#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n ARG 3 N 0.00 0.00 -3.27 0.54 0.63 -1.26 -4.94 116.66 108.37 3cf5 n ARG 3 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3cf5 n ARG 3 Cb 0.00 -0.43 -0.08 0.00 0.45 0.00 0.00 32.46 32.40 3cf5 n ARG 3 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cf5 n ALA 4 N 0.22 2.60 -0.98 5.13 0.00 -1.26 -5.13 120.51 121.09 3cf5 n ALA 4 Ca 0.07 -3.30 -0.38 0.00 0.00 0.00 0.00 53.44 49.83 3cf5 n ALA 4 Cb 0.07 -0.79 0.04 0.00 0.00 0.00 0.00 19.45 18.77 3cf5 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cf5 n LYS 5 N 1.94 -0.08 -0.06 0.00 5.02 -1.26 -4.89 118.16 118.82 3cf5 n LYS 5 Ca 0.24 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3cf5 n LYS 5 Cb 0.51 -1.04 0.14 0.00 -0.02 0.00 0.00 35.03 34.62 3cf5 n LYS 5 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3cf5 n THR 6 N -3.44 0.16 -0.96 -0.18 -2.24 -1.26 -5.01 114.28 101.36 3cf5 n THR 6 Ca -0.02 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 3cf5 n THR 6 Cb 0.73 1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 70.27 3cf5 n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cf5 n GLY 7 N 1.40 -1.13 4.40 3.38 0.00 -1.26 -2.17 105.19 109.82 3cf5 n GLY 7 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3cf5 n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cf5 n ILE 8 N 0.07 0.00 -0.17 -0.61 -5.35 -1.26 -4.52 119.36 107.52 3cf5 n ILE 8 Ca 0.12 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.50 3cf5 n ILE 8 Cb 0.16 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 3cf5 n ILE 8 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3cf5 h VAL 9 N 0.00 1.27 -0.03 7.28 2.07 -1.83 -2.58 116.25 122.43 3cf5 h VAL 9 Ca 0.00 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 3cf5 h VAL 9 Cb 0.00 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3cf5 h VAL 9 CO 0.00 0.45 -0.51 -0.09 0.02 0.00 0.00 177.57 177.44 3cf5 h ARG 10 N 0.85 0.39 -0.14 1.57 2.43 -1.78 -1.97 114.38 115.73 3cf5 h ARG 10 Ca 0.13 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3cf5 h ARG 10 Cb 0.71 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 3cf5 h ARG 10 CO 0.05 1.05 -0.49 -0.09 -1.51 0.00 0.00 179.97 178.98 3cf5 h ARG 11 N -0.12 -0.53 0.00 0.20 2.43 -1.85 0.71 114.38 115.23 3cf5 h ARG 11 Ca -0.06 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cf5 h ARG 11 Cb 1.21 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3cf5 h ARG 11 CO 0.10 -0.35 0.00 0.54 -1.51 0.00 0.00 179.97 178.75 3cf5 n ARG 12 N -5.44 0.00 0.00 0.20 1.74 -0.97 0.10 116.66 112.28 3cf5 n ARG 12 Ca -0.05 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3cf5 n ARG 12 Cb 0.37 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3cf5 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3cf5 n ARG 13 N -1.56 0.00 0.34 5.56 0.63 -0.74 0.17 116.66 121.06 3cf5 n ARG 13 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 3cf5 n ARG 13 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 3cf5 n ARG 13 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3cf5 h HIS 14 N 0.00 -0.84 -1.40 -0.14 3.86 0.12 -2.97 115.15 113.79 3cf5 h HIS 14 Ca 0.00 -0.02 0.45 0.00 -1.16 0.00 0.00 60.37 59.64 3cf5 h HIS 14 Cb 0.00 0.28 -0.12 0.00 1.06 0.00 0.00 27.41 28.63 3cf5 h HIS 14 CO 0.00 -0.52 0.92 0.87 0.86 0.00 0.00 177.93 180.06 3cf5 h LYS 15 N -1.22 0.06 0.12 2.45 1.57 0.58 0.34 116.57 120.47 3cf5 h LYS 15 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3cf5 h LYS 15 Cb 0.70 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3cf5 h LYS 15 CO 0.15 0.04 -0.22 0.87 -0.57 0.00 0.00 179.45 179.72 3cf5 h LYS 16 N 0.07 -0.35 -0.25 3.15 1.57 -0.87 -0.87 116.57 119.01 3cf5 h LYS 16 Ca 0.83 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.69 3cf5 h LYS 16 Cb 2.73 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 35.07 3cf5 h LYS 16 CO -0.36 -0.23 -0.07 0.28 -0.57 0.00 0.00 179.45 178.49 3cf5 h VAL 17 N -0.36 0.73 -0.29 0.50 2.07 -0.38 -2.58 116.25 115.93 3cf5 h VAL 17 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3cf5 h VAL 17 Cb 0.34 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3cf5 h VAL 17 CO -0.08 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.04 3cf5 h LEU 18 N -0.01 -1.34 -1.34 2.57 -0.00 -1.14 0.42 115.31 114.47 3cf5 h LEU 18 Ca 0.12 0.17 0.08 0.00 -0.00 0.00 0.00 57.88 58.26 3cf5 h LEU 18 Cb 0.20 0.55 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 3cf5 h LEU 18 CO -0.27 -0.29 0.69 0.50 -0.00 0.00 0.00 178.44 179.07 3cf5 h LYS 19 N -0.29 0.00 -0.07 1.13 3.64 -0.77 0.93 116.57 121.15 3cf5 h LYS 19 Ca 0.05 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 3cf5 h LYS 19 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3cf5 h LYS 19 CO -0.43 0.00 -0.59 0.00 -2.27 0.00 0.00 179.45 176.16 3cf5 h ARG 20 N 0.00 0.22 -6.73 1.90 3.08 0.07 -3.41 114.38 109.51 3cf5 h ARG 20 Ca 0.14 -0.15 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 3cf5 h ARG 20 Cb 1.51 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 3cf5 h ARG 20 CO -0.00 0.75 0.43 0.00 -1.07 0.00 0.00 179.97 180.07 3cf5 s ALA 21 N -3.77 3.36 0.00 0.04 0.00 0.32 -4.92 121.76 116.79 3cf5 s ALA 21 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3cf5 s ALA 21 Cb 0.12 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3cf5 s ALA 21 CO 0.79 -0.05 0.00 0.36 0.00 0.00 0.00 175.76 176.87 3cf5 n LYS 22 N 1.76 0.00 0.00 0.00 2.85 -1.26 -4.82 118.16 116.68 3cf5 n LYS 22 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf5 n LYS 22 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 3cf5 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cf5 n GLY 23 N 0.58 1.37 3.56 2.58 0.00 -1.26 -4.71 105.19 107.31 3cf5 n GLY 23 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cf5 n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cf5 s PHE 24 N -0.60 2.11 0.49 1.61 0.08 -1.26 -4.94 117.98 115.47 3cf5 s PHE 24 Ca 0.00 0.40 -0.19 0.00 0.12 0.00 0.00 56.93 57.27 3cf5 s PHE 24 Cb 0.00 -4.38 -0.14 0.00 -0.57 0.00 0.00 43.02 37.93 3cf5 s PHE 24 CO 0.00 -2.12 0.02 1.87 -0.10 0.00 0.00 175.22 174.89 3cf5 n TRP 25 N 10.36 -2.40 -1.17 0.36 -0.00 -1.26 -3.19 117.44 120.14 3cf5 n TRP 25 Ca 0.12 0.48 0.00 0.00 -0.00 0.00 0.00 57.50 58.10 3cf5 n TRP 25 Cb 0.50 -1.75 0.00 0.00 -0.00 0.00 0.00 31.31 30.06 3cf5 n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3cf5 n GLY 26 N 2.36 0.71 0.02 5.87 0.00 -1.26 -1.56 105.19 111.33 3cf5 n GLY 26 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3cf5 n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cf5 n SER 27 N -3.77 0.06 -0.17 1.61 3.41 -1.26 -2.42 113.62 111.08 3cf5 n SER 27 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3cf5 n SER 27 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3cf5 n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cf5 n ARG 28 N -1.51 0.25 -0.08 4.33 1.74 -0.60 0.08 116.66 120.87 3cf5 n ARG 28 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 28 Cb 0.09 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3cf5 n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3cf5 n SER 29 N -0.21 0.00 0.00 0.55 3.41 -1.02 -4.42 113.62 111.94 3cf5 n SER 29 Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 3cf5 n SER 29 Cb 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3cf5 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cf5 n LYS 30 N 0.00 3.64 -4.00 4.33 4.76 0.11 -4.86 118.16 122.14 3cf5 n LYS 30 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3cf5 n LYS 30 Cb 0.51 -0.67 -0.14 0.00 -1.84 0.00 0.00 35.03 32.88 3cf5 n LYS 30 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3cf5 s GLN 31 N -0.75 2.31 0.01 1.97 -0.21 -0.13 -5.03 119.66 117.83 3cf5 s GLN 31 Ca 0.00 -1.33 -0.02 0.00 0.02 0.00 0.00 55.36 54.03 3cf5 s GLN 31 Cb 0.00 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.98 3cf5 s GLN 31 CO 0.00 -0.60 0.41 0.98 -2.12 0.00 0.00 175.29 173.96 3cf5 n TYR 32 N 4.51 -0.03 -0.15 0.91 9.36 -1.26 -0.64 117.16 129.86 3cf5 n TYR 32 Ca -0.13 0.10 -0.10 0.00 3.32 0.00 0.00 57.90 61.08 3cf5 n TYR 32 Cb 0.43 -0.26 -0.05 0.00 -0.63 0.00 0.00 39.34 38.83 3cf5 n TYR 32 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cf5 h ARG 33 N 0.00 -0.30 0.54 2.98 2.47 -1.96 -0.02 114.38 118.09 3cf5 h ARG 33 Ca 0.01 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3cf5 h ARG 33 Cb 0.03 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3cf5 h ARG 33 CO -0.07 -0.20 -0.26 -0.97 0.56 0.00 0.00 179.97 179.02 3cf5 h ASN 34 N -0.32 -0.62 -0.48 7.04 -1.24 -1.18 -0.71 115.58 118.08 3cf5 h ASN 34 Ca 0.14 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.15 3cf5 h ASN 34 Cb 0.58 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.73 3cf5 h ASN 34 CO -0.61 -0.31 -0.33 0.00 -1.29 0.00 0.00 177.43 174.89 3cf5 h ALA 35 N -0.59 -0.38 -0.71 1.57 0.00 -1.13 0.85 119.26 118.86 3cf5 h ALA 35 Ca -0.07 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3cf5 h ALA 35 Cb 0.63 1.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.43 3cf5 h ALA 35 CO 0.12 -0.60 -0.26 0.35 0.00 0.00 0.00 179.25 178.86 3cf5 h PHE 36 N -0.06 -0.67 -0.54 0.00 3.04 -0.93 0.42 116.94 118.20 3cf5 h PHE 36 Ca 0.08 0.07 0.07 0.00 3.98 0.00 0.00 57.97 62.17 3cf5 h PHE 36 Cb 0.26 0.40 -0.06 0.00 2.56 0.00 0.00 35.95 39.12 3cf5 h PHE 36 CO -0.90 -0.35 0.23 0.37 -2.02 0.00 0.00 178.31 175.63 3cf5 h GLN 37 N -0.07 0.43 -0.40 1.11 4.15 0.63 0.52 115.11 121.48 3cf5 h GLN 37 Ca 0.31 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.82 3cf5 h GLN 37 Cb 0.55 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 3cf5 h GLN 37 CO -0.75 0.28 0.29 1.15 -1.93 0.00 0.00 178.83 177.87 3cf5 h THR 38 N 0.44 0.77 0.00 2.39 2.02 0.48 -1.39 112.91 117.63 3cf5 h THR 38 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3cf5 h THR 38 Cb 0.24 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3cf5 h THR 38 CO -0.22 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.85 3cf5 n LEU 39 N -4.38 0.15 -0.13 2.58 4.77 0.18 -1.85 117.00 118.33 3cf5 n LEU 39 Ca 0.07 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 3cf5 n LEU 39 Cb 0.49 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 3cf5 n LEU 39 CO 0.36 0.04 -1.35 0.18 -1.33 0.00 0.00 177.39 175.28 3cf5 n LEU 40 N -0.39 2.76 0.14 2.23 4.77 -0.52 -3.73 117.00 122.26 3cf5 n LEU 40 Ca 0.00 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 3cf5 n LEU 40 Cb 0.04 -0.90 0.19 0.00 -2.33 0.00 0.00 43.42 40.42 3cf5 n LEU 40 CO 0.00 0.86 0.52 0.78 -1.33 0.00 0.00 177.39 178.22 3cf5 h ASN 41 N -0.21 0.02 -0.20 -1.43 2.35 -1.68 0.97 115.58 115.40 3cf5 h ASN 41 Ca -0.60 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.19 3cf5 h ASN 41 Cb 1.84 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 40.20 3cf5 h ASN 41 CO -0.16 0.61 0.16 0.00 -1.65 0.00 0.00 177.43 176.40 3cf5 h ALA 42 N 1.39 2.03 0.42 -0.83 0.00 -1.51 -2.31 119.26 118.45 3cf5 h ALA 42 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cf5 h ALA 42 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3cf5 h ALA 42 CO 0.08 -0.27 -0.20 0.00 0.00 0.00 0.00 179.25 178.86 3cf5 h ALA 43 N 1.86 -0.56 -0.90 0.00 0.00 -0.89 -2.43 119.26 116.34 3cf5 h ALA 43 Ca 0.09 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.12 3cf5 h ALA 43 Cb 0.42 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.26 3cf5 h ALA 43 CO -0.00 -0.54 0.06 2.41 0.00 0.00 0.00 179.25 181.19 3cf5 n THR 44 N -5.15 -0.38 0.05 0.00 -1.04 -0.90 -1.04 114.28 105.81 3cf5 n THR 44 Ca -0.08 1.96 -0.02 0.00 -2.04 0.00 0.00 64.05 63.87 3cf5 n THR 44 Cb 0.24 -2.89 -0.01 0.00 -1.82 0.00 0.00 70.33 65.85 3cf5 n THR 44 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3cf5 h TYR 45 N 0.00 -0.13 0.00 -1.42 0.05 -1.55 -2.90 116.97 111.02 3cf5 h TYR 45 Ca 0.56 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.34 3cf5 h TYR 45 Cb 1.21 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.99 3cf5 h TYR 45 CO -0.41 -0.08 0.00 0.39 -1.05 0.00 0.00 178.16 177.00 3cf5 n GLU 46 N -2.88 0.00 0.35 4.88 1.02 -0.21 -0.54 120.64 123.26 3cf5 n GLU 46 Ca -0.02 0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 3cf5 n GLU 46 Cb 0.06 -0.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.91 3cf5 n GLU 46 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3cf5 h TYR 47 N 0.00 -1.34 0.00 -0.32 -0.00 -1.53 -2.50 116.97 111.28 3cf5 h TYR 47 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3cf5 h TYR 47 Cb 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 36.73 37.23 3cf5 h TYR 47 CO -0.27 -0.69 0.00 0.54 -0.00 0.00 0.00 178.16 177.74 3cf5 n ARG 48 N -5.49 0.05 -0.02 1.82 1.74 -0.59 -2.39 116.66 111.77 3cf5 n ARG 48 Ca -0.13 0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 3cf5 n ARG 48 Cb 0.47 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 3cf5 n ARG 48 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3cf5 n ASP 49 N -1.26 0.76 0.25 0.55 9.92 0.29 -3.18 116.55 123.88 3cf5 n ASP 49 Ca 0.01 0.36 -0.11 0.00 -0.53 0.00 0.00 54.79 54.53 3cf5 n ASP 49 Cb 0.02 0.10 -0.05 0.00 -0.64 0.00 0.00 41.12 40.55 3cf5 n ASP 49 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3cf5 h ARG 50 N 0.00 -0.67 0.00 -1.24 3.08 -1.49 1.17 114.38 115.24 3cf5 h ARG 50 Ca -0.30 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3cf5 h ARG 50 Cb 1.98 0.15 0.00 0.00 0.08 0.00 0.00 29.97 32.18 3cf5 h ARG 50 CO 0.07 -0.43 0.23 0.54 -1.07 0.00 0.00 179.97 179.31 3cf5 n ARG 51 N -5.23 0.00 -0.06 0.04 5.12 -1.23 -1.14 116.66 114.16 3cf5 n ARG 51 Ca -0.09 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 3cf5 n ARG 51 Cb 0.28 -1.73 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 3cf5 n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3cf5 n ASN 52 N -1.00 1.38 0.33 0.55 5.15 -0.58 -4.53 115.26 116.55 3cf5 n ASN 52 Ca 0.00 0.10 0.15 0.00 -0.60 0.00 0.00 54.58 54.23 3cf5 n ASN 52 Cb 0.23 -0.32 0.77 0.00 -0.53 0.00 0.00 39.78 39.94 3cf5 n ASN 52 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 3cf5 h LYS 53 N -0.34 0.00 0.57 1.20 2.10 0.29 0.79 116.57 121.17 3cf5 h LYS 53 Ca -0.30 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.32 3cf5 h LYS 53 Cb 1.30 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3cf5 h LYS 53 CO -0.16 0.00 -0.27 0.87 -2.00 0.00 0.00 179.45 177.89 3cf5 h LYS 54 N 0.00 -0.73 -0.21 0.07 1.57 -1.76 -2.05 116.57 113.46 3cf5 h LYS 54 Ca 0.01 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3cf5 h LYS 54 Cb 0.75 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3cf5 h LYS 54 CO -0.00 -0.49 -0.15 0.00 -0.57 0.00 0.00 179.45 178.24 3cf5 h ARG 55 N -0.78 -0.03 -0.93 3.15 3.08 0.34 -2.91 114.38 116.30 3cf5 h ARG 55 Ca -0.08 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.15 3cf5 h ARG 55 Cb 0.58 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.47 3cf5 h ARG 55 CO 0.13 -0.02 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.30 3cf5 h ASP 56 N -0.03 -0.98 0.37 7.04 3.45 -1.38 -2.66 116.42 122.24 3cf5 h ASP 56 Ca 0.03 0.28 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 3cf5 h ASP 56 Cb 0.12 0.61 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 3cf5 h ASP 56 CO -0.21 -0.31 -0.18 -0.26 -1.57 0.00 0.00 179.24 176.71 3cf5 h PHE 57 N -0.01 -0.47 -1.17 4.55 -1.00 -1.17 -2.70 116.94 114.99 3cf5 h PHE 57 Ca 0.42 -0.01 0.38 0.00 2.81 0.00 0.00 57.97 61.57 3cf5 h PHE 57 Cb 0.66 0.15 -0.13 0.00 3.61 0.00 0.00 35.95 40.25 3cf5 h PHE 57 CO -0.75 -0.23 0.72 0.00 -1.61 0.00 0.00 178.31 176.44 3cf5 h ARG 58 N -0.60 0.17 0.05 1.51 3.08 -1.39 1.17 114.38 118.37 3cf5 h ARG 58 Ca -0.05 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cf5 h ARG 58 Cb 0.44 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3cf5 h ARG 58 CO 0.08 0.11 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.78 3cf5 h ARG 59 N 0.18 -0.37 0.35 0.04 2.43 -1.39 0.44 114.38 116.06 3cf5 h ARG 59 Ca 0.77 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.96 3cf5 h ARG 59 Cb 2.17 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.77 3cf5 h ARG 59 CO -0.48 -0.25 -0.50 1.25 -1.51 0.00 0.00 179.97 178.47 3cf5 h LEU 60 N -0.39 -1.44 -0.95 3.80 7.12 0.14 -0.86 115.31 122.74 3cf5 h LEU 60 Ca 0.05 0.13 0.11 0.00 0.13 0.00 0.00 57.88 58.30 3cf5 h LEU 60 Cb 0.44 0.50 -0.13 0.00 -0.53 0.00 0.00 40.66 40.94 3cf5 h LEU 60 CO -0.17 -0.61 -0.50 -0.50 -0.13 0.00 0.00 178.44 176.53 3cf5 h TRP 61 N -0.89 -1.53 0.43 1.25 4.06 -0.70 -1.94 115.95 116.63 3cf5 h TRP 61 Ca -0.04 0.12 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 3cf5 h TRP 61 Cb 0.81 0.80 -0.02 0.00 -1.00 0.00 0.00 29.16 29.75 3cf5 h TRP 61 CO -0.33 -0.39 -0.37 0.82 -3.56 0.00 0.00 178.44 174.61 3cf5 h ILE 62 N -0.03 0.25 -0.68 1.49 2.04 0.33 -2.28 117.51 118.64 3cf5 h ILE 62 Ca 0.23 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.24 3cf5 h ILE 62 Cb 0.50 0.25 -0.12 0.00 -0.74 0.00 0.00 36.82 36.71 3cf5 h ILE 62 CO -0.93 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 178.74 3cf5 h GLN 63 N -0.80 0.08 0.41 2.37 4.20 -0.44 -1.18 115.11 119.74 3cf5 h GLN 63 Ca -0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3cf5 h GLN 63 Cb 0.70 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3cf5 h GLN 63 CO -0.03 0.05 -0.20 0.00 -0.67 0.00 0.00 178.83 177.99 3cf5 h ARG 64 N 0.08 -0.53 -1.69 1.46 3.08 -1.32 -2.34 114.38 113.12 3cf5 h ARG 64 Ca 0.36 0.04 0.49 0.00 0.07 0.00 0.00 59.98 60.93 3cf5 h ARG 64 Cb 0.59 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 3cf5 h ARG 64 CO -0.62 -0.28 1.34 -0.89 -1.07 0.00 0.00 179.97 178.45 3cf5 n ILE 65 N -5.27 0.00 0.26 2.04 5.41 -0.46 0.44 119.36 121.78 3cf5 n ILE 65 Ca -0.11 1.39 0.03 0.00 1.00 0.00 0.00 62.75 65.06 3cf5 n ILE 65 Cb 0.26 -2.36 -0.00 0.00 -0.71 0.00 0.00 39.64 36.83 3cf5 n ILE 65 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3cf5 n ASN 66 N -3.68 0.87 0.00 4.38 6.94 -1.14 -2.59 115.26 120.04 3cf5 n ASN 66 Ca 0.38 -0.93 0.13 0.00 -0.02 0.00 0.00 54.58 54.13 3cf5 n ASN 66 Cb 1.85 0.52 0.75 0.00 -2.36 0.00 0.00 39.78 40.54 3cf5 n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cf5 n ALA 67 N -0.42 2.61 -0.02 -2.53 0.00 0.17 -0.27 120.51 120.05 3cf5 n ALA 67 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3cf5 n ALA 67 Cb 0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 3cf5 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 68 N 0.83 -0.05 0.38 0.00 0.00 -1.04 -3.90 105.19 101.41 3cf5 n GLY 68 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3cf5 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 h ALA 69 N -0.02 -0.63 0.00 4.61 0.00 -1.23 0.26 119.26 122.26 3cf5 h ALA 69 Ca -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3cf5 h ALA 69 Cb 1.11 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3cf5 h ALA 69 CO -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 179.25 178.28 3cf5 h ARG 70 N -0.58 0.00 0.00 0.00 3.08 -0.67 0.22 114.38 116.43 3cf5 h ARG 70 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3cf5 h ARG 70 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3cf5 h ARG 70 CO -0.25 0.03 0.00 -0.11 -1.07 0.00 0.00 179.97 178.57 3cf5 n LEU 71 N -3.75 0.00 0.01 3.04 7.94 0.91 -3.24 117.00 121.92 3cf5 n LEU 71 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3cf5 n LEU 71 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3cf5 n LEU 71 CO 0.28 0.00 -0.21 1.41 -1.11 0.00 0.00 177.39 177.76 3cf5 n HIS 72 N -0.72 -0.18 0.00 1.96 8.25 -0.45 -5.01 115.22 119.06 3cf5 n HIS 72 Ca 0.05 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3cf5 n HIS 72 Cb 0.02 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3cf5 n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cf5 n GLY 73 N 2.25 0.00 0.00 -1.41 0.00 -0.90 -5.15 105.19 99.98 3cf5 n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cf5 n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf5 n MET 74 N 0.00 3.45 0.00 1.61 2.81 -0.06 -4.91 117.12 120.02 3cf5 n MET 74 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3cf5 n MET 74 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3cf5 n MET 74 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3cf5 n ASN 75 N 0.00 0.00 0.00 7.83 6.94 -1.26 -3.48 115.26 125.29 3cf5 n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3cf5 n ASN 75 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3cf5 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cf5 n TYR 76 N 0.00 0.00 0.00 -2.53 9.36 -1.26 0.52 117.16 123.25 3cf5 n TYR 76 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3cf5 n TYR 76 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3cf5 n TYR 76 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3cf5 n SER 77 N -0.41 0.00 0.00 2.98 2.88 -1.26 -0.05 113.62 117.76 3cf5 n SER 77 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 3cf5 n SER 77 Cb 0.00 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 3cf5 n SER 77 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3cf5 n THR 78 N -1.58 0.00 -0.13 2.46 -1.04 0.19 -2.16 114.28 112.02 3cf5 n THR 78 Ca 0.00 1.11 -0.02 0.00 -2.04 0.00 0.00 64.05 63.10 3cf5 n THR 78 Cb 0.00 -1.80 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 3cf5 n THR 78 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3cf5 n PHE 79 N -1.19 -0.08 -0.35 -1.42 7.35 -0.64 0.16 117.46 121.30 3cf5 n PHE 79 Ca 0.00 0.39 -0.00 0.00 -0.76 0.00 0.00 57.45 57.08 3cf5 n PHE 79 Cb 0.00 -0.56 0.16 0.00 0.35 0.00 0.00 39.48 39.42 3cf5 n PHE 79 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3cf5 h ILE 80 N 0.00 1.19 -0.20 -2.13 1.08 -0.37 -2.44 117.51 114.64 3cf5 h ILE 80 Ca 0.07 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 3cf5 h ILE 80 Cb 0.15 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.70 3cf5 h ILE 80 CO -0.30 0.23 -0.06 -1.13 -0.69 0.00 0.00 178.15 176.20 3cf5 h ASN 81 N 1.25 -0.22 0.12 1.72 -1.24 0.20 -2.12 115.58 115.29 3cf5 h ASN 81 Ca 0.37 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.46 3cf5 h ASN 81 Cb -0.05 0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 3cf5 h ASN 81 CO -0.10 -0.08 -0.40 1.23 -1.29 0.00 0.00 177.43 176.79 3cf5 h GLY 82 N -0.02 -1.18 -0.24 1.57 0.00 -1.16 0.79 103.07 102.84 3cf5 h GLY 82 Ca 0.10 0.61 0.29 0.00 0.00 0.00 0.00 47.33 48.33 3cf5 h GLY 82 CO -0.22 -0.32 0.84 1.41 0.00 0.00 0.00 176.54 178.25 3cf5 h LEU 83 N -0.59 0.00 0.25 3.11 4.07 -1.44 3.13 115.31 123.84 3cf5 h LEU 83 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3cf5 h LEU 83 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3cf5 h LEU 83 CO -0.20 0.00 -0.12 0.50 -1.08 0.00 0.00 178.44 177.54 3cf5 h LYS 84 N 0.00 -0.33 0.00 1.13 3.64 0.10 -2.91 116.57 118.20 3cf5 h LYS 84 Ca 0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3cf5 h LYS 84 Cb 2.15 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.04 3cf5 h LYS 84 CO -0.00 0.03 0.16 0.54 -2.27 0.00 0.00 179.45 177.91 3cf5 n ARG 85 N -5.04 0.00 -3.78 1.90 3.00 1.01 -2.49 116.66 111.26 3cf5 n ARG 85 Ca -0.08 0.27 -0.29 0.00 -0.01 0.00 0.00 57.85 57.73 3cf5 n ARG 85 Cb 0.26 -1.66 -0.13 0.00 0.00 0.00 0.00 32.46 30.93 3cf5 n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3cf5 s ALA 86 N -2.48 2.83 0.56 7.54 0.00 0.63 -4.89 121.76 125.95 3cf5 s ALA 86 Ca 0.00 -3.12 0.46 0.00 0.00 0.00 0.00 51.96 49.31 3cf5 s ALA 86 Cb 0.00 -2.00 1.64 0.00 0.00 0.00 0.00 23.12 22.76 3cf5 s ALA 86 CO 0.00 -2.05 1.57 -0.97 0.00 0.00 0.00 175.76 174.31 3cf5 h ASN 87 N 6.11 0.00 0.00 0.00 -1.24 -1.65 1.10 115.58 119.91 3cf5 h ASN 87 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3cf5 h ASN 87 Cb 0.86 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.91 3cf5 h ASN 87 CO 0.59 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 176.35 3cf5 n ILE 88 N -3.88 0.00 -2.26 2.57 5.41 -1.26 -4.44 119.36 115.49 3cf5 n ILE 88 Ca 0.40 1.34 -0.40 0.00 1.00 0.00 0.00 62.75 65.09 3cf5 n ILE 88 Cb 1.88 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 38.87 3cf5 n ILE 88 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3cf5 s ASP 89 N -2.87 6.91 -0.11 4.38 1.01 0.38 -4.93 116.67 121.44 3cf5 s ASP 89 Ca 0.00 2.50 0.04 0.00 0.71 0.00 0.00 52.55 55.80 3cf5 s ASP 89 Cb 0.00 -2.64 0.13 0.00 1.01 0.00 0.00 42.92 41.42 3cf5 s ASP 89 CO 0.00 -0.42 0.98 -0.11 0.21 0.00 0.00 175.17 175.83 3cf5 n LEU 90 N 0.84 -0.90 0.03 1.23 0.00 -1.26 -4.58 117.00 112.35 3cf5 n LEU 90 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 56.01 54.00 3cf5 n LEU 90 Cb 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 43.42 43.98 3cf5 n LEU 90 CO 0.56 1.38 0.30 0.78 0.00 0.00 0.00 177.39 180.41 3cf5 h ASN 91 N 0.32 -0.07 0.00 1.96 4.21 -1.95 -3.43 115.58 116.62 3cf5 h ASN 91 Ca -0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 3cf5 h ASN 91 Cb 1.20 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3cf5 h ASN 91 CO -0.19 -0.03 0.00 0.54 -1.29 0.00 0.00 177.43 176.46 3cf5 n ARG 92 N -2.31 0.00 -3.08 0.81 5.12 -1.26 -4.58 116.66 111.35 3cf5 n ARG 92 Ca -0.01 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.51 3cf5 n ARG 92 Cb 0.03 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.28 3cf5 n ARG 92 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3cf5 s LYS 93 N 0.00 4.27 0.00 5.56 0.00 -1.26 -3.76 119.74 124.55 3cf5 s LYS 93 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 55.97 56.69 3cf5 s LYS 93 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 37.83 34.28 3cf5 s LYS 93 CO 0.00 -0.18 0.00 0.28 0.00 0.00 0.00 175.35 175.45 3cf5 n VAL 94 N 4.48 0.00 -0.19 1.79 0.31 -1.26 -4.92 118.33 118.54 3cf5 n VAL 94 Ca -0.01 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 3cf5 n VAL 94 Cb 0.50 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.50 3cf5 n VAL 94 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3cf5 n LEU 95 N 0.00 -0.22 -0.07 7.52 7.94 -1.25 0.36 117.00 131.29 3cf5 n LEU 95 Ca 0.00 0.92 -0.10 0.00 -1.11 0.00 0.00 56.01 55.72 3cf5 n LEU 95 Cb 0.00 -0.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 3cf5 n LEU 95 CO 0.00 -0.88 0.60 0.00 -1.11 0.00 0.00 177.39 176.00 3cf5 h ALA 96 N 1.02 -0.43 -0.99 1.96 0.00 -1.84 0.60 119.26 119.58 3cf5 h ALA 96 Ca 0.25 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3cf5 h ALA 96 Cb 0.38 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3cf5 h ALA 96 CO -0.55 -0.85 0.63 0.22 0.00 0.00 0.00 179.25 178.70 3cf5 h ASP 97 N -0.37 0.92 -0.05 0.00 1.82 -0.46 0.95 116.42 119.23 3cf5 h ASP 97 Ca 0.12 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 3cf5 h ASP 97 Cb 0.58 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 3cf5 h ASP 97 CO -0.49 0.51 0.01 0.40 -1.61 0.00 0.00 179.24 178.05 3cf5 h ILE 98 N 1.00 1.06 -0.00 2.25 2.04 -0.38 0.14 117.51 123.62 3cf5 h ILE 98 Ca 0.48 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.93 3cf5 h ILE 98 Cb 0.45 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3cf5 h ILE 98 CO -0.24 0.08 -0.84 0.00 0.00 0.00 0.00 178.15 177.15 3cf5 h ALA 99 N 1.88 0.59 0.33 1.87 0.00 0.25 -2.89 119.26 121.29 3cf5 h ALA 99 Ca 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3cf5 h ALA 99 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cf5 h ALA 99 CO 0.00 0.93 -0.16 0.00 0.00 0.00 0.00 179.25 180.02 3cf5 h ALA 100 N 1.06 -0.60 0.00 0.00 0.00 0.19 -3.43 119.26 116.47 3cf5 h ALA 100 Ca -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3cf5 h ALA 100 Cb 1.45 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3cf5 h ALA 100 CO 0.12 -0.57 -0.49 0.00 0.00 0.00 0.00 179.25 178.32 3cf5 h ARG 101 N -0.80 0.00 -4.13 0.00 3.08 -0.99 -3.44 114.38 108.11 3cf5 h ARG 101 Ca -0.05 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.24 3cf5 h ARG 101 Cb 0.34 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.16 3cf5 h ARG 101 CO 0.08 0.66 0.46 -1.21 -1.07 0.00 0.00 179.97 178.88 3cf5 s GLU 102 N -2.15 3.78 0.21 0.04 8.01 -1.09 -4.83 118.70 122.68 3cf5 s GLU 102 Ca -0.18 -2.49 -0.09 0.00 0.01 0.00 0.00 54.97 52.22 3cf5 s GLU 102 Cb 0.01 -4.63 0.15 0.00 -4.31 0.00 0.00 34.13 25.36 3cf5 s GLU 102 CO 0.46 -1.43 1.81 -1.35 0.01 0.00 0.00 175.26 174.75 3cf5 h PRO 103 N 7.71 1.11 -0.78 0.39 0.11 -1.84 0.12 132.00 138.82 3cf5 h PRO 103 Ca 0.16 -0.16 0.13 0.00 0.11 0.00 0.00 66.00 66.24 3cf5 h PRO 103 Cb 0.98 -0.20 -0.14 0.00 0.11 0.00 0.00 31.00 31.75 3cf5 h PRO 103 CO 0.93 0.85 -0.36 0.93 -0.21 0.00 0.00 178.00 180.15 3cf5 h GLU 104 N 1.09 -0.08 -0.36 1.05 5.08 -1.91 0.41 114.58 119.85 3cf5 h GLU 104 Ca 0.27 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3cf5 h GLU 104 Cb 0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3cf5 h GLU 104 CO -0.04 -0.06 -0.37 0.00 -1.00 0.00 0.00 179.01 177.55 3cf5 h ALA 105 N 1.19 0.53 -0.39 3.43 0.00 -1.72 -3.19 119.26 119.10 3cf5 h ALA 105 Ca 0.29 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3cf5 h ALA 105 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3cf5 h ALA 105 CO -0.82 0.62 0.23 0.35 0.00 0.00 0.00 179.25 179.63 3cf5 h PHE 106 N 0.69 0.44 0.00 0.00 3.57 0.19 -3.06 116.94 118.77 3cf5 h PHE 106 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3cf5 h PHE 106 Cb 0.96 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3cf5 h PHE 106 CO 0.07 0.26 0.00 1.17 -2.23 0.00 0.00 178.31 177.58 3cf5 n LYS 107 N -4.86 0.00 0.00 1.11 3.00 0.11 -0.77 118.16 116.75 3cf5 n LYS 107 Ca 0.01 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 3cf5 n LYS 107 Cb 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.66 3cf5 n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3cf5 n ALA 108 N -2.66 0.00 -0.26 3.14 0.00 -1.17 0.11 120.51 119.67 3cf5 n ALA 108 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3cf5 n ALA 108 Cb 0.00 0.25 0.21 0.00 0.00 0.00 0.00 19.45 19.92 3cf5 n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 109 N -1.78 -0.10 0.00 0.00 4.77 -0.95 0.30 117.00 119.25 3cf5 n LEU 109 Ca 0.00 1.28 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 3cf5 n LEU 109 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3cf5 n LEU 109 CO 0.00 -1.29 0.24 0.52 -1.33 0.00 0.00 177.39 175.53 3cf5 n VAL 110 N -5.05 0.00 -0.66 4.08 0.31 0.29 -1.69 118.33 115.61 3cf5 n VAL 110 Ca 0.17 0.98 0.51 0.00 -0.01 0.00 0.00 64.34 65.99 3cf5 n VAL 110 Cb 0.57 -1.83 0.82 0.00 -0.91 0.00 0.00 33.84 32.48 3cf5 n VAL 110 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3cf5 h ASP 111 N 0.00 0.00 0.66 4.52 3.58 0.17 0.26 116.42 125.61 3cf5 h ASP 111 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 3cf5 h ASP 111 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3cf5 h ASP 111 CO 0.00 -0.00 -0.46 0.00 -2.88 0.00 0.00 179.24 175.90 3cf5 h ALA 112 N 1.07 -1.12 -0.52 -0.78 0.00 0.51 -2.76 119.26 115.66 3cf5 h ALA 112 Ca 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.57 3cf5 h ALA 112 Cb 3.57 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 21.92 3cf5 h ALA 112 CO -0.02 -1.15 0.26 1.03 0.00 0.00 0.00 179.25 179.37 3cf5 h SER 113 N -1.07 0.65 -0.80 0.00 0.87 0.43 -2.34 113.55 111.30 3cf5 h SER 113 Ca -0.08 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3cf5 h SER 113 Cb 0.88 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 3cf5 h SER 113 CO 0.05 0.55 0.53 -0.09 -0.53 0.00 0.00 176.83 177.34 3cf5 h ARG 114 N 0.73 1.02 -2.00 2.24 2.43 -1.40 -0.77 114.38 116.64 3cf5 h ARG 114 Ca 0.18 -0.06 -0.66 0.00 -0.81 0.00 0.00 59.98 58.64 3cf5 h ARG 114 Cb 0.06 -0.23 -0.23 0.00 -0.42 0.00 0.00 29.97 29.15 3cf5 h ARG 114 CO -0.03 0.68 0.79 0.09 -1.51 0.00 0.00 179.97 179.99 3cf5 n ASN 115 N -4.42 7.09 0.00 -3.80 3.02 -0.88 -2.00 115.26 114.26 3cf5 n ASN 115 Ca 0.09 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 3cf5 n ASN 115 Cb 0.05 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 3cf5 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 n ALA 116 N 0.06 0.56 -1.12 5.41 0.00 -0.39 -4.98 120.51 120.05 3cf5 n ALA 116 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3cf5 n ALA 116 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3cf5 n ALA 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3cf5 n ARG 117 N 0.00 0.00 0.00 0.00 0.63 -0.64 -4.86 116.66 111.78 3cf5 n ARG 117 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3cf5 n ARG 117 Cb 0.38 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.37 3cf5 n ARG 117 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16