#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n ARG 9 N 0.00 -0.04 -0.13 2.89 1.74 -1.26 0.11 116.66 119.97 3cf5 n ARG 9 Ca 0.00 0.56 -0.03 0.00 -0.77 0.00 0.00 57.85 57.61 3cf5 n ARG 9 Cb 0.00 -0.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3cf5 n ARG 9 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cf5 n LYS 10 N -4.58 -0.14 -0.33 5.56 5.02 -1.26 0.24 118.16 122.67 3cf5 n LYS 10 Ca 0.06 0.48 0.20 0.00 -2.02 0.00 0.00 58.31 57.03 3cf5 n LYS 10 Cb 0.18 -0.71 0.38 0.00 -0.02 0.00 0.00 35.03 34.86 3cf5 n LYS 10 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3cf5 h LEU 11 N 0.00 -0.13 -0.10 -0.35 3.38 0.35 0.48 115.31 118.95 3cf5 h LEU 11 Ca 0.05 0.26 -0.24 0.00 0.09 0.00 0.00 57.88 58.03 3cf5 h LEU 11 Cb 0.13 0.37 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3cf5 h LEU 11 CO -0.30 -0.34 -0.98 0.08 0.09 0.00 0.00 178.44 176.99 3cf5 h ARG 12 N 0.05 0.56 -0.00 1.13 0.11 0.29 -2.06 114.38 114.46 3cf5 h ARG 12 Ca 0.67 -0.59 -0.13 0.00 0.10 0.00 0.00 59.98 60.03 3cf5 h ARG 12 Cb 1.52 0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.75 3cf5 h ARG 12 CO -0.82 1.21 -0.63 1.79 0.10 0.00 0.00 179.97 181.62 3cf5 h THR 13 N 0.32 1.45 0.43 0.08 1.35 -0.15 0.31 112.91 116.70 3cf5 h THR 13 Ca -0.10 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 63.60 3cf5 h THR 13 Cb 1.63 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 3cf5 h THR 13 CO 0.18 0.61 -0.21 0.03 -0.25 0.00 0.00 175.52 175.89 3cf5 h ARG 14 N 0.00 -0.56 -0.24 4.72 3.08 -0.22 0.22 114.38 121.38 3cf5 h ARG 14 Ca -0.01 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3cf5 h ARG 14 Cb 1.11 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 3cf5 h ARG 14 CO 0.08 -0.29 -0.33 0.00 -1.07 0.00 0.00 179.97 178.36 3cf5 h ARG 15 N -1.08 -0.33 0.12 0.04 2.47 -1.37 0.30 114.38 114.53 3cf5 h ARG 15 Ca -0.06 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3cf5 h ARG 15 Cb 0.52 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 3cf5 h ARG 15 CO 0.10 -0.22 -0.17 0.87 0.56 0.00 0.00 179.97 181.11 3cf5 h LYS 16 N -0.34 -0.33 -0.56 0.04 1.57 -0.42 -2.51 116.57 114.02 3cf5 h LYS 16 Ca 0.12 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3cf5 h LYS 16 Cb 0.55 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 3cf5 h LYS 16 CO -0.43 -0.22 0.30 -0.24 -0.57 0.00 0.00 179.45 178.29 3cf5 h VAL 17 N -0.34 0.98 -0.91 0.50 3.04 -0.10 -0.60 116.25 118.83 3cf5 h VAL 17 Ca 0.02 -0.20 0.13 0.00 -1.01 0.00 0.00 66.70 65.63 3cf5 h VAL 17 Cb 0.35 0.35 -0.07 0.00 -2.01 0.00 0.00 31.29 29.90 3cf5 h VAL 17 CO -0.08 0.11 0.58 -0.09 -1.01 0.00 0.00 177.57 177.08 3cf5 h ARG 18 N 0.58 0.78 -6.25 4.17 2.43 -0.28 -3.36 114.38 112.46 3cf5 h ARG 18 Ca 0.24 -0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 58.80 3cf5 h ARG 18 Cb 0.12 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3cf5 h ARG 18 CO -0.15 0.52 1.27 0.99 -1.51 0.00 0.00 179.97 181.09 3cf5 s THR 19 N -5.77 3.49 0.41 0.20 2.01 -0.23 -4.94 115.64 110.81 3cf5 s THR 19 Ca -0.11 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 3cf5 s THR 19 Cb 0.22 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 3cf5 s THR 19 CO 0.79 -0.49 1.27 -0.89 -0.69 0.00 0.00 174.62 174.61 3cf5 s THR 20 N 7.07 2.74 0.00 -0.82 2.01 -1.26 -4.96 115.64 120.42 3cf5 s THR 20 Ca 0.77 0.64 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3cf5 s THR 20 Cb -0.21 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3cf5 s THR 20 CO 0.32 0.08 0.00 0.41 -0.69 0.00 0.00 174.62 174.74 3cf5 n THR 21 N 0.03 0.00 1.09 -0.82 -1.04 -1.26 -4.43 114.28 107.85 3cf5 n THR 21 Ca 0.04 0.01 0.13 0.00 -2.04 0.00 0.00 64.05 62.19 3cf5 n THR 21 Cb 0.44 -0.07 0.35 0.00 -1.82 0.00 0.00 70.33 69.23 3cf5 n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cf5 n ALA 22 N -3.00 3.24 0.15 2.41 0.00 -1.26 -3.09 120.51 118.96 3cf5 n ALA 22 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.12 3cf5 n ALA 22 Cb 0.00 -1.18 0.23 0.00 0.00 0.00 0.00 19.45 18.50 3cf5 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ALA 23 N 3.19 1.04 0.08 0.00 0.00 -1.99 -3.16 119.26 118.42 3cf5 h ALA 23 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3cf5 h ALA 23 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3cf5 h ALA 23 CO 0.00 0.67 -0.04 0.77 0.00 0.00 0.00 179.25 180.65 3cf5 h SER 24 N 0.00 -0.09 0.00 0.00 0.02 -1.75 -3.47 113.55 108.25 3cf5 h SER 24 Ca -0.01 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3cf5 h SER 24 Cb 0.99 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3cf5 h SER 24 CO 0.07 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 3cf5 n GLY 25 N 0.46 1.94 0.28 -3.77 0.00 -1.18 -4.97 105.19 97.95 3cf5 n GLY 25 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 3cf5 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 n ARG 26 N 0.00 -1.03 -4.39 1.61 1.74 -1.26 -4.87 116.66 108.45 3cf5 n ARG 26 Ca 0.00 -0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.78 3cf5 n ARG 26 Cb 0.00 -0.15 -0.10 0.00 -1.02 0.00 0.00 32.46 31.19 3cf5 n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cf5 s LEU 27 N 0.00 2.53 0.08 0.55 1.43 -1.23 -4.54 118.68 117.50 3cf5 s LEU 27 Ca 0.04 -1.09 0.09 0.00 -1.03 0.00 0.00 54.13 52.15 3cf5 s LEU 27 Cb -0.01 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3cf5 s LEU 27 CO 0.04 -0.22 -0.25 0.00 0.23 0.00 0.00 176.35 176.15 3cf5 s ARG 28 N -3.66 1.53 -0.09 1.70 1.70 -1.12 0.43 118.95 119.44 3cf5 s ARG 28 Ca 0.26 -1.16 0.03 0.00 -0.47 0.00 0.00 55.73 54.39 3cf5 s ARG 28 Cb 0.01 -1.81 -0.01 0.00 -0.57 0.00 0.00 34.95 32.56 3cf5 s ARG 28 CO 0.10 0.45 -0.18 -1.17 -1.08 0.00 0.00 175.30 173.42 3cf5 s LEU 29 N -1.56 2.44 0.00 -1.89 2.96 0.19 -0.96 118.68 119.86 3cf5 s LEU 29 Ca 0.11 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3cf5 s LEU 29 Cb -0.10 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3cf5 s LEU 29 CO 0.03 0.22 0.00 -1.54 -1.32 0.00 0.00 176.35 173.74 3cf5 n SER 30 N 3.17 0.00 0.00 3.68 3.41 0.16 0.44 113.62 124.48 3cf5 n SER 30 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3cf5 n SER 30 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3cf5 n SER 30 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3cf5 n VAL 31 N 0.00 0.00 -1.70 -3.33 3.14 -1.26 -4.19 118.33 110.98 3cf5 n VAL 31 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.41 3cf5 n VAL 31 Cb 0.00 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 32.96 3cf5 n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3cf5 n TYR 32 N -0.52 0.30 0.02 1.45 9.36 -1.26 -4.63 117.16 121.88 3cf5 n TYR 32 Ca 0.00 -1.52 0.00 0.00 3.32 0.00 0.00 57.90 59.70 3cf5 n TYR 32 Cb 0.00 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.46 3cf5 n TYR 32 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3cf5 n ARG 33 N -0.98 0.20 0.01 2.98 1.74 -1.26 -2.71 116.66 116.64 3cf5 n ARG 33 Ca 0.21 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 3cf5 n ARG 33 Cb 0.75 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 3cf5 n ARG 33 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3cf5 n SER 34 N 1.49 0.64 -3.10 0.55 2.88 -1.26 -4.82 113.62 109.99 3cf5 n SER 34 Ca 0.00 -0.42 -0.09 0.00 -1.33 0.00 0.00 58.87 57.02 3cf5 n SER 34 Cb 0.10 0.96 0.01 0.00 -0.75 0.00 0.00 64.21 64.53 3cf5 n SER 34 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3cf5 n SER 35 N -1.82 1.42 -1.32 -3.46 2.88 -1.10 -4.99 113.62 105.23 3cf5 n SER 35 Ca 0.02 -1.69 -0.08 0.00 -1.33 0.00 0.00 58.87 55.79 3cf5 n SER 35 Cb 0.41 -0.06 0.18 0.00 -0.75 0.00 0.00 64.21 63.99 3cf5 n SER 35 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3cf5 n LYS 36 N -1.14 2.05 -2.16 -1.46 4.76 -1.26 -4.47 118.16 114.47 3cf5 n LYS 36 Ca 0.01 -3.30 -0.21 0.00 -2.87 0.00 0.00 58.31 51.94 3cf5 n LYS 36 Cb 0.24 -1.89 0.02 0.00 -1.84 0.00 0.00 35.03 31.56 3cf5 n LYS 36 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3cf5 n HIS 37 N -1.08 2.58 -0.98 2.13 -0.00 -1.26 -4.83 115.22 111.79 3cf5 n HIS 37 Ca 0.36 -2.27 -0.38 0.00 0.46 0.00 0.00 57.72 55.89 3cf5 n HIS 37 Cb 1.01 -0.31 0.03 0.00 -0.12 0.00 0.00 29.99 30.60 3cf5 n HIS 37 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 3cf5 n ILE 38 N -0.68 0.00 -1.14 3.57 0.13 -1.26 -4.77 119.36 115.21 3cf5 n ILE 38 Ca 0.39 -0.02 0.00 0.00 -1.10 0.00 0.00 62.75 62.01 3cf5 n ILE 38 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.73 3cf5 n ILE 38 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3cf5 n TYR 39 N -3.39 0.00 -2.06 9.51 0.53 -1.26 -4.35 117.16 116.14 3cf5 n TYR 39 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 3cf5 n TYR 39 Cb 0.74 0.01 0.00 0.00 -1.03 0.00 0.00 39.34 39.05 3cf5 n TYR 39 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3cf5 n ALA 40 N 0.00 -0.56 -1.90 -0.72 0.00 -1.26 -4.05 120.51 112.02 3cf5 n ALA 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3cf5 n ALA 40 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 3cf5 n ALA 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3cf5 s GLN 41 N -2.74 4.29 -0.16 0.00 0.74 -1.26 -2.23 119.66 118.30 3cf5 s GLN 41 Ca 0.00 1.07 0.01 0.00 0.05 0.00 0.00 55.36 56.49 3cf5 s GLN 41 Cb 0.00 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.64 3cf5 s GLN 41 CO 0.00 0.14 -0.20 0.42 -0.55 0.00 0.00 175.29 175.11 3cf5 s ILE 42 N -1.90 1.99 0.03 -2.34 -1.09 -1.26 0.36 121.20 116.99 3cf5 s ILE 42 Ca 0.55 -0.91 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 3cf5 s ILE 42 Cb -0.13 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 3cf5 s ILE 42 CO 0.18 0.53 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.57 3cf5 s ILE 43 N 1.17 1.80 -0.47 2.92 1.09 -0.13 -0.49 121.20 127.09 3cf5 s ILE 43 Ca 0.01 -1.20 -0.21 0.00 -1.10 0.00 0.00 60.65 58.15 3cf5 s ILE 43 Cb -0.14 -1.55 0.03 0.00 -1.06 0.00 0.00 42.46 39.75 3cf5 s ILE 43 CO -0.09 0.30 0.68 -0.62 -0.10 0.00 0.00 174.94 175.10 3cf5 s ASP 44 N -1.07 6.30 0.00 3.58 -1.08 -1.01 -2.80 116.67 120.59 3cf5 s ASP 44 Ca 0.09 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 3cf5 s ASP 44 Cb -0.09 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 3cf5 s ASP 44 CO 0.01 -0.86 0.00 -0.90 0.52 0.00 0.00 175.17 173.94 3cf5 n ASP 45 N 6.39 0.00 0.00 -0.34 5.75 -1.26 -2.98 116.55 124.11 3cf5 n ASP 45 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3cf5 n ASP 45 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3cf5 n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3cf5 n SER 46 N 0.00 0.00 -4.73 -1.12 3.41 -1.26 -4.72 113.62 105.21 3cf5 n SER 46 Ca 0.00 0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 59.01 3cf5 n SER 46 Cb 0.00 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3cf5 n SER 46 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cf5 s ARG 47 N -2.27 4.18 -1.15 4.33 0.52 -1.16 -4.83 118.95 118.57 3cf5 s ARG 47 Ca 0.00 2.46 -0.09 0.00 -0.52 0.00 0.00 55.73 57.57 3cf5 s ARG 47 Cb 0.00 -3.11 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 3cf5 s ARG 47 CO 0.00 -0.64 2.35 0.41 0.02 0.00 0.00 175.30 177.44 3cf5 n GLY 48 N 3.47 3.48 3.48 -3.53 0.00 -1.26 -4.41 105.19 106.42 3cf5 n GLY 48 Ca 0.13 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 3cf5 n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cf5 s GLN 49 N 3.20 1.72 -0.16 1.61 -0.21 -1.26 -5.08 119.66 119.48 3cf5 s GLN 49 Ca 0.51 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.48 3cf5 s GLN 49 Cb 0.13 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.19 3cf5 s GLN 49 CO -0.03 0.42 -0.21 0.99 -2.12 0.00 0.00 175.29 174.34 3cf5 s THR 50 N -1.66 2.08 -0.04 -0.19 2.01 -1.26 -2.40 115.64 114.18 3cf5 s THR 50 Ca 0.22 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 3cf5 s THR 50 Cb -0.08 -1.85 -0.32 0.00 0.01 0.00 0.00 72.50 70.26 3cf5 s THR 50 CO 0.12 0.54 0.84 -0.07 -0.69 0.00 0.00 174.62 175.36 3cf5 h LEU 51 N 7.61 0.54 0.00 4.42 4.07 -1.15 -3.49 115.31 127.32 3cf5 h LEU 51 Ca -0.39 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 56.65 3cf5 h LEU 51 Cb 1.17 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3cf5 h LEU 51 CO 0.59 1.53 0.00 0.00 -1.08 0.00 0.00 178.44 179.48 3cf5 n ALA 52 N -2.75 0.00 0.00 1.53 0.00 -1.24 -5.04 120.51 113.02 3cf5 n ALA 52 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3cf5 n ALA 52 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 3cf5 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 53 N -3.00 0.00 -2.72 0.00 0.00 -1.26 -4.68 120.51 108.85 3cf5 n ALA 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3cf5 n ALA 53 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3cf5 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 54 N 1.02 -1.77 -1.00 0.00 0.00 -0.95 -4.78 120.51 113.03 3cf5 n ALA 54 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3cf5 n ALA 54 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3cf5 n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cf5 n SER 55 N 1.19 0.00 -0.44 0.00 3.41 -1.26 -4.50 113.62 112.03 3cf5 n SER 55 Ca 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 3cf5 n SER 55 Cb 0.67 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 3cf5 n SER 55 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3cf5 n SER 56 N 0.00 -0.13 0.08 4.04 7.64 -1.26 -4.24 113.62 119.74 3cf5 n SER 56 Ca 0.00 -0.33 -0.10 0.00 1.01 0.00 0.00 58.87 59.44 3cf5 n SER 56 Cb 0.00 0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 3cf5 n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cf5 h ALA 57 N 0.00 0.26 -0.76 -0.43 0.00 -1.94 -3.40 119.26 113.00 3cf5 h ALA 57 Ca -0.08 -0.89 -0.51 0.00 0.00 0.00 0.00 54.91 53.43 3cf5 h ALA 57 Cb 0.52 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3cf5 h ALA 57 CO -0.04 1.14 1.55 0.00 0.00 0.00 0.00 179.25 181.90 3cf5 s ALA 58 N -2.71 2.53 0.00 0.00 0.00 -1.26 -4.83 121.76 115.49 3cf5 s ALA 58 Ca -0.01 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.55 3cf5 s ALA 58 Cb 0.09 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.58 3cf5 s ALA 58 CO 0.84 -4.16 0.00 1.28 0.00 0.00 0.00 175.76 173.72 3cf5 n LEU 59 N 11.09 0.00 0.00 0.00 4.77 -1.26 -4.89 117.00 126.71 3cf5 n LEU 59 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3cf5 n LEU 59 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3cf5 n LEU 59 CO 0.70 -0.24 0.00 2.29 -1.33 0.00 0.00 177.39 178.81 3cf5 n LYS 60 N 0.00 0.00 0.00 3.23 0.00 -1.26 -4.83 118.16 115.30 3cf5 n LYS 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3cf5 n LYS 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3cf5 n LYS 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3cf5 n SER 61 N 0.00 0.00 0.00 -5.58 3.41 -1.26 -3.77 113.62 106.42 3cf5 n SER 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3cf5 n SER 61 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3cf5 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cf5 n GLY 62 N -2.00 1.19 3.88 5.00 0.00 -1.26 -5.14 105.19 106.86 3cf5 n GLY 62 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3cf5 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cf5 s ASN 63 N 0.00 6.07 0.00 1.61 0.02 -1.25 -4.95 114.94 116.45 3cf5 s ASN 63 Ca 0.00 1.31 0.00 0.00 -1.02 0.00 0.00 52.86 53.15 3cf5 s ASN 63 Cb 0.00 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.94 3cf5 s ASN 63 CO 0.00 -0.94 0.00 2.29 0.02 0.00 0.00 177.10 178.47 3cf5 n LYS 64 N -2.76 0.00 -0.00 -0.60 0.00 -1.26 -4.46 118.16 109.08 3cf5 n LYS 64 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.46 3cf5 n LYS 64 Cb 0.55 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.44 3cf5 n LYS 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3cf5 n THR 65 N -1.11 0.00 -0.06 0.58 -2.24 -1.26 -4.21 114.28 105.98 3cf5 n THR 65 Ca 0.00 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 3cf5 n THR 65 Cb 0.00 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 3cf5 n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cf5 n ASP 66 N -1.85 1.47 0.00 3.42 8.00 -1.26 -3.87 116.55 122.46 3cf5 n ASP 66 Ca -0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3cf5 n ASP 66 Cb 0.42 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3cf5 n ASP 66 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cf5 n THR 67 N -3.20 0.00 0.00 -3.53 -1.04 -1.26 -4.10 114.28 101.15 3cf5 n THR 67 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3cf5 n THR 67 Cb 1.05 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3cf5 n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cf5 n ALA 68 N -0.87 0.00 0.16 2.41 0.00 -1.25 -0.35 120.51 120.60 3cf5 n ALA 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3cf5 n ALA 68 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 3cf5 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 69 N -1.02 0.72 0.25 0.00 0.00 -1.26 -1.75 120.51 117.46 3cf5 n ALA 69 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 3cf5 n ALA 69 Cb 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 3cf5 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ALA 70 N 1.39 -0.57 0.00 0.00 0.00 -0.93 0.16 119.26 119.30 3cf5 h ALA 70 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3cf5 h ALA 70 Cb 0.45 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3cf5 h ALA 70 CO 0.00 -0.82 -0.32 -0.24 0.00 0.00 0.00 179.25 177.86 3cf5 h VAL 71 N -0.57 1.20 -0.46 0.00 3.04 -0.43 0.72 116.25 119.75 3cf5 h VAL 71 Ca -0.06 -1.12 -0.14 0.00 -1.01 0.00 0.00 66.70 64.37 3cf5 h VAL 71 Cb 0.44 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 3cf5 h VAL 71 CO 0.09 0.32 -0.26 1.23 -1.01 0.00 0.00 177.57 177.94 3cf5 h GLY 72 N 1.02 1.06 0.82 3.17 0.00 -1.42 -2.16 103.07 105.56 3cf5 h GLY 72 Ca -0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 47.33 46.26 3cf5 h GLY 72 CO 0.04 0.88 -0.26 1.70 0.00 0.00 0.00 176.54 178.91 3cf5 h LYS 73 N 0.83 0.48 0.00 4.80 3.64 -0.10 -1.01 116.57 125.20 3cf5 h LYS 73 Ca 0.10 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3cf5 h LYS 73 Cb 0.84 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3cf5 h LYS 73 CO 0.07 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 3cf5 n ALA 74 N -2.47 1.42 -0.08 5.00 0.00 0.25 -2.91 120.51 121.71 3cf5 n ALA 74 Ca -0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3cf5 n ALA 74 Cb 0.44 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3cf5 n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3cf5 n LEU 75 N -1.40 1.17 -0.09 0.00 7.94 -0.82 -3.94 117.00 119.85 3cf5 n LEU 75 Ca 0.03 0.18 -0.08 0.00 -1.11 0.00 0.00 56.01 55.03 3cf5 n LEU 75 Cb 0.07 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.54 3cf5 n LEU 75 CO 0.06 0.34 0.65 0.00 -1.11 0.00 0.00 177.39 177.33 3cf5 h ALA 76 N -0.54 -0.19 0.00 1.96 0.00 -1.13 1.02 119.26 120.37 3cf5 h ALA 76 Ca -0.39 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3cf5 h ALA 76 Cb 1.35 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 3cf5 h ALA 76 CO -0.23 -0.73 -0.09 0.00 0.00 0.00 0.00 179.25 178.20 3cf5 h ALA 77 N 0.73 1.01 -0.06 0.00 0.00 -1.62 -3.20 119.26 116.13 3cf5 h ALA 77 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cf5 h ALA 77 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3cf5 h ALA 77 CO -0.50 0.12 0.03 0.00 0.00 0.00 0.00 179.25 178.90 3cf5 h ALA 78 N 1.91 0.07 -0.42 0.00 0.00 0.87 -2.41 119.26 119.28 3cf5 h ALA 78 Ca -0.00 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3cf5 h ALA 78 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3cf5 h ALA 78 CO 0.01 -0.36 0.29 0.00 0.00 0.00 0.00 179.25 179.20 3cf5 h ALA 79 N 0.89 2.29 -0.92 0.00 0.00 -1.03 -2.24 119.26 118.25 3cf5 h ALA 79 Ca 0.02 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.22 3cf5 h ALA 79 Cb 0.13 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.76 3cf5 h ALA 79 CO -0.00 -0.41 0.19 0.00 0.00 0.00 0.00 179.25 179.04 3cf5 n ALA 80 N -2.60 0.65 -1.39 0.00 0.00 -0.91 0.19 120.51 116.46 3cf5 n ALA 80 Ca 0.07 0.97 -0.26 0.00 0.00 0.00 0.00 53.44 54.22 3cf5 n ALA 80 Cb 0.44 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 3cf5 n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cf5 n GLU 81 N -5.26 2.78 0.00 0.00 1.02 -0.84 -2.13 120.64 116.21 3cf5 n GLU 81 Ca 0.27 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 3cf5 n GLU 81 Cb 0.89 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3cf5 n GLU 81 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3cf5 n LYS 82 N 1.87 0.00 -1.48 3.49 4.76 0.25 -5.08 118.16 121.97 3cf5 n LYS 82 Ca 0.53 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 3cf5 n LYS 82 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 3cf5 n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cf5 n GLY 83 N -0.78 -0.09 3.54 0.72 0.00 0.51 -5.08 105.19 104.01 3cf5 n GLY 83 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3cf5 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cf5 s ILE 84 N -2.99 4.14 -0.21 -0.61 1.09 -1.25 -5.00 121.20 116.37 3cf5 s ILE 84 Ca 0.00 -0.27 -0.16 0.00 -1.10 0.00 0.00 60.65 59.12 3cf5 s ILE 84 Cb 0.00 -2.83 -0.09 0.00 -1.06 0.00 0.00 42.46 38.49 3cf5 s ILE 84 CO 0.00 0.49 -0.30 1.17 -0.10 0.00 0.00 174.94 176.20 3cf5 n LYS 85 N 3.47 0.54 -3.73 2.79 4.81 -1.26 -4.89 118.16 119.90 3cf5 n LYS 85 Ca -0.17 0.28 -0.37 0.00 -0.87 0.00 0.00 58.31 57.18 3cf5 n LYS 85 Cb 0.52 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 3cf5 n LYS 85 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3cf5 s GLN 86 N -2.68 3.73 0.33 1.64 -1.52 -1.26 -5.08 119.66 114.82 3cf5 s GLN 86 Ca -0.31 -0.44 0.03 0.00 -1.95 0.00 0.00 55.36 52.69 3cf5 s GLN 86 Cb 0.08 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 3cf5 s GLN 86 CO 0.44 -0.16 0.12 0.08 -0.25 0.00 0.00 175.29 175.52 3cf5 s VAL 87 N 1.58 0.60 -0.09 1.09 1.01 -1.26 -3.52 120.40 119.81 3cf5 s VAL 87 Ca 0.06 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.99 3cf5 s VAL 87 Cb -0.15 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3cf5 s VAL 87 CO 0.05 0.00 0.23 -0.69 0.00 0.00 0.00 175.10 174.69 3cf5 s VAL 88 N -3.48 -0.03 -0.63 2.92 1.01 1.47 -4.71 120.40 116.95 3cf5 s VAL 88 Ca 0.33 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 3cf5 s VAL 88 Cb 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3cf5 s VAL 88 CO 0.16 0.04 1.91 0.72 0.00 0.00 0.00 175.10 177.93 3cf5 s PHE 89 N 0.87 1.62 -0.96 5.22 -0.12 -1.26 0.56 117.98 123.91 3cf5 s PHE 89 Ca -0.06 0.84 -0.02 0.00 -0.05 0.00 0.00 56.93 57.64 3cf5 s PHE 89 Cb -0.08 -4.04 0.29 0.00 -0.63 0.00 0.00 43.02 38.56 3cf5 s PHE 89 CO -0.05 -2.27 1.23 -0.40 -0.05 0.00 0.00 175.22 173.67 3cf5 n ASP 90 N 13.15 5.56 -3.05 1.98 5.75 0.17 -4.90 116.55 135.21 3cf5 n ASP 90 Ca 0.23 -3.38 -0.05 0.00 -0.01 0.00 0.00 54.79 51.59 3cf5 n ASP 90 Cb 0.52 -1.12 0.04 0.00 -1.03 0.00 0.00 41.12 39.54 3cf5 n ASP 90 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3cf5 n ARG 91 N 1.37 -1.96 0.00 0.11 0.00 -1.26 -4.47 116.66 110.45 3cf5 n ARG 91 Ca 0.26 -0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3cf5 n ARG 91 Cb 0.36 -0.31 0.00 0.00 -0.00 0.00 0.00 32.46 32.51 3cf5 n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cf5 n GLY 92 N -0.81 3.77 0.18 2.89 0.00 -1.26 -4.65 105.19 105.31 3cf5 n GLY 92 Ca 0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 3cf5 n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cf5 h SER 93 N 0.00 0.34 0.00 1.61 0.02 -1.93 -3.42 113.55 110.17 3cf5 h SER 93 Ca 0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 3cf5 h SER 93 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3cf5 h SER 93 CO 0.00 0.24 0.69 -1.22 -1.14 0.00 0.00 176.83 175.40 3cf5 n TYR 94 N -4.89 0.01 -0.48 3.45 0.53 -1.26 -4.72 117.16 109.79 3cf5 n TYR 94 Ca 0.02 0.01 -0.13 0.00 -1.02 0.00 0.00 57.90 56.78 3cf5 n TYR 94 Cb 0.09 -0.20 -0.02 0.00 -1.03 0.00 0.00 39.34 38.18 3cf5 n TYR 94 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3cf5 n LYS 95 N 1.92 1.31 -3.86 -0.72 5.02 -1.26 -4.65 118.16 115.92 3cf5 n LYS 95 Ca 0.23 -1.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.26 3cf5 n LYS 95 Cb 0.05 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 32.80 3cf5 n LYS 95 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3cf5 n TYR 96 N 4.12 -0.93 0.00 2.13 9.36 -1.26 -4.94 117.16 125.64 3cf5 n TYR 96 Ca 0.28 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.97 3cf5 n TYR 96 Cb 0.14 -1.93 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 3cf5 n TYR 96 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3cf5 n HIS 97 N -3.58 0.00 -0.06 2.98 -0.00 -1.26 -4.62 115.22 108.69 3cf5 n HIS 97 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.53 3cf5 n HIS 97 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.46 3cf5 n HIS 97 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3cf5 h GLY 98 N 0.00 0.00 -0.92 1.57 0.00 -1.95 -1.60 103.07 100.17 3cf5 h GLY 98 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 3cf5 h GLY 98 CO 0.00 0.00 -0.32 -0.96 0.00 0.00 0.00 176.54 175.26 3cf5 n ARG 99 N -4.38 -0.17 0.14 4.80 1.85 -1.26 0.17 116.66 117.81 3cf5 n ARG 99 Ca -0.04 1.42 -0.24 0.00 -1.00 0.00 0.00 57.85 57.98 3cf5 n ARG 99 Cb 0.16 -2.11 -0.16 0.00 -1.05 0.00 0.00 32.46 29.30 3cf5 n ARG 99 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 3cf5 h VAL 100 N 0.00 1.30 -0.88 8.89 3.04 -1.94 -3.05 116.25 123.61 3cf5 h VAL 100 Ca 0.36 -2.73 0.21 0.00 -1.01 0.00 0.00 66.70 63.53 3cf5 h VAL 100 Cb 0.59 3.03 -0.06 0.00 -2.01 0.00 0.00 31.29 32.84 3cf5 h VAL 100 CO -0.92 0.82 0.59 0.50 -1.01 0.00 0.00 177.57 177.55 3cf5 h LYS 101 N 0.15 0.31 0.00 4.17 3.64 0.43 -1.64 116.57 123.62 3cf5 h LYS 101 Ca -0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3cf5 h LYS 101 Cb 2.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 3cf5 h LYS 101 CO 0.27 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 3cf5 n ALA 102 N -2.56 0.00 -0.13 5.00 0.00 0.45 0.07 120.51 123.34 3cf5 n ALA 102 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.67 3cf5 n ALA 102 Cb 0.74 0.10 0.10 0.00 0.00 0.00 0.00 19.45 20.38 3cf5 n ALA 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3cf5 n LEU 103 N -0.45 -0.07 0.00 0.00 0.00 -0.78 -0.36 117.00 115.33 3cf5 n LEU 103 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 56.01 56.66 3cf5 n LEU 103 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.19 3cf5 n LEU 103 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 177.39 176.74 3cf5 n ALA 104 N -3.58 0.00 -0.20 1.96 0.00 0.05 -0.65 120.51 118.09 3cf5 n ALA 104 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 3cf5 n ALA 104 Cb 0.26 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.76 3cf5 n ALA 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cf5 n ASP 105 N 0.00 -0.26 -0.15 0.00 8.00 0.11 0.28 116.55 124.53 3cf5 n ASP 105 Ca 0.00 0.92 -0.09 0.00 0.71 0.00 0.00 54.79 56.34 3cf5 n ASP 105 Cb 0.00 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 3cf5 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cf5 h ALA 106 N 0.92 -0.55 -0.20 2.24 0.00 -0.72 -1.92 119.26 119.02 3cf5 h ALA 106 Ca 0.22 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3cf5 h ALA 106 Cb 0.36 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3cf5 h ALA 106 CO -0.54 -0.76 -0.56 0.00 0.00 0.00 0.00 179.25 177.39 3cf5 h ALA 107 N -0.33 0.34 0.00 0.00 0.00 0.37 -0.95 119.26 118.69 3cf5 h ALA 107 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cf5 h ALA 107 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3cf5 h ALA 107 CO -0.46 0.56 0.00 -2.13 0.00 0.00 0.00 179.25 177.22 3cf5 n ARG 108 N -4.09 0.00 0.00 0.00 3.00 0.81 -1.18 116.66 115.20 3cf5 n ARG 108 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3cf5 n ARG 108 Cb 0.63 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 31.97 3cf5 n ARG 108 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3cf5 n GLU 109 N -0.57 0.00 0.27 -0.14 0.28 -0.83 -4.83 120.64 114.82 3cf5 n GLU 109 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.17 3cf5 n GLU 109 Cb 0.00 -0.46 0.69 0.00 1.43 0.00 0.00 31.44 33.10 3cf5 n GLU 109 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3cf5 h GLY 110 N 0.00 0.00 1.00 -1.84 0.00 -0.03 -3.51 103.07 98.68 3cf5 h GLY 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cf5 h GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15