#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s GLN 3 N 0.00 4.65 0.67 -0.52 0.74 -1.26 -5.00 119.66 118.94 3cx5 s GLN 3 Ca 0.00 1.56 -0.15 0.00 0.05 0.00 0.00 55.36 56.82 3cx5 s GLN 3 Cb 0.00 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.78 3cx5 s GLN 3 CO 0.00 0.15 1.13 -1.54 -0.55 0.00 0.00 175.29 174.47 3cx5 s SER 4 N -0.01 4.96 0.46 6.67 1.04 -1.26 -4.89 113.70 120.67 3cx5 s SER 4 Ca 0.48 2.07 0.24 0.00 0.48 0.00 0.00 55.95 59.23 3cx5 s SER 4 Cb -0.26 -2.56 1.03 0.00 0.10 0.00 0.00 66.02 64.33 3cx5 s SER 4 CO 0.32 -1.73 1.88 -0.26 0.98 0.00 0.00 173.24 174.42 3cx5 h PHE 5 N 0.02 0.00 -0.36 5.02 -1.00 -1.96 -1.54 116.94 117.12 3cx5 h PHE 5 Ca -0.47 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.27 3cx5 h PHE 5 Cb 1.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 3cx5 h PHE 5 CO 0.53 0.21 0.06 1.15 -1.61 0.00 0.00 178.31 178.66 3cx5 h THR 6 N 0.00 1.24 -0.40 -1.55 2.02 -1.95 0.70 112.91 112.96 3cx5 h THR 6 Ca -0.00 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 3cx5 h THR 6 Cb 0.66 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3cx5 h THR 6 CO 0.03 0.28 0.06 -1.28 0.37 0.00 0.00 175.52 174.98 3cx5 h SER 7 N 0.44 0.64 -0.10 4.18 0.87 -1.85 -1.67 113.55 116.06 3cx5 h SER 7 Ca 0.11 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3cx5 h SER 7 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3cx5 h SER 7 CO 0.01 0.74 0.03 0.40 -0.53 0.00 0.00 176.83 177.47 3cx5 h ILE 8 N 0.51 0.98 -0.89 2.23 2.04 -1.06 -2.41 117.51 118.90 3cx5 h ILE 8 Ca 0.12 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3cx5 h ILE 8 Cb 0.37 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3cx5 h ILE 8 CO 0.01 0.01 0.47 0.00 0.00 0.00 0.00 178.15 178.64 3cx5 h ALA 9 N 1.06 1.14 -0.42 1.87 0.00 -0.79 0.21 119.26 122.33 3cx5 h ALA 9 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3cx5 h ALA 9 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3cx5 h ALA 9 CO -0.04 0.66 0.22 -0.09 0.00 0.00 0.00 179.25 180.00 3cx5 h ARG 10 N 1.25 0.42 -0.17 0.00 2.43 -1.05 0.35 114.38 117.61 3cx5 h ARG 10 Ca 0.31 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 3cx5 h ARG 10 Cb 0.05 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3cx5 h ARG 10 CO -0.05 0.28 -0.20 0.82 -1.51 0.00 0.00 179.97 179.31 3cx5 h ILE 11 N 0.44 1.35 -0.27 1.20 2.04 -1.19 -2.73 117.51 118.34 3cx5 h ILE 11 Ca 0.18 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3cx5 h ILE 11 Cb 0.07 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3cx5 h ILE 11 CO -0.11 0.42 0.13 1.23 0.00 0.00 0.00 178.15 179.82 3cx5 h GLY 12 N 0.07 0.42 1.02 5.37 0.00 -0.69 -2.37 103.07 106.89 3cx5 h GLY 12 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3cx5 h GLY 12 CO 0.05 0.20 0.55 -0.55 0.00 0.00 0.00 176.54 176.79 3cx5 h ASP 13 N 0.31 1.13 -0.83 0.19 3.32 -0.39 -0.28 116.42 119.87 3cx5 h ASP 13 Ca 0.09 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3cx5 h ASP 13 Cb 0.11 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 3cx5 h ASP 13 CO -0.01 0.88 0.54 0.22 -1.72 0.00 0.00 179.24 179.15 3cx5 h TYR 14 N 1.29 0.98 -0.13 4.55 3.20 -1.25 -0.10 116.97 125.51 3cx5 h TYR 14 Ca 0.33 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 3cx5 h TYR 14 Cb -0.04 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.91 3cx5 h TYR 14 CO 0.01 0.56 -0.34 0.82 -1.64 0.00 0.00 178.16 177.56 3cx5 h ILE 15 N 1.00 1.37 -0.64 1.81 2.04 -0.78 -3.08 117.51 119.23 3cx5 h ILE 15 Ca 0.33 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 3cx5 h ILE 15 Cb 0.07 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3cx5 h ILE 15 CO -0.10 0.49 0.20 -0.07 0.00 0.00 0.00 178.15 178.66 3cx5 h LEU 16 N 0.06 0.91 -1.12 1.44 -0.00 -0.57 -2.82 115.31 113.21 3cx5 h LEU 16 Ca -0.01 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 3cx5 h LEU 16 Cb 0.95 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 3cx5 h LEU 16 CO 0.07 0.86 -0.10 0.11 -0.00 0.00 0.00 178.44 179.38 3cx5 h LYS 17 N 0.95 0.00 -5.36 1.13 1.57 -1.10 -3.42 116.57 110.34 3cx5 h LYS 17 Ca 0.21 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.34 3cx5 h LYS 17 Cb 0.27 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.43 3cx5 h LYS 17 CO -0.01 0.10 0.08 0.45 -0.57 0.00 0.00 179.45 179.50 3cx5 s SER 18 N -5.97 6.33 0.32 0.86 0.15 -1.08 -4.95 113.70 109.36 3cx5 s SER 18 Ca 0.02 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.52 3cx5 s SER 18 Cb 0.09 -2.31 0.77 0.00 -1.71 0.00 0.00 66.02 62.87 3cx5 s SER 18 CO 0.60 -0.68 1.81 -0.65 1.20 0.00 0.00 173.24 175.52 3cx5 h PRO 19 N 8.72 0.72 0.55 5.44 0.11 -1.83 0.22 132.00 145.93 3cx5 h PRO 19 Ca -0.26 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3cx5 h PRO 19 Cb 1.10 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.06 3cx5 h PRO 19 CO 0.86 0.48 -0.26 0.28 -0.21 0.00 0.00 178.00 179.14 3cx5 h VAL 20 N 0.74 0.00 -0.72 3.15 2.07 -1.92 -2.68 116.25 116.88 3cx5 h VAL 20 Ca 0.54 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3cx5 h VAL 20 Cb 0.86 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3cx5 h VAL 20 CO -0.31 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 177.69 3cx5 h LEU 21 N -1.06 0.83 0.10 2.57 -0.00 -1.76 -2.58 115.31 113.41 3cx5 h LEU 21 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 3cx5 h LEU 21 Cb 0.56 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3cx5 h LEU 21 CO 0.12 0.60 -0.05 -1.28 -0.00 0.00 0.00 178.44 177.84 3cx5 h SER 22 N 0.98 -0.11 0.81 -0.43 0.87 -0.33 0.37 113.55 115.70 3cx5 h SER 22 Ca 0.27 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3cx5 h SER 22 Cb -0.11 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3cx5 h SER 22 CO -0.06 -0.01 0.00 0.50 -0.53 0.00 0.00 176.83 176.73 3cx5 h LYS 23 N -0.20 0.00 0.06 2.24 3.64 -1.36 -1.72 116.57 119.23 3cx5 h LYS 23 Ca -0.01 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 3cx5 h LYS 23 Cb 0.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3cx5 h LYS 23 CO 0.02 0.00 -1.92 -0.11 -2.27 0.00 0.00 179.45 175.18 3cx5 n LEU 24 N -2.90 1.83 -0.09 5.20 7.94 -0.95 -4.58 117.00 123.45 3cx5 n LEU 24 Ca 0.00 0.27 -0.22 0.00 -1.11 0.00 0.00 56.01 54.96 3cx5 n LEU 24 Cb 0.25 -0.52 -0.12 0.00 0.53 0.00 0.00 43.42 43.56 3cx5 n LEU 24 CO 0.24 0.65 -1.09 0.00 -1.11 0.00 0.00 177.39 176.09 3cx5 h VAL 26 N -0.29 0.58 -0.82 0.00 2.07 -1.51 -0.47 116.25 115.81 3cx5 h VAL 26 Ca -0.52 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3cx5 h VAL 26 Cb 1.81 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3cx5 h VAL 26 CO -0.11 0.05 0.53 -0.65 0.02 0.00 0.00 177.57 177.41 3cx5 h PRO 27 N 0.29 1.04 -0.37 1.57 0.11 -1.81 0.21 132.00 133.04 3cx5 h PRO 27 Ca 0.38 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 3cx5 h PRO 27 Cb 0.61 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3cx5 h PRO 27 CO -0.46 0.69 -0.17 0.28 -0.21 0.00 0.00 178.00 178.13 3cx5 h VAL 28 N 1.07 1.26 -0.47 3.15 2.07 -1.57 -1.87 116.25 119.89 3cx5 h VAL 28 Ca 0.31 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3cx5 h VAL 28 Cb -0.07 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3cx5 h VAL 28 CO -0.09 0.41 -0.15 0.00 0.02 0.00 0.00 177.57 177.76 3cx5 h ALA 29 N 1.20 0.84 -0.67 1.67 0.00 -0.40 -0.36 119.26 121.53 3cx5 h ALA 29 Ca 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3cx5 h ALA 29 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3cx5 h ALA 29 CO 0.04 0.65 0.27 -0.91 0.00 0.00 0.00 179.25 179.30 3cx5 h ASN 30 N 0.80 0.93 -0.48 0.00 2.35 -0.30 -1.14 115.58 117.74 3cx5 h ASN 30 Ca 0.12 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 3cx5 h ASN 30 Cb 0.69 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3cx5 h ASN 30 CO 0.05 0.85 -0.22 -0.61 -1.65 0.00 0.00 177.43 175.85 3cx5 h GLN 31 N 0.96 1.00 -0.32 0.81 5.75 -1.12 -2.01 115.11 120.17 3cx5 h GLN 31 Ca 0.22 -0.43 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 3cx5 h GLN 31 Cb 0.21 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3cx5 h GLN 31 CO -0.02 1.11 0.19 0.35 -2.65 0.00 0.00 178.83 177.81 3cx5 h PHE 32 N 0.86 0.35 -0.50 3.99 3.04 -0.72 -0.52 116.94 123.44 3cx5 h PHE 32 Ca 0.11 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 3cx5 h PHE 32 Cb 0.80 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 3cx5 h PHE 32 CO 0.05 0.21 0.17 0.82 -2.02 0.00 0.00 178.31 177.55 3cx5 h ILE 33 N 0.39 1.22 -0.51 1.41 2.04 -1.13 0.37 117.51 121.30 3cx5 h ILE 33 Ca 0.13 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3cx5 h ILE 33 Cb -0.00 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3cx5 h ILE 33 CO -0.06 0.27 0.05 0.78 0.00 0.00 0.00 178.15 179.19 3cx5 h ASN 34 N 0.68 0.78 0.70 1.72 2.35 -1.14 -2.36 115.58 118.33 3cx5 h ASN 34 Ca 0.16 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3cx5 h ASN 34 Cb 0.25 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3cx5 h ASN 34 CO -0.01 0.82 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.93 3cx5 h LEU 35 N 0.78 0.00 -1.17 1.61 3.38 -0.80 -3.03 115.31 116.08 3cx5 h LEU 35 Ca 0.16 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.22 3cx5 h LEU 35 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3cx5 h LEU 35 CO 0.01 0.60 0.58 0.00 0.09 0.00 0.00 178.44 179.72 3cx5 h ALA 36 N 1.40 1.58 0.00 1.53 0.00 -0.37 -3.46 119.26 119.95 3cx5 h ALA 36 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cx5 h ALA 36 Cb 1.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3cx5 h ALA 36 CO 0.08 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3cx5 n GLY 37 N -1.40 0.36 0.22 0.00 0.00 -1.15 -4.92 105.19 98.30 3cx5 n GLY 37 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3cx5 n GLY 37 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3cx5 h TYR 38 N 0.00 0.14 0.00 1.61 -0.00 -1.89 -2.54 116.97 114.28 3cx5 h TYR 38 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.68 3cx5 h TYR 38 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 36.98 3cx5 h TYR 38 CO 0.18 0.36 -0.16 0.87 -0.00 0.00 0.00 178.16 179.41 3cx5 h LYS 39 N 0.12 0.00 0.00 0.10 1.57 -1.89 -1.57 116.57 114.90 3cx5 h LYS 39 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3cx5 h LYS 39 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3cx5 h LYS 39 CO 0.03 0.16 0.00 1.63 -0.57 0.00 0.00 179.45 180.71 3cx5 n LYS 40 N -3.84 0.12 -0.15 3.15 5.02 -0.96 -1.69 118.16 119.81 3cx5 n LYS 40 Ca -0.02 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 3cx5 n LYS 40 Cb 0.26 -1.68 0.18 0.00 -0.02 0.00 0.00 35.03 33.77 3cx5 n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cx5 n LEU 41 N -1.89 3.23 0.00 -0.35 4.32 -0.62 -1.58 117.00 120.10 3cx5 n LEU 41 Ca 0.04 -1.46 0.00 0.00 -0.02 0.00 0.00 56.01 54.57 3cx5 n LEU 41 Cb 0.28 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3cx5 n LEU 41 CO 0.22 0.69 0.00 0.61 -1.22 0.00 0.00 177.39 177.68 3cx5 n GLY 42 N 1.31 0.40 3.77 -0.72 0.00 -0.75 -4.14 105.19 105.06 3cx5 n GLY 42 Ca 0.17 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3cx5 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cx5 s LEU 43 N 0.00 3.72 0.17 0.99 1.43 -1.00 -4.81 118.68 119.18 3cx5 s LEU 43 Ca 0.00 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3cx5 s LEU 43 Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3cx5 s LEU 43 CO 0.00 0.11 0.13 -0.54 0.23 0.00 0.00 176.35 176.27 3cx5 s LYS 44 N -2.84 2.85 0.23 1.70 1.02 -1.26 -3.76 119.74 117.68 3cx5 s LYS 44 Ca 0.30 -0.90 -0.07 0.00 0.02 0.00 0.00 55.97 55.32 3cx5 s LYS 44 Cb -0.11 -2.61 0.35 0.00 -0.52 0.00 0.00 37.83 34.94 3cx5 s LYS 44 CO 0.22 0.48 1.77 0.35 -0.92 0.00 0.00 175.35 177.25 3cx5 h PHE 45 N 2.40 0.60 0.00 3.18 3.57 -1.88 -0.75 116.94 124.05 3cx5 h PHE 45 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3cx5 h PHE 45 Cb 1.20 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3cx5 h PHE 45 CO 0.58 0.19 0.10 -0.44 -2.23 0.00 0.00 178.31 176.52 3cx5 h ASP 46 N 0.56 0.00 1.14 0.41 3.45 -1.95 0.12 116.42 120.15 3cx5 h ASP 46 Ca 0.36 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.76 3cx5 h ASP 46 Cb 0.41 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3cx5 h ASP 46 CO -0.29 0.00 -0.27 0.44 -1.57 0.00 0.00 179.24 177.55 3cx5 h ASP 47 N 0.00 0.00 1.54 6.45 3.32 -1.53 -3.22 116.42 122.99 3cx5 h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cx5 h ASP 47 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3cx5 h ASP 47 CO 0.00 0.27 0.00 -0.07 -1.72 0.00 0.00 179.24 177.72 3cx5 h LEU 48 N 0.00 0.00 -9.47 1.55 4.07 -0.80 -3.47 115.31 107.19 3cx5 h LEU 48 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3cx5 h LEU 48 Cb 0.92 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.68 3cx5 h LEU 48 CO 0.04 0.00 1.07 -0.63 -1.08 0.00 0.00 178.44 177.84 3cx5 s ILE 49 N -3.12 2.81 -0.00 1.22 1.01 -1.22 -4.91 121.20 117.00 3cx5 s ILE 49 Ca 0.10 0.25 -0.32 0.00 0.00 0.00 0.00 60.65 60.68 3cx5 s ILE 49 Cb 0.11 -3.16 -0.11 0.00 0.01 0.00 0.00 42.46 39.31 3cx5 s ILE 49 CO 0.61 -0.00 1.89 0.00 0.00 0.00 0.00 174.94 177.43 3cx5 n ALA 50 N 5.82 1.32 1.09 9.38 0.00 -1.26 -4.88 120.51 131.98 3cx5 n ALA 50 Ca 0.17 0.28 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3cx5 n ALA 50 Cb 0.39 -2.56 0.14 0.00 0.00 0.00 0.00 19.45 17.42 3cx5 n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cx5 n GLU 51 N 6.57 0.95 -1.32 0.00 0.28 -1.26 -4.72 120.64 121.14 3cx5 n GLU 51 Ca 0.21 -0.71 -0.39 0.00 -0.16 0.00 0.00 57.16 56.11 3cx5 n GLU 51 Cb 0.34 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 3cx5 n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3cx5 n GLU 52 N -0.41 3.61 -3.60 3.44 4.71 -1.26 -4.14 120.64 122.99 3cx5 n GLU 52 Ca 0.10 -2.21 -0.15 0.00 -0.01 0.00 0.00 57.16 54.89 3cx5 n GLU 52 Cb 0.41 -2.82 -0.06 0.00 -1.01 0.00 0.00 31.44 27.96 3cx5 n GLU 52 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3cx5 s ASN 53 N 2.27 -0.46 0.32 1.62 4.22 -1.26 -5.08 114.94 116.58 3cx5 s ASN 53 Ca 0.68 0.32 0.06 0.00 -2.14 0.00 0.00 52.86 51.78 3cx5 s ASN 53 Cb 0.18 0.47 0.72 0.00 1.28 0.00 0.00 41.25 43.90 3cx5 s ASN 53 CO -0.06 -0.63 1.82 1.55 -2.04 0.00 0.00 177.10 177.74 3cx5 h PRO 54 N 3.06 0.78 0.09 3.55 0.13 -1.99 -2.06 132.00 135.55 3cx5 h PRO 54 Ca -0.29 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3cx5 h PRO 54 Cb 1.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3cx5 h PRO 54 CO 0.40 0.52 -0.05 0.82 -0.23 0.00 0.00 178.00 179.46 3cx5 h ILE 55 N 0.80 0.98 -0.46 -3.56 1.08 -1.96 -1.95 117.51 112.44 3cx5 h ILE 55 Ca 0.51 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.67 3cx5 h ILE 55 Cb 0.74 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 3cx5 h ILE 55 CO -0.28 0.07 0.07 0.24 -0.69 0.00 0.00 178.15 177.55 3cx5 h MET 56 N -0.25 0.71 -0.43 2.37 2.86 -1.77 -1.32 114.93 117.11 3cx5 h MET 56 Ca -0.01 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 3cx5 h MET 56 Cb 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3cx5 h MET 56 CO 0.02 0.68 -0.06 1.96 1.06 0.00 0.00 176.91 180.57 3cx5 h GLN 57 N 0.68 0.74 -0.28 1.72 1.08 -1.26 0.15 115.11 117.94 3cx5 h GLN 57 Ca 0.15 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3cx5 h GLN 57 Cb 0.32 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3cx5 h GLN 57 CO 0.00 0.79 -0.04 1.15 -0.95 0.00 0.00 178.83 179.78 3cx5 h THR 58 N 0.68 1.27 0.22 -0.54 2.02 -0.99 -1.97 112.91 113.61 3cx5 h THR 58 Ca 0.13 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3cx5 h THR 58 Cb 0.51 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3cx5 h THR 58 CO 0.03 0.33 -0.15 0.00 0.37 0.00 0.00 175.52 176.10 3cx5 h ALA 59 N 0.79 -0.36 -0.41 6.16 0.00 -0.83 -2.10 119.26 122.53 3cx5 h ALA 59 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3cx5 h ALA 59 Cb 0.51 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3cx5 h ALA 59 CO 0.02 -0.71 0.18 -0.07 0.00 0.00 0.00 179.25 178.67 3cx5 h LEU 60 N -0.37 0.52 -0.73 0.00 3.38 -0.99 -1.45 115.31 115.66 3cx5 h LEU 60 Ca -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3cx5 h LEU 60 Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3cx5 h LEU 60 CO 0.01 0.46 -0.14 -0.09 0.09 0.00 0.00 178.44 178.77 3cx5 h ARG 61 N 0.58 0.82 0.00 1.13 2.43 -1.12 -2.99 114.38 115.24 3cx5 h ARG 61 Ca 0.14 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3cx5 h ARG 61 Cb 0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3cx5 h ARG 61 CO -0.02 0.92 -0.04 0.00 -1.51 0.00 0.00 179.97 179.32 3cx5 h ARG 62 N 0.73 0.00 -6.62 0.20 -0.00 -0.69 -3.46 114.38 104.54 3cx5 h ARG 62 Ca 0.12 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 59.07 3cx5 h ARG 62 Cb 0.65 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.67 3cx5 h ARG 62 CO 0.05 0.00 0.98 -1.17 0.00 0.00 0.00 179.97 179.82 3cx5 s LEU 63 N -4.59 4.37 0.46 3.04 2.96 -0.61 -4.92 118.68 119.39 3cx5 s LEU 63 Ca 0.10 2.75 -0.24 0.00 -0.22 0.00 0.00 54.13 56.52 3cx5 s LEU 63 Cb 0.12 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 3cx5 s LEU 63 CO 0.61 -0.92 1.33 -0.81 -1.32 0.00 0.00 176.35 175.23 3cx5 n PRO 64 N 4.22 1.94 -0.28 0.98 -0.04 -1.26 -4.72 135.00 135.83 3cx5 n PRO 64 Ca 0.15 0.70 -0.01 0.00 -0.04 0.00 0.00 63.50 64.30 3cx5 n PRO 64 Cb 0.37 -2.49 0.05 0.00 -0.04 0.00 0.00 33.50 31.39 3cx5 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cx5 h GLU 65 N 1.95 -0.06 -0.72 0.54 5.08 -1.95 -1.21 114.58 118.20 3cx5 h GLU 65 Ca -0.49 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3cx5 h GLU 65 Cb 1.29 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 3cx5 h GLU 65 CO 0.59 -0.04 0.40 0.38 -1.00 0.00 0.00 179.01 179.34 3cx5 h ASP 66 N -0.06 0.57 0.27 1.42 2.03 -2.00 -0.67 116.42 117.96 3cx5 h ASP 66 Ca 0.32 0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.53 3cx5 h ASP 66 Cb 0.58 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 3cx5 h ASP 66 CO -0.83 0.34 -0.52 -0.33 -1.03 0.00 0.00 179.24 176.88 3cx5 h GLU 67 N 0.70 0.28 -0.52 4.15 5.08 -1.75 -2.49 114.58 120.03 3cx5 h GLU 67 Ca 0.34 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3cx5 h GLU 67 Cb 0.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3cx5 h GLU 67 CO -0.22 0.73 -0.07 1.03 -1.00 0.00 0.00 179.01 179.48 3cx5 h SER 68 N 0.22 0.95 -0.65 1.42 0.87 -0.36 0.21 113.55 116.22 3cx5 h SER 68 Ca 0.01 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.17 3cx5 h SER 68 Cb 0.98 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 3cx5 h SER 68 CO 0.08 1.07 0.16 1.88 -0.53 0.00 0.00 176.83 179.49 3cx5 h TYR 69 N 0.82 1.09 -0.57 2.24 0.99 -1.05 -1.11 116.97 119.38 3cx5 h TYR 69 Ca 0.14 -0.13 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 3cx5 h TYR 69 Cb 0.62 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.02 3cx5 h TYR 69 CO 0.05 0.90 -0.06 0.00 -0.00 0.00 0.00 178.16 179.05 3cx5 h ALA 70 N 1.06 0.82 -0.68 3.88 0.00 -1.20 -1.74 119.26 121.40 3cx5 h ALA 70 Ca 0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3cx5 h ALA 70 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3cx5 h ALA 70 CO 0.00 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 179.97 3cx5 h ARG 71 N 0.93 1.10 -0.30 0.00 2.43 -0.72 -2.00 114.38 115.83 3cx5 h ARG 71 Ca 0.16 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3cx5 h ARG 71 Cb 0.62 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3cx5 h ARG 71 CO 0.04 0.99 0.19 0.00 -1.51 0.00 0.00 179.97 179.67 3cx5 h ALA 72 N 1.11 0.37 -0.41 2.80 0.00 -0.87 -1.68 119.26 120.58 3cx5 h ALA 72 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3cx5 h ALA 72 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3cx5 h ALA 72 CO 0.01 -0.18 0.27 -0.92 0.00 0.00 0.00 179.25 178.43 3cx5 h TYR 73 N 0.38 0.52 -0.93 0.00 3.20 -1.10 -1.63 116.97 117.41 3cx5 h TYR 73 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3cx5 h TYR 73 Cb -0.03 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 3cx5 h TYR 73 CO -0.07 0.34 0.62 0.00 -1.64 0.00 0.00 178.16 177.41 3cx5 h ARG 74 N 0.56 1.22 -0.13 1.82 3.08 -1.07 0.18 114.38 120.03 3cx5 h ARG 74 Ca 0.15 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3cx5 h ARG 74 Cb -0.05 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 3cx5 h ARG 74 CO -0.03 0.81 0.02 0.82 -1.07 0.00 0.00 179.97 180.52 3cx5 h ILE 75 N 1.25 1.21 -0.15 2.04 2.04 -1.01 -1.13 117.51 121.76 3cx5 h ILE 75 Ca 0.35 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3cx5 h ILE 75 Cb -0.13 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3cx5 h ILE 75 CO -0.08 0.20 0.07 0.40 0.00 0.00 0.00 178.15 178.74 3cx5 h ILE 76 N 0.00 1.13 -0.92 -0.67 2.04 -1.04 -1.58 117.51 116.47 3cx5 h ILE 76 Ca 0.04 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.57 3cx5 h ILE 76 Cb 0.29 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3cx5 h ILE 76 CO 0.00 0.12 0.59 -0.09 0.00 0.00 0.00 178.15 178.78 3cx5 h ARG 77 N 0.11 1.08 -0.70 2.37 2.43 -0.96 -1.51 114.38 117.20 3cx5 h ARG 77 Ca 0.05 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3cx5 h ARG 77 Cb 0.13 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3cx5 h ARG 77 CO -0.01 0.71 0.14 0.00 -1.51 0.00 0.00 179.97 179.31 3cx5 h ALA 78 N 1.40 0.93 -0.65 2.80 0.00 -0.86 -0.97 119.26 121.91 3cx5 h ALA 78 Ca 0.38 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3cx5 h ALA 78 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3cx5 h ALA 78 CO -0.15 0.67 0.16 0.45 0.00 0.00 0.00 179.25 180.38 3cx5 h HIS 79 N 1.07 1.10 -0.55 0.00 3.86 -0.65 -0.77 115.15 119.20 3cx5 h HIS 79 Ca 0.22 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3cx5 h HIS 79 Cb 0.41 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3cx5 h HIS 79 CO 0.03 0.91 0.16 0.37 0.86 0.00 0.00 177.93 180.26 3cx5 h GLN 80 N 0.97 0.87 -0.52 2.45 5.75 -1.00 -1.47 115.11 122.16 3cx5 h GLN 80 Ca 0.21 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 3cx5 h GLN 80 Cb 0.36 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3cx5 h GLN 80 CO 0.00 0.80 -0.03 1.15 -2.65 0.00 0.00 178.83 178.10 3cx5 h THR 81 N 0.78 1.27 -0.30 2.39 2.02 -0.99 -2.77 112.91 115.31 3cx5 h THR 81 Ca 0.18 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3cx5 h THR 81 Cb 0.31 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3cx5 h THR 81 CO -0.00 0.40 0.16 -0.08 0.37 0.00 0.00 175.52 176.37 3cx5 h GLU 82 N 0.81 0.42 0.00 6.66 4.57 -0.92 -2.53 114.58 123.59 3cx5 h GLU 82 Ca 0.14 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3cx5 h GLU 82 Cb 0.57 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3cx5 h GLU 82 CO 0.03 0.37 -0.12 1.37 -1.18 0.00 0.00 179.01 179.48 3cx5 h LEU 83 N 0.36 0.00 -0.65 1.64 8.10 -1.22 -0.57 115.31 122.97 3cx5 h LEU 83 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.09 3cx5 h LEU 83 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 3cx5 h LEU 83 CO -0.02 0.12 -0.08 0.35 -4.11 0.00 0.00 178.44 174.70 3cx5 n THR 84 N -3.60 0.00 -3.69 0.15 -2.24 -0.99 -4.94 114.28 98.96 3cx5 n THR 84 Ca -0.02 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 3cx5 n THR 84 Cb 0.25 0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 3cx5 n THR 84 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cx5 n HIS 85 N -0.31 -2.60 -4.37 4.78 8.25 -0.22 -5.00 115.22 115.75 3cx5 n HIS 85 Ca 0.17 0.97 -0.19 0.00 -0.26 0.00 0.00 57.72 58.40 3cx5 n HIS 85 Cb 0.32 -4.69 -0.10 0.00 1.12 0.00 0.00 29.99 26.64 3cx5 n HIS 85 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3cx5 s HIS 86 N -3.34 1.67 0.28 4.41 3.76 -1.08 -5.07 115.29 115.92 3cx5 s HIS 86 Ca 0.53 -1.22 0.09 0.00 -0.15 0.00 0.00 55.06 54.30 3cx5 s HIS 86 Cb -0.24 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 3cx5 s HIS 86 CO 0.77 -0.34 0.07 -0.51 -0.85 0.00 0.00 174.74 173.88 3cx5 s LEU 87 N -3.41 3.34 0.80 0.89 1.43 -1.26 -4.43 118.68 116.05 3cx5 s LEU 87 Ca 0.35 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3cx5 s LEU 87 Cb 0.06 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.49 3cx5 s LEU 87 CO 0.15 -0.06 1.09 -0.76 0.23 0.00 0.00 176.35 177.00 3cx5 s LEU 88 N -3.74 2.71 0.44 1.79 1.43 -0.62 -4.98 118.68 115.72 3cx5 s LEU 88 Ca 0.33 1.53 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 3cx5 s LEU 88 Cb -0.06 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 3cx5 s LEU 88 CO 0.22 -2.06 1.35 -2.84 0.23 0.00 0.00 176.35 173.25 3cx5 s PRO 89 N -5.02 3.75 0.32 1.29 0.02 -1.26 -4.86 135.00 129.25 3cx5 s PRO 89 Ca 0.61 2.26 0.09 0.00 0.02 0.00 0.00 61.00 63.98 3cx5 s PRO 89 Cb -0.16 -2.65 0.95 0.00 0.02 0.00 0.00 34.50 32.66 3cx5 s PRO 89 CO 0.55 -0.71 1.63 -0.09 -0.33 0.00 0.00 177.00 178.06 3cx5 h ARG 90 N 2.37 0.18 0.00 5.54 2.43 -1.96 0.15 114.38 123.09 3cx5 h ARG 90 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3cx5 h ARG 90 Cb 1.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3cx5 h ARG 90 CO 0.61 0.12 0.00 -2.95 -1.51 0.00 0.00 179.97 176.24 3cx5 h ASN 91 N 0.18 0.00 0.01 -3.80 7.08 -2.03 -2.14 115.58 114.89 3cx5 h ASN 91 Ca 0.67 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.89 3cx5 h ASN 91 Cb 1.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.74 3cx5 h ASN 91 CO -0.70 0.00 -0.24 -0.62 -2.08 0.00 0.00 177.43 173.80 3cx5 n GLU 92 N -2.54 1.59 -2.11 4.14 1.02 0.51 -4.95 120.64 118.30 3cx5 n GLU 92 Ca 0.00 -1.24 -0.37 0.00 -0.02 0.00 0.00 57.16 55.53 3cx5 n GLU 92 Cb 0.19 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3cx5 n GLU 92 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3cx5 s TRP 93 N -2.27 2.60 -0.02 -0.32 0.52 -0.81 -4.59 118.94 114.05 3cx5 s TRP 93 Ca 0.25 1.50 -0.30 0.00 0.02 0.00 0.00 56.10 57.57 3cx5 s TRP 93 Cb 0.19 -3.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 3cx5 s TRP 93 CO 0.45 -1.96 1.28 0.42 0.02 0.00 0.00 176.95 177.15 3cx5 s ILE 94 N -1.55 4.02 0.47 2.03 -1.09 -0.68 -4.99 121.20 119.40 3cx5 s ILE 94 Ca 0.70 1.38 -0.19 0.00 -2.23 0.00 0.00 60.65 60.31 3cx5 s ILE 94 Cb -0.30 -3.89 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 3cx5 s ILE 94 CO 0.35 0.01 0.97 -0.54 -1.23 0.00 0.00 174.94 174.50 3cx5 s LYS 95 N 2.18 4.09 0.31 2.79 1.02 -1.26 -4.85 119.74 124.01 3cx5 s LYS 95 Ca 0.59 1.09 0.08 0.00 0.02 0.00 0.00 55.97 57.74 3cx5 s LYS 95 Cb -0.28 -2.16 0.84 0.00 -0.52 0.00 0.00 37.83 35.71 3cx5 s LYS 95 CO 0.24 -0.16 1.73 0.00 -0.92 0.00 0.00 175.35 176.24 3cx5 h ALA 96 N 1.53 1.70 0.00 5.17 0.00 -1.97 0.24 119.26 125.93 3cx5 h ALA 96 Ca -0.48 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3cx5 h ALA 96 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3cx5 h ALA 96 CO 0.61 -0.26 -0.26 1.96 0.00 0.00 0.00 179.25 181.30 3cx5 h GLN 97 N 0.56 0.00 0.00 0.00 7.50 -2.03 -2.64 115.11 118.50 3cx5 h GLN 97 Ca 0.62 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.77 3cx5 h GLN 97 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 3cx5 h GLN 97 CO -0.48 0.26 -0.42 0.93 -1.50 0.00 0.00 178.83 177.62 3cx5 h GLU 98 N 0.00 0.00 -3.07 1.46 5.08 -0.92 -3.39 114.58 113.74 3cx5 h GLU 98 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3cx5 h GLU 98 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.73 3cx5 h GLU 98 CO 0.03 0.00 3.35 -3.47 -1.00 0.00 0.00 179.01 177.92 3cx5 n ASP 99 N -2.25 7.59 -4.84 1.42 2.03 -0.78 -4.92 116.55 114.80 3cx5 n ASP 99 Ca 0.04 -2.50 -0.36 0.00 0.52 0.00 0.00 54.79 52.50 3cx5 n ASP 99 Cb 0.45 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 39.37 3cx5 n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3cx5 s VAL 100 N 2.45 4.79 -1.38 5.18 1.01 -1.26 -4.85 120.40 126.34 3cx5 s VAL 100 Ca 0.61 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 3cx5 s VAL 100 Cb 0.16 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3cx5 s VAL 100 CO -0.05 0.27 2.17 -0.81 0.00 0.00 0.00 175.10 176.68 3cx5 n PRO 101 N 0.89 2.74 0.22 2.72 -0.04 -1.26 -4.72 135.00 135.54 3cx5 n PRO 101 Ca -0.05 -2.57 0.07 0.00 -0.04 0.00 0.00 63.50 60.91 3cx5 n PRO 101 Cb 0.52 -3.27 0.50 0.00 -0.04 0.00 0.00 33.50 31.21 3cx5 n PRO 101 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3cx5 h TYR 102 N 6.29 0.00 0.00 0.54 -0.00 -1.96 -3.20 116.97 118.63 3cx5 h TYR 102 Ca 0.55 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 59.04 3cx5 h TYR 102 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.34 3cx5 h TYR 102 CO 1.44 0.26 -1.99 -0.11 -0.00 0.00 0.00 178.16 177.75 3cx5 n LEU 103 N -3.84 0.31 -0.28 0.10 7.94 -1.26 -4.56 117.00 115.40 3cx5 n LEU 103 Ca -0.02 0.14 0.06 0.00 -1.11 0.00 0.00 56.01 55.08 3cx5 n LEU 103 Cb 0.35 0.26 0.16 0.00 0.53 0.00 0.00 43.42 44.72 3cx5 n LEU 103 CO 0.35 0.30 0.78 0.25 -1.11 0.00 0.00 177.39 177.95 3cx5 h LEU 104 N 0.00 -0.52 -1.42 -1.96 5.85 -1.94 -0.48 115.31 114.84 3cx5 h LEU 104 Ca -0.31 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3cx5 h LEU 104 Cb 1.81 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 43.24 3cx5 h LEU 104 CO 0.03 -0.24 0.20 1.55 -0.34 0.00 0.00 178.44 179.64 3cx5 h PRO 105 N 0.05 0.59 -0.29 5.25 0.13 -1.80 0.12 132.00 136.05 3cx5 h PRO 105 Ca 0.44 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 65.34 3cx5 h PRO 105 Cb 0.78 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 3cx5 h PRO 105 CO -0.78 0.47 -0.48 1.88 -0.23 0.00 0.00 178.00 178.86 3cx5 h TYR 106 N 0.60 0.96 -0.02 1.56 -1.99 -1.42 -1.97 116.97 114.69 3cx5 h TYR 106 Ca 0.15 -0.32 -0.00 0.00 2.00 0.00 0.00 58.73 60.56 3cx5 h TYR 106 Cb 0.07 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 38.61 3cx5 h TYR 106 CO 0.00 1.11 0.00 0.82 -0.00 0.00 0.00 178.16 180.09 3cx5 h ILE 107 N 0.62 1.23 -0.87 -2.88 2.04 -0.54 -1.93 117.51 115.18 3cx5 h ILE 107 Ca 0.03 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3cx5 h ILE 107 Cb 1.05 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 3cx5 h ILE 107 CO 0.10 0.18 0.58 -0.07 0.00 0.00 0.00 178.15 178.94 3cx5 h LEU 108 N -0.24 0.98 -0.30 1.44 3.38 -0.78 -0.35 115.31 119.44 3cx5 h LEU 108 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3cx5 h LEU 108 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3cx5 h LEU 108 CO 0.00 0.70 0.07 -0.08 0.09 0.00 0.00 178.44 179.22 3cx5 h GLU 109 N 1.15 0.48 -0.70 1.13 4.81 -1.27 -1.26 114.58 118.93 3cx5 h GLU 109 Ca 0.33 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3cx5 h GLU 109 Cb -0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3cx5 h GLU 109 CO -0.08 0.56 0.25 0.00 -0.73 0.00 0.00 179.01 179.00 3cx5 h ALA 110 N 0.91 0.91 -0.74 2.92 0.00 -0.88 -2.06 119.26 120.32 3cx5 h ALA 110 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3cx5 h ALA 110 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3cx5 h ALA 110 CO 0.00 0.56 0.26 0.93 0.00 0.00 0.00 179.25 181.01 3cx5 h GLU 111 N 1.01 1.12 -0.43 0.00 5.08 -0.92 -0.71 114.58 119.75 3cx5 h GLU 111 Ca 0.23 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3cx5 h GLU 111 Cb 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3cx5 h GLU 111 CO -0.01 0.94 0.12 0.00 -1.00 0.00 0.00 179.01 179.06 3cx5 h ALA 112 N 1.13 0.56 -0.48 3.43 0.00 -1.01 0.78 119.26 123.67 3cx5 h ALA 112 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3cx5 h ALA 112 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3cx5 h ALA 112 CO -0.01 0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.59 3cx5 h ALA 113 N 0.97 0.63 -0.60 0.00 0.00 -1.20 -1.39 119.26 117.67 3cx5 h ALA 113 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3cx5 h ALA 113 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3cx5 h ALA 113 CO -0.00 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.74 3cx5 h ALA 114 N 0.99 0.78 -0.66 0.00 0.00 -0.95 -1.36 119.26 118.07 3cx5 h ALA 114 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3cx5 h ALA 114 Cb 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3cx5 h ALA 114 CO -0.00 0.44 0.37 -0.22 0.00 0.00 0.00 179.25 179.84 3cx5 h LYS 115 N 0.85 0.91 -0.56 0.00 1.63 -0.64 -1.78 116.57 116.99 3cx5 h LYS 115 Ca 0.19 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 3cx5 h LYS 115 Cb 0.27 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3cx5 h LYS 115 CO -0.01 0.68 0.08 1.49 -3.45 0.00 0.00 179.45 178.24 3cx5 h GLU 116 N 0.90 0.94 -0.65 1.90 4.81 -0.98 -1.50 114.58 120.00 3cx5 h GLU 116 Ca 0.23 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3cx5 h GLU 116 Cb 0.03 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3cx5 h GLU 116 CO -0.04 0.91 0.34 -0.22 -0.73 0.00 0.00 179.01 179.27 3cx5 h LYS 117 N 0.83 0.93 -0.78 1.92 3.64 -1.00 0.16 116.57 122.26 3cx5 h LYS 117 Ca 0.17 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3cx5 h LYS 117 Cb 0.44 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3cx5 h LYS 117 CO 0.01 0.72 0.30 0.22 -2.27 0.00 0.00 179.45 178.43 3cx5 h ASP 118 N 0.90 1.08 -0.33 4.20 3.58 -1.15 0.25 116.42 124.95 3cx5 h ASP 118 Ca 0.23 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 3cx5 h ASP 118 Cb 0.08 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3cx5 h ASP 118 CO -0.03 0.96 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.87 3cx5 h GLU 119 N 1.13 0.65 -0.11 0.28 5.08 -0.77 -2.75 114.58 118.08 3cx5 h GLU 119 Ca 0.26 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3cx5 h GLU 119 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3cx5 h GLU 119 CO -0.02 0.82 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.38 3cx5 h LEU 120 N 0.43 0.24 -1.44 1.33 3.38 -0.40 -1.72 115.31 117.14 3cx5 h LEU 120 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cx5 h LEU 120 Cb 0.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3cx5 h LEU 120 CO 0.03 0.59 -0.02 0.44 0.09 0.00 0.00 178.44 179.58 3cx5 h ASP 121 N 0.20 0.00 0.00 -0.43 3.32 -0.38 -3.16 116.42 115.98 3cx5 h ASP 121 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3cx5 h ASP 121 Cb 0.74 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3cx5 h ASP 121 CO 0.06 0.02 -0.12 0.59 -1.72 0.00 0.00 179.24 178.07 3cx5 n ASN 122 N -3.12 2.15 -4.77 6.45 3.02 -0.91 -5.07 115.26 113.02 3cx5 n ASN 122 Ca 0.01 -3.22 -0.40 0.00 -0.03 0.00 0.00 54.58 50.94 3cx5 n ASN 122 Cb 0.31 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3cx5 n ASN 122 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3cx5 s ILE 123 N -2.86 2.47 -0.01 2.41 -4.36 -0.70 -5.02 121.20 113.13 3cx5 s ILE 123 Ca 0.32 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.14 3cx5 s ILE 123 Cb 0.29 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.71 3cx5 s ILE 123 CO 0.01 0.07 0.05 -1.61 0.24 0.00 0.00 174.94 173.69 3cx5 s GLU 124 N -2.25 2.97 -0.23 0.37 2.02 -1.26 -5.09 118.70 115.22 3cx5 s GLU 124 Ca 0.57 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 3cx5 s GLU 124 Cb -0.40 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 3cx5 s GLU 124 CO 0.52 0.64 0.06 0.14 0.02 0.00 0.00 175.26 176.64 3cx5 s VAL 125 N -1.14 4.28 -0.68 2.63 -7.23 -1.26 -5.05 120.40 111.95 3cx5 s VAL 125 Ca 0.21 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 3cx5 s VAL 125 Cb -0.12 -2.98 0.17 0.00 0.56 0.00 0.00 36.38 34.01 3cx5 s VAL 125 CO 0.12 0.37 0.64 -0.55 -0.31 0.00 0.00 175.10 175.37 3cx5 s SER 126 N 1.38 6.45 0.00 4.85 0.15 -1.26 -5.36 113.70 119.92 3cx5 s SER 126 Ca 0.05 -2.17 0.15 0.00 0.70 0.00 0.00 55.95 54.67 3cx5 s SER 126 Cb -0.15 -2.22 0.88 0.00 -1.71 0.00 0.00 66.02 62.83 3cx5 s SER 126 CO 0.03 -0.75 1.30 0.29 1.20 0.00 0.00 173.24 175.31