#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p s THR 2 N 0.00 2.51 0.53 0.00 2.01 -1.26 -5.14 115.64 114.29 1u6p s THR 2 Ca 0.00 -1.90 -0.06 0.00 0.31 0.00 0.00 61.69 60.04 1u6p s THR 2 Cb 0.00 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1u6p s THR 2 CO 0.00 -0.07 0.85 0.54 -0.69 0.00 0.00 174.62 175.25 1u6p s VAL 3 N -1.55 4.61 0.11 3.82 0.11 -1.26 -5.09 120.40 121.15 1u6p s VAL 3 Ca 0.20 0.27 0.09 0.00 -2.93 0.00 0.00 61.98 59.61 1u6p s VAL 3 Cb -0.09 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1u6p s VAL 3 CO 0.10 -0.81 -0.21 0.54 -3.33 0.00 0.00 175.10 171.38 1u6p s VAL 4 N -2.87 2.62 0.21 2.04 0.11 -1.26 -5.14 120.40 116.11 1u6p s VAL 4 Ca 0.50 -1.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1u6p s VAL 4 Cb -0.10 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1u6p s VAL 4 CO 0.46 0.13 0.07 -0.55 -3.33 0.00 0.00 175.10 171.89 1u6p s SER 5 N -2.00 0.95 0.00 3.54 0.15 -1.26 -5.17 113.70 109.90 1u6p s SER 5 Ca 0.16 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1u6p s SER 5 Cb -0.10 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1u6p s SER 5 CO 0.08 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1u6p n GLY 6 N -0.33 0.68 3.62 9.45 0.00 -1.26 -5.13 105.19 112.21 1u6p n GLY 6 Ca -0.02 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1u6p n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u6p s GLN 7 N 0.81 0.40 0.16 1.61 -2.07 -1.26 -5.18 119.66 114.12 1u6p s GLN 7 Ca 0.00 0.26 0.02 0.00 -1.82 0.00 0.00 55.36 53.82 1u6p s GLN 7 Cb 0.00 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 1u6p s GLN 7 CO 0.00 -0.09 -0.02 0.15 -1.32 0.00 0.00 175.29 174.01 1u6p s LYS 8 N -0.48 1.06 0.13 9.60 3.01 -1.26 -5.17 119.74 126.63 1u6p s LYS 8 Ca 0.03 -1.49 -0.19 0.00 -1.01 0.00 0.00 55.97 53.31 1u6p s LYS 8 Cb -0.03 -0.29 0.05 0.00 -1.01 0.00 0.00 37.83 36.55 1u6p s LYS 8 CO -0.05 -0.10 0.48 -0.65 0.51 0.00 0.00 175.35 175.54 1u6p s GLN 9 N -3.89 1.13 0.26 1.68 -0.21 -1.26 -5.18 119.66 112.19 1u6p s GLN 9 Ca 0.21 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 55.02 1u6p s GLN 9 Cb 0.06 0.51 -0.00 0.00 1.00 0.00 0.00 33.01 34.57 1u6p s GLN 9 CO 0.02 -0.46 0.03 -3.47 -2.12 0.00 0.00 175.29 169.30 1u6p n ASP 10 N -0.20 2.17 -3.37 5.90 -0.08 -1.26 -5.15 116.55 114.56 1u6p n ASP 10 Ca -0.17 -2.21 -0.04 0.00 -1.51 0.00 0.00 54.79 50.86 1u6p n ASP 10 Cb 0.64 0.33 -0.06 0.00 2.34 0.00 0.00 41.12 44.37 1u6p n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6p s ARG 11 N -2.95 0.43 0.00 -0.67 1.70 -1.26 -5.14 118.95 111.06 1u6p s ARG 11 Ca 0.04 0.85 0.00 0.00 -0.47 0.00 0.00 55.73 56.15 1u6p s ARG 11 Cb 0.00 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1u6p s ARG 11 CO 0.03 -0.53 0.00 0.94 -1.08 0.00 0.00 175.30 174.66 1u6p n GLN 12 N 5.40 -0.01 -3.72 3.89 7.27 -1.26 -5.16 117.38 123.78 1u6p n GLN 12 Ca -0.04 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.90 1u6p n GLN 12 Cb 0.50 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.05 1u6p n GLN 12 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1u6p s GLY 13 N 0.00 -0.32 0.00 1.69 0.00 -1.26 -5.15 107.32 102.28 1u6p s GLY 13 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1u6p s GLY 13 CO 0.00 1.15 0.00 0.61 0.00 0.00 0.00 173.10 174.86 1u6p n GLY 14 N 3.12 1.37 1.45 0.20 0.00 -1.26 -5.17 105.19 104.91 1u6p n GLY 14 Ca -0.15 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1u6p n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u6p n GLU 15 N 0.00 -3.62 -3.62 1.61 4.71 -1.26 -5.06 120.64 113.40 1u6p n GLU 15 Ca 0.00 2.88 -0.08 0.00 -0.01 0.00 0.00 57.16 59.95 1u6p n GLU 15 Cb 0.00 -3.81 -0.06 0.00 -1.01 0.00 0.00 31.44 26.56 1u6p n GLU 15 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1u6p s ARG 16 N -4.86 0.42 -0.21 3.49 1.70 -1.26 -5.17 118.95 113.06 1u6p s ARG 16 Ca 0.00 0.29 -0.10 0.00 -0.47 0.00 0.00 55.73 55.45 1u6p s ARG 16 Cb 0.00 0.20 0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1u6p s ARG 16 CO 0.00 -0.09 0.50 -0.98 -1.08 0.00 0.00 175.30 173.64 1u6p s ARG 17 N -0.42 0.46 -1.36 3.89 3.03 -1.26 -5.06 118.95 118.22 1u6p s ARG 17 Ca 0.03 1.02 -0.10 0.00 2.03 0.00 0.00 55.73 58.71 1u6p s ARG 17 Cb -0.03 0.21 0.11 0.00 -1.03 0.00 0.00 34.95 34.20 1u6p s ARG 17 CO -0.05 -0.19 2.13 0.54 -1.13 0.00 0.00 175.30 176.60 1u6p n ARG 18 N 4.71 3.55 -0.21 3.89 1.74 -1.26 -4.86 116.66 124.23 1u6p n ARG 18 Ca -0.17 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.75 1u6p n ARG 18 Cb 0.54 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1u6p n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1u6p n SER 19 N 4.16 -0.16 -4.04 0.55 7.64 -1.26 0.90 113.62 121.42 1u6p n SER 19 Ca 0.49 -0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 1u6p n SER 19 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1u6p n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6p n GLN 20 N 0.81 -3.71 -1.39 1.43 0.00 -1.26 -4.70 117.38 108.55 1u6p n GLN 20 Ca 0.00 0.44 -0.54 0.00 0.00 0.00 0.00 57.00 56.89 1u6p n GLN 20 Cb 0.04 -4.94 -0.09 0.00 0.00 0.00 0.00 30.24 25.25 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1u6p n LEU 21 N -4.44 1.67 -4.81 2.61 0.00 0.26 -4.88 117.00 107.42 1u6p n LEU 21 Ca -0.11 0.53 -0.34 0.00 0.00 0.00 0.00 56.01 56.10 1u6p n LEU 21 Cb 0.59 -1.13 -0.04 0.00 0.00 0.00 0.00 43.42 42.83 1u6p n LEU 21 CO 0.79 -0.73 0.70 -1.81 0.00 0.00 0.00 177.39 176.34 1u6p s ASP 22 N 6.71 6.42 0.00 1.96 1.11 -1.26 -4.90 116.67 126.71 1u6p s ASP 22 Ca 1.13 1.84 0.15 0.00 0.18 0.00 0.00 52.55 55.84 1u6p s ASP 22 Cb -1.08 -2.55 0.78 0.00 1.07 0.00 0.00 42.92 41.13 1u6p s ASP 22 CO 0.55 -0.72 1.36 0.54 1.18 0.00 0.00 175.17 178.08 1u6p n ARG 23 N -1.06 0.29 -0.47 8.23 5.12 -1.26 -1.42 116.66 126.09 1u6p n ARG 23 Ca 0.09 0.10 0.06 0.00 -1.93 0.00 0.00 57.85 56.17 1u6p n ARG 23 Cb 0.53 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.43 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1u6p n ASP 24 N -1.20 1.45 -4.84 0.55 2.03 -1.26 -5.06 116.55 108.22 1u6p n ASP 24 Ca 0.08 -2.84 -0.26 0.00 0.52 0.00 0.00 54.79 52.29 1u6p n ASP 24 Cb 0.09 -0.38 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1u6p s GLN 25 N -1.85 2.28 -0.11 -0.67 1.11 -0.51 -1.48 119.66 118.43 1u6p s GLN 25 Ca 0.25 -1.94 -0.01 0.00 0.01 0.00 0.00 55.36 53.67 1u6p s GLN 25 Cb 0.24 -2.04 -0.03 0.00 -1.01 0.00 0.00 33.01 30.17 1u6p s GLN 25 CO -0.02 -0.39 -0.05 0.00 0.01 0.00 0.00 175.29 174.84 1u6p n ALA 27 N 2.80 4.95 0.10 0.00 0.00 -1.26 -2.06 120.51 125.05 1u6p n ALA 27 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1u6p n ALA 27 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1u6p n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1u6p n TYR 28 N -0.60 -1.57 0.20 0.00 4.19 -1.26 -4.88 117.16 113.24 1u6p n TYR 28 Ca 0.44 0.28 0.10 0.00 3.31 0.00 0.00 57.90 62.03 1u6p n TYR 28 Cb 1.20 0.42 -0.15 0.00 0.49 0.00 0.00 39.34 41.29 1u6p n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u6p n LYS 30 N -2.03 -0.07 -2.18 0.00 4.76 -0.88 -5.02 118.16 112.75 1u6p n LYS 30 Ca -0.02 0.24 -0.27 0.00 -2.87 0.00 0.00 58.31 55.39 1u6p n LYS 30 Cb 0.47 -3.78 0.15 0.00 -1.84 0.00 0.00 35.03 30.03 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1u6p s GLU 31 N -3.25 1.09 -0.08 1.97 2.02 -1.26 -4.64 118.70 114.55 1u6p s GLU 31 Ca 0.00 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1u6p s GLU 31 Cb 0.00 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1u6p s GLU 31 CO 0.00 -2.01 -0.13 -1.59 0.02 0.00 0.00 175.26 171.55 1u6p s LYS 32 N -5.59 1.82 0.00 1.61 -2.85 -1.26 0.18 119.74 113.65 1u6p s LYS 32 Ca 0.71 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 1u6p s LYS 32 Cb -0.05 -1.53 0.00 0.00 -2.06 0.00 0.00 37.83 34.19 1u6p s LYS 32 CO 0.49 -0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.35 1u6p n GLY 33 N 3.95 3.87 3.67 0.59 0.00 -0.55 -5.01 105.19 111.71 1u6p n GLY 33 Ca -0.21 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1u6p n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6p s HIS 34 N 0.00 2.62 0.40 1.61 -3.43 -1.26 -4.99 115.29 110.24 1u6p s HIS 34 Ca 0.00 -0.41 0.08 0.00 -0.80 0.00 0.00 55.06 53.93 1u6p s HIS 34 Cb 0.00 -1.54 0.00 0.00 -1.43 0.00 0.00 32.58 29.61 1u6p s HIS 34 CO 0.00 0.43 0.52 -1.58 -2.00 0.00 0.00 174.74 172.11 1u6p s TRP 35 N -2.48 2.85 0.24 0.38 0.52 -1.26 -3.50 118.94 115.70 1u6p s TRP 35 Ca 0.36 -0.38 -0.06 0.00 0.02 0.00 0.00 56.10 56.04 1u6p s TRP 35 Cb -0.01 -2.27 0.30 0.00 -1.15 0.00 0.00 33.47 30.34 1u6p s TRP 35 CO 0.21 -0.29 1.88 0.00 0.02 0.00 0.00 176.95 178.77 1u6p h ALA 36 N 0.76 1.21 0.00 0.98 0.00 -1.91 0.62 119.26 120.93 1u6p h ALA 36 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1u6p h ALA 36 Cb 1.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1u6p h ALA 36 CO 0.48 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.79 1u6p n LYS 37 N -4.53 0.48 -0.14 0.00 4.01 -1.26 -1.47 118.16 115.26 1u6p n LYS 37 Ca 0.12 0.04 0.04 0.00 -0.51 0.00 0.00 58.31 58.00 1u6p n LYS 37 Cb 0.11 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.19 1u6p n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1u6p n ASP 38 N -1.10 1.42 -4.73 4.39 9.92 0.18 -5.05 116.55 121.58 1u6p n ASP 38 Ca 0.12 -2.29 -0.42 0.00 -0.53 0.00 0.00 54.79 51.68 1u6p n ASP 38 Cb 0.09 -0.21 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u6p n PRO 40 N 3.18 0.75 0.04 0.00 -0.04 -1.26 -2.07 135.00 135.60 1u6p n PRO 40 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1u6p n PRO 40 Cb 0.42 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1u6p n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u6p n LYS 41 N -0.98 0.63 -1.75 0.54 5.02 -1.26 -4.90 118.16 115.47 1u6p n LYS 41 Ca 0.17 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 1u6p n LYS 41 Cb 0.08 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 1u6p n LYS 41 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u6p s LYS 42 N -3.42 4.15 -1.10 1.97 1.02 -0.88 -4.84 119.74 116.63 1u6p s LYS 42 Ca -0.04 2.53 -0.17 0.00 0.02 0.00 0.00 55.97 58.30 1u6p s LYS 42 Cb 0.12 -3.98 -0.07 0.00 -0.52 0.00 0.00 37.83 33.38 1u6p s LYS 42 CO 0.85 -0.90 2.10 -0.35 -0.92 0.00 0.00 175.35 176.13 1u6p n PRO 43 N 6.97 2.18 -2.55 -1.68 -0.04 -1.26 -4.93 135.00 133.69 1u6p n PRO 43 Ca 0.19 -2.17 -0.41 0.00 -0.04 0.00 0.00 63.50 61.07 1u6p n PRO 43 Cb 0.41 -3.05 -0.04 0.00 -0.04 0.00 0.00 33.50 30.77 1u6p n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1u6p s ARG 44 N 4.06 4.63 0.45 0.54 3.00 -1.26 -4.95 118.95 125.41 1u6p s ARG 44 Ca 0.53 1.68 -0.06 0.00 -1.00 0.00 0.00 55.73 56.88 1u6p s ARG 44 Cb 0.14 -3.28 0.09 0.00 0.00 0.00 0.00 34.95 31.91 1u6p s ARG 44 CO 0.02 0.13 0.21 0.41 0.00 0.00 0.00 175.30 176.07 1u6p n GLY 45 N 1.94 -2.26 3.68 8.12 0.00 -1.26 -4.69 105.19 110.73 1u6p n GLY 45 Ca 0.02 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1u6p n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 46 N -2.61 4.33 0.07 1.61 0.04 -1.26 -5.17 135.00 132.02 1u6p s PRO 46 Ca 0.16 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1u6p s PRO 46 Cb -0.03 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1u6p s PRO 46 CO 0.14 -0.48 -0.08 1.03 0.04 0.00 0.00 177.00 177.65 1u6p s ARG 47 N 2.37 0.69 -0.30 4.56 1.81 -1.26 -5.14 118.95 121.69 1u6p s ARG 47 Ca 0.56 -1.04 -0.08 0.00 -1.72 0.00 0.00 55.73 53.45 1u6p s ARG 47 Cb -0.25 -0.29 0.18 0.00 -0.45 0.00 0.00 34.95 34.14 1u6p s ARG 47 CO 0.21 0.03 0.90 0.20 -0.68 0.00 0.00 175.30 175.97 1u6p s GLY 48 N -2.28 -0.75 -1.15 -3.53 0.00 -1.26 -5.06 107.32 93.30 1u6p s GLY 48 Ca 0.01 2.19 -0.13 0.00 0.00 0.00 0.00 44.72 46.78 1u6p s GLY 48 CO -0.02 3.80 2.25 -1.55 0.00 0.00 0.00 173.10 177.58 1u6p n PRO 49 N 5.36 2.43 -1.83 2.90 -0.04 -1.26 -4.92 135.00 137.65 1u6p n PRO 49 Ca 0.00 -2.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.03 1u6p n PRO 49 Cb 0.54 -2.87 -0.03 0.00 -0.04 0.00 0.00 33.50 31.11 1u6p n PRO 49 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1u6p s ARG 50 N 3.58 4.00 0.35 0.54 1.81 -1.26 -4.95 118.95 123.01 1u6p s ARG 50 Ca 0.52 2.30 -0.26 0.00 -1.72 0.00 0.00 55.73 56.57 1u6p s ARG 50 Cb 0.14 -4.11 -0.09 0.00 -0.45 0.00 0.00 34.95 30.43 1u6p s ARG 50 CO -0.01 -1.09 1.07 -1.25 -0.68 0.00 0.00 175.30 173.34 1u6p s PRO 51 N 4.56 4.38 0.05 3.54 0.04 -1.26 -5.05 135.00 141.26 1u6p s PRO 51 Ca 0.83 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1u6p s PRO 51 Cb -0.36 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1u6p s PRO 51 CO 0.35 0.02 -0.12 -1.14 0.04 0.00 0.00 177.00 176.16 1u6p s GLN 52 N -2.02 2.22 -0.01 4.56 0.74 -1.26 -5.12 119.66 118.76 1u6p s GLN 52 Ca 0.52 -0.93 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 1u6p s GLN 52 Cb -0.26 -2.32 0.10 0.00 1.10 0.00 0.00 33.01 31.63 1u6p s GLN 52 CO 0.33 0.54 0.90 -0.08 -0.55 0.00 0.00 175.29 176.43 1u6p s THR 53 N -1.06 0.00 0.06 -0.34 -1.32 -1.26 -5.18 115.64 106.54 1u6p s THR 53 Ca 0.18 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.55 1u6p s THR 53 Cb -0.11 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.89 1u6p s THR 53 CO 0.09 0.00 0.24 -0.44 -2.21 0.00 0.00 174.62 172.30 1u6p s SER 54 N -2.41 -0.01 -0.22 8.08 0.01 -1.26 -5.17 113.70 112.71 1u6p s SER 54 Ca 0.05 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 1u6p s SER 54 Cb -0.01 0.33 0.16 0.00 0.21 0.00 0.00 66.02 66.71 1u6p s SER 54 CO -0.08 -0.63 1.19 -0.22 0.41 0.00 0.00 173.24 173.90 1u6p s LEU 55 N -2.31 -0.19 0.00 2.44 2.96 -1.26 -5.38 118.68 114.95 1u6p s LEU 55 Ca -0.02 0.20 0.30 0.00 -0.22 0.00 0.00 54.13 54.39 1u6p s LEU 55 Cb 0.01 1.46 1.46 0.00 0.50 0.00 0.00 46.19 49.61 1u6p s LEU 55 CO -0.06 -0.18 1.98 -0.11 -1.32 0.00 0.00 176.35 176.65