#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx6 h ILE 3 N 0.00 1.20 -0.27 1.53 6.09 -1.97 -2.07 117.51 122.02 1cx6 h ILE 3 Ca 0.00 -0.55 -0.05 0.00 -1.37 0.00 0.00 64.86 62.88 1cx6 h ILE 3 Cb 0.00 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1cx6 h ILE 3 CO 0.00 0.23 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.02 1cx6 h PHE 4 N 0.85 0.56 0.00 2.19 -1.00 -2.02 -0.97 116.94 116.56 1cx6 h PHE 4 Ca 0.21 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1cx6 h PHE 4 Cb 0.09 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1cx6 h PHE 4 CO 0.01 0.69 0.00 0.39 -1.61 0.00 0.00 178.31 177.79 1cx6 n GLU 5 N -4.55 0.39 0.00 1.51 1.02 -0.78 -2.04 120.64 116.19 1cx6 n GLU 5 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1cx6 n GLU 5 Cb 0.28 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1cx6 n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1cx6 n LEU 7 N 0.89 0.00 0.00 -4.62 4.77 -0.37 -2.07 117.00 115.60 1cx6 n LEU 7 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1cx6 n LEU 7 Cb 0.19 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.47 1cx6 n LEU 7 CO 0.00 0.00 0.73 -0.09 -1.33 0.00 0.00 177.39 176.70 1cx6 h ARG 8 N 0.00 0.51 0.00 3.23 9.65 -1.65 0.53 114.38 126.66 1cx6 h ARG 8 Ca 0.00 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1cx6 h ARG 8 Cb 0.00 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1cx6 h ARG 8 CO 0.00 0.72 -0.00 0.82 2.80 0.00 0.00 179.97 184.31 1cx6 h ILE 9 N 0.45 1.34 -0.08 1.20 2.04 -1.69 -1.04 117.51 119.72 1cx6 h ILE 9 Ca 0.07 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 1cx6 h ILE 9 Cb 0.67 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1cx6 h ILE 9 CO 0.05 0.26 -0.30 0.44 0.00 0.00 0.00 178.15 178.60 1cx6 h ASP 10 N -0.42 0.15 0.00 1.72 3.32 -1.76 -3.31 116.42 116.12 1cx6 h ASP 10 Ca -0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1cx6 h ASP 10 Cb 0.42 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1cx6 h ASP 10 CO 0.00 0.45 -1.81 -0.62 -1.72 0.00 0.00 179.24 175.54 1cx6 n GLU 11 N -4.14 1.06 0.00 3.56 -0.58 0.15 -5.07 120.64 115.61 1cx6 n GLU 11 Ca -0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1cx6 n GLU 11 Cb 0.38 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1cx6 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cx6 n GLY 12 N 1.89 -1.82 2.71 0.62 0.00 -0.40 -4.46 105.19 103.73 1cx6 n GLY 12 Ca -0.12 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 1cx6 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cx6 s LEU 13 N 0.00 0.48 -0.04 0.99 2.96 -1.26 -4.32 118.68 117.49 1cx6 s LEU 13 Ca 0.00 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1cx6 s LEU 13 Cb 0.00 -0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.60 1cx6 s LEU 13 CO 0.00 -0.21 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.68 1cx6 s ARG 14 N 1.77 0.55 0.00 1.98 0.52 -0.63 -4.99 118.95 118.15 1cx6 s ARG 14 Ca -0.00 0.01 0.22 0.00 -0.52 0.00 0.00 55.73 55.44 1cx6 s ARG 14 Cb -0.12 -0.68 0.84 0.00 0.52 0.00 0.00 34.95 35.50 1cx6 s ARG 14 CO -0.03 -0.13 1.60 1.28 0.02 0.00 0.00 175.30 178.04 1cx6 n LEU 15 N 4.23 1.54 -4.28 2.53 4.77 -1.26 0.12 117.00 124.66 1cx6 n LEU 15 Ca -0.23 -0.62 -0.25 0.00 -0.03 0.00 0.00 56.01 54.88 1cx6 n LEU 15 Cb 0.50 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1cx6 n LEU 15 CO 0.21 0.31 -0.52 -0.75 -1.33 0.00 0.00 177.39 175.31 1cx6 s LYS 16 N -1.84 1.27 0.21 3.23 2.36 -1.26 -2.08 119.74 121.63 1cx6 s LYS 16 Ca 0.33 -1.08 -0.32 0.00 -2.55 0.00 0.00 55.97 52.35 1cx6 s LYS 16 Cb 0.18 -1.49 -0.15 0.00 -1.05 0.00 0.00 37.83 35.32 1cx6 s LYS 16 CO 0.28 0.36 1.20 -0.89 1.55 0.00 0.00 175.35 177.85 1cx6 n ILE 17 N 1.40 1.07 -4.03 5.43 5.41 -1.03 -4.71 119.36 122.91 1cx6 n ILE 17 Ca -0.18 -0.27 -0.10 0.00 1.00 0.00 0.00 62.75 63.20 1cx6 n ILE 17 Cb 0.53 -1.02 -0.08 0.00 -0.71 0.00 0.00 39.64 38.37 1cx6 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1cx6 s TYR 18 N -0.29 0.58 -0.18 1.39 -0.85 0.17 -4.94 117.35 113.24 1cx6 s TYR 18 Ca 0.70 -0.92 -0.13 0.00 -0.52 0.00 0.00 57.07 56.20 1cx6 s TYR 18 Cb -0.78 -0.15 -0.05 0.00 0.38 0.00 0.00 41.96 41.37 1cx6 s TYR 18 CO 0.53 -0.74 0.25 0.15 -1.52 0.00 0.00 175.55 174.22 1cx6 s LYS 19 N -4.02 4.23 0.41 -3.49 1.02 -1.26 0.78 119.74 117.41 1cx6 s LYS 19 Ca 0.23 0.00 -0.07 0.00 0.02 0.00 0.00 55.97 56.15 1cx6 s LYS 19 Cb 0.04 -3.43 0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1cx6 s LYS 19 CO 0.04 0.24 0.48 -0.40 -0.92 0.00 0.00 175.35 174.79 1cx6 n ASP 20 N 3.61 -0.48 0.28 2.83 5.75 -0.04 -4.79 116.55 123.71 1cx6 n ASP 20 Ca -0.13 -1.03 0.12 0.00 -0.01 0.00 0.00 54.79 53.74 1cx6 n ASP 20 Cb 0.52 -0.39 0.80 0.00 -1.03 0.00 0.00 41.12 41.02 1cx6 n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1cx6 h THR 21 N -1.54 0.72 -0.00 2.12 1.35 -1.99 0.13 112.91 113.70 1cx6 h THR 21 Ca -0.16 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1cx6 h THR 21 Cb 0.46 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1cx6 h THR 21 CO 0.11 0.01 -0.18 -0.62 -0.25 0.00 0.00 175.52 174.59 1cx6 n GLU 22 N -4.11 0.63 -1.15 4.72 -0.58 -1.26 -4.96 120.64 113.93 1cx6 n GLU 22 Ca -0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1cx6 n GLU 22 Cb 0.09 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1cx6 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cx6 n GLY 23 N 1.33 0.65 3.87 0.62 0.00 0.46 -5.08 105.19 107.04 1cx6 n GLY 23 Ca 0.12 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1cx6 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cx6 s TYR 24 N -2.00 3.62 0.24 1.61 4.12 -1.26 -4.73 117.35 118.96 1cx6 s TYR 24 Ca 0.00 0.67 -0.30 0.00 0.02 0.00 0.00 57.07 57.46 1cx6 s TYR 24 Cb 0.00 -2.05 -0.10 0.00 -1.52 0.00 0.00 41.96 38.28 1cx6 s TYR 24 CO 0.00 0.66 1.48 0.71 0.02 0.00 0.00 175.55 178.42 1cx6 s TYR 25 N -1.17 2.99 0.15 2.71 1.51 -1.15 -0.86 117.35 121.54 1cx6 s TYR 25 Ca 0.23 0.92 -0.08 0.00 -1.01 0.00 0.00 57.07 57.13 1cx6 s TYR 25 Cb -0.14 -3.87 -0.01 0.00 -0.11 0.00 0.00 41.96 37.83 1cx6 s TYR 25 CO 0.12 -2.93 0.25 0.99 -1.11 0.00 0.00 175.55 172.86 1cx6 s THR 26 N 0.20 0.08 0.33 -0.71 2.01 0.23 -0.75 115.64 117.03 1cx6 s THR 26 Ca 0.62 -1.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1cx6 s THR 26 Cb -0.43 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.27 1cx6 s THR 26 CO 0.42 -0.35 0.54 -0.51 -0.69 0.00 0.00 174.62 174.03 1cx6 s ILE 27 N -3.97 0.00 0.00 1.82 2.07 -0.76 0.44 121.20 120.80 1cx6 s ILE 27 Ca 0.17 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.99 1cx6 s ILE 27 Cb 0.04 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 40.06 1cx6 s ILE 27 CO -0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1cx6 n GLY 28 N -0.51 2.35 3.00 1.50 0.00 0.12 -1.32 105.19 110.33 1cx6 n GLY 28 Ca -0.02 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1cx6 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cx6 n ILE 29 N 0.00 4.41 -1.22 -0.61 5.41 -1.26 -1.60 119.36 124.49 1cx6 n ILE 29 Ca 0.00 -5.60 -0.05 0.00 1.00 0.00 0.00 62.75 58.09 1cx6 n ILE 29 Cb 0.00 -2.23 -0.02 0.00 -0.71 0.00 0.00 39.64 36.68 1cx6 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cx6 n GLY 30 N 1.66 0.74 3.54 7.39 0.00 -1.24 -4.91 105.19 112.38 1cx6 n GLY 30 Ca 0.26 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1cx6 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cx6 s HIS 31 N -2.20 2.85 0.13 1.61 5.04 -0.44 -4.92 115.29 117.37 1cx6 s HIS 31 Ca 0.00 0.19 -0.31 0.00 -1.54 0.00 0.00 55.06 53.40 1cx6 s HIS 31 Cb 0.00 -4.02 -0.07 0.00 0.04 0.00 0.00 32.58 28.52 1cx6 s HIS 31 CO 0.00 -1.23 1.29 -1.17 -2.34 0.00 0.00 174.74 171.29 1cx6 s LEU 32 N 3.87 4.39 -0.20 8.88 2.96 -1.26 -1.84 118.68 135.48 1cx6 s LEU 32 Ca 0.34 2.24 -0.12 0.00 -0.22 0.00 0.00 54.13 56.36 1cx6 s LEU 32 Cb -0.11 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 1cx6 s LEU 32 CO 0.23 -0.53 0.10 0.18 -1.32 0.00 0.00 176.35 175.01 1cx6 n LEU 33 N 3.43 2.29 -3.58 -0.68 4.77 0.07 -4.97 117.00 118.32 1cx6 n LEU 33 Ca 0.08 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1cx6 n LEU 33 Cb 0.44 -0.98 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1cx6 n LEU 33 CO 0.57 0.61 0.83 0.28 -1.33 0.00 0.00 177.39 178.35 1cx6 s THR 34 N -2.47 0.00 -1.85 -5.08 -1.32 -1.20 -4.93 115.64 98.79 1cx6 s THR 34 Ca -0.29 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.44 1cx6 s THR 34 Cb 0.08 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.24 1cx6 s THR 34 CO 0.63 0.00 1.40 0.29 -2.21 0.00 0.00 174.62 174.73 1cx6 n LYS 35 N 0.57 0.97 -2.18 7.08 5.02 -1.26 -2.92 118.16 125.43 1cx6 n LYS 35 Ca -0.08 -0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 55.22 1cx6 n LYS 35 Cb 0.58 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1cx6 n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cx6 s SER 36 N -2.49 6.23 0.00 4.39 1.04 -1.26 -4.93 113.70 116.68 1cx6 s SER 36 Ca 0.22 1.64 0.27 0.00 0.48 0.00 0.00 55.95 58.57 1cx6 s SER 36 Cb 0.19 -2.51 1.38 0.00 0.10 0.00 0.00 66.02 65.18 1cx6 s SER 36 CO 0.54 -0.86 1.94 -0.81 0.98 0.00 0.00 173.24 175.03 1cx6 n PRO 37 N -1.92 0.38 -2.62 4.02 -0.04 -1.26 -4.67 135.00 128.89 1cx6 n PRO 37 Ca 0.07 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1cx6 n PRO 37 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1cx6 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cx6 s SER 38 N -2.58 7.22 0.51 3.54 0.15 -1.26 -4.90 113.70 116.38 1cx6 s SER 38 Ca 0.26 1.68 0.29 0.00 0.70 0.00 0.00 55.95 58.88 1cx6 s SER 38 Cb 0.18 -2.56 1.28 0.00 -1.71 0.00 0.00 66.02 63.21 1cx6 s SER 38 CO 0.42 -0.42 1.97 0.25 1.20 0.00 0.00 173.24 176.66 1cx6 h LEU 39 N 7.56 0.00 0.01 3.45 5.85 -2.00 -2.34 115.31 127.84 1cx6 h LEU 39 Ca -0.36 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.09 1cx6 h LEU 39 Cb 1.18 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.23 1cx6 h LEU 39 CO 0.83 0.13 -1.07 0.78 -0.34 0.00 0.00 178.44 178.76 1cx6 h ASN 40 N 0.00 0.92 -0.42 1.25 2.35 -1.98 -0.23 115.58 117.47 1cx6 h ASN 40 Ca -0.00 -0.75 0.08 0.00 -0.55 0.00 0.00 56.30 55.08 1cx6 h ASN 40 Cb 0.52 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.53 1cx6 h ASN 40 CO 0.02 1.55 -0.09 0.00 -1.65 0.00 0.00 177.43 177.26 1cx6 h ALA 41 N 0.39 0.30 -0.18 -0.83 0.00 -1.92 0.18 119.26 117.19 1cx6 h ALA 41 Ca -0.14 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1cx6 h ALA 41 Cb 1.73 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1cx6 h ALA 41 CO 0.21 -0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.04 1cx6 h ALA 42 N 1.41 0.17 -0.40 0.00 0.00 -0.95 0.76 119.26 120.26 1cx6 h ALA 42 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cx6 h ALA 42 Cb 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cx6 h ALA 42 CO -0.42 -0.42 0.19 0.87 0.00 0.00 0.00 179.25 179.47 1cx6 h LYS 43 N 0.09 0.55 -0.23 0.00 1.57 -0.43 0.40 116.57 118.51 1cx6 h LYS 43 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1cx6 h LYS 43 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1cx6 h LYS 43 CO -0.13 0.43 -0.10 1.03 -0.57 0.00 0.00 179.45 180.12 1cx6 h SER 44 N 0.55 0.48 -0.87 0.86 0.87 0.16 -1.34 113.55 114.27 1cx6 h SER 44 Ca 0.14 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1cx6 h SER 44 Cb 0.06 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1cx6 h SER 44 CO -0.02 0.77 0.46 -0.33 -0.53 0.00 0.00 176.83 177.18 1cx6 h GLU 45 N 0.18 1.23 -0.71 2.24 4.39 -0.22 -0.73 114.58 120.97 1cx6 h GLU 45 Ca 0.05 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1cx6 h GLU 45 Cb 0.59 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1cx6 h GLU 45 CO 0.03 0.91 0.46 1.25 -1.16 0.00 0.00 179.01 180.50 1cx6 h LEU 46 N 1.23 0.77 -0.72 1.33 5.85 0.05 -2.11 115.31 121.70 1cx6 h LEU 46 Ca 0.30 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 1cx6 h LEU 46 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1cx6 h LEU 46 CO -0.05 0.54 -0.36 0.44 -0.34 0.00 0.00 178.44 178.68 1cx6 h ASP 47 N 0.91 0.60 -0.88 1.25 3.32 -0.61 -1.27 116.42 119.75 1cx6 h ASP 47 Ca 0.27 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1cx6 h ASP 47 Cb -0.04 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1cx6 h ASP 47 CO -0.09 0.91 0.52 0.50 -1.72 0.00 0.00 179.24 179.36 1cx6 h LYS 48 N 0.49 1.20 0.06 3.56 3.64 -0.96 0.10 116.57 124.65 1cx6 h LYS 48 Ca 0.05 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 59.08 1cx6 h LYS 48 Cb 0.84 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1cx6 h LYS 48 CO 0.07 0.85 -1.08 0.00 -2.27 0.00 0.00 179.45 177.02 1cx6 h ALA 49 N 1.35 0.27 0.00 5.00 0.00 -0.98 -3.28 119.26 121.63 1cx6 h ALA 49 Ca 0.31 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1cx6 h ALA 49 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1cx6 h ALA 49 CO -0.06 1.06 -1.11 0.82 0.00 0.00 0.00 179.25 179.96 1cx6 h ILE 50 N 0.05 0.78 -0.12 0.00 1.08 -1.16 -3.49 117.51 114.66 1cx6 h ILE 50 Ca -0.07 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.12 1cx6 h ILE 50 Cb 1.80 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.83 1cx6 h ILE 50 CO 0.16 0.44 0.00 0.61 -0.69 0.00 0.00 178.15 178.67 1cx6 n GLY 51 N 1.35 0.71 3.86 5.37 0.00 0.33 -5.05 105.19 111.77 1cx6 n GLY 51 Ca -0.06 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 1cx6 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx6 s ARG 52 N -3.55 1.67 -0.59 1.61 1.70 -1.04 -5.07 118.95 113.69 1cx6 s ARG 52 Ca 0.00 -1.08 -0.18 0.00 -0.47 0.00 0.00 55.73 54.00 1cx6 s ARG 52 Cb 0.00 0.46 0.11 0.00 -0.57 0.00 0.00 34.95 34.96 1cx6 s ARG 52 CO 0.00 -0.78 0.66 1.21 -1.08 0.00 0.00 175.30 175.30 1cx6 s ASN 53 N -3.31 6.20 0.11 -2.89 2.47 -1.26 -4.42 114.94 111.84 1cx6 s ASN 53 Ca 0.20 -1.56 0.17 0.00 0.42 0.00 0.00 52.86 52.08 1cx6 s ASN 53 Cb -0.04 -2.28 -0.09 0.00 -1.45 0.00 0.00 41.25 37.39 1cx6 s ASN 53 CO 0.08 -1.04 0.95 0.71 -3.72 0.00 0.00 177.10 174.08 1cx6 h THR 54 N 5.89 0.55 -3.08 -5.21 1.35 -1.92 -3.48 112.91 107.01 1cx6 h THR 54 Ca -0.28 -2.00 -0.39 0.00 -0.55 0.00 0.00 66.41 63.19 1cx6 h THR 54 Cb 1.09 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1cx6 h THR 54 CO 1.08 0.31 -0.52 -3.20 -0.25 0.00 0.00 175.52 172.94 1cx6 n ASN 55 N -2.94 -5.71 0.00 5.36 5.15 -1.26 -2.21 115.26 113.65 1cx6 n ASN 55 Ca -0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1cx6 n ASN 55 Cb 0.81 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.36 1cx6 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cx6 n GLY 56 N -1.11 0.86 3.13 8.20 0.00 -1.26 -5.03 105.19 109.98 1cx6 n GLY 56 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1cx6 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cx6 s VAL 57 N -3.43 1.37 0.34 1.61 1.01 -0.94 -2.46 120.40 117.90 1cx6 s VAL 57 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1cx6 s VAL 57 Cb 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.14 1cx6 s VAL 57 CO 0.00 0.39 0.03 0.27 0.00 0.00 0.00 175.10 175.79 1cx6 s ILE 58 N -0.03 1.49 0.68 2.22 -4.36 -0.88 -4.73 121.20 115.58 1cx6 s ILE 58 Ca -0.02 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.32 1cx6 s ILE 58 Cb -0.10 -2.80 0.08 0.00 1.25 0.00 0.00 42.46 40.88 1cx6 s ILE 58 CO 0.02 -0.04 0.96 0.42 0.24 0.00 0.00 174.94 176.53 1cx6 s THR 59 N -3.09 2.35 0.25 8.37 -4.23 -1.26 -4.80 115.64 113.23 1cx6 s THR 59 Ca 0.35 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.38 1cx6 s THR 59 Cb 0.08 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 71.15 1cx6 s THR 59 CO 0.16 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.51 1cx6 h LYS 60 N -0.44 0.92 -0.60 3.99 3.64 -1.99 -1.79 116.57 120.30 1cx6 h LYS 60 Ca -0.42 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 58.66 1cx6 h LYS 60 Cb 1.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1cx6 h LYS 60 CO 0.52 0.84 0.05 -0.44 -2.27 0.00 0.00 179.45 178.15 1cx6 h ASP 61 N 0.87 0.99 -0.49 4.20 3.32 -1.99 -1.30 116.42 122.02 1cx6 h ASP 61 Ca 0.18 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1cx6 h ASP 61 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1cx6 h ASP 61 CO 0.01 1.03 0.29 -0.33 -1.72 0.00 0.00 179.24 178.51 1cx6 h GLU 62 N 0.92 0.67 -0.57 3.56 5.08 -1.88 -0.49 114.58 121.87 1cx6 h GLU 62 Ca 0.18 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1cx6 h GLU 62 Cb 0.49 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1cx6 h GLU 62 CO 0.02 0.50 0.33 0.00 -1.00 0.00 0.00 179.01 178.86 1cx6 h ALA 63 N 1.13 0.74 -0.10 3.43 0.00 -0.95 -0.66 119.26 122.86 1cx6 h ALA 63 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1cx6 h ALA 63 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cx6 h ALA 63 CO -0.03 0.02 -0.37 0.93 0.00 0.00 0.00 179.25 179.80 1cx6 h GLU 64 N 0.63 0.22 -0.08 0.00 5.08 -1.11 0.21 114.58 119.52 1cx6 h GLU 64 Ca 0.24 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1cx6 h GLU 64 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1cx6 h GLU 64 CO -0.13 0.56 0.01 -0.22 -1.00 0.00 0.00 179.01 178.23 1cx6 h LYS 65 N 0.19 0.14 -0.91 2.33 3.64 -0.46 -1.36 116.57 120.14 1cx6 h LYS 65 Ca 0.02 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1cx6 h LYS 65 Cb 0.74 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1cx6 h LYS 65 CO 0.06 0.37 0.57 -0.07 -2.27 0.00 0.00 179.45 178.10 1cx6 h LEU 66 N -0.10 0.90 -0.52 5.20 3.38 -0.82 -2.48 115.31 120.86 1cx6 h LEU 66 Ca 0.03 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1cx6 h LEU 66 Cb 0.30 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1cx6 h LEU 66 CO 0.00 0.57 0.30 0.15 0.09 0.00 0.00 178.44 179.56 1cx6 h PHE 67 N 1.03 0.56 -0.49 1.13 3.57 -0.71 0.11 116.94 122.14 1cx6 h PHE 67 Ca 0.40 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.95 1cx6 h PHE 67 Cb 0.18 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1cx6 h PHE 67 CO -0.02 0.31 0.26 -0.91 -2.23 0.00 0.00 178.31 175.71 1cx6 h ASN 68 N 0.60 0.37 -0.57 0.41 2.35 -0.97 0.18 115.58 117.95 1cx6 h ASN 68 Ca 0.22 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1cx6 h ASN 68 Cb 0.05 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1cx6 h ASN 68 CO -0.11 0.26 0.27 1.56 -1.65 0.00 0.00 177.43 177.76 1cx6 h GLN 69 N 0.50 0.83 -0.53 0.81 4.20 -1.02 -0.81 115.11 119.10 1cx6 h GLN 69 Ca 0.21 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1cx6 h GLN 69 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1cx6 h GLN 69 CO -0.14 0.69 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.23 1cx6 h ASP 70 N 0.78 0.90 -0.18 1.46 3.32 -0.28 -1.40 116.42 121.03 1cx6 h ASP 70 Ca 0.20 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1cx6 h ASP 70 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1cx6 h ASP 70 CO -0.02 0.98 -0.02 0.58 -1.72 0.00 0.00 179.24 179.04 1cx6 h VAL 71 N 0.84 1.27 -0.47 -1.35 2.07 -0.70 -1.82 116.25 116.09 1cx6 h VAL 71 Ca 0.15 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.78 1cx6 h VAL 71 Cb 0.55 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1cx6 h VAL 71 CO 0.03 0.28 0.18 -0.78 0.02 0.00 0.00 177.57 177.30 1cx6 h ASP 72 N 0.06 0.20 -0.75 0.57 3.58 -1.12 -0.92 116.42 118.05 1cx6 h ASP 72 Ca 0.05 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1cx6 h ASP 72 Cb 0.44 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 1cx6 h ASP 72 CO 0.01 0.15 0.50 0.00 -2.88 0.00 0.00 179.24 177.01 1cx6 h ALA 73 N 1.30 1.47 -0.30 -0.78 0.00 -1.16 -0.87 119.26 118.93 1cx6 h ALA 73 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1cx6 h ALA 73 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1cx6 h ALA 73 CO -0.22 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 1cx6 h ALA 74 N 1.54 0.40 0.46 0.00 0.00 -0.32 0.44 119.26 121.78 1cx6 h ALA 74 Ca 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cx6 h ALA 74 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cx6 h ALA 74 CO -0.06 0.18 -0.36 0.28 0.00 0.00 0.00 179.25 179.28 1cx6 h VAL 75 N 0.32 0.26 -1.00 0.00 2.07 -0.95 -2.21 116.25 114.74 1cx6 h VAL 75 Ca 0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.81 1cx6 h VAL 75 Cb 0.48 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1cx6 h VAL 75 CO 0.02 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.25 1cx6 h ARG 76 N -0.82 0.67 -0.68 1.57 2.47 -1.18 -0.95 114.38 115.45 1cx6 h ARG 76 Ca -0.05 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1cx6 h ARG 76 Cb 0.70 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1cx6 h ARG 76 CO -0.00 0.44 0.45 0.78 0.56 0.00 0.00 179.97 182.19 1cx6 h GLY 77 N 0.69 0.97 0.91 0.04 0.00 -0.32 -0.99 103.07 104.36 1cx6 h GLY 77 Ca 0.59 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1cx6 h GLY 77 CO -0.39 0.36 -0.18 -2.22 0.00 0.00 0.00 176.54 174.11 1cx6 h ILE 78 N 0.93 0.62 -0.13 2.60 2.04 -0.68 -1.28 117.51 121.61 1cx6 h ILE 78 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1cx6 h ILE 78 Cb -0.09 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1cx6 h ILE 78 CO -0.05 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.08 1cx6 h LEU 79 N -0.45 0.15 0.00 1.44 3.38 -1.01 -0.39 115.31 118.43 1cx6 h LEU 79 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cx6 h LEU 79 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1cx6 h LEU 79 CO 0.03 0.14 -0.09 0.03 0.09 0.00 0.00 178.44 178.64 1cx6 h ARG 80 N 0.18 0.00 -6.11 1.13 3.08 -0.80 -3.45 114.38 108.40 1cx6 h ARG 80 Ca 0.05 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.53 1cx6 h ARG 80 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1cx6 h ARG 80 CO -0.01 0.00 0.49 1.21 -1.07 0.00 0.00 179.97 180.59 1cx6 s ASN 81 N -5.35 7.11 0.39 7.04 3.84 -0.16 -4.94 114.94 122.88 1cx6 s ASN 81 Ca 0.08 1.36 0.11 0.00 0.21 0.00 0.00 52.86 54.63 1cx6 s ASN 81 Cb 0.09 -2.51 0.81 0.00 -0.55 0.00 0.00 41.25 39.09 1cx6 s ASN 81 CO 0.65 -0.43 1.90 0.00 -2.79 0.00 0.00 177.10 176.44 1cx6 h ALA 82 N 7.20 1.51 -0.41 1.71 0.00 -1.87 -0.31 119.26 127.08 1cx6 h ALA 82 Ca -0.30 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1cx6 h ALA 82 Cb 1.14 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1cx6 h ALA 82 CO 0.85 0.36 0.24 1.63 0.00 0.00 0.00 179.25 182.32 1cx6 n LYS 83 N -4.24 1.81 0.00 0.00 4.01 -1.26 -4.54 118.16 113.95 1cx6 n LYS 83 Ca -0.01 -1.37 0.00 0.00 -0.51 0.00 0.00 58.31 56.41 1cx6 n LYS 83 Cb 0.30 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1cx6 n LYS 83 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1cx6 n LYS 85 N -0.14 0.00 0.17 1.97 4.81 -0.13 -4.29 118.16 120.55 1cx6 n LYS 85 Ca 0.24 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.71 1cx6 n LYS 85 Cb 0.96 0.00 0.25 0.00 0.02 0.00 0.00 35.03 36.27 1cx6 n LYS 85 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1cx6 h PRO 86 N 0.00 0.00 -0.09 1.64 0.13 -1.83 0.24 132.00 132.08 1cx6 h PRO 86 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1cx6 h PRO 86 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cx6 h PRO 86 CO 0.00 0.47 -0.31 0.28 -0.23 0.00 0.00 178.00 178.21 1cx6 h VAL 87 N 0.00 1.40 -0.65 1.56 2.07 -1.94 -2.64 116.25 116.05 1cx6 h VAL 87 Ca -0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1cx6 h VAL 87 Cb 1.01 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 1cx6 h VAL 87 CO 0.06 0.48 0.35 0.22 0.02 0.00 0.00 177.57 178.70 1cx6 h TYR 88 N -0.09 0.89 0.00 1.57 3.20 -1.84 -0.71 116.97 120.00 1cx6 h TYR 88 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1cx6 h TYR 88 Cb 0.94 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1cx6 h TYR 88 CO 0.12 0.65 0.00 -0.44 -1.64 0.00 0.00 178.16 176.84 1cx6 h ASP 89 N 0.88 0.00 -0.21 -2.11 3.32 -0.50 -3.45 116.42 114.35 1cx6 h ASP 89 Ca 0.23 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1cx6 h ASP 89 Cb 0.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1cx6 h ASP 89 CO -0.04 0.00 0.12 -1.54 -1.72 0.00 0.00 179.24 176.06 1cx6 n SER 90 N -2.75 2.91 -4.94 6.45 3.41 -0.28 -5.07 113.62 113.36 1cx6 n SER 90 Ca 0.01 -2.34 -0.22 0.00 -0.26 0.00 0.00 58.87 56.06 1cx6 n SER 90 Cb 0.23 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1cx6 n SER 90 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1cx6 s ASP 92 N 0.30 4.97 0.30 4.04 1.47 -1.26 -5.09 116.67 121.39 1cx6 s ASP 92 Ca 0.13 -0.92 -0.00 0.00 1.18 0.00 0.00 52.55 52.95 1cx6 s ASP 92 Cb 0.11 -0.02 0.46 0.00 -0.34 0.00 0.00 42.92 43.13 1cx6 s ASP 92 CO 0.03 -0.99 1.86 0.00 0.68 0.00 0.00 175.17 176.74 1cx6 h ALA 93 N 0.68 1.28 -0.22 2.11 0.00 -1.97 -1.17 119.26 119.97 1cx6 h ALA 93 Ca -0.37 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1cx6 h ALA 93 Cb 1.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1cx6 h ALA 93 CO 0.52 0.51 -0.27 0.28 0.00 0.00 0.00 179.25 180.30 1cx6 h VAL 94 N 0.77 1.32 -0.44 0.00 2.07 -1.97 -2.37 116.25 115.64 1cx6 h VAL 94 Ca 0.18 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 1cx6 h VAL 94 Cb 0.24 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1cx6 h VAL 94 CO -0.01 0.45 -0.05 0.03 0.02 0.00 0.00 177.57 178.01 1cx6 h ARG 95 N 0.26 0.75 -0.90 1.57 3.08 -1.75 -1.93 114.38 115.46 1cx6 h ARG 95 Ca 0.03 -0.22 0.12 0.00 0.07 0.00 0.00 59.98 59.98 1cx6 h ARG 95 Cb 0.83 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 1cx6 h ARG 95 CO 0.06 0.79 0.52 0.00 -1.07 0.00 0.00 179.97 180.28 1cx6 h ARG 96 N 0.70 0.79 -0.35 0.04 3.08 -1.15 -2.05 114.38 115.43 1cx6 h ARG 96 Ca 0.13 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1cx6 h ARG 96 Cb 0.50 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1cx6 h ARG 96 CO 0.03 0.52 0.18 0.00 -1.07 0.00 0.00 179.97 179.63 1cx6 h ALA 97 N 1.52 0.44 0.00 0.04 0.00 -0.82 0.20 119.26 120.64 1cx6 h ALA 97 Ca 0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1cx6 h ALA 97 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cx6 h ALA 97 CO -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.78 1cx6 n ALA 98 N -2.26 1.13 0.00 0.00 0.00 -0.77 -1.17 120.51 117.44 1cx6 n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx6 n ALA 98 Cb 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1cx6 n ALA 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1cx6 n ILE 100 N 0.75 0.00 0.00 0.00 5.41 0.06 -4.76 119.36 120.82 1cx6 n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1cx6 n ILE 100 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1cx6 n ILE 100 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1cx6 n ASN 101 N 0.00 0.00 0.00 4.38 2.85 -0.31 -0.60 115.26 121.58 1cx6 n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1cx6 n ASN 101 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1cx6 n ASN 101 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1cx6 n VAL 103 N 0.71 0.00 -0.29 3.44 0.31 -1.26 -1.36 118.33 119.88 1cx6 n VAL 103 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1cx6 n VAL 103 Cb 0.00 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.09 1cx6 n VAL 103 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1cx6 h PHE 104 N 0.00 1.11 -0.02 3.52 3.57 -1.23 0.30 116.94 124.19 1cx6 h PHE 104 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1cx6 h PHE 104 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1cx6 h PHE 104 CO 0.00 0.74 0.00 0.94 -2.23 0.00 0.00 178.31 177.76 1cx6 n GLN 105 N -4.37 1.11 -3.56 1.11 7.27 -0.46 -5.07 117.38 113.41 1cx6 n GLN 105 Ca 0.09 -0.17 -0.07 0.00 0.07 0.00 0.00 57.00 56.92 1cx6 n GLN 105 Cb 0.06 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.30 1cx6 n GLN 105 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1cx6 s GLY 107 N -1.74 -0.33 0.34 1.69 0.00 0.10 -5.11 107.32 102.27 1cx6 s GLY 107 Ca 0.35 1.56 0.10 0.00 0.00 0.00 0.00 44.72 46.73 1cx6 s GLY 107 CO 0.28 0.61 1.78 0.83 0.00 0.00 0.00 173.10 176.60 1cx6 h GLU 108 N 2.14 0.62 -0.61 2.90 5.08 -1.98 -0.56 114.58 122.16 1cx6 h GLU 108 Ca -0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1cx6 h GLU 108 Cb 1.19 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1cx6 h GLU 108 CO 0.28 0.41 0.39 1.79 -1.00 0.00 0.00 179.01 180.88 1cx6 h THR 109 N 0.64 1.16 0.10 1.13 1.35 -1.98 0.17 112.91 115.48 1cx6 h THR 109 Ca 0.57 -0.31 -0.27 0.00 -0.55 0.00 0.00 66.41 65.85 1cx6 h THR 109 Cb 1.06 0.28 0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1cx6 h THR 109 CO -0.35 0.16 -1.18 1.23 -0.25 0.00 0.00 175.52 175.14 1cx6 h GLY 110 N 0.83 0.41 1.66 5.82 0.00 -1.62 -3.24 103.07 106.92 1cx6 h GLY 110 Ca 0.22 -0.92 -0.14 0.00 0.00 0.00 0.00 47.33 46.49 1cx6 h GLY 110 CO -0.05 0.81 -0.51 -2.08 0.00 0.00 0.00 176.54 174.71 1cx6 h VAL 111 N 0.14 1.34 -1.26 4.60 2.07 -1.10 -2.46 116.25 119.58 1cx6 h VAL 111 Ca -0.13 -1.76 0.37 0.00 0.82 0.00 0.00 66.70 66.00 1cx6 h VAL 111 Cb 1.87 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 33.38 1cx6 h VAL 111 CO 0.20 0.53 0.91 0.00 0.02 0.00 0.00 177.57 179.23 1cx6 h ALA 112 N 1.17 3.17 -0.07 1.67 0.00 -0.68 -1.31 119.26 123.21 1cx6 h ALA 112 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cx6 h ALA 112 Cb 1.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cx6 h ALA 112 CO 0.09 -1.54 0.00 0.41 0.00 0.00 0.00 179.25 178.21 1cx6 n GLY 113 N -1.77 -0.57 1.90 0.00 0.00 -0.92 -3.90 105.19 99.92 1cx6 n GLY 113 Ca 0.28 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1cx6 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cx6 n PHE 114 N -0.34 2.46 -0.25 1.61 3.01 -0.49 -4.71 117.46 118.75 1cx6 n PHE 114 Ca 0.09 -1.76 -0.01 0.00 1.01 0.00 0.00 57.45 56.78 1cx6 n PHE 114 Cb 0.12 -0.81 0.06 0.00 -0.01 0.00 0.00 39.48 38.84 1cx6 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1cx6 h THR 115 N 1.04 0.21 -0.35 4.37 2.02 -1.79 -0.73 112.91 117.67 1cx6 h THR 115 Ca 0.51 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.67 1cx6 h THR 115 Cb 2.50 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1cx6 h THR 115 CO 0.88 0.00 0.18 0.78 0.37 0.00 0.00 175.52 177.73 1cx6 h ASN 116 N -0.05 0.46 0.00 4.18 2.35 -1.94 0.29 115.58 120.87 1cx6 h ASN 116 Ca 0.32 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1cx6 h ASN 116 Cb 0.55 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1cx6 h ASN 116 CO -0.76 0.45 0.00 -1.20 -1.65 0.00 0.00 177.43 174.27 1cx6 n SER 117 N -4.74 0.32 -2.52 5.81 7.64 -0.28 -5.04 113.62 114.82 1cx6 n SER 117 Ca -0.01 -0.23 -0.15 0.00 1.01 0.00 0.00 58.87 59.50 1cx6 n SER 117 Cb 0.10 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1cx6 n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1cx6 n ARG 119 N 0.91 -0.77 0.00 1.43 1.74 0.10 -4.87 116.66 115.20 1cx6 n ARG 119 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1cx6 n ARG 119 Cb 0.05 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1cx6 n ARG 119 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1cx6 n GLN 122 N -0.66 0.00 -0.05 5.56 7.27 -1.26 -4.74 117.38 123.49 1cx6 n GLN 122 Ca -0.08 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.09 1cx6 n GLN 122 Cb 0.30 -0.12 0.43 0.00 2.41 0.00 0.00 30.24 33.26 1cx6 n GLN 122 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1cx6 n GLN 123 N 0.00 1.47 -1.29 3.69 6.02 -1.26 -4.91 117.38 121.11 1cx6 n GLN 123 Ca 0.00 -0.71 -0.10 0.00 -0.01 0.00 0.00 57.00 56.18 1cx6 n GLN 123 Cb 0.00 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 1cx6 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1cx6 n LYS 124 N -0.07 -0.78 -2.61 -1.09 5.02 -1.26 -4.94 118.16 112.43 1cx6 n LYS 124 Ca 0.15 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.84 1cx6 n LYS 124 Cb 0.24 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1cx6 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1cx6 n ARG 125 N -2.54 3.45 0.06 1.97 1.74 -1.26 -4.85 116.66 115.23 1cx6 n ARG 125 Ca -0.10 -3.63 -0.12 0.00 -0.77 0.00 0.00 57.85 53.24 1cx6 n ARG 125 Cb 0.35 -3.02 -0.06 0.00 -1.02 0.00 0.00 32.46 28.71 1cx6 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1cx6 h TRP 126 N 6.49 -0.18 -0.90 -1.55 4.06 -1.92 -1.31 115.95 120.65 1cx6 h TRP 126 Ca 0.37 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.32 1cx6 h TRP 126 Cb 0.75 0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.95 1cx6 h TRP 126 CO 1.20 -0.11 0.53 -0.44 -3.56 0.00 0.00 178.44 176.06 1cx6 h ASP 127 N -0.14 1.09 -0.33 -3.49 5.19 -1.89 -0.99 116.42 115.86 1cx6 h ASP 127 Ca 0.02 -0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 56.21 1cx6 h ASP 127 Cb 0.16 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 1cx6 h ASP 127 CO -0.05 0.84 -0.35 -0.33 -3.12 0.00 0.00 179.24 176.23 1cx6 h GLU 128 N 1.24 0.82 -0.87 3.56 5.08 -1.94 -1.87 114.58 120.60 1cx6 h GLU 128 Ca 0.32 -0.44 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1cx6 h GLU 128 Cb -0.03 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1cx6 h GLU 128 CO -0.06 1.08 0.57 0.00 -1.00 0.00 0.00 179.01 179.60 1cx6 h ALA 129 N 0.73 1.41 -0.54 3.43 0.00 -0.87 0.10 119.26 123.53 1cx6 h ALA 129 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1cx6 h ALA 129 Cb 0.93 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1cx6 h ALA 129 CO 0.09 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.89 1cx6 h ALA 130 N 1.47 1.02 -0.11 0.00 0.00 -0.84 -2.20 119.26 118.61 1cx6 h ALA 130 Ca 0.33 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1cx6 h ALA 130 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1cx6 h ALA 130 CO -0.08 0.61 -0.29 0.28 0.00 0.00 0.00 179.25 179.77 1cx6 h VAL 131 N 0.84 1.39 0.00 0.00 2.07 -1.05 -3.05 116.25 116.44 1cx6 h VAL 131 Ca 0.16 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1cx6 h VAL 131 Cb 0.47 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1cx6 h VAL 131 CO 0.02 0.47 0.00 -3.20 0.02 0.00 0.00 177.57 174.88 1cx6 n ASN 132 N -4.42 0.00 0.00 0.57 2.85 -0.00 -3.67 115.26 110.58 1cx6 n ASN 132 Ca -0.07 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 1cx6 n ASN 132 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1cx6 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cx6 n ALA 134 N 1.67 0.00 -2.06 5.20 0.00 -1.15 -4.65 120.51 119.52 1cx6 n ALA 134 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1cx6 n ALA 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cx6 n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cx6 n LYS 135 N 0.00 3.35 -3.50 0.00 5.02 -1.24 -4.67 118.16 117.12 1cx6 n LYS 135 Ca 0.00 -3.13 -0.12 0.00 -2.02 0.00 0.00 58.31 53.04 1cx6 n LYS 135 Cb 0.00 -3.06 -0.03 0.00 -0.02 0.00 0.00 35.03 31.92 1cx6 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cx6 s SER 136 N 1.78 -0.46 0.33 4.39 1.04 -1.26 -4.99 113.70 114.53 1cx6 s SER 136 Ca 0.44 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1cx6 s SER 136 Cb 0.12 0.55 0.59 0.00 0.10 0.00 0.00 66.02 67.38 1cx6 s SER 136 CO -0.04 -0.91 1.92 -0.09 0.98 0.00 0.00 173.24 175.10 1cx6 h ARG 137 N 2.19 0.68 -0.35 4.02 2.43 -1.99 -2.57 114.38 118.80 1cx6 h ARG 137 Ca -0.34 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 58.81 1cx6 h ARG 137 Cb 1.28 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 1cx6 h ARG 137 CO 0.41 0.58 -0.26 2.35 -1.51 0.00 0.00 179.97 181.54 1cx6 h TRP 138 N 0.68 -0.70 -0.63 2.20 7.01 -1.94 0.43 115.95 122.99 1cx6 h TRP 138 Ca 0.16 0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 1cx6 h TRP 138 Cb 0.17 0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 1cx6 h TRP 138 CO 0.01 -0.34 0.14 -0.92 -2.79 0.00 0.00 178.44 174.54 1cx6 h TYR 139 N -0.22 1.04 0.00 2.65 3.20 -1.76 -1.30 116.97 120.58 1cx6 h TYR 139 Ca 0.17 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 1cx6 h TYR 139 Cb 0.49 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1cx6 h TYR 139 CO -0.46 0.87 -0.53 -0.91 -1.64 0.00 0.00 178.16 175.48 1cx6 h ASN 140 N 0.95 0.00 0.20 -2.11 4.21 -0.91 -2.68 115.58 115.24 1cx6 h ASN 140 Ca 0.20 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.39 1cx6 h ASN 140 Cb 0.36 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.58 1cx6 h ASN 140 CO 0.00 0.53 -1.52 1.56 -1.29 0.00 0.00 177.43 176.72 1cx6 h GLN 141 N 0.00 0.43 -2.26 0.81 1.08 0.07 -3.41 115.11 111.84 1cx6 h GLN 141 Ca -0.01 -0.74 -0.59 0.00 -1.45 0.00 0.00 58.65 55.87 1cx6 h GLN 141 Cb 0.95 0.27 -0.40 0.00 -0.05 0.00 0.00 27.48 28.25 1cx6 h GLN 141 CO 0.07 1.35 -0.85 0.25 -0.95 0.00 0.00 178.83 178.70 1cx6 n THR 142 N -3.73 0.51 -0.18 -0.54 -2.24 -0.51 -4.98 114.28 102.60 1cx6 n THR 142 Ca -0.21 -4.42 -0.10 0.00 -2.27 0.00 0.00 64.05 57.06 1cx6 n THR 142 Cb 1.04 -1.99 0.01 0.00 -2.10 0.00 0.00 70.33 67.29 1cx6 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1cx6 h PRO 143 N 4.49 0.88 -0.53 -0.78 0.13 -1.68 -1.24 132.00 133.27 1cx6 h PRO 143 Ca 0.15 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1cx6 h PRO 143 Cb 0.80 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1cx6 h PRO 143 CO 0.60 0.90 0.21 -0.91 -0.23 0.00 0.00 178.00 178.58 1cx6 h ASN 144 N 0.75 0.73 -0.26 1.44 2.35 -1.94 0.28 115.58 118.93 1cx6 h ASN 144 Ca 0.14 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1cx6 h ASN 144 Cb 0.50 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1cx6 h ASN 144 CO 0.02 0.70 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.36 1cx6 h ARG 145 N 0.72 0.51 -0.45 0.81 2.43 -1.96 -2.09 114.38 114.34 1cx6 h ARG 145 Ca 0.18 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1cx6 h ARG 145 Cb 0.20 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1cx6 h ARG 145 CO -0.01 0.72 0.09 0.00 -1.51 0.00 0.00 179.97 179.25 1cx6 h ALA 146 N 0.77 0.49 -0.64 2.80 0.00 -0.93 -0.20 119.26 121.56 1cx6 h ALA 146 Ca 0.07 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1cx6 h ALA 146 Cb 0.53 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1cx6 h ALA 146 CO 0.03 -0.31 0.31 0.87 0.00 0.00 0.00 179.25 180.15 1cx6 h LYS 147 N 0.22 0.55 -0.38 0.00 1.57 -0.30 0.24 116.57 118.47 1cx6 h LYS 147 Ca 0.22 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1cx6 h LYS 147 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1cx6 h LYS 147 CO -0.29 0.36 0.24 0.00 -0.57 0.00 0.00 179.45 179.19 1cx6 h ARG 148 N 0.56 0.47 -0.38 3.15 3.08 -0.38 -0.61 114.38 120.27 1cx6 h ARG 148 Ca 0.31 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 1cx6 h ARG 148 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1cx6 h ARG 148 CO -0.24 0.31 0.01 0.28 -1.07 0.00 0.00 179.97 179.27 1cx6 h VAL 149 N 0.48 1.26 -0.73 2.04 2.07 -0.68 -2.31 116.25 118.37 1cx6 h VAL 149 Ca 0.14 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1cx6 h VAL 149 Cb -0.03 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1cx6 h VAL 149 CO -0.05 0.33 0.46 0.40 0.02 0.00 0.00 177.57 178.73 1cx6 h ILE 150 N 0.48 1.10 -0.36 4.57 2.04 -0.87 -2.18 117.51 122.28 1cx6 h ILE 150 Ca 0.11 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1cx6 h ILE 150 Cb 0.45 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1cx6 h ILE 150 CO 0.02 0.16 -0.07 0.74 0.00 0.00 0.00 178.15 179.00 1cx6 h THR 151 N 0.90 1.23 0.00 -0.27 2.02 -0.93 0.16 112.91 116.02 1cx6 h THR 151 Ca 0.30 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1cx6 h THR 151 Cb 0.03 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1cx6 h THR 151 CO -0.11 0.34 0.00 0.41 0.37 0.00 0.00 175.52 176.52 1cx6 n THR 152 N -4.21 0.13 0.00 3.16 -1.04 -0.82 -0.83 114.28 110.67 1cx6 n THR 152 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1cx6 n THR 152 Cb 0.31 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1cx6 n THR 152 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1cx6 n ARG 154 N 0.48 0.00 0.03 -2.82 0.63 0.54 -0.63 116.66 114.89 1cx6 n ARG 154 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1cx6 n ARG 154 Cb 0.13 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.95 1cx6 n ARG 154 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1cx6 h THR 155 N 0.00 0.65 -0.33 5.15 1.35 -1.23 -3.45 112.91 115.05 1cx6 h THR 155 Ca 0.00 -2.20 -0.14 0.00 -0.55 0.00 0.00 66.41 63.52 1cx6 h THR 155 Cb 0.00 2.18 -0.06 0.00 -1.73 0.00 0.00 68.15 68.54 1cx6 h THR 155 CO 0.00 0.37 -0.13 0.61 -0.25 0.00 0.00 175.52 176.12 1cx6 n GLY 156 N 1.40 0.88 3.60 5.82 0.00 0.20 -4.99 105.19 112.10 1cx6 n GLY 156 Ca -0.09 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1cx6 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cx6 s THR 157 N -2.14 1.28 -1.08 2.61 -4.23 -1.26 -4.78 115.64 106.04 1cx6 s THR 157 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1cx6 s THR 157 Cb 0.00 -2.57 0.73 0.00 1.34 0.00 0.00 72.50 71.99 1cx6 s THR 157 CO 0.00 0.00 1.63 0.79 -0.54 0.00 0.00 174.62 176.50 1cx6 n TRP 158 N -0.98 1.54 -0.14 3.99 7.02 -1.26 -4.52 117.44 123.09 1cx6 n TRP 158 Ca -0.09 -0.60 0.15 0.00 -1.02 0.00 0.00 57.50 55.94 1cx6 n TRP 158 Cb 0.66 -0.27 0.52 0.00 -2.42 0.00 0.00 31.31 29.80 1cx6 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1cx6 h ASP 159 N 4.05 0.36 0.65 -0.99 3.32 -1.96 0.14 116.42 122.00 1cx6 h ASP 159 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1cx6 h ASP 159 Cb 1.49 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1cx6 h ASP 159 CO 0.26 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 1cx6 n ALA 160 N -2.53 1.63 0.65 3.45 0.00 -1.26 -1.61 120.51 120.84 1cx6 n ALA 160 Ca 0.13 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1cx6 n ALA 160 Cb 0.51 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.71 1cx6 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cx6 n TYR 161 N -2.11 0.11 0.96 0.00 4.02 0.48 -4.98 117.16 115.65 1cx6 n TYR 161 Ca 0.02 -0.07 0.12 0.00 -0.01 0.00 0.00 57.90 57.96 1cx6 n TYR 161 Cb 0.21 -0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.62 1cx6 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48