#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n GLY 4 N 0.00 -0.08 1.56 1.57 0.00 -1.26 -5.06 105.19 101.92 3cf5 n GLY 4 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3cf5 n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf5 n LYS 5 N -0.40 1.25 0.00 1.61 5.02 -1.26 -4.79 118.16 119.59 3cf5 n LYS 5 Ca -0.16 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 3cf5 n LYS 5 Cb 0.72 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3cf5 n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 n ALA 6 N 0.98 0.00 0.00 7.82 0.00 -1.26 -5.13 120.51 122.91 3cf5 n ALA 6 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3cf5 n ALA 6 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3cf5 n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 7 N 2.05 -0.99 0.00 0.00 0.00 -1.26 -5.21 105.19 99.78 3cf5 n GLY 7 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3cf5 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 n ARG 8 N 0.00 0.00 -3.65 1.61 5.12 -1.26 -5.21 116.66 113.28 3cf5 n ARG 8 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3cf5 n ARG 8 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 3cf5 n ARG 8 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3cf5 s LYS 9 N 2.38 0.22 0.00 5.56 1.02 -1.26 -5.16 119.74 122.50 3cf5 s LYS 9 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.31 3cf5 s LYS 9 Cb 0.00 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 3cf5 s LYS 9 CO 0.00 -0.04 0.00 1.28 -0.92 0.00 0.00 175.35 175.67 3cf5 n LEU 10 N 2.68 0.00 0.00 3.17 4.77 -1.26 -5.02 117.00 121.35 3cf5 n LEU 10 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3cf5 n LEU 10 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3cf5 n LEU 10 CO 0.03 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.63 3cf5 n ASN 11 N 0.00 0.00 0.00 -1.43 6.94 -1.26 -5.08 115.26 114.43 3cf5 n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3cf5 n ASN 11 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3cf5 n ASN 11 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3cf5 n ARG 12 N 0.00 1.06 0.00 -3.83 1.85 -1.26 -5.14 116.66 109.33 3cf5 n ARG 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3cf5 n ARG 12 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3cf5 n ARG 12 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3cf5 n ASN 13 N 0.00 0.00 -0.12 2.89 2.04 -1.26 -4.88 115.26 113.93 3cf5 n ASN 13 Ca 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 54.58 53.88 3cf5 n ASN 13 Cb 0.00 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.14 3cf5 n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3cf5 n SER 14 N 0.00 1.93 0.09 0.53 3.41 -1.26 -3.78 113.62 114.55 3cf5 n SER 14 Ca 0.00 0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 58.93 3cf5 n SER 14 Cb 0.00 -0.85 0.26 0.00 -0.26 0.00 0.00 64.21 63.37 3cf5 n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3cf5 h SER 15 N -0.90 0.26 0.36 4.04 4.64 -2.01 -3.28 113.55 116.67 3cf5 h SER 15 Ca -0.57 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 3cf5 h SER 15 Cb 1.55 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3cf5 h SER 15 CO -0.32 0.58 -0.17 0.00 -0.87 0.00 0.00 176.83 176.05 3cf5 h ALA 16 N 1.44 -0.74 -1.34 5.18 0.00 -1.94 -2.23 119.26 119.62 3cf5 h ALA 16 Ca 0.03 -0.11 0.47 0.00 0.00 0.00 0.00 54.91 55.30 3cf5 h ALA 16 Cb 0.70 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 3cf5 h ALA 16 CO 0.05 -0.71 0.86 -2.13 0.00 0.00 0.00 179.25 177.32 3cf5 n ARG 17 N -3.93 -0.04 0.27 0.00 3.00 -1.25 0.23 116.66 114.95 3cf5 n ARG 17 Ca -0.06 1.22 -0.11 0.00 -0.00 0.00 0.00 57.85 58.91 3cf5 n ARG 17 Cb 0.19 -2.41 -0.05 0.00 0.00 0.00 0.00 32.46 30.19 3cf5 n ARG 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3cf5 h VAL 18 N 0.00 0.00 -0.94 5.15 2.07 -1.60 -1.68 116.25 119.25 3cf5 h VAL 18 Ca 0.86 -0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.64 3cf5 h VAL 18 Cb 2.76 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 32.36 3cf5 h VAL 18 CO -0.46 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.24 3cf5 h ALA 19 N -1.68 1.22 -3.00 1.67 0.00 0.35 -1.02 119.26 116.80 3cf5 h ALA 19 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cf5 h ALA 19 Cb 0.53 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cf5 h ALA 19 CO 0.12 -0.56 0.00 -0.11 0.00 0.00 0.00 179.25 178.69 3cf5 n LEU 20 N -5.40 0.07 -0.01 0.00 7.94 -0.45 -0.21 117.00 118.94 3cf5 n LEU 20 Ca 0.23 0.38 -0.00 0.00 -1.11 0.00 0.00 56.01 55.50 3cf5 n LEU 20 Cb 0.75 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.70 3cf5 n LEU 20 CO -0.02 0.00 0.12 0.00 -1.11 0.00 0.00 177.39 176.37 3cf5 n ALA 21 N -1.06 -0.02 -0.21 1.96 0.00 -0.64 0.35 120.51 120.88 3cf5 n ALA 21 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 3cf5 n ALA 21 Cb 0.00 0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.60 3cf5 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ARG 22 N 0.00 -0.05 0.28 0.00 3.08 -1.26 1.57 114.38 118.00 3cf5 h ARG 22 Ca 0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3cf5 h ARG 22 Cb 0.01 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3cf5 h ARG 22 CO -0.03 -0.03 -0.38 0.00 -1.07 0.00 0.00 179.97 178.46 3cf5 h ALA 23 N 1.48 -0.75 -0.52 0.04 0.00 0.94 0.46 119.26 120.91 3cf5 h ALA 23 Ca 0.29 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3cf5 h ALA 23 Cb 0.50 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3cf5 h ALA 23 CO -0.67 -0.97 -0.08 1.96 0.00 0.00 0.00 179.25 179.49 3cf5 h GLN 24 N -0.71 0.95 -0.54 0.00 4.20 -0.30 -2.60 115.11 116.11 3cf5 h GLN 24 Ca -0.01 -0.32 0.07 0.00 0.06 0.00 0.00 58.65 58.44 3cf5 h GLN 24 Cb 0.67 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.28 3cf5 h GLN 24 CO -0.12 0.99 -0.53 0.00 -0.67 0.00 0.00 178.83 178.49 3cf5 h ALA 25 N 1.04 -0.63 -0.31 3.87 0.00 0.27 -1.11 119.26 122.40 3cf5 h ALA 25 Ca 0.14 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3cf5 h ALA 25 Cb 0.61 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 3cf5 h ALA 25 CO 0.04 -0.98 -0.48 1.15 0.00 0.00 0.00 179.25 178.97 3cf5 h THR 26 N -0.30 0.06 -0.01 0.00 2.02 -0.55 -2.15 112.91 111.99 3cf5 h THR 26 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3cf5 h THR 26 Cb 0.56 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3cf5 h THR 26 CO -0.67 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.21 3cf5 h ALA 27 N 0.11 -0.22 -0.94 6.16 0.00 -0.89 0.29 119.26 123.76 3cf5 h ALA 27 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3cf5 h ALA 27 Cb 0.62 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 3cf5 h ALA 27 CO -0.52 -0.23 -0.48 1.25 0.00 0.00 0.00 179.25 179.27 3cf5 h LEU 28 N -0.00 -1.75 -2.39 0.00 6.46 -1.34 1.56 115.31 117.84 3cf5 h LEU 28 Ca 0.00 0.31 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 3cf5 h LEU 28 Cb 0.01 0.83 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 3cf5 h LEU 28 CO -0.01 -0.27 0.04 -0.07 -0.62 0.00 0.00 178.44 177.50 3cf5 h LEU 29 N -0.03 0.00 0.00 2.25 3.38 -0.65 0.78 115.31 121.04 3cf5 h LEU 29 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3cf5 h LEU 29 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3cf5 h LEU 29 CO -0.93 0.00 -0.78 -0.09 0.09 0.00 0.00 178.44 176.74 3cf5 h ARG 30 N 0.00 0.00 0.00 1.13 2.43 0.56 -3.39 114.38 115.11 3cf5 h ARG 30 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cf5 h ARG 30 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3cf5 h ARG 30 CO -0.00 0.00 -0.41 0.39 -1.51 0.00 0.00 179.97 178.44 3cf5 n GLU 31 N -2.16 0.10 -0.05 0.20 1.02 0.15 -5.02 120.64 114.88 3cf5 n GLU 31 Ca 0.02 -1.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 3cf5 n GLU 31 Cb 0.45 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 3cf5 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf5 n GLY 32 N -0.09 0.00 3.27 0.62 0.00 0.27 -4.60 105.19 104.65 3cf5 n GLY 32 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3cf5 n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cf5 s ARG 33 N -0.11 0.17 0.24 1.61 3.52 -1.26 0.00 118.95 123.14 3cf5 s ARG 33 Ca 0.00 0.41 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3cf5 s ARG 33 Cb 0.00 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.59 3cf5 s ARG 33 CO 0.00 -0.08 -0.15 0.96 -0.81 0.00 0.00 175.30 175.21 3cf5 s ILE 34 N 2.40 1.99 -0.02 4.11 -4.36 -0.93 -4.95 121.20 119.44 3cf5 s ILE 34 Ca -0.01 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 3cf5 s ILE 34 Cb -0.05 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 3cf5 s ILE 34 CO -0.16 -0.49 0.02 -1.58 0.24 0.00 0.00 174.94 172.97 3cf5 s GLN 35 N -3.61 2.89 0.33 0.37 0.74 -1.26 -2.28 119.66 116.84 3cf5 s GLN 35 Ca 0.26 -0.54 -0.13 0.00 0.05 0.00 0.00 55.36 54.99 3cf5 s GLN 35 Cb -0.02 -2.74 0.05 0.00 1.10 0.00 0.00 33.01 31.41 3cf5 s GLN 35 CO 0.10 0.64 0.70 -2.37 -0.55 0.00 0.00 175.29 173.82 3cf5 n THR 36 N 1.48 0.00 -2.05 -0.34 5.66 0.59 -4.97 114.28 114.65 3cf5 n THR 36 Ca -0.15 -0.84 -0.41 0.00 -3.05 0.00 0.00 64.05 59.60 3cf5 n THR 36 Cb 0.53 0.85 -0.02 0.00 -1.55 0.00 0.00 70.33 70.14 3cf5 n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cf5 s THR 37 N -2.21 2.66 0.28 1.09 -4.23 -1.26 0.87 115.64 112.84 3cf5 s THR 37 Ca 0.14 0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 3cf5 s THR 37 Cb -0.04 -3.38 0.42 0.00 1.34 0.00 0.00 72.50 70.84 3cf5 s THR 37 CO 0.10 0.12 1.57 0.25 -0.54 0.00 0.00 174.62 176.12 3cf5 h LEU 38 N 4.21 -0.80 -0.06 4.79 5.85 -1.75 0.98 115.31 128.53 3cf5 h LEU 38 Ca -0.48 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3cf5 h LEU 38 Cb 1.22 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 3cf5 h LEU 38 CO 0.72 -0.32 -0.04 0.74 -0.34 0.00 0.00 178.44 179.20 3cf5 h THR 39 N 0.00 1.35 -0.03 1.05 2.02 -1.89 -2.72 112.91 112.69 3cf5 h THR 39 Ca 0.48 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3cf5 h THR 39 Cb 0.78 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3cf5 h THR 39 CO -0.96 0.31 0.34 0.11 0.37 0.00 0.00 175.52 175.69 3cf5 h LYS 40 N -0.28 0.00 0.09 6.66 1.57 -1.22 -0.17 116.57 123.23 3cf5 h LYS 40 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3cf5 h LYS 40 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3cf5 h LYS 40 CO 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.85 3cf5 h ALA 41 N 1.35 -0.29 -0.91 3.86 0.00 -1.02 -2.91 119.26 119.34 3cf5 h ALA 41 Ca 0.02 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.11 3cf5 h ALA 41 Cb 0.69 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.36 3cf5 h ALA 41 CO -0.00 -0.28 -0.08 0.87 0.00 0.00 0.00 179.25 179.76 3cf5 h LYS 42 N -0.38 0.03 -1.00 0.00 1.57 -0.77 1.81 116.57 117.83 3cf5 h LYS 42 Ca -0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3cf5 h LYS 42 Cb 0.09 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3cf5 h LYS 42 CO 0.02 0.02 0.66 1.49 -0.57 0.00 0.00 179.45 181.07 3cf5 h GLU 43 N 0.03 1.28 -0.15 3.15 4.22 -1.41 -3.01 114.58 118.70 3cf5 h GLU 43 Ca 0.49 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.81 3cf5 h GLU 43 Cb 0.89 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3cf5 h GLU 43 CO -0.88 0.85 -0.09 1.25 -2.18 0.00 0.00 179.01 177.96 3cf5 h LEU 44 N 1.32 0.33 0.00 1.64 5.85 0.28 -3.37 115.31 121.36 3cf5 h LEU 44 Ca 0.38 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3cf5 h LEU 44 Cb -0.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3cf5 h LEU 44 CO -0.10 0.69 0.00 -1.14 -0.34 0.00 0.00 178.44 177.55 3cf5 n ARG 45 N -4.63 0.00 -0.04 1.25 0.63 0.89 -1.27 116.66 113.49 3cf5 n ARG 45 Ca -0.06 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.03 3cf5 n ARG 45 Cb 0.31 -0.41 -0.02 0.00 0.45 0.00 0.00 32.46 32.79 3cf5 n ARG 45 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3cf5 h PRO 46 N 0.00 -0.11 -0.85 -0.14 0.13 -1.74 -1.54 132.00 127.74 3cf5 h PRO 46 Ca 0.00 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 3cf5 h PRO 46 Cb 0.00 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.03 3cf5 h PRO 46 CO 0.00 -0.08 0.31 0.35 -0.23 0.00 0.00 178.00 178.35 3cf5 h PHE 47 N -0.12 0.50 -0.21 1.56 3.57 -1.34 0.59 116.94 121.49 3cf5 h PHE 47 Ca 0.12 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 3cf5 h PHE 47 Cb 0.29 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3cf5 h PHE 47 CO -0.29 -0.08 -0.60 -0.24 -2.23 0.00 0.00 178.31 174.87 3cf5 h VAL 48 N 0.33 1.29 -0.13 1.41 3.04 -0.84 -1.85 116.25 119.50 3cf5 h VAL 48 Ca 0.52 -1.80 0.02 0.00 -1.01 0.00 0.00 66.70 64.43 3cf5 h VAL 48 Cb 0.97 1.84 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 3cf5 h VAL 48 CO -0.55 0.57 0.00 -0.33 -1.01 0.00 0.00 177.57 176.26 3cf5 h GLU 49 N 0.51 0.04 -0.32 4.17 5.08 0.44 0.10 114.58 124.61 3cf5 h GLU 49 Ca -0.02 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3cf5 h GLU 49 Cb 1.22 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 3cf5 h GLU 49 CO 0.13 0.03 -0.02 1.96 -1.00 0.00 0.00 179.01 180.11 3cf5 h GLN 50 N 0.05 0.07 -0.58 2.33 4.20 -0.01 -0.27 115.11 120.89 3cf5 h GLN 50 Ca 0.06 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.89 3cf5 h GLN 50 Cb 0.07 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 3cf5 h GLN 50 CO -0.10 0.05 -0.06 1.25 -0.67 0.00 0.00 178.83 179.29 3cf5 h LEU 51 N 0.07 -0.38 -1.01 1.46 5.85 -0.30 -0.28 115.31 120.73 3cf5 h LEU 51 Ca 0.15 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3cf5 h LEU 51 Cb 0.22 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3cf5 h LEU 51 CO -0.27 -0.15 0.58 0.16 -0.34 0.00 0.00 178.44 178.42 3cf5 h ILE 52 N 0.06 1.25 0.00 4.05 3.07 0.82 -0.81 117.51 125.95 3cf5 h ILE 52 Ca 0.30 -0.52 -0.01 0.00 1.55 0.00 0.00 64.86 66.18 3cf5 h ILE 52 Cb 0.47 -0.09 -0.00 0.00 -0.27 0.00 0.00 36.82 36.93 3cf5 h ILE 52 CO -0.55 0.26 -0.03 0.74 -1.05 0.00 0.00 178.15 177.52 3cf5 h THR 53 N 1.29 0.27 0.05 0.16 2.02 0.12 0.23 112.91 117.04 3cf5 h THR 53 Ca 0.34 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3cf5 h THR 53 Cb -0.09 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3cf5 h THR 53 CO -0.07 0.03 -0.02 0.74 0.37 0.00 0.00 175.52 176.57 3cf5 h THR 54 N 0.00 1.17 -0.68 3.16 2.02 -0.63 -3.21 112.91 114.74 3cf5 h THR 54 Ca -0.00 -1.63 0.16 0.00 0.77 0.00 0.00 66.41 65.72 3cf5 h THR 54 Cb 0.14 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3cf5 h THR 54 CO 0.00 0.36 0.47 0.00 0.37 0.00 0.00 175.52 176.72 3cf5 h ALA 55 N -0.21 2.36 0.00 6.16 0.00 -0.66 -2.68 119.26 124.24 3cf5 h ALA 55 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cf5 h ALA 55 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cf5 h ALA 55 CO 0.01 -0.55 0.00 1.17 0.00 0.00 0.00 179.25 179.88 3cf5 n LYS 56 N -4.42 0.36 0.00 0.00 4.81 0.73 -2.83 118.16 116.82 3cf5 n LYS 56 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3cf5 n LYS 56 Cb 0.62 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.41 3cf5 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cf5 n GLY 57 N 0.60 0.80 5.00 3.14 0.00 -1.01 -5.02 105.19 108.70 3cf5 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cf5 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 58 N 1.02 1.37 3.35 -0.02 0.00 -1.13 -4.93 105.19 104.85 3cf5 n GLY 58 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3cf5 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf5 n ASP 59 N 3.50 -2.47 -0.32 1.61 5.75 -1.26 -4.55 116.55 118.81 3cf5 n ASP 59 Ca 0.00 0.58 0.19 0.00 -0.01 0.00 0.00 54.79 55.55 3cf5 n ASP 59 Cb 0.00 -1.05 0.39 0.00 -1.03 0.00 0.00 41.12 39.43 3cf5 n ASP 59 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3cf5 h LEU 60 N -0.27 0.21 0.04 -2.12 5.85 -1.99 -1.40 115.31 115.64 3cf5 h LEU 60 Ca -0.44 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3cf5 h LEU 60 Cb 1.38 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 3cf5 h LEU 60 CO 0.41 -0.18 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.53 3cf5 h HIS 61 N 0.23 -0.16 -1.51 1.25 2.76 -1.98 0.30 115.15 116.05 3cf5 h HIS 61 Ca 0.66 0.00 0.44 0.00 -2.20 0.00 0.00 60.37 59.27 3cf5 h HIS 61 Cb 1.44 0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.40 3cf5 h HIS 61 CO -0.15 -0.07 1.07 0.77 -1.30 0.00 0.00 177.93 178.25 3cf5 h SER 62 N -0.10 0.04 0.15 3.26 0.02 -1.58 0.17 113.55 115.51 3cf5 h SER 62 Ca -0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3cf5 h SER 62 Cb 0.09 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3cf5 h SER 62 CO -0.02 -0.01 -0.07 -0.09 -1.14 0.00 0.00 176.83 175.50 3cf5 h ARG 63 N 0.03 -0.20 0.00 3.45 2.43 -0.17 -3.06 114.38 116.86 3cf5 h ARG 63 Ca 0.74 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.92 3cf5 h ARG 63 Cb 2.86 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 32.46 3cf5 h ARG 63 CO -0.06 -0.13 0.35 0.00 -1.51 0.00 0.00 179.97 178.61 3cf5 h ARG 64 N -0.32 0.00 -0.05 0.20 3.08 0.23 1.05 114.38 118.57 3cf5 h ARG 64 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3cf5 h ARG 64 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3cf5 h ARG 64 CO 0.03 0.00 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.44 3cf5 h LEU 65 N 0.00 0.46 -1.75 3.04 3.38 -1.09 -3.07 115.31 116.27 3cf5 h LEU 65 Ca 0.00 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 3cf5 h LEU 65 Cb 0.69 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3cf5 h LEU 65 CO 0.00 1.08 -0.17 0.58 0.09 0.00 0.00 178.44 180.02 3cf5 h VAL 66 N -0.13 0.86 0.00 1.22 2.07 0.12 0.64 116.25 121.03 3cf5 h VAL 66 Ca -0.04 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3cf5 h VAL 66 Cb 1.10 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3cf5 h VAL 66 CO 0.09 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3cf5 n ALA 67 N -2.39 1.55 1.02 1.67 0.00 -0.22 -1.51 120.51 120.63 3cf5 n ALA 67 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3cf5 n ALA 67 Cb 0.25 -1.15 0.19 0.00 0.00 0.00 0.00 19.45 18.74 3cf5 n ALA 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cf5 n GLN 68 N -1.35 0.10 -0.01 0.00 6.02 0.22 -4.00 117.38 118.35 3cf5 n GLN 68 Ca 0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3cf5 n GLN 68 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3cf5 n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3cf5 n ASP 69 N -1.40 0.98 -3.58 1.08 8.00 -0.57 -4.91 116.55 116.15 3cf5 n ASP 69 Ca 0.06 -1.52 -0.29 0.00 0.71 0.00 0.00 54.79 53.75 3cf5 n ASP 69 Cb 0.34 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 3cf5 n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cf5 s ILE 70 N -0.52 0.12 -0.51 0.53 -1.09 -0.71 -4.70 121.20 114.32 3cf5 s ILE 70 Ca 0.01 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 3cf5 s ILE 70 Cb 0.00 -1.08 0.34 0.00 -1.58 0.00 0.00 42.46 40.14 3cf5 s ILE 70 CO 0.00 -0.68 2.03 1.41 -1.23 0.00 0.00 174.94 176.47 3cf5 n HIS 71 N 5.17 2.46 -3.42 3.97 8.25 -1.26 -4.60 115.22 125.80 3cf5 n HIS 71 Ca -0.05 -2.55 -0.22 0.00 -0.26 0.00 0.00 57.72 54.64 3cf5 n HIS 71 Cb 0.43 -1.23 -0.10 0.00 1.12 0.00 0.00 29.99 30.20 3cf5 n HIS 71 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3cf5 s ASP 72 N -0.91 2.05 0.19 0.41 3.68 -1.26 -5.04 116.67 115.80 3cf5 s ASP 72 Ca 0.50 -1.62 -0.14 0.00 2.13 0.00 0.00 52.55 53.42 3cf5 s ASP 72 Cb 0.39 0.16 0.20 0.00 -1.45 0.00 0.00 42.92 42.22 3cf5 s ASP 72 CO -0.01 -0.31 1.25 0.29 0.13 0.00 0.00 175.17 176.52 3cf5 n LYS 73 N 4.44 -0.18 -0.10 4.34 5.02 -1.26 0.11 118.16 130.53 3cf5 n LYS 73 Ca 0.08 1.24 -0.06 0.00 -2.02 0.00 0.00 58.31 57.55 3cf5 n LYS 73 Cb 0.42 -1.85 0.01 0.00 -0.02 0.00 0.00 35.03 33.60 3cf5 n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3cf5 h ASP 74 N 0.00 -0.57 0.15 4.39 3.32 -1.98 0.79 116.42 122.52 3cf5 h ASP 74 Ca 0.29 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.49 3cf5 h ASP 74 Cb 0.49 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 3cf5 h ASP 74 CO -0.80 -0.20 -0.22 0.58 -1.72 0.00 0.00 179.24 176.87 3cf5 h VAL 75 N -0.10 0.50 -0.54 -1.35 2.07 0.40 -1.93 116.25 115.30 3cf5 h VAL 75 Ca 0.18 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.81 3cf5 h VAL 75 Cb 0.38 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 3cf5 h VAL 75 CO -0.43 0.00 -0.05 1.62 0.02 0.00 0.00 177.57 178.73 3cf5 h VAL 76 N -0.44 0.53 -1.00 2.57 3.04 -0.30 0.23 116.25 120.88 3cf5 h VAL 76 Ca 0.02 -0.02 0.14 0.00 -1.01 0.00 0.00 66.70 65.83 3cf5 h VAL 76 Cb 0.44 0.45 -0.09 0.00 -2.01 0.00 0.00 31.29 30.08 3cf5 h VAL 76 CO -0.10 0.01 0.62 0.03 -1.01 0.00 0.00 177.57 177.12 3cf5 h ARG 77 N 0.07 0.88 0.61 4.17 3.08 -0.50 0.38 114.38 123.08 3cf5 h ARG 77 Ca 0.27 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 3cf5 h ARG 77 Cb 0.42 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3cf5 h ARG 77 CO -0.49 0.58 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.47 3cf5 h LYS 78 N 0.91 -0.80 -0.55 0.04 3.64 0.16 0.54 116.57 120.51 3cf5 h LYS 78 Ca 0.52 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 60.05 3cf5 h LYS 78 Cb 0.63 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 3cf5 h LYS 78 CO -0.31 -0.49 0.16 -0.24 -2.27 0.00 0.00 179.45 176.30 3cf5 h VAL 79 N -0.97 0.74 0.73 2.00 3.04 -0.24 0.27 116.25 121.83 3cf5 h VAL 79 Ca -0.08 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 3cf5 h VAL 79 Cb 0.68 0.40 0.01 0.00 -2.01 0.00 0.00 31.29 30.36 3cf5 h VAL 79 CO 0.14 0.06 -0.35 -0.03 -1.01 0.00 0.00 177.57 176.37 3cf5 h MET 80 N 0.32 -0.95 0.00 4.17 4.05 -0.14 0.71 114.93 123.08 3cf5 h MET 80 Ca 0.28 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 3cf5 h MET 80 Cb 0.36 0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 3cf5 h MET 80 CO -0.32 -0.62 -1.93 -0.25 0.23 0.00 0.00 176.91 174.03 3cf5 n ASP 81 N -5.50 0.07 -0.08 1.39 8.00 0.17 -4.16 116.55 116.44 3cf5 n ASP 81 Ca -0.14 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.25 3cf5 n ASP 81 Cb 0.40 1.86 -0.05 0.00 -0.02 0.00 0.00 41.12 43.32 3cf5 n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cf5 n GLU 82 N -2.30 0.45 0.04 -1.24 1.02 0.83 -4.63 120.64 114.81 3cf5 n GLU 82 Ca -0.04 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 3cf5 n GLU 82 Cb 0.58 -1.27 -0.13 0.00 -0.02 0.00 0.00 31.44 30.60 3cf5 n GLU 82 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3cf5 h VAL 83 N -0.80 1.34 0.29 2.62 3.04 -1.26 -3.31 116.25 118.17 3cf5 h VAL 83 Ca -0.23 -3.07 -0.01 0.00 -1.01 0.00 0.00 66.70 62.37 3cf5 h VAL 83 Cb 1.08 2.71 0.00 0.00 -2.01 0.00 0.00 31.29 33.08 3cf5 h VAL 83 CO -0.14 0.80 -0.14 0.00 -1.01 0.00 0.00 177.57 177.08 3cf5 h ALA 84 N 0.87 -0.39 -1.04 3.17 0.00 0.25 -3.18 119.26 118.94 3cf5 h ALA 84 Ca -0.14 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 54.87 3cf5 h ALA 84 Cb 1.90 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.79 3cf5 h ALA 84 CO 0.13 -0.55 0.73 -1.35 0.00 0.00 0.00 179.25 178.21 3cf5 h PRO 85 N -0.74 0.10 -0.11 0.00 0.11 -1.73 -0.98 132.00 128.66 3cf5 h PRO 85 Ca -0.04 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.89 3cf5 h PRO 85 Cb 0.49 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.59 3cf5 h PRO 85 CO 0.07 0.07 -0.60 0.87 -0.21 0.00 0.00 178.00 178.20 3cf5 h LYS 86 N 0.11 0.59 0.00 1.05 1.57 -1.64 -2.94 116.57 115.32 3cf5 h LYS 86 Ca 0.52 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3cf5 h LYS 86 Cb 1.84 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.26 3cf5 h LYS 86 CO -0.08 1.12 0.00 0.66 -0.57 0.00 0.00 179.45 180.58 3cf5 n TYR 87 N -4.14 0.00 -0.27 -1.35 4.01 -0.38 -4.00 117.16 111.02 3cf5 n TYR 87 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.61 3cf5 n TYR 87 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 3cf5 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cf5 n ALA 88 N -0.92 -0.29 1.12 -0.72 0.00 -1.11 -0.57 120.51 118.01 3cf5 n ALA 88 Ca 0.10 0.60 0.12 0.00 0.00 0.00 0.00 53.44 54.26 3cf5 n ALA 88 Cb 0.04 -0.17 0.62 0.00 0.00 0.00 0.00 19.45 19.94 3cf5 n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cf5 n GLU 89 N -4.88 0.27 -4.58 0.00 1.02 -1.26 -4.80 120.64 106.41 3cf5 n GLU 89 Ca 0.03 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 3cf5 n GLU 89 Cb 0.21 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.01 3cf5 n GLU 89 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3cf5 s ARG 90 N -2.69 3.08 0.00 3.49 1.70 0.27 -4.95 118.95 119.85 3cf5 s ARG 90 Ca 0.21 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.91 3cf5 s ARG 90 Cb 0.17 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.87 3cf5 s ARG 90 CO 0.41 0.49 0.00 -2.30 -1.08 0.00 0.00 175.30 172.82 3cf5 n PRO 91 N 2.75 0.00 -1.23 3.89 -0.02 -1.26 -4.74 135.00 134.39 3cf5 n PRO 91 Ca -0.18 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.31 3cf5 n PRO 91 Cb 0.53 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.96 3cf5 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf5 n GLY 92 N 1.33 -1.79 0.00 -1.23 0.00 -1.26 -4.94 105.19 97.30 3cf5 n GLY 92 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3cf5 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 93 N -2.49 1.19 3.03 -0.02 0.00 -1.26 -5.10 105.19 100.53 3cf5 n GLY 93 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3cf5 n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cf5 s TYR 94 N -1.60 2.31 0.00 1.61 5.04 -1.26 -4.97 117.35 118.49 3cf5 s TYR 94 Ca 0.00 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.26 3cf5 s TYR 94 Cb 0.00 -1.65 0.00 0.00 0.35 0.00 0.00 41.96 40.66 3cf5 s TYR 94 CO 0.00 -0.71 0.00 -2.37 -1.34 0.00 0.00 175.55 171.13 3cf5 n THR 95 N 4.73 0.00 -4.38 4.34 5.66 -1.23 -4.90 114.28 118.51 3cf5 n THR 95 Ca -0.17 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.58 3cf5 n THR 95 Cb 0.49 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 3cf5 n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3cf5 s ARG 96 N 0.00 1.40 -0.03 1.09 1.70 -0.62 -4.98 118.95 117.51 3cf5 s ARG 96 Ca 0.00 -1.46 0.03 0.00 -0.47 0.00 0.00 55.73 53.83 3cf5 s ARG 96 Cb 0.00 -1.62 -0.03 0.00 -0.57 0.00 0.00 34.95 32.73 3cf5 s ARG 96 CO 0.00 0.35 -0.11 0.42 -1.08 0.00 0.00 175.30 174.88 3cf5 s ILE 97 N -1.78 3.37 -0.08 4.99 1.01 -1.26 -1.09 121.20 126.37 3cf5 s ILE 97 Ca 0.18 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 3cf5 s ILE 97 Cb -0.07 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3cf5 s ILE 97 CO 0.08 0.52 -0.04 -0.76 0.00 0.00 0.00 174.94 174.75 3cf5 s LEU 98 N -0.99 0.98 0.43 2.97 1.02 0.61 -4.93 118.68 118.77 3cf5 s LEU 98 Ca 0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 54.13 54.03 3cf5 s LEU 98 Cb -0.11 -0.57 -0.06 0.00 0.02 0.00 0.00 46.19 45.47 3cf5 s LEU 98 CO 0.03 -0.13 0.78 0.00 0.02 0.00 0.00 176.35 177.05 3cf5 s ARG 99 N 1.58 3.71 0.00 1.70 1.70 -1.26 0.32 118.95 126.70 3cf5 s ARG 99 Ca 0.00 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 3cf5 s ARG 99 Cb -0.13 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.87 3cf5 s ARG 99 CO -0.04 -0.09 0.00 0.28 -1.08 0.00 0.00 175.30 174.36 3cf5 n VAL 100 N -1.58 0.00 -2.05 4.99 0.31 -0.74 -4.83 118.33 114.44 3cf5 n VAL 100 Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.07 3cf5 n VAL 100 Cb 0.54 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.62 3cf5 n VAL 100 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cf5 s GLY 101 N 0.00 1.74 0.51 2.92 0.00 -1.26 -4.76 107.32 106.47 3cf5 s GLY 101 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.49 3cf5 s GLY 101 CO 0.00 -0.51 0.81 -0.51 0.00 0.00 0.00 173.10 172.89 3cf5 s THR 102 N -3.67 4.60 0.35 0.90 -4.23 -1.26 -2.21 115.64 110.11 3cf5 s THR 102 Ca 0.70 0.15 0.07 0.00 -1.18 0.00 0.00 61.69 61.42 3cf5 s THR 102 Cb -0.06 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3cf5 s THR 102 CO 0.50 -0.75 0.44 -0.60 -0.54 0.00 0.00 174.62 173.67 3cf5 s ARG 103 N -4.80 2.99 -0.11 3.99 3.52 -0.86 -4.83 118.95 118.85 3cf5 s ARG 103 Ca 0.49 -1.11 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 3cf5 s ARG 103 Cb -0.10 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 3cf5 s ARG 103 CO 0.45 0.02 -0.12 -0.09 -0.81 0.00 0.00 175.30 174.76 3cf5 h ARG 104 N 0.94 0.00 -0.92 5.12 2.43 -1.93 -2.72 114.38 117.30 3cf5 h ARG 104 Ca -0.45 0.00 0.27 0.00 -0.81 0.00 0.00 59.98 58.99 3cf5 h ARG 104 Cb 1.26 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.64 3cf5 h ARG 104 CO 0.53 0.00 0.07 0.41 -1.51 0.00 0.00 179.97 179.47 3cf5 n GLY 105 N 1.68 -1.19 0.00 2.80 0.00 -1.26 -2.99 105.19 104.22 3cf5 n GLY 105 Ca -0.05 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3cf5 n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf5 n ASP 106 N -5.33 0.79 -0.00 1.61 5.68 -1.26 -5.00 116.55 113.04 3cf5 n ASP 106 Ca 0.23 -0.30 -0.00 0.00 -0.50 0.00 0.00 54.79 54.22 3cf5 n ASP 106 Cb 0.76 0.76 -0.00 0.00 -1.14 0.00 0.00 41.12 41.50 3cf5 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cf5 n GLY 107 N 1.00 0.48 3.70 6.12 0.00 -1.02 -4.99 105.19 110.47 3cf5 n GLY 107 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3cf5 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf5 s VAL 108 N -1.97 4.83 -0.46 1.61 1.01 -1.26 -4.30 120.40 119.86 3cf5 s VAL 108 Ca 0.00 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 63.71 3cf5 s VAL 108 Cb 0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3cf5 s VAL 108 CO 0.00 0.07 1.73 0.28 0.00 0.00 0.00 175.10 177.18 3cf5 s THR 109 N 1.61 3.52 0.91 3.92 -1.32 -1.26 -2.04 115.64 120.98 3cf5 s THR 109 Ca 0.49 0.47 -0.12 0.00 -1.21 0.00 0.00 61.69 61.31 3cf5 s THR 109 Cb -0.19 -3.89 0.14 0.00 -1.51 0.00 0.00 72.50 67.04 3cf5 s THR 109 CO 0.21 -0.70 1.12 -0.04 -2.21 0.00 0.00 174.62 173.01 3cf5 s MET 110 N 6.02 1.13 0.22 7.08 -1.94 -0.94 -2.66 119.30 128.20 3cf5 s MET 110 Ca 0.70 0.42 -0.14 0.00 -1.71 0.00 0.00 55.69 54.96 3cf5 s MET 110 Cb -0.17 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 34.85 3cf5 s MET 110 CO 0.28 -2.23 0.48 0.00 -0.01 0.00 0.00 175.02 173.54 3cf5 s ALA 111 N -3.17 -0.53 -0.12 3.03 0.00 0.25 -1.79 121.76 119.43 3cf5 s ALA 111 Ca 0.64 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3cf5 s ALA 111 Cb -0.16 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 3cf5 s ALA 111 CO 0.55 -0.81 -0.08 -0.51 0.00 0.00 0.00 175.76 174.90 3cf5 s LEU 112 N -2.95 3.03 -0.18 0.00 1.43 0.97 -0.30 118.68 120.68 3cf5 s LEU 112 Ca 0.16 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3cf5 s LEU 112 Cb -0.00 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3cf5 s LEU 112 CO 0.03 0.22 -0.09 -0.51 0.23 0.00 0.00 176.35 176.23 3cf5 s ILE 113 N 0.03 1.47 0.08 -0.59 2.07 -0.97 0.22 121.20 123.51 3cf5 s ILE 113 Ca -0.02 -0.85 0.07 0.00 -1.41 0.00 0.00 60.65 58.44 3cf5 s ILE 113 Cb -0.14 -1.56 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 3cf5 s ILE 113 CO 0.03 0.19 -0.18 -1.83 -1.91 0.00 0.00 174.94 171.25 3cf5 s GLU 114 N 1.48 1.02 0.00 3.50 -1.05 -0.25 -2.19 118.70 121.21 3cf5 s GLU 114 Ca 0.00 -1.01 0.05 0.00 -0.15 0.00 0.00 54.97 53.86 3cf5 s GLU 114 Cb -0.16 -1.14 0.28 0.00 -0.44 0.00 0.00 34.13 32.67 3cf5 s GLU 114 CO -0.08 0.27 0.75 1.28 0.95 0.00 0.00 175.26 178.42