#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b76 n ILE 1 N 0.00 1.59 -1.16 3.17 5.41 -1.26 -5.08 119.36 122.04 2b76 n ILE 1 Ca 0.00 -3.07 0.00 0.00 1.00 0.00 0.00 62.75 60.68 2b76 n ILE 1 Cb 0.00 0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 2b76 n ILE 1 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2b76 n ASN 2 N -0.53 -2.43 -0.38 4.38 5.15 -1.26 -4.78 115.26 115.42 2b76 n ASN 2 Ca 0.20 0.40 -0.09 0.00 -0.60 0.00 0.00 54.58 54.49 2b76 n ASN 2 Cb 0.90 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 39.46 2b76 n ASN 2 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2b76 h PRO 3 N 3.29 -0.04 -5.22 1.20 0.11 -2.10 -3.35 132.00 125.89 2b76 h PRO 3 Ca 0.00 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.46 2b76 h PRO 3 Cb 0.00 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 30.87 2b76 h PRO 3 CO 0.00 -0.03 -0.71 1.21 -0.21 0.00 0.00 178.00 178.26 2b76 s ASN 4 N -5.41 4.43 0.26 -2.05 2.47 -1.26 -5.12 114.94 108.25 2b76 s ASN 4 Ca -0.13 -0.26 0.10 0.00 0.42 0.00 0.00 52.86 52.99 2b76 s ASN 4 Cb 0.13 -1.72 -0.04 0.00 -1.45 0.00 0.00 41.25 38.17 2b76 s ASN 4 CO 0.65 0.11 -0.04 -2.16 -3.72 0.00 0.00 177.10 171.94 2b76 s PRO 5 N 0.67 2.19 -0.22 0.43 0.04 -1.26 -5.12 135.00 131.74 2b76 s PRO 5 Ca -0.04 -1.46 -0.21 0.00 0.04 0.00 0.00 61.00 59.34 2b76 s PRO 5 Cb -0.15 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2b76 s PRO 5 CO 0.02 0.36 0.64 0.21 0.04 0.00 0.00 177.00 178.28 2b76 s LYS 6 N -3.61 4.18 -0.39 4.56 2.20 -1.26 -4.98 119.74 120.43 2b76 s LYS 6 Ca 0.31 0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 56.25 2b76 s LYS 6 Cb -0.06 -3.61 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 2b76 s LYS 6 CO 0.19 -0.31 2.34 -2.13 -0.36 0.00 0.00 175.35 175.08 2b76 n ARG 7 N 5.32 1.36 -0.65 4.03 0.63 -1.26 -4.91 116.66 121.18 2b76 n ARG 7 Ca -0.01 0.23 -0.31 0.00 -0.92 0.00 0.00 57.85 56.84 2b76 n ARG 7 Cb 0.49 -3.21 0.18 0.00 0.45 0.00 0.00 32.46 30.37 2b76 n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2b76 n SER 8 N 13.62 -0.76 -0.62 6.15 2.88 -1.26 -4.91 113.62 128.72 2b76 n SER 8 Ca 0.36 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 58.21 2b76 n SER 8 Cb 0.46 -1.34 0.08 0.00 -0.75 0.00 0.00 64.21 62.65 2b76 n SER 8 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2b76 n ASP 9 N -3.71 2.33 0.32 -3.46 5.75 -1.26 -4.64 116.55 111.89 2b76 n ASP 9 Ca 0.08 -1.66 0.16 0.00 -0.01 0.00 0.00 54.79 53.37 2b76 n ASP 9 Cb 0.53 -0.03 0.86 0.00 -1.03 0.00 0.00 41.12 41.45 2b76 n ASP 9 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2b76 h GLU 10 N 2.88 0.00 -0.38 0.11 4.39 -2.01 -2.73 114.58 116.84 2b76 h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b76 h GLU 10 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2b76 h GLU 10 CO 0.00 0.00 0.00 -0.35 -1.16 0.00 0.00 179.01 177.50 2b76 n PRO 11 N -2.96 0.50 -0.05 2.33 -0.04 -1.26 -1.95 135.00 131.58 2b76 n PRO 11 Ca -0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2b76 n PRO 11 Cb 0.36 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 2b76 n PRO 11 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2b76 n VAL 12 N 0.06 1.31 -0.18 0.52 3.14 -1.03 -3.50 118.33 118.65 2b76 n VAL 12 Ca 0.00 0.23 0.05 0.00 -2.96 0.00 0.00 64.34 61.66 2b76 n VAL 12 Cb 0.09 -2.08 0.34 0.00 -1.06 0.00 0.00 33.84 31.13 2b76 n VAL 12 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 2b76 h PHE 13 N -0.67 0.79 0.36 1.45 0.04 -1.74 -1.36 116.94 115.81 2b76 h PHE 13 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2b76 h PHE 13 Cb 0.67 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2b76 h PHE 13 CO -0.29 0.43 -0.17 2.35 -0.60 0.00 0.00 178.31 180.03 2b76 h TRP 14 N 0.79 -0.45 -0.49 -0.55 7.01 -1.63 -0.54 115.95 120.10 2b76 h TRP 14 Ca 0.30 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.39 2b76 h TRP 14 Cb 0.18 0.15 -0.10 0.00 -2.10 0.00 0.00 29.16 27.28 2b76 h TRP 14 CO -0.00 -0.21 -0.24 0.78 -2.79 0.00 0.00 178.44 175.98 2b76 h GLY 15 N -0.59 0.09 0.00 2.65 0.00 -1.34 0.14 103.07 104.02 2b76 h GLY 15 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2b76 h GLY 15 CO 0.08 -0.21 0.00 1.04 0.00 0.00 0.00 176.54 177.45 2b76 n LEU 16 N -5.41 0.00 -0.11 3.11 4.77 -0.61 -1.88 117.00 116.87 2b76 n LEU 16 Ca 0.04 0.75 0.10 0.00 -0.03 0.00 0.00 56.01 56.87 2b76 n LEU 16 Cb 0.32 -0.25 0.18 0.00 -2.33 0.00 0.00 43.42 41.34 2b76 n LEU 16 CO 0.07 -0.25 0.32 0.33 -1.33 0.00 0.00 177.39 176.53 2b76 n PHE 17 N -1.63 0.30 0.00 -1.77 7.35 -0.23 0.11 117.46 121.59 2b76 n PHE 17 Ca 0.00 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2b76 n PHE 17 Cb 0.00 -0.74 0.00 0.00 0.35 0.00 0.00 39.48 39.09 2b76 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2b76 n GLY 18 N -1.10 -2.78 0.33 7.13 0.00 0.45 0.25 105.19 109.47 2b76 n GLY 18 Ca 0.11 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.29 2b76 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b76 n ALA 19 N -1.50 0.14 -1.00 4.61 0.00 0.29 -1.68 120.51 121.37 2b76 n ALA 19 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.41 2b76 n ALA 19 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2b76 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b76 n GLY 20 N -1.53 -2.46 0.30 0.00 0.00 -0.30 -1.82 105.19 99.39 2b76 n GLY 20 Ca 0.13 0.44 0.30 0.00 0.00 0.00 0.00 46.02 46.89 2b76 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b76 n GLY 21 N -0.60 -0.71 0.27 -0.02 0.00 0.14 -0.71 105.19 103.56 2b76 n GLY 21 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 46.02 46.67 2b76 n GLY 21 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2b76 h MET 22 N 0.00 0.93 0.35 1.61 4.05 -1.08 -2.48 114.93 118.31 2b76 h MET 22 Ca 0.81 -0.39 -0.02 0.00 -0.28 0.00 0.00 59.70 59.81 2b76 h MET 22 Cb 2.14 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.91 2b76 h MET 22 CO -0.73 1.05 -0.17 2.35 0.23 0.00 0.00 176.91 179.65 2b76 h TRP 23 N 0.77 -0.44 0.00 1.39 2.91 -0.13 -2.30 115.95 118.15 2b76 h TRP 23 Ca 0.10 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2b76 h TRP 23 Cb 0.76 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 2b76 h TRP 23 CO 0.05 -0.15 0.02 -1.13 -1.03 0.00 0.00 178.44 176.20 2b76 n SER 24 N -5.10 0.00 -0.01 2.65 3.41 -0.69 -1.21 113.62 112.67 2b76 n SER 24 Ca -0.08 0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.62 2b76 n SER 24 Cb 0.25 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 2b76 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b76 n ALA 25 N -0.90 2.37 -0.13 7.33 0.00 -0.90 -4.02 120.51 124.27 2b76 n ALA 25 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 2b76 n ALA 25 Cb 0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 2b76 n ALA 25 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2b76 n ILE 26 N -1.92 1.51 0.25 0.00 5.41 -0.35 -4.75 119.36 119.52 2b76 n ILE 26 Ca -0.03 -0.27 0.12 0.00 1.00 0.00 0.00 62.75 63.56 2b76 n ILE 26 Cb 0.33 -1.98 0.07 0.00 -0.71 0.00 0.00 39.64 37.35 2b76 n ILE 26 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2b76 h ILE 27 N -0.99 0.00 0.00 1.39 1.08 -1.76 -3.40 117.51 113.83 2b76 h ILE 27 Ca -0.55 -0.85 -0.16 0.00 -0.39 0.00 0.00 64.86 62.90 2b76 h ILE 27 Cb 1.48 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 2b76 h ILE 27 CO -0.34 0.00 -0.77 0.00 -0.69 0.00 0.00 178.15 176.35 2b76 h ALA 28 N 2.15 0.60 -0.37 1.87 0.00 -1.70 -3.24 119.26 118.57 2b76 h ALA 28 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.05 2b76 h ALA 28 Cb 0.93 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2b76 h ALA 28 CO 0.00 0.96 -0.38 -1.00 0.00 0.00 0.00 179.25 178.83 2b76 h PRO 29 N 0.00 0.92 -0.74 0.00 0.13 -1.81 -2.59 132.00 127.91 2b76 h PRO 29 Ca -0.01 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2b76 h PRO 29 Cb 1.48 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.59 2b76 h PRO 29 CO 0.10 1.14 0.47 -0.24 -0.23 0.00 0.00 178.00 179.24 2b76 h VAL 30 N 0.74 1.20 -0.03 1.56 3.04 -1.83 -2.28 116.25 118.65 2b76 h VAL 30 Ca 0.06 -0.40 -0.15 0.00 -1.01 0.00 0.00 66.70 65.20 2b76 h VAL 30 Cb 0.98 0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2b76 h VAL 30 CO 0.10 0.20 -0.67 0.24 -1.01 0.00 0.00 177.57 176.43 2b76 h MET 31 N 1.01 0.12 0.56 4.17 2.86 -1.57 -2.06 114.93 120.01 2b76 h MET 31 Ca 0.27 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2b76 h MET 31 Cb -0.08 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2b76 h MET 31 CO -0.05 0.74 -0.32 0.82 1.06 0.00 0.00 176.91 179.15 2b76 h ILE 32 N 0.08 0.34 -0.97 -1.22 2.04 -1.25 -0.74 117.51 115.79 2b76 h ILE 32 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2b76 h ILE 32 Cb 1.19 0.34 -0.15 0.00 -0.74 0.00 0.00 36.82 37.47 2b76 h ILE 32 CO 0.09 0.00 -0.43 -0.11 0.00 0.00 0.00 178.15 177.71 2b76 n LEU 33 N -5.46 -0.73 0.00 1.44 7.94 -0.88 0.26 117.00 119.57 2b76 n LEU 33 Ca -0.12 1.70 0.00 0.00 -1.11 0.00 0.00 56.01 56.47 2b76 n LEU 33 Cb 0.35 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2b76 n LEU 33 CO 0.35 -1.49 0.21 0.18 -1.11 0.00 0.00 177.39 175.54 2b76 n LEU 34 N -5.37 0.69 -0.34 -1.96 4.77 -0.81 0.23 117.00 114.21 2b76 n LEU 34 Ca 0.08 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2b76 n LEU 34 Cb 0.35 -0.07 0.30 0.00 -2.33 0.00 0.00 43.42 41.67 2b76 n LEU 34 CO -0.14 -0.07 1.22 0.58 -1.33 0.00 0.00 177.39 177.65 2b76 h VAL 35 N 0.00 0.82 0.14 4.08 2.07 -1.04 0.61 116.25 122.93 2b76 h VAL 35 Ca 0.00 -0.29 -0.28 0.00 0.82 0.00 0.00 66.70 66.95 2b76 h VAL 35 Cb 0.00 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.68 2b76 h VAL 35 CO 0.00 0.15 -1.26 1.23 0.02 0.00 0.00 177.57 177.72 2b76 h GLY 36 N 0.84 0.38 0.00 2.17 0.00 0.35 -3.41 103.07 103.41 2b76 h GLY 36 Ca 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2b76 h GLY 36 CO -0.30 0.82 0.00 1.39 0.00 0.00 0.00 176.54 178.46 2b76 n ILE 37 N -3.59 0.00 -0.36 2.60 -0.00 -0.75 -4.75 119.36 112.51 2b76 n ILE 37 Ca -0.10 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.67 2b76 n ILE 37 Cb 1.02 -0.88 0.08 0.00 -0.00 0.00 0.00 39.64 39.86 2b76 n ILE 37 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2b76 n LEU 38 N -2.21 -0.52 0.07 1.39 4.77 0.14 -0.79 117.00 119.86 2b76 n LEU 38 Ca 0.00 1.68 -0.06 0.00 -0.03 0.00 0.00 56.01 57.60 2b76 n LEU 38 Cb 0.00 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2b76 n LEU 38 CO 0.00 -1.55 0.51 0.25 -1.33 0.00 0.00 177.39 175.27 2b76 h LEU 39 N 0.00 -0.49 -0.26 2.23 5.85 0.03 -2.67 115.31 119.99 2b76 h LEU 39 Ca 0.39 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2b76 h LEU 39 Cb 0.63 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2b76 h LEU 39 CO -0.97 -0.21 0.00 -0.81 -0.34 0.00 0.00 178.44 176.11 2b76 n PRO 40 N -3.39 1.18 -0.39 5.25 -0.04 -1.07 -2.18 135.00 134.36 2b76 n PRO 40 Ca -0.04 -0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.22 2b76 n PRO 40 Cb 0.15 -1.34 0.23 0.00 -0.04 0.00 0.00 33.50 32.50 2b76 n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2b76 n LEU 41 N -0.54 3.17 0.00 1.53 4.77 0.03 -4.88 117.00 121.09 2b76 n LEU 41 Ca 0.16 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2b76 n LEU 41 Cb 0.13 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2b76 n LEU 41 CO 0.12 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2b76 n GLY 42 N 0.88 0.00 2.52 -0.72 0.00 -0.93 -4.85 105.19 102.09 2b76 n GLY 42 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2b76 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2b76 n LEU 43 N 0.00 6.93 -3.70 0.99 4.77 -1.16 -4.75 117.00 120.07 2b76 n LEU 43 Ca 0.00 -3.74 -0.12 0.00 -0.03 0.00 0.00 56.01 52.12 2b76 n LEU 43 Cb 0.00 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 39.58 2b76 n LEU 43 CO 0.00 1.30 -0.08 0.72 -1.33 0.00 0.00 177.39 177.99 2b76 s PHE 44 N 2.92 -0.43 0.28 -1.77 -0.12 -1.26 -4.88 117.98 112.71 2b76 s PHE 44 Ca 0.56 0.96 -0.24 0.00 -0.05 0.00 0.00 56.93 58.17 2b76 s PHE 44 Cb 0.15 0.09 -0.16 0.00 -0.63 0.00 0.00 43.02 42.47 2b76 s PHE 44 CO -0.04 -0.29 0.31 -0.35 -0.05 0.00 0.00 175.22 174.80 2b76 n PRO 45 N 4.53 0.00 0.00 1.99 -0.04 -1.26 -4.80 135.00 135.41 2b76 n PRO 45 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2b76 n PRO 45 Cb 0.53 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2b76 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b76 n GLY 46 N 2.05 1.00 2.69 0.55 0.00 -1.26 -3.53 105.19 106.68 2b76 n GLY 46 Ca 0.14 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2b76 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b76 n ASP 47 N -0.73 4.90 -0.11 1.61 9.92 -1.26 -4.72 116.55 126.16 2b76 n ASP 47 Ca 0.00 -3.43 0.04 0.00 -0.53 0.00 0.00 54.79 50.88 2b76 n ASP 47 Cb 0.00 -0.93 -0.02 0.00 -0.64 0.00 0.00 41.12 39.52 2b76 n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2b76 n ALA 48 N 1.09 2.96 -3.25 2.24 0.00 -1.23 -4.72 120.51 117.60 2b76 n ALA 48 Ca 0.28 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 2b76 n ALA 48 Cb 0.38 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 2b76 n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2b76 n LEU 49 N -0.72 0.27 -3.83 0.00 4.77 -1.26 -4.64 117.00 111.59 2b76 n LEU 49 Ca 0.03 -4.68 -0.12 0.00 -0.03 0.00 0.00 56.01 51.21 2b76 n LEU 49 Cb 0.17 0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 2b76 n LEU 49 CO 0.14 2.03 -0.08 -0.94 -1.33 0.00 0.00 177.39 177.21 2b76 s SER 50 N -1.03 -0.05 0.00 -1.43 1.04 -1.26 -4.96 113.70 106.01 2b76 s SER 50 Ca 0.35 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2b76 s SER 50 Cb 0.14 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2b76 s SER 50 CO -0.12 -0.45 0.14 0.00 0.98 0.00 0.00 173.24 173.79 2b76 n TYR 51 N 1.16 0.00 -0.04 5.02 9.36 -1.26 0.23 117.16 131.63 2b76 n TYR 51 Ca -0.21 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.00 2b76 n TYR 51 Cb 0.57 -0.04 -0.01 0.00 -0.63 0.00 0.00 39.34 39.22 2b76 n TYR 51 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2b76 n GLU 52 N -1.26 -0.04 -0.01 2.98 4.71 -1.26 -1.76 120.64 124.00 2b76 n GLU 52 Ca 0.00 0.37 -0.12 0.00 -0.01 0.00 0.00 57.16 57.40 2b76 n GLU 52 Cb 0.00 -0.56 -0.08 0.00 -1.01 0.00 0.00 31.44 29.79 2b76 n GLU 52 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2b76 h ARG 53 N 0.00 0.09 -0.27 3.49 2.43 -0.54 -3.04 114.38 116.53 2b76 h ARG 53 Ca 0.02 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2b76 h ARG 53 Cb 0.04 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 2b76 h ARG 53 CO -0.10 0.38 -0.22 0.28 -1.51 0.00 0.00 179.97 178.81 2b76 h VAL 54 N -0.21 0.42 -0.82 0.20 2.07 -0.56 -0.89 116.25 116.46 2b76 h VAL 54 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2b76 h VAL 54 Cb 0.34 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2b76 h VAL 54 CO 0.00 0.00 0.54 0.25 0.02 0.00 0.00 177.57 178.38 2b76 h LEU 55 N -0.21 0.49 0.29 2.57 5.85 -1.40 0.13 115.31 123.03 2b76 h LEU 55 Ca 0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2b76 h LEU 55 Cb 0.43 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2b76 h LEU 55 CO -0.40 0.25 -0.37 0.00 -0.34 0.00 0.00 178.44 177.58 2b76 h ALA 56 N 1.62 -1.00 0.24 1.25 0.00 -1.04 0.32 119.26 120.65 2b76 h ALA 56 Ca 0.41 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2b76 h ALA 56 Cb 0.82 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2b76 h ALA 56 CO -0.16 -1.04 -0.46 0.35 0.00 0.00 0.00 179.25 177.95 2b76 h PHE 57 N -0.68 -1.29 -0.26 0.00 3.57 -1.28 -0.49 116.94 116.50 2b76 h PHE 57 Ca -0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2b76 h PHE 57 Cb 0.61 0.53 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 2b76 h PHE 57 CO -0.26 -0.58 -0.38 0.00 -2.23 0.00 0.00 178.31 174.86 2b76 h ALA 58 N -0.44 -0.64 -0.85 2.41 0.00 -0.71 -0.93 119.26 118.10 2b76 h ALA 58 Ca -0.01 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2b76 h ALA 58 Cb 0.75 0.99 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2b76 h ALA 58 CO -0.19 -0.82 0.59 1.96 0.00 0.00 0.00 179.25 180.80 2b76 h GLN 59 N -0.28 0.14 -5.50 0.00 4.20 0.05 -3.31 115.11 110.41 2b76 h GLN 59 Ca 0.05 -0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.14 2b76 h GLN 59 Cb 0.41 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.04 2b76 h GLN 59 CO -0.40 0.09 0.13 -1.54 -0.67 0.00 0.00 178.83 176.45 2b76 s SER 60 N -5.70 6.57 0.00 1.46 1.04 -0.23 -4.88 113.70 111.95 2b76 s SER 60 Ca -0.06 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2b76 s SER 60 Cb 0.22 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2b76 s SER 60 CO 0.77 -0.35 0.00 0.33 0.98 0.00 0.00 173.24 174.97 2b76 n PHE 61 N 5.62 0.00 0.35 5.02 7.35 -1.26 0.71 117.46 135.24 2b76 n PHE 61 Ca -0.01 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.70 2b76 n PHE 61 Cb 0.49 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.42 2b76 n PHE 61 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 2b76 n ILE 62 N -0.80 0.00 0.15 -2.13 -6.64 -1.26 0.18 119.36 108.85 2b76 n ILE 62 Ca 0.00 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 61.00 2b76 n ILE 62 Cb 0.00 -0.72 -0.01 0.00 -1.44 0.00 0.00 39.64 37.48 2b76 n ILE 62 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2b76 n GLY 63 N -0.52 0.06 0.12 3.28 0.00 0.22 -3.72 105.19 104.63 2b76 n GLY 63 Ca 0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2b76 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b76 n ARG 64 N -0.63 0.60 -0.17 1.61 1.74 0.46 -3.08 116.66 117.20 2b76 n ARG 64 Ca 0.01 0.43 -0.08 0.00 -0.77 0.00 0.00 57.85 57.44 2b76 n ARG 64 Cb 0.06 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 29.85 2b76 n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2b76 h VAL 65 N -0.80 1.18 -0.24 1.55 2.07 -0.39 -3.05 116.25 116.56 2b76 h VAL 65 Ca -0.47 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 66.60 2b76 h VAL 65 Cb 1.52 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2b76 h VAL 65 CO -0.22 0.20 -0.09 0.15 0.02 0.00 0.00 177.57 177.63 2b76 h PHE 66 N 0.65 -0.21 0.00 1.57 3.57 -1.71 -2.49 116.94 118.32 2b76 h PHE 66 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2b76 h PHE 66 Cb 0.10 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2b76 h PHE 66 CO -0.01 -0.15 0.00 -0.07 -2.23 0.00 0.00 178.31 175.85 2b76 h LEU 67 N -0.05 0.00 0.00 0.59 3.38 -1.54 -1.83 115.31 115.87 2b76 h LEU 67 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2b76 h LEU 67 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2b76 h LEU 67 CO -0.28 0.00 0.00 0.33 0.09 0.00 0.00 178.44 178.58 2b76 n PHE 68 N -2.93 0.00 -0.31 1.13 7.35 -0.97 -1.98 117.46 119.75 2b76 n PHE 68 Ca 0.02 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.88 2b76 n PHE 68 Cb 0.37 -0.42 0.36 0.00 0.35 0.00 0.00 39.48 40.14 2b76 n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2b76 h LEU 69 N 0.00 0.17 -1.80 -2.13 3.38 -1.47 0.41 115.31 113.87 2b76 h LEU 69 Ca 0.00 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2b76 h LEU 69 Cb 0.00 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2b76 h LEU 69 CO 0.00 -0.16 -0.12 -0.03 0.09 0.00 0.00 178.44 178.22 2b76 h MET 70 N 0.24 0.00 0.00 1.13 4.05 -1.36 -2.84 114.93 116.15 2b76 h MET 70 Ca 0.62 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.04 2b76 h MET 70 Cb 1.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 2b76 h MET 70 CO -0.65 0.12 -0.35 0.82 0.23 0.00 0.00 176.91 177.08 2b76 h ILE 71 N 0.00 0.00 0.00 1.77 2.04 0.33 -3.41 117.51 118.24 2b76 h ILE 71 Ca -0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2b76 h ILE 71 Cb 0.40 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2b76 h ILE 71 CO 0.02 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.69 2b76 n VAL 72 N -4.46 0.00 0.01 1.67 0.31 0.33 -2.85 118.33 113.33 2b76 n VAL 72 Ca -0.05 1.45 -0.14 0.00 -0.01 0.00 0.00 64.34 65.59 2b76 n VAL 72 Cb 0.18 -2.18 -0.08 0.00 -0.91 0.00 0.00 33.84 30.86 2b76 n VAL 72 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2b76 h LEU 73 N 0.00 -1.49 -1.60 7.52 3.38 -1.74 1.27 115.31 122.65 2b76 h LEU 73 Ca 0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2b76 h LEU 73 Cb 0.00 0.59 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2b76 h LEU 73 CO 0.00 -0.46 0.49 -0.65 0.09 0.00 0.00 178.44 177.91 2b76 h PRO 74 N -0.55 0.00 0.21 1.13 0.11 -1.75 0.79 132.00 131.94 2b76 h PRO 74 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2b76 h PRO 74 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2b76 h PRO 74 CO -0.40 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.22 2b76 h LEU 75 N 0.00 -0.23 -0.10 2.35 3.38 0.17 -2.91 115.31 117.96 2b76 h LEU 75 Ca 0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2b76 h LEU 75 Cb 1.01 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2b76 h LEU 75 CO -0.00 0.16 -0.21 -0.50 0.09 0.00 0.00 178.44 177.98 2b76 h TRP 76 N -0.93 -0.62 -0.07 1.13 4.06 0.32 0.25 115.95 120.09 2b76 h TRP 76 Ca -0.03 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.95 2b76 h TRP 76 Cb 0.21 0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 2b76 h TRP 76 CO 0.01 -0.19 -0.04 0.00 -3.56 0.00 0.00 178.44 174.65 2b76 h GLY 78 N 0.00 0.40 0.91 0.00 0.00 -1.28 -1.96 103.07 101.14 2b76 h GLY 78 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2b76 h GLY 78 CO -0.07 0.14 -0.07 1.41 0.00 0.00 0.00 176.54 177.96 2b76 h LEU 79 N 0.38 0.62 -0.01 3.11 3.38 0.28 -1.70 115.31 121.37 2b76 h LEU 79 Ca 0.10 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2b76 h LEU 79 Cb -0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2b76 h LEU 79 CO -0.02 0.83 -0.20 -0.74 0.09 0.00 0.00 178.44 178.40 2b76 h HIS 80 N 0.40 -0.53 -0.98 1.13 2.76 -0.96 -0.87 115.15 116.10 2b76 h HIS 80 Ca 0.08 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2b76 h HIS 80 Cb 0.55 0.24 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 2b76 h HIS 80 CO 0.05 -0.29 0.64 0.00 -1.30 0.00 0.00 177.93 177.03 2b76 h ARG 81 N -0.32 1.15 0.00 5.26 3.08 -1.18 -1.75 114.38 120.62 2b76 h ARG 81 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2b76 h ARG 81 Cb 0.40 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2b76 h ARG 81 CO -0.20 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2b76 n MET 82 N -4.47 0.23 0.00 0.04 0.00 -0.66 -0.39 117.12 111.88 2b76 n MET 82 Ca 0.14 0.23 0.00 0.00 0.00 0.00 0.00 57.70 58.07 2b76 n MET 82 Cb 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.57 2b76 n MET 82 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2b76 n HIS 83 N -2.21 0.00 -0.22 3.17 -0.00 -0.38 -2.61 115.22 112.97 2b76 n HIS 83 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.73 2b76 n HIS 83 Cb 0.39 -0.20 0.01 0.00 -0.00 0.00 0.00 29.99 30.19 2b76 n HIS 83 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2b76 h HIS 84 N 0.00 -0.92 0.00 1.57 -0.00 -1.53 0.42 115.15 114.68 2b76 h HIS 84 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2b76 h HIS 84 Cb 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2b76 h HIS 84 CO 0.08 -0.38 0.39 0.00 -0.00 0.00 0.00 177.93 178.02 2b76 n ALA 85 N -3.18 0.41 -0.07 2.45 0.00 0.47 0.08 120.51 120.67 2b76 n ALA 85 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2b76 n ALA 85 Cb 0.36 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 2b76 n ALA 85 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2b76 h MET 86 N 0.00 0.00 0.51 0.00 4.05 0.10 -3.31 114.93 116.28 2b76 h MET 86 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2b76 h MET 86 Cb 0.78 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2b76 h MET 86 CO 0.00 0.77 -0.25 1.25 0.23 0.00 0.00 176.91 178.91 2b76 h HIS 87 N -1.00 -0.64 0.00 1.39 -0.00 -0.38 -1.32 115.15 113.20 2b76 h HIS 87 Ca -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2b76 h HIS 87 Cb 0.84 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 2b76 h HIS 87 CO 0.18 -0.37 0.63 -0.25 -0.00 0.00 0.00 177.93 178.11 2b76 n ASP 88 N -5.36 0.03 -0.00 3.26 9.92 -0.35 0.34 116.55 124.38 2b76 n ASP 88 Ca -0.12 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2b76 n ASP 88 Cb 0.30 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2b76 n ASP 88 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2b76 n LEU 89 N -1.58 1.92 -3.59 0.64 4.77 -0.53 -5.02 117.00 113.61 2b76 n LEU 89 Ca -0.00 -1.94 -0.28 0.00 -0.03 0.00 0.00 56.01 53.77 2b76 n LEU 89 Cb 0.63 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 2b76 n LEU 89 CO 0.01 0.48 -0.05 0.29 -1.33 0.00 0.00 177.39 176.79 2b76 n LYS 90 N -0.50 -1.56 -4.33 3.23 5.02 1.02 -4.99 118.16 116.05 2b76 n LYS 90 Ca 0.00 0.55 -0.29 0.00 -2.02 0.00 0.00 58.31 56.55 2b76 n LYS 90 Cb 0.27 -4.54 -0.17 0.00 -0.02 0.00 0.00 35.03 30.57 2b76 n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2b76 s ILE 91 N -3.46 1.57 -0.70 -0.18 1.01 -1.00 -5.02 121.20 113.43 2b76 s ILE 91 Ca 0.46 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 2b76 s ILE 91 Cb -0.14 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2b76 s ILE 91 CO 0.83 0.46 1.33 -1.00 0.00 0.00 0.00 174.94 176.56 2b76 s HIS 92 N 1.14 2.26 -0.32 3.97 3.76 -1.26 -4.39 115.29 120.46 2b76 s HIS 92 Ca -0.03 0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2b76 s HIS 92 Cb -0.14 -4.55 0.01 0.00 1.11 0.00 0.00 32.58 29.00 2b76 s HIS 92 CO -0.05 -2.04 0.13 0.08 -0.85 0.00 0.00 174.74 172.01 2b76 s VAL 93 N 5.99 4.33 -0.29 -0.90 1.01 -1.26 -5.04 120.40 124.24 2b76 s VAL 93 Ca 0.40 -0.63 -0.36 0.00 0.00 0.00 0.00 61.98 61.38 2b76 s VAL 93 Cb -0.09 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.90 2b76 s VAL 93 CO 0.17 0.01 2.03 -2.65 0.00 0.00 0.00 175.10 174.65 2b76 n PRO 94 N 4.93 1.26 -1.40 2.72 -0.02 -1.26 -1.67 135.00 139.56 2b76 n PRO 94 Ca -0.14 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2b76 n PRO 94 Cb 0.48 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 2b76 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b76 n ALA 95 N 8.16 -0.20 -0.28 3.55 0.00 -1.26 -4.83 120.51 125.65 2b76 n ALA 95 Ca 0.35 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.93 2b76 n ALA 95 Cb 0.21 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2b76 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b76 n GLY 96 N -1.44 -1.65 0.35 0.00 0.00 -0.67 -0.73 105.19 101.06 2b76 n GLY 96 Ca -0.13 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2b76 n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2b76 h LYS 97 N 0.00 -0.03 0.13 1.61 3.64 -1.91 0.53 116.57 120.53 2b76 h LYS 97 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2b76 h LYS 97 Cb 0.33 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2b76 h LYS 97 CO -0.66 -0.02 -0.06 -1.49 -2.27 0.00 0.00 179.45 174.95 2b76 h TRP 98 N -0.04 -0.16 0.00 1.91 4.06 -1.32 -2.97 115.95 117.44 2b76 h TRP 98 Ca 0.36 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 2b76 h TRP 98 Cb 0.61 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 2b76 h TRP 98 CO -0.75 0.16 0.00 0.28 -3.56 0.00 0.00 178.44 174.57 2b76 n VAL 99 N -5.02 0.00 0.00 1.49 0.31 0.09 0.16 118.33 115.37 2b76 n VAL 99 Ca -0.09 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.55 2b76 n VAL 99 Cb 0.21 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 2b76 n VAL 99 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2b76 n PHE 100 N -2.21 0.00 0.07 3.52 3.01 -0.69 0.17 117.46 121.33 2b76 n PHE 100 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 2b76 n PHE 100 Cb 0.00 -0.41 0.20 0.00 -0.01 0.00 0.00 39.48 39.26 2b76 n PHE 100 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2b76 n TYR 101 N -1.89 0.25 0.06 1.38 0.53 -1.12 0.15 117.16 116.52 2b76 n TYR 101 Ca 0.00 0.13 -0.03 0.00 -1.02 0.00 0.00 57.90 56.98 2b76 n TYR 101 Cb 0.00 -0.62 -0.02 0.00 -1.03 0.00 0.00 39.34 37.68 2b76 n TYR 101 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2b76 h GLY 102 N 0.00 -0.22 -0.12 2.72 0.00 0.35 -2.92 103.07 102.88 2b76 h GLY 102 Ca 0.00 0.08 0.25 0.00 0.00 0.00 0.00 47.33 47.66 2b76 h GLY 102 CO 0.00 -0.08 0.63 -2.00 0.00 0.00 0.00 176.54 175.09 2b76 h LEU 103 N -0.62 0.58 -2.11 3.11 6.46 0.60 0.54 115.31 123.88 2b76 h LEU 103 Ca -0.02 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2b76 h LEU 103 Cb 0.16 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2b76 h LEU 103 CO 0.03 0.11 0.00 0.00 -0.62 0.00 0.00 178.44 177.96 2b76 h ALA 104 N 1.67 1.00 0.00 1.25 0.00 0.13 -1.40 119.26 121.91 2b76 h ALA 104 Ca 0.62 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.19 2b76 h ALA 104 Cb 1.33 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2b76 h ALA 104 CO -0.38 0.00 -1.87 0.00 0.00 0.00 0.00 179.25 177.00 2b76 n ALA 105 N -2.00 0.98 -0.06 0.00 0.00 0.18 -3.24 120.51 116.37 2b76 n ALA 105 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 2b76 n ALA 105 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2b76 n ALA 105 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2b76 h ILE 106 N -1.00 0.00 -0.17 0.00 2.04 -1.13 0.39 117.51 117.63 2b76 h ILE 106 Ca -0.51 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.40 2b76 h ILE 106 Cb 1.44 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2b76 h ILE 106 CO -0.31 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 178.02 2b76 h LEU 107 N -0.10 0.00 -0.83 1.44 3.38 -1.46 0.90 115.31 118.65 2b76 h LEU 107 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2b76 h LEU 107 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2b76 h LEU 107 CO -0.20 0.00 -0.43 0.74 0.09 0.00 0.00 178.44 178.64 2b76 h THR 108 N 0.00 1.31 0.42 0.22 2.02 -0.34 -2.66 112.91 113.88 2b76 h THR 108 Ca 0.08 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2b76 h THR 108 Cb 0.57 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2b76 h THR 108 CO -0.00 0.48 -0.20 0.58 0.37 0.00 0.00 175.52 176.75 2b76 h VAL 109 N 0.29 0.45 -0.55 3.16 2.07 0.33 0.31 116.25 122.31 2b76 h VAL 109 Ca 0.02 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.09 2b76 h VAL 109 Cb 0.87 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 2b76 h VAL 109 CO 0.07 0.08 -0.46 0.58 0.02 0.00 0.00 177.57 177.86 2b76 h VAL 110 N -0.93 0.07 0.61 2.57 2.07 -1.40 0.36 116.25 119.59 2b76 h VAL 110 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2b76 h VAL 110 Cb 0.56 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2b76 h VAL 110 CO 0.10 0.00 -0.51 0.74 0.02 0.00 0.00 177.57 177.91 2b76 h THR 111 N -0.25 0.00 -0.41 2.57 2.02 -1.46 0.29 112.91 115.66 2b76 h THR 111 Ca 0.16 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.46 2b76 h THR 111 Cb 0.57 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2b76 h THR 111 CO -0.67 0.00 0.63 0.25 0.37 0.00 0.00 175.52 176.09 2b76 h LEU 112 N -1.09 0.00 0.00 2.58 5.85 0.40 -1.10 115.31 121.95 2b76 h LEU 112 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2b76 h LEU 112 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2b76 h LEU 112 CO -0.01 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.71 2b76 n ILE 113 N -3.33 0.00 -0.14 4.05 5.41 0.12 -2.36 119.36 123.11 2b76 n ILE 113 Ca 0.08 0.53 0.03 0.00 1.00 0.00 0.00 62.75 64.39 2b76 n ILE 113 Cb 0.79 -1.08 0.07 0.00 -0.71 0.00 0.00 39.64 38.71 2b76 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2b76 n GLY 114 N 1.13 -0.64 0.31 7.39 0.00 -0.41 0.18 105.19 113.15 2b76 n GLY 114 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 2b76 n GLY 114 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2b76 h VAL 115 N 0.00 1.24 0.04 1.61 -1.51 -1.31 -2.96 116.25 113.36 2b76 h VAL 115 Ca 0.20 -0.90 -0.25 0.00 -1.23 0.00 0.00 66.70 64.52 2b76 h VAL 115 Cb 0.34 0.64 0.01 0.00 -2.13 0.00 0.00 31.29 30.15 2b76 h VAL 115 CO -0.40 0.34 -1.05 -0.37 -1.23 0.00 0.00 177.57 174.85 2b76 h VAL 116 N 0.91 1.37 0.74 7.19 -1.51 0.23 -3.37 116.25 121.82 2b76 h VAL 116 Ca 0.19 -2.50 -0.03 0.00 -1.23 0.00 0.00 66.70 63.13 2b76 h VAL 116 Cb 0.34 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 2b76 h VAL 116 CO 0.00 0.75 -0.42 0.71 -1.23 0.00 0.00 177.57 177.38 2b76 h THR 117 N 0.25 0.00 0.00 7.19 1.35 -1.34 -3.52 112.91 116.83 2b76 h THR 117 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2b76 h THR 117 Cb 1.71 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2b76 h THR 117 CO 0.19 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 175.08