#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 s LYS 2 N 0.00 1.31 0.57 0.03 2.47 -1.26 -2.71 119.74 120.14 3cf5 s LYS 2 Ca 0.00 -1.01 -0.12 0.00 -1.56 0.00 0.00 55.97 53.28 3cf5 s LYS 2 Cb 0.00 -2.48 -0.05 0.00 -1.46 0.00 0.00 37.83 33.84 3cf5 s LYS 2 CO 0.00 -0.70 0.99 0.42 0.16 0.00 0.00 175.35 176.21 3cf5 s ILE 3 N 1.45 4.67 -0.30 5.43 -1.09 -0.77 0.64 121.20 131.23 3cf5 s ILE 3 Ca -0.01 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.19 3cf5 s ILE 3 Cb -0.18 -3.81 0.18 0.00 -1.58 0.00 0.00 42.46 37.06 3cf5 s ILE 3 CO -0.10 -0.95 1.10 -1.59 -1.23 0.00 0.00 174.94 172.18 3cf5 s LYS 4 N -4.72 0.16 -0.17 2.79 -2.85 -1.23 -2.24 119.74 111.48 3cf5 s LYS 4 Ca 0.56 0.30 -0.29 0.00 -1.00 0.00 0.00 55.97 55.54 3cf5 s LYS 4 Cb -0.11 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.82 3cf5 s LYS 4 CO 0.45 -0.14 1.37 -1.17 0.10 0.00 0.00 175.35 175.96 3cf5 s LEU 5 N 2.78 4.13 0.00 2.77 2.96 -0.63 0.29 118.68 130.99 3cf5 s LEU 5 Ca -0.03 1.70 0.06 0.00 -0.22 0.00 0.00 54.13 55.65 3cf5 s LEU 5 Cb -0.08 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.10 3cf5 s LEU 5 CO -0.12 -0.88 0.61 1.33 -1.32 0.00 0.00 176.35 175.96 3cf5 n VAL 6 N 5.61 0.00 -4.20 1.68 0.24 0.22 -1.19 118.33 120.69 3cf5 n VAL 6 Ca 0.15 -0.48 -0.21 0.00 -2.04 0.00 0.00 64.34 61.76 3cf5 n VAL 6 Cb 0.45 1.10 -0.16 0.00 -1.47 0.00 0.00 33.84 33.75 3cf5 n VAL 6 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3cf5 s ARG 7 N -0.64 0.98 0.91 7.34 1.81 -0.76 -5.01 118.95 123.57 3cf5 s ARG 7 Ca 0.06 -0.15 -0.17 0.00 -1.72 0.00 0.00 55.73 53.75 3cf5 s ARG 7 Cb 0.05 -0.96 -0.13 0.00 -0.45 0.00 0.00 34.95 33.45 3cf5 s ARG 7 CO 0.09 -0.08 -0.57 0.45 -0.68 0.00 0.00 175.30 174.51 3cf5 n SER 8 N 4.09 -5.24 -0.00 0.23 2.88 -1.26 -4.91 113.62 109.42 3cf5 n SER 8 Ca -0.23 0.28 0.07 0.00 -1.33 0.00 0.00 58.87 57.66 3cf5 n SER 8 Cb 0.51 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 3cf5 n SER 8 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3cf5 n VAL 9 N -2.41 0.00 -1.90 2.46 0.31 -1.26 -4.83 118.33 110.69 3cf5 n VAL 9 Ca 0.01 -0.28 -0.39 0.00 -0.01 0.00 0.00 64.34 63.67 3cf5 n VAL 9 Cb 0.54 0.44 0.02 0.00 -0.91 0.00 0.00 33.84 33.93 3cf5 n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3cf5 s ILE 10 N -2.81 2.31 0.00 2.52 1.01 -1.26 -1.16 121.20 121.81 3cf5 s ILE 10 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3cf5 s ILE 10 Cb 0.10 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3cf5 s ILE 10 CO 0.61 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3cf5 n GLY 11 N 0.64 1.70 3.91 6.18 0.00 -1.26 -4.98 105.19 111.37 3cf5 n GLY 11 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3cf5 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf5 s ARG 12 N -0.07 3.62 0.59 1.61 1.81 -0.31 -5.07 118.95 121.12 3cf5 s ARG 12 Ca 0.00 0.06 -0.20 0.00 -1.72 0.00 0.00 55.73 53.87 3cf5 s ARG 12 Cb 0.00 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 3cf5 s ARG 12 CO 0.00 0.09 1.26 -2.30 -0.68 0.00 0.00 175.30 173.67 3cf5 n PRO 13 N -1.37 1.33 -0.31 3.54 -0.02 -1.26 -4.80 135.00 132.11 3cf5 n PRO 13 Ca -0.01 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 61.92 3cf5 n PRO 13 Cb 0.54 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3cf5 n PRO 13 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cf5 h GLY 14 N 0.93 -0.21 0.00 -1.23 0.00 -1.97 -1.24 103.07 99.35 3cf5 h GLY 14 Ca -0.50 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3cf5 h GLY 14 CO 0.54 -0.16 0.00 0.70 0.00 0.00 0.00 176.54 177.62 3cf5 n ASN 15 N -5.42 0.00 -0.26 0.19 3.02 -1.26 -2.38 115.26 109.15 3cf5 n ASN 15 Ca 0.06 0.61 0.23 0.00 -0.03 0.00 0.00 54.58 55.45 3cf5 n ASN 15 Cb 0.36 -0.11 0.43 0.00 -0.61 0.00 0.00 39.78 39.85 3cf5 n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 n GLN 16 N -1.19 -0.05 -0.04 3.52 6.02 -1.03 0.19 117.38 124.80 3cf5 n GLN 16 Ca 0.00 1.12 -0.09 0.00 -0.01 0.00 0.00 57.00 58.02 3cf5 n GLN 16 Cb 0.00 -1.96 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 3cf5 n GLN 16 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3cf5 h VAL 17 N 0.00 0.36 0.47 5.09 2.07 -0.86 0.06 116.25 123.43 3cf5 h VAL 17 Ca 0.64 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.15 3cf5 h VAL 17 Cb 1.65 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3cf5 h VAL 17 CO -0.64 0.00 -0.42 0.11 0.02 0.00 0.00 177.57 176.64 3cf5 h LYS 18 N -0.29 -0.85 -0.98 1.57 1.79 0.24 0.11 116.57 118.16 3cf5 h LYS 18 Ca 0.13 0.06 0.33 0.00 -2.18 0.00 0.00 60.65 58.98 3cf5 h LYS 18 Cb 0.49 0.19 -0.16 0.00 -1.58 0.00 0.00 32.23 31.17 3cf5 h LYS 18 CO -0.38 -0.56 0.46 1.15 -1.08 0.00 0.00 179.45 179.03 3cf5 h THR 19 N -0.88 0.20 -0.50 -0.16 2.02 -1.24 2.59 112.91 114.94 3cf5 h THR 19 Ca -0.06 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 3cf5 h THR 19 Cb 0.75 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3cf5 h THR 19 CO -0.03 0.04 -0.19 0.58 0.37 0.00 0.00 175.52 176.29 3cf5 h VAL 20 N 0.20 1.27 0.16 3.16 2.07 -0.27 0.22 116.25 123.05 3cf5 h VAL 20 Ca 0.72 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3cf5 h VAL 20 Cb 1.68 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3cf5 h VAL 20 CO -0.68 0.47 -0.08 -0.61 0.02 0.00 0.00 177.57 176.69 3cf5 h GLN 21 N 0.88 -0.21 -0.99 1.57 4.15 0.59 -0.75 115.11 120.35 3cf5 h GLN 21 Ca 0.12 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.67 3cf5 h GLN 21 Cb 0.77 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.38 3cf5 h GLN 21 CO 0.06 -0.14 -0.50 0.00 -1.93 0.00 0.00 178.83 176.32 3cf5 n ALA 22 N -2.14 -0.43 0.00 3.38 0.00 0.71 0.32 120.51 122.35 3cf5 n ALA 22 Ca -0.03 0.90 0.00 0.00 0.00 0.00 0.00 53.44 54.31 3cf5 n ALA 22 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3cf5 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 23 N -5.33 0.00 -0.41 0.00 4.77 0.75 -4.71 117.00 112.08 3cf5 n LEU 23 Ca 0.05 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3cf5 n LEU 23 Cb 0.31 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3cf5 n LEU 23 CO -0.15 -0.08 -0.05 0.61 -1.33 0.00 0.00 177.39 176.39 3cf5 n GLY 24 N -0.94 0.53 3.74 -0.72 0.00 0.95 -5.03 105.19 103.72 3cf5 n GLY 24 Ca 0.00 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 3cf5 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cf5 s LEU 25 N -1.13 4.29 -0.17 0.99 1.43 -0.29 -4.98 118.68 118.81 3cf5 s LEU 25 Ca 0.00 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 3cf5 s LEU 25 Cb 0.00 -2.51 -0.11 0.00 0.03 0.00 0.00 46.19 43.60 3cf5 s LEU 25 CO 0.00 0.10 -0.16 0.54 0.23 0.00 0.00 176.35 177.07 3cf5 n ARG 26 N 3.32 0.43 -3.78 1.70 5.12 -1.26 -4.44 116.66 117.75 3cf5 n ARG 26 Ca -0.11 0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 3cf5 n ARG 26 Cb 0.52 -1.34 -0.14 0.00 -1.16 0.00 0.00 32.46 30.34 3cf5 n ARG 26 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3cf5 s LYS 27 N -2.35 0.11 0.83 5.56 1.02 -1.26 -5.09 119.74 118.56 3cf5 s LYS 27 Ca -0.23 0.28 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 3cf5 s LYS 27 Cb 0.06 -0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.23 3cf5 s LYS 27 CO 0.40 -0.10 0.09 0.44 -0.92 0.00 0.00 175.35 175.25 3cf5 n ILE 28 N 3.71 0.62 0.00 2.17 -5.35 -1.26 -0.72 119.36 118.53 3cf5 n ILE 28 Ca -0.21 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3cf5 n ILE 28 Cb 0.55 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 3cf5 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cf5 n GLY 29 N 2.16 3.16 3.82 3.28 0.00 -0.33 -4.99 105.19 112.29 3cf5 n GLY 29 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3cf5 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf5 s ASP 30 N -0.09 6.98 0.32 1.61 1.01 0.10 -4.87 116.67 121.73 3cf5 s ASP 30 Ca 0.00 1.71 0.04 0.00 0.71 0.00 0.00 52.55 55.01 3cf5 s ASP 30 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3cf5 s ASP 30 CO 0.00 -0.33 0.17 -0.94 0.21 0.00 0.00 175.17 174.28 3cf5 s SER 31 N -2.11 1.75 -0.30 0.27 1.04 -1.26 -1.60 113.70 111.49 3cf5 s SER 31 Ca 0.61 -1.60 -0.25 0.00 0.48 0.00 0.00 55.95 55.18 3cf5 s SER 31 Cb -0.10 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.64 3cf5 s SER 31 CO 0.14 -0.92 1.45 0.00 0.98 0.00 0.00 173.24 174.90 3cf5 s ARG 32 N -3.75 0.04 0.37 4.02 1.70 -0.95 -4.93 118.95 115.45 3cf5 s ARG 32 Ca 0.35 0.05 -0.24 0.00 -0.47 0.00 0.00 55.73 55.41 3cf5 s ARG 32 Cb 0.04 0.02 -0.10 0.00 -0.57 0.00 0.00 34.95 34.34 3cf5 s ARG 32 CO 0.19 -0.01 0.96 -2.00 -1.08 0.00 0.00 175.30 173.35 3cf5 s GLU 33 N -0.08 4.42 0.09 3.89 2.56 -1.26 -1.85 118.70 126.48 3cf5 s GLU 33 Ca 0.08 1.27 0.05 0.00 0.00 0.00 0.00 54.97 56.37 3cf5 s GLU 33 Cb -0.05 -2.56 -0.03 0.00 2.00 0.00 0.00 34.13 33.49 3cf5 s GLU 33 CO -0.15 0.13 -0.14 0.54 -0.56 0.00 0.00 175.26 175.08 3cf5 s VAL 34 N -1.82 1.21 -0.15 3.70 0.11 -1.10 -4.93 120.40 117.43 3cf5 s VAL 34 Ca 0.55 -1.49 -0.29 0.00 -2.93 0.00 0.00 61.98 57.82 3cf5 s VAL 34 Cb -0.15 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 3cf5 s VAL 34 CO 0.20 -0.31 1.33 -0.55 -3.33 0.00 0.00 175.10 172.44 3cf5 s SER 35 N -2.06 6.89 -1.05 3.54 0.15 -1.26 -4.32 113.70 115.59 3cf5 s SER 35 Ca 0.03 1.76 -0.23 0.00 0.70 0.00 0.00 55.95 58.22 3cf5 s SER 35 Cb -0.08 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3cf5 s SER 35 CO 0.02 -0.80 1.67 -0.62 1.20 0.00 0.00 173.24 174.71 3cf5 s ASP 36 N 2.24 6.07 -0.12 5.45 -1.08 -1.26 -4.61 116.67 123.35 3cf5 s ASP 36 Ca 0.58 -1.42 -0.09 0.00 -0.52 0.00 0.00 52.55 51.10 3cf5 s ASP 36 Cb -0.23 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.70 3cf5 s ASP 36 CO 0.17 -1.92 0.31 0.42 0.52 0.00 0.00 175.17 174.68 3cf5 s THR 37 N 6.73 -0.02 0.04 1.71 -4.23 -1.26 -5.02 115.64 113.59 3cf5 s THR 37 Ca 0.56 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 3cf5 s THR 37 Cb -0.01 -0.46 0.05 0.00 1.34 0.00 0.00 72.50 73.42 3cf5 s THR 37 CO -0.03 0.03 0.25 -0.81 -0.54 0.00 0.00 174.62 173.52 3cf5 n PRO 38 N 3.57 -0.03 -0.13 3.99 -0.04 -1.26 0.16 135.00 141.27 3cf5 n PRO 38 Ca -0.19 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 3cf5 n PRO 38 Cb 0.56 -0.37 0.03 0.00 -0.04 0.00 0.00 33.50 33.68 3cf5 n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cf5 h ALA 39 N 0.26 0.74 -0.00 0.55 0.00 -1.98 -1.53 119.26 117.30 3cf5 h ALA 39 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3cf5 h ALA 39 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cf5 h ALA 39 CO -0.16 0.66 -0.12 0.28 0.00 0.00 0.00 179.25 179.92 3cf5 n VAL 40 N -4.10 0.00 0.08 0.00 0.31 0.41 -1.73 118.33 113.30 3cf5 n VAL 40 Ca -0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 3cf5 n VAL 40 Cb 0.47 -0.20 -0.14 0.00 -0.91 0.00 0.00 33.84 33.05 3cf5 n VAL 40 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3cf5 h ARG 41 N 0.29 0.31 -0.18 5.55 3.08 -0.33 -3.27 114.38 119.84 3cf5 h ARG 41 Ca 0.00 -0.54 -0.15 0.00 0.07 0.00 0.00 59.98 59.36 3cf5 h ARG 41 Cb 0.39 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3cf5 h ARG 41 CO 0.00 1.20 -0.53 0.78 -1.07 0.00 0.00 179.97 180.36 3cf5 h GLY 42 N 1.30 0.56 0.01 0.04 0.00 -1.09 -1.99 103.07 101.90 3cf5 h GLY 42 Ca -0.25 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3cf5 h GLY 42 CO 0.18 0.57 -0.08 -0.33 0.00 0.00 0.00 176.54 176.88 3cf5 h MET 43 N 0.40 -0.10 0.23 4.80 2.86 -1.40 -0.62 114.93 121.09 3cf5 h MET 43 Ca 0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3cf5 h MET 43 Cb 1.05 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 3cf5 h MET 43 CO 0.10 -0.07 -0.49 0.28 1.06 0.00 0.00 176.91 177.79 3cf5 h VAL 44 N -0.11 0.06 -0.89 -2.22 2.07 -1.60 -2.22 116.25 111.34 3cf5 h VAL 44 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 3cf5 h VAL 44 Cb 0.11 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 3cf5 h VAL 44 CO -0.05 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.90 3cf5 h LYS 45 N -0.79 0.20 -0.47 1.57 6.56 -1.34 0.38 116.57 122.68 3cf5 h LYS 45 Ca -0.01 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 3cf5 h LYS 45 Cb 0.77 -0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 32.30 3cf5 h LYS 45 CO -0.21 0.13 -0.06 1.15 -2.06 0.00 0.00 179.45 178.40 3cf5 h THR 46 N 0.21 0.57 -0.90 -0.16 2.02 -0.46 -1.51 112.91 112.68 3cf5 h THR 46 Ca 0.56 -0.02 -0.61 0.00 0.77 0.00 0.00 66.41 67.12 3cf5 h THR 46 Cb 1.14 0.52 -0.37 0.00 -1.74 0.00 0.00 68.15 67.70 3cf5 h THR 46 CO -0.66 0.01 -0.10 1.33 0.37 0.00 0.00 175.52 176.47 3cf5 n VAL 47 N -5.29 2.99 -0.14 3.16 0.24 0.20 -4.75 118.33 114.74 3cf5 n VAL 47 Ca 0.04 -3.74 -0.09 0.00 -2.04 0.00 0.00 64.34 58.52 3cf5 n VAL 47 Cb 0.26 -1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 31.44 3cf5 n VAL 47 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3cf5 h LYS 48 N 2.14 -0.27 -0.02 7.34 3.64 0.73 0.40 116.57 130.53 3cf5 h LYS 48 Ca 0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3cf5 h LYS 48 Cb 1.19 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3cf5 h LYS 48 CO 1.11 -0.18 0.00 -2.39 -2.27 0.00 0.00 179.45 175.72 3cf5 n HIS 49 N -5.42 0.00 0.00 1.91 1.44 -1.26 -1.95 115.22 109.94 3cf5 n HIS 49 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3cf5 n HIS 49 Cb 0.35 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 3cf5 n HIS 49 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3cf5 n LEU 50 N -0.29 0.00 -4.81 2.39 4.77 0.12 -4.84 117.00 114.33 3cf5 n LEU 50 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3cf5 n LEU 50 Cb 0.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3cf5 n LEU 50 CO 0.00 0.00 -0.23 -0.76 -1.33 0.00 0.00 177.39 175.07 3cf5 s LEU 51 N -2.64 3.96 -0.84 2.23 1.43 -0.82 -0.61 118.68 121.39 3cf5 s LEU 51 Ca 0.00 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 3cf5 s LEU 51 Cb 0.00 -2.53 0.17 0.00 0.03 0.00 0.00 46.19 43.86 3cf5 s LEU 51 CO 0.00 0.20 0.90 -0.70 0.23 0.00 0.00 176.35 176.98 3cf5 s GLU 52 N -2.23 3.53 -0.44 1.70 2.12 0.14 -4.86 118.70 118.66 3cf5 s GLU 52 Ca 0.29 -2.03 -0.28 0.00 0.36 0.00 0.00 54.97 53.30 3cf5 s GLU 52 Cb -0.12 -4.60 0.01 0.00 0.26 0.00 0.00 34.13 29.67 3cf5 s GLU 52 CO 0.21 -1.52 1.47 0.08 -0.54 0.00 0.00 175.26 174.96 3cf5 s VAL 53 N 1.50 3.82 0.00 3.70 1.01 -1.26 -3.46 120.40 125.70 3cf5 s VAL 53 Ca 0.23 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3cf5 s VAL 53 Cb -0.10 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3cf5 s VAL 53 CO -0.07 -0.81 0.00 1.67 0.00 0.00 0.00 175.10 175.89 3cf5 n GLN 54 N 8.26 0.00 0.00 2.72 7.27 0.21 -4.90 117.38 130.94 3cf5 n GLN 54 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 3cf5 n GLN 54 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 3cf5 n GLN 54 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52