#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky4 s LYS 2 N 0.00 1.39 0.11 0.03 1.02 -1.26 -5.04 119.74 115.99 2ky4 s LYS 2 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.25 2ky4 s LYS 2 Cb 0.00 -0.09 -0.19 0.00 -0.52 0.00 0.00 37.83 37.03 2ky4 s LYS 2 CO 0.00 -0.35 1.25 0.28 -0.92 0.00 0.00 175.35 175.61 2ky4 h VAL 3 N 2.42 1.56 0.00 3.17 2.07 -2.04 -3.47 116.25 119.96 2ky4 h VAL 3 Ca -0.37 -3.05 0.00 0.00 0.82 0.00 0.00 66.70 64.10 2ky4 h VAL 3 Cb 1.25 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2ky4 h VAL 3 CO 0.57 0.88 0.00 0.49 0.02 0.00 0.00 177.57 179.54 2ky4 n PHE 4 N -3.51 0.00 -1.49 1.57 3.72 -1.26 -2.33 117.46 114.15 2ky4 n PHE 4 Ca -0.05 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.80 2ky4 n PHE 4 Cb 0.94 -0.84 -0.08 0.00 -0.94 0.00 0.00 39.48 38.56 2ky4 n PHE 4 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2ky4 n LYS 5 N -2.00 0.83 -1.53 -1.08 2.85 -1.26 -4.75 118.16 111.23 2ky4 n LYS 5 Ca 0.00 0.26 -0.27 0.00 -1.05 0.00 0.00 58.31 57.25 2ky4 n LYS 5 Cb 0.00 -2.11 -0.11 0.00 -0.65 0.00 0.00 35.03 32.16 2ky4 n LYS 5 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2ky4 n ARG 6 N 7.07 0.45 -0.63 -1.58 3.00 -0.37 -4.94 116.66 119.65 2ky4 n ARG 6 Ca 0.39 -0.25 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 2ky4 n ARG 6 Cb 0.13 -2.57 0.09 0.00 0.00 0.00 0.00 32.46 30.11 2ky4 n ARG 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2ky4 n VAL 7 N 7.58 0.00 -2.42 5.15 0.31 -1.26 -4.95 118.33 122.74 2ky4 n VAL 7 Ca 0.53 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.42 2ky4 n VAL 7 Cb 0.31 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 2ky4 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ky4 s ALA 8 N -2.04 3.40 0.00 3.52 0.00 -1.26 -4.23 121.76 121.14 2ky4 s ALA 8 Ca 0.24 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2ky4 s ALA 8 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2ky4 s ALA 8 CO 0.24 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2ky4 n GLY 9 N 2.75 0.00 3.74 0.00 0.00 -1.26 -4.85 105.19 105.56 2ky4 n GLY 9 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ky4 n GLY 9 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ky4 s ILE 10 N 0.00 2.93 -0.79 -0.61 1.10 -1.26 -4.94 121.20 117.64 2ky4 s ILE 10 Ca 0.00 0.76 0.26 0.00 -0.51 0.00 0.00 60.65 61.16 2ky4 s ILE 10 Cb 0.00 -3.49 0.18 0.00 0.15 0.00 0.00 42.46 39.31 2ky4 s ILE 10 CO 0.00 0.11 1.64 2.29 -2.11 0.00 0.00 174.94 176.88 2ky4 n LYS 11 N 2.61 0.19 -2.66 3.50 2.85 -1.26 -4.88 118.16 118.52 2ky4 n LYS 11 Ca 0.07 0.12 -0.43 0.00 -1.05 0.00 0.00 58.31 57.02 2ky4 n LYS 11 Cb 0.41 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 33.09 2ky4 n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2ky4 s ASP 12 N -4.00 6.72 0.05 -5.58 1.11 -1.26 -4.89 116.67 108.82 2ky4 s ASP 12 Ca 0.10 0.62 0.11 0.00 0.18 0.00 0.00 52.55 53.56 2ky4 s ASP 12 Cb 0.14 -2.53 0.47 0.00 1.07 0.00 0.00 42.92 42.08 2ky4 s ASP 12 CO 0.63 -1.08 1.33 0.29 1.18 0.00 0.00 175.17 177.52 2ky4 n LYS 13 N 7.37 0.03 -0.02 8.23 4.01 -1.26 -1.20 118.16 135.32 2ky4 n LYS 13 Ca 0.11 0.39 -0.12 0.00 -0.51 0.00 0.00 58.31 58.18 2ky4 n LYS 13 Cb 0.48 -1.58 -0.10 0.00 -0.51 0.00 0.00 35.03 33.32 2ky4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ky4 h ALA 14 N 2.25 -0.05 -0.51 7.82 0.00 -1.99 -2.02 119.26 124.76 2ky4 h ALA 14 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ky4 h ALA 14 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ky4 h ALA 14 CO 0.00 -0.15 0.34 0.00 0.00 0.00 0.00 179.25 179.44 2ky4 h ALA 15 N 0.05 1.75 0.02 0.00 0.00 -1.75 -2.22 119.26 117.11 2ky4 h ALA 15 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ky4 h ALA 15 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ky4 h ALA 15 CO 0.01 0.20 -0.16 0.82 0.00 0.00 0.00 179.25 180.12 2ky4 h ILE 16 N 0.59 1.68 -0.28 0.00 1.08 -1.25 -3.17 117.51 116.15 2ky4 h ILE 16 Ca 0.20 -2.19 -0.06 0.00 -0.39 0.00 0.00 64.86 62.42 2ky4 h ILE 16 Cb 0.08 3.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.96 2ky4 h ILE 16 CO -0.05 0.58 -0.07 0.50 -0.69 0.00 0.00 178.15 178.42 2ky4 h LYS 17 N -0.77 0.54 -0.62 2.37 3.64 -1.33 -1.92 116.57 118.48 2ky4 h LYS 17 Ca -0.02 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2ky4 h LYS 17 Cb 1.04 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2ky4 h LYS 17 CO 0.03 0.74 0.20 1.15 -2.27 0.00 0.00 179.45 179.31 2ky4 h THR 18 N 0.30 1.23 -0.25 1.00 2.02 -1.59 -0.59 112.91 115.03 2ky4 h THR 18 Ca 0.07 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.52 2ky4 h THR 18 Cb 0.54 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 2ky4 h THR 18 CO 0.03 0.31 -0.16 0.25 0.37 0.00 0.00 175.52 176.32 2ky4 h LEU 19 N 0.91 -0.51 -0.74 2.58 5.85 -1.50 -2.39 115.31 119.52 2ky4 h LEU 19 Ca 0.21 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 2ky4 h LEU 19 Cb 0.25 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2ky4 h LEU 19 CO -0.01 -0.19 -0.13 0.40 -0.34 0.00 0.00 178.44 178.16 2ky4 h ILE 20 N -0.14 1.26 0.17 4.05 2.04 -0.91 -0.73 117.51 123.25 2ky4 h ILE 20 Ca 0.14 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2ky4 h ILE 20 Cb 0.34 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2ky4 h ILE 20 CO -0.33 0.42 -0.08 0.77 0.00 0.00 0.00 178.15 178.92 2ky4 h SER 21 N 0.73 -0.19 -0.01 1.72 4.64 -1.07 -2.84 113.55 116.54 2ky4 h SER 21 Ca 0.12 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2ky4 h SER 21 Cb 0.63 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2ky4 h SER 21 CO 0.04 0.25 0.01 0.00 -0.87 0.00 0.00 176.83 176.26 2ky4 h ALA 22 N 0.01 1.66 -0.35 5.18 0.00 -1.49 -1.52 119.26 122.74 2ky4 h ALA 22 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ky4 h ALA 22 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2ky4 h ALA 22 CO 0.04 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.42 2ky4 h ALA 23 N 1.99 1.60 0.01 0.00 0.00 -0.96 -3.13 119.26 118.77 2ky4 h ALA 23 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2ky4 h ALA 23 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ky4 h ALA 23 CO -0.00 0.32 -0.11 1.88 0.00 0.00 0.00 179.25 181.34 2ky4 h TYR 24 N 0.50 0.08 -0.61 0.00 0.05 -1.07 -3.39 116.97 112.52 2ky4 h TYR 24 Ca 0.12 -0.05 0.18 0.00 0.05 0.00 0.00 58.73 59.03 2ky4 h TYR 24 Cb 0.09 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2ky4 h TYR 24 CO 0.00 0.98 0.63 0.00 -1.05 0.00 0.00 178.16 178.73 2ky4 h ARG 25 N -0.85 0.00 0.00 4.88 3.08 -1.29 0.23 114.38 120.43 2ky4 h ARG 25 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2ky4 h ARG 25 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2ky4 h ARG 25 CO 0.02 0.00 -0.47 0.37 -1.07 0.00 0.00 179.97 178.82 2ky4 h GLN 26 N 0.00 0.00 0.44 0.04 -0.00 -1.78 -2.98 115.11 110.83 2ky4 h GLN 26 Ca 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 2ky4 h GLN 26 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.04 2ky4 h GLN 26 CO -0.00 0.15 -0.21 0.82 0.00 0.00 0.00 178.83 179.58 2ky4 h ILE 27 N -1.00 0.50 0.00 2.39 5.03 -1.65 -2.87 117.51 119.91 2ky4 h ILE 27 Ca -0.04 -0.43 -0.05 0.00 -0.12 0.00 0.00 64.86 64.22 2ky4 h ILE 27 Cb 0.51 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 2ky4 h ILE 27 CO -0.02 0.07 -0.24 -0.26 -0.68 0.00 0.00 178.15 177.01 2ky4 h PHE 28 N -0.86 0.00 -2.38 1.37 0.04 -1.23 -3.47 116.94 110.41 2ky4 h PHE 28 Ca -0.06 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.45 2ky4 h PHE 28 Cb 0.56 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.72 2ky4 h PHE 28 CO 0.01 0.24 -0.36 -1.91 -0.60 0.00 0.00 178.31 175.69 2ky4 n GLU 29 N -3.82 -1.99 -3.57 1.51 2.13 -1.09 -4.94 120.64 108.87 2ky4 n GLU 29 Ca -0.02 0.60 -0.11 0.00 0.66 0.00 0.00 57.16 58.30 2ky4 n GLU 29 Cb 0.34 -4.79 -0.05 0.00 0.27 0.00 0.00 31.44 27.21 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 -4.93 0.63 -0.41 5.31 1.70 -1.19 -4.99 118.95 115.07 2ky4 s ARG 30 Ca 0.09 0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.19 2ky4 s ARG 30 Cb -0.04 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.64 2ky4 s ARG 30 CO 0.11 -0.20 1.58 -0.51 -1.08 0.00 0.00 175.30 175.20 2ky4 s ASP 31 N -1.21 6.09 0.25 -2.89 1.01 -1.26 -3.64 116.67 115.02 2ky4 s ASP 31 Ca -0.02 0.92 -0.31 0.00 0.71 0.00 0.00 52.55 53.85 2ky4 s ASP 31 Cb -0.00 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 2ky4 s ASP 31 CO 0.01 -1.62 1.62 -0.63 0.21 0.00 0.00 175.17 174.77 2ky4 s ILE 32 N 6.25 2.14 0.30 0.77 -1.09 -1.26 -4.98 121.20 123.33 2ky4 s ILE 32 Ca 0.68 0.11 -0.29 0.00 -2.23 0.00 0.00 60.65 58.91 2ky4 s ILE 32 Cb -0.16 -3.07 -0.10 0.00 -1.58 0.00 0.00 42.46 37.54 2ky4 s ILE 32 CO 0.32 0.01 1.36 0.00 -1.23 0.00 0.00 174.94 175.40 2ky4 s ALA 33 N 0.48 3.54 0.30 9.38 0.00 -1.26 -4.78 121.76 129.41 2ky4 s ALA 33 Ca 0.67 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.97 2ky4 s ALA 33 Cb -0.48 -3.51 0.76 0.00 0.00 0.00 0.00 23.12 19.90 2ky4 s ALA 33 CO 0.41 -0.69 1.67 -1.35 0.00 0.00 0.00 175.76 175.80 2ky4 h PRO 34 N 4.00 0.30 -0.11 0.00 0.11 -2.00 -0.06 132.00 134.25 2ky4 h PRO 34 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2ky4 h PRO 34 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2ky4 h PRO 34 CO 0.70 0.20 -0.48 0.10 -0.21 0.00 0.00 178.00 178.31 2ky4 h TYR 35 N 0.31 0.33 -0.15 0.65 -0.00 -2.00 -2.69 116.97 113.42 2ky4 h TYR 35 Ca 0.58 -0.10 -0.17 0.00 -0.00 0.00 0.00 58.73 59.04 2ky4 h TYR 35 Cb 1.16 -0.07 0.01 0.00 -0.00 0.00 0.00 36.73 37.82 2ky4 h TYR 35 CO -0.17 0.70 -0.55 0.82 -0.00 0.00 0.00 178.16 178.96 2ky4 h ILE 36 N 0.22 1.33 -0.50 -0.90 2.04 -1.39 -2.65 117.51 115.65 2ky4 h ILE 36 Ca 0.01 -1.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.01 2ky4 h ILE 36 Cb 0.93 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2ky4 h ILE 36 CO 0.08 0.56 0.12 0.00 0.00 0.00 0.00 178.15 178.91 2ky4 h ALA 37 N 0.53 1.28 0.14 1.87 0.00 -1.41 -2.27 119.26 119.40 2ky4 h ALA 37 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 2ky4 h ALA 37 Cb 1.18 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ky4 h ALA 37 CO 0.12 0.51 -1.26 -0.56 0.00 0.00 0.00 179.25 178.06 2ky4 h GLN 38 N 0.74 0.36 0.15 0.00 3.07 -1.50 -3.02 115.11 114.90 2ky4 h GLN 38 Ca 0.16 -0.57 -0.23 0.00 0.09 0.00 0.00 58.65 58.11 2ky4 h GLN 38 Cb 0.27 0.21 0.02 0.00 0.08 0.00 0.00 27.48 28.05 2ky4 h GLN 38 CO -0.00 1.26 -1.05 -2.95 0.09 0.00 0.00 178.83 176.18 2ky4 h ASN 39 N 0.12 0.48 0.32 0.06 7.08 -1.47 -3.26 115.58 118.90 2ky4 h ASN 39 Ca -0.15 -0.92 -0.02 0.00 -3.08 0.00 0.00 56.30 52.13 2ky4 h ASN 39 Cb 1.96 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 38.05 2ky4 h ASN 39 CO 0.22 1.49 -0.15 -0.33 -2.08 0.00 0.00 177.43 176.57 2ky4 h GLU 40 N -0.30 -0.41 -1.42 4.14 4.39 -1.58 -3.35 114.58 116.06 2ky4 h GLU 40 Ca -0.20 0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.22 2ky4 h GLU 40 Cb 1.73 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 30.33 2ky4 h GLU 40 CO 0.14 -0.27 0.40 1.19 -1.16 0.00 0.00 179.01 179.31 2ky4 n PHE 41 N -4.97 1.55 -0.03 4.33 3.72 -1.14 -4.53 117.46 116.39 2ky4 n PHE 41 Ca -0.05 -1.82 -0.13 0.00 -0.05 0.00 0.00 57.45 55.39 2ky4 n PHE 41 Cb 0.17 -0.89 -0.11 0.00 -0.94 0.00 0.00 39.48 37.71 2ky4 n PHE 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2ky4 h SER 42 N 1.29 0.02 0.60 4.37 4.64 -1.69 -1.53 113.55 121.24 2ky4 h SER 42 Ca 0.30 -0.60 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2ky4 h SER 42 Cb 1.10 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2ky4 h SER 42 CO 0.73 0.62 -0.35 1.23 -0.87 0.00 0.00 176.83 178.18 2ky4 h GLY 43 N -0.58 0.00 1.20 -0.77 0.00 -1.89 -3.10 103.07 97.92 2ky4 h GLY 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2ky4 h GLY 43 CO 0.00 0.00 -1.54 -0.25 0.00 0.00 0.00 176.54 174.75 2ky4 h TRP 44 N 0.00 0.86 0.00 5.60 -0.00 -1.85 -3.13 115.95 117.43 2ky4 h TRP 44 Ca -0.00 -0.63 -0.08 0.00 -0.00 0.00 0.00 58.89 58.17 2ky4 h TRP 44 Cb 0.75 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.86 2ky4 h TRP 44 CO 0.00 1.57 -0.40 1.05 -0.00 0.00 0.00 178.44 180.66 2ky4 h GLU 45 N 0.13 0.00 -0.42 2.65 4.11 -1.37 -3.19 114.58 116.49 2ky4 h GLU 45 Ca -0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.08 2ky4 h GLU 45 Cb 2.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.37 2ky4 h GLU 45 CO 0.24 0.40 -0.07 0.77 0.07 0.00 0.00 179.01 180.42 2ky4 h SER 46 N 0.00 0.70 -0.32 3.06 0.02 -1.51 -0.73 113.55 114.77 2ky4 h SER 46 Ca -0.00 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 2ky4 h SER 46 Cb 0.74 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2ky4 h SER 46 CO 0.05 0.82 -0.21 0.11 -1.14 0.00 0.00 176.83 176.46 2ky4 h LYS 47 N 0.66 0.81 -0.28 3.45 1.57 -1.53 -0.53 116.57 120.71 2ky4 h LYS 47 Ca 0.12 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 2ky4 h LYS 47 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2ky4 h LYS 47 CO 0.03 0.95 -0.43 1.25 -0.57 0.00 0.00 179.45 180.68 2ky4 h LEU 48 N 0.70 0.76 -0.89 2.94 5.85 -1.52 -0.81 115.31 122.34 2ky4 h LEU 48 Ca 0.10 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 2ky4 h LEU 48 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2ky4 h LEU 48 CO 0.06 1.09 -0.51 1.23 -0.34 0.00 0.00 178.44 179.97 2ky4 h GLY 49 N 0.94 0.00 -0.56 3.75 0.00 -0.98 -2.95 103.07 103.27 2ky4 h GLY 49 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2ky4 h GLY 49 CO 0.09 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.62 2ky4 n ASN 50 N -3.75 1.35 -3.03 0.19 5.15 -0.22 -4.94 115.26 110.01 2ky4 n ASN 50 Ca -0.01 -1.66 -0.19 0.00 -0.60 0.00 0.00 54.58 52.12 2ky4 n ASN 50 Cb 0.55 -0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.71 2ky4 n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ky4 n GLY 51 N 1.06 -0.49 0.00 8.20 0.00 -1.11 -4.95 105.19 107.90 2ky4 n GLY 51 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2ky4 n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ky4 n GLU 52 N -3.40 0.00 0.00 1.61 1.02 -0.33 -4.95 120.64 114.58 2ky4 n GLU 52 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2ky4 n GLU 52 Cb 0.56 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 2ky4 n GLU 52 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2ky4 n ILE 53 N -0.50 0.00 -4.50 -3.67 -5.35 -1.24 -5.05 119.36 99.06 2ky4 n ILE 53 Ca 0.00 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.24 2ky4 n ILE 53 Cb 0.00 -0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 37.50 2ky4 n ILE 53 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2ky4 s THR 54 N -0.44 1.08 0.26 7.28 -4.23 -1.26 -4.90 115.64 113.43 2ky4 s THR 54 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2ky4 s THR 54 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2ky4 s THR 54 CO 0.00 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.27 2ky4 h VAL 55 N 1.96 1.37 -0.64 2.29 2.07 -1.43 -0.58 116.25 121.30 2ky4 h VAL 55 Ca -0.40 -1.86 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 2ky4 h VAL 55 Cb 1.26 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 2ky4 h VAL 55 CO 0.67 0.55 0.12 0.50 0.02 0.00 0.00 177.57 179.43 2ky4 h LYS 56 N 0.17 1.03 0.00 1.57 3.64 -1.72 -2.36 116.57 118.89 2ky4 h LYS 56 Ca 0.00 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 2ky4 h LYS 56 Cb 1.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2ky4 h LYS 56 CO 0.08 0.93 -0.58 1.49 -2.27 0.00 0.00 179.45 179.10 2ky4 h GLU 57 N 0.97 0.00 -0.08 1.90 4.22 -1.81 -1.98 114.58 117.79 2ky4 h GLU 57 Ca 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.64 2ky4 h GLU 57 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ky4 h GLU 57 CO 0.01 0.58 0.04 0.35 -2.18 0.00 0.00 179.01 177.81 2ky4 h PHE 58 N 0.00 0.11 -0.01 0.92 3.57 -1.04 -3.07 116.94 117.42 2ky4 h PHE 58 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ky4 h PHE 58 Cb 1.41 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 2ky4 h PHE 58 CO 0.00 0.18 0.01 0.82 -2.23 0.00 0.00 178.31 177.09 2ky4 h ILE 59 N 0.01 0.80 -0.77 1.41 2.04 -1.22 -2.38 117.51 117.42 2ky4 h ILE 59 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2ky4 h ILE 59 Cb 0.11 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2ky4 h ILE 59 CO -0.00 0.00 0.47 -0.08 0.00 0.00 0.00 178.15 178.53 2ky4 h GLU 60 N 0.00 1.04 0.00 2.37 4.57 -1.26 -2.11 114.58 119.18 2ky4 h GLU 60 Ca 0.00 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 2ky4 h GLU 60 Cb 0.02 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2ky4 h GLU 60 CO -0.00 0.73 -0.47 0.78 -1.18 0.00 0.00 179.01 178.86 2ky4 h GLY 61 N 1.05 0.00 1.08 1.92 0.00 -1.47 -3.22 103.07 102.42 2ky4 h GLY 61 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 2ky4 h GLY 61 CO -0.05 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.63 2ky4 h LEU 62 N 0.00 0.95 -2.37 3.11 3.38 -1.20 -2.71 115.31 116.46 2ky4 h LEU 62 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2ky4 h LEU 62 Cb 1.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2ky4 h LEU 62 CO 0.04 1.17 -0.03 1.23 0.09 0.00 0.00 178.44 180.95 2ky4 h GLY 63 N 0.73 0.00 1.52 0.83 0.00 -1.45 -2.62 103.07 102.07 2ky4 h GLY 63 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2ky4 h GLY 63 CO 0.07 0.00 -0.31 -1.72 0.00 0.00 0.00 176.54 174.59 2ky4 n TYR 64 N -3.72 0.40 -2.42 5.60 4.01 -1.04 -4.86 117.16 115.14 2ky4 n TYR 64 Ca -0.03 0.12 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 2ky4 n TYR 64 Cb 0.12 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 38.53 2ky4 n TYR 64 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ky4 s SER 65 N -3.75 6.97 0.38 7.72 0.15 -0.99 -4.93 113.70 119.24 2ky4 s SER 65 Ca 0.10 1.76 0.25 0.00 0.70 0.00 0.00 55.95 58.76 2ky4 s SER 65 Cb 0.15 -2.55 1.37 0.00 -1.71 0.00 0.00 66.02 63.29 2ky4 s SER 65 CO 0.64 -0.71 1.78 -1.13 1.20 0.00 0.00 173.24 175.02 2ky4 h ASN 66 N 7.97 0.00 0.85 5.45 -1.24 -1.89 -3.26 115.58 123.46 2ky4 h ASN 66 Ca -0.30 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.67 2ky4 h ASN 66 Cb 1.13 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.18 2ky4 h ASN 66 CO 0.94 0.00 -0.43 0.25 -1.29 0.00 0.00 177.43 176.90 2ky4 h LEU 67 N 0.00 -1.02 -1.13 0.34 5.85 -1.94 0.25 115.31 117.67 2ky4 h LEU 67 Ca 0.00 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.95 2ky4 h LEU 67 Cb 0.01 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 2ky4 h LEU 67 CO 0.00 -0.71 0.61 0.22 -0.34 0.00 0.00 178.44 178.22 2ky4 h TYR 68 N -1.17 0.95 0.00 1.25 3.20 -1.91 -2.20 116.97 117.10 2ky4 h TYR 68 Ca -0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 2ky4 h TYR 68 Cb 0.90 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2ky4 h TYR 68 CO 0.01 0.23 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.38 2ky4 h LEU 69 N 0.70 0.00 -0.05 2.82 -0.00 -1.59 -1.08 115.31 116.10 2ky4 h LEU 69 Ca 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.42 2ky4 h LEU 69 Cb 0.94 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2ky4 h LEU 69 CO -0.32 0.32 0.01 0.50 -0.00 0.00 0.00 178.44 178.95 2ky4 h LYS 70 N 0.00 0.08 0.54 1.13 3.64 0.16 -1.79 116.57 120.33 2ky4 h LYS 70 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2ky4 h LYS 70 Cb 0.72 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2ky4 h LYS 70 CO 0.04 0.27 -0.26 0.93 -2.27 0.00 0.00 179.45 178.17 2ky4 h GLU 71 N -0.12 -0.70 -2.36 1.90 4.39 -1.60 -3.37 114.58 112.72 2ky4 h GLU 71 Ca 0.02 0.05 -0.65 0.00 0.34 0.00 0.00 59.36 59.11 2ky4 h GLU 71 Cb 0.23 0.16 -0.39 0.00 -0.10 0.00 0.00 28.75 28.65 2ky4 h GLU 71 CO -0.00 -0.39 -0.25 1.19 -1.16 0.00 0.00 179.01 178.40 2ky4 n PHE 72 N -5.32 3.34 0.08 4.33 3.72 -0.41 -4.49 117.46 118.71 2ky4 n PHE 72 Ca -0.11 -3.76 0.00 0.00 -0.05 0.00 0.00 57.45 53.53 2ky4 n PHE 72 Cb 0.33 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 0.88 -2.85 -0.11 1.38 4.19 -0.68 -4.51 117.16 115.46 2ky4 n TYR 73 Ca 0.29 0.55 -0.13 0.00 3.31 0.00 0.00 57.90 61.93 2ky4 n TYR 73 Cb 0.39 1.62 -0.02 0.00 0.49 0.00 0.00 39.34 41.82 2ky4 n TYR 73 CO 0.00 0.00 0.00 1.79 0.91 0.00 0.00 176.86 179.56 2ky4 h THR 74 N 0.00 1.27 -0.02 2.97 1.35 -1.69 -3.29 112.91 113.50 2ky4 h THR 74 Ca 0.00 -1.58 -0.19 0.00 -0.55 0.00 0.00 66.41 64.08 2ky4 h THR 74 Cb 0.00 1.42 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2ky4 h THR 74 CO 0.00 0.53 -0.74 -0.65 -0.25 0.00 0.00 175.52 174.40 2ky4 h PRO 75 N 0.74 0.54 -7.01 4.72 0.11 -1.79 -3.47 132.00 125.84 2ky4 h PRO 75 Ca 0.05 -0.55 -0.48 0.00 0.11 0.00 0.00 66.00 65.14 2ky4 h PRO 75 Cb 1.00 0.15 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2ky4 h PRO 75 CO 0.10 1.18 0.40 0.71 -0.21 0.00 0.00 178.00 180.17 2ky4 s TYR 76 N -3.32 3.17 0.54 0.65 1.51 -1.24 -5.05 117.35 113.62 2ky4 s TYR 76 Ca -0.12 1.62 -0.21 0.00 -1.01 0.00 0.00 57.07 57.35 2ky4 s TYR 76 Cb 0.05 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.76 2ky4 s TYR 76 CO 0.86 -0.66 1.22 -1.25 -1.11 0.00 0.00 175.55 174.60 2ky4 s PRO 77 N -2.80 3.30 0.17 -1.71 0.04 -1.26 -4.83 135.00 127.91 2ky4 s PRO 77 Ca 0.61 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 2ky4 s PRO 77 Cb -0.19 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.29 2ky4 s PRO 77 CO 0.24 -0.96 1.67 -0.97 0.04 0.00 0.00 177.00 177.03 2ky4 h ASN 78 N 1.41 -0.32 -0.77 6.66 -1.24 -1.97 -0.91 115.58 118.44 2ky4 h ASN 78 Ca -0.50 0.11 0.14 0.00 0.71 0.00 0.00 56.30 56.76 2ky4 h ASN 78 Cb 1.28 0.23 -0.09 0.00 0.73 0.00 0.00 38.32 40.46 2ky4 h ASN 78 CO 0.57 -0.11 0.33 0.74 -1.29 0.00 0.00 177.43 177.67 2ky4 h THR 79 N 0.02 0.68 -0.49 -3.57 2.02 -1.97 -2.27 112.91 107.32 2ky4 h THR 79 Ca 0.19 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 2ky4 h THR 79 Cb 0.29 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2ky4 h THR 79 CO -0.39 0.09 0.02 0.50 0.37 0.00 0.00 175.52 176.10 2ky4 h LYS 80 N 0.48 0.81 0.00 6.66 1.63 -1.57 -2.79 116.57 121.79 2ky4 h LYS 80 Ca 0.42 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2ky4 h LYS 80 Cb 0.62 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2ky4 h LYS 80 CO -0.39 0.80 -0.10 0.28 -3.45 0.00 0.00 179.45 176.59 2ky4 h VAL 81 N 0.76 0.52 0.18 2.00 2.07 -0.79 -2.43 116.25 118.56 2ky4 h VAL 81 Ca 0.15 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2ky4 h VAL 81 Cb 0.43 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2ky4 h VAL 81 CO 0.02 0.10 -0.08 0.40 0.02 0.00 0.00 177.57 178.02 2ky4 h ILE 82 N 0.00 0.84 0.00 4.57 2.04 -1.25 0.27 117.51 123.99 2ky4 h ILE 82 Ca -0.00 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2ky4 h ILE 82 Cb 0.29 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2ky4 h ILE 82 CO 0.01 0.21 -0.08 1.05 0.00 0.00 0.00 178.15 179.34 2ky4 h GLU 83 N -0.84 0.00 0.11 2.37 4.11 -1.55 -1.77 114.58 117.01 2ky4 h GLU 83 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.26 2ky4 h GLU 83 Cb 0.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 2ky4 h GLU 83 CO 0.04 0.08 -0.63 1.25 0.07 0.00 0.00 179.01 179.83 2ky4 h LEU 84 N 0.00 0.37 0.33 3.06 6.46 -1.46 -3.27 115.31 120.80 2ky4 h LEU 84 Ca -0.00 -0.96 -0.02 0.00 -0.12 0.00 0.00 57.88 56.78 2ky4 h LEU 84 Cb 0.30 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2ky4 h LEU 84 CO 0.01 1.30 -0.16 1.23 -0.62 0.00 0.00 178.44 180.20 2ky4 h GLY 85 N -0.50 -0.46 0.49 3.75 0.00 -0.61 -3.21 103.07 102.53 2ky4 h GLY 85 Ca -0.11 0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.51 2ky4 h GLY 85 CO 0.12 -0.17 0.62 -0.91 0.00 0.00 0.00 176.54 176.20 2ky4 h THR 86 N -0.68 0.91 -0.94 4.70 1.35 -1.52 -1.96 112.91 114.77 2ky4 h THR 86 Ca -0.05 -0.33 0.16 0.00 -0.55 0.00 0.00 66.41 65.65 2ky4 h THR 86 Cb 0.48 -0.13 -0.08 0.00 -1.73 0.00 0.00 68.15 66.69 2ky4 h THR 86 CO 0.07 0.17 0.60 0.50 -0.25 0.00 0.00 175.52 176.62 2ky4 h LYS 87 N 0.95 0.68 -0.50 4.72 3.64 -1.52 0.36 116.57 124.91 2ky4 h LYS 87 Ca 0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2ky4 h LYS 87 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ky4 h LYS 87 CO -0.25 0.45 0.00 0.72 -2.27 0.00 0.00 179.45 178.10 2ky4 n HIS 88 N -4.61 0.57 0.00 1.91 8.25 -0.74 -2.66 115.22 117.95 2ky4 n HIS 88 Ca 0.19 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2ky4 n HIS 88 Cb 0.52 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 0.33 -0.05 0.33 4.41 3.72 -0.74 -4.50 117.46 120.96 2ky4 n PHE 89 Ca 0.11 0.01 0.22 0.00 -0.05 0.00 0.00 57.45 57.73 2ky4 n PHE 89 Cb 0.39 0.37 1.13 0.00 -0.94 0.00 0.00 39.48 40.43 2ky4 n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ky4 h LEU 90 N 0.00 0.00 0.00 4.37 3.38 -0.55 -3.47 115.31 119.05 2ky4 h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ky4 h LEU 90 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ky4 h LEU 90 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2ky4 n GLY 91 N -0.89 0.85 3.75 0.83 0.00 -1.08 -4.96 105.19 103.69 2ky4 n GLY 91 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2ky4 n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ky4 s ARG 92 N -0.30 1.97 0.70 1.61 3.03 -1.26 -4.90 118.95 119.82 2ky4 s ARG 92 Ca 0.00 -1.32 -0.11 0.00 2.03 0.00 0.00 55.73 56.33 2ky4 s ARG 92 Cb 0.00 0.58 0.01 0.00 -1.03 0.00 0.00 34.95 34.51 2ky4 s ARG 92 CO 0.00 -0.89 1.06 0.00 -1.13 0.00 0.00 175.30 174.34 2ky4 s ALA 93 N -3.12 2.66 0.97 7.88 0.00 -1.26 -2.73 121.76 126.16 2ky4 s ALA 93 Ca 0.17 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 2ky4 s ALA 93 Cb -0.04 -3.16 0.12 0.00 0.00 0.00 0.00 23.12 20.04 2ky4 s ALA 93 CO 0.11 -1.25 0.27 -2.30 0.00 0.00 0.00 175.76 172.59 2ky4 n PRO 94 N -3.14 -2.01 -0.02 0.00 -0.02 -1.26 -4.99 135.00 123.56 2ky4 n PRO 94 Ca 0.07 -0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.12 2ky4 n PRO 94 Cb 0.54 -0.69 -0.14 0.00 -0.02 0.00 0.00 33.50 33.19 2ky4 n PRO 94 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2ky4 n ILE 95 N -3.76 0.72 -1.56 4.25 5.41 -1.26 -5.05 119.36 118.11 2ky4 n ILE 95 Ca 0.04 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.14 2ky4 n ILE 95 Cb 0.19 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 2ky4 n ILE 95 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2ky4 n ASP 96 N -2.57 0.00 0.08 4.38 5.75 -1.26 -5.04 116.55 117.90 2ky4 n ASP 96 Ca -0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.51 2ky4 n ASP 96 Cb 0.81 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.84 2ky4 n ASP 96 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2ky4 h GLN 97 N 0.00 0.34 -0.21 0.11 5.75 -2.00 -2.83 115.11 116.27 2ky4 h GLN 97 Ca 0.00 -0.41 -0.13 0.00 -0.15 0.00 0.00 58.65 57.96 2ky4 h GLN 97 Cb 0.00 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2ky4 h GLN 97 CO 0.00 1.11 -0.41 0.00 -2.65 0.00 0.00 178.83 176.88 2ky4 h ALA 98 N 0.74 0.91 -0.35 3.38 0.00 -1.99 -1.55 119.26 120.41 2ky4 h ALA 98 Ca -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2ky4 h ALA 98 Cb 1.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2ky4 h ALA 98 CO 0.17 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.69 2ky4 h GLU 99 N 0.40 0.30 -0.31 0.00 4.57 -1.96 -2.28 114.58 115.29 2ky4 h GLU 99 Ca 0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ky4 h GLU 99 Cb 0.89 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2ky4 h GLU 99 CO 0.08 0.20 0.21 0.82 -1.18 0.00 0.00 179.01 179.13 2ky4 h ILE 100 N 0.30 1.08 -0.03 2.32 2.04 -1.27 -3.12 117.51 118.84 2ky4 h ILE 100 Ca 0.15 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2ky4 h ILE 100 Cb 0.10 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2ky4 h ILE 100 CO -0.13 0.08 -0.37 0.03 0.00 0.00 0.00 178.15 177.76 2ky4 h ARG 101 N 0.42 0.06 -0.49 2.37 3.08 -1.20 0.34 114.38 118.96 2ky4 h ARG 101 Ca 0.11 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 2ky4 h ARG 101 Cb -0.04 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2ky4 h ARG 101 CO -0.02 0.42 0.10 -0.22 -1.07 0.00 0.00 179.97 179.18 2ky4 h LYS 102 N 0.05 0.23 0.00 0.04 3.64 -1.36 -1.25 116.57 117.92 2ky4 h LYS 102 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2ky4 h LYS 102 Cb 0.67 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2ky4 h LYS 102 CO 0.05 0.15 -0.20 1.88 -2.27 0.00 0.00 179.45 179.07 2ky4 h TYR 103 N 0.24 0.00 -0.06 1.91 0.05 -1.27 -2.69 116.97 115.15 2ky4 h TYR 103 Ca 0.24 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.83 2ky4 h TYR 103 Cb 0.32 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.07 2ky4 h TYR 103 CO -0.22 0.20 -0.74 -0.97 -1.05 0.00 0.00 178.16 175.38 2ky4 h ASN 104 N 0.00 0.76 -0.00 3.88 -0.73 -0.74 -2.90 115.58 115.84 2ky4 h ASN 104 Ca -0.00 -0.69 -0.00 0.00 1.87 0.00 0.00 56.30 57.47 2ky4 h ASN 104 Cb 1.06 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.43 2ky4 h ASN 104 CO 0.03 1.34 -0.01 -0.61 -0.37 0.00 0.00 177.43 177.80 2ky4 h GLN 105 N 0.24 0.01 -0.82 6.67 5.75 -1.20 -1.07 115.11 124.70 2ky4 h GLN 105 Ca -0.07 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.50 2ky4 h GLN 105 Cb 1.40 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.89 2ky4 h GLN 105 CO 0.15 0.61 0.53 0.82 -2.65 0.00 0.00 178.83 178.29 2ky4 h ILE 106 N -0.59 1.00 -0.01 2.39 2.04 -1.64 -1.60 117.51 119.12 2ky4 h ILE 106 Ca -0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2ky4 h ILE 106 Cb 0.62 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2ky4 h ILE 106 CO 0.00 0.15 -0.02 0.25 0.00 0.00 0.00 178.15 178.53 2ky4 h LEU 107 N 0.83 0.03 -0.69 1.44 6.46 -1.51 -2.57 115.31 119.29 2ky4 h LEU 107 Ca 0.36 -0.60 -0.07 0.00 -0.12 0.00 0.00 57.88 57.45 2ky4 h LEU 107 Cb 0.32 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2ky4 h LEU 107 CO -0.14 0.63 0.17 0.00 -0.62 0.00 0.00 178.44 178.48 2ky4 h ALA 108 N 0.40 0.91 0.10 1.25 0.00 -1.00 -1.14 119.26 119.80 2ky4 h ALA 108 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2ky4 h ALA 108 Cb 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ky4 h ALA 108 CO 0.00 0.64 -0.05 1.79 0.00 0.00 0.00 179.25 181.63 2ky4 h THR 109 N 1.04 0.00 0.12 0.00 1.35 -1.44 -3.43 112.91 110.56 2ky4 h THR 109 Ca 0.22 -0.36 -0.34 0.00 -0.55 0.00 0.00 66.41 65.38 2ky4 h THR 109 Cb 0.37 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.78 2ky4 h THR 109 CO 0.00 0.00 -1.78 1.56 -0.25 0.00 0.00 175.52 175.06 2ky4 h GLN 110 N -0.50 0.25 0.00 4.72 4.20 -1.57 -3.51 115.11 118.70 2ky4 h GLN 110 Ca -0.01 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2ky4 h GLN 110 Cb 0.11 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2ky4 h GLN 110 CO 0.02 1.10 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 2ky4 n GLY 111 N 1.81 2.31 0.25 3.46 0.00 -0.43 -4.79 105.19 107.81 2ky4 n GLY 111 Ca -0.24 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 43.92 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 1.69 1.06 -0.97 -0.61 6.09 -1.89 -2.65 117.51 120.23 2ky4 h ILE 112 Ca 0.00 -0.25 0.08 0.00 -1.37 0.00 0.00 64.86 63.32 2ky4 h ILE 112 Cb 0.00 1.04 -0.07 0.00 0.47 0.00 0.00 36.82 38.26 2ky4 h ILE 112 CO 0.00 0.08 0.61 0.08 -3.07 0.00 0.00 178.15 175.85 2ky4 h ARG 113 N 0.09 1.05 0.00 2.19 0.11 -1.89 -1.06 114.38 114.87 2ky4 h ARG 113 Ca 0.02 -0.06 -0.17 0.00 0.10 0.00 0.00 59.98 59.87 2ky4 h ARG 113 Cb 0.11 -0.24 -0.02 0.00 1.11 0.00 0.00 29.97 30.92 2ky4 h ARG 113 CO 0.00 0.69 -0.80 0.00 0.10 0.00 0.00 179.97 179.96 2ky4 h ALA 114 N 1.46 0.62 0.06 0.08 0.00 -1.78 -2.06 119.26 117.65 2ky4 h ALA 114 Ca 0.43 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ky4 h ALA 114 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ky4 h ALA 114 CO -0.20 1.01 -0.03 0.35 0.00 0.00 0.00 179.25 180.38 2ky4 h PHE 115 N 0.00 -0.08 -0.58 0.00 3.57 -1.39 -2.91 116.94 115.55 2ky4 h PHE 115 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ky4 h PHE 115 Cb 1.47 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 2ky4 h PHE 115 CO 0.00 0.19 0.38 0.82 -2.23 0.00 0.00 178.31 177.47 2ky4 h ILE 116 N -0.34 1.14 -0.99 1.41 1.08 -1.20 -2.80 117.51 115.81 2ky4 h ILE 116 Ca -0.01 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 2ky4 h ILE 116 Cb 0.30 0.30 -0.07 0.00 -3.07 0.00 0.00 36.82 34.27 2ky4 h ILE 116 CO 0.01 0.14 0.64 -1.13 -0.69 0.00 0.00 178.15 177.12 2ky4 h ASN 117 N 0.77 1.00 -0.12 1.72 -0.00 -1.42 -1.48 115.58 116.06 2ky4 h ASN 117 Ca 0.22 0.01 -0.07 0.00 -0.00 0.00 0.00 56.30 56.46 2ky4 h ASN 117 Cb -0.07 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.03 2ky4 h ASN 117 CO -0.05 0.62 -0.13 0.00 -0.00 0.00 0.00 177.43 177.87 2ky4 h ALA 118 N 1.48 1.27 0.22 1.57 0.00 -1.29 -1.07 119.26 121.45 2ky4 h ALA 118 Ca 0.44 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 2ky4 h ALA 118 Cb 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ky4 h ALA 118 CO -0.18 0.48 -1.42 -0.07 0.00 0.00 0.00 179.25 178.06 2ky4 h LEU 119 N 0.44 0.79 -0.61 0.00 3.38 -1.26 -2.49 115.31 115.55 2ky4 h LEU 119 Ca 0.08 -0.83 -0.15 0.00 0.09 0.00 0.00 57.88 57.07 2ky4 h LEU 119 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2ky4 h LEU 119 CO 0.03 1.65 -0.57 0.58 0.09 0.00 0.00 178.44 180.22 2ky4 h VAL 120 N 0.15 1.35 -0.69 1.22 2.07 -1.30 -3.16 116.25 115.89 2ky4 h VAL 120 Ca -0.23 -1.87 -0.15 0.00 0.82 0.00 0.00 66.70 65.27 2ky4 h VAL 120 Cb 2.12 1.89 -0.09 0.00 -1.52 0.00 0.00 31.29 33.69 2ky4 h VAL 120 CO 0.26 0.57 0.19 0.59 0.02 0.00 0.00 177.57 179.20 2ky4 n ASN 121 N -3.92 5.15 -4.73 0.57 3.02 -0.41 -4.54 115.26 110.40 2ky4 n ASN 121 Ca -0.03 -3.12 -0.41 0.00 -0.03 0.00 0.00 54.58 51.00 2ky4 n ASN 121 Cb 0.60 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.91 7.26 0.39 6.41 0.15 -0.94 -4.97 113.70 121.10 2ky4 s SER 122 Ca 0.55 1.52 0.22 0.00 0.70 0.00 0.00 55.95 58.93 2ky4 s SER 122 Cb 0.43 -2.51 1.24 0.00 -1.71 0.00 0.00 66.02 63.48 2ky4 s SER 122 CO 0.14 -0.09 1.67 1.56 1.20 0.00 0.00 173.24 177.72 2ky4 h GLN 123 N 6.14 0.22 -0.88 5.44 4.20 -1.91 -0.49 115.11 127.83 2ky4 h GLN 123 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2ky4 h GLN 123 Cb 1.21 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 2ky4 h GLN 123 CO 0.73 0.14 0.56 1.49 -0.67 0.00 0.00 178.83 181.09 2ky4 h GLU 124 N 0.22 1.17 0.12 1.46 4.81 -1.94 -2.94 114.58 117.49 2ky4 h GLU 124 Ca 0.75 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 2ky4 h GLU 124 Cb 2.04 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 31.16 2ky4 h GLU 124 CO -0.47 0.79 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.62 2ky4 h TYR 125 N 1.20 -0.15 0.00 0.92 3.20 -1.37 -3.14 116.97 117.63 2ky4 h TYR 125 Ca 0.32 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 2ky4 h TYR 125 Cb -0.11 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2ky4 h TYR 125 CO -0.01 0.33 -0.37 -2.95 -1.64 0.00 0.00 178.16 173.52 2ky4 h ASN 126 N -0.85 0.00 -0.02 -2.11 -1.07 -1.52 -0.43 115.58 109.58 2ky4 h ASN 126 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.28 2ky4 h ASN 126 Cb 0.55 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 2ky4 h ASN 126 CO 0.03 0.37 -0.25 -0.33 0.07 0.00 0.00 177.43 177.31 2ky4 h GLU 127 N 0.00 0.21 0.00 4.14 5.08 -1.66 -3.01 114.58 119.34 2ky4 h GLU 127 Ca -0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2ky4 h GLU 127 Cb 0.77 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2ky4 h GLU 127 CO 0.05 0.88 -0.22 0.28 -1.00 0.00 0.00 179.01 179.01 2ky4 h VAL 128 N -0.39 1.34 0.04 3.13 2.07 -1.48 -3.41 116.25 117.55 2ky4 h VAL 128 Ca -0.02 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 2ky4 h VAL 128 Cb 0.95 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2ky4 h VAL 128 CO 0.05 0.45 -0.02 0.15 0.02 0.00 0.00 177.57 178.23 2ky4 h PHE 129 N -1.00 -0.05 0.00 1.57 3.57 -1.29 -3.51 116.94 116.23 2ky4 h PHE 129 Ca -0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2ky4 h PHE 129 Cb 0.89 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2ky4 h PHE 129 CO 0.19 -0.03 0.00 0.41 -2.23 0.00 0.00 178.31 176.66 2ky4 n GLY 130 N 1.49 0.21 0.01 2.40 0.00 -1.14 -4.68 105.19 103.49 2ky4 n GLY 130 Ca -0.01 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.15 2ky4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ky4 n GLU 131 N 0.00 1.28 -0.07 1.61 -0.58 -1.26 -4.67 120.64 116.95 2ky4 n GLU 131 Ca 0.00 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 2ky4 n GLU 131 Cb 0.00 -1.13 -0.15 0.00 -0.57 0.00 0.00 31.44 29.59 2ky4 n GLU 131 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ky4 n ASP 132 N -1.88 0.80 -4.99 1.62 9.92 -1.26 -1.15 116.55 119.62 2ky4 n ASP 132 Ca -0.04 0.14 -0.19 0.00 -0.53 0.00 0.00 54.79 54.17 2ky4 n ASP 132 Cb 0.34 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2ky4 n ASP 132 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2ky4 s THR 133 N -2.54 3.85 0.22 -3.53 -1.32 -1.26 -1.23 115.64 109.83 2ky4 s THR 133 Ca -0.13 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.20 2ky4 s THR 133 Cb 0.07 -3.35 -0.08 0.00 -1.51 0.00 0.00 72.50 67.63 2ky4 s THR 133 CO 0.79 -0.15 0.80 -0.69 -2.21 0.00 0.00 174.62 173.16 2ky4 s VAL 134 N -2.28 4.38 -1.01 5.08 1.01 -0.99 -4.62 120.40 121.97 2ky4 s VAL 134 Ca 0.47 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.82 2ky4 s VAL 134 Cb -0.10 -4.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 2ky4 s VAL 134 CO 0.33 0.35 2.17 -2.16 0.00 0.00 0.00 175.10 175.78 2ky4 s PRO 135 N -1.59 1.50 0.24 2.72 0.04 -1.26 -4.92 135.00 131.73 2ky4 s PRO 135 Ca 0.41 -0.25 -0.30 0.00 0.04 0.00 0.00 61.00 60.90 2ky4 s PRO 135 Cb -0.20 -4.96 -0.09 0.00 0.04 0.00 0.00 34.50 29.28 2ky4 s PRO 135 CO 0.24 -4.95 1.32 1.52 0.04 0.00 0.00 177.00 175.17 2ky4 s TYR 136 N 15.44 3.19 -0.11 0.56 1.13 -1.26 -4.91 117.35 131.38 2ky4 s TYR 136 Ca 0.82 1.26 -0.29 0.00 -1.41 0.00 0.00 57.07 57.45 2ky4 s TYR 136 Cb -0.07 -3.64 -0.03 0.00 -1.10 0.00 0.00 41.96 37.12 2ky4 s TYR 136 CO 0.14 -1.94 1.43 0.50 -2.51 0.00 0.00 175.55 173.17 2ky4 s ARG 137 N -0.60 4.21 0.55 -3.49 3.52 -1.26 -4.90 118.95 116.98 2ky4 s ARG 137 Ca 0.55 1.89 0.29 0.00 -0.13 0.00 0.00 55.73 58.33 2ky4 s ARG 137 Cb -0.38 -3.85 1.46 0.00 -1.56 0.00 0.00 34.95 30.62 2ky4 s ARG 137 CO 0.42 -0.76 1.93 -0.09 -0.81 0.00 0.00 175.30 175.99 2ky4 h ARG 138 N 8.75 0.00 -6.72 5.12 9.65 -1.98 -3.36 114.38 125.83 2ky4 h ARG 138 Ca -0.32 0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 57.86 2ky4 h ARG 138 Cb 1.14 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 29.45 2ky4 h ARG 138 CO 0.96 0.00 -0.88 -0.59 2.80 0.00 0.00 179.97 182.26 2ky4 s PHE 139 N -4.90 2.33 0.00 2.20 -0.71 -1.26 -5.05 117.98 110.58 2ky4 s PHE 139 Ca -0.05 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 2ky4 s PHE 139 Cb 0.19 -1.41 0.00 0.00 -1.21 0.00 0.00 43.02 40.60 2ky4 s PHE 139 CO 0.71 0.11 1.77 -0.35 -1.34 0.00 0.00 175.22 176.11 2ky4 n PRO 140 N 1.85 0.97 -1.01 1.99 -0.04 -1.26 -4.71 135.00 132.80 2ky4 n PRO 140 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2ky4 n PRO 140 Cb 0.52 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2ky4 n PRO 140 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ky4 n THR 141 N 1.33 0.00 -2.05 0.52 -1.04 -1.26 -2.27 114.28 109.51 2ky4 n THR 141 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2ky4 n THR 141 Cb 0.49 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 2ky4 n THR 141 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ky4 n LEU 142 N -0.03 -1.45 0.00 -4.42 4.32 -1.26 -4.94 117.00 109.22 2ky4 n LEU 142 Ca -0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2ky4 n LEU 142 Cb 0.42 -2.52 0.00 0.00 -1.62 0.00 0.00 43.42 39.70 2ky4 n LEU 142 CO 0.00 -0.46 0.00 1.21 -1.22 0.00 0.00 177.39 176.92 2ky4 n GLU 143 N -2.61 0.00 -4.01 3.23 4.07 -0.96 -5.07 120.64 115.29 2ky4 n GLU 143 Ca -0.19 0.17 -0.10 0.00 -0.06 0.00 0.00 57.16 56.98 2ky4 n GLU 143 Cb 0.62 -0.63 -0.08 0.00 -0.06 0.00 0.00 31.44 31.29 2ky4 n GLU 143 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2ky4 s HIS 144 N -0.39 0.52 -1.07 4.31 3.76 -1.26 -5.00 115.29 116.16 2ky4 s HIS 144 Ca 0.00 -0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 53.98 2ky4 s HIS 144 Cb 0.00 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.48 2ky4 s HIS 144 CO 0.00 -0.68 0.93 1.58 -0.85 0.00 0.00 174.74 175.72 2ky4 n HIS 145 N -0.20 -2.38 -1.95 1.40 -0.00 -1.26 -4.85 115.22 105.98 2ky4 n HIS 145 Ca -0.06 0.87 -0.41 0.00 -0.00 0.00 0.00 57.72 58.11 2ky4 n HIS 145 Cb 0.63 -4.33 -0.03 0.00 -0.00 0.00 0.00 29.99 26.26 2ky4 n HIS 145 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ky4 s HIS 146 N -3.38 1.69 -1.03 1.57 -3.43 -1.26 -4.78 115.29 104.67 2ky4 s HIS 146 Ca 0.35 0.72 -0.23 0.00 -0.80 0.00 0.00 55.06 55.10 2ky4 s HIS 146 Cb -0.05 -4.07 -0.05 0.00 -1.43 0.00 0.00 32.58 26.99 2ky4 s HIS 146 CO 0.73 -2.85 1.90 -3.38 -2.00 0.00 0.00 174.74 169.14 2ky4 s HIS 147 N 7.82 1.96 -0.87 0.38 -3.43 -1.26 -4.91 115.29 114.97 2ky4 s HIS 147 Ca 0.80 0.36 -0.25 0.00 -0.80 0.00 0.00 55.06 55.17 2ky4 s HIS 147 Cb -0.21 -4.11 0.03 0.00 -1.43 0.00 0.00 32.58 26.87 2ky4 s HIS 147 CO 0.30 -1.57 1.44 -1.58 -2.00 0.00 0.00 174.74 171.33 2ky4 s HIS 148 N 9.77 2.32 0.00 0.38 5.04 -1.26 -5.13 115.29 126.41 2ky4 s HIS 148 Ca 0.67 -0.31 0.00 0.00 -1.54 0.00 0.00 55.06 53.88 2ky4 s HIS 148 Cb -0.04 -4.59 0.00 0.00 0.04 0.00 0.00 32.58 28.00 2ky4 s HIS 148 CO 0.04 -2.01 0.00 1.58 -2.34 0.00 0.00 174.74 172.01