx7 n SER 138 N -4.51 3.42 0.00 -0.43 7.64 -1.04 -4.95 113.62 113.76 1xx7 n SER 138 Ca -0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1xx7 n SER 138 Cb 0.11 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1xx7 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xx7 n GLY 139 N 1.47 1.53 3.70 0.23 0.00 -0.77 -5.07 105.19 106.28 1xx7 n GLY 139 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xx7 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx7 s ALA 140 N -0.91 3.76 -1.05 4.61 0.00 -0.83 -4.90 121.76 122.44 1xx7 s ALA 140 Ca 0.00 1.35 0.13 0.00 0.00 0.00 0.00 51.96 53.44 1xx7 s ALA 140 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1xx7 s ALA 140 CO 0.00 -1.01 0.69 1.63 0.00 0.00 0.00 175.76 177.07 1xx7 n LYS 141 N 4.93 2.11 -0.62 0.00 5.02 -1.26 -4.33 118.16 124.01 1xx7 n LYS 141 Ca 0.16 -0.56 0.01 0.00 -2.02 0.00 0.00 58.31 55.90 1xx7 n LYS 141 Cb 0.39 -1.15 0.21 0.00 -0.02 0.00 0.00 35.03 34.45 1xx7 n LYS 141 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xx7 n ASN 142 N -0.42 2.65 -0.95 4.39 6.94 -1.26 -4.68 115.26 121.93 1xx7 n ASN 142 Ca 0.05 -3.56 0.09 0.00 -0.02 0.00 0.00 54.58 51.13 1xx7 n ASN 142 Cb 0.25 -0.58 0.21 0.00 -2.36 0.00 0.00 39.78 37.31 1xx7 n ASN 142 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xx7 n LEU 143 N -1.03 3.30 -0.05 -4.53 4.77 -1.26 -4.73 117.00 113.46 1xx7 n LEU 143 Ca 0.27 -1.86 0.14 0.00 -0.03 0.00 0.00 56.01 54.53 1xx7 n LEU 143 Cb 0.92 -0.31 0.55 0.00 -2.33 0.00 0.00 43.42 42.24 1xx7 n LEU 143 CO 0.13 0.80 1.18 0.77 -1.33 0.00 0.00 177.39 178.94 1xx7 h SER 144 N 3.18 0.28 0.38 -1.43 4.64 -1.96 -2.00 113.55 116.64 1xx7 h SER 144 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1xx7 h SER 144 Cb 0.84 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1xx7 h SER 144 CO 0.00 0.16 -0.12 1.05 -0.87 0.00 0.00 176.83 177.05 1xx7 h GLU 145 N 0.31 0.00 0.00 4.77 4.11 -2.00 -2.53 114.58 119.24 1xx7 h GLU 145 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1xx7 h GLU 145 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1xx7 h GLU 145 CO -0.06 0.12 0.00 1.19 0.07 0.00 0.00 179.01 180.33 1xx7 n PHE 146 N -3.63 0.00 0.59 2.06 3.72 -0.75 -1.76 117.46 117.69 1xx7 n PHE 146 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1xx7 n PHE 146 Cb 0.24 -0.34 0.22 0.00 -0.94 0.00 0.00 39.48 38.66 1xx7 n PHE 146 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1xx7 n TRP 147 N -1.34 0.61 0.21 1.38 7.02 -0.95 -3.91 117.44 120.45 1xx7 n TRP 147 Ca 0.07 0.18 0.13 0.00 -1.02 0.00 0.00 57.50 56.87 1xx7 n TRP 147 Cb 0.16 -0.70 0.72 0.00 -2.42 0.00 0.00 31.31 29.07 1xx7 n TRP 147 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1xx7 h ASN 148 N 0.00 0.00 0.95 -0.99 2.35 -1.51 -1.45 115.58 114.93 1xx7 h ASN 148 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xx7 h ASN 148 Cb 0.74 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1xx7 h ASN 148 CO 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 177.43 175.62 1xx7 h ALA 149 N 1.93 1.02 -0.98 -0.83 0.00 -1.76 -3.23 119.26 115.41 1xx7 h ALA 149 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xx7 h ALA 149 Cb 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1xx7 h ALA 149 CO 0.00 0.20 0.63 1.37 0.00 0.00 0.00 179.25 181.45 1xx7 h LEU 150 N 0.00 1.02 -0.78 0.00 -0.00 -1.55 -1.55 115.31 112.45 1xx7 h LEU 150 Ca -0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1xx7 h LEU 150 Cb 0.68 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1xx7 h LEU 150 CO 0.02 0.67 0.13 1.05 -0.00 0.00 0.00 178.44 180.31 1xx7 h GLU 151 N 1.17 1.05 0.00 0.17 9.09 -1.76 -2.50 114.58 121.80 1xx7 h GLU 151 Ca 0.41 -0.26 -0.00 0.00 0.05 0.00 0.00 59.36 59.56 1xx7 h GLU 151 Cb 0.12 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1xx7 h GLU 151 CO -0.16 0.95 -0.02 0.38 0.05 0.00 0.00 179.01 180.20 1xx7 h ASP 152 N 0.99 0.00 -0.37 3.06 2.03 -1.42 -2.91 116.42 117.79 1xx7 h ASP 152 Ca 0.20 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.49 1xx7 h ASP 152 Cb 0.39 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.87 1xx7 h ASP 152 CO 0.01 0.02 0.20 -0.07 -1.03 0.00 0.00 179.24 178.36 1xx7 h LEU 153 N 0.00 0.50 -0.77 0.15 3.38 -1.16 -2.89 115.31 114.52 1xx7 h LEU 153 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xx7 h LEU 153 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xx7 h LEU 153 CO 0.00 0.43 0.00 -0.33 0.09 0.00 0.00 178.44 178.64 1xx7 h GLU 154 N 0.57 0.00 0.00 1.13 5.08 -1.65 -3.27 114.58 116.44 1xx7 h GLU 154 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xx7 h GLU 154 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xx7 h GLU 154 CO -0.02 0.00 0.00 1.57 -1.00 0.00 0.00 179.01 179.56 1xx7 h LYS 155 N 0.00 0.00 -6.27 2.33 2.10 -1.66 -3.45 116.57 109.62 1xx7 h LYS 155 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 1xx7 h LYS 155 Cb 0.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.89 1xx7 h LYS 155 CO 0.00 0.00 -0.26 -0.51 -2.00 0.00 0.00 179.45 176.68 1xx7 s LEU 156 N -5.59 4.21 0.22 7.07 1.43 -1.24 -5.01 118.68 119.77 1xx7 s LEU 156 Ca 0.02 0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1xx7 s LEU 156 Cb 0.09 -3.37 0.25 0.00 0.03 0.00 0.00 46.19 43.19 1xx7 s LEU 156 CO 0.48 -0.03 1.82 -0.08 0.23 0.00 0.00 176.35 178.78 1xx7 h GLU 157 N 2.41 0.76 -0.06 1.70 4.22 -1.92 -2.76 114.58 118.94 1xx7 h GLU 157 Ca -0.47 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 58.94 1xx7 h GLU 157 Cb 1.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1xx7 h GLU 157 CO 0.70 0.50 0.06 0.97 -2.18 0.00 0.00 179.01 179.06 1xx7 h ILE 158 N 0.78 0.60 0.00 2.32 6.09 -1.94 -3.10 117.51 122.26 1xx7 h ILE 158 Ca 0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.80 1xx7 h ILE 158 Cb 0.15 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1xx7 h ILE 158 CO -0.17 0.00 0.00 0.77 -3.07 0.00 0.00 178.15 175.68 1xx7 h SER 159 N 0.00 0.00 -0.05 2.19 4.64 -1.73 -0.96 113.55 117.64 1xx7 h SER 159 Ca 0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1xx7 h SER 159 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1xx7 h SER 159 CO -0.00 0.00 0.05 0.08 -0.87 0.00 0.00 176.83 176.08 1xx7 h ARG 160 N 0.00 0.00 -0.15 4.77 0.11 -1.73 -1.66 114.38 115.72 1xx7 h ARG 160 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xx7 h ARG 160 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1xx7 h ARG 160 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1xx7 n TYR 161 N -4.07 0.18 -2.15 4.08 4.01 -0.36 -4.34 117.16 114.51 1xx7 n TYR 161 Ca -0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 57.90 57.61 1xx7 n TYR 161 Cb 0.14 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.26 1xx7 n TYR 161 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xx7 n LEU 162 N 0.68 2.54 0.30 7.72 4.77 -0.63 -4.81 117.00 127.57 1xx7 n LEU 162 Ca 0.17 -3.43 0.19 0.00 -0.03 0.00 0.00 56.01 52.91 1xx7 n LEU 162 Cb 0.43 -0.17 0.88 0.00 -2.33 0.00 0.00 43.42 42.23 1xx7 n LEU 162 CO 0.15 1.25 1.06 0.03 -1.33 0.00 0.00 177.39 178.55 1xx7 h ARG 163 N 1.54 0.00 0.05 3.23 2.47 -1.75 -2.84 114.38 117.08 1xx7 h ARG 163 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1xx7 h ARG 163 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1xx7 h ARG 163 CO 0.23 0.01 -0.02 0.93 0.56 0.00 0.00 179.97 181.68 1xx7 h GLU 164 N 0.00 -0.06 -0.53 0.04 3.07 -1.92 -2.92 114.58 112.26 1xx7 h GLU 164 Ca -0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1xx7 h GLU 164 Cb 0.32 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1xx7 h GLU 164 CO 0.00 -0.04 0.42 0.97 -1.40 0.00 0.00 179.01 178.96 1xx7 h ILE 165 N -0.16 0.62 0.39 3.13 -0.00 -1.95 0.30 117.51 119.84 1xx7 h ILE 165 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.83 1xx7 h ILE 165 Cb 0.05 0.70 0.00 0.00 -0.00 0.00 0.00 36.82 37.57 1xx7 h ILE 165 CO 0.01 0.00 -0.19 0.40 -0.00 0.00 0.00 178.15 178.37 1xx7 h ILE 166 N 0.00 0.61 -0.50 2.19 2.04 -1.63 -2.50 117.51 117.72 1xx7 h ILE 166 Ca 0.25 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1xx7 h ILE 166 Cb 1.09 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1xx7 h ILE 166 CO -0.00 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.12 1xx7 h GLU 167 N -0.53 0.68 -0.90 2.37 5.08 -0.27 0.13 114.58 121.14 1xx7 h GLU 167 Ca -0.05 -0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.48 1xx7 h GLU 167 Cb 0.41 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 1xx7 h GLU 167 CO 0.08 0.50 0.37 0.93 -1.00 0.00 0.00 179.01 179.90 1xx7 h GLU 168 N 0.67 0.34 0.00 2.33 5.08 -1.14 -1.35 114.58 120.51 1xx7 h GLU 168 Ca 0.18 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 1xx7 h GLU 168 Cb -0.00 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1xx7 h GLU 168 CO -0.03 0.22 -1.50 0.28 -1.00 0.00 0.00 179.01 176.99 1xx7 h VAL 169 N 0.35 1.02 0.28 3.13 2.07 -0.87 -3.29 116.25 118.94 1xx7 h VAL 169 Ca 0.57 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1xx7 h VAL 169 Cb 1.13 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1xx7 h VAL 169 CO -0.56 0.58 -0.14 -0.09 0.02 0.00 0.00 177.57 177.38 1xx7 h ARG 170 N 0.00 -0.36 -0.79 1.57 2.43 -0.50 -2.96 114.38 113.77 1xx7 h ARG 170 Ca -0.21 0.02 0.27 0.00 -0.81 0.00 0.00 59.98 59.26 1xx7 h ARG 170 Cb 1.91 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 31.40 1xx7 h ARG 170 CO 0.09 -0.16 0.20 0.54 -1.51 0.00 0.00 179.97 179.12 1xx7 n ARG 171 N -5.20 -0.06 0.00 0.20 3.00 -0.53 -5.10 116.66 108.97 1xx7 n ARG 171 Ca -0.10 1.14 0.03 0.00 -0.01 0.00 0.00 57.85 58.91 1xx7 n ARG 171 Cb 0.20 -1.91 0.20 0.00 0.00 0.00 0.00 32.46 30.96 1xx7 n ARG 171 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91