#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifx n LEU 24 N 0.00 -1.30 0.00 0.00 7.94 -1.26 -4.65 117.00 117.73 3ifx n LEU 24 Ca 0.00 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 3ifx n LEU 24 Cb 0.00 1.38 0.00 0.00 0.53 0.00 0.00 43.42 45.33 3ifx n LEU 24 CO 0.00 -0.36 0.36 0.00 -1.11 0.00 0.00 177.39 176.28 3ifx n HIS 25 N -3.09 0.00 -0.00 1.96 1.44 -1.26 0.25 115.22 114.52 3ifx n HIS 25 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3ifx n HIS 25 Cb 0.00 -0.22 -0.01 0.00 0.12 0.00 0.00 29.99 29.89 3ifx n HIS 25 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 3ifx n TRP 26 N -1.22 0.00 0.17 -1.40 -0.00 -1.26 -4.36 117.44 109.37 3ifx n TRP 26 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 3ifx n TRP 26 Cb 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 31.31 31.14 3ifx n TRP 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3ifx n ARG 27 N -2.12 0.54 0.10 5.87 5.12 -0.68 -2.90 116.66 122.60 3ifx n ARG 27 Ca -0.01 -0.13 -0.03 0.00 -1.93 0.00 0.00 57.85 55.75 3ifx n ARG 27 Cb 0.52 -1.55 -0.01 0.00 -1.16 0.00 0.00 32.46 30.27 3ifx n ARG 27 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ifx h ALA 28 N 2.17 0.57 0.13 7.54 0.00 0.30 -2.52 119.26 127.45 3ifx h ALA 28 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 53.99 3ifx h ALA 28 Cb 0.92 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ifx h ALA 28 CO 0.00 0.96 -1.06 0.00 0.00 0.00 0.00 179.25 179.14 3ifx h ALA 29 N 1.24 0.01 -0.98 0.00 0.00 -1.72 -1.97 119.26 115.84 3ifx h ALA 29 Ca -0.01 -0.85 0.33 0.00 0.00 0.00 0.00 54.91 54.38 3ifx h ALA 29 Cb 1.51 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 19.39 3ifx h ALA 29 CO 0.10 0.56 0.41 0.78 0.00 0.00 0.00 179.25 181.10 3ifx h GLY 30 N -0.20 1.88 0.95 0.00 0.00 -1.60 -2.41 103.07 101.69 3ifx h GLY 30 Ca -0.21 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 46.71 3ifx h GLY 30 CO 0.12 -0.57 -1.36 0.00 0.00 0.00 0.00 176.54 174.72 3ifx h ALA 31 N 1.90 -0.04 0.00 3.60 0.00 -1.47 -3.18 119.26 120.07 3ifx h ALA 31 Ca 0.72 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ifx h ALA 31 Cb 1.68 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 3ifx h ALA 31 CO -0.71 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.11 3ifx h ALA 32 N 0.10 1.69 0.27 0.00 0.00 -1.16 0.29 119.26 120.45 3ifx h ALA 32 Ca -0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3ifx h ALA 32 Cb 1.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3ifx h ALA 32 CO 0.20 0.15 -0.13 1.79 0.00 0.00 0.00 179.25 181.25 3ifx h THR 33 N 0.00 0.76 -0.51 0.00 1.35 -1.51 0.12 112.91 113.11 3ifx h THR 33 Ca -0.00 -0.62 0.06 0.00 -0.55 0.00 0.00 66.41 65.30 3ifx h THR 33 Cb 0.22 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 3ifx h THR 33 CO 0.02 0.12 0.34 0.58 -0.25 0.00 0.00 175.52 176.33 3ifx h VAL 34 N -0.71 0.98 0.95 6.82 2.07 -1.49 -2.31 116.25 122.56 3ifx h VAL 34 Ca -0.04 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3ifx h VAL 34 Cb 0.48 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ifx h VAL 34 CO 0.06 0.08 -0.46 0.25 0.02 0.00 0.00 177.57 177.53 3ifx h LEU 35 N 0.46 -1.08 -0.77 2.57 7.12 -0.19 -3.33 115.31 120.09 3ifx h LEU 35 Ca 0.22 0.04 0.15 0.00 0.13 0.00 0.00 57.88 58.42 3ifx h LEU 35 Cb 0.29 0.28 -0.10 0.00 -0.53 0.00 0.00 40.66 40.60 3ifx h LEU 35 CO -0.06 -0.74 0.32 0.25 -0.13 0.00 0.00 178.44 178.08 3ifx h LEU 36 N -1.34 0.30 -0.83 2.25 5.85 -0.40 -2.01 115.31 119.13 3ifx h LEU 36 Ca -0.13 0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.90 3ifx h LEU 36 Cb 0.98 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 3ifx h LEU 36 CO 0.21 0.11 0.04 0.58 -0.34 0.00 0.00 178.44 179.04 3ifx h VAL 37 N 0.46 0.26 -0.59 1.05 2.07 -1.63 1.12 116.25 118.99 3ifx h VAL 37 Ca 0.43 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 3ifx h VAL 37 Cb 0.66 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3ifx h VAL 37 CO -0.41 0.02 0.33 0.16 0.02 0.00 0.00 177.57 177.69 3ifx h ILE 38 N 0.10 1.19 -0.56 4.57 3.07 -1.51 -2.59 117.51 121.78 3ifx h ILE 38 Ca 0.48 -0.45 0.11 0.00 1.55 0.00 0.00 64.86 66.54 3ifx h ILE 38 Cb 0.89 0.42 -0.09 0.00 -0.27 0.00 0.00 36.82 37.78 3ifx h ILE 38 CO -0.73 0.20 0.05 0.58 -1.05 0.00 0.00 178.15 177.20 3ifx h VAL 39 N 0.79 0.60 -0.72 0.16 2.07 0.13 -0.29 116.25 118.98 3ifx h VAL 39 Ca 0.21 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.77 3ifx h VAL 39 Cb 0.02 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 3ifx h VAL 39 CO -0.04 0.03 0.36 -0.07 0.02 0.00 0.00 177.57 177.87 3ifx h LEU 40 N 0.17 0.46 -0.93 2.57 4.07 -0.62 -0.80 115.31 120.23 3ifx h LEU 40 Ca 0.29 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.27 3ifx h LEU 40 Cb 0.44 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 3ifx h LEU 40 CO -0.43 0.26 0.30 -0.07 -1.08 0.00 0.00 178.44 177.42 3ifx h LEU 41 N 0.60 0.99 0.13 1.67 3.38 -0.84 -1.94 115.31 119.30 3ifx h LEU 41 Ca 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3ifx h LEU 41 Cb 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ifx h LEU 41 CO -0.28 0.87 -0.09 0.00 0.09 0.00 0.00 178.44 179.04 3ifx h ALA 42 N 1.27 -0.95 -0.96 1.53 0.00 0.17 -2.30 119.26 118.02 3ifx h ALA 42 Ca 0.25 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.42 3ifx h ALA 42 Cb 0.19 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 3ifx h ALA 42 CO -0.02 -0.94 0.39 0.78 0.00 0.00 0.00 179.25 179.45 3ifx h GLY 43 N -0.21 1.78 0.12 0.00 0.00 -1.45 0.11 103.07 103.43 3ifx h GLY 43 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3ifx h GLY 43 CO 0.02 -0.51 -0.47 1.76 0.00 0.00 0.00 176.54 177.33 3ifx h SER 44 N 0.19 -1.42 -0.07 0.19 0.02 -0.97 3.18 113.55 114.67 3ifx h SER 44 Ca 0.68 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.79 3ifx h SER 44 Cb 1.55 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.63 3ifx h SER 44 CO -0.69 -0.50 0.00 -1.22 -1.14 0.00 0.00 176.83 173.28 3ifx n TYR 45 N -5.46 0.09 -0.07 3.45 0.53 -0.71 -3.25 117.16 111.73 3ifx n TYR 45 Ca -0.07 -0.04 -0.14 0.00 -1.02 0.00 0.00 57.90 56.63 3ifx n TYR 45 Cb 0.39 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.56 3ifx n TYR 45 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 3ifx n LEU 46 N -0.14 1.54 0.00 7.72 0.00 0.31 -4.23 117.00 122.21 3ifx n LEU 46 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 56.01 56.31 3ifx n LEU 46 Cb 0.25 -0.29 0.08 0.00 0.00 0.00 0.00 43.42 43.45 3ifx n LEU 46 CO 0.14 0.66 0.35 0.00 0.00 0.00 0.00 177.39 178.54 3ifx n ALA 47 N -2.89 1.54 0.00 1.96 0.00 1.04 -3.16 120.51 119.01 3ifx n ALA 47 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ifx n ALA 47 Cb 1.07 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3ifx n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3ifx n LEU 49 N -1.07 0.00 0.07 0.00 -0.00 -1.26 -0.85 117.00 113.90 3ifx n LEU 49 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.86 3ifx n LEU 49 Cb 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.34 3ifx n LEU 49 CO 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 177.39 177.47 3ifx h ALA 50 N 0.00 0.19 -0.00 1.47 0.00 -1.87 -3.37 119.26 115.68 3ifx h ALA 50 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3ifx h ALA 50 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ifx h ALA 50 CO 0.00 0.78 -0.80 0.39 0.00 0.00 0.00 179.25 179.62 3ifx n GLU 51 N -3.75 0.97 0.00 0.00 1.02 -0.03 -4.61 120.64 114.24 3ifx n GLU 51 Ca -0.09 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 3ifx n GLU 51 Cb 0.91 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 3ifx n GLU 51 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ifx n ARG 52 N -1.22 0.83 -2.88 3.49 0.63 -1.26 -4.01 116.66 112.25 3ifx n ARG 52 Ca 0.04 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.85 3ifx n ARG 52 Cb 0.31 -1.29 0.02 0.00 0.45 0.00 0.00 32.46 31.95 3ifx n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ifx n GLY 53 N 0.16 0.97 0.00 5.14 0.00 -1.26 -4.99 105.19 105.20 3ifx n GLY 53 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3ifx n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifx n ALA 54 N 1.39 0.00 0.40 4.61 0.00 -1.26 -4.96 120.51 120.69 3ifx n ALA 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ifx n ALA 54 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3ifx n ALA 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ifx n PRO 55 N -0.04 0.25 -0.70 0.00 -0.02 -1.26 -4.81 135.00 128.41 3ifx n PRO 55 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 3ifx n PRO 55 Cb 0.00 -1.05 0.16 0.00 -0.02 0.00 0.00 33.50 32.60 3ifx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifx n GLY 56 N -0.01 -0.45 0.00 -1.23 0.00 -1.26 -5.04 105.19 97.20 3ifx n GLY 56 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3ifx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifx n ALA 57 N -4.18 0.00 0.00 4.61 0.00 -1.26 -4.78 120.51 114.90 3ifx n ALA 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ifx n ALA 57 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3ifx n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ifx n GLN 58 N 0.00 0.00 -0.06 0.00 -0.06 -1.26 -3.20 117.38 112.79 3ifx n GLN 58 Ca 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 3ifx n GLN 58 Cb 0.00 -1.54 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 3ifx n GLN 58 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3ifx n LEU 59 N -1.01 1.60 -0.09 1.69 4.77 -1.26 -2.88 117.00 119.82 3ifx n LEU 59 Ca 0.00 -0.77 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 3ifx n LEU 59 Cb 0.04 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 3ifx n LEU 59 CO 0.00 0.28 -1.09 2.30 -1.33 0.00 0.00 177.39 177.55 3ifx n ILE 60 N 1.08 1.03 -2.96 -0.08 -0.00 -1.19 -3.98 119.36 113.26 3ifx n ILE 60 Ca 0.00 -0.39 -0.36 0.00 -0.00 0.00 0.00 62.75 62.00 3ifx n ILE 60 Cb 0.22 -1.16 -0.06 0.00 -0.00 0.00 0.00 39.64 38.64 3ifx n ILE 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3ifx s THR 61 N -2.36 4.42 0.07 7.28 2.01 -1.14 -4.77 115.64 121.16 3ifx s THR 61 Ca -0.24 1.49 -0.33 0.00 0.31 0.00 0.00 61.69 62.92 3ifx s THR 61 Cb 0.06 -3.88 -0.19 0.00 0.01 0.00 0.00 72.50 68.50 3ifx s THR 61 CO 0.41 0.12 1.63 0.10 -0.69 0.00 0.00 174.62 176.19 3ifx h TYR 62 N 3.14 -0.84 0.00 4.92 -0.00 -1.94 -3.17 116.97 119.08 3ifx h TYR 62 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.24 3ifx h TYR 62 Cb 1.19 0.28 0.00 0.00 -0.00 0.00 0.00 36.73 38.20 3ifx h TYR 62 CO 0.63 -0.52 0.00 -0.35 -0.00 0.00 0.00 178.16 177.92 3ifx n PRO 63 N -5.48 0.02 -0.06 0.10 -0.04 -1.26 -1.82 135.00 126.46 3ifx n PRO 63 Ca -0.13 0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 3ifx n PRO 63 Cb 0.37 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 3ifx n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ifx h ARG 64 N 0.00 0.00 -1.66 0.54 -0.00 -1.88 -3.37 114.38 108.02 3ifx h ARG 64 Ca 0.00 0.00 0.49 0.00 -0.50 0.00 0.00 59.98 59.97 3ifx h ARG 64 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 29.95 3ifx h ARG 64 CO 0.00 0.00 1.17 0.00 0.00 0.00 0.00 179.97 181.14 3ifx h ALA 65 N -1.04 3.46 0.07 0.04 0.00 -1.34 0.81 119.26 121.27 3ifx h ALA 65 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ifx h ALA 65 Cb 0.30 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ifx h ALA 65 CO 0.00 -1.99 -0.20 -0.07 0.00 0.00 0.00 179.25 177.00 3ifx h LEU 66 N 0.02 -0.56 -0.85 0.00 3.38 -1.68 2.09 115.31 117.71 3ifx h LEU 66 Ca 0.83 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.85 3ifx h LEU 66 Cb 3.17 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 44.14 3ifx h LEU 66 CO -0.09 -0.27 -0.05 -0.25 0.09 0.00 0.00 178.44 177.86 3ifx h TRP 67 N -0.35 0.00 0.34 1.13 2.91 0.32 -1.06 115.95 119.24 3ifx h TRP 67 Ca 0.04 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 3ifx h TRP 67 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 3ifx h TRP 67 CO -0.21 0.05 -0.17 2.35 -1.03 0.00 0.00 178.44 179.44 3ifx h TRP 68 N 0.00 -0.43 -0.67 2.65 7.01 0.60 -2.26 115.95 122.85 3ifx h TRP 68 Ca -0.00 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.14 3ifx h TRP 68 Cb 0.75 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.91 3ifx h TRP 68 CO 0.00 -0.27 0.46 0.77 -2.79 0.00 0.00 178.44 176.61 3ifx h SER 69 N -1.09 0.25 0.40 2.65 0.02 0.34 0.14 113.55 116.25 3ifx h SER 69 Ca -0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3ifx h SER 69 Cb 0.35 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3ifx h SER 69 CO 0.08 0.13 -0.19 0.58 -1.14 0.00 0.00 176.83 176.28 3ifx h VAL 70 N 0.26 0.48 0.00 2.27 2.07 -1.26 -0.12 116.25 119.95 3ifx h VAL 70 Ca 0.32 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3ifx h VAL 70 Cb 0.90 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ifx h VAL 70 CO -0.07 0.08 -0.13 -0.33 0.02 0.00 0.00 177.57 177.14 3ifx h GLU 71 N -0.92 0.00 -0.01 1.57 3.07 -0.87 -2.54 114.58 114.87 3ifx h GLU 71 Ca -0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 3ifx h GLU 71 Cb 0.55 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3ifx h GLU 71 CO 0.09 0.13 -0.27 1.15 -1.40 0.00 0.00 179.01 178.71 3ifx h THR 72 N 0.00 1.51 0.15 1.13 2.02 -0.69 -2.27 112.91 114.76 3ifx h THR 72 Ca -0.00 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.30 3ifx h THR 72 Cb 0.30 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3ifx h THR 72 CO 0.02 0.52 -0.21 0.00 0.37 0.00 0.00 175.52 176.22 3ifx h ALA 73 N 0.30 -0.38 0.00 6.16 0.00 -0.78 -0.12 119.26 124.44 3ifx h ALA 73 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ifx h ALA 73 Cb 1.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ifx h ALA 73 CO 0.05 -0.75 0.06 2.41 0.00 0.00 0.00 179.25 181.03 3ifx n THR 74 N -5.33 1.39 -2.15 0.00 -1.04 -0.98 -4.28 114.28 101.89 3ifx n THR 74 Ca -0.07 0.61 -0.09 0.00 -2.04 0.00 0.00 64.05 62.46 3ifx n THR 74 Cb 0.25 -1.61 -0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3ifx n THR 74 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3ifx n THR 75 N -1.80 -0.41 -0.02 12.58 -2.24 -0.06 -4.96 114.28 117.36 3ifx n THR 75 Ca -0.01 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ifx n THR 75 Cb 0.08 -1.55 -0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3ifx n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ifx h VAL 76 N 0.00 0.00 -4.20 2.28 2.07 -1.61 -3.50 116.25 111.29 3ifx h VAL 76 Ca -0.21 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.52 3ifx h VAL 76 Cb 1.14 0.00 0.10 0.00 -1.52 0.00 0.00 31.29 31.01 3ifx h VAL 76 CO 0.25 0.00 -0.43 0.61 0.02 0.00 0.00 177.57 178.02 3ifx n GLY 77 N 1.78 -0.12 0.34 2.17 0.00 -1.20 -4.94 105.19 103.22 3ifx n GLY 77 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 3ifx n GLY 77 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ifx h TYR 78 N -0.57 -0.85 0.00 1.61 -0.00 -1.92 -3.46 116.97 111.78 3ifx h TYR 78 Ca -0.31 0.08 0.00 0.00 0.00 0.00 0.00 58.73 58.51 3ifx h TYR 78 Cb 1.16 0.48 0.00 0.00 0.00 0.00 0.00 36.73 38.37 3ifx h TYR 78 CO 0.15 -0.38 0.00 0.41 -0.00 0.00 0.00 178.16 178.35 3ifx n GLY 79 N -1.46 2.75 0.34 0.10 0.00 -1.26 -4.97 105.19 100.69 3ifx n GLY 79 Ca 0.07 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.38 3ifx n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ifx h ASP 80 N 0.15 0.39 -4.57 1.61 2.03 -2.04 -3.38 116.42 110.62 3ifx h ASP 80 Ca 0.00 0.22 -0.30 0.00 -0.73 0.00 0.00 57.03 56.22 3ifx h ASP 80 Cb 0.00 0.20 -0.19 0.00 -0.83 0.00 0.00 39.33 38.51 3ifx h ASP 80 CO 0.00 -0.29 -0.73 -0.76 -1.03 0.00 0.00 179.24 176.43 3ifx s LEU 81 N -10.37 2.35 -0.30 0.15 1.43 -1.26 -4.94 118.68 105.74 3ifx s LEU 81 Ca -0.09 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 3ifx s LEU 81 Cb 0.32 -0.24 0.18 0.00 0.03 0.00 0.00 46.19 46.48 3ifx s LEU 81 CO 0.79 -0.25 1.04 -0.72 0.23 0.00 0.00 176.35 177.44 3ifx s TYR 82 N -2.08 -0.55 0.73 0.29 1.13 -1.26 -4.94 117.35 110.67 3ifx s TYR 82 Ca -0.00 0.51 -0.17 0.00 -1.41 0.00 0.00 57.07 56.00 3ifx s TYR 82 Cb -0.05 0.17 -0.13 0.00 -1.10 0.00 0.00 41.96 40.84 3ifx s TYR 82 CO -0.00 -0.30 -0.29 -2.30 -2.51 0.00 0.00 175.55 170.14 3ifx n PRO 83 N 5.40 0.03 -0.00 -3.49 -0.02 -1.26 -4.77 135.00 130.88 3ifx n PRO 83 Ca -0.03 0.02 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 3ifx n PRO 83 Cb 0.55 -1.13 -0.01 0.00 -0.02 0.00 0.00 33.50 32.89 3ifx n PRO 83 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ifx n VAL 84 N -2.05 0.28 -1.40 -1.45 0.31 -1.26 -4.88 118.33 107.88 3ifx n VAL 84 Ca 0.04 0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 3ifx n VAL 84 Cb 0.51 -1.55 0.02 0.00 -0.91 0.00 0.00 33.84 31.91 3ifx n VAL 84 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ifx n THR 85 N -3.17 1.41 -0.13 2.52 -1.04 -1.26 -4.75 114.28 107.86 3ifx n THR 85 Ca -0.04 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.49 3ifx n THR 85 Cb 0.46 -0.41 0.32 0.00 -1.82 0.00 0.00 70.33 68.88 3ifx n THR 85 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ifx h LEU 86 N 0.37 0.70 0.11 -4.42 5.85 -1.97 -1.45 115.31 114.51 3ifx h LEU 86 Ca -0.42 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ifx h LEU 86 Cb 1.42 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3ifx h LEU 86 CO 0.47 0.51 -0.05 -0.50 -0.34 0.00 0.00 178.44 178.53 3ifx h TRP 87 N 0.82 -0.14 -1.21 1.25 -0.00 -1.94 -1.86 115.95 112.88 3ifx h TRP 87 Ca 0.22 -0.00 0.35 0.00 -0.00 0.00 0.00 58.89 59.46 3ifx h TRP 87 Cb -0.09 0.05 -0.06 0.00 -0.00 0.00 0.00 29.16 29.06 3ifx h TRP 87 CO 0.00 0.35 0.85 0.78 -0.00 0.00 0.00 178.44 180.43 3ifx h GLY 88 N -0.88 0.28 0.45 1.49 0.00 -1.77 -2.09 103.07 100.56 3ifx h GLY 88 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ifx h GLY 88 CO 0.02 -0.04 -0.02 3.21 0.00 0.00 0.00 176.54 179.71 3ifx h ARG 89 N 0.07 -0.06 -0.21 4.80 3.08 -1.12 -2.61 114.38 118.34 3ifx h ARG 89 Ca 0.60 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.71 3ifx h ARG 89 Cb 2.23 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 32.22 3ifx h ARG 89 CO -0.08 0.45 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.81 3ifx h LEU 90 N -0.61 -1.23 -0.82 3.04 3.38 -0.71 -1.06 115.31 117.29 3ifx h LEU 90 Ca -0.01 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.34 3ifx h LEU 90 Cb 0.54 0.52 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 3ifx h LEU 90 CO 0.01 -0.39 0.10 0.58 0.09 0.00 0.00 178.44 178.83 3ifx h VAL 91 N -0.42 0.31 0.66 1.22 2.07 -1.46 0.88 116.25 119.52 3ifx h VAL 91 Ca 0.10 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ifx h VAL 91 Cb 0.59 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ifx h VAL 91 CO -0.43 0.03 -0.37 0.00 0.02 0.00 0.00 177.57 176.81 3ifx h ALA 92 N 1.75 -1.22 -0.70 1.67 0.00 -0.83 0.37 119.26 120.30 3ifx h ALA 92 Ca 0.48 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.48 3ifx h ALA 92 Cb 0.91 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 3ifx h ALA 92 CO -0.68 -1.17 0.37 0.28 0.00 0.00 0.00 179.25 178.06 3ifx n VAL 93 N -4.76 -0.30 -0.06 0.00 0.31 -0.40 0.35 118.33 113.48 3ifx n VAL 93 Ca -0.12 1.43 -0.16 0.00 -0.01 0.00 0.00 64.34 65.48 3ifx n VAL 93 Cb 0.39 -2.32 -0.06 0.00 -0.91 0.00 0.00 33.84 30.95 3ifx n VAL 93 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ifx h VAL 94 N 0.00 1.29 -0.00 2.52 2.07 0.59 -3.13 116.25 119.58 3ifx h VAL 94 Ca 0.60 -1.78 -0.18 0.00 0.82 0.00 0.00 66.70 66.15 3ifx h VAL 94 Cb 1.57 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3ifx h VAL 94 CO -0.54 0.57 -0.82 1.62 0.02 0.00 0.00 177.57 178.42 3ifx h VAL 95 N 0.55 1.52 0.59 2.57 3.04 1.02 -2.49 116.25 123.05 3ifx h VAL 95 Ca -0.01 -2.61 -0.03 0.00 -1.01 0.00 0.00 66.70 63.05 3ifx h VAL 95 Cb 1.20 2.43 0.01 0.00 -2.01 0.00 0.00 31.29 32.91 3ifx h VAL 95 CO 0.13 0.75 -0.28 0.24 -1.01 0.00 0.00 177.57 177.40 3ifx h MET 96 N 0.06 -0.76 -1.15 4.17 2.86 -0.32 -3.15 114.93 116.64 3ifx h MET 96 Ca -0.03 0.05 0.37 0.00 -2.06 0.00 0.00 59.70 58.04 3ifx h MET 96 Cb 1.43 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 33.13 3ifx h MET 96 CO 0.12 -0.51 0.71 -0.39 1.06 0.00 0.00 176.91 177.90 3ifx h VAL 97 N -0.94 0.24 0.37 -2.22 -1.51 -1.47 0.35 116.25 111.06 3ifx h VAL 97 Ca -0.08 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3ifx h VAL 97 Cb 0.61 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.75 3ifx h VAL 97 CO 0.13 0.04 -0.51 0.00 -1.23 0.00 0.00 177.57 176.00 3ifx h ALA 98 N 1.70 -1.08 -0.75 5.19 0.00 -1.45 -0.76 119.26 122.11 3ifx h ALA 98 Ca 0.76 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.56 3ifx h ALA 98 Cb 2.09 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 20.62 3ifx h ALA 98 CO -0.48 -1.16 0.49 0.78 0.00 0.00 0.00 179.25 178.89 3ifx h GLY 99 N -0.92 1.02 0.49 0.00 0.00 -0.28 0.26 103.07 103.64 3ifx h GLY 99 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3ifx h GLY 99 CO -0.14 0.25 -0.11 0.16 0.00 0.00 0.00 176.54 176.70 3ifx h ILE 100 N 0.81 0.79 0.25 2.60 3.07 -1.28 -2.24 117.51 121.51 3ifx h ILE 100 Ca 0.32 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.83 3ifx h ILE 100 Cb 0.22 1.24 -0.02 0.00 -0.27 0.00 0.00 36.82 37.99 3ifx h ILE 100 CO -0.11 0.17 -0.27 0.74 -1.05 0.00 0.00 178.15 177.64 3ifx h THR 101 N -0.81 0.43 -1.01 0.16 2.02 -1.00 0.54 112.91 113.24 3ifx h THR 101 Ca -0.03 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.42 3ifx h THR 101 Cb 0.51 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 67.22 3ifx h THR 101 CO 0.05 0.00 0.60 0.77 0.37 0.00 0.00 175.52 177.31 3ifx h SER 102 N -0.56 0.61 0.01 4.18 4.64 -1.08 -1.71 113.55 119.64 3ifx h SER 102 Ca -0.00 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3ifx h SER 102 Cb 0.52 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ifx h SER 102 CO -0.07 0.05 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.50 3ifx h PHE 103 N 0.50 0.15 -0.77 4.77 0.04 -0.70 -3.28 116.94 117.65 3ifx h PHE 103 Ca 0.66 -0.09 0.22 0.00 2.80 0.00 0.00 57.97 61.57 3ifx h PHE 103 Cb 1.38 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.48 3ifx h PHE 103 CO -0.01 0.94 0.66 0.78 -0.60 0.00 0.00 178.31 180.08 3ifx h GLY 104 N -0.67 0.00 0.28 -1.45 0.00 0.90 0.35 103.07 102.48 3ifx h GLY 104 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3ifx h GLY 104 CO 0.03 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.85 3ifx h LEU 105 N 0.00 -0.32 -1.28 3.11 4.07 -1.43 -2.00 115.31 117.45 3ifx h LEU 105 Ca 0.37 0.01 0.35 0.00 0.08 0.00 0.00 57.88 58.68 3ifx h LEU 105 Cb 1.68 0.08 -0.12 0.00 1.08 0.00 0.00 40.66 43.38 3ifx h LEU 105 CO -0.00 -0.22 0.71 0.58 -1.08 0.00 0.00 178.44 178.43 3ifx h VAL 106 N -0.41 0.31 -0.09 1.22 2.07 -1.01 0.99 116.25 119.32 3ifx h VAL 106 Ca -0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3ifx h VAL 106 Cb 0.29 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3ifx h VAL 106 CO 0.06 0.05 0.05 0.74 0.02 0.00 0.00 177.57 178.49 3ifx h THR 107 N 0.26 1.09 -0.56 2.57 2.02 -1.39 -0.65 112.91 116.25 3ifx h THR 107 Ca 0.72 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.60 3ifx h THR 107 Cb 1.96 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 3ifx h THR 107 CO -0.43 0.08 0.16 0.00 0.37 0.00 0.00 175.52 175.71 3ifx h ALA 108 N 0.95 1.23 0.30 6.16 0.00 0.16 0.18 119.26 128.24 3ifx h ALA 108 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ifx h ALA 108 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ifx h ALA 108 CO -0.00 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 3ifx h ALA 109 N 1.36 -0.40 -0.34 0.00 0.00 -0.61 -1.48 119.26 117.79 3ifx h ALA 109 Ca 0.19 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3ifx h ALA 109 Cb 0.26 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3ifx h ALA 109 CO -0.01 -0.71 -0.10 -0.07 0.00 0.00 0.00 179.25 178.36 3ifx h LEU 110 N -0.44 -0.37 -0.09 0.00 4.07 -0.89 -2.26 115.31 115.33 3ifx h LEU 110 Ca -0.04 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.05 3ifx h LEU 110 Cb 0.34 0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 3ifx h LEU 110 CO 0.07 -0.13 -0.51 0.00 -1.08 0.00 0.00 178.44 176.79 3ifx h ALA 111 N 1.29 -0.89 -0.50 1.53 0.00 -0.34 -2.34 119.26 118.01 3ifx h ALA 111 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ifx h ALA 111 Cb 0.28 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ifx h ALA 111 CO -0.36 -1.06 -0.04 1.79 0.00 0.00 0.00 179.25 179.58 3ifx h THR 112 N -0.57 1.25 0.00 0.00 1.35 -1.23 -1.70 112.91 112.01 3ifx h THR 112 Ca 0.02 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3ifx h THR 112 Cb 0.65 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3ifx h THR 112 CO -0.39 0.39 0.01 -0.25 -0.25 0.00 0.00 175.52 175.03 3ifx h TRP 113 N 0.80 0.00 0.15 4.73 7.01 -1.12 1.04 115.95 128.56 3ifx h TRP 113 Ca 0.14 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.82 3ifx h TRP 113 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 3ifx h TRP 113 CO 0.03 0.00 -1.60 0.74 -2.79 0.00 0.00 178.44 174.82 3ifx h PHE 114 N 0.00 0.59 -0.23 2.65 -1.00 -0.80 -3.32 116.94 114.83 3ifx h PHE 114 Ca 0.00 -0.43 0.02 0.00 2.81 0.00 0.00 57.97 60.36 3ifx h PHE 114 Cb 0.02 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3ifx h PHE 114 CO 0.00 1.49 0.11 0.28 -1.61 0.00 0.00 178.31 178.58 3ifx h VAL 115 N 0.09 0.98 0.00 -0.55 2.07 0.30 -2.73 116.25 116.40 3ifx h VAL 115 Ca -0.28 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ifx h VAL 115 Cb 2.06 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3ifx h VAL 115 CO 0.18 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.42 3ifx n GLY 116 N -1.17 0.34 2.57 2.17 0.00 0.32 -1.32 105.19 108.09 3ifx n GLY 116 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3ifx n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifx n ARG 117 N 0.37 2.23 -0.07 1.61 5.12 -1.03 -4.82 116.66 120.07 3ifx n ARG 117 Ca 0.00 -3.73 -0.08 0.00 -1.93 0.00 0.00 57.85 52.12 3ifx n ARG 117 Cb 0.06 -1.75 -0.08 0.00 -1.16 0.00 0.00 32.46 29.52 3ifx n ARG 117 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3ifx n GLU 118 N -0.48 1.32 0.00 5.56 4.71 -0.43 -5.08 120.64 126.24 3ifx n GLU 118 Ca 0.20 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 3ifx n GLU 118 Cb 0.82 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.95 3ifx n GLU 118 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22