#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p86 s PRO 2 N 0.00 0.93 0.43 0.00 0.04 -1.26 -4.95 135.00 130.19 2p86 s PRO 2 Ca 0.00 0.37 0.21 0.00 0.04 0.00 0.00 61.00 61.62 2p86 s PRO 2 Cb 0.00 -1.81 0.97 0.00 0.04 0.00 0.00 34.50 33.71 2p86 s PRO 2 CO 0.00 -2.36 1.88 0.00 0.04 0.00 0.00 177.00 176.56 2p86 h ALA 3 N -1.62 1.18 -2.33 8.56 0.00 -2.01 -3.46 119.26 119.58 2p86 h ALA 3 Ca -0.52 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2p86 h ALA 3 Cb 1.33 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 2p86 h ALA 3 CO 0.61 0.34 0.04 0.00 0.00 0.00 0.00 179.25 180.23 2p86 s ALA 4 N -3.93 -1.40 -0.08 0.00 0.00 -1.26 -0.50 121.76 114.58 2p86 s ALA 4 Ca -0.01 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 2p86 s ALA 4 Cb 0.12 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.47 2p86 s ALA 4 CO 0.65 -0.42 0.22 0.08 0.00 0.00 0.00 175.76 176.30 2p86 s VAL 5 N -1.84 0.00 -0.29 0.00 1.01 -0.48 -4.97 120.40 113.82 2p86 s VAL 5 Ca -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2p86 s VAL 5 Cb -0.01 -0.32 0.11 0.00 0.00 0.00 0.00 36.38 36.16 2p86 s VAL 5 CO 0.03 -0.00 0.16 -0.62 0.00 0.00 0.00 175.10 174.67 2p86 s ASP 6 N 0.11 3.26 0.37 3.32 3.68 -1.26 -1.01 116.67 125.14 2p86 s ASP 6 Ca -0.00 -1.27 0.27 0.00 2.13 0.00 0.00 52.55 53.68 2p86 s ASP 6 Cb -0.02 -0.24 1.28 0.00 -1.45 0.00 0.00 42.92 42.49 2p86 s ASP 6 CO 0.00 -0.43 1.82 -0.50 0.13 0.00 0.00 175.17 176.19 2p86 h TRP 7 N 8.31 0.00 -0.80 -5.34 4.06 -1.67 -1.73 115.95 118.77 2p86 h TRP 7 Ca -0.18 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 2p86 h TRP 7 Cb 1.02 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.14 2p86 h TRP 7 CO 0.30 0.00 0.48 0.00 -3.56 0.00 0.00 178.44 175.65 2p86 h ARG 8 N 0.00 1.09 0.00 0.49 3.08 -1.92 -2.51 114.38 114.61 2p86 h ARG 8 Ca 0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2p86 h ARG 8 Cb 0.23 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2p86 h ARG 8 CO 0.00 0.77 -0.05 0.93 -1.07 0.00 0.00 179.97 180.55 2p86 h GLU 9 N 1.10 0.00 -0.04 0.04 5.08 -1.72 -2.97 114.58 116.07 2p86 h GLU 9 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2p86 h GLU 9 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2p86 h GLU 9 CO -0.05 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2p86 n LYS 10 N -3.18 2.00 -0.56 2.33 5.02 -1.00 -4.96 118.16 117.81 2p86 n LYS 10 Ca 0.00 -1.46 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 2p86 n LYS 10 Cb 0.32 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2p86 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p86 n GLY 11 N 1.27 0.70 1.14 0.72 0.00 -1.08 -4.96 105.19 102.98 2p86 n GLY 11 Ca 0.17 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2p86 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p86 n ALA 12 N -0.33 2.40 -3.73 4.61 0.00 -0.98 -4.72 120.51 117.75 2p86 n ALA 12 Ca 0.00 -1.04 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 2p86 n ALA 12 Cb 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 2p86 n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2p86 s VAL 13 N -1.36 0.84 0.85 0.00 1.01 -1.26 -3.61 120.40 116.86 2p86 s VAL 13 Ca 0.39 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 2p86 s VAL 13 Cb 0.22 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.84 2p86 s VAL 13 CO 0.30 0.32 1.12 0.42 0.00 0.00 0.00 175.10 177.26 2p86 s THR 14 N 1.39 2.51 0.84 3.92 -4.23 -1.26 -4.94 115.64 113.86 2p86 s THR 14 Ca -0.02 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 2p86 s THR 14 Cb -0.13 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.84 2p86 s THR 14 CO -0.04 -0.21 0.96 -2.65 -0.54 0.00 0.00 174.62 172.13 2p86 n PRO 15 N -3.57 -0.01 -1.93 3.99 -0.02 -1.26 -4.93 135.00 127.27 2p86 n PRO 15 Ca 0.07 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 2p86 n PRO 15 Cb 0.58 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 2p86 n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2p86 s VAL 16 N -2.24 2.40 0.48 -1.45 1.01 -1.26 -5.03 120.40 114.32 2p86 s VAL 16 Ca 0.68 0.37 0.06 0.00 0.00 0.00 0.00 61.98 63.09 2p86 s VAL 16 Cb -0.27 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2p86 s VAL 16 CO 0.56 0.07 0.33 -0.54 0.00 0.00 0.00 175.10 175.52 2p86 s LYS 17 N -1.05 2.31 -0.17 2.72 1.02 -1.26 -4.56 119.74 118.75 2p86 s LYS 17 Ca 0.57 -1.87 -0.02 0.00 0.02 0.00 0.00 55.97 54.67 2p86 s LYS 17 Cb -0.44 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 34.81 2p86 s LYS 17 CO 0.51 -0.38 0.01 0.34 -0.92 0.00 0.00 175.35 174.91 2p86 s ASP 18 N -4.14 2.77 0.55 2.83 2.15 -1.26 -1.40 116.67 118.18 2p86 s ASP 18 Ca 0.38 -0.72 0.32 0.00 0.43 0.00 0.00 52.55 52.97 2p86 s ASP 18 Cb -0.01 -0.66 1.57 0.00 -0.30 0.00 0.00 42.92 43.52 2p86 s ASP 18 CO 0.23 -0.27 2.08 0.06 -0.17 0.00 0.00 175.17 177.10 2p86 h GLN 19 N 8.22 0.00 0.00 4.34 3.07 -1.35 -3.47 115.11 125.92 2p86 h GLN 19 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2p86 h GLN 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 2p86 h GLN 19 CO 0.34 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.75 2p86 n GLY 20 N -0.49 0.87 2.72 0.06 0.00 -1.26 -3.90 105.19 103.18 2p86 n GLY 20 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2p86 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p86 n GLN 21 N 2.37 4.12 -3.64 1.61 1.13 0.40 -4.81 117.38 118.56 2p86 n GLN 21 Ca 0.00 -3.61 -0.09 0.00 -1.94 0.00 0.00 57.00 51.36 2p86 n GLN 21 Cb 0.00 -2.77 -0.07 0.00 0.11 0.00 0.00 30.24 27.51 2p86 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2p86 n GLY 23 N 3.84 4.03 1.36 0.00 0.00 -0.28 -4.53 105.19 109.61 2p86 n GLY 23 Ca -0.18 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.38 2p86 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p86 n SER 24 N 2.68 4.57 -0.31 1.61 3.41 -1.26 -3.26 113.62 121.07 2p86 n SER 24 Ca 0.62 -2.71 0.14 0.00 -0.26 0.00 0.00 58.87 56.66 2p86 n SER 24 Cb 0.48 -0.56 0.32 0.00 -0.26 0.00 0.00 64.21 64.18 2p86 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p86 h TRP 26 N 0.37 0.69 -0.20 0.00 5.08 -1.82 -0.41 115.95 119.66 2p86 h TRP 26 Ca 0.57 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 60.42 2p86 h TRP 26 Cb 1.12 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 2p86 h TRP 26 CO -0.14 0.34 -0.43 0.00 -1.28 0.00 0.00 178.44 176.92 2p86 h ALA 27 N 1.63 0.32 -0.77 0.11 0.00 -1.27 -2.21 119.26 117.07 2p86 h ALA 27 Ca 0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2p86 h ALA 27 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2p86 h ALA 27 CO -0.11 0.45 0.36 0.74 0.00 0.00 0.00 179.25 180.68 2p86 h PHE 28 N 0.33 1.12 -0.01 0.00 -1.00 -1.07 -0.26 116.94 116.05 2p86 h PHE 28 Ca 0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2p86 h PHE 28 Cb 1.04 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 2p86 h PHE 28 CO 0.09 0.82 0.01 1.03 -1.61 0.00 0.00 178.31 178.65 2p86 h SER 29 N 1.09 0.01 0.26 2.17 0.87 -1.08 0.09 113.55 116.97 2p86 h SER 29 Ca 0.26 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2p86 h SER 29 Cb 0.13 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2p86 h SER 29 CO -0.03 0.02 -0.22 0.74 -0.53 0.00 0.00 176.83 176.81 2p86 h THR 30 N 0.01 0.54 -0.55 2.23 2.02 -1.23 -2.00 112.91 113.93 2p86 h THR 30 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2p86 h THR 30 Cb 0.01 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2p86 h THR 30 CO -0.00 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.43 2p86 h ILE 31 N -0.49 1.24 -0.92 3.11 1.08 -1.00 -1.59 117.51 118.94 2p86 h ILE 31 Ca -0.01 -0.86 0.04 0.00 -0.39 0.00 0.00 64.86 63.64 2p86 h ILE 31 Cb 0.44 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 2p86 h ILE 31 CO -0.02 0.32 0.60 1.23 -0.69 0.00 0.00 178.15 179.58 2p86 h GLY 32 N 0.77 1.36 0.94 5.37 0.00 -0.88 0.11 103.07 110.75 2p86 h GLY 32 Ca 0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2p86 h GLY 32 CO 0.00 0.36 0.13 -0.57 0.00 0.00 0.00 176.54 176.46 2p86 h ASN 33 N 1.13 0.61 -0.60 0.19 -0.73 -1.00 -2.34 115.58 112.84 2p86 h ASN 33 Ca 0.38 -0.20 -0.08 0.00 1.87 0.00 0.00 56.30 58.26 2p86 h ASN 33 Cb 0.06 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 2p86 h ASN 33 CO -0.14 0.65 0.05 0.40 -0.37 0.00 0.00 177.43 178.02 2p86 h ILE 34 N 0.53 1.26 -0.62 2.57 2.04 -0.62 -0.71 117.51 121.96 2p86 h ILE 34 Ca 0.14 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.99 2p86 h ILE 34 Cb 0.26 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2p86 h ILE 34 CO -0.00 0.40 0.31 -0.33 0.00 0.00 0.00 178.15 178.52 2p86 h GLU 35 N 0.97 0.55 -0.28 2.37 5.08 -0.68 -0.07 114.58 122.53 2p86 h GLU 35 Ca 0.18 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2p86 h GLU 35 Cb 0.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2p86 h GLU 35 CO 0.02 0.37 -0.13 0.78 -1.00 0.00 0.00 179.01 179.05 2p86 h GLY 36 N 0.57 0.62 1.20 -3.84 0.00 -1.00 -2.49 103.07 98.14 2p86 h GLY 36 Ca 0.29 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2p86 h GLY 36 CO -0.22 0.51 0.16 1.46 0.00 0.00 0.00 176.54 178.46 2p86 h GLN 37 N 0.31 0.99 -0.47 4.80 1.08 -0.72 -0.45 115.11 120.67 2p86 h GLN 37 Ca 0.06 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 2p86 h GLN 37 Cb 0.64 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2p86 h GLN 37 CO 0.04 0.88 0.08 2.35 -0.95 0.00 0.00 178.83 181.22 2p86 h TRP 38 N 0.95 0.83 -0.32 2.96 2.91 -1.03 -1.94 115.95 120.31 2p86 h TRP 38 Ca 0.20 -0.11 -0.09 0.00 1.13 0.00 0.00 58.89 60.02 2p86 h TRP 38 Cb 0.32 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 2p86 h TRP 38 CO 0.02 0.77 -0.14 0.37 -1.03 0.00 0.00 178.44 178.43 2p86 h GLN 39 N 0.65 0.65 0.00 2.65 -0.00 -1.14 -2.97 115.11 114.94 2p86 h GLN 39 Ca 0.14 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.65 58.48 2p86 h GLN 39 Cb 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 2p86 h GLN 39 CO 0.01 0.87 -0.15 0.28 0.00 0.00 0.00 178.83 179.84 2p86 h VAL 40 N 0.42 0.71 0.00 2.39 2.07 -1.02 -0.76 116.25 120.05 2p86 h VAL 40 Ca 0.07 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2p86 h VAL 40 Cb 0.67 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2p86 h VAL 40 CO 0.04 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2p86 n ALA 41 N -2.33 1.78 0.00 1.67 0.00 -0.74 -4.85 120.51 116.04 2p86 n ALA 41 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2p86 n ALA 41 Cb 0.25 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2p86 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p86 n GLY 42 N 0.14 1.30 3.92 0.00 0.00 -0.30 -5.10 105.19 105.15 2p86 n GLY 42 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2p86 n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2p86 s ASN 43 N -2.00 6.17 0.51 1.61 0.01 -1.14 -5.04 114.94 115.06 2p86 s ASN 43 Ca 0.00 0.08 -0.23 0.00 -0.71 0.00 0.00 52.86 52.00 2p86 s ASN 43 Cb 0.00 -1.80 -0.06 0.00 0.41 0.00 0.00 41.25 39.80 2p86 s ASN 43 CO 0.00 0.02 1.35 -2.84 -1.51 0.00 0.00 177.10 174.12 2p86 s PRO 44 N -3.43 3.37 0.25 -0.60 0.02 -1.26 -4.26 135.00 129.10 2p86 s PRO 44 Ca 0.34 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 63.28 2p86 s PRO 44 Cb -0.10 -2.39 -0.12 0.00 0.02 0.00 0.00 34.50 31.91 2p86 s PRO 44 CO 0.28 -1.00 1.66 -1.17 -0.33 0.00 0.00 177.00 176.43 2p86 s LEU 45 N -3.22 4.36 -0.03 -5.54 2.96 -1.26 -4.73 118.68 111.21 2p86 s LEU 45 Ca 0.67 2.92 -0.03 0.00 -0.22 0.00 0.00 54.13 57.47 2p86 s LEU 45 Cb -0.40 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.68 2p86 s LEU 45 CO 0.49 -0.94 0.08 0.54 -1.32 0.00 0.00 176.35 175.19 2p86 s VAL 46 N 0.54 -0.01 -0.00 1.68 0.11 -1.26 -5.11 120.40 116.36 2p86 s VAL 46 Ca 0.69 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.46 2p86 s VAL 46 Cb -0.49 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2p86 s VAL 46 CO 0.41 0.01 1.12 -0.55 -3.33 0.00 0.00 175.10 172.76 2p86 s SER 47 N 0.17 7.16 0.40 3.54 0.15 -1.26 -4.82 113.70 119.05 2p86 s SER 47 Ca -0.01 1.83 0.08 0.00 0.70 0.00 0.00 55.95 58.54 2p86 s SER 47 Cb -0.02 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2p86 s SER 47 CO -0.00 -0.44 0.32 -0.76 1.20 0.00 0.00 173.24 173.55 2p86 s LEU 48 N 1.44 3.36 -0.51 3.45 1.43 -1.26 -0.91 118.68 125.67 2p86 s LEU 48 Ca 0.55 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 2p86 s LEU 48 Cb -0.25 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2p86 s LEU 48 CO 0.26 -0.58 0.60 -0.55 0.23 0.00 0.00 176.35 176.31 2p86 s SER 49 N -4.06 6.21 0.34 2.29 0.15 -0.29 -3.93 113.70 114.39 2p86 s SER 49 Ca 0.46 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 56.10 2p86 s SER 49 Cb -0.02 -2.28 0.60 0.00 -1.71 0.00 0.00 66.02 62.62 2p86 s SER 49 CO 0.27 -0.88 1.87 -0.33 1.20 0.00 0.00 173.24 175.36 2p86 h GLU 50 N 8.98 0.51 -0.65 5.44 3.07 -1.87 -3.10 114.58 126.95 2p86 h GLU 50 Ca -0.28 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2p86 h GLU 50 Cb 1.10 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 2p86 h GLU 50 CO 0.97 0.55 0.40 0.37 -1.40 0.00 0.00 179.01 179.90 2p86 h GLN 51 N 0.49 0.88 -0.44 2.33 5.75 -1.85 -0.24 115.11 122.02 2p86 h GLN 51 Ca 0.10 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.62 2p86 h GLN 51 Cb 0.35 -0.19 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 2p86 h GLN 51 CO 0.01 0.61 -0.14 1.98 -2.65 0.00 0.00 178.83 178.65 2p86 h MET 52 N 0.89 -0.03 -0.10 1.69 4.05 -1.78 0.56 114.93 120.21 2p86 h MET 52 Ca 0.24 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2p86 h MET 52 Cb -0.05 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2p86 h MET 52 CO -0.05 -0.02 0.00 -0.07 0.23 0.00 0.00 176.91 177.00 2p86 h LEU 53 N -0.04 0.18 -0.65 3.39 3.38 -1.37 -0.34 115.31 119.86 2p86 h LEU 53 Ca 0.21 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2p86 h LEU 53 Cb 0.36 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2p86 h LEU 53 CO -0.47 0.44 0.32 0.58 0.09 0.00 0.00 178.44 179.40 2p86 h VAL 54 N -0.09 0.88 0.00 1.22 2.07 -0.60 -2.07 116.25 117.67 2p86 h VAL 54 Ca 0.03 -0.20 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 2p86 h VAL 54 Cb 0.35 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2p86 h VAL 54 CO 0.01 0.11 -1.43 0.28 0.02 0.00 0.00 177.57 176.55 2p86 h SER 55 N 0.58 0.00 0.00 0.57 0.02 -0.94 -3.35 113.55 110.43 2p86 h SER 55 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2p86 h SER 55 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2p86 h SER 55 CO -0.24 0.61 -1.22 0.00 -1.14 0.00 0.00 176.83 174.85 2p86 s ASP 57 N -2.76 6.35 0.00 0.00 2.15 -0.78 -4.87 116.67 116.75 2p86 s ASP 57 Ca -0.02 0.78 0.27 0.00 0.43 0.00 0.00 52.55 54.02 2p86 s ASP 57 Cb 0.02 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 41.07 2p86 s ASP 57 CO 0.18 -1.43 1.70 0.35 -0.17 0.00 0.00 175.17 175.80 2p86 n THR 58 N 7.07 0.00 -0.05 1.71 -2.24 -1.26 -3.79 114.28 115.72 2p86 n THR 58 Ca 0.16 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 2p86 n THR 58 Cb 0.48 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 2p86 n THR 58 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2p86 h ILE 59 N 0.64 1.61 -3.82 2.28 2.04 -1.92 -3.47 117.51 114.87 2p86 h ILE 59 Ca 0.00 -2.36 -0.43 0.00 1.00 0.00 0.00 64.86 63.07 2p86 h ILE 59 Cb 0.44 3.19 0.18 0.00 -0.74 0.00 0.00 36.82 39.88 2p86 h ILE 59 CO 0.00 0.59 0.33 -1.81 0.00 0.00 0.00 178.15 177.26 2p86 s ASP 60 N -6.44 2.29 -0.19 1.72 1.01 -1.25 -5.03 116.67 108.78 2p86 s ASP 60 Ca -0.20 0.34 0.12 0.00 0.71 0.00 0.00 52.55 53.53 2p86 s ASP 60 Cb -0.01 -0.41 0.41 0.00 1.01 0.00 0.00 42.92 43.92 2p86 s ASP 60 CO 0.70 -3.25 1.21 0.49 0.21 0.00 0.00 175.17 174.53 2p86 n PHE 61 N -4.13 0.00 -0.38 4.23 3.01 -0.08 -4.95 117.46 115.17 2p86 n PHE 61 Ca 0.15 -1.40 0.00 0.00 1.01 0.00 0.00 57.45 57.21 2p86 n PHE 61 Cb 0.59 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 2p86 n PHE 61 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2p86 n GLY 62 N -1.06 3.55 0.03 1.37 0.00 -1.25 -1.04 105.19 106.79 2p86 n GLY 62 Ca 0.18 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2p86 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p86 n GLY 64 N -0.10 -1.23 0.00 0.00 0.00 -0.21 -1.12 105.19 102.53 2p86 n GLY 64 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2p86 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p86 n GLY 65 N 1.33 1.95 0.00 -0.02 0.00 -1.11 -4.92 105.19 102.42 2p86 n GLY 65 Ca 0.13 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2p86 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p86 n GLY 66 N -1.05 -0.51 3.14 -0.02 0.00 -1.26 -0.90 105.19 104.59 2p86 n GLY 66 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 2p86 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p86 s LEU 67 N 0.00 1.97 0.29 0.99 1.43 -1.26 -4.75 118.68 117.34 2p86 s LEU 67 Ca 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2p86 s LEU 67 Cb 0.00 -0.91 0.53 0.00 0.03 0.00 0.00 46.19 45.83 2p86 s LEU 67 CO 0.00 0.18 1.87 0.24 0.23 0.00 0.00 176.35 178.87 2p86 h MET 68 N 5.98 1.01 -0.58 1.70 2.86 -1.99 -1.56 114.93 122.35 2p86 h MET 68 Ca -0.35 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.29 2p86 h MET 68 Cb 1.16 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.54 2p86 h MET 68 CO 0.48 0.67 0.30 0.22 1.06 0.00 0.00 176.91 179.64 2p86 h ASP 69 N 1.04 0.44 -0.67 1.22 3.58 -1.96 -0.67 116.42 119.40 2p86 h ASP 69 Ca 0.45 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.89 2p86 h ASP 69 Cb 0.33 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2p86 h ASP 69 CO -0.20 0.29 0.25 0.78 -2.88 0.00 0.00 179.24 177.48 2p86 h ASN 70 N 0.57 0.94 -0.57 2.28 2.35 -1.76 -2.36 115.58 117.04 2p86 h ASN 70 Ca 0.26 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2p86 h ASN 70 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2p86 h ASN 70 CO -0.18 0.87 0.06 0.00 -1.65 0.00 0.00 177.43 176.53 2p86 h ALA 71 N 1.11 0.76 -0.65 -0.83 0.00 -0.53 0.11 119.26 119.24 2p86 h ALA 71 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2p86 h ALA 71 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2p86 h ALA 71 CO -0.02 0.54 0.20 0.74 0.00 0.00 0.00 179.25 180.72 2p86 h PHE 72 N 0.86 1.05 -0.47 0.00 0.04 -1.14 -0.91 116.94 116.37 2p86 h PHE 72 Ca 0.17 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2p86 h PHE 72 Cb 0.47 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2p86 h PHE 72 CO 0.03 0.85 0.26 -0.91 -0.60 0.00 0.00 178.31 177.94 2p86 h ASN 73 N 0.94 0.59 -0.41 2.17 2.35 -0.93 -2.44 115.58 117.86 2p86 h ASN 73 Ca 0.21 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2p86 h ASN 73 Cb 0.30 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2p86 h ASN 73 CO -0.01 0.51 0.20 -0.25 -1.65 0.00 0.00 177.43 176.24 2p86 h TRP 74 N 0.62 0.58 -0.14 1.19 7.01 -0.48 0.14 115.95 124.87 2p86 h TRP 74 Ca 0.17 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.17 2p86 h TRP 74 Cb 0.06 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2p86 h TRP 74 CO -0.02 0.47 -0.06 0.82 -2.79 0.00 0.00 178.44 176.87 2p86 h ILE 75 N 0.52 0.81 -0.09 2.65 2.04 -1.07 0.13 117.51 122.50 2p86 h ILE 75 Ca 0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2p86 h ILE 75 Cb 0.11 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2p86 h ILE 75 CO -0.02 0.00 -0.12 0.58 0.00 0.00 0.00 178.15 178.59 2p86 h VAL 76 N -0.04 1.38 0.00 1.67 2.07 -1.28 0.93 116.25 120.98 2p86 h VAL 76 Ca 0.07 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2p86 h VAL 76 Cb 0.15 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2p86 h VAL 76 CO -0.16 0.38 -1.02 0.59 0.02 0.00 0.00 177.57 177.37 2p86 n ASN 77 N -4.63 0.78 0.00 0.57 3.02 0.48 -3.62 115.26 111.86 2p86 n ASN 77 Ca -0.07 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2p86 n ASN 77 Cb 0.35 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 2p86 n ASN 77 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2p86 n SER 78 N -2.57 4.38 -0.26 6.41 7.64 0.40 -4.74 113.62 124.90 2p86 n SER 78 Ca 0.00 -0.04 0.08 0.00 1.01 0.00 0.00 58.87 59.92 2p86 n SER 78 Cb 0.54 0.96 0.15 0.00 -1.01 0.00 0.00 64.21 64.84 2p86 n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2p86 n ASN 79 N -1.40 2.03 -0.75 6.43 4.05 -0.80 -4.98 115.26 119.83 2p86 n ASN 79 Ca 0.00 -3.21 -0.10 0.00 0.45 0.00 0.00 54.58 51.72 2p86 n ASN 79 Cb 0.00 -0.44 -0.04 0.00 1.23 0.00 0.00 39.78 40.53 2p86 n ASN 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2p86 n GLY 80 N -1.24 1.09 2.61 8.20 0.00 -1.10 -1.49 105.19 113.25 2p86 n GLY 80 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2p86 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p86 n GLY 81 N -1.17 1.64 3.85 -0.02 0.00 0.25 -4.93 105.19 104.81 2p86 n GLY 81 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2p86 n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2p86 s ASN 82 N -3.31 6.80 -0.10 1.61 0.02 -0.55 -0.81 114.94 118.59 2p86 s ASN 82 Ca 0.00 1.18 -0.01 0.00 -1.02 0.00 0.00 52.86 53.01 2p86 s ASN 82 Cb 0.00 -2.33 0.03 0.00 0.02 0.00 0.00 41.25 38.97 2p86 s ASN 82 CO 0.00 -0.08 -0.05 -0.69 0.02 0.00 0.00 177.10 176.30 2p86 s VAL 83 N -1.78 0.78 0.54 1.60 1.01 -0.04 -4.92 120.40 117.60 2p86 s VAL 83 Ca 0.48 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 2p86 s VAL 83 Cb -0.12 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 2p86 s VAL 83 CO 0.19 0.33 1.01 -0.36 0.00 0.00 0.00 175.10 176.27 2p86 s PHE 84 N 1.80 3.33 0.64 5.22 0.08 -1.26 -0.58 117.98 127.20 2p86 s PHE 84 Ca 0.05 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.42 2p86 s PHE 84 Cb -0.12 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 2p86 s PHE 84 CO -0.07 -0.59 1.10 0.95 -0.10 0.00 0.00 175.22 176.51 2p86 s THR 85 N -2.60 3.32 0.26 0.64 -4.23 -0.75 -1.14 115.64 111.14 2p86 s THR 85 Ca 0.60 0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 61.70 2p86 s THR 85 Cb -0.12 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.83 2p86 s THR 85 CO 0.34 -0.36 1.92 -0.08 -0.54 0.00 0.00 174.62 175.89 2p86 h GLU 86 N 0.18 1.23 -1.00 3.99 4.81 -1.15 -2.07 114.58 120.56 2p86 h GLU 86 Ca -0.47 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2p86 h GLU 86 Cb 1.24 -0.28 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 2p86 h GLU 86 CO 0.55 0.81 0.65 0.00 -0.73 0.00 0.00 179.01 180.28 2p86 h ALA 87 N 1.42 1.37 0.00 2.92 0.00 -1.93 -2.03 119.26 121.01 2p86 h ALA 87 Ca 0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2p86 h ALA 87 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2p86 h ALA 87 CO -0.11 0.46 -0.22 1.03 0.00 0.00 0.00 179.25 180.41 2p86 h SER 88 N 1.19 0.00 -1.49 0.00 0.87 -1.73 -3.39 113.55 108.99 2p86 h SER 88 Ca 0.42 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.57 2p86 h SER 88 Cb 0.13 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 61.80 2p86 h SER 88 CO -0.16 0.22 -0.82 0.00 -0.53 0.00 0.00 176.83 175.54 2p86 n TYR 89 N -3.18 -1.85 -1.57 2.24 -0.00 -0.82 -4.88 117.16 107.10 2p86 n TYR 89 Ca 0.03 -2.67 -0.31 0.00 -0.00 0.00 0.00 57.90 54.94 2p86 n TYR 89 Cb 0.59 0.59 0.06 0.00 -0.00 0.00 0.00 39.34 40.58 2p86 n TYR 89 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2p86 s PRO 90 N -0.02 2.83 -0.21 2.98 0.04 -0.87 -4.42 135.00 135.34 2p86 s PRO 90 Ca 0.33 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2p86 s PRO 90 Cb 0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2p86 s PRO 90 CO -0.15 -1.16 1.11 -0.47 0.04 0.00 0.00 177.00 176.36 2p86 s TYR 91 N -3.06 3.20 0.00 0.56 5.04 -1.26 -4.75 117.35 117.08 2p86 s TYR 91 Ca 0.58 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 2p86 s TYR 91 Cb -0.14 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 38.83 2p86 s TYR 91 CO 0.55 -0.84 0.46 1.33 -1.34 0.00 0.00 175.55 175.71 2p86 n VAL 92 N 5.32 0.11 0.71 3.14 0.24 -1.26 -4.76 118.33 121.83 2p86 n VAL 92 Ca 0.12 -0.44 0.05 0.00 -2.04 0.00 0.00 64.34 62.04 2p86 n VAL 92 Cb 0.46 1.14 0.17 0.00 -1.47 0.00 0.00 33.84 34.14 2p86 n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2p86 n SER 93 N -0.06 2.18 0.17 -1.34 7.64 -1.26 -4.36 113.62 116.60 2p86 n SER 93 Ca 0.00 -2.08 0.14 0.00 1.01 0.00 0.00 58.87 57.94 2p86 n SER 93 Cb 0.09 -0.30 0.53 0.00 -1.01 0.00 0.00 64.21 63.52 2p86 n SER 93 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2p86 h GLY 94 N 5.09 0.00 -2.49 0.23 0.00 -1.86 -0.04 103.07 104.01 2p86 h GLY 94 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2p86 h GLY 94 CO 0.04 0.00 0.04 0.70 0.00 0.00 0.00 176.54 177.32 2p86 n ASN 95 N -2.51 4.40 0.00 0.19 3.02 -1.26 -0.45 115.26 118.64 2p86 n ASN 95 Ca 0.02 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 2p86 n ASN 95 Cb 0.28 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2p86 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p86 n GLY 96 N -0.23 1.14 3.77 7.41 0.00 -0.03 -4.95 105.19 112.30 2p86 n GLY 96 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 2p86 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p86 s GLU 97 N -0.25 4.16 -0.50 1.61 0.41 -1.26 -4.98 118.70 117.90 2p86 s GLU 97 Ca 0.00 2.25 0.05 0.00 -0.41 0.00 0.00 54.97 56.87 2p86 s GLU 97 Cb 0.00 -2.93 0.19 0.00 -1.78 0.00 0.00 34.13 29.61 2p86 s GLU 97 CO 0.00 -0.37 0.45 1.04 -0.49 0.00 0.00 175.26 175.89 2p86 n GLN 98 N 0.48 0.89 -1.01 1.61 6.02 -1.26 -4.03 117.38 120.08 2p86 n GLN 98 Ca 0.02 -3.62 -0.30 0.00 -0.01 0.00 0.00 57.00 53.08 2p86 n GLN 98 Cb 0.42 -1.78 0.15 0.00 1.02 0.00 0.00 30.24 30.05 2p86 n GLN 98 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2p86 s PRO 99 N -0.78 1.15 0.60 -1.09 0.04 -1.26 -4.97 135.00 128.70 2p86 s PRO 99 Ca 0.32 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 2p86 s PRO 99 Cb 0.06 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2p86 s PRO 99 CO -0.16 -2.39 1.10 0.00 0.04 0.00 0.00 177.00 175.59 2p86 n GLN 100 N -4.02 1.05 -1.59 4.56 10.64 -1.26 -4.83 117.38 121.94 2p86 n GLN 100 Ca 0.08 0.40 -0.51 0.00 -1.83 0.00 0.00 57.00 55.14 2p86 n GLN 100 Cb 0.54 -2.31 -0.05 0.00 -0.86 0.00 0.00 30.24 27.55 2p86 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2p86 h GLN 102 N 4.24 -0.03 0.00 0.00 4.20 -1.92 -3.50 115.11 118.09 2p86 h GLN 102 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2p86 h GLN 102 Cb 1.34 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2p86 h GLN 102 CO 0.76 -0.02 0.00 -1.33 -0.67 0.00 0.00 178.83 177.56 2p86 n MET 103 N -3.02 0.00 0.00 1.46 2.81 -1.26 -5.09 117.12 112.02 2p86 n MET 103 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2p86 n MET 103 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 2p86 n MET 103 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2p86 n ASN 104 N 0.03 0.00 -0.26 7.83 2.85 -1.26 -5.04 115.26 119.41 2p86 n ASN 104 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2p86 n ASN 104 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 2p86 n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2p86 n GLY 105 N 0.00 0.58 3.77 8.20 0.00 -1.26 -4.98 105.19 111.50 2p86 n GLY 105 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2p86 n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p86 s HIS 106 N -1.85 2.74 0.11 1.61 3.76 -1.26 -4.92 115.29 115.48 2p86 s HIS 106 Ca 0.00 1.31 -0.32 0.00 -0.15 0.00 0.00 55.06 55.90 2p86 s HIS 106 Cb 0.00 -3.83 -0.11 0.00 1.11 0.00 0.00 32.58 29.74 2p86 s HIS 106 CO 0.00 -2.48 1.81 -1.91 -0.85 0.00 0.00 174.74 171.31 2p86 n GLU 107 N 0.35 2.66 -2.83 1.40 2.13 -1.26 -4.94 120.64 118.15 2p86 n GLU 107 Ca 0.02 0.97 -0.42 0.00 0.66 0.00 0.00 57.16 58.38 2p86 n GLU 107 Cb 0.41 -2.84 -0.04 0.00 0.27 0.00 0.00 31.44 29.24 2p86 n GLU 107 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2p86 s ILE 108 N 2.64 4.62 -0.06 6.31 1.01 -1.26 -1.81 121.20 132.64 2p86 s ILE 108 Ca 0.83 1.20 0.06 0.00 0.00 0.00 0.00 60.65 62.74 2p86 s ILE 108 Cb -0.53 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.40 2p86 s ILE 108 CO 0.39 -0.49 0.59 1.23 0.00 0.00 0.00 174.94 176.66 2p86 h GLY 109 N 9.96 0.10 -2.59 6.18 0.00 -1.10 -3.46 103.07 112.17 2p86 h GLY 109 Ca -0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2p86 h GLY 109 CO 0.97 0.23 0.03 0.00 0.00 0.00 0.00 176.54 177.76 2p86 s ALA 110 N -2.59 -0.91 0.00 3.60 0.00 -0.94 -4.99 121.76 115.93 2p86 s ALA 110 Ca -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 2p86 s ALA 110 Cb 0.08 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 2p86 s ALA 110 CO 0.81 -0.81 -0.00 0.00 0.00 0.00 0.00 175.76 175.76 2p86 s ALA 111 N -3.88 0.02 0.21 0.00 0.00 -1.26 -0.86 121.76 115.99 2p86 s ALA 111 Ca 0.10 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2p86 s ALA 111 Cb -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2p86 s ALA 111 CO -0.02 -0.05 -0.16 0.96 0.00 0.00 0.00 175.76 176.48 2p86 s ILE 112 N -0.46 1.92 -0.02 0.00 -4.36 0.01 -4.55 121.20 113.74 2p86 s ILE 112 Ca -0.05 -2.21 0.07 0.00 -0.26 0.00 0.00 60.65 58.20 2p86 s ILE 112 Cb -0.03 -2.07 -0.10 0.00 1.25 0.00 0.00 42.46 41.50 2p86 s ILE 112 CO -0.00 -0.51 0.15 0.35 0.24 0.00 0.00 174.94 175.17 2p86 n THR 113 N -0.33 0.00 -3.78 8.37 -2.24 0.15 -4.43 114.28 112.03 2p86 n THR 113 Ca -0.08 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 2p86 n THR 113 Cb 0.60 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 2p86 n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2p86 n ASP 114 N -1.72 -0.85 -3.85 3.42 -0.08 -1.23 -5.01 116.55 107.22 2p86 n ASP 114 Ca -0.01 -1.37 -0.09 0.00 -1.51 0.00 0.00 54.79 51.81 2p86 n ASP 114 Cb 0.17 1.37 -0.07 0.00 2.34 0.00 0.00 41.12 44.93 2p86 n ASP 114 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2p86 s HIS 115 N -3.38 0.14 0.10 -0.67 -3.43 -1.26 -0.62 115.29 106.17 2p86 s HIS 115 Ca 0.14 -0.54 0.06 0.00 -0.80 0.00 0.00 55.06 53.92 2p86 s HIS 115 Cb -0.01 -0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.05 2p86 s HIS 115 CO 0.02 -0.53 -0.16 0.14 -2.00 0.00 0.00 174.74 172.21 2p86 s VAL 116 N -3.71 1.33 -0.12 -5.38 -7.23 0.23 -4.91 120.40 100.61 2p86 s VAL 116 Ca 0.04 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2p86 s VAL 116 Cb 0.04 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2p86 s VAL 116 CO -0.10 -0.26 0.14 -1.81 -0.31 0.00 0.00 175.10 172.75 2p86 s ASP 117 N -2.05 6.38 0.12 4.85 1.01 -1.26 -1.51 116.67 124.20 2p86 s ASP 117 Ca 0.04 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.77 2p86 s ASP 117 Cb -0.08 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2p86 s ASP 117 CO 0.03 0.41 0.28 -0.76 0.21 0.00 0.00 175.17 175.34 2p86 s LEU 118 N -1.03 4.32 0.81 1.23 1.43 -0.22 -4.99 118.68 120.24 2p86 s LEU 118 Ca 0.15 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 2p86 s LEU 118 Cb -0.12 -3.01 0.08 0.00 0.03 0.00 0.00 46.19 43.17 2p86 s LEU 118 CO 0.04 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 2p86 s PRO 119 N -2.90 1.89 -1.40 1.29 0.04 -1.26 -4.56 135.00 128.10 2p86 s PRO 119 Ca 0.36 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 2p86 s PRO 119 Cb -0.12 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.64 2p86 s PRO 119 CO 0.28 -1.92 2.09 1.04 0.04 0.00 0.00 177.00 178.52 2p86 n GLN 120 N -3.72 3.04 -3.24 4.56 6.02 -1.26 -4.72 117.38 118.07 2p86 n GLN 120 Ca 0.10 -2.88 -0.03 0.00 -0.01 0.00 0.00 57.00 54.18 2p86 n GLN 120 Cb 0.53 -3.25 -0.03 0.00 1.02 0.00 0.00 30.24 28.51 2p86 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2p86 s ASP 121 N 2.93 -0.52 0.34 1.08 -1.08 -1.26 -5.01 116.67 113.15 2p86 s ASP 121 Ca 0.47 -0.08 0.04 0.00 -0.52 0.00 0.00 52.55 52.46 2p86 s ASP 121 Cb 0.12 1.53 0.68 0.00 -1.46 0.00 0.00 42.92 43.78 2p86 s ASP 121 CO -0.05 -0.33 1.94 -0.33 0.52 0.00 0.00 175.17 176.93 2p86 h GLU 122 N 8.09 0.82 -0.35 4.34 5.08 -1.94 0.70 114.58 131.32 2p86 h GLU 122 Ca -0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2p86 h GLU 122 Cb 1.15 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2p86 h GLU 122 CO 0.22 0.54 0.08 -0.44 -1.00 0.00 0.00 179.01 178.40 2p86 h ASP 123 N 0.84 0.54 -0.57 1.42 3.32 -1.97 -0.44 116.42 119.56 2p86 h ASP 123 Ca 0.34 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2p86 h ASP 123 Cb 0.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2p86 h ASP 123 CO -0.12 0.64 0.08 0.00 -1.72 0.00 0.00 179.24 178.13 2p86 h ALA 124 N 0.92 1.01 -0.29 3.45 0.00 -1.79 -1.59 119.26 120.96 2p86 h ALA 124 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2p86 h ALA 124 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p86 h ALA 124 CO 0.00 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.85 2p86 h ILE 125 N 0.93 1.14 -0.49 0.00 2.04 -0.72 -1.18 117.51 119.23 2p86 h ILE 125 Ca 0.18 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2p86 h ILE 125 Cb 0.42 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2p86 h ILE 125 CO 0.01 0.15 0.31 0.00 0.00 0.00 0.00 178.15 178.62 2p86 h ALA 126 N 1.01 0.62 -0.56 1.87 0.00 -0.88 0.67 119.26 122.00 2p86 h ALA 126 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2p86 h ALA 126 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2p86 h ALA 126 CO -0.01 0.02 0.25 0.00 0.00 0.00 0.00 179.25 179.51 2p86 h ALA 127 N 1.20 0.72 -0.37 0.00 0.00 -1.11 -0.40 119.26 119.29 2p86 h ALA 127 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2p86 h ALA 127 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2p86 h ALA 127 CO -0.07 0.30 -0.04 -0.92 0.00 0.00 0.00 179.25 178.53 2p86 h TYR 128 N 0.76 0.76 -0.45 0.00 3.20 -0.98 -2.29 116.97 117.96 2p86 h TYR 128 Ca 0.19 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2p86 h TYR 128 Cb 0.15 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2p86 h TYR 128 CO 0.00 0.80 0.28 1.25 -1.64 0.00 0.00 178.16 178.86 2p86 h LEU 129 N 0.49 0.47 -1.28 2.82 6.46 -0.68 0.51 115.31 124.10 2p86 h LEU 129 Ca 0.10 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2p86 h LEU 129 Cb 0.53 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2p86 h LEU 129 CO 0.03 0.34 0.18 0.00 -0.62 0.00 0.00 178.44 178.36 2p86 h ALA 130 N 1.19 1.43 0.12 1.25 0.00 -0.94 -1.36 119.26 120.95 2p86 h ALA 130 Ca 0.17 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2p86 h ALA 130 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2p86 h ALA 130 CO -0.06 0.43 -1.34 1.49 0.00 0.00 0.00 179.25 179.77 2p86 h GLU 131 N 0.67 0.24 0.00 0.00 4.57 -1.08 -3.42 114.58 115.57 2p86 h GLU 131 Ca 0.16 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2p86 h GLU 131 Cb 0.15 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2p86 h GLU 131 CO -0.01 1.16 -0.79 0.09 -1.18 0.00 0.00 179.01 178.27 2p86 n ASN 132 N -3.48 3.25 0.00 1.04 3.02 0.14 -5.11 115.26 114.12 2p86 n ASN 132 Ca -0.11 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2p86 n ASN 132 Cb 1.03 1.06 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 2p86 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p86 n GLY 133 N 2.00 0.82 3.64 7.41 0.00 -0.53 -4.80 105.19 113.71 2p86 n GLY 133 Ca -0.00 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2p86 n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2p86 n PRO 134 N -0.62 1.53 -5.13 1.61 -0.02 -1.26 -4.57 135.00 126.55 2p86 n PRO 134 Ca 0.00 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.71 2p86 n PRO 134 Cb 0.00 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 2p86 n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2p86 s LEU 135 N -0.83 2.25 0.16 2.45 1.43 -0.51 -4.73 118.68 118.90 2p86 s LEU 135 Ca 0.62 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 2p86 s LEU 135 Cb -0.55 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 2p86 s LEU 135 CO 0.57 0.31 1.23 0.00 0.23 0.00 0.00 176.35 178.70 2p86 s ALA 136 N -0.68 3.45 0.05 4.21 0.00 -0.42 -0.53 121.76 127.84 2p86 s ALA 136 Ca 0.11 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2p86 s ALA 136 Cb -0.10 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2p86 s ALA 136 CO 0.00 -0.43 -0.04 0.96 0.00 0.00 0.00 175.76 176.25 2p86 s ILE 137 N 0.26 0.33 0.03 0.00 -4.36 -0.73 -0.95 121.20 115.78 2p86 s ILE 137 Ca 0.55 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 2p86 s ILE 137 Cb -0.33 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 2p86 s ILE 137 CO 0.35 -0.74 0.07 0.00 0.24 0.00 0.00 174.94 174.87 2p86 s ALA 138 N -2.76 3.56 0.12 2.27 0.00 -1.16 -0.94 121.76 122.85 2p86 s ALA 138 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2p86 s ALA 138 Cb -0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2p86 s ALA 138 CO -0.05 0.71 0.01 0.14 0.00 0.00 0.00 175.76 176.58 2p86 s VAL 139 N -1.27 0.34 -0.32 0.00 -7.23 -0.20 -4.20 120.40 107.52 2p86 s VAL 139 Ca 0.25 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.23 2p86 s VAL 139 Cb -0.12 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.90 2p86 s VAL 139 CO 0.17 -0.60 1.04 -0.62 -0.31 0.00 0.00 175.10 174.77 2p86 s ASP 140 N -3.06 6.89 0.00 4.85 3.68 -0.07 -1.10 116.67 127.86 2p86 s ASP 140 Ca 0.20 0.98 0.14 0.00 2.13 0.00 0.00 52.55 56.00 2p86 s ASP 140 Cb 0.07 -2.52 0.45 0.00 -1.45 0.00 0.00 42.92 39.47 2p86 s ASP 140 CO -0.00 -0.85 1.35 0.00 0.13 0.00 0.00 175.17 175.80 2p86 n ALA 141 N 6.79 2.47 -0.17 3.66 0.00 -1.26 -4.47 120.51 127.53 2p86 n ALA 141 Ca 0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 2p86 n ALA 141 Cb 0.47 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 18.99 2p86 n ALA 141 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2p86 h THR 142 N 2.13 0.75 0.00 0.00 2.02 -1.92 -0.14 112.91 115.76 2p86 h THR 142 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2p86 h THR 142 Cb 0.48 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2p86 h THR 142 CO 0.00 0.05 0.00 -1.20 0.37 0.00 0.00 175.52 174.74 2p86 n SER 143 N -5.07 0.76 0.19 4.18 7.64 -1.26 -2.85 113.62 117.22 2p86 n SER 143 Ca 0.06 0.59 0.04 0.00 1.01 0.00 0.00 58.87 60.58 2p86 n SER 143 Cb 0.24 -0.79 0.40 0.00 -1.01 0.00 0.00 64.21 63.05 2p86 n SER 143 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2p86 h PHE 144 N 0.00 0.00 0.00 1.43 -1.00 -1.30 -3.20 116.94 112.87 2p86 h PHE 144 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2p86 h PHE 144 Cb 0.65 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 2p86 h PHE 144 CO 0.00 0.35 -0.15 0.52 -1.61 0.00 0.00 178.31 177.42 2p86 h MET 145 N 0.00 0.00 -0.13 1.51 2.86 -1.44 -2.42 114.93 115.31 2p86 h MET 145 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2p86 h MET 145 Cb 0.69 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2p86 h MET 145 CO 0.05 0.15 -0.01 -0.25 1.06 0.00 0.00 176.91 177.91 2p86 n ASP 146 N -4.21 3.05 -4.74 1.22 8.00 -1.22 -5.02 116.55 113.63 2p86 n ASP 146 Ca -0.02 -3.08 -0.41 0.00 0.71 0.00 0.00 54.79 51.98 2p86 n ASP 146 Cb 0.23 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 2p86 n ASP 146 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2p86 s TYR 147 N -2.87 3.30 -0.04 1.24 6.14 -0.91 -4.92 117.35 119.29 2p86 s TYR 147 Ca 0.37 1.26 0.06 0.00 0.64 0.00 0.00 57.07 59.40 2p86 s TYR 147 Cb 0.31 -3.56 0.09 0.00 0.42 0.00 0.00 41.96 39.23 2p86 s TYR 147 CO 0.05 -1.71 1.00 0.09 0.64 0.00 0.00 175.55 175.62 2p86 n ASN 148 N 2.71 0.86 0.00 4.32 5.03 -1.26 -4.55 115.26 122.37 2p86 n ASN 148 Ca 0.06 -2.24 0.00 0.00 0.87 0.00 0.00 54.58 53.27 2p86 n ASN 148 Cb 0.43 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 2p86 n ASN 148 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2p86 n GLY 149 N -0.48 3.08 2.54 7.41 0.00 -1.26 -5.00 105.19 111.47 2p86 n GLY 149 Ca 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2p86 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p86 n GLY 150 N -0.39 -1.84 3.49 -0.02 0.00 -1.26 -4.90 105.19 100.26 2p86 n GLY 150 Ca 0.00 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2p86 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p86 s ILE 151 N -0.01 5.04 0.23 -0.61 1.01 -1.26 -4.11 121.20 121.49 2p86 s ILE 151 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2p86 s ILE 151 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2p86 s ILE 151 CO 0.00 -0.02 1.38 -0.76 0.00 0.00 0.00 174.94 175.54 2p86 s LEU 152 N 1.68 4.40 0.00 2.97 1.43 -0.40 -4.77 118.68 123.98 2p86 s LEU 152 Ca 0.05 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2p86 s LEU 152 Cb -0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2p86 s LEU 152 CO 0.09 -0.62 0.00 0.35 0.23 0.00 0.00 176.35 176.40 2p86 n THR 153 N 2.45 0.00 -2.46 5.49 -2.24 -1.26 -0.27 114.28 115.99 2p86 n THR 153 Ca 0.06 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2p86 n THR 153 Cb 0.41 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.55 2p86 n THR 153 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2p86 n SER 154 N -0.99 3.21 -4.75 3.42 3.41 -1.26 -4.98 113.62 111.67 2p86 n SER 154 Ca 0.00 -2.95 -0.41 0.00 -0.26 0.00 0.00 58.87 55.25 2p86 n SER 154 Cb 0.00 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.51 2p86 n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p86 s THR 156 N -0.16 2.73 -0.47 0.00 2.01 -1.26 -4.31 115.64 114.18 2p86 s THR 156 Ca 0.62 0.34 0.08 0.00 0.31 0.00 0.00 61.69 63.04 2p86 s THR 156 Cb -0.47 -3.22 0.30 0.00 0.01 0.00 0.00 72.50 69.12 2p86 s THR 156 CO 0.50 0.01 0.72 -1.20 -0.69 0.00 0.00 174.62 173.96 2p86 n SER 157 N 5.02 1.98 0.00 3.53 7.64 -1.26 -4.32 113.62 126.21 2p86 n SER 157 Ca 0.16 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2p86 n SER 157 Cb 0.39 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2p86 n SER 157 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2p86 n GLU 158 N 0.58 1.49 -3.68 1.43 -0.58 -1.26 -4.79 120.64 113.83 2p86 n GLU 158 Ca 0.26 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.90 2p86 n GLU 158 Cb 0.52 -0.94 -0.10 0.00 -0.57 0.00 0.00 31.44 30.35 2p86 n GLU 158 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2p86 s GLN 159 N -1.88 0.38 0.18 3.49 2.00 -1.26 -5.10 119.66 117.47 2p86 s GLN 159 Ca 0.00 0.86 -0.31 0.00 -2.00 0.00 0.00 55.36 53.90 2p86 s GLN 159 Cb 0.00 0.06 -0.10 0.00 0.80 0.00 0.00 33.01 33.77 2p86 s GLN 159 CO 0.00 -0.18 1.57 -0.51 -0.50 0.00 0.00 175.29 175.66 2p86 s LEU 160 N 1.70 4.37 0.00 3.68 1.43 -1.26 -3.94 118.68 124.66 2p86 s LEU 160 Ca -0.08 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2p86 s LEU 160 Cb -0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2p86 s LEU 160 CO -0.13 -0.82 0.29 -0.90 0.23 0.00 0.00 176.35 175.02 2p86 n ASP 161 N 3.78 0.00 -3.70 2.29 3.85 -0.26 -4.90 116.55 117.61 2p86 n ASP 161 Ca 0.13 -1.05 -0.14 0.00 -0.71 0.00 0.00 54.79 53.02 2p86 n ASP 161 Cb 0.38 -0.01 -0.09 0.00 -1.35 0.00 0.00 41.12 40.05 2p86 n ASP 161 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 2p86 s HIS 162 N 0.00 -0.52 -0.11 2.11 5.04 -0.82 -4.87 115.29 116.12 2p86 s HIS 162 Ca 0.00 1.23 -0.00 0.00 -1.54 0.00 0.00 55.06 54.74 2p86 s HIS 162 Cb 0.00 0.19 -0.02 0.00 0.04 0.00 0.00 32.58 32.79 2p86 s HIS 162 CO 0.00 -0.29 -0.08 0.20 -2.34 0.00 0.00 174.74 172.22 2p86 s GLY 163 N 0.04 1.64 0.17 1.59 0.00 -1.26 -1.03 107.32 108.47 2p86 s GLY 163 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2p86 s GLY 163 CO 0.02 -0.37 0.15 3.33 0.00 0.00 0.00 173.10 176.23 2p86 n VAL 164 N 2.96 0.00 -4.22 1.40 0.24 -0.11 -4.42 118.33 114.18 2p86 n VAL 164 Ca -0.18 -1.18 -0.29 0.00 -2.04 0.00 0.00 64.34 60.65 2p86 n VAL 164 Cb 0.53 0.60 -0.17 0.00 -1.47 0.00 0.00 33.84 33.33 2p86 n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2p86 s LEU 165 N 0.00 1.65 -0.32 1.34 2.96 -0.95 -1.77 118.68 121.58 2p86 s LEU 165 Ca 0.19 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 2p86 s LEU 165 Cb 0.01 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.60 2p86 s LEU 165 CO 0.14 -0.03 0.80 -0.22 -1.32 0.00 0.00 176.35 175.72 2p86 s LEU 166 N 1.26 4.09 -0.00 -0.68 2.96 0.31 -0.32 118.68 126.29 2p86 s LEU 166 Ca -0.01 0.60 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 2p86 s LEU 166 Cb -0.14 -3.09 -0.10 0.00 0.50 0.00 0.00 46.19 43.37 2p86 s LEU 166 CO -0.06 -0.66 0.32 1.33 -1.32 0.00 0.00 176.35 175.96 2p86 n VAL 167 N 5.62 0.00 -4.03 1.68 0.24 -0.21 -1.42 118.33 120.21 2p86 n VAL 167 Ca 0.04 -0.29 0.03 0.00 -2.04 0.00 0.00 64.34 62.08 2p86 n VAL 167 Cb 0.48 0.87 0.01 0.00 -1.47 0.00 0.00 33.84 33.73 2p86 n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2p86 n GLY 168 N 1.35 0.21 3.70 7.63 0.00 -1.14 -1.47 105.19 115.47 2p86 n GLY 168 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2p86 n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2p86 s TYR 169 N -2.03 -0.23 -0.20 1.61 -0.85 -0.18 -0.82 117.35 114.65 2p86 s TYR 169 Ca 0.20 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.56 2p86 s TYR 169 Cb -0.00 0.60 0.10 0.00 0.38 0.00 0.00 41.96 43.05 2p86 s TYR 169 CO -0.02 -1.10 0.31 1.21 -1.52 0.00 0.00 175.55 174.44 2p86 s ASN 170 N -2.88 0.57 0.34 -0.18 3.04 0.11 -1.38 114.94 114.55 2p86 s ASN 170 Ca 0.09 0.23 0.23 0.00 0.04 0.00 0.00 52.86 53.46 2p86 s ASN 170 Cb -0.04 0.83 0.35 0.00 -1.54 0.00 0.00 41.25 40.85 2p86 s ASN 170 CO 0.01 -0.29 1.51 0.44 -3.04 0.00 0.00 177.10 175.74 2p86 h ASP 171 N 8.24 0.00 -0.59 -4.21 3.45 -1.07 -1.66 116.42 120.59 2p86 h ASP 171 Ca -0.17 -0.01 -0.71 0.00 0.43 0.00 0.00 57.03 56.56 2p86 h ASP 171 Cb 1.14 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.86 2p86 h ASP 171 CO 0.23 0.01 3.05 0.00 -1.57 0.00 0.00 179.24 180.96 2p86 n ALA 172 N -2.05 6.86 -3.47 3.45 0.00 -1.26 -4.51 120.51 119.53 2p86 n ALA 172 Ca 0.03 -3.86 -0.17 0.00 0.00 0.00 0.00 53.44 49.45 2p86 n ALA 172 Cb 0.51 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 2p86 n ALA 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p86 s SER 173 N 1.44 -0.57 -0.58 0.00 0.15 -1.26 -5.04 113.70 107.83 2p86 s SER 173 Ca 0.58 0.66 -0.08 0.00 0.70 0.00 0.00 55.95 57.82 2p86 s SER 173 Cb 0.17 0.58 0.15 0.00 -1.71 0.00 0.00 66.02 65.20 2p86 s SER 173 CO -0.07 -0.54 0.44 0.20 1.20 0.00 0.00 173.24 174.47 2p86 s ASN 174 N -1.06 5.73 0.53 5.45 0.02 -1.26 -1.99 114.94 122.35 2p86 s ASN 174 Ca -0.10 -2.35 0.03 0.00 -1.02 0.00 0.00 52.86 49.42 2p86 s ASN 174 Cb -0.01 -1.99 0.04 0.00 0.02 0.00 0.00 41.25 39.30 2p86 s ASN 174 CO 0.08 -0.56 0.74 -2.16 0.02 0.00 0.00 177.10 175.21 2p86 s PRO 175 N 0.69 2.55 0.65 -0.60 0.04 -1.26 -5.12 135.00 131.94 2p86 s PRO 175 Ca 0.11 -0.97 -0.18 0.00 0.04 0.00 0.00 61.00 60.01 2p86 s PRO 175 Cb -0.21 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2p86 s PRO 175 CO -0.03 -0.66 1.24 -2.30 0.04 0.00 0.00 177.00 175.29 2p86 n PRO 176 N -2.24 1.06 -4.03 0.56 -0.02 -0.84 -4.91 135.00 124.57 2p86 n PRO 176 Ca 0.09 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 2p86 n PRO 176 Cb 0.60 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 2p86 n PRO 176 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2p86 s TYR 177 N -1.41 0.40 0.29 6.00 -0.85 -0.62 -1.04 117.35 120.12 2p86 s TYR 177 Ca 0.82 -0.75 -0.09 0.00 -0.52 0.00 0.00 57.07 56.52 2p86 s TYR 177 Cb -0.38 -0.29 -0.07 0.00 0.38 0.00 0.00 41.96 41.60 2p86 s TYR 177 CO 0.41 -0.26 0.61 -1.58 -1.52 0.00 0.00 175.55 173.22 2p86 s TRP 178 N -2.50 3.44 -0.21 -3.49 0.52 0.19 -0.72 118.94 116.18 2p86 s TRP 178 Ca -0.06 0.87 -0.02 0.00 0.02 0.00 0.00 56.10 56.91 2p86 s TRP 178 Cb -0.02 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 2p86 s TRP 178 CO -0.05 0.14 -0.09 0.42 0.02 0.00 0.00 176.95 177.40 2p86 s ILE 179 N -2.03 3.00 -0.10 2.03 1.01 0.00 -2.51 121.20 122.61 2p86 s ILE 179 Ca 0.48 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2p86 s ILE 179 Cb -0.11 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2p86 s ILE 179 CO 0.26 0.45 -0.19 -0.63 0.00 0.00 0.00 174.94 174.83 2p86 s ILE 180 N 1.42 1.68 -0.25 2.92 1.01 -0.29 -1.05 121.20 126.66 2p86 s ILE 180 Ca 0.05 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 2p86 s ILE 180 Cb -0.14 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2p86 s ILE 180 CO -0.06 0.48 0.79 -0.75 0.00 0.00 0.00 174.94 175.39 2p86 s LYS 181 N 0.65 4.16 0.56 2.79 2.20 0.56 -1.15 119.74 129.50 2p86 s LYS 181 Ca -0.13 0.85 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 2p86 s LYS 181 Cb -0.16 -3.65 0.06 0.00 -1.51 0.00 0.00 37.83 32.57 2p86 s LYS 181 CO 0.04 -0.50 0.77 1.21 -0.36 0.00 0.00 175.35 176.50 2p86 s ASN 182 N 1.37 5.14 -0.31 1.43 2.47 -0.77 -2.24 114.94 122.03 2p86 s ASN 182 Ca 0.33 -0.46 0.09 0.00 0.42 0.00 0.00 52.86 53.24 2p86 s ASN 182 Cb -0.15 -0.27 0.46 0.00 -1.45 0.00 0.00 41.25 39.84 2p86 s ASN 182 CO 0.08 -1.25 1.17 -1.54 -3.72 0.00 0.00 177.10 171.83 2p86 n SER 183 N -2.28 4.45 -0.85 -4.21 3.41 -1.26 -4.56 113.62 108.32 2p86 n SER 183 Ca 0.12 -3.53 0.02 0.00 -0.26 0.00 0.00 58.87 55.22 2p86 n SER 183 Cb 0.60 -0.37 0.20 0.00 -0.26 0.00 0.00 64.21 64.38 2p86 n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2p86 n TRP 184 N -0.66 0.67 0.00 7.33 8.01 -1.21 -0.85 117.44 130.73 2p86 n TRP 184 Ca 0.38 -1.40 0.00 0.00 -1.31 0.00 0.00 57.50 55.18 2p86 n TRP 184 Cb 0.91 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 2p86 n TRP 184 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2p86 n SER 185 N -1.08 0.00 0.00 -0.99 3.41 -0.49 -4.26 113.62 110.21 2p86 n SER 185 Ca 0.26 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 2p86 n SER 185 Cb 0.88 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.56 2p86 n SER 185 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2p86 n ASN 186 N -2.18 0.00 0.06 4.04 0.23 -1.26 -2.80 115.26 113.34 2p86 n ASN 186 Ca 0.00 -0.91 0.12 0.00 -0.53 0.00 0.00 54.58 53.26 2p86 n ASN 186 Cb 0.00 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 37.92 2p86 n ASN 186 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2p86 n MET 187 N -0.96 0.25 -3.53 -3.83 2.81 -1.26 -3.43 117.12 107.17 2p86 n MET 187 Ca 0.18 0.09 -0.37 0.00 -1.81 0.00 0.00 57.70 55.78 2p86 n MET 187 Cb 0.08 -1.67 -0.06 0.00 -0.71 0.00 0.00 33.22 30.86 2p86 n MET 187 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 2p86 s TRP 188 N -3.14 3.70 0.00 2.03 -0.00 -1.12 -4.88 118.94 115.53 2p86 s TRP 188 Ca 0.07 0.94 0.00 0.00 -0.00 0.00 0.00 56.10 57.11 2p86 s TRP 188 Cb 0.14 -2.25 0.00 0.00 -0.00 0.00 0.00 33.47 31.36 2p86 s TRP 188 CO 0.70 0.63 0.00 0.41 -0.00 0.00 0.00 176.95 178.69 2p86 n GLY 189 N 1.65 2.11 3.36 5.86 0.00 -1.26 -0.05 105.19 116.86 2p86 n GLY 189 Ca -0.13 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 2p86 n GLY 189 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p86 s GLU 190 N 0.00 4.01 -1.46 1.61 2.02 0.40 -4.52 118.70 120.77 2p86 s GLU 190 Ca 0.00 -2.87 -0.06 0.00 0.02 0.00 0.00 54.97 52.06 2p86 s GLU 190 Cb 0.00 -4.61 0.03 0.00 0.10 0.00 0.00 34.13 29.64 2p86 s GLU 190 CO 0.00 -1.35 0.51 -0.25 0.02 0.00 0.00 175.26 174.19 2p86 n ASP 191 N 3.61 -5.28 0.00 -0.19 8.00 -1.25 -1.63 116.55 119.82 2p86 n ASP 191 Ca 0.23 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2p86 n ASP 191 Cb 0.42 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 2p86 n ASP 191 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p86 n GLY 192 N -1.36 0.41 3.82 0.44 0.00 0.93 -4.64 105.19 104.78 2p86 n GLY 192 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2p86 n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p86 s TYR 193 N -2.14 2.98 0.00 1.61 2.02 -0.64 -1.85 117.35 119.33 2p86 s TYR 193 Ca 0.00 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2p86 s TYR 193 Cb 0.00 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2p86 s TYR 193 CO 0.00 0.37 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.79 2p86 s ILE 194 N -2.23 0.51 -0.14 2.71 2.07 -0.30 -0.45 121.20 123.37 2p86 s ILE 194 Ca 0.36 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 59.19 2p86 s ILE 194 Cb -0.07 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 2p86 s ILE 194 CO 0.25 0.09 0.03 -0.13 -1.91 0.00 0.00 174.94 173.27 2p86 s ARG 195 N -0.31 3.55 0.08 3.50 0.52 -1.26 -1.14 118.95 123.90 2p86 s ARG 195 Ca 0.01 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 2p86 s ARG 195 Cb -0.03 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 2p86 s ARG 195 CO -0.00 0.46 -0.17 0.96 0.02 0.00 0.00 175.30 176.57 2p86 s ILE 196 N -0.19 1.41 0.40 1.52 -4.36 -1.04 -1.28 121.20 117.66 2p86 s ILE 196 Ca 0.06 -1.35 -0.26 0.00 -0.26 0.00 0.00 60.65 58.84 2p86 s ILE 196 Cb -0.12 -1.29 -0.10 0.00 1.25 0.00 0.00 42.46 42.19 2p86 s ILE 196 CO 0.02 -0.08 1.37 1.21 0.24 0.00 0.00 174.94 177.69 2p86 n GLU 197 N 1.35 2.22 -3.78 0.37 2.13 0.62 -0.63 120.64 122.92 2p86 n GLU 197 Ca -0.20 0.79 -0.36 0.00 0.66 0.00 0.00 57.16 58.05 2p86 n GLU 197 Cb 0.54 -2.50 -0.09 0.00 0.27 0.00 0.00 31.44 29.65 2p86 n GLU 197 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2p86 s LYS 198 N -2.19 4.04 0.00 5.31 2.20 -0.20 -4.36 119.74 124.54 2p86 s LYS 198 Ca 0.58 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 2p86 s LYS 198 Cb -0.50 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2p86 s LYS 198 CO 0.60 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 2p86 n GLY 199 N 3.94 1.10 0.51 5.54 0.00 -1.26 -4.62 105.19 110.40 2p86 n GLY 199 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.93 2p86 n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2p86 n THR 200 N -0.37 1.49 -4.17 2.61 -2.24 -1.26 -5.00 114.28 105.34 2p86 n THR 200 Ca 0.00 -2.14 -0.30 0.00 -2.27 0.00 0.00 64.05 59.34 2p86 n THR 200 Cb 0.00 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 2p86 n THR 200 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2p86 n ASN 201 N -0.87 -0.15 -4.73 3.42 5.15 -1.26 -4.85 115.26 111.97 2p86 n ASN 201 Ca 0.14 -1.14 -0.42 0.00 -0.60 0.00 0.00 54.58 52.56 2p86 n ASN 201 Cb 0.73 -2.31 -0.02 0.00 -0.53 0.00 0.00 39.78 37.65 2p86 n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2p86 n GLN 202 N -4.46 2.69 -1.51 1.20 1.13 -1.26 -2.04 117.38 113.13 2p86 n GLN 202 Ca -0.25 0.96 -0.18 0.00 -1.94 0.00 0.00 57.00 55.59 2p86 n GLN 202 Cb 0.66 -2.77 -0.08 0.00 0.11 0.00 0.00 30.24 28.16 2p86 n GLN 202 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2p86 n LEU 204 N -2.01 -1.70 0.31 0.00 4.77 -0.87 -0.90 117.00 116.61 2p86 n LEU 204 Ca -0.18 0.08 0.21 0.00 -0.03 0.00 0.00 56.01 56.09 2p86 n LEU 204 Cb 0.59 -2.55 1.05 0.00 -2.33 0.00 0.00 43.42 40.19 2p86 n LEU 204 CO 0.27 -0.34 1.11 0.00 -1.33 0.00 0.00 177.39 177.11 2p86 h MET 205 N 0.00 0.00 -0.01 3.23 -0.00 -1.52 -1.99 114.93 114.65 2p86 h MET 205 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 2p86 h MET 205 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 2p86 h MET 205 CO 0.50 0.00 -0.09 0.27 -0.00 0.00 0.00 176.91 177.59 2p86 n ASN 206 N -2.98 0.66 0.04 -0.10 0.23 -1.26 -4.48 115.26 107.37 2p86 n ASN 206 Ca -0.02 -0.85 -0.10 0.00 -0.53 0.00 0.00 54.58 53.08 2p86 n ASN 206 Cb 0.11 -0.03 -0.13 0.00 -2.08 0.00 0.00 39.78 37.65 2p86 n ASN 206 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2p86 h GLN 207 N 0.90 0.06 -1.62 -3.83 4.20 -1.63 -3.35 115.11 109.83 2p86 h GLN 207 Ca 0.00 -0.10 -0.47 0.00 0.06 0.00 0.00 58.65 58.14 2p86 h GLN 207 Cb 0.35 0.04 -0.35 0.00 0.30 0.00 0.00 27.48 27.82 2p86 h GLN 207 CO 0.00 0.88 -1.01 0.00 -0.67 0.00 0.00 178.83 178.03 2p86 n ALA 208 N -2.48 1.62 -2.74 3.87 0.00 -1.26 -4.87 120.51 114.65 2p86 n ALA 208 Ca -0.08 -3.02 -0.36 0.00 0.00 0.00 0.00 53.44 49.97 2p86 n ALA 208 Cb 1.00 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 2p86 n ALA 208 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2p86 s VAL 209 N -1.20 5.36 0.17 0.00 1.01 -1.26 -2.99 120.40 121.49 2p86 s VAL 209 Ca 0.35 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 2p86 s VAL 209 Cb 0.24 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2p86 s VAL 209 CO -0.12 0.48 0.33 -0.94 0.00 0.00 0.00 175.10 174.86 2p86 s SER 210 N -0.09 -0.02 -0.14 3.32 1.04 -0.12 -1.06 113.70 116.64 2p86 s SER 210 Ca 0.14 -0.79 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 2p86 s SER 210 Cb -0.12 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.50 2p86 s SER 210 CO 0.03 -0.93 0.42 -0.55 0.98 0.00 0.00 173.24 173.19 2p86 s SER 211 N -2.95 -0.42 0.75 7.02 0.15 -0.57 -1.30 113.70 116.39 2p86 s SER 211 Ca 0.15 0.74 -0.13 0.00 0.70 0.00 0.00 55.95 57.42 2p86 s SER 211 Cb 0.02 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.17 2p86 s SER 211 CO -0.01 -0.21 1.16 0.00 1.20 0.00 0.00 173.24 175.38 2p86 s ALA 212 N -0.04 2.10 -0.21 5.45 0.00 -1.26 -0.60 121.76 127.19 2p86 s ALA 212 Ca -0.02 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 2p86 s ALA 212 Cb -0.03 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2p86 s ALA 212 CO 0.01 -1.89 -0.04 0.08 0.00 0.00 0.00 175.76 173.92 2p86 s VAL 213 N -2.33 3.42 -0.16 0.00 1.01 0.21 -4.82 120.40 117.72 2p86 s VAL 213 Ca 0.69 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2p86 s VAL 213 Cb -0.24 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2p86 s VAL 213 CO 0.48 0.43 0.30 -0.69 0.00 0.00 0.00 175.10 175.63 2p86 s VAL 214 N 1.32 5.30 0.00 2.92 1.01 -1.26 -0.68 120.40 129.01 2p86 s VAL 214 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2p86 s VAL 214 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2p86 s VAL 214 CO -0.02 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.08