#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx5 h LEU 3 N 0.00 -0.48 -0.28 1.04 5.85 -1.98 -0.32 115.31 119.14 1sx5 h LEU 3 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1sx5 h LEU 3 Cb 0.00 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1sx5 h LEU 3 CO 0.00 -0.22 0.08 -0.09 -0.34 0.00 0.00 178.44 177.87 1sx5 h ARG 4 N -0.26 0.19 -0.21 1.25 2.43 -2.00 0.83 114.38 116.61 1sx5 h ARG 4 Ca 0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1sx5 h ARG 4 Cb 0.34 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1sx5 h ARG 4 CO -0.17 0.12 -0.44 0.66 -1.51 0.00 0.00 179.97 178.63 1sx5 h SER 5 N 0.19 0.56 -0.21 -3.80 4.64 -1.97 -1.43 113.55 111.54 1sx5 h SER 5 Ca 0.13 -0.26 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 1sx5 h SER 5 Cb 0.11 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1sx5 h SER 5 CO -0.15 0.93 -0.08 0.44 -0.87 0.00 0.00 176.83 177.10 1sx5 h ASP 6 N 0.42 0.55 -0.01 4.97 3.32 -0.89 -0.71 116.42 124.07 1sx5 h ASP 6 Ca 0.03 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1sx5 h ASP 6 Cb 0.95 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1sx5 h ASP 6 CO 0.08 0.68 -0.00 0.25 -1.72 0.00 0.00 179.24 178.53 1sx5 h LEU 7 N 0.53 0.03 -1.08 1.55 5.85 -0.27 -1.54 115.31 120.38 1sx5 h LEU 7 Ca 0.10 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 1sx5 h LEU 7 Cb 0.47 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1sx5 h LEU 7 CO 0.02 0.42 -0.37 -0.29 -0.34 0.00 0.00 178.44 177.88 1sx5 h ILE 8 N -0.36 1.29 -0.67 4.05 6.09 -1.28 -0.90 117.51 125.73 1sx5 h ILE 8 Ca 0.00 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.10 1sx5 h ILE 8 Cb 0.40 1.63 -0.03 0.00 0.47 0.00 0.00 36.82 39.30 1sx5 h ILE 8 CO 0.00 0.41 0.35 0.78 -3.07 0.00 0.00 178.15 176.62 1sx5 h ASN 9 N 0.14 0.84 -0.46 2.19 2.35 -0.99 0.51 115.58 120.17 1sx5 h ASN 9 Ca 0.02 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1sx5 h ASN 9 Cb 0.72 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1sx5 h ASN 9 CO 0.05 0.71 -0.16 0.00 -1.65 0.00 0.00 177.43 176.38 1sx5 h ALA 10 N 1.17 0.64 -0.62 -0.83 0.00 -0.85 -1.12 119.26 117.65 1sx5 h ALA 10 Ca 0.23 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1sx5 h ALA 10 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sx5 h ALA 10 CO -0.04 0.58 0.05 -0.07 0.00 0.00 0.00 179.25 179.77 1sx5 h LEU 11 N 0.76 1.03 -0.32 0.00 3.38 -0.90 0.57 115.31 119.83 1sx5 h LEU 11 Ca 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1sx5 h LEU 11 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1sx5 h LEU 11 CO 0.06 1.06 0.12 0.22 0.09 0.00 0.00 178.44 179.99 1sx5 h TYR 12 N 0.97 0.49 0.14 1.13 3.20 -0.82 -1.19 116.97 120.89 1sx5 h TYR 12 Ca 0.18 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1sx5 h TYR 12 Cb 0.50 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1sx5 h TYR 12 CO 0.04 0.47 -0.07 0.22 -1.64 0.00 0.00 178.16 177.18 1sx5 h ASP 13 N 0.36 -0.16 -0.92 -2.11 3.58 -0.99 -1.85 116.42 114.33 1sx5 h ASP 13 Ca 0.10 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1sx5 h ASP 13 Cb 0.19 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1sx5 h ASP 13 CO -0.01 -0.02 0.61 -0.08 -2.88 0.00 0.00 179.24 176.86 1sx5 h GLU 14 N -0.28 1.19 -0.67 0.28 4.57 -0.83 -0.63 114.58 118.21 1sx5 h GLU 14 Ca -0.02 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1sx5 h GLU 14 Cb 0.22 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1sx5 h GLU 14 CO 0.03 0.79 0.20 -0.97 -1.18 0.00 0.00 179.01 177.88 1sx5 h ASN 15 N 1.22 0.96 -0.51 1.04 -1.24 -1.09 -0.73 115.58 115.24 1sx5 h ASN 15 Ca 0.34 -0.17 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 1sx5 h ASN 15 Cb -0.10 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.68 1sx5 h ASN 15 CO -0.08 0.90 -0.16 -0.61 -1.29 0.00 0.00 177.43 176.19 1sx5 h GLN 16 N 0.99 1.01 0.04 6.67 5.75 -0.45 -3.37 115.11 125.76 1sx5 h GLN 16 Ca 0.22 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1sx5 h GLN 16 Cb 0.29 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1sx5 h GLN 16 CO -0.01 1.09 -0.02 0.87 -2.65 0.00 0.00 178.83 178.11 1sx5 h LYS 17 N 0.89 -0.06 -5.78 1.69 6.56 -0.82 -3.48 116.57 115.58 1sx5 h LYS 17 Ca 0.13 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 59.07 1sx5 h LYS 17 Cb 0.74 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.35 1sx5 h LYS 17 CO 0.06 0.29 -0.48 0.71 -2.06 0.00 0.00 179.45 177.97 1sx5 s TYR 18 N -2.06 3.56 -0.06 -1.35 2.02 -0.31 -5.11 117.35 114.04 1sx5 s TYR 18 Ca -0.07 0.41 0.06 0.00 -0.37 0.00 0.00 57.07 57.09 1sx5 s TYR 18 Cb -0.01 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1sx5 s TYR 18 CO 0.27 0.67 -0.24 -0.51 -1.57 0.00 0.00 175.55 174.16 1sx5 s ASP 19 N -1.72 2.95 0.13 2.29 -0.00 -1.26 -4.65 116.67 114.41 1sx5 s ASP 19 Ca 0.25 -0.50 -0.24 0.00 -0.00 0.00 0.00 52.55 52.05 1sx5 s ASP 19 Cb -0.13 -0.89 -0.07 0.00 -0.00 0.00 0.00 42.92 41.83 1sx5 s ASP 19 CO 0.15 0.22 0.75 -0.69 -0.00 0.00 0.00 175.17 175.60 1sx5 s VAL 20 N -0.07 4.48 0.00 -1.27 1.01 -1.26 -4.97 120.40 118.33 1sx5 s VAL 20 Ca -0.06 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1sx5 s VAL 20 Cb -0.14 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1sx5 s VAL 20 CO 0.04 0.50 0.36 0.00 0.00 0.00 0.00 175.10 176.00 1sx5 n GLY 22 N -0.04 -0.97 3.69 0.00 0.00 -1.26 -4.05 105.19 102.56 1sx5 n GLY 22 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1sx5 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sx5 s ILE 23 N -2.00 4.18 0.08 -0.61 -4.36 -0.43 -4.92 121.20 113.14 1sx5 s ILE 23 Ca 0.00 -0.63 0.09 0.00 -0.26 0.00 0.00 60.65 59.85 1sx5 s ILE 23 Cb 0.00 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 1sx5 s ILE 23 CO 0.00 0.34 -0.25 -0.51 0.24 0.00 0.00 174.94 174.76 1sx5 s ILE 24 N -1.12 2.06 0.26 8.37 2.07 -1.26 -0.49 121.20 131.10 1sx5 s ILE 24 Ca 0.21 -1.49 0.05 0.00 -1.41 0.00 0.00 60.65 58.01 1sx5 s ILE 24 Cb -0.12 -1.80 -0.03 0.00 0.13 0.00 0.00 42.46 40.65 1sx5 s ILE 24 CO 0.11 0.22 0.38 -0.94 -1.91 0.00 0.00 174.94 172.81 1sx5 s SER 25 N -1.54 6.23 0.65 4.50 1.04 -0.27 -4.97 113.70 119.34 1sx5 s SER 25 Ca 0.11 0.00 0.43 0.00 0.48 0.00 0.00 55.95 56.98 1sx5 s SER 25 Cb -0.10 -1.70 2.29 0.00 0.10 0.00 0.00 66.02 66.61 1sx5 s SER 25 CO 0.03 -0.16 2.33 0.00 0.98 0.00 0.00 173.24 176.42 1sx5 h ALA 26 N 1.11 1.01 -0.00 5.32 0.00 -2.01 0.16 119.26 124.85 1sx5 h ALA 26 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1sx5 h ALA 26 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sx5 h ALA 26 CO 0.59 0.00 -0.06 0.39 0.00 0.00 0.00 179.25 180.17 1sx5 n GLU 27 N -3.10 0.89 -0.35 0.00 4.71 -1.26 -4.92 120.64 116.60 1sx5 n GLU 27 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.85 1sx5 n GLU 27 Cb 0.10 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1sx5 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sx5 n GLY 28 N 1.20 0.74 3.79 0.62 0.00 0.57 -5.06 105.19 107.05 1sx5 n GLY 28 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1sx5 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sx5 s LYS 29 N -0.65 4.42 -0.11 1.61 0.00 -1.26 -4.01 119.74 119.75 1sx5 s LYS 29 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 55.97 56.96 1sx5 s LYS 29 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 37.83 34.55 1sx5 s LYS 29 CO 0.00 0.59 -0.10 0.42 0.00 0.00 0.00 175.35 176.25 1sx5 s ILE 30 N -1.09 3.33 -0.17 3.79 1.01 0.37 -1.11 121.20 127.33 1sx5 s ILE 30 Ca 0.33 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1sx5 s ILE 30 Cb -0.22 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1sx5 s ILE 30 CO 0.23 0.55 -0.04 -0.31 0.00 0.00 0.00 174.94 175.37 1sx5 s TYR 31 N -0.08 2.99 0.98 3.97 1.51 0.36 -1.11 117.35 125.97 1sx5 s TYR 31 Ca -0.01 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.44 1sx5 s TYR 31 Cb -0.14 -2.00 0.18 0.00 -0.11 0.00 0.00 41.96 39.89 1sx5 s TYR 31 CO 0.03 -0.20 1.08 -2.14 -1.11 0.00 0.00 175.55 173.22 1sx5 s PRO 32 N 0.72 0.54 0.14 -1.71 0.02 -1.26 -1.32 135.00 132.13 1sx5 s PRO 32 Ca -0.02 0.96 -0.25 0.00 0.02 0.00 0.00 61.00 61.71 1sx5 s PRO 32 Cb -0.15 -1.71 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1sx5 s PRO 32 CO 0.02 -2.78 0.75 -0.51 -0.33 0.00 0.00 177.00 174.16 1sx5 s LEU 33 N -6.60 4.57 0.00 -5.54 1.43 -1.26 -4.77 118.68 106.52 1sx5 s LEU 33 Ca 0.66 1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 1sx5 s LEU 33 Cb -0.21 -3.24 0.11 0.00 0.03 0.00 0.00 46.19 42.88 1sx5 s LEU 33 CO 0.59 0.19 0.73 0.61 0.23 0.00 0.00 176.35 178.70 1sx5 n GLY 34 N 1.71 0.11 0.12 -3.19 0.00 -1.26 -4.52 105.19 98.16 1sx5 n GLY 34 Ca -0.06 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1sx5 n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sx5 h SER 35 N -0.61 0.43 -3.41 1.61 0.02 -1.93 -3.44 113.55 106.21 1sx5 h SER 35 Ca -0.24 -0.82 -0.44 0.00 -0.84 0.00 0.00 61.79 59.45 1sx5 h SER 35 Cb 0.81 -0.13 0.20 0.00 0.14 0.00 0.00 62.40 63.41 1sx5 h SER 35 CO 0.23 1.20 0.06 1.51 -1.14 0.00 0.00 176.83 178.68 1sx5 s ASP 36 N -6.69 1.33 0.53 3.07 1.47 -1.26 -4.82 116.67 110.30 1sx5 s ASP 36 Ca -0.14 1.37 0.31 0.00 1.18 0.00 0.00 52.55 55.27 1sx5 s ASP 36 Cb 0.02 -2.13 1.34 0.00 -0.34 0.00 0.00 42.92 41.81 1sx5 s ASP 36 CO 0.80 -3.96 1.98 0.74 0.68 0.00 0.00 175.17 175.41 1sx5 h THR 37 N -2.46 0.20 -0.39 2.11 2.02 -1.97 -1.30 112.91 111.12 1sx5 h THR 37 Ca -0.60 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.01 1sx5 h THR 37 Cb 1.34 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.21 1sx5 h THR 37 CO 0.53 0.07 0.06 0.00 0.37 0.00 0.00 175.52 176.55 1sx5 h ALA 38 N 1.93 0.41 -0.12 6.16 0.00 -1.99 0.70 119.26 126.35 1sx5 h ALA 38 Ca -0.00 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1sx5 h ALA 38 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sx5 h ALA 38 CO 0.01 -0.34 -0.45 0.28 0.00 0.00 0.00 179.25 178.75 1sx5 h VAL 39 N 0.18 1.36 -0.15 0.00 2.07 -1.78 -3.06 116.25 114.88 1sx5 h VAL 39 Ca 0.19 -1.76 -0.15 0.00 0.82 0.00 0.00 66.70 65.80 1sx5 h VAL 39 Cb 0.24 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1sx5 h VAL 39 CO -0.26 0.53 -0.55 -0.07 0.02 0.00 0.00 177.57 177.23 1sx5 h LEU 40 N 0.13 0.51 -1.15 2.57 -0.00 -0.76 -1.81 115.31 114.80 1sx5 h LEU 40 Ca -0.02 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1sx5 h LEU 40 Cb 1.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 1sx5 h LEU 40 CO 0.10 0.96 0.18 0.77 -0.00 0.00 0.00 178.44 180.44 1sx5 h SER 41 N 0.35 0.71 -0.12 -0.43 4.64 0.33 0.89 113.55 119.92 1sx5 h SER 41 Ca 0.00 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1sx5 h SER 41 Cb 1.08 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1sx5 h SER 41 CO 0.10 0.67 -0.06 0.74 -0.87 0.00 0.00 176.83 177.41 1sx5 h THR 42 N 0.76 1.32 -0.36 2.95 2.02 -1.35 -2.55 112.91 115.70 1sx5 h THR 42 Ca 0.18 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1sx5 h THR 42 Cb 0.20 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1sx5 h THR 42 CO -0.01 0.31 0.23 0.40 0.37 0.00 0.00 175.52 176.82 1sx5 h ILE 43 N -0.10 1.08 -0.07 3.11 5.03 -0.94 -0.63 117.51 125.00 1sx5 h ILE 43 Ca 0.03 -0.16 -0.11 0.00 -0.12 0.00 0.00 64.86 64.50 1sx5 h ILE 43 Cb 0.52 0.56 -0.01 0.00 -3.03 0.00 0.00 36.82 34.86 1sx5 h ILE 43 CO 0.02 0.09 -0.45 -0.26 -0.68 0.00 0.00 178.15 176.86 1sx5 h PHE 44 N 0.47 0.18 -0.34 1.37 0.04 -0.86 0.18 116.94 117.99 1sx5 h PHE 44 Ca 0.13 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 1sx5 h PHE 44 Cb -0.04 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1sx5 h PHE 44 CO -0.06 0.58 -0.07 0.93 -0.60 0.00 0.00 178.31 179.10 1sx5 h GLU 45 N 0.13 0.65 -0.52 1.51 5.08 -1.13 -1.96 114.58 118.34 1sx5 h GLU 45 Ca 0.01 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1sx5 h GLU 45 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1sx5 h GLU 45 CO 0.07 0.81 0.04 -0.07 -1.00 0.00 0.00 179.01 178.86 1sx5 h LEU 46 N 0.44 0.82 -1.60 1.33 3.38 -0.74 -1.86 115.31 117.07 1sx5 h LEU 46 Ca 0.09 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sx5 h LEU 46 Cb 0.56 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1sx5 h LEU 46 CO 0.03 0.86 0.32 0.15 0.09 0.00 0.00 178.44 179.89 1sx5 h PHE 47 N 0.80 0.50 0.00 1.13 3.57 -0.82 -2.89 116.94 119.23 1sx5 h PHE 47 Ca 0.16 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1sx5 h PHE 47 Cb 0.42 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1sx5 h PHE 47 CO 0.02 0.29 -0.39 0.77 -2.23 0.00 0.00 178.31 176.77 1sx5 h SER 48 N 0.51 0.00 0.10 0.41 0.02 -0.55 -3.39 113.55 110.65 1sx5 h SER 48 Ca 0.20 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1sx5 h SER 48 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1sx5 h SER 48 CO -0.05 0.39 -0.17 0.03 -1.14 0.00 0.00 176.83 175.89 1sx5 h ARG 49 N 0.00 -0.31 -0.21 3.45 3.08 -1.28 -1.60 114.38 117.51 1sx5 h ARG 49 Ca -0.00 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1sx5 h ARG 49 Cb 1.23 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1sx5 h ARG 49 CO 0.05 -0.21 -0.17 -1.35 -1.07 0.00 0.00 179.97 177.22 1sx5 h PRO 50 N -0.33 0.35 -0.18 0.04 0.11 -1.77 -1.63 132.00 128.60 1sx5 h PRO 50 Ca 0.02 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1sx5 h PRO 50 Cb 0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1sx5 h PRO 50 CO -0.09 0.52 0.05 0.82 -0.21 0.00 0.00 178.00 179.09 1sx5 h ILE 51 N 0.33 1.20 -0.91 4.15 2.04 -1.68 -1.46 117.51 121.17 1sx5 h ILE 51 Ca 0.06 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1sx5 h ILE 51 Cb 0.50 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1sx5 h ILE 51 CO 0.03 0.19 0.51 0.40 0.00 0.00 0.00 178.15 179.29 1sx5 h ILE 52 N 0.10 1.26 -0.32 -0.67 2.04 -1.17 -2.20 117.51 116.55 1sx5 h ILE 52 Ca 0.06 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1sx5 h ILE 52 Cb 0.25 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1sx5 h ILE 52 CO -0.00 0.29 -0.10 -1.13 0.00 0.00 0.00 178.15 177.21 1sx5 h ASN 53 N 1.27 0.65 -0.14 1.72 -1.24 -1.09 -1.10 115.58 115.65 1sx5 h ASN 53 Ca 0.32 -0.38 0.01 0.00 0.71 0.00 0.00 56.30 56.96 1sx5 h ASN 53 Cb 0.01 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 1sx5 h ASN 53 CO -0.05 0.88 0.08 0.50 -1.29 0.00 0.00 177.43 177.55 1sx5 h LYS 54 N 0.41 0.17 -0.40 6.67 3.64 -1.08 0.94 116.57 126.92 1sx5 h LYS 54 Ca 0.08 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1sx5 h LYS 54 Cb 0.61 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1sx5 h LYS 54 CO 0.04 0.11 -0.12 0.82 -2.27 0.00 0.00 179.45 178.03 1sx5 h ILE 55 N 0.17 1.28 -0.53 2.00 1.08 -1.34 -1.07 117.51 119.09 1sx5 h ILE 55 Ca 0.06 -1.22 0.04 0.00 -0.39 0.00 0.00 64.86 63.34 1sx5 h ILE 55 Cb -0.00 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1sx5 h ILE 55 CO -0.03 0.41 0.29 0.00 -0.69 0.00 0.00 178.15 178.14 1sx5 h ALA 56 N 0.83 0.69 -0.41 1.87 0.00 -1.01 -2.31 119.26 118.92 1sx5 h ALA 56 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sx5 h ALA 56 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1sx5 h ALA 56 CO 0.04 -0.03 0.08 0.93 0.00 0.00 0.00 179.25 180.28 1sx5 h GLU 57 N 0.57 0.67 -0.46 0.00 5.08 -0.60 0.80 114.58 120.64 1sx5 h GLU 57 Ca 0.23 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 1sx5 h GLU 57 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1sx5 h GLU 57 CO -0.13 0.70 0.46 0.87 -1.00 0.00 0.00 179.01 179.91 1sx5 h LYS 58 N 0.53 0.00 -0.03 2.33 6.56 -0.65 0.41 116.57 125.72 1sx5 h LYS 58 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1sx5 h LYS 58 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1sx5 h LYS 58 CO 0.00 0.00 -0.02 0.72 -2.06 0.00 0.00 179.45 178.09 1sx5 n HIS 59 N -3.80 0.00 -0.53 -1.35 8.25 -0.87 -4.98 115.22 111.94 1sx5 n HIS 59 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1sx5 n HIS 59 Cb 0.66 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1sx5 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sx5 n GLY 60 N 1.35 0.70 3.91 -1.41 0.00 0.14 -5.07 105.19 104.80 1sx5 n GLY 60 Ca 0.14 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1sx5 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sx5 s TYR 61 N -2.00 3.52 -0.05 1.61 1.51 0.22 -4.60 117.35 117.57 1sx5 s TYR 61 Ca 0.00 0.37 -0.19 0.00 -1.01 0.00 0.00 57.07 56.25 1sx5 s TYR 61 Cb 0.00 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 1sx5 s TYR 61 CO 0.00 0.57 0.52 0.42 -1.11 0.00 0.00 175.55 175.94 1sx5 s ILE 62 N -1.49 5.04 -0.19 2.71 1.09 0.58 -3.93 121.20 125.00 1sx5 s ILE 62 Ca 0.34 1.06 -0.03 0.00 -1.10 0.00 0.00 60.65 60.92 1sx5 s ILE 62 Cb -0.13 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.41 1sx5 s ILE 62 CO 0.24 0.41 -0.05 0.54 -0.10 0.00 0.00 174.94 175.99 1sx5 s VAL 63 N -0.05 3.49 -0.07 2.92 0.11 -1.26 -2.12 120.40 123.42 1sx5 s VAL 63 Ca 0.28 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1sx5 s VAL 63 Cb -0.17 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.14 1sx5 s VAL 63 CO 0.14 0.46 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.55 1sx5 s GLU 64 N 0.97 1.62 0.23 1.54 2.12 0.19 -4.98 118.70 120.39 1sx5 s GLU 64 Ca -0.00 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.00 1sx5 s GLU 64 Cb -0.15 -1.39 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 1sx5 s GLU 64 CO 0.01 -0.01 0.34 -1.21 -0.54 0.00 0.00 175.26 173.84 1sx5 s GLU 65 N 0.79 3.40 0.20 4.30 2.02 -1.26 -0.64 118.70 127.51 1sx5 s GLU 65 Ca -0.12 -0.77 -0.33 0.00 0.02 0.00 0.00 54.97 53.77 1sx5 s GLU 65 Cb -0.15 -2.87 -0.13 0.00 0.10 0.00 0.00 34.13 31.07 1sx5 s GLU 65 CO 0.02 0.44 1.56 -2.30 0.02 0.00 0.00 175.26 175.00 1sx5 n PRO 66 N -1.30 2.27 0.15 0.39 -0.02 -1.26 -4.86 135.00 130.36 1sx5 n PRO 66 Ca -0.09 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1sx5 n PRO 66 Cb 0.57 -2.57 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1sx5 n PRO 66 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sx5 h LYS 67 N 5.50 0.00 -6.61 -0.52 6.56 -1.96 -3.45 116.57 116.09 1sx5 h LYS 67 Ca -0.45 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.46 1sx5 h LYS 67 Cb 1.25 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.70 1sx5 h LYS 67 CO 0.86 0.02 -0.80 -0.65 -2.06 0.00 0.00 179.45 176.82 1sx5 s GLN 68 N -3.28 2.00 0.82 3.15 -0.21 -1.26 -5.13 119.66 115.76 1sx5 s GLN 68 Ca 0.03 -1.03 -0.11 0.00 0.02 0.00 0.00 55.36 54.26 1sx5 s GLN 68 Cb 0.07 -2.18 0.09 0.00 1.00 0.00 0.00 33.01 31.99 1sx5 s GLN 68 CO 0.74 0.52 1.09 -0.65 -2.12 0.00 0.00 175.29 174.87 1sx5 s GLN 69 N -1.70 1.86 -1.82 2.91 -1.52 -1.26 -3.60 119.66 114.53 1sx5 s GLN 69 Ca 0.16 0.85 0.00 0.00 -1.95 0.00 0.00 55.36 54.42 1sx5 s GLN 69 Cb -0.11 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.81 1sx5 s GLN 69 CO 0.07 -1.83 0.00 0.09 -0.25 0.00 0.00 175.29 173.37 1sx5 n ASN 70 N -3.61 -5.14 -4.23 5.90 3.02 -1.26 -4.98 115.26 104.96 1sx5 n ASN 70 Ca 0.07 0.36 -0.32 0.00 -0.03 0.00 0.00 54.58 54.66 1sx5 n ASN 70 Cb 0.55 -4.21 -0.17 0.00 -0.61 0.00 0.00 39.78 35.35 1sx5 n ASN 70 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1sx5 s HIS 71 N -2.70 2.58 0.36 3.10 3.76 -1.24 -4.74 115.29 116.42 1sx5 s HIS 71 Ca 0.00 -1.02 -0.16 0.00 -0.15 0.00 0.00 55.06 53.73 1sx5 s HIS 71 Cb 0.00 -1.72 -0.09 0.00 1.11 0.00 0.00 32.58 31.88 1sx5 s HIS 71 CO 0.00 -0.41 0.79 -0.47 -0.85 0.00 0.00 174.74 173.80 1sx5 s TYR 72 N 0.35 3.37 0.43 1.40 6.14 0.06 -4.65 117.35 124.45 1sx5 s TYR 72 Ca -0.18 1.28 0.08 0.00 0.64 0.00 0.00 57.07 58.89 1sx5 s TYR 72 Cb -0.18 -2.59 0.01 0.00 0.42 0.00 0.00 41.96 39.62 1sx5 s TYR 72 CO 0.09 0.02 0.53 -1.25 0.64 0.00 0.00 175.55 175.58 1sx5 s PRO 73 N -3.14 2.73 0.28 4.97 0.04 -1.26 -0.97 135.00 137.65 1sx5 s PRO 73 Ca 0.55 -1.34 0.02 0.00 0.04 0.00 0.00 61.00 60.27 1sx5 s PRO 73 Cb -0.10 -2.65 0.58 0.00 0.04 0.00 0.00 34.50 32.37 1sx5 s PRO 73 CO 0.18 -0.28 1.81 -0.44 0.04 0.00 0.00 177.00 178.32 1sx5 h ASP 74 N 0.72 0.85 -3.52 6.66 3.32 -1.78 -3.39 116.42 119.28 1sx5 h ASP 74 Ca -0.40 0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.45 1sx5 h ASP 74 Cb 1.28 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 1sx5 h ASP 74 CO 0.48 0.42 -0.68 -0.36 -1.72 0.00 0.00 179.24 177.38 1sx5 s PHE 75 N -5.94 -0.05 -0.18 4.55 0.08 -0.31 -4.34 117.98 111.79 1sx5 s PHE 75 Ca -0.12 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1sx5 s PHE 75 Cb 0.23 -0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.50 1sx5 s PHE 75 CO 0.80 -0.11 -0.02 0.99 -0.10 0.00 0.00 175.22 176.78 1sx5 s THR 76 N 0.97 3.84 -0.04 0.64 2.01 0.19 -0.35 115.64 122.90 1sx5 s THR 76 Ca -0.08 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1sx5 s THR 76 Cb -0.11 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1sx5 s THR 76 CO -0.04 0.46 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.37 1sx5 s LEU 77 N 0.74 2.22 -0.12 4.42 1.02 0.25 -0.64 118.68 126.58 1sx5 s LEU 77 Ca -0.01 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 53.40 1sx5 s LEU 77 Cb -0.14 -1.41 0.12 0.00 0.02 0.00 0.00 46.19 44.79 1sx5 s LEU 77 CO 0.02 0.30 1.08 -0.72 0.02 0.00 0.00 176.35 177.04 1sx5 s TYR 78 N -0.46 -0.22 -0.07 0.29 1.13 -0.90 -0.51 117.35 116.61 1sx5 s TYR 78 Ca 0.05 0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.76 1sx5 s TYR 78 Cb -0.12 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 1sx5 s TYR 78 CO 0.01 -0.34 0.27 0.15 -2.51 0.00 0.00 175.55 173.12 1sx5 s LYS 79 N -2.63 3.68 0.46 -3.49 1.02 -1.26 -0.31 119.74 117.21 1sx5 s LYS 79 Ca 0.07 0.12 0.16 0.00 0.02 0.00 0.00 55.97 56.35 1sx5 s LYS 79 Cb -0.01 -3.21 1.13 0.00 -0.52 0.00 0.00 37.83 35.22 1sx5 s LYS 79 CO -0.06 0.72 2.00 -1.35 -0.92 0.00 0.00 175.35 175.75 1sx5 h PRO 80 N 4.91 0.27 0.00 -1.68 0.11 -2.00 -0.94 132.00 132.68 1sx5 h PRO 80 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1sx5 h PRO 80 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sx5 h PRO 80 CO 0.60 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 1sx5 n SER 81 N -4.46 0.00 -3.18 -2.05 3.41 -1.26 -3.91 113.62 102.17 1sx5 n SER 81 Ca 0.08 -0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.22 1sx5 n SER 81 Cb 0.38 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1sx5 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sx5 n GLU 82 N -1.21 1.26 0.11 4.33 1.02 -0.36 -4.95 120.64 120.84 1sx5 n GLU 82 Ca 0.13 -3.59 0.17 0.00 -0.02 0.00 0.00 57.16 53.85 1sx5 n GLU 82 Cb 0.16 -1.65 0.72 0.00 -0.02 0.00 0.00 31.44 30.66 1sx5 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1sx5 h PRO 83 N 3.41 0.00 -0.53 3.49 0.13 -1.68 -1.54 132.00 135.30 1sx5 h PRO 83 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1sx5 h PRO 83 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1sx5 h PRO 83 CO 0.55 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 1sx5 n ASN 84 N -4.24 5.35 -2.52 1.44 4.13 -1.26 -4.23 115.26 113.93 1sx5 n ASN 84 Ca 0.05 -2.91 -0.17 0.00 1.68 0.00 0.00 54.58 53.22 1sx5 n ASN 84 Cb 0.42 -0.65 0.02 0.00 -1.54 0.00 0.00 39.78 38.03 1sx5 n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1sx5 n LYS 85 N 0.46 2.49 -2.20 3.52 5.02 -0.58 -4.43 118.16 122.44 1sx5 n LYS 85 Ca 0.27 -3.92 -0.33 0.00 -2.02 0.00 0.00 58.31 52.30 1sx5 n LYS 85 Cb 1.12 -1.84 -0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1sx5 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sx5 s LYS 86 N -3.44 3.42 -0.13 1.97 1.02 -0.37 -4.62 119.74 117.59 1sx5 s LYS 86 Ca 0.39 1.33 0.02 0.00 0.02 0.00 0.00 55.97 57.73 1sx5 s LYS 86 Cb 0.41 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 1sx5 s LYS 86 CO -0.06 -0.74 -0.21 0.42 -0.92 0.00 0.00 175.35 173.84 1sx5 s ILE 87 N -2.20 2.21 -0.15 2.17 1.01 0.33 -0.72 121.20 123.85 1sx5 s ILE 87 Ca 0.66 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1sx5 s ILE 87 Cb -0.18 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1sx5 s ILE 87 CO 0.31 0.54 0.26 0.00 0.00 0.00 0.00 174.94 176.05 1sx5 s ALA 88 N 0.69 3.64 -0.11 9.38 0.00 -0.34 -0.58 121.76 134.45 1sx5 s ALA 88 Ca -0.09 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1sx5 s ALA 88 Cb -0.16 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1sx5 s ALA 88 CO 0.01 0.19 -0.13 0.42 0.00 0.00 0.00 175.76 176.25 1sx5 s ILE 89 N 0.17 1.37 -0.06 0.00 1.01 0.53 0.32 121.20 124.55 1sx5 s ILE 89 Ca 0.16 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1sx5 s ILE 89 Cb -0.13 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 1sx5 s ILE 89 CO 0.04 0.42 -0.20 -0.62 0.00 0.00 0.00 174.94 174.58 1sx5 s ASP 90 N 1.17 2.54 -0.13 3.58 2.15 -0.28 -1.16 116.67 124.53 1sx5 s ASP 90 Ca -0.03 -0.43 -0.15 0.00 0.43 0.00 0.00 52.55 52.37 1sx5 s ASP 90 Cb -0.14 -0.80 -0.05 0.00 -0.30 0.00 0.00 42.92 41.64 1sx5 s ASP 90 CO -0.04 0.17 0.36 -0.63 -0.17 0.00 0.00 175.17 174.87 1sx5 s ILE 91 N 0.06 5.25 0.07 4.11 1.01 -1.26 -1.44 121.20 128.99 1sx5 s ILE 91 Ca -0.06 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.33 1sx5 s ILE 91 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1sx5 s ILE 91 CO 0.04 0.39 -0.13 -0.54 0.00 0.00 0.00 174.94 174.70 1sx5 s LYS 92 N 0.33 0.76 0.03 2.79 -0.14 -0.04 -4.95 119.74 118.53 1sx5 s LYS 92 Ca 0.20 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 1sx5 s LYS 92 Cb -0.14 -0.70 -0.02 0.00 -1.68 0.00 0.00 37.83 35.29 1sx5 s LYS 92 CO 0.07 0.15 -0.07 0.99 -0.76 0.00 0.00 175.35 175.73 1sx5 s THR 93 N -1.37 0.43 0.32 2.17 2.01 -1.26 -0.98 115.64 116.96 1sx5 s THR 93 Ca -0.03 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 1sx5 s THR 93 Cb -0.10 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1sx5 s THR 93 CO 0.02 -0.37 0.51 0.28 -0.69 0.00 0.00 174.62 174.37 1sx5 s THR 94 N -1.31 0.00 0.28 -0.82 -1.32 -0.61 -4.88 115.64 106.99 1sx5 s THR 94 Ca -0.10 -1.47 0.03 0.00 -1.21 0.00 0.00 61.69 58.94 1sx5 s THR 94 Cb -0.09 -2.55 -0.06 0.00 -1.51 0.00 0.00 72.50 68.29 1sx5 s THR 94 CO 0.00 0.00 0.06 -0.72 -2.21 0.00 0.00 174.62 171.75 1sx5 s TYR 95 N -3.24 1.73 0.07 9.09 1.13 -1.26 -2.67 117.35 122.20 1sx5 s TYR 95 Ca 0.26 -1.04 0.03 0.00 -1.41 0.00 0.00 57.07 54.91 1sx5 s TYR 95 Cb -0.01 -1.07 -0.03 0.00 -1.10 0.00 0.00 41.96 39.75 1sx5 s TYR 95 CO 0.16 -0.14 -0.10 -0.08 -2.51 0.00 0.00 175.55 172.88 1sx5 s THR 96 N -3.50 0.82 -0.09 -3.49 -1.32 -0.23 -4.88 115.64 102.95 1sx5 s THR 96 Ca 0.36 -1.35 0.13 0.00 -1.21 0.00 0.00 61.69 59.61 1sx5 s THR 96 Cb 0.08 -1.01 -0.24 0.00 -1.51 0.00 0.00 72.50 69.82 1sx5 s THR 96 CO 0.14 -0.42 0.47 -3.20 -2.21 0.00 0.00 174.62 169.40 1sx5 n ASN 97 N 1.06 0.72 -4.17 8.08 4.05 -1.26 -1.61 115.26 122.13 1sx5 n ASN 97 Ca -0.20 0.28 -0.28 0.00 0.45 0.00 0.00 54.58 54.84 1sx5 n ASN 97 Cb 0.56 0.18 -0.16 0.00 1.23 0.00 0.00 39.78 41.58 1sx5 n ASN 97 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1sx5 s LYS 98 N -2.57 2.05 0.35 1.20 1.02 -1.26 -4.67 119.74 115.86 1sx5 s LYS 98 Ca -0.08 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 54.94 1sx5 s LYS 98 Cb 0.07 -1.75 -0.12 0.00 -0.52 0.00 0.00 37.83 35.52 1sx5 s LYS 98 CO 0.82 0.27 1.26 0.39 -0.92 0.00 0.00 175.35 177.17 1sx5 n GLU 99 N 3.13 2.02 -0.98 1.68 4.71 -1.26 -3.18 120.64 126.77 1sx5 n GLU 99 Ca -0.18 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.68 1sx5 n GLU 99 Cb 0.53 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 1sx5 n GLU 99 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1sx5 n ASN 100 N 0.70 -3.97 -4.11 1.62 6.94 -1.26 -5.04 115.26 110.14 1sx5 n ASN 100 Ca 0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.32 1sx5 n ASN 100 Cb 0.36 -1.83 0.19 0.00 -2.36 0.00 0.00 39.78 36.14 1sx5 n ASN 100 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1sx5 s GLU 101 N -0.89 0.43 0.48 -3.83 -1.05 -1.19 -4.87 118.70 107.78 1sx5 s GLU 101 Ca 0.00 -0.35 -0.22 0.00 -0.15 0.00 0.00 54.97 54.24 1sx5 s GLU 101 Cb 0.00 -1.82 -0.07 0.00 -0.44 0.00 0.00 34.13 31.80 1sx5 s GLU 101 CO 0.00 -2.56 1.18 0.15 0.95 0.00 0.00 175.26 174.98 1sx5 s LYS 102 N -5.82 3.65 0.18 -4.83 1.02 -1.26 -4.66 119.74 108.02 1sx5 s LYS 102 Ca 0.73 1.81 0.03 0.00 0.02 0.00 0.00 55.97 58.56 1sx5 s LYS 102 Cb -0.05 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1sx5 s LYS 102 CO 0.53 -0.65 -0.02 0.96 -0.92 0.00 0.00 175.35 175.25 1sx5 s ILE 103 N -1.54 0.87 -0.04 2.17 -4.36 0.75 -4.86 121.20 114.18 1sx5 s ILE 103 Ca 0.65 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.89 1sx5 s ILE 103 Cb -0.29 -2.13 0.03 0.00 1.25 0.00 0.00 42.46 41.31 1sx5 s ILE 103 CO 0.35 -0.48 0.33 -0.54 0.24 0.00 0.00 174.94 174.84 1sx5 s LYS 104 N -3.87 0.63 0.23 0.37 -0.14 -1.26 -1.34 119.74 114.35 1sx5 s LYS 104 Ca 0.24 -0.03 0.10 0.00 -1.36 0.00 0.00 55.97 54.92 1sx5 s LYS 104 Cb 0.05 0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 36.44 1sx5 s LYS 104 CO 0.05 -0.16 -0.12 -0.06 -0.76 0.00 0.00 175.35 174.29 1sx5 s PHE 105 N -1.01 2.51 -0.25 3.18 0.40 -1.26 -4.84 117.98 116.71 1sx5 s PHE 105 Ca -0.11 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 1sx5 s PHE 105 Cb -0.04 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1sx5 s PHE 105 CO 0.04 0.59 0.26 0.95 0.70 0.00 0.00 175.22 177.76 1sx5 s THR 106 N -2.04 5.27 -0.36 0.64 -4.23 -1.26 -1.66 115.64 112.00 1sx5 s THR 106 Ca 0.27 0.37 0.10 0.00 -1.18 0.00 0.00 61.69 61.25 1sx5 s THR 106 Cb -0.07 -3.60 0.67 0.00 1.34 0.00 0.00 72.50 70.84 1sx5 s THR 106 CO 0.15 0.25 1.60 0.18 -0.54 0.00 0.00 174.62 176.27 1sx5 n LEU 107 N 4.81 5.24 0.00 4.79 4.77 0.22 -4.97 117.00 131.86 1sx5 n LEU 107 Ca -0.12 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1sx5 n LEU 107 Cb 0.52 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1sx5 n LEU 107 CO 0.36 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1sx5 n GLY 108 N 0.25 -0.16 3.71 -0.72 0.00 -1.26 -4.73 105.19 102.29 1sx5 n GLY 108 Ca 0.29 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 1sx5 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx5 n GLY 109 N -0.05 0.45 0.87 -0.02 0.00 -1.26 -0.31 105.19 104.87 1sx5 n GLY 109 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1sx5 n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sx5 n TYR 110 N -1.92 0.41 -0.45 1.61 0.18 -0.44 -4.57 117.16 111.99 1sx5 n TYR 110 Ca 0.16 -0.28 0.03 0.00 1.88 0.00 0.00 57.90 59.68 1sx5 n TYR 110 Cb 0.48 -0.01 0.04 0.00 -0.38 0.00 0.00 39.34 39.47 1sx5 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1sx5 n THR 111 N 1.04 1.09 0.00 -3.48 -2.24 -1.26 -4.56 114.28 104.88 1sx5 n THR 111 Ca 0.15 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1sx5 n THR 111 Cb 0.49 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1sx5 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sx5 n SER 112 N -0.67 0.00 0.31 3.42 3.41 -1.26 -4.70 113.62 114.12 1sx5 n SER 112 Ca 0.04 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.82 1sx5 n SER 112 Cb 0.39 0.00 0.98 0.00 -0.26 0.00 0.00 64.21 65.32 1sx5 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1sx5 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.56 -0.85 116.94 116.71 1sx5 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1sx5 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1sx5 h PHE 113 CO 0.00 0.02 0.00 -0.84 -2.00 0.00 0.00 178.31 175.49 1sx5 h ILE 114 N 0.00 0.00 -0.00 0.88 3.07 -1.87 -3.12 117.51 116.46 1sx5 h ILE 114 Ca -0.00 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1sx5 h ILE 114 Cb 0.08 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 1sx5 h ILE 114 CO 0.00 0.00 -0.40 0.54 -1.05 0.00 0.00 178.15 177.24 1sx5 n ARG 115 N -2.48 3.57 -3.52 0.16 1.74 -0.44 -4.90 116.66 110.80 1sx5 n ARG 115 Ca 0.03 -0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 1sx5 n ARG 115 Cb 0.34 -0.97 -0.14 0.00 -1.02 0.00 0.00 32.46 30.68 1sx5 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sx5 s ASN 116 N -1.79 1.86 0.55 0.55 3.84 -0.53 -5.04 114.94 114.38 1sx5 s ASN 116 Ca 0.04 -0.48 0.45 0.00 0.21 0.00 0.00 52.86 53.09 1sx5 s ASN 116 Cb 0.07 0.16 1.67 0.00 -0.55 0.00 0.00 41.25 42.60 1sx5 s ASN 116 CO 0.36 -0.35 1.66 -1.13 -2.79 0.00 0.00 177.10 174.85 1sx5 h ASN 117 N 8.35 0.01 0.00 -4.21 -1.24 -1.86 -2.28 115.58 114.34 1sx5 h ASN 117 Ca -0.16 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 1sx5 h ASN 117 Cb 1.13 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 1sx5 h ASN 117 CO 0.30 -0.01 -0.10 0.35 -1.29 0.00 0.00 177.43 176.69 1sx5 n THR 118 N -4.05 1.53 -3.16 -3.57 -2.24 -1.26 -0.55 114.28 100.98 1sx5 n THR 118 Ca 0.37 -1.84 -0.41 0.00 -2.27 0.00 0.00 64.05 59.91 1sx5 n THR 118 Cb 1.72 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 1sx5 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sx5 s LYS 119 N -2.33 3.98 -1.47 -0.78 2.47 -0.86 -4.30 119.74 116.45 1sx5 s LYS 119 Ca 0.26 0.33 -0.08 0.00 -1.56 0.00 0.00 55.97 54.92 1sx5 s LYS 119 Cb 0.23 -3.69 0.03 0.00 -1.46 0.00 0.00 37.83 32.93 1sx5 s LYS 119 CO 0.02 -0.48 0.81 0.09 0.16 0.00 0.00 175.35 175.96 1sx5 n ASN 120 N 5.73 -5.76 -3.94 1.43 4.13 -1.26 -2.22 115.26 113.36 1sx5 n ASN 120 Ca -0.02 -0.44 -0.10 0.00 1.68 0.00 0.00 54.58 55.70 1sx5 n ASN 120 Cb 0.49 -4.62 -0.12 0.00 -1.54 0.00 0.00 39.78 33.99 1sx5 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1sx5 s ILE 121 N -3.21 0.09 0.20 2.41 2.07 -1.26 -0.76 121.20 120.75 1sx5 s ILE 121 Ca 0.45 -0.57 -0.06 0.00 -1.41 0.00 0.00 60.65 59.05 1sx5 s ILE 121 Cb -0.21 -0.18 0.04 0.00 0.13 0.00 0.00 42.46 42.24 1sx5 s ILE 121 CO 0.55 -0.30 1.63 -0.37 -1.91 0.00 0.00 174.94 174.54 1sx5 h VAL 122 N 4.83 1.27 -3.30 4.00 -1.51 -1.37 -3.43 116.25 116.74 1sx5 h VAL 122 Ca -0.29 -1.28 -0.47 0.00 -1.23 0.00 0.00 66.70 63.44 1sx5 h VAL 122 Cb 1.21 1.07 -0.17 0.00 -2.13 0.00 0.00 31.29 31.27 1sx5 h VAL 122 CO 0.45 0.44 -0.76 -0.31 -1.23 0.00 0.00 177.57 176.15 1sx5 s TYR 123 N -4.74 1.65 0.37 5.19 2.02 -1.26 -5.10 117.35 115.47 1sx5 s TYR 123 Ca -0.10 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.81 1sx5 s TYR 123 Cb 0.13 -0.82 -0.12 0.00 -0.40 0.00 0.00 41.96 40.75 1sx5 s TYR 123 CO 0.84 0.27 1.10 -2.30 -1.57 0.00 0.00 175.55 173.90 1sx5 n PRO 124 N 0.20 1.59 -0.34 -1.71 -0.02 -1.26 -4.85 135.00 128.62 1sx5 n PRO 124 Ca -0.13 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1sx5 n PRO 124 Cb 0.58 -2.09 0.30 0.00 -0.02 0.00 0.00 33.50 32.27 1sx5 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1sx5 h PHE 125 N 1.95 1.05 0.00 6.00 3.57 -1.15 -0.97 116.94 127.38 1sx5 h PHE 125 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1sx5 h PHE 125 Cb 1.32 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1sx5 h PHE 125 CO 0.47 0.35 0.00 -0.40 -2.23 0.00 0.00 178.31 176.50 1sx5 n ASP 126 N -4.65 0.00 -0.07 0.41 5.68 -1.26 -1.91 116.55 114.75 1sx5 n ASP 126 Ca 0.20 -0.48 0.12 0.00 -0.50 0.00 0.00 54.79 54.14 1sx5 n ASP 126 Cb 0.45 -0.04 0.25 0.00 -1.14 0.00 0.00 41.12 40.64 1sx5 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sx5 n GLN 127 N -1.04 0.24 -3.65 0.11 6.02 -0.37 -4.86 117.38 113.82 1sx5 n GLN 127 Ca 0.13 -0.15 -0.36 0.00 -0.01 0.00 0.00 57.00 56.61 1sx5 n GLN 127 Cb 0.07 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 1sx5 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1sx5 s TYR 128 N -2.86 3.49 -1.56 1.08 1.51 -0.80 -1.24 117.35 116.97 1sx5 s TYR 128 Ca 0.14 0.52 0.19 0.00 -1.01 0.00 0.00 57.07 56.91 1sx5 s TYR 128 Cb 0.18 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1sx5 s TYR 128 CO 0.66 0.37 0.92 0.44 -1.11 0.00 0.00 175.55 176.83 1sx5 n ILE 129 N 3.17 0.00 -3.74 2.71 -6.64 0.10 -4.85 119.36 110.11 1sx5 n ILE 129 Ca -0.15 -0.26 -0.14 0.00 -1.77 0.00 0.00 62.75 60.44 1sx5 n ILE 129 Cb 0.52 1.18 -0.09 0.00 -1.44 0.00 0.00 39.64 39.81 1sx5 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1sx5 s ALA 130 N -2.27 -0.89 -0.17 -1.28 0.00 -1.21 -5.05 121.76 110.89 1sx5 s ALA 130 Ca 0.14 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1sx5 s ALA 130 Cb 0.15 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1sx5 s ALA 130 CO 0.53 -0.25 0.02 -1.01 0.00 0.00 0.00 175.76 175.06 1sx5 s HIS 131 N -0.90 1.02 0.06 0.00 3.76 -1.26 -1.20 115.29 116.78 1sx5 s HIS 131 Ca -0.10 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.13 1sx5 s HIS 131 Cb -0.04 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1sx5 s HIS 131 CO 0.04 -0.55 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.72 1sx5 s TRP 132 N 1.86 2.83 -0.14 1.40 0.51 0.15 -1.32 118.94 124.23 1sx5 s TRP 132 Ca 0.00 -0.10 0.01 0.00 -2.12 0.00 0.00 56.10 53.90 1sx5 s TRP 132 Cb -0.16 -1.51 -0.01 0.00 -0.81 0.00 0.00 33.47 30.98 1sx5 s TRP 132 CO -0.07 0.41 -0.16 0.42 -0.51 0.00 0.00 176.95 177.04 1sx5 s ILE 133 N -1.15 2.68 -0.38 2.03 -1.09 0.56 -1.13 121.20 122.73 1sx5 s ILE 133 Ca 0.20 -0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 57.70 1sx5 s ILE 133 Cb -0.11 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1sx5 s ILE 133 CO 0.12 0.52 0.28 -0.63 -1.23 0.00 0.00 174.94 174.00 1sx5 s ILE 134 N 0.61 5.27 -0.17 2.92 1.01 -0.52 -1.22 121.20 129.11 1sx5 s ILE 134 Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1sx5 s ILE 134 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1sx5 s ILE 134 CO 0.03 -0.20 0.05 -0.83 0.00 0.00 0.00 174.94 173.99 1sx5 s GLY 135 N 1.70 1.90 -0.10 6.18 0.00 -0.27 -0.86 107.32 115.86 1sx5 s GLY 135 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1sx5 s GLY 135 CO 0.10 -0.04 -0.13 -0.19 0.00 0.00 0.00 173.10 172.84 1sx5 s TYR 136 N 0.16 2.78 -0.00 1.90 1.51 -0.15 -0.97 117.35 122.58 1sx5 s TYR 136 Ca 0.04 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1sx5 s TYR 136 Cb -0.12 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1sx5 s TYR 136 CO 0.01 -0.04 -0.17 0.08 -1.11 0.00 0.00 175.55 174.32 1sx5 s VAL 137 N -0.09 1.34 0.05 0.71 1.01 -0.44 -1.57 120.40 121.41 1sx5 s VAL 137 Ca -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1sx5 s VAL 137 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1sx5 s VAL 137 CO 0.04 0.33 -0.01 -0.72 0.00 0.00 0.00 175.10 174.74 1sx5 s TYR 138 N -0.47 0.43 -0.17 5.22 1.13 -1.09 -1.12 117.35 121.28 1sx5 s TYR 138 Ca 0.06 -0.91 -0.11 0.00 -1.41 0.00 0.00 57.07 54.70 1sx5 s TYR 138 Cb -0.07 -0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.43 1sx5 s TYR 138 CO -0.00 -0.36 0.21 0.99 -2.51 0.00 0.00 175.55 173.88 1sx5 s THR 139 N -3.43 5.36 0.50 -3.49 2.01 0.63 -1.06 115.64 116.16 1sx5 s THR 139 Ca 0.02 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1sx5 s THR 139 Cb 0.04 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1sx5 s THR 139 CO -0.08 0.44 1.31 0.00 -0.69 0.00 0.00 174.62 175.60 1sx5 s ARG 140 N 0.23 3.46 -0.06 4.92 3.03 -0.63 -1.77 118.95 128.13 1sx5 s ARG 140 Ca 0.13 2.14 -0.02 0.00 2.03 0.00 0.00 55.73 60.00 1sx5 s ARG 140 Cb -0.12 -2.41 0.03 0.00 -1.03 0.00 0.00 34.95 31.42 1sx5 s ARG 140 CO 0.02 -0.90 0.05 0.08 -1.13 0.00 0.00 175.30 173.41 1sx5 s VAL 141 N -1.34 0.02 0.43 4.99 1.01 -1.15 -4.80 120.40 119.55 1sx5 s VAL 141 Ca 0.66 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.69 1sx5 s VAL 141 Cb -0.38 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1sx5 s VAL 141 CO 0.46 0.17 1.40 0.00 0.00 0.00 0.00 175.10 177.13 1sx5 n ALA 142 N 5.26 1.92 -1.76 5.51 0.00 -1.26 -4.36 120.51 125.81 1sx5 n ALA 142 Ca -0.04 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 1sx5 n ALA 142 Cb 0.50 -2.37 0.02 0.00 0.00 0.00 0.00 19.45 17.60 1sx5 n ALA 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1sx5 s THR 143 N -1.18 2.44 0.24 0.00 2.01 -1.26 -4.92 115.64 112.97 1sx5 s THR 143 Ca 0.60 0.34 0.08 0.00 0.31 0.00 0.00 61.69 63.01 1sx5 s THR 143 Cb -0.47 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1sx5 s THR 143 CO 0.59 0.00 0.10 0.00 -0.69 0.00 0.00 174.62 174.62 1sx5 s ARG 144 N -2.78 2.64 -0.93 4.92 1.70 -1.26 -5.01 118.95 118.23 1sx5 s ARG 144 Ca 0.68 -1.17 -0.08 0.00 -0.47 0.00 0.00 55.73 54.69 1sx5 s ARG 144 Cb -0.37 -2.41 -0.15 0.00 -0.57 0.00 0.00 34.95 31.46 1sx5 s ARG 144 CO 0.44 0.40 3.21 1.63 -1.08 0.00 0.00 175.30 179.90 1sx5 n LYS 145 N -0.87 3.01 0.00 3.89 4.01 -1.26 -0.90 118.16 126.04 1sx5 n LYS 145 Ca -0.08 -1.76 0.00 0.00 -0.51 0.00 0.00 58.31 55.96 1sx5 n LYS 145 Cb 0.58 -2.45 0.00 0.00 -0.51 0.00 0.00 35.03 32.64 1sx5 n LYS 145 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1sx5 n SER 146 N 3.00 0.00 0.16 4.39 3.41 -1.26 -4.79 113.62 118.53 1sx5 n SER 146 Ca 0.63 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1sx5 n SER 146 Cb 0.52 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.69 1sx5 n SER 146 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sx5 h SER 147 N 0.00 0.00 -0.33 4.04 0.02 -1.39 -3.33 113.55 112.56 1sx5 h SER 147 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1sx5 h SER 147 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1sx5 h SER 147 CO 0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 1sx5 n LEU 148 N -2.73 3.13 -4.54 5.07 4.77 -1.26 -4.40 117.00 117.04 1sx5 n LEU 148 Ca 0.04 -1.58 -0.25 0.00 -0.03 0.00 0.00 56.01 54.19 1sx5 n LEU 148 Cb 0.50 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1sx5 n LEU 148 CO 0.34 0.47 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.78 1sx5 s LYS 149 N -1.81 1.80 0.40 3.23 2.47 -1.25 -5.10 119.74 119.48 1sx5 s LYS 149 Ca 0.28 -1.97 0.02 0.00 -1.56 0.00 0.00 55.97 52.75 1sx5 s LYS 149 Cb 0.20 -1.50 -0.01 0.00 -1.46 0.00 0.00 37.83 35.06 1sx5 s LYS 149 CO 0.11 0.03 0.59 0.95 0.16 0.00 0.00 175.35 177.19 1sx5 s THR 150 N -2.78 4.14 0.20 3.43 -4.23 -1.26 -4.35 115.64 110.79 1sx5 s THR 150 Ca 0.33 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1sx5 s THR 150 Cb 0.06 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1sx5 s THR 150 CO 0.16 -0.30 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.58 1sx5 s TYR 151 N -2.41 1.49 0.38 3.99 1.51 -0.26 -4.96 117.35 117.08 1sx5 s TYR 151 Ca 0.46 -0.83 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1sx5 s TYR 151 Cb -0.10 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1sx5 s TYR 151 CO 0.35 0.05 0.33 0.54 -1.11 0.00 0.00 175.55 175.71 1sx5 s ASN 152 N -3.26 5.13 0.42 2.29 4.22 -1.26 -0.48 114.94 121.99 1sx5 s ASN 152 Ca 0.24 -0.64 0.11 0.00 -2.14 0.00 0.00 52.86 50.43 1sx5 s ASN 152 Cb 0.04 -0.75 0.96 0.00 1.28 0.00 0.00 41.25 42.77 1sx5 s ASN 152 CO 0.06 -0.50 2.02 0.40 -2.04 0.00 0.00 177.10 177.03 1sx5 h ILE 153 N 1.15 0.99 0.00 0.54 2.04 -1.98 -1.18 117.51 119.08 1sx5 h ILE 153 Ca -0.43 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1sx5 h ILE 153 Cb 1.26 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1sx5 h ILE 153 CO 0.58 0.09 0.00 -0.46 0.00 0.00 0.00 178.15 178.36 1sx5 n ASN 154 N -4.47 0.00 -0.38 1.72 0.23 -1.26 -1.94 115.26 109.16 1sx5 n ASN 154 Ca 0.07 -0.11 0.04 0.00 -0.53 0.00 0.00 54.58 54.04 1sx5 n ASN 154 Cb 0.23 -0.16 0.08 0.00 -2.08 0.00 0.00 39.78 37.85 1sx5 n ASN 154 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1sx5 n GLU 155 N -1.16 2.30 -0.27 -3.83 1.02 -0.45 -4.84 120.64 113.41 1sx5 n GLU 155 Ca 0.07 -1.65 -0.04 0.00 -0.02 0.00 0.00 57.16 55.53 1sx5 n GLU 155 Cb 0.08 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 1sx5 n GLU 155 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sx5 n LEU 156 N 0.19 -0.56 -0.54 -4.62 4.77 -0.82 0.28 117.00 115.72 1sx5 n LEU 156 Ca 0.07 1.18 0.03 0.00 -0.03 0.00 0.00 56.01 57.26 1sx5 n LEU 156 Cb 0.32 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1sx5 n LEU 156 CO 0.05 -1.02 0.52 -0.46 -1.33 0.00 0.00 177.39 175.15 1sx5 n ASN 157 N -4.92 1.46 -0.89 -1.43 6.94 -1.26 -2.88 115.26 112.28 1sx5 n ASN 157 Ca 0.04 -2.08 0.10 0.00 -0.02 0.00 0.00 54.58 52.62 1sx5 n ASN 157 Cb 0.23 -0.27 0.12 0.00 -2.36 0.00 0.00 39.78 37.50 1sx5 n ASN 157 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1sx5 n GLU 158 N 0.11 2.02 -2.72 -3.83 1.02 0.14 -4.95 120.64 112.42 1sx5 n GLU 158 Ca 0.07 -1.87 -0.42 0.00 -0.02 0.00 0.00 57.16 54.91 1sx5 n GLU 158 Cb 0.28 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1sx5 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sx5 s ILE 159 N -1.56 4.79 0.47 -3.67 1.01 -1.14 -5.02 121.20 116.09 1sx5 s ILE 159 Ca 0.28 1.98 -0.22 0.00 0.00 0.00 0.00 60.65 62.68 1sx5 s ILE 159 Cb 0.18 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1sx5 s ILE 159 CO 0.26 -0.00 1.17 -2.16 0.00 0.00 0.00 174.94 174.21 1sx5 s PRO 160 N 2.10 3.68 0.03 2.79 0.04 -1.26 -5.04 135.00 137.34 1sx5 s PRO 160 Ca 0.46 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.35 1sx5 s PRO 160 Cb -0.18 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1sx5 s PRO 160 CO 0.16 -0.62 -0.18 0.15 0.04 0.00 0.00 177.00 176.56 1sx5 s LYS 161 N -2.77 2.11 -0.22 4.56 1.02 -1.26 -4.66 119.74 118.52 1sx5 s LYS 161 Ca 0.65 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.70 1sx5 s LYS 161 Cb -0.29 -2.20 0.32 0.00 -0.52 0.00 0.00 37.83 35.15 1sx5 s LYS 161 CO 0.34 0.55 1.45 -0.35 -0.92 0.00 0.00 175.35 176.42 1sx5 n PRO 162 N 1.65 1.60 -3.73 -1.68 -0.04 -1.26 -4.86 135.00 126.68 1sx5 n PRO 162 Ca -0.16 -1.45 -0.09 0.00 -0.04 0.00 0.00 63.50 61.77 1sx5 n PRO 162 Cb 0.52 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1sx5 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1sx5 s TYR 163 N -1.59 -0.28 0.25 0.54 -0.85 -1.26 -2.94 117.35 111.23 1sx5 s TYR 163 Ca 0.27 -0.10 -0.20 0.00 -0.52 0.00 0.00 57.07 56.52 1sx5 s TYR 163 Cb 0.23 0.65 0.03 0.00 0.38 0.00 0.00 41.96 43.24 1sx5 s TYR 163 CO 0.05 -1.11 0.66 -1.59 -1.52 0.00 0.00 175.55 172.04 1sx5 s LYS 164 N -3.87 1.66 -1.26 -3.49 -2.85 -0.73 -4.87 119.74 104.33 1sx5 s LYS 164 Ca 0.08 -0.93 -0.08 0.00 -1.00 0.00 0.00 55.97 54.04 1sx5 s LYS 164 Cb -0.04 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 1sx5 s LYS 164 CO 0.01 -0.74 1.07 0.41 0.10 0.00 0.00 175.35 176.20 1sx5 n GLY 165 N -0.43 -0.43 3.75 0.59 0.00 -1.26 -0.27 105.19 107.14 1sx5 n GLY 165 Ca -0.06 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1sx5 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx5 s VAL 166 N -3.29 3.15 0.09 1.61 1.01 -1.26 -4.22 120.40 117.49 1sx5 s VAL 166 Ca 0.53 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1sx5 s VAL 166 Cb -0.23 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1sx5 s VAL 166 CO 0.66 0.20 -0.14 -0.54 0.00 0.00 0.00 175.10 175.28 1sx5 s LYS 167 N -0.80 0.87 0.01 2.72 1.02 -0.27 -4.98 119.74 118.31 1sx5 s LYS 167 Ca 0.52 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1sx5 s LYS 167 Cb -0.36 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.11 1sx5 s LYS 167 CO 0.43 0.17 -0.05 0.54 -0.92 0.00 0.00 175.35 175.52 1sx5 s VAL 168 N -1.59 0.37 0.18 3.17 0.11 -1.26 -1.33 120.40 120.04 1sx5 s VAL 168 Ca 0.01 -0.54 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1sx5 s VAL 168 Cb -0.08 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1sx5 s VAL 168 CO 0.02 -0.12 0.07 0.72 -3.33 0.00 0.00 175.10 172.46 1sx5 s PHE 169 N -0.65 1.11 -0.07 1.54 -0.12 -0.14 -4.93 117.98 114.71 1sx5 s PHE 169 Ca -0.04 -1.23 -0.01 0.00 -0.05 0.00 0.00 56.93 55.59 1sx5 s PHE 169 Cb -0.05 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.77 1sx5 s PHE 169 CO -0.00 -0.48 0.00 -1.17 -0.05 0.00 0.00 175.22 173.53 1sx5 s LEU 170 N -3.14 0.59 0.06 -1.99 0.20 -1.26 -1.12 118.68 112.02 1sx5 s LEU 170 Ca 0.30 -0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.92 1sx5 s LEU 170 Cb 0.07 -0.44 0.01 0.00 -0.43 0.00 0.00 46.19 45.40 1sx5 s LEU 170 CO 0.07 -0.20 0.24 -1.58 -0.29 0.00 0.00 176.35 174.59 1sx5 s GLN 171 N 1.97 0.78 0.37 1.98 2.00 -0.35 -4.97 119.66 121.44 1sx5 s GLN 171 Ca 0.05 -0.67 -0.27 0.00 -2.00 0.00 0.00 55.36 52.46 1sx5 s GLN 171 Cb -0.12 0.33 -0.10 0.00 0.80 0.00 0.00 33.01 33.92 1sx5 s GLN 171 CO -0.05 -0.24 1.33 -0.51 -0.50 0.00 0.00 175.29 175.32 1sx5 s ASP 172 N -2.29 6.51 0.22 6.67 1.01 -1.26 -0.32 116.67 127.21 1sx5 s ASP 172 Ca -0.02 2.73 -0.09 0.00 0.71 0.00 0.00 52.55 55.88 1sx5 s ASP 172 Cb 0.01 -2.65 0.22 0.00 1.01 0.00 0.00 42.92 41.50 1sx5 s ASP 172 CO -0.06 -0.72 1.87 0.50 0.21 0.00 0.00 175.17 176.97 1sx5 h LYS 173 N 3.03 0.97 -0.13 8.23 3.64 -1.52 -2.15 116.57 128.63 1sx5 h LYS 173 Ca -0.49 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.74 1sx5 h LYS 173 Cb 1.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1sx5 h LYS 173 CO 0.64 0.64 -0.30 0.11 -2.27 0.00 0.00 179.45 178.27 1sx5 h TRP 174 N 1.00 0.29 -0.28 1.91 5.08 -1.91 -1.20 115.95 120.84 1sx5 h TRP 174 Ca 0.31 -0.06 -0.11 0.00 1.08 0.00 0.00 58.89 60.10 1sx5 h TRP 174 Cb -0.02 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.06 1sx5 h TRP 174 CO -0.03 0.54 -0.31 0.28 -1.28 0.00 0.00 178.44 177.65 1sx5 h VAL 175 N 0.23 1.28 -0.07 0.12 2.07 -1.77 -3.04 116.25 115.07 1sx5 h VAL 175 Ca 0.03 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1sx5 h VAL 175 Cb 0.66 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1sx5 h VAL 175 CO 0.05 0.45 0.00 2.30 0.02 0.00 0.00 177.57 180.39 1sx5 n ILE 176 N -4.08 0.05 -2.14 4.57 -5.35 -1.06 -3.50 119.36 107.85 1sx5 n ILE 176 Ca -0.01 -0.51 -0.39 0.00 -0.27 0.00 0.00 62.75 61.57 1sx5 n ILE 176 Cb 0.46 1.40 -0.01 0.00 -1.74 0.00 0.00 39.64 39.75 1sx5 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sx5 s ALA 177 N -1.95 3.24 0.00 -1.28 0.00 -0.48 -1.22 121.76 120.07 1sx5 s ALA 177 Ca 0.30 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1sx5 s ALA 177 Cb 0.20 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1sx5 s ALA 177 CO 0.30 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1sx5 n GLY 178 N 0.68 2.95 0.20 0.00 0.00 0.44 -3.96 105.19 105.51 1sx5 n GLY 178 Ca 0.04 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.97 1sx5 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sx5 n ASP 179 N -1.40 1.74 -4.37 1.61 5.75 -1.26 -4.75 116.55 113.88 1sx5 n ASP 179 Ca 0.00 -1.50 -0.32 0.00 -0.01 0.00 0.00 54.79 52.97 1sx5 n ASP 179 Cb 0.00 -0.03 -0.15 0.00 -1.03 0.00 0.00 41.12 39.91 1sx5 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1sx5 s LEU 180 N -0.60 2.30 0.65 -2.12 1.43 -1.26 -4.51 118.68 114.57 1sx5 s LEU 180 Ca 0.06 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1sx5 s LEU 180 Cb 0.04 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 1sx5 s LEU 180 CO 0.06 0.32 0.66 0.00 0.23 0.00 0.00 176.35 177.62 1sx5 n ALA 181 N 2.45 -0.92 0.16 4.21 0.00 -1.26 -2.73 120.51 122.41 1sx5 n ALA 181 Ca -0.17 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1sx5 n ALA 181 Cb 0.51 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1sx5 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx5 n GLY 182 N 1.56 -1.31 3.43 0.00 0.00 0.30 -4.47 105.19 104.70 1sx5 n GLY 182 Ca 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1sx5 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sx5 s SER 183 N -4.90 -0.55 0.00 1.61 1.04 -1.22 -4.87 113.70 104.81 1sx5 s SER 183 Ca -0.02 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1sx5 s SER 183 Cb 0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1sx5 s SER 183 CO 0.82 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1sx5 n GLY 184 N -0.36 0.04 0.31 7.32 0.00 -1.26 -3.14 105.19 108.10 1sx5 n GLY 184 Ca -0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1sx5 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sx5 h ASN 185 N 0.00 0.00 -0.33 1.61 7.08 -2.00 -0.76 115.58 121.17 1sx5 h ASN 185 Ca 0.00 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.10 1sx5 h ASN 185 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.17 1sx5 h ASN 185 CO 0.00 0.02 -0.02 0.35 -2.08 0.00 0.00 177.43 175.70 1sx5 n THR 186 N -3.34 2.46 -3.57 6.14 -2.24 -1.26 -5.02 114.28 107.45 1sx5 n THR 186 Ca -0.02 -2.38 -0.17 0.00 -2.27 0.00 0.00 64.05 59.20 1sx5 n THR 186 Cb 0.12 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1sx5 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sx5 n THR 187 N -0.91 -1.24 -3.61 4.28 -2.24 -0.29 -4.70 114.28 105.57 1sx5 n THR 187 Ca 0.29 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.57 1sx5 n THR 187 Cb 1.00 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 1sx5 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1sx5 s ASN 188 N -3.61 6.62 0.35 3.42 0.02 -1.19 -1.33 114.94 119.23 1sx5 s ASN 188 Ca 0.13 0.75 -0.28 0.00 -1.02 0.00 0.00 52.86 52.45 1sx5 s ASN 188 Cb -0.07 -2.16 -0.10 0.00 0.02 0.00 0.00 41.25 38.93 1sx5 s ASN 188 CO 0.41 0.20 1.33 -0.63 0.02 0.00 0.00 177.10 178.44 1sx5 s ILE 189 N -1.36 2.60 -0.11 0.60 1.01 0.58 0.11 121.20 124.63 1sx5 s ILE 189 Ca 0.31 0.59 -0.05 0.00 0.00 0.00 0.00 60.65 61.51 1sx5 s ILE 189 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1sx5 s ILE 189 CO 0.17 0.13 0.08 -0.83 0.00 0.00 0.00 174.94 174.49 1sx5 s GLY 190 N -0.47 2.02 0.90 6.18 0.00 -1.11 -0.61 107.32 114.23 1sx5 s GLY 190 Ca 0.51 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 1sx5 s GLY 190 CO 0.54 -0.46 1.23 -1.35 0.00 0.00 0.00 173.10 173.06 1sx5 s SER 191 N -0.95 3.45 0.94 1.64 1.04 -0.66 -0.42 113.70 118.74 1sx5 s SER 191 Ca 0.14 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1sx5 s SER 191 Cb -0.12 -0.21 0.16 0.00 0.10 0.00 0.00 66.02 65.95 1sx5 s SER 191 CO 0.03 -2.50 1.11 0.27 0.98 0.00 0.00 173.24 173.13 1sx5 s ILE 192 N -3.68 2.30 -0.32 -1.02 -4.36 -0.36 -4.01 121.20 109.75 1sx5 s ILE 192 Ca 0.72 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.21 1sx5 s ILE 192 Cb -0.04 -2.25 0.08 0.00 1.25 0.00 0.00 42.46 41.50 1sx5 s ILE 192 CO 0.51 -0.13 0.03 -2.28 0.24 0.00 0.00 174.94 173.31 1sx5 s HIS 193 N -2.68 3.44 0.37 1.37 5.65 -1.26 -4.37 115.29 117.81 1sx5 s HIS 193 Ca 0.66 -2.33 -0.14 0.00 0.25 0.00 0.00 55.06 53.50 1sx5 s HIS 193 Cb -0.22 -2.48 0.06 0.00 -1.18 0.00 0.00 32.58 28.75 1sx5 s HIS 193 CO 0.59 -0.89 0.74 0.00 -0.65 0.00 0.00 174.74 174.53 1sx5 n ALA 194 N 4.49 -1.66 -1.80 1.58 0.00 -0.45 -4.86 120.51 117.81 1sx5 n ALA 194 Ca -0.07 -1.19 -0.33 0.00 0.00 0.00 0.00 53.44 51.85 1sx5 n ALA 194 Cb 0.42 0.94 -0.04 0.00 0.00 0.00 0.00 19.45 20.77 1sx5 n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sx5 s HIS 195 N -2.61 3.24 0.28 0.00 3.76 -1.26 -0.18 115.29 118.52 1sx5 s HIS 195 Ca 0.15 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.63 1sx5 s HIS 195 Cb -0.05 -2.90 0.68 0.00 1.11 0.00 0.00 32.58 31.43 1sx5 s HIS 195 CO 0.11 -0.44 1.68 -0.92 -0.85 0.00 0.00 174.74 174.32 1sx5 h TYR 196 N 1.43 0.50 0.00 1.40 3.20 -1.89 0.14 116.97 121.76 1sx5 h TYR 196 Ca -0.48 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 1sx5 h TYR 196 Cb 1.19 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1sx5 h TYR 196 CO 0.61 -0.10 -0.06 1.57 -1.64 0.00 0.00 178.16 178.54 1sx5 h LYS 197 N 0.32 0.00 -0.13 1.82 -0.00 -1.99 -1.44 116.57 115.15 1sx5 h LYS 197 Ca 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 61.07 1sx5 h LYS 197 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.24 1sx5 h LYS 197 CO -0.56 0.06 -0.43 -0.44 -0.00 0.00 0.00 179.45 178.07 1sx5 h ASP 198 N 0.00 0.31 -0.05 7.07 3.32 -1.08 0.35 116.42 126.35 1sx5 h ASP 198 Ca -0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1sx5 h ASP 198 Cb 0.11 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1sx5 h ASP 198 CO 0.01 0.71 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.95 1sx5 h PHE 199 N 0.24 0.11 -0.43 4.55 -1.00 -1.19 -0.70 116.94 118.54 1sx5 h PHE 199 Ca 0.02 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1sx5 h PHE 199 Cb 0.87 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.35 1sx5 h PHE 199 CO 0.02 0.50 0.11 0.28 -1.61 0.00 0.00 178.31 177.62 1sx5 h VAL 200 N -0.31 0.82 0.00 -0.55 2.07 -1.09 -2.40 116.25 114.79 1sx5 h VAL 200 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sx5 h VAL 200 Cb 0.48 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1sx5 h VAL 200 CO 0.01 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.02 1sx5 n GLU 201 N -5.06 0.19 -2.78 1.57 1.02 0.09 -4.93 120.64 110.73 1sx5 n GLU 201 Ca 0.03 0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1sx5 n GLU 201 Cb 0.18 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.85 1sx5 n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx5 n GLY 202 N 0.74 0.41 2.87 0.62 0.00 -0.58 -4.96 105.19 104.29 1sx5 n GLY 202 Ca 0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1sx5 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sx5 n LYS 203 N -1.98 3.43 -0.16 1.61 5.02 -0.37 -4.92 118.16 120.80 1sx5 n LYS 203 Ca -0.01 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.96 1sx5 n LYS 203 Cb 0.53 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1sx5 n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sx5 n GLY 204 N 3.19 1.66 0.03 0.72 0.00 -1.23 -4.91 105.19 104.65 1sx5 n GLY 204 Ca 0.43 -2.02 0.01 0.00 0.00 0.00 0.00 46.02 44.44 1sx5 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sx5 n ILE 205 N -0.19 0.38 -2.73 -0.61 -6.64 -1.25 -5.01 119.36 103.30 1sx5 n ILE 205 Ca 0.00 -0.38 -0.36 0.00 -1.77 0.00 0.00 62.75 60.24 1sx5 n ILE 205 Cb 0.00 -0.22 -0.06 0.00 -1.44 0.00 0.00 39.64 37.92 1sx5 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1sx5 s PHE 206 N -2.59 3.51 -0.33 4.28 0.08 -1.26 -4.98 117.98 116.70 1sx5 s PHE 206 Ca -0.05 1.71 0.22 0.00 0.12 0.00 0.00 56.93 58.94 1sx5 s PHE 206 Cb 0.06 -2.95 0.16 0.00 -0.57 0.00 0.00 43.02 39.71 1sx5 s PHE 206 CO 0.50 -0.05 1.32 -0.44 -0.10 0.00 0.00 175.22 176.44 1sx5 h ASP 207 N 2.75 0.00 -5.07 1.36 3.32 -1.95 -3.48 116.42 113.35 1sx5 h ASP 207 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1sx5 h ASP 207 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1sx5 h ASP 207 CO 0.63 0.03 0.05 -0.94 -1.72 0.00 0.00 179.24 177.29 1sx5 s SER 208 N -5.80 -0.30 0.26 6.45 1.04 -1.26 -5.02 113.70 109.06 1sx5 s SER 208 Ca 0.03 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1sx5 s SER 208 Cb 0.07 0.57 0.34 0.00 0.10 0.00 0.00 66.02 67.11 1sx5 s SER 208 CO 0.73 -1.02 1.71 -0.08 0.98 0.00 0.00 173.24 175.57 1sx5 h GLU 209 N 2.19 0.62 -0.74 4.02 4.81 -1.93 -2.09 114.58 121.46 1sx5 h GLU 209 Ca -0.30 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1sx5 h GLU 209 Cb 1.27 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1sx5 h GLU 209 CO 0.39 0.77 0.41 -0.44 -0.73 0.00 0.00 179.01 179.41 1sx5 h ASP 210 N 0.55 0.91 -0.35 1.04 3.45 -1.99 -0.39 116.42 119.64 1sx5 h ASP 210 Ca 0.09 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 1sx5 h ASP 210 Cb 0.63 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1sx5 h ASP 210 CO 0.04 0.73 -0.09 -0.08 -1.57 0.00 0.00 179.24 178.27 1sx5 h GLU 211 N 1.03 0.68 -0.39 3.56 4.81 -1.82 -0.53 114.58 121.92 1sx5 h GLU 211 Ca 0.26 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1sx5 h GLU 211 Cb 0.01 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1sx5 h GLU 211 CO -0.04 0.85 0.14 0.35 -0.73 0.00 0.00 179.01 179.57 1sx5 h PHE 212 N 0.48 0.25 -0.48 0.92 3.57 -1.13 -0.21 116.94 120.33 1sx5 h PHE 212 Ca 0.09 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1sx5 h PHE 212 Cb 0.60 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1sx5 h PHE 212 CO 0.05 0.10 0.06 -0.07 -2.23 0.00 0.00 178.31 176.23 1sx5 h LEU 213 N 0.30 0.77 -0.59 0.59 3.38 -0.90 -1.36 115.31 117.51 1sx5 h LEU 213 Ca 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1sx5 h LEU 213 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1sx5 h LEU 213 CO -0.18 0.85 0.23 -0.78 0.09 0.00 0.00 178.44 178.66 1sx5 h ASP 214 N 0.67 0.81 0.37 -0.43 3.58 -0.84 0.12 116.42 120.70 1sx5 h ASP 214 Ca 0.14 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1sx5 h ASP 214 Cb 0.41 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1sx5 h ASP 214 CO 0.01 0.76 -0.25 0.22 -2.88 0.00 0.00 179.24 177.11 1sx5 h TYR 215 N 0.81 -0.65 0.00 0.28 5.03 -0.97 -2.26 116.97 119.21 1sx5 h TYR 215 Ca 0.19 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1sx5 h TYR 215 Cb 0.21 0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1sx5 h TYR 215 CO 0.01 -0.38 0.00 -1.49 -1.32 0.00 0.00 178.16 174.98 1sx5 h TRP 216 N -0.60 0.00 0.00 -3.82 4.06 -1.09 -1.69 115.95 112.80 1sx5 h TRP 216 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1sx5 h TRP 216 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1sx5 h TRP 216 CO -0.11 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.77 1sx5 h ARG 217 N 0.00 0.00 0.00 0.49 3.08 -0.79 -3.29 114.38 113.88 1sx5 h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sx5 h ARG 217 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1sx5 h ARG 217 CO 0.00 0.00 -0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1sx5 n ASN 218 N -2.91 2.10 -4.68 7.04 3.02 -0.87 -5.00 115.26 113.97 1sx5 n ASN 218 Ca 0.04 -2.39 -0.42 0.00 -0.03 0.00 0.00 54.58 51.77 1sx5 n ASN 218 Cb 0.49 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1sx5 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sx5 s TYR 219 N -1.68 3.49 0.58 3.10 5.04 -0.66 -4.94 117.35 122.28 1sx5 s TYR 219 Ca 0.12 1.56 -0.13 0.00 -2.44 0.00 0.00 57.07 56.18 1sx5 s TYR 219 Cb 0.10 -3.18 -0.05 0.00 0.35 0.00 0.00 41.96 39.18 1sx5 s TYR 219 CO 0.01 -0.25 1.02 -1.21 -1.34 0.00 0.00 175.55 173.78 1sx5 s GLU 220 N 2.13 3.71 0.39 4.97 0.41 -1.26 -4.99 118.70 124.06 1sx5 s GLU 220 Ca 0.47 0.83 0.21 0.00 -0.41 0.00 0.00 54.97 56.07 1sx5 s GLU 220 Cb -0.18 -2.10 0.67 0.00 -1.78 0.00 0.00 34.13 30.75 1sx5 s GLU 220 CO 0.16 -0.47 1.72 0.00 -0.49 0.00 0.00 175.26 176.18 1sx5 h ARG 221 N 0.11 0.00 -4.84 1.61 3.08 -1.96 -3.44 114.38 108.94 1sx5 h ARG 221 Ca -0.45 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.30 1sx5 h ARG 221 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.09 1sx5 h ARG 221 CO 0.62 0.31 -0.66 0.95 -1.07 0.00 0.00 179.97 180.12 1sx5 s THR 222 N -3.50 0.73 0.33 2.04 -4.23 -1.26 -5.00 115.64 104.75 1sx5 s THR 222 Ca 0.01 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1sx5 s THR 222 Cb 0.10 -2.15 0.27 0.00 1.34 0.00 0.00 72.50 72.06 1sx5 s THR 222 CO 0.67 -0.45 1.98 0.28 -0.54 0.00 0.00 174.62 176.56 1sx5 h SER 223 N 2.66 0.79 0.15 3.99 0.02 -1.96 0.10 113.55 119.30 1sx5 h SER 223 Ca -0.37 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1sx5 h SER 223 Cb 1.21 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1sx5 h SER 223 CO 0.63 0.55 -0.07 1.56 -1.14 0.00 0.00 176.83 178.36 1sx5 h GLN 224 N 0.92 -0.19 0.00 3.45 7.50 -1.98 -0.35 115.11 124.46 1sx5 h GLN 224 Ca 0.28 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.44 1sx5 h GLN 224 Cb -0.01 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1sx5 h GLN 224 CO -0.07 -0.01 0.00 -0.07 -1.50 0.00 0.00 178.83 177.17 1sx5 h LEU 225 N -0.33 0.00 -1.10 1.46 3.38 -1.81 -2.38 115.31 114.53 1sx5 h LEU 225 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sx5 h LEU 225 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sx5 h LEU 225 CO 0.03 0.00 -0.40 0.54 0.09 0.00 0.00 178.44 178.70 1sx5 n ARG 226 N -3.00 1.35 -0.17 1.13 1.74 -0.03 -4.59 116.66 113.08 1sx5 n ARG 226 Ca -0.01 -1.10 -0.03 0.00 -0.77 0.00 0.00 57.85 55.94 1sx5 n ARG 226 Cb 0.20 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.23 1sx5 n ARG 226 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1sx5 h ASN 227 N 2.69 0.30 -0.97 0.55 -0.26 -0.51 -2.40 115.58 114.97 1sx5 h ASN 227 Ca 0.00 0.05 -0.51 0.00 -0.56 0.00 0.00 56.30 55.27 1sx5 h ASN 227 Cb 0.78 -0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 37.74 1sx5 h ASN 227 CO 0.00 0.20 0.65 -0.90 -1.06 0.00 0.00 177.43 176.32 1sx5 n ASP 228 N -4.93 3.89 0.00 5.81 3.85 -1.26 -4.76 116.55 119.14 1sx5 n ASP 228 Ca 0.05 -3.58 0.00 0.00 -0.71 0.00 0.00 54.79 50.56 1sx5 n ASP 228 Cb 0.18 -0.84 0.00 0.00 -1.35 0.00 0.00 41.12 39.11 1sx5 n ASP 228 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1sx5 n LYS 229 N -1.10 0.00 -3.58 0.11 4.81 -0.92 -5.03 118.16 112.45 1sx5 n LYS 229 Ca 0.59 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.86 1sx5 n LYS 229 Cb 1.61 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 36.59 1sx5 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1sx5 s TYR 230 N 0.71 -0.55 0.00 5.64 -0.85 -1.14 -4.77 117.35 116.38 1sx5 s TYR 230 Ca 0.00 0.96 0.00 0.00 -0.52 0.00 0.00 57.07 57.51 1sx5 s TYR 230 Cb 0.00 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.67 1sx5 s TYR 230 CO 0.00 -0.55 0.00 0.09 -1.52 0.00 0.00 175.55 173.58 1sx5 n ASN 231 N 1.08 0.01 -3.17 -0.18 3.02 -1.26 -4.70 115.26 110.05 1sx5 n ASN 231 Ca -0.19 -0.48 -0.11 0.00 -0.03 0.00 0.00 54.58 53.77 1sx5 n ASN 231 Cb 0.57 0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 40.67 1sx5 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sx5 s ASN 232 N -0.94 0.30 0.28 6.41 2.20 -1.26 -4.73 114.94 117.20 1sx5 s ASN 232 Ca 0.00 -1.21 0.02 0.00 -0.94 0.00 0.00 52.86 50.73 1sx5 s ASN 232 Cb 0.00 0.76 0.41 0.00 -2.00 0.00 0.00 41.25 40.42 1sx5 s ASN 232 CO 0.00 -1.49 1.72 -0.29 -2.94 0.00 0.00 177.10 174.10 1sx5 h ILE 233 N 2.05 1.26 -0.28 0.54 6.09 -1.98 -0.72 117.51 124.48 1sx5 h ILE 233 Ca -0.29 -1.25 -0.04 0.00 -1.37 0.00 0.00 64.86 61.91 1sx5 h ILE 233 Cb 1.25 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 1sx5 h ILE 233 CO 0.38 0.40 0.03 0.28 -3.07 0.00 0.00 178.15 176.18 1sx5 h SER 234 N 0.44 0.45 -0.72 2.19 0.02 -1.99 0.20 113.55 114.14 1sx5 h SER 234 Ca 0.07 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1sx5 h SER 234 Cb 0.66 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1sx5 h SER 234 CO 0.05 0.61 0.47 -0.33 -1.14 0.00 0.00 176.83 176.49 1sx5 h GLU 235 N 0.28 0.95 -0.35 3.45 5.08 -1.87 -1.48 114.58 120.63 1sx5 h GLU 235 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1sx5 h GLU 235 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1sx5 h GLU 235 CO 0.01 0.63 0.21 -0.92 -1.00 0.00 0.00 179.01 177.93 1sx5 h TYR 236 N 0.97 0.46 -0.15 4.33 3.20 -0.87 0.55 116.97 125.45 1sx5 h TYR 236 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1sx5 h TYR 236 Cb -0.11 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1sx5 h TYR 236 CO -0.02 0.34 -0.16 0.00 -1.64 0.00 0.00 178.16 176.67 1sx5 h ARG 237 N 0.45 0.25 -0.19 1.82 3.08 -0.69 0.15 114.38 119.25 1sx5 h ARG 237 Ca 0.12 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1sx5 h ARG 237 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1sx5 h ARG 237 CO -0.02 0.41 -0.07 -0.97 -1.07 0.00 0.00 179.97 178.25 1sx5 h ASN 238 N 0.23 0.39 -1.01 7.04 -0.00 -0.95 -0.76 115.58 120.52 1sx5 h ASN 238 Ca 0.05 -0.39 0.04 0.00 -0.00 0.00 0.00 56.30 55.99 1sx5 h ASN 238 Cb 0.43 -0.11 -0.06 0.00 -0.00 0.00 0.00 38.32 38.58 1sx5 h ASN 238 CO 0.03 0.69 0.66 -0.25 -0.00 0.00 0.00 177.43 178.56 1sx5 h TRP 239 N 0.08 1.24 -0.31 0.67 7.01 -0.05 -1.48 115.95 123.10 1sx5 h TRP 239 Ca 0.04 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1sx5 h TRP 239 Cb 0.54 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1sx5 h TRP 239 CO 0.06 0.71 0.03 0.82 -2.79 0.00 0.00 178.44 177.27 1sx5 h ILE 240 N 1.27 1.25 -0.95 2.65 1.08 -0.65 0.12 117.51 122.29 1sx5 h ILE 240 Ca 0.40 -0.88 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 1sx5 h ILE 240 Cb 0.01 1.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 1sx5 h ILE 240 CO -0.13 0.29 0.61 0.22 -0.69 0.00 0.00 178.15 178.45 1sx5 h TYR 241 N 0.35 1.10 0.00 1.37 3.20 -0.27 -1.69 116.97 121.03 1sx5 h TYR 241 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1sx5 h TYR 241 Cb 0.39 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1sx5 h TYR 241 CO 0.03 0.57 0.00 0.54 -1.64 0.00 0.00 178.16 177.66 1sx5 n ARG 242 N -4.50 0.15 0.00 1.82 1.74 -0.64 -4.92 116.66 110.32 1sx5 n ARG 242 Ca 0.15 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1sx5 n ARG 242 Cb 0.20 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1sx5 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sx5 n GLY 243 N 1.31 1.91 2.77 -0.13 0.00 -0.64 -4.62 105.19 105.80 1sx5 n GLY 243 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1sx5 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx5 n ARG 244 N -0.71 -4.85 0.00 1.61 1.74 0.41 -5.02 116.66 109.85 1sx5 n ARG 244 Ca 0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1sx5 n ARG 244 Cb 0.00 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 1sx5 n ARG 244 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74