#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8l n GLU 2 N 0.00 -1.49 -1.25 0.03 0.28 -1.26 -4.91 120.64 112.03 1m8l n GLU 2 Ca 0.00 -1.41 -0.35 0.00 -0.16 0.00 0.00 57.16 55.24 1m8l n GLU 2 Cb 0.00 -1.05 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 1m8l n GLU 2 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1m8l n GLN 3 N -3.33 3.45 -1.83 3.44 6.02 -1.26 -4.95 117.38 118.92 1m8l n GLN 3 Ca 0.12 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.00 54.65 1m8l n GLN 3 Cb 0.42 -2.69 -0.03 0.00 1.02 0.00 0.00 30.24 28.96 1m8l n GLN 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1m8l s ALA 4 N 2.07 3.31 0.97 -1.58 0.00 -1.26 -5.01 121.76 120.25 1m8l s ALA 4 Ca 0.69 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 53.40 1m8l s ALA 4 Cb 0.19 -3.88 0.21 0.00 0.00 0.00 0.00 23.12 19.64 1m8l s ALA 4 CO -0.05 -1.93 1.27 -0.35 0.00 0.00 0.00 175.76 174.70 1m8l n PRO 5 N 7.79 -1.15 0.42 0.00 -0.04 -1.26 -5.02 135.00 135.73 1m8l n PRO 5 Ca 0.21 -2.09 -0.16 0.00 -0.04 0.00 0.00 63.50 61.42 1m8l n PRO 5 Cb 0.43 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1m8l n PRO 5 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1m8l h GLU 6 N 0.00 -1.03 -5.72 0.54 4.22 -2.05 -3.31 114.58 107.24 1m8l h GLU 6 Ca -0.41 0.07 -0.67 0.00 0.08 0.00 0.00 59.36 58.43 1m8l h GLU 6 Cb 1.17 0.23 -0.11 0.00 0.50 0.00 0.00 28.75 30.55 1m8l h GLU 6 CO 0.30 -0.69 1.80 0.34 -2.18 0.00 0.00 179.01 178.58 1m8l s ASP 7 N -3.59 6.76 -0.70 1.04 -1.08 -1.26 -4.94 116.67 112.89 1m8l s ASP 7 Ca -0.16 -2.22 -0.26 0.00 -0.52 0.00 0.00 52.55 49.40 1m8l s ASP 7 Cb 0.02 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.89 1m8l s ASP 7 CO 0.47 -1.20 2.04 -1.58 0.52 0.00 0.00 175.17 175.42 1m8l s GLN 8 N 3.96 2.40 0.00 4.34 2.00 -1.25 -4.96 119.66 126.15 1m8l s GLN 8 Ca 0.49 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 54.29 1m8l s GLN 8 Cb 0.01 -4.67 0.00 0.00 0.80 0.00 0.00 33.01 29.15 1m8l s GLN 8 CO 0.01 -3.21 0.00 0.41 -0.50 0.00 0.00 175.29 171.99 1m8l n GLY 9 N 6.23 -0.66 2.94 2.59 0.00 -1.26 -4.92 105.19 110.11 1m8l n GLY 9 Ca 0.32 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1m8l n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1m8l n PRO 10 N -0.89 2.31 -2.69 1.61 -0.04 -1.26 -4.88 135.00 129.17 1m8l n PRO 10 Ca 0.00 -2.34 -0.43 0.00 -0.04 0.00 0.00 63.50 60.69 1m8l n PRO 10 Cb 0.00 -3.17 -0.01 0.00 -0.04 0.00 0.00 33.50 30.27 1m8l n PRO 10 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1m8l s GLN 11 N 4.04 3.82 -0.81 0.54 0.74 -1.26 -4.95 119.66 121.78 1m8l s GLN 11 Ca 0.52 -1.78 -0.26 0.00 0.05 0.00 0.00 55.36 53.89 1m8l s GLN 11 Cb 0.13 -5.31 0.02 0.00 1.10 0.00 0.00 33.01 28.96 1m8l s GLN 11 CO 0.01 -2.08 1.46 0.50 -0.55 0.00 0.00 175.29 174.62 1m8l s ARG 12 N 3.77 3.17 -0.25 1.67 6.06 -1.26 -4.58 118.95 127.53 1m8l s ARG 12 Ca 0.46 -0.35 -0.16 0.00 -2.50 0.00 0.00 55.73 53.18 1m8l s ARG 12 Cb 0.00 -4.59 0.02 0.00 0.06 0.00 0.00 34.95 30.45 1m8l s ARG 12 CO -0.02 -2.34 0.31 0.39 -2.50 0.00 0.00 175.30 171.14 1m8l n GLU 13 N 9.18 -1.55 0.21 5.12 1.02 -1.26 -4.95 120.64 128.41 1m8l n GLU 13 Ca 0.16 1.44 -0.13 0.00 -0.02 0.00 0.00 57.16 58.62 1m8l n GLU 13 Cb 0.50 -2.52 -0.07 0.00 -0.02 0.00 0.00 31.44 29.33 1m8l n GLU 13 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1m8l h PRO 14 N 2.80 -0.68 -7.36 3.49 0.11 -2.00 -3.40 132.00 124.97 1m8l h PRO 14 Ca -0.20 0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.46 1m8l h PRO 14 Cb 1.01 0.15 0.13 0.00 0.11 0.00 0.00 31.00 32.40 1m8l h PRO 14 CO 0.12 -0.45 0.30 0.71 -0.21 0.00 0.00 178.00 178.47 1m8l s TYR 15 N -4.96 2.62 -1.40 0.65 2.02 -1.26 -1.32 117.35 113.69 1m8l s TYR 15 Ca -0.12 1.29 -0.10 0.00 -0.37 0.00 0.00 57.07 57.77 1m8l s TYR 15 Cb 0.03 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.52 1m8l s TYR 15 CO 0.41 -1.96 1.09 -1.71 -1.57 0.00 0.00 175.55 171.81 1m8l n ASN 16 N -3.59 -5.31 0.13 2.29 5.15 -1.26 -4.59 115.26 108.07 1m8l n ASN 16 Ca 0.07 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1m8l n ASN 16 Cb 0.55 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 1m8l n ASN 16 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1m8l n ASP 17 N -2.97 -2.26 -0.17 1.20 -0.08 -1.24 -4.85 116.55 106.18 1m8l n ASP 17 Ca -0.02 0.65 -0.08 0.00 -1.51 0.00 0.00 54.79 53.83 1m8l n ASP 17 Cb 0.56 2.30 0.01 0.00 2.34 0.00 0.00 41.12 46.34 1m8l n ASP 17 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1m8l h TRP 18 N 0.00 0.69 -0.39 -0.67 7.01 -1.45 -0.95 115.95 120.19 1m8l h TRP 18 Ca 0.00 -0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.05 1m8l h TRP 18 Cb 0.00 -0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 26.76 1m8l h TRP 18 CO 0.00 0.53 -0.15 1.15 -2.79 0.00 0.00 178.44 177.18 1m8l h THR 19 N 0.64 0.51 0.00 2.65 2.02 -1.89 0.18 112.91 117.03 1m8l h THR 19 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 1m8l h THR 19 Cb 0.09 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1m8l h THR 19 CO -0.02 0.00 -0.30 -0.07 0.37 0.00 0.00 175.52 175.49 1m8l h LEU 20 N -0.07 0.00 -0.17 2.58 3.38 -1.81 -1.22 115.31 118.00 1m8l h LEU 20 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1m8l h LEU 20 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1m8l h LEU 20 CO -0.44 0.30 -0.27 -0.08 0.09 0.00 0.00 178.44 178.05 1m8l h GLU 21 N 0.00 0.47 -0.54 1.13 4.57 0.07 -0.72 114.58 119.57 1m8l h GLU 21 Ca -0.00 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1m8l h GLU 21 Cb 0.57 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1m8l h GLU 21 CO 0.04 0.88 0.22 -0.07 -1.18 0.00 0.00 179.01 178.91 1m8l h LEU 22 N 0.11 0.73 0.41 1.64 3.38 -0.46 0.13 115.31 121.25 1m8l h LEU 22 Ca 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1m8l h LEU 22 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1m8l h LEU 22 CO 0.06 0.69 -0.43 0.25 0.09 0.00 0.00 178.44 179.10 1m8l h LEU 23 N 0.72 -1.19 -1.30 1.67 5.85 -1.25 -1.14 115.31 118.67 1m8l h LEU 23 Ca 0.18 0.10 0.24 0.00 0.84 0.00 0.00 57.88 59.24 1m8l h LEU 23 Cb 0.18 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1m8l h LEU 23 CO -0.02 -0.58 0.64 -0.33 -0.34 0.00 0.00 178.44 177.81 1m8l h GLU 24 N -0.87 0.46 0.30 1.25 4.39 -0.92 0.15 114.58 119.34 1m8l h GLU 24 Ca -0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1m8l h GLU 24 Cb 0.77 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1m8l h GLU 24 CO -0.08 0.30 -0.14 1.49 -1.16 0.00 0.00 179.01 179.42 1m8l h GLU 25 N 0.47 -0.39 -0.24 2.33 4.81 -0.44 -0.23 114.58 120.90 1m8l h GLU 25 Ca 0.58 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.79 1m8l h GLU 25 Cb 1.33 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1m8l h GLU 25 CO -0.31 -0.09 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.76 1m8l h LEU 26 N -0.69 0.34 -0.12 1.64 3.38 -0.32 -0.17 115.31 119.37 1m8l h LEU 26 Ca -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1m8l h LEU 26 Cb 0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1m8l h LEU 26 CO 0.07 0.44 -0.03 0.50 0.09 0.00 0.00 178.44 179.52 1m8l h LYS 27 N 0.35 0.24 -0.23 1.13 3.64 -0.71 -1.50 116.57 119.48 1m8l h LYS 27 Ca 0.08 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1m8l h LYS 27 Cb 0.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1m8l h LYS 27 CO 0.01 0.53 0.15 -0.97 -2.27 0.00 0.00 179.45 176.90 1m8l h ASN 28 N -0.07 0.24 -0.20 4.20 -1.24 -0.65 0.46 115.58 118.33 1m8l h ASN 28 Ca 0.03 -0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.10 1m8l h ASN 28 Cb 0.44 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.37 1m8l h ASN 28 CO 0.01 0.18 -0.24 -0.08 -1.29 0.00 0.00 177.43 176.01 1m8l h GLU 29 N 0.30 -0.26 0.33 6.67 4.22 -1.02 -1.10 114.58 123.72 1m8l h GLU 29 Ca 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 1m8l h GLU 29 Cb -0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1m8l h GLU 29 CO -0.03 -0.17 -0.16 0.00 -2.18 0.00 0.00 179.01 176.47 1m8l h ALA 30 N 0.73 -0.44 0.00 2.92 0.00 -0.98 -3.22 119.26 118.27 1m8l h ALA 30 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1m8l h ALA 30 Cb 0.46 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1m8l h ALA 30 CO -0.36 -0.64 -0.17 -0.24 0.00 0.00 0.00 179.25 177.84 1m8l h VAL 31 N -0.64 1.00 0.13 0.00 3.04 -0.74 0.36 116.25 119.41 1m8l h VAL 31 Ca -0.04 -0.60 0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1m8l h VAL 31 Cb 0.46 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1m8l h VAL 31 CO 0.07 0.17 -0.26 -0.09 -1.01 0.00 0.00 177.57 176.45 1m8l h ARG 32 N 0.00 -0.45 -0.00 4.17 2.43 -1.22 -2.06 114.38 117.25 1m8l h ARG 32 Ca -0.00 0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1m8l h ARG 32 Cb 0.32 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1m8l h ARG 32 CO 0.02 -0.30 -0.84 1.25 -1.51 0.00 0.00 179.97 178.59 1m8l h HIS 33 N -0.47 0.24 -2.26 2.20 2.76 -1.46 -3.39 115.15 112.77 1m8l h HIS 33 Ca 0.03 -0.13 -0.59 0.00 -2.20 0.00 0.00 60.37 57.47 1m8l h HIS 33 Cb 0.49 -0.03 -0.41 0.00 1.55 0.00 0.00 27.41 29.01 1m8l h HIS 33 CO -0.23 0.93 -0.70 0.34 -1.30 0.00 0.00 177.93 176.97 1m8l n PHE 34 N -3.66 2.71 -1.88 5.26 7.35 0.12 -5.02 117.46 122.35 1m8l n PHE 34 Ca -0.03 -4.04 -0.40 0.00 -0.76 0.00 0.00 57.45 52.22 1m8l n PHE 34 Cb 0.78 -0.50 -0.03 0.00 0.35 0.00 0.00 39.48 40.09 1m8l n PHE 34 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1m8l n PRO 35 N 1.14 2.37 -0.11 -7.13 -0.04 -0.78 -4.26 135.00 126.18 1m8l n PRO 35 Ca 0.27 -2.57 -0.15 0.00 -0.04 0.00 0.00 63.50 61.01 1m8l n PRO 35 Cb 0.43 -3.34 -0.11 0.00 -0.04 0.00 0.00 33.50 30.44 1m8l n PRO 35 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1m8l n ARG 36 N 7.36 0.64 0.00 0.54 3.00 -1.26 -5.01 116.66 121.93 1m8l n ARG 36 Ca 0.49 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.46 1m8l n ARG 36 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1m8l n ARG 36 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1m8l n ILE 37 N -3.10 0.00 -0.33 5.15 0.00 -1.26 -4.83 119.36 114.99 1m8l n ILE 37 Ca -0.39 0.00 0.21 0.00 0.00 0.00 0.00 62.75 62.57 1m8l n ILE 37 Cb 0.95 0.00 0.44 0.00 0.00 0.00 0.00 39.64 41.03 1m8l n ILE 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1m8l h TRP 38 N 0.00 0.89 -0.84 9.51 7.01 -1.94 -0.86 115.95 129.71 1m8l h TRP 38 Ca 0.00 0.04 0.17 0.00 2.11 0.00 0.00 58.89 61.21 1m8l h TRP 38 Cb 0.00 -0.23 -0.16 0.00 -2.10 0.00 0.00 29.16 26.67 1m8l h TRP 38 CO 0.00 -0.13 -0.20 1.28 -2.79 0.00 0.00 178.44 176.60 1m8l n LEU 39 N -5.03 -0.30 0.13 0.65 4.77 -1.26 -0.74 117.00 115.22 1m8l n LEU 39 Ca 0.30 1.45 -0.14 0.00 -0.03 0.00 0.00 56.01 57.59 1m8l n LEU 39 Cb 0.90 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1m8l n LEU 39 CO 0.11 -1.39 0.67 -0.74 -1.33 0.00 0.00 177.39 174.71 1m8l h HIS 40 N 0.00 -0.28 -0.95 -1.77 2.76 -1.57 -2.74 115.15 110.60 1m8l h HIS 40 Ca 0.41 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.61 1m8l h HIS 40 Cb 0.63 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 1m8l h HIS 40 CO -0.64 -0.02 0.63 1.03 -1.30 0.00 0.00 177.93 177.62 1m8l h SER 41 N -0.52 1.03 -0.88 3.26 0.87 -1.10 -1.28 113.55 114.94 1m8l h SER 41 Ca -0.03 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1m8l h SER 41 Cb 0.39 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1m8l h SER 41 CO 0.05 0.70 0.49 -0.07 -0.53 0.00 0.00 176.83 177.47 1m8l h LEU 42 N 1.19 1.10 -0.26 2.23 3.38 -0.93 -0.79 115.31 121.24 1m8l h LEU 42 Ca 0.38 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1m8l h LEU 42 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1m8l h LEU 42 CO -0.12 0.88 0.14 1.23 0.09 0.00 0.00 178.44 180.66 1m8l h GLY 43 N 1.24 0.39 0.79 0.83 0.00 -0.96 0.21 103.07 105.57 1m8l h GLY 43 Ca 0.31 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1m8l h GLY 43 CO -0.05 0.17 0.14 1.46 0.00 0.00 0.00 176.54 178.26 1m8l h GLN 44 N 0.31 0.30 -0.66 4.80 4.20 -0.95 0.46 115.11 123.56 1m8l h GLN 44 Ca 0.09 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1m8l h GLN 44 Cb 0.06 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1m8l h GLN 44 CO -0.01 0.20 0.40 1.25 -0.67 0.00 0.00 178.83 179.99 1m8l h HIS 45 N 0.30 0.75 0.00 2.96 2.76 -1.01 -1.91 115.15 119.00 1m8l h HIS 45 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1m8l h HIS 45 Cb 0.08 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 1m8l h HIS 45 CO -0.12 0.42 -0.08 0.82 -1.30 0.00 0.00 177.93 177.67 1m8l h ILE 46 N 0.78 0.32 0.00 6.26 2.04 -0.19 -0.63 117.51 126.09 1m8l h ILE 46 Ca 0.27 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 1m8l h ILE 46 Cb 0.05 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1m8l h ILE 46 CO -0.12 0.08 -0.48 0.22 0.00 0.00 0.00 178.15 177.85 1m8l h TYR 47 N 0.00 0.00 -0.03 1.37 3.20 -0.10 0.19 116.97 121.60 1m8l h TYR 47 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1m8l h TYR 47 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1m8l h TYR 47 CO 0.00 0.48 -0.16 0.93 -1.64 0.00 0.00 178.16 177.77 1m8l h GLU 48 N 0.00 0.16 -0.17 1.82 5.08 -1.06 -2.83 114.58 117.57 1m8l h GLU 48 Ca -0.00 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1m8l h GLU 48 Cb 0.94 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1m8l h GLU 48 CO 0.06 0.80 -0.26 1.15 -1.00 0.00 0.00 179.01 179.76 1m8l h THR 49 N -0.44 1.34 0.00 1.13 2.02 -1.18 -3.41 112.91 112.37 1m8l h THR 49 Ca -0.01 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.60 1m8l h THR 49 Cb 0.83 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1m8l h THR 49 CO 0.03 0.44 -1.32 -1.22 0.37 0.00 0.00 175.52 173.83 1m8l n TYR 50 N -4.41 0.00 0.00 3.16 4.02 0.57 -5.06 117.16 115.45 1m8l n TYR 50 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1m8l n TYR 50 Cb 0.44 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1m8l n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1m8l n GLY 51 N 2.73 1.04 4.23 2.72 0.00 -0.62 -4.46 105.19 110.83 1m8l n GLY 51 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1m8l n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m8l n ASP 52 N 0.00 0.26 -4.77 1.61 8.00 -1.23 -4.94 116.55 115.48 1m8l n ASP 52 Ca 0.00 -1.19 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 1m8l n ASP 52 Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 1m8l n ASP 52 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1m8l s THR 53 N -4.15 3.03 0.59 -3.53 2.01 -1.26 -4.83 115.64 107.49 1m8l s THR 53 Ca 0.08 0.86 0.29 0.00 0.31 0.00 0.00 61.69 63.23 1m8l s THR 53 Cb -0.05 -3.48 0.38 0.00 0.01 0.00 0.00 72.50 69.36 1m8l s THR 53 CO 0.97 0.08 1.91 -0.50 -0.69 0.00 0.00 174.62 176.39 1m8l h TRP 54 N 2.56 0.00 0.45 4.92 4.06 -1.98 0.10 115.95 126.06 1m8l h TRP 54 Ca -0.49 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.44 1m8l h TRP 54 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1m8l h TRP 54 CO 0.54 0.00 -0.22 1.15 -3.56 0.00 0.00 178.44 176.36 1m8l h THR 55 N 0.00 0.55 -0.22 1.49 2.02 -1.99 -1.79 112.91 112.97 1m8l h THR 55 Ca 0.21 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1m8l h THR 55 Cb 1.13 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1m8l h THR 55 CO -0.00 0.04 -0.17 1.23 0.37 0.00 0.00 175.52 176.99 1m8l h GLY 56 N -0.74 0.40 0.66 2.16 0.00 -1.25 -0.30 103.07 104.00 1m8l h GLY 56 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1m8l h GLY 56 CO 0.10 0.26 -0.15 -2.08 0.00 0.00 0.00 176.54 174.67 1m8l h VAL 57 N 0.34 0.69 -0.78 4.60 2.07 -0.98 0.70 116.25 122.89 1m8l h VAL 57 Ca 0.06 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1m8l h VAL 57 Cb 0.50 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1m8l h VAL 57 CO 0.03 0.11 0.51 -0.33 0.02 0.00 0.00 177.57 177.92 1m8l h GLU 58 N -0.76 1.02 -0.18 1.57 4.39 -1.30 -1.56 114.58 117.77 1m8l h GLU 58 Ca -0.04 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1m8l h GLU 58 Cb 0.50 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1m8l h GLU 58 CO 0.07 0.68 -0.05 0.00 -1.16 0.00 0.00 179.01 178.55 1m8l h ALA 59 N 1.28 0.11 -0.21 3.43 0.00 -1.02 -0.01 119.26 122.84 1m8l h ALA 59 Ca 0.28 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1m8l h ALA 59 Cb -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1m8l h ALA 59 CO -0.06 -0.48 0.05 1.25 0.00 0.00 0.00 179.25 180.01 1m8l h LEU 60 N -0.01 0.03 -0.92 0.00 5.85 -0.53 -1.17 115.31 118.56 1m8l h LEU 60 Ca 0.09 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1m8l h LEU 60 Cb 0.14 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1m8l h LEU 60 CO -0.19 0.05 0.20 0.40 -0.34 0.00 0.00 178.44 178.56 1m8l h ILE 61 N 0.14 1.24 -0.24 4.05 1.08 -1.04 0.52 117.51 123.27 1m8l h ILE 61 Ca 0.10 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1m8l h ILE 61 Cb 0.08 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1m8l h ILE 61 CO -0.12 0.32 0.09 -0.09 -0.69 0.00 0.00 178.15 177.66 1m8l h ARG 62 N 0.96 0.36 -0.45 2.37 9.65 -0.52 0.82 114.38 127.57 1m8l h ARG 62 Ca 0.21 -0.07 -0.13 0.00 -1.10 0.00 0.00 59.98 58.90 1m8l h ARG 62 Cb 0.27 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1m8l h ARG 62 CO -0.01 0.42 -0.21 0.82 2.80 0.00 0.00 179.97 183.79 1m8l h ILE 63 N 0.23 1.27 -0.29 1.20 2.04 -0.94 -1.36 117.51 119.66 1m8l h ILE 63 Ca 0.08 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1m8l h ILE 63 Cb 0.20 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1m8l h ILE 63 CO -0.01 0.47 0.04 0.25 0.00 0.00 0.00 178.15 178.90 1m8l h LEU 64 N 0.78 0.47 -0.29 1.44 7.12 -0.83 0.07 115.31 124.07 1m8l h LEU 64 Ca 0.10 -0.27 0.04 0.00 0.13 0.00 0.00 57.88 57.88 1m8l h LEU 64 Cb 0.78 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.75 1m8l h LEU 64 CO 0.06 0.61 0.08 -0.61 -0.13 0.00 0.00 178.44 178.46 1m8l h GLN 65 N 0.30 0.19 0.20 1.25 4.15 -0.77 0.12 115.11 120.56 1m8l h GLN 65 Ca 0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1m8l h GLN 65 Cb 0.35 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1m8l h GLN 65 CO 0.01 0.12 -0.11 0.37 -1.93 0.00 0.00 178.83 177.29 1m8l h GLN 66 N 0.19 -0.29 -0.72 1.69 5.75 -1.14 0.80 115.11 121.40 1m8l h GLN 66 Ca 0.13 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.76 1m8l h GLN 66 Cb 0.13 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 1m8l h GLN 66 CO -0.16 -0.19 0.35 1.25 -2.65 0.00 0.00 178.83 177.42 1m8l h LEU 67 N -0.30 0.43 0.51 -2.39 6.46 -0.70 -1.64 115.31 117.68 1m8l h LEU 67 Ca -0.02 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1m8l h LEU 67 Cb 0.24 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1m8l h LEU 67 CO 0.03 0.23 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.76 1m8l h LEU 68 N 0.57 -0.58 -1.01 2.25 3.38 -0.53 -3.06 115.31 116.32 1m8l h LEU 68 Ca 0.36 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.61 1m8l h LEU 68 Cb 0.42 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 1m8l h LEU 68 CO -0.30 -0.41 0.59 0.15 0.09 0.00 0.00 178.44 178.57 1m8l h PHE 69 N -0.70 0.99 0.24 1.13 3.57 0.07 0.46 116.94 122.70 1m8l h PHE 69 Ca -0.07 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1m8l h PHE 69 Cb 0.53 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1m8l h PHE 69 CO -0.04 0.01 -0.11 0.82 -2.23 0.00 0.00 178.31 176.75 1m8l h ILE 70 N 0.52 0.82 0.00 1.41 2.04 -1.30 0.15 117.51 121.15 1m8l h ILE 70 Ca 0.67 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 1m8l h ILE 70 Cb 1.34 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1m8l h ILE 70 CO -0.50 0.08 -0.04 0.45 0.00 0.00 0.00 178.15 178.14 1m8l h HIS 71 N -0.50 0.00 0.22 1.37 3.86 -0.65 -1.63 115.15 117.82 1m8l h HIS 71 Ca -0.03 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.85 1m8l h HIS 71 Cb 0.37 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.87 1m8l h HIS 71 CO -0.01 0.04 -1.49 0.35 0.86 0.00 0.00 177.93 177.67 1m8l h PHE 72 N 0.00 0.86 0.20 2.45 3.04 -0.14 0.30 116.94 123.66 1m8l h PHE 72 Ca -0.00 -0.63 -0.01 0.00 3.98 0.00 0.00 57.97 61.31 1m8l h PHE 72 Cb 0.58 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1m8l h PHE 72 CO 0.00 1.58 -0.10 -0.09 -2.02 0.00 0.00 178.31 177.68 1m8l h ARG 73 N 0.07 -0.26 -0.31 1.11 2.43 -0.73 0.72 114.38 117.41 1m8l h ARG 73 Ca -0.27 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 1m8l h ARG 73 Cb 2.09 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.67 1m8l h ARG 73 CO 0.23 -0.09 0.09 0.82 -1.51 0.00 0.00 179.97 179.51 1m8l h ILE 74 N -0.38 0.89 -0.93 1.20 2.04 -1.40 -1.98 117.51 116.95 1m8l h ILE 74 Ca -0.03 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 65.87 1m8l h ILE 74 Cb 0.29 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1m8l h ILE 74 CO 0.05 0.04 0.60 1.23 0.00 0.00 0.00 178.15 180.06 1m8l h GLY 75 N 0.22 1.40 0.57 5.37 0.00 -0.70 0.26 103.07 110.19 1m8l h GLY 75 Ca 0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1m8l h GLY 75 CO -0.16 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1m8l n ARG 77 N -4.90 0.00 -2.35 0.00 3.00 -0.79 -4.80 116.66 106.82 1m8l n ARG 77 Ca -0.08 0.41 -0.41 0.00 -0.00 0.00 0.00 57.85 57.77 1m8l n ARG 77 Cb 0.23 -1.17 -0.03 0.00 0.00 0.00 0.00 32.46 31.48 1m8l n ARG 77 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1m8l s HIS 78 N -1.76 3.40 0.10 -0.14 3.76 0.87 -4.97 115.29 116.55 1m8l s HIS 78 Ca 0.00 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.02 1m8l s HIS 78 Cb 0.00 -3.45 -0.12 0.00 1.11 0.00 0.00 32.58 30.11 1m8l s HIS 78 CO 0.00 -1.28 1.62 1.03 -0.85 0.00 0.00 174.74 175.26 1m8l h SER 79 N 5.14 -0.91 -6.50 1.40 0.87 -1.83 -3.38 113.55 108.35 1m8l h SER 79 Ca -0.45 0.08 -0.42 0.00 -1.23 0.00 0.00 61.79 59.78 1m8l h SER 79 Cb 1.21 0.31 0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1m8l h SER 79 CO 0.74 -0.46 -0.89 -1.14 -0.53 0.00 0.00 176.83 174.55 1m8l n ARG 80 N -5.44 -1.31 -1.45 2.24 0.63 -1.26 -4.82 116.66 105.25 1m8l n ARG 80 Ca -0.09 0.76 -0.40 0.00 -0.92 0.00 0.00 57.85 57.21 1m8l n ARG 80 Cb 0.35 -3.07 -0.02 0.00 0.45 0.00 0.00 32.46 30.17 1m8l n ARG 80 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1m8l n ILE 81 N -2.95 3.81 -2.77 5.15 5.41 -1.26 -4.13 119.36 122.63 1m8l n ILE 81 Ca -0.22 -2.67 -0.15 0.00 1.00 0.00 0.00 62.75 60.71 1m8l n ILE 81 Cb 0.64 -2.58 0.02 0.00 -0.71 0.00 0.00 39.64 37.01 1m8l n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1m8l n GLY 82 N 3.83 -0.10 2.74 7.39 0.00 -1.26 -4.93 105.19 112.85 1m8l n GLY 82 Ca 0.66 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1m8l n GLY 82 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1m8l n ILE 83 N -4.08 4.71 0.03 -0.61 5.41 -1.26 -4.66 119.36 118.90 1m8l n ILE 83 Ca -0.07 -4.47 -0.12 0.00 1.00 0.00 0.00 62.75 59.09 1m8l n ILE 83 Cb 0.58 -2.24 -0.09 0.00 -0.71 0.00 0.00 39.64 37.17 1m8l n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1m8l h ILE 84 N 3.33 1.15 -3.92 1.39 2.04 -1.91 -3.44 117.51 116.15 1m8l h ILE 84 Ca 0.49 -1.11 -0.53 0.00 1.00 0.00 0.00 64.86 64.71 1m8l h ILE 84 Cb 0.52 1.83 0.08 0.00 -0.74 0.00 0.00 36.82 38.51 1m8l h ILE 84 CO 1.56 0.26 0.64 -1.58 0.00 0.00 0.00 178.15 179.03 1m8l s GLN 85 N -3.99 4.16 0.23 2.37 0.74 -1.26 -4.94 119.66 116.97 1m8l s GLN 85 Ca -0.15 2.22 -0.09 0.00 0.05 0.00 0.00 55.36 57.40 1m8l s GLN 85 Cb 0.01 -2.92 0.37 0.00 1.10 0.00 0.00 33.01 31.57 1m8l s GLN 85 CO 0.60 -0.35 1.65 -0.56 -0.55 0.00 0.00 175.29 176.07 1m8l h GLN 86 N 3.03 0.11 -6.09 1.67 3.07 -1.97 -3.39 115.11 111.54 1m8l h GLN 86 Ca -0.49 -0.01 -0.56 0.00 0.09 0.00 0.00 58.65 57.68 1m8l h GLN 86 Cb 1.24 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.74 1m8l h GLN 86 CO 0.64 0.07 -0.41 1.03 0.09 0.00 0.00 178.83 180.25 1m8l s ARG 87 N -6.13 3.49 0.04 0.06 3.00 -1.26 -5.04 118.95 113.11 1m8l s ARG 87 Ca -0.13 -0.41 -0.25 0.00 0.00 0.00 0.00 55.73 54.93 1m8l s ARG 87 Cb 0.21 -2.93 -0.17 0.00 0.00 0.00 0.00 34.95 32.06 1m8l s ARG 87 CO 0.75 0.50 1.52 -0.09 0.00 0.00 0.00 175.30 177.97 1m8l h ARG 88 N 2.42 -0.18 0.00 3.54 9.65 -1.98 -3.40 114.38 124.43 1m8l h ARG 88 Ca -0.47 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1m8l h ARG 88 Cb 1.18 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1m8l h ARG 88 CO 0.71 0.03 0.00 0.25 2.80 0.00 0.00 179.97 183.76 1m8l n THR 89 N -5.09 0.00 -3.74 0.20 -2.24 -1.26 -4.98 114.28 97.18 1m8l n THR 89 Ca -0.09 0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1m8l n THR 89 Cb 0.17 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 67.41 1m8l n THR 89 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1m8l s ARG 90 N -0.60 0.05 0.72 -0.78 3.00 -1.26 -5.14 118.95 114.94 1m8l s ARG 90 Ca 0.00 0.36 -0.16 0.00 -1.00 0.00 0.00 55.73 54.93 1m8l s ARG 90 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 34.95 34.70 1m8l s ARG 90 CO 0.00 -0.19 0.57 0.27 0.00 0.00 0.00 175.30 175.95 1m8l n ASN 91 N 4.39 -1.04 0.00 -2.12 0.23 -1.26 -3.69 115.26 111.77 1m8l n ASN 91 Ca -0.23 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 1m8l n ASN 91 Cb 0.51 -1.23 0.00 0.00 -2.08 0.00 0.00 39.78 36.98 1m8l n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1m8l n GLY 92 N 1.60 2.31 5.04 4.83 0.00 -1.26 -4.92 105.19 112.78 1m8l n GLY 92 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1m8l n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8l n ALA 93 N 0.03 0.00 -3.49 4.61 0.00 -1.24 -3.84 120.51 116.58 1m8l n ALA 93 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1m8l n ALA 93 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1m8l n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1m8l s SER 94 N -4.00 -0.59 -1.07 0.00 0.15 -1.26 -4.95 113.70 101.98 1m8l s SER 94 Ca 0.00 1.09 -0.16 0.00 0.70 0.00 0.00 55.95 57.59 1m8l s SER 94 Cb 0.00 1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 65.37 1m8l s SER 94 CO 0.00 -0.19 0.80 1.17 1.20 0.00 0.00 173.24 176.22 1m8l n LYS 95 N 3.12 -1.42 0.00 5.44 4.81 -1.26 -5.22 118.16 123.63 1m8l n LYS 95 Ca -0.15 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1m8l n LYS 95 Cb 0.56 -4.45 0.00 0.00 0.02 0.00 0.00 35.03 31.16 1m8l n LYS 95 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00