#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky4 n LYS 2 N 0.00 4.12 0.07 0.03 4.81 -1.26 -4.50 118.16 121.44 2ky4 n LYS 2 Ca 0.00 -3.38 0.08 0.00 -0.87 0.00 0.00 58.31 54.14 2ky4 n LYS 2 Cb 0.00 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 2ky4 n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ky4 n VAL 3 N 1.16 0.76 -2.12 3.15 0.31 -1.26 -5.00 118.33 115.34 2ky4 n VAL 3 Ca 0.57 -0.59 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 2ky4 n VAL 3 Cb 0.32 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.80 2ky4 n VAL 3 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2ky4 n PHE 4 N -2.71 -0.45 -3.47 3.52 3.72 -1.26 -4.54 117.46 112.26 2ky4 n PHE 4 Ca -0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 2ky4 n PHE 4 Cb 0.65 -2.43 -0.06 0.00 -0.94 0.00 0.00 39.48 36.70 2ky4 n PHE 4 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2ky4 s LYS 5 N -4.38 3.85 -0.69 -1.08 -2.85 -1.26 -3.49 119.74 109.84 2ky4 s LYS 5 Ca 0.00 0.30 -0.27 0.00 -1.00 0.00 0.00 55.97 55.00 2ky4 s LYS 5 Cb 0.00 -2.92 0.02 0.00 -2.06 0.00 0.00 37.83 32.87 2ky4 s LYS 5 CO 0.00 0.49 1.36 0.50 0.10 0.00 0.00 175.35 177.80 2ky4 s ARG 6 N -2.08 3.16 -0.24 1.78 3.52 -1.06 -4.98 118.95 119.05 2ky4 s ARG 6 Ca 0.37 0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 2ky4 s ARG 6 Cb -0.14 -4.18 -0.03 0.00 -1.56 0.00 0.00 34.95 29.04 2ky4 s ARG 6 CO 0.19 -2.15 1.73 0.08 -0.81 0.00 0.00 175.30 174.34 2ky4 s VAL 7 N 6.13 3.55 -0.81 7.11 1.01 -1.26 -4.90 120.40 131.22 2ky4 s VAL 7 Ca 0.42 0.60 -0.35 0.00 0.00 0.00 0.00 61.98 62.65 2ky4 s VAL 7 Cb -0.09 -3.61 -0.20 0.00 0.00 0.00 0.00 36.38 32.49 2ky4 s VAL 7 CO 0.18 -0.30 2.51 0.00 0.00 0.00 0.00 175.10 177.49 2ky4 n ALA 8 N 9.16 0.32 0.00 5.51 0.00 -1.26 -1.16 120.51 133.08 2ky4 n ALA 8 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ky4 n ALA 8 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2ky4 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky4 n GLY 9 N 6.76 1.28 3.57 0.00 0.00 -1.26 -5.11 105.19 110.43 2ky4 n GLY 9 Ca 0.61 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 2ky4 n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ky4 s ILE 10 N -0.64 3.73 -0.05 -0.61 1.01 -0.31 -4.86 121.20 119.47 2ky4 s ILE 10 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 2ky4 s ILE 10 Cb 0.00 -4.37 -0.28 0.00 0.01 0.00 0.00 42.46 37.82 2ky4 s ILE 10 CO 0.00 -1.13 0.65 0.07 0.00 0.00 0.00 174.94 174.53 2ky4 h LYS 11 N 11.47 0.30 -5.27 2.79 2.10 -1.95 -3.47 116.57 122.54 2ky4 h LYS 11 Ca -0.27 -0.52 -0.55 0.00 -2.00 0.00 0.00 60.65 57.31 2ky4 h LYS 11 Cb 1.10 0.19 -0.07 0.00 -0.90 0.00 0.00 32.23 32.55 2ky4 h LYS 11 CO 1.18 1.19 1.66 -0.25 -2.00 0.00 0.00 179.45 181.23 2ky4 n ASP 12 N -3.50 0.61 0.00 7.07 9.92 -1.26 -4.82 116.55 124.57 2ky4 n ASP 12 Ca -0.24 0.22 0.05 0.00 -0.53 0.00 0.00 54.79 54.30 2ky4 n ASP 12 Cb 1.06 -0.98 0.25 0.00 -0.64 0.00 0.00 41.12 40.81 2ky4 n ASP 12 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ky4 n LYS 13 N 8.35 0.03 -0.13 -1.24 5.02 -1.26 -1.25 118.16 127.69 2ky4 n LYS 13 Ca 0.61 0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 57.06 2ky4 n LYS 13 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2ky4 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ky4 h ALA 14 N 2.42 0.65 0.05 7.82 0.00 -1.99 -1.53 119.26 126.68 2ky4 h ALA 14 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2ky4 h ALA 14 Cb 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ky4 h ALA 14 CO 0.00 0.67 -0.96 0.00 0.00 0.00 0.00 179.25 178.96 2ky4 h ALA 15 N 0.85 0.05 -0.99 0.00 0.00 -1.55 -2.19 119.26 115.42 2ky4 h ALA 15 Ca 0.08 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.36 2ky4 h ALA 15 Cb 0.89 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2ky4 h ALA 15 CO 0.08 0.56 0.65 0.82 0.00 0.00 0.00 179.25 181.36 2ky4 h ILE 16 N 0.15 1.13 -0.01 0.00 5.03 -1.29 -1.47 117.51 121.05 2ky4 h ILE 16 Ca -0.13 -0.41 -0.00 0.00 -0.12 0.00 0.00 64.86 64.19 2ky4 h ILE 16 Cb 1.65 -0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 35.26 2ky4 h ILE 16 CO 0.19 0.22 0.00 0.50 -0.68 0.00 0.00 178.15 178.38 2ky4 h LYS 17 N 1.21 0.01 -0.84 2.37 3.64 -1.25 -0.70 116.57 121.02 2ky4 h LYS 17 Ca 0.41 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.90 2ky4 h LYS 17 Cb 0.09 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 2ky4 h LYS 17 CO -0.15 0.24 0.47 1.15 -2.27 0.00 0.00 179.45 178.90 2ky4 h THR 18 N -0.22 0.86 -0.23 1.00 2.02 -1.34 0.11 112.91 115.11 2ky4 h THR 18 Ca 0.00 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.95 2ky4 h THR 18 Cb 0.24 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2ky4 h THR 18 CO 0.00 0.14 0.09 0.25 0.37 0.00 0.00 175.52 176.36 2ky4 h LEU 19 N 0.75 0.11 -0.70 2.58 6.46 -1.12 -1.70 115.31 121.68 2ky4 h LEU 19 Ca 0.42 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.23 2ky4 h LEU 19 Cb 0.44 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 2ky4 h LEU 19 CO -0.28 0.09 0.44 0.40 -0.62 0.00 0.00 178.44 178.48 2ky4 h ILE 20 N 0.20 1.10 -0.10 4.05 2.04 -0.72 -2.03 117.51 122.05 2ky4 h ILE 20 Ca 0.10 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2ky4 h ILE 20 Cb 0.06 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2ky4 h ILE 20 CO -0.10 0.16 0.04 0.28 0.00 0.00 0.00 178.15 178.53 2ky4 h SER 21 N 0.87 0.15 -0.15 1.72 0.02 -0.54 -0.88 113.55 114.73 2ky4 h SER 21 Ca 0.28 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2ky4 h SER 21 Cb 0.01 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2ky4 h SER 21 CO -0.11 0.30 -0.21 0.00 -1.14 0.00 0.00 176.83 175.67 2ky4 h ALA 22 N 0.86 -0.15 -0.56 3.77 0.00 -1.31 -0.79 119.26 121.09 2ky4 h ALA 22 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2ky4 h ALA 22 Cb 0.20 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2ky4 h ALA 22 CO -0.00 -0.66 0.20 0.00 0.00 0.00 0.00 179.25 178.79 2ky4 h ALA 23 N 0.75 0.70 -0.04 0.00 0.00 -1.14 -1.81 119.26 117.73 2ky4 h ALA 23 Ca 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ky4 h ALA 23 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ky4 h ALA 23 CO -0.30 -0.21 -0.14 1.88 0.00 0.00 0.00 179.25 180.49 2ky4 h TYR 24 N 0.38 0.21 -0.97 0.00 -1.99 -1.11 -2.08 116.97 111.40 2ky4 h TYR 24 Ca 0.28 -0.09 0.21 0.00 2.00 0.00 0.00 58.73 61.13 2ky4 h TYR 24 Cb 0.33 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.94 2ky4 h TYR 24 CO -0.17 0.77 0.62 -0.09 -0.00 0.00 0.00 178.16 179.29 2ky4 h ARG 25 N -0.41 0.50 0.12 4.88 2.43 -1.12 -1.29 114.38 119.49 2ky4 h ARG 25 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2ky4 h ARG 25 Cb 0.78 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2ky4 h ARG 25 CO 0.03 0.33 -0.06 0.37 -1.51 0.00 0.00 179.97 179.13 2ky4 h GLN 26 N 0.52 -0.16 -0.11 0.20 -0.00 -1.29 -2.37 115.11 111.90 2ky4 h GLN 26 Ca 0.54 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.18 2ky4 h GLN 26 Cb 1.17 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.68 2ky4 h GLN 26 CO -0.27 -0.11 0.02 0.82 0.00 0.00 0.00 178.83 179.29 2ky4 h ILE 27 N -0.68 1.22 -0.16 2.39 2.04 -1.37 -2.50 117.51 118.46 2ky4 h ILE 27 Ca -0.02 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2ky4 h ILE 27 Cb 0.13 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2ky4 h ILE 27 CO 0.03 0.20 0.00 0.49 0.00 0.00 0.00 178.15 178.87 2ky4 n PHE 28 N -4.84 0.21 -1.29 1.37 3.01 -0.49 -4.89 117.46 110.54 2ky4 n PHE 28 Ca -0.06 -0.10 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 2ky4 n PHE 28 Cb 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 2ky4 n PHE 28 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2ky4 n GLU 29 N -0.04 -1.24 -3.60 -1.08 2.13 -0.94 -4.91 120.64 110.95 2ky4 n GLU 29 Ca 0.06 0.61 -0.13 0.00 0.66 0.00 0.00 57.16 58.37 2ky4 n GLU 29 Cb 0.14 -4.80 -0.07 0.00 0.27 0.00 0.00 31.44 26.99 2ky4 n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2ky4 s ARG 30 N -2.86 0.73 -0.26 5.31 1.70 -0.90 -4.95 118.95 117.72 2ky4 s ARG 30 Ca 0.00 0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 55.56 2ky4 s ARG 30 Cb 0.00 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2ky4 s ARG 30 CO 0.00 -0.14 1.92 0.16 -1.08 0.00 0.00 175.30 176.16 2ky4 s ASP 31 N -0.21 5.85 0.13 -2.89 -4.77 -1.26 -3.29 116.67 110.22 2ky4 s ASP 31 Ca -0.01 1.62 -0.30 0.00 -3.30 0.00 0.00 52.55 50.56 2ky4 s ASP 31 Cb -0.03 -2.52 -0.06 0.00 -1.09 0.00 0.00 42.92 39.21 2ky4 s ASP 31 CO 0.00 -1.69 1.00 -0.63 0.70 0.00 0.00 175.17 174.55 2ky4 s ILE 32 N 6.98 4.34 0.01 2.11 1.01 -1.26 -4.98 121.20 129.42 2ky4 s ILE 32 Ca 0.86 1.96 -0.34 0.00 0.00 0.00 0.00 60.65 63.13 2ky4 s ILE 32 Cb -0.27 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.82 2ky4 s ILE 32 CO 0.34 0.31 1.78 0.00 0.00 0.00 0.00 174.94 177.37 2ky4 n ALA 33 N 2.70 1.14 -0.29 9.38 0.00 -1.26 -4.79 120.51 127.39 2ky4 n ALA 33 Ca 0.02 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.91 2ky4 n ALA 33 Cb 0.48 -2.46 0.35 0.00 0.00 0.00 0.00 19.45 17.82 2ky4 n ALA 33 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ky4 h PRO 34 N 8.10 0.74 0.00 0.00 0.13 -1.99 0.09 132.00 139.06 2ky4 h PRO 34 Ca -0.47 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2ky4 h PRO 34 Cb 1.26 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2ky4 h PRO 34 CO 0.93 0.49 -0.19 0.10 -0.23 0.00 0.00 178.00 179.09 2ky4 h TYR 35 N 0.76 0.00 0.12 1.56 -0.00 -2.00 -1.97 116.97 115.44 2ky4 h TYR 35 Ca 0.46 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.96 2ky4 h TYR 35 Cb 0.67 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.41 2ky4 h TYR 35 CO -0.00 0.19 -1.11 0.82 -0.00 0.00 0.00 178.16 178.06 2ky4 h ILE 36 N 0.00 1.26 -0.50 -0.90 2.04 -1.41 -3.32 117.51 114.68 2ky4 h ILE 36 Ca -0.00 -2.45 0.06 0.00 1.00 0.00 0.00 64.86 63.46 2ky4 h ILE 36 Cb 0.54 2.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.50 2ky4 h ILE 36 CO 0.03 0.69 0.22 0.00 0.00 0.00 0.00 178.15 179.09 2ky4 h ALA 37 N -0.01 0.63 0.00 1.87 0.00 -1.01 -1.66 119.26 119.08 2ky4 h ALA 37 Ca -0.23 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2ky4 h ALA 37 Cb 1.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2ky4 h ALA 37 CO 0.09 -0.15 -0.33 -0.56 0.00 0.00 0.00 179.25 178.30 2ky4 h GLN 38 N 0.43 0.00 0.04 0.00 3.07 -1.57 -2.85 115.11 114.23 2ky4 h GLN 38 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.88 2ky4 h GLN 38 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.76 2ky4 h GLN 38 CO -0.20 0.33 -0.36 -0.97 0.09 0.00 0.00 178.83 177.72 2ky4 h ASN 39 N 0.00 0.24 0.58 0.06 -0.73 -1.43 -1.98 115.58 112.33 2ky4 h ASN 39 Ca -0.00 -0.90 -0.20 0.00 1.87 0.00 0.00 56.30 57.07 2ky4 h ASN 39 Cb 0.88 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.38 2ky4 h ASN 39 CO 0.04 1.12 -0.89 -0.33 -0.37 0.00 0.00 177.43 177.00 2ky4 h GLU 40 N -0.59 0.20 -1.13 6.67 4.39 -1.49 -3.32 114.58 119.31 2ky4 h GLU 40 Ca -0.06 -0.22 -0.63 0.00 0.34 0.00 0.00 59.36 58.79 2ky4 h GLU 40 Cb 1.21 0.07 -0.37 0.00 -0.10 0.00 0.00 28.75 29.56 2ky4 h GLU 40 CO 0.07 0.96 -0.05 1.19 -1.16 0.00 0.00 179.01 180.03 2ky4 n PHE 41 N -3.65 3.04 -0.10 4.33 3.72 -1.08 -4.79 117.46 118.94 2ky4 n PHE 41 Ca -0.04 -2.64 -0.12 0.00 -0.05 0.00 0.00 57.45 54.60 2ky4 n PHE 41 Cb 0.81 -0.74 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 2ky4 n PHE 41 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2ky4 h SER 42 N 2.31 0.63 1.11 4.37 0.87 -1.46 0.43 113.55 121.80 2ky4 h SER 42 Ca 0.46 -0.42 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 2ky4 h SER 42 Cb 1.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2ky4 h SER 42 CO 1.12 0.91 -0.58 1.23 -0.53 0.00 0.00 176.83 178.98 2ky4 h GLY 43 N 0.35 0.00 1.72 5.77 0.00 -1.87 -3.21 103.07 105.83 2ky4 h GLY 43 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 2ky4 h GLY 43 CO 0.05 0.00 -1.19 -0.25 0.00 0.00 0.00 176.54 175.14 2ky4 h TRP 44 N 0.00 0.08 -0.38 5.60 -0.00 -1.87 -2.86 115.95 116.51 2ky4 h TRP 44 Ca -0.01 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.89 58.71 2ky4 h TRP 44 Cb 1.29 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.44 2ky4 h TRP 44 CO 0.00 1.05 -0.24 1.49 -0.00 0.00 0.00 178.44 180.75 2ky4 h GLU 45 N 0.01 0.83 -0.70 2.65 4.22 -1.01 -3.00 114.58 117.58 2ky4 h GLU 45 Ca -0.09 -0.39 0.08 0.00 0.08 0.00 0.00 59.36 59.04 2ky4 h GLU 45 Cb 1.85 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 2ky4 h GLU 45 CO 0.13 1.02 0.46 1.03 -2.18 0.00 0.00 179.01 179.47 2ky4 h SER 46 N 0.63 0.59 -0.66 1.04 0.87 -1.54 0.33 113.55 114.80 2ky4 h SER 46 Ca 0.08 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2ky4 h SER 46 Cb 0.80 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2ky4 h SER 46 CO 0.07 0.37 0.35 0.11 -0.53 0.00 0.00 176.83 177.20 2ky4 h LYS 47 N 0.66 0.93 -0.10 2.24 1.79 -1.37 -1.77 116.57 118.94 2ky4 h LYS 47 Ca 0.31 -0.12 -0.19 0.00 -2.18 0.00 0.00 60.65 58.47 2ky4 h LYS 47 Cb 0.35 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2ky4 h LYS 47 CO -0.10 0.71 -0.72 1.25 -1.08 0.00 0.00 179.45 179.51 2ky4 h LEU 48 N 0.91 0.58 -0.01 2.94 5.85 -1.20 0.06 115.31 124.43 2ky4 h LEU 48 Ca 0.23 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2ky4 h LEU 48 Cb 0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2ky4 h LEU 48 CO -0.03 1.12 -0.14 1.23 -0.34 0.00 0.00 178.44 180.27 2ky4 h GLY 49 N 1.12 0.13 0.68 3.75 0.00 -0.22 -2.93 103.07 105.61 2ky4 h GLY 49 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ky4 h GLY 49 CO 0.13 0.18 0.00 0.70 0.00 0.00 0.00 176.54 177.55 2ky4 n ASN 50 N -4.60 0.00 -2.95 0.19 3.02 -0.68 -4.93 115.26 105.31 2ky4 n ASN 50 Ca -0.09 -1.20 -0.22 0.00 -0.03 0.00 0.00 54.58 53.04 2ky4 n ASN 50 Cb 0.43 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 2ky4 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ky4 n GLY 51 N 0.70 -0.51 0.19 7.41 0.00 -1.11 -4.90 105.19 106.97 2ky4 n GLY 51 Ca 0.15 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.31 2ky4 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ky4 h GLU 52 N -1.01 0.00 -5.12 1.61 4.39 -1.26 -3.46 114.58 109.73 2ky4 h GLU 52 Ca -0.49 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 58.77 2ky4 h GLU 52 Cb 1.34 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.85 2ky4 h GLU 52 CO 0.55 0.35 -0.60 0.96 -1.16 0.00 0.00 179.01 179.11 2ky4 s ILE 53 N -4.02 0.98 0.50 3.13 -4.36 -1.11 -5.07 121.20 111.25 2ky4 s ILE 53 Ca -0.02 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.35 2ky4 s ILE 53 Cb 0.13 -2.73 -0.00 0.00 1.25 0.00 0.00 42.46 41.11 2ky4 s ILE 53 CO 0.70 0.00 0.75 0.42 0.24 0.00 0.00 174.94 177.05 2ky4 s THR 54 N -3.43 3.93 0.17 8.37 -4.23 -1.26 -4.80 115.64 114.39 2ky4 s THR 54 Ca 0.36 -0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 2ky4 s THR 54 Cb 0.08 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.48 2ky4 s THR 54 CO 0.15 -0.40 1.64 0.58 -0.54 0.00 0.00 174.62 176.05 2ky4 h VAL 55 N 0.21 1.26 -0.86 2.29 2.07 -1.27 -0.86 116.25 119.09 2ky4 h VAL 55 Ca -0.46 -1.06 0.12 0.00 0.82 0.00 0.00 66.70 66.13 2ky4 h VAL 55 Cb 1.25 0.83 -0.14 0.00 -1.52 0.00 0.00 31.29 31.71 2ky4 h VAL 55 CO 0.58 0.38 -0.43 0.50 0.02 0.00 0.00 177.57 178.63 2ky4 h LYS 56 N 0.86 -0.07 0.00 1.57 3.64 -1.56 0.12 116.57 121.14 2ky4 h LYS 56 Ca 0.17 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2ky4 h LYS 56 Cb 0.48 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2ky4 h LYS 56 CO 0.02 -0.04 -0.21 1.49 -2.27 0.00 0.00 179.45 178.44 2ky4 h GLU 57 N -0.07 0.00 -0.15 1.90 4.81 -1.70 -1.76 114.58 117.60 2ky4 h GLU 57 Ca 0.27 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 2ky4 h GLU 57 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2ky4 h GLU 57 CO -0.88 0.21 -0.72 0.35 -0.73 0.00 0.00 179.01 177.24 2ky4 h PHE 58 N 0.00 0.92 -0.08 0.92 3.57 -0.52 -3.19 116.94 118.56 2ky4 h PHE 58 Ca -0.00 -0.39 -0.11 0.00 3.53 0.00 0.00 57.97 61.00 2ky4 h PHE 58 Cb 0.46 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2ky4 h PHE 58 CO 0.00 1.19 -0.38 0.82 -2.23 0.00 0.00 178.31 177.72 2ky4 h ILE 59 N 0.48 1.41 -0.99 1.41 5.03 -0.27 -2.42 117.51 122.15 2ky4 h ILE 59 Ca -0.03 -1.76 0.24 0.00 -0.12 0.00 0.00 64.86 63.18 2ky4 h ILE 59 Cb 1.33 2.30 -0.08 0.00 -3.03 0.00 0.00 36.82 37.33 2ky4 h ILE 59 CO 0.14 0.51 0.64 -0.08 -0.68 0.00 0.00 178.15 178.69 2ky4 h GLU 60 N -0.08 0.40 0.00 2.37 4.81 -1.48 -1.89 114.58 118.72 2ky4 h GLU 60 Ca -0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2ky4 h GLU 60 Cb 1.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2ky4 h GLU 60 CO 0.08 0.27 -0.29 0.78 -0.73 0.00 0.00 179.01 179.11 2ky4 h GLY 61 N 0.42 0.00 0.44 1.92 0.00 -1.42 -2.49 103.07 101.94 2ky4 h GLY 61 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 2ky4 h GLY 61 CO -0.25 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.56 2ky4 h LEU 62 N 0.00 0.16 -1.84 3.11 3.38 -1.10 -3.18 115.31 115.84 2ky4 h LEU 62 Ca -0.00 -0.69 0.18 0.00 0.09 0.00 0.00 57.88 57.45 2ky4 h LEU 62 Cb 0.65 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2ky4 h LEU 62 CO 0.04 0.83 0.48 1.23 0.09 0.00 0.00 178.44 181.11 2ky4 h GLY 63 N -0.50 0.28 2.00 0.83 0.00 -1.36 -1.72 103.07 102.60 2ky4 h GLY 63 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2ky4 h GLY 63 CO 0.03 0.02 0.00 -0.97 0.00 0.00 0.00 176.54 175.62 2ky4 h TYR 64 N 0.15 0.00 -3.34 5.60 -1.99 -1.45 -3.45 116.97 112.49 2ky4 h TYR 64 Ca 0.34 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.54 2ky4 h TYR 64 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2ky4 h TYR 64 CO -0.00 0.00 0.51 -1.12 -0.00 0.00 0.00 178.16 177.55 2ky4 s SER 65 N -5.21 7.18 0.59 3.88 0.01 -0.65 -4.94 113.70 114.56 2ky4 s SER 65 Ca 0.04 1.99 0.39 0.00 1.31 0.00 0.00 55.95 59.68 2ky4 s SER 65 Cb 0.09 -2.59 2.10 0.00 0.21 0.00 0.00 66.02 65.83 2ky4 s SER 65 CO 0.52 -0.36 2.20 -0.55 0.41 0.00 0.00 173.24 175.46 2ky4 h ASN 66 N 6.25 0.00 -0.80 2.44 -1.07 -1.87 -1.17 115.58 119.37 2ky4 h ASN 66 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.93 2ky4 h ASN 66 Cb 1.21 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.43 2ky4 h ASN 66 CO 0.77 0.00 0.43 0.25 0.07 0.00 0.00 177.43 178.95 2ky4 h LEU 67 N 0.00 1.00 -0.92 6.14 5.85 -1.92 -0.84 115.31 124.63 2ky4 h LEU 67 Ca 0.00 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2ky4 h LEU 67 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2ky4 h LEU 67 CO 0.00 0.82 0.02 0.22 -0.34 0.00 0.00 178.44 179.16 2ky4 h TYR 68 N 1.11 0.86 -0.00 1.25 3.20 -1.43 -3.11 116.97 118.84 2ky4 h TYR 68 Ca 0.28 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 2ky4 h TYR 68 Cb 0.05 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2ky4 h TYR 68 CO 0.00 0.78 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.69 2ky4 h LEU 69 N 0.76 0.01 -0.30 2.82 -0.00 -1.44 -0.87 115.31 116.29 2ky4 h LEU 69 Ca 0.15 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.93 2ky4 h LEU 69 Cb 0.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2ky4 h LEU 69 CO 0.02 0.56 -0.44 0.07 -0.00 0.00 0.00 178.44 178.64 2ky4 h LYS 70 N 0.01 0.00 0.14 1.13 2.10 -1.16 -1.80 116.57 116.99 2ky4 h LYS 70 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2ky4 h LYS 70 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2ky4 h LYS 70 CO 0.07 0.44 -0.07 0.93 -2.00 0.00 0.00 179.45 178.82 2ky4 h GLU 71 N 0.00 -0.19 -2.12 0.07 4.39 -1.43 -3.41 114.58 111.90 2ky4 h GLU 71 Ca -0.00 0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.13 2ky4 h GLU 71 Cb 1.22 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.51 2ky4 h GLU 71 CO 0.06 0.16 -0.85 1.19 -1.16 0.00 0.00 179.01 178.41 2ky4 n PHE 72 N -4.88 1.62 0.04 4.33 3.72 -0.36 -4.75 117.46 117.18 2ky4 n PHE 72 Ca -0.06 -3.86 0.00 0.00 -0.05 0.00 0.00 57.45 53.49 2ky4 n PHE 72 Cb 0.22 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 2ky4 n PHE 72 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2ky4 n TYR 73 N 1.17 -2.48 -0.17 1.38 9.36 -1.07 -4.76 117.16 120.58 2ky4 n TYR 73 Ca 0.25 0.27 -0.06 0.00 3.32 0.00 0.00 57.90 61.69 2ky4 n TYR 73 Cb 0.47 1.02 0.10 0.00 -0.63 0.00 0.00 39.34 40.30 2ky4 n TYR 73 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 2ky4 h THR 74 N 0.00 1.25 -0.46 2.97 1.35 -1.61 -2.93 112.91 113.49 2ky4 h THR 74 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2ky4 h THR 74 Cb 0.00 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2ky4 h THR 74 CO 0.00 0.37 0.00 -0.81 -0.25 0.00 0.00 175.52 174.83 2ky4 n PRO 75 N -4.21 3.48 -4.07 4.72 -0.04 -1.26 -4.96 135.00 128.66 2ky4 n PRO 75 Ca 0.03 -2.25 -0.11 0.00 -0.04 0.00 0.00 63.50 61.14 2ky4 n PRO 75 Cb 0.30 -1.91 -0.11 0.00 -0.04 0.00 0.00 33.50 31.74 2ky4 n PRO 75 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ky4 s TYR 76 N -2.04 0.60 0.61 0.54 2.02 -1.11 -5.12 117.35 112.86 2ky4 s TYR 76 Ca 0.40 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 56.26 2ky4 s TYR 76 Cb 0.28 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.44 2ky4 s TYR 76 CO 0.15 -0.16 1.10 -1.25 -1.57 0.00 0.00 175.55 173.82 2ky4 s PRO 77 N -2.33 3.08 0.18 -1.71 0.04 -1.26 -4.76 135.00 128.23 2ky4 s PRO 77 Ca -0.05 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 2ky4 s PRO 77 Cb -0.04 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2ky4 s PRO 77 CO -0.02 -1.03 1.59 -0.97 0.04 0.00 0.00 177.00 176.61 2ky4 h ASN 78 N 0.46 -1.14 -1.06 6.66 -1.24 -2.01 -1.26 115.58 115.99 2ky4 h ASN 78 Ca -0.48 0.21 0.29 0.00 0.71 0.00 0.00 56.30 57.04 2ky4 h ASN 78 Cb 1.24 0.55 -0.06 0.00 0.73 0.00 0.00 38.32 40.78 2ky4 h ASN 78 CO 0.56 -0.31 0.73 0.74 -1.29 0.00 0.00 177.43 177.86 2ky4 h THR 79 N -0.20 0.49 0.00 -3.57 2.02 -1.98 -0.90 112.91 108.77 2ky4 h THR 79 Ca 0.20 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 2ky4 h THR 79 Cb 0.54 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2ky4 h THR 79 CO -0.62 0.03 -0.57 0.50 0.37 0.00 0.00 175.52 175.23 2ky4 h LYS 80 N 0.17 0.00 -0.04 6.66 1.63 -1.61 -3.18 116.57 120.20 2ky4 h LYS 80 Ca 0.54 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.25 2ky4 h LYS 80 Cb 1.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 2ky4 h LYS 80 CO -0.13 0.57 -0.42 0.28 -3.45 0.00 0.00 179.45 176.30 2ky4 h VAL 81 N 0.00 1.31 -0.33 2.00 2.07 -0.99 -1.69 116.25 118.62 2ky4 h VAL 81 Ca -0.01 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 65.94 2ky4 h VAL 81 Cb 1.18 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2ky4 h VAL 81 CO 0.07 0.43 -0.08 0.40 0.02 0.00 0.00 177.57 178.42 2ky4 h ILE 82 N 0.08 1.28 0.00 4.57 5.03 -1.55 0.59 117.51 127.51 2ky4 h ILE 82 Ca 0.00 -1.14 -0.13 0.00 -0.12 0.00 0.00 64.86 63.47 2ky4 h ILE 82 Cb 0.78 1.33 -0.02 0.00 -3.03 0.00 0.00 36.82 35.88 2ky4 h ILE 82 CO 0.06 0.37 -0.72 1.05 -0.68 0.00 0.00 178.15 178.23 2ky4 h GLU 83 N 0.43 0.00 0.02 2.37 4.11 -1.61 -2.25 114.58 117.65 2ky4 h GLU 83 Ca 0.08 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.25 2ky4 h GLU 83 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2ky4 h GLU 83 CO 0.03 0.56 -1.42 -0.07 0.07 0.00 0.00 179.01 178.19 2ky4 h LEU 84 N 0.00 0.07 0.27 3.06 3.38 -1.38 -3.25 115.31 117.46 2ky4 h LEU 84 Ca -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2ky4 h LEU 84 Cb 1.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2ky4 h LEU 84 CO 0.07 1.09 -0.13 1.23 0.09 0.00 0.00 178.44 180.80 2ky4 h GLY 85 N 2.96 -0.37 1.48 0.83 0.00 -0.87 -2.25 103.07 104.85 2ky4 h GLY 85 Ca -0.18 0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.36 2ky4 h GLY 85 CO 0.11 -0.14 0.20 -0.84 0.00 0.00 0.00 176.54 175.88 2ky4 h THR 86 N -0.81 0.90 -0.35 4.70 2.02 -1.61 -1.45 112.91 116.31 2ky4 h THR 86 Ca -0.04 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 2ky4 h THR 86 Cb 0.51 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2ky4 h THR 86 CO 0.06 0.01 -0.37 0.50 0.37 0.00 0.00 175.52 176.10 2ky4 h LYS 87 N 0.08 0.81 -0.02 6.66 3.64 -1.54 0.11 116.57 126.31 2ky4 h LYS 87 Ca 0.13 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2ky4 h LYS 87 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2ky4 h LYS 87 CO -0.01 1.04 -0.11 0.72 -2.27 0.00 0.00 179.45 178.82 2ky4 n HIS 88 N -4.06 0.00 0.05 1.91 8.25 -0.78 -3.32 115.22 117.28 2ky4 n HIS 88 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2ky4 n HIS 88 Cb 0.52 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2ky4 n HIS 88 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2ky4 n PHE 89 N 0.35 -0.35 0.78 4.41 3.72 -0.62 -4.42 117.46 121.33 2ky4 n PHE 89 Ca 0.15 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.74 2ky4 n PHE 89 Cb 0.44 0.10 0.37 0.00 -0.94 0.00 0.00 39.48 39.45 2ky4 n PHE 89 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2ky4 n LEU 90 N -3.38 0.52 -0.13 4.37 4.77 -0.26 -4.84 117.00 118.05 2ky4 n LEU 90 Ca 0.00 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2ky4 n LEU 90 Cb 0.09 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2ky4 n LEU 90 CO 0.00 -0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 176.61 2ky4 n GLY 91 N 1.40 0.31 3.67 -0.72 0.00 0.23 -4.83 105.19 105.26 2ky4 n GLY 91 Ca 0.05 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2ky4 n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ky4 s ARG 92 N -1.56 3.50 0.81 1.61 3.52 -0.84 -4.77 118.95 121.22 2ky4 s ARG 92 Ca 0.00 -0.35 -0.12 0.00 -0.13 0.00 0.00 55.73 55.13 2ky4 s ARG 92 Cb 0.00 -3.02 0.08 0.00 -1.56 0.00 0.00 34.95 30.45 2ky4 s ARG 92 CO 0.00 0.51 1.14 0.00 -0.81 0.00 0.00 175.30 176.13 2ky4 s ALA 93 N -0.31 1.96 0.98 6.12 0.00 -1.26 -3.31 121.76 125.94 2ky4 s ALA 93 Ca 0.08 0.53 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 2ky4 s ALA 93 Cb -0.12 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2ky4 s ALA 93 CO 0.02 -2.11 -0.02 -0.35 0.00 0.00 0.00 175.76 173.30 2ky4 n PRO 94 N -3.53 -0.37 0.00 0.00 -0.04 -1.26 -5.02 135.00 124.78 2ky4 n PRO 94 Ca 0.11 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2ky4 n PRO 94 Cb 0.52 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2ky4 n PRO 94 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ky4 n ILE 95 N -3.43 0.00 -3.99 0.52 -0.00 -1.26 -5.10 119.36 106.10 2ky4 n ILE 95 Ca 0.04 0.01 -0.09 0.00 -0.00 0.00 0.00 62.75 62.71 2ky4 n ILE 95 Cb 0.56 -0.75 -0.10 0.00 -0.00 0.00 0.00 39.64 39.35 2ky4 n ILE 95 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2ky4 s ASP 96 N -1.76 0.27 0.28 4.38 2.15 -1.26 -5.06 116.67 115.67 2ky4 s ASP 96 Ca 0.00 -0.60 0.21 0.00 0.43 0.00 0.00 52.55 52.59 2ky4 s ASP 96 Cb 0.00 0.15 1.05 0.00 -0.30 0.00 0.00 42.92 43.82 2ky4 s ASP 96 CO 0.00 -0.41 1.64 1.67 -0.17 0.00 0.00 175.17 177.90 2ky4 n GLN 97 N 1.08 0.15 0.02 4.34 -0.06 -1.26 -1.82 117.38 119.83 2ky4 n GLN 97 Ca -0.21 0.56 -0.10 0.00 -2.00 0.00 0.00 57.00 55.25 2ky4 n GLN 97 Cb 0.57 -1.90 -0.13 0.00 -4.06 0.00 0.00 30.24 24.71 2ky4 n GLN 97 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ky4 h ALA 98 N 2.09 0.57 -0.39 1.69 0.00 -1.98 -2.24 119.26 119.00 2ky4 h ALA 98 Ca 0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 54.91 53.50 2ky4 h ALA 98 Cb 0.12 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ky4 h ALA 98 CO 0.00 1.41 -0.36 1.49 0.00 0.00 0.00 179.25 181.79 2ky4 h GLU 99 N 0.01 0.91 0.23 0.00 4.57 -1.78 -0.61 114.58 117.91 2ky4 h GLU 99 Ca -0.20 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.50 2ky4 h GLU 99 Cb 1.94 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 2ky4 h GLU 99 CO 0.11 1.12 -0.11 0.82 -1.18 0.00 0.00 179.01 179.77 2ky4 h ILE 100 N 0.75 0.84 -0.54 2.32 2.04 -1.40 -2.26 117.51 119.25 2ky4 h ILE 100 Ca 0.07 -0.40 0.13 0.00 1.00 0.00 0.00 64.86 65.66 2ky4 h ILE 100 Cb 0.95 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2ky4 h ILE 100 CO 0.09 0.09 0.38 0.03 0.00 0.00 0.00 178.15 178.74 2ky4 h ARG 101 N -0.51 0.12 -0.05 2.37 3.08 -1.46 -0.54 114.38 117.40 2ky4 h ARG 101 Ca -0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ky4 h ARG 101 Cb 0.38 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2ky4 h ARG 101 CO 0.05 0.08 0.02 -0.22 -1.07 0.00 0.00 179.97 178.83 2ky4 h LYS 102 N 0.13 0.08 -0.47 0.04 3.64 -0.83 -1.06 116.57 118.09 2ky4 h LYS 102 Ca 0.26 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2ky4 h LYS 102 Cb 0.85 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2ky4 h LYS 102 CO -0.03 0.22 -0.23 1.88 -2.27 0.00 0.00 179.45 179.01 2ky4 h TYR 103 N -0.08 1.12 -0.75 1.91 0.05 -0.94 -2.88 116.97 115.41 2ky4 h TYR 103 Ca 0.02 -0.27 0.03 0.00 0.05 0.00 0.00 58.73 58.55 2ky4 h TYR 103 Cb 0.17 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.60 2ky4 h TYR 103 CO -0.02 1.09 0.47 -0.97 -1.05 0.00 0.00 178.16 177.69 2ky4 h ASN 104 N 0.84 0.79 0.15 3.88 -0.73 -1.15 -2.88 115.58 116.47 2ky4 h ASN 104 Ca 0.11 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 2ky4 h ASN 104 Cb 0.80 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.22 2ky4 h ASN 104 CO 0.07 0.54 -0.09 -0.61 -0.37 0.00 0.00 177.43 176.97 2ky4 h GLN 105 N 0.93 0.00 0.20 6.67 5.75 -0.97 0.48 115.11 128.16 2ky4 h GLN 105 Ca 0.30 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 2ky4 h GLN 105 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2ky4 h GLN 105 CO -0.11 0.09 -0.09 0.82 -2.65 0.00 0.00 178.83 176.89 2ky4 h ILE 106 N 0.00 0.00 -1.65 2.39 2.04 -1.42 -2.01 117.51 116.87 2ky4 h ILE 106 Ca -0.00 -0.78 0.50 0.00 1.00 0.00 0.00 64.86 65.58 2ky4 h ILE 106 Cb 0.19 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.18 2ky4 h ILE 106 CO 0.01 0.00 1.15 0.25 0.00 0.00 0.00 178.15 179.56 2ky4 h LEU 107 N -1.04 0.08 0.22 1.44 5.85 -1.44 0.28 115.31 120.70 2ky4 h LEU 107 Ca -0.03 0.05 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 2ky4 h LEU 107 Cb 0.20 0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.31 2ky4 h LEU 107 CO 0.04 -0.06 -1.28 0.00 -0.34 0.00 0.00 178.44 176.80 2ky4 h ALA 108 N 1.26 -0.13 0.00 1.25 0.00 0.08 -3.06 119.26 118.66 2ky4 h ALA 108 Ca 0.85 -0.82 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2ky4 h ALA 108 Cb 3.16 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 21.10 2ky4 h ALA 108 CO -0.15 0.60 -1.91 0.25 0.00 0.00 0.00 179.25 178.04 2ky4 n THR 109 N -3.85 0.52 0.00 0.00 -2.24 -0.76 -4.74 114.28 103.22 2ky4 n THR 109 Ca -0.16 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2ky4 n THR 109 Cb 1.02 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2ky4 n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ky4 n GLN 110 N -2.49 0.53 0.00 -0.78 6.02 0.04 -5.09 117.38 115.60 2ky4 n GLN 110 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2ky4 n GLN 110 Cb 0.73 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 31.15 2ky4 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ky4 n GLY 111 N 2.74 1.93 0.19 1.08 0.00 -0.92 -4.74 105.19 105.46 2ky4 n GLY 111 Ca 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 43.91 2ky4 n GLY 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ky4 h ILE 112 N 0.63 1.22 -0.04 -0.61 -0.00 -1.88 -2.40 117.51 114.43 2ky4 h ILE 112 Ca 0.00 -1.28 0.03 0.00 -0.00 0.00 0.00 64.86 63.62 2ky4 h ILE 112 Cb 0.00 1.70 -0.04 0.00 -0.00 0.00 0.00 36.82 38.47 2ky4 h ILE 112 CO 0.00 0.36 -0.20 0.08 -0.00 0.00 0.00 178.15 178.39 2ky4 h ARG 113 N 0.00 -0.29 0.00 2.19 0.11 -1.90 -1.12 114.38 113.37 2ky4 h ARG 113 Ca -0.00 0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 2ky4 h ARG 113 Cb 0.67 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 2ky4 h ARG 113 CO 0.05 -0.19 -0.19 0.00 0.10 0.00 0.00 179.97 179.73 2ky4 h ALA 114 N 0.62 1.59 -0.03 0.08 0.00 -1.76 -2.01 119.26 117.76 2ky4 h ALA 114 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ky4 h ALA 114 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ky4 h ALA 114 CO -0.22 0.24 -0.01 0.35 0.00 0.00 0.00 179.25 179.61 2ky4 h PHE 115 N 0.00 0.06 -0.39 0.00 3.57 -1.02 -1.67 116.94 117.49 2ky4 h PHE 115 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ky4 h PHE 115 Cb 0.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2ky4 h PHE 115 CO 0.00 0.42 0.24 0.82 -2.23 0.00 0.00 178.31 177.56 2ky4 h ILE 116 N -0.33 1.06 -0.97 1.41 1.08 -1.12 -2.68 117.51 115.96 2ky4 h ILE 116 Ca 0.01 -0.17 0.08 0.00 -0.39 0.00 0.00 64.86 64.39 2ky4 h ILE 116 Cb 0.41 0.53 -0.07 0.00 -3.07 0.00 0.00 36.82 34.62 2ky4 h ILE 116 CO 0.00 0.09 0.62 -1.13 -0.69 0.00 0.00 178.15 177.04 2ky4 h ASN 117 N 0.49 0.97 -0.90 1.72 -0.73 -1.39 -0.88 115.58 114.85 2ky4 h ASN 117 Ca 0.15 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 2ky4 h ASN 117 Cb -0.02 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.35 2ky4 h ASN 117 CO -0.06 0.60 0.55 0.00 -0.37 0.00 0.00 177.43 178.15 2ky4 h ALA 118 N 1.46 1.15 0.22 1.57 0.00 -0.98 -2.26 119.26 120.41 2ky4 h ALA 118 Ca 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2ky4 h ALA 118 Cb 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ky4 h ALA 118 CO -0.19 0.60 -0.10 -0.07 0.00 0.00 0.00 179.25 179.48 2ky4 h LEU 119 N 1.24 -0.25 -0.67 0.00 3.38 -1.14 -3.17 115.31 114.70 2ky4 h LEU 119 Ca 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ky4 h LEU 119 Cb -0.07 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2ky4 h LEU 119 CO -0.06 0.27 0.36 0.58 0.09 0.00 0.00 178.44 179.68 2ky4 h VAL 120 N -0.92 1.21 -0.00 1.22 2.07 -1.21 -2.13 116.25 116.49 2ky4 h VAL 120 Ca -0.03 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ky4 h VAL 120 Cb 0.49 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2ky4 h VAL 120 CO 0.05 0.23 -0.01 0.59 0.02 0.00 0.00 177.57 178.45 2ky4 n ASN 121 N -4.51 0.40 -4.74 0.57 3.02 -0.85 -4.53 115.26 104.61 2ky4 n ASN 121 Ca 0.05 -1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 53.21 2ky4 n ASN 121 Cb 0.09 -0.01 0.10 0.00 -0.61 0.00 0.00 39.78 39.34 2ky4 n ASN 121 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ky4 s SER 122 N -2.05 4.29 0.50 6.41 0.15 -0.80 -4.93 113.70 117.26 2ky4 s SER 122 Ca 0.44 2.01 0.24 0.00 0.70 0.00 0.00 55.95 59.34 2ky4 s SER 122 Cb 0.22 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 63.28 2ky4 s SER 122 CO 0.37 -2.18 2.03 0.06 1.20 0.00 0.00 173.24 174.72 2ky4 h GLN 123 N -0.89 0.00 -0.14 5.44 -0.00 -1.90 -2.68 115.11 114.94 2ky4 h GLN 123 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.20 2ky4 h GLN 123 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.72 2ky4 h GLN 123 CO 0.50 0.15 0.06 0.93 -0.00 0.00 0.00 178.83 180.47 2ky4 h GLU 124 N 0.00 0.20 -0.17 0.06 4.39 -1.92 -1.80 114.58 115.34 2ky4 h GLU 124 Ca -0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2ky4 h GLU 124 Cb 0.37 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2ky4 h GLU 124 CO 0.02 0.28 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.14 2ky4 h TYR 125 N 0.08 0.42 0.18 4.33 5.03 -1.76 -3.19 116.97 122.06 2ky4 h TYR 125 Ca 0.05 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2ky4 h TYR 125 Cb 0.15 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.33 2ky4 h TYR 125 CO -0.02 0.68 -0.09 -0.97 -1.32 0.00 0.00 178.16 176.44 2ky4 h ASN 126 N 0.05 -0.20 0.18 -2.11 -1.24 -1.38 -2.33 115.58 108.54 2ky4 h ASN 126 Ca 0.04 -0.10 -0.26 0.00 0.71 0.00 0.00 56.30 56.68 2ky4 h ASN 126 Cb 0.57 0.05 0.02 0.00 0.73 0.00 0.00 38.32 39.70 2ky4 h ASN 126 CO 0.03 -0.02 -1.20 -0.33 -1.29 0.00 0.00 177.43 174.61 2ky4 h GLU 127 N -0.38 0.37 -0.05 6.67 5.08 -1.51 -2.64 114.58 122.12 2ky4 h GLU 127 Ca -0.02 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2ky4 h GLU 127 Cb 0.29 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ky4 h GLU 127 CO 0.04 1.31 0.00 0.28 -1.00 0.00 0.00 179.01 179.64 2ky4 h VAL 128 N -0.16 1.24 0.00 3.13 2.07 -1.63 -3.39 116.25 117.52 2ky4 h VAL 128 Ca -0.22 -0.75 -0.23 0.00 0.82 0.00 0.00 66.70 66.32 2ky4 h VAL 128 Cb 1.86 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 2ky4 h VAL 128 CO 0.18 0.20 -1.57 0.49 0.02 0.00 0.00 177.57 176.90 2ky4 n PHE 129 N -4.88 0.38 0.00 1.57 3.72 -0.89 -5.06 117.46 112.30 2ky4 n PHE 129 Ca -0.07 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2ky4 n PHE 129 Cb 0.18 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 2ky4 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ky4 n GLY 130 N 1.40 2.40 0.24 1.37 0.00 -1.00 -4.65 105.19 104.95 2ky4 n GLY 130 Ca -0.32 -1.64 0.15 0.00 0.00 0.00 0.00 46.02 44.20 2ky4 n GLY 130 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ky4 h GLU 131 N 0.00 0.00 -0.00 1.61 4.11 -1.86 -2.41 114.58 116.03 2ky4 h GLU 131 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ky4 h GLU 131 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ky4 h GLU 131 CO 0.00 0.00 -0.07 -0.25 0.07 0.00 0.00 179.01 178.76 2ky4 n ASP 132 N -3.01 0.16 -4.49 3.06 9.92 -1.26 -0.84 116.55 120.09 2ky4 n ASP 132 Ca 0.02 -0.10 -0.29 0.00 -0.53 0.00 0.00 54.79 53.89 2ky4 n ASP 132 Cb 0.40 -0.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.53 2ky4 n ASP 132 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ky4 s THR 133 N -2.69 2.85 0.40 -3.53 2.01 -0.91 -2.57 115.64 111.20 2ky4 s THR 133 Ca 0.23 -1.48 -0.27 0.00 0.31 0.00 0.00 61.69 60.48 2ky4 s THR 133 Cb 0.20 -2.30 -0.09 0.00 0.01 0.00 0.00 72.50 70.31 2ky4 s THR 133 CO 0.50 0.11 1.39 -0.69 -0.69 0.00 0.00 174.62 175.25 2ky4 s VAL 134 N -1.13 2.30 -0.95 3.82 1.01 -1.23 -4.39 120.40 119.84 2ky4 s VAL 134 Ca 0.18 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2ky4 s VAL 134 Cb -0.11 -3.18 -0.19 0.00 0.00 0.00 0.00 36.38 32.91 2ky4 s VAL 134 CO 0.10 0.05 1.95 -0.81 0.00 0.00 0.00 175.10 176.39 2ky4 n PRO 135 N 0.23 0.87 -2.40 2.72 -0.04 -1.26 -4.88 135.00 130.25 2ky4 n PRO 135 Ca 0.03 -1.94 -0.37 0.00 -0.04 0.00 0.00 63.50 61.18 2ky4 n PRO 135 Cb 0.41 -3.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.30 2ky4 n PRO 135 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ky4 s TYR 136 N 11.92 2.38 -0.78 0.54 1.13 -1.26 -4.92 117.35 126.37 2ky4 s TYR 136 Ca 0.72 -0.61 -0.24 0.00 -1.41 0.00 0.00 57.07 55.54 2ky4 s TYR 136 Cb 0.02 -4.50 -0.17 0.00 -1.10 0.00 0.00 41.96 36.21 2ky4 s TYR 136 CO 0.18 -1.76 2.41 2.89 -2.51 0.00 0.00 175.55 176.76 2ky4 n ARG 137 N 8.66 0.50 -0.01 -3.49 1.85 -1.26 -4.76 116.66 118.15 2ky4 n ARG 137 Ca 0.41 -0.30 0.14 0.00 -1.00 0.00 0.00 57.85 57.09 2ky4 n ARG 137 Cb 0.48 -2.75 0.71 0.00 -1.05 0.00 0.00 32.46 29.85 2ky4 n ARG 137 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2ky4 n ARG 138 N 8.18 1.23 -2.19 2.89 0.63 -1.26 -4.89 116.66 121.25 2ky4 n ARG 138 Ca 0.51 -0.34 -0.42 0.00 -0.92 0.00 0.00 57.85 56.68 2ky4 n ARG 138 Cb 0.34 -1.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.78 2ky4 n ARG 138 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2ky4 s PHE 139 N -1.98 3.26 -1.48 -0.14 0.40 -1.26 -4.91 117.98 111.86 2ky4 s PHE 139 Ca 0.40 0.98 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 2ky4 s PHE 139 Cb 0.19 -3.66 0.23 0.00 0.51 0.00 0.00 43.02 40.29 2ky4 s PHE 139 CO 0.32 -2.29 0.95 -0.35 0.70 0.00 0.00 175.22 174.55 2ky4 n PRO 140 N 3.96 0.07 0.29 0.24 -0.04 -1.26 -2.90 135.00 135.37 2ky4 n PRO 140 Ca 0.11 0.22 0.16 0.00 -0.04 0.00 0.00 63.50 63.96 2ky4 n PRO 140 Cb 0.43 -1.50 0.91 0.00 -0.04 0.00 0.00 33.50 33.29 2ky4 n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ky4 h THR 141 N 0.00 0.39 0.00 0.52 1.03 -1.96 -2.78 112.91 110.11 2ky4 h THR 141 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 2ky4 h THR 141 Cb 0.04 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 2ky4 h THR 141 CO 0.00 0.04 -0.95 0.18 -0.01 0.00 0.00 175.52 174.78 2ky4 n LEU 142 N -3.56 0.79 -4.57 0.00 4.77 -1.14 -4.87 117.00 108.42 2ky4 n LEU 142 Ca -0.02 -0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 55.18 2ky4 n LEU 142 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2ky4 n LEU 142 CO 0.27 0.20 1.48 -1.61 -1.33 0.00 0.00 177.39 176.39 2ky4 s GLU 143 N -2.77 2.92 -0.05 3.23 2.02 -1.05 -4.69 118.70 118.30 2ky4 s GLU 143 Ca 0.06 -0.85 0.15 0.00 0.02 0.00 0.00 54.97 54.35 2ky4 s GLU 143 Cb 0.14 -5.22 0.49 0.00 0.10 0.00 0.00 34.13 29.63 2ky4 s GLU 143 CO 0.75 -3.14 1.41 1.58 0.02 0.00 0.00 175.26 175.88 2ky4 n HIS 144 N 12.36 0.84 -4.49 1.61 -0.00 -1.26 -5.00 115.22 119.27 2ky4 n HIS 144 Ca 0.41 -0.58 -0.25 0.00 0.46 0.00 0.00 57.72 57.76 2ky4 n HIS 144 Cb 0.48 -0.11 -0.08 0.00 -0.12 0.00 0.00 29.99 30.16 2ky4 n HIS 144 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ky4 s HIS 145 N -1.43 1.78 -0.47 1.57 3.76 -1.26 -5.10 115.29 114.13 2ky4 s HIS 145 Ca 0.36 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.71 2ky4 s HIS 145 Cb 0.22 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 2ky4 s HIS 145 CO 0.20 -0.32 1.91 -1.01 -0.85 0.00 0.00 174.74 174.67 2ky4 s HIS 146 N -3.25 1.63 -0.20 1.40 0.09 -1.26 -4.94 115.29 108.76 2ky4 s HIS 146 Ca 0.26 0.82 -0.05 0.00 -0.00 0.00 0.00 55.06 56.08 2ky4 s HIS 146 Cb 0.03 -4.04 0.10 0.00 -0.00 0.00 0.00 32.58 28.67 2ky4 s HIS 146 CO 0.15 -2.64 0.38 -1.58 -0.00 0.00 0.00 174.74 171.05 2ky4 s HIS 147 N 8.58 -0.74 -0.58 1.40 5.04 -1.26 -5.12 115.29 122.61 2ky4 s HIS 147 Ca 0.77 1.22 -0.26 0.00 -1.54 0.00 0.00 55.06 55.25 2ky4 s HIS 147 Cb -0.18 0.16 -0.04 0.00 0.04 0.00 0.00 32.58 32.56 2ky4 s HIS 147 CO 0.27 -0.53 2.08 -1.01 -2.34 0.00 0.00 174.74 173.21 2ky4 s HIS 148 N 2.56 1.43 0.00 3.88 3.76 -1.26 -5.14 115.29 120.52 2ky4 s HIS 148 Ca 0.03 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2ky4 s HIS 148 Cb -0.13 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.68 2ky4 s HIS 148 CO -0.13 -2.35 0.49 1.58 -0.85 0.00 0.00 174.74 173.48