#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf8 h SER 2 N 0.00 0.00 0.00 7.83 4.64 -1.93 -3.02 113.55 121.08 1nf8 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nf8 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nf8 h SER 2 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1nf8 n GLY 3 N -0.91 1.81 3.66 -0.77 0.00 -1.26 -4.36 105.19 103.36 1nf8 n GLY 3 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1nf8 n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nf8 s ILE 4 N -3.23 5.09 0.83 -0.61 1.01 -1.26 -4.96 121.20 118.07 1nf8 s ILE 4 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 60.65 61.51 1nf8 s ILE 4 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 42.46 38.71 1nf8 s ILE 4 CO 0.00 0.16 1.16 -2.16 0.00 0.00 0.00 174.94 174.11 1nf8 s PRO 5 N 1.71 1.82 0.14 2.79 0.04 -1.26 -4.97 135.00 135.27 1nf8 s PRO 5 Ca 0.24 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.15 1nf8 s PRO 5 Cb -0.15 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1nf8 s PRO 5 CO 0.10 -1.71 1.64 -1.21 0.04 0.00 0.00 177.00 175.85 1nf8 s GLU 6 N -5.49 4.19 -0.21 4.56 0.41 -1.26 -4.98 118.70 115.91 1nf8 s GLU 6 Ca 0.62 2.41 -0.06 0.00 -0.41 0.00 0.00 54.97 57.52 1nf8 s GLU 6 Cb -0.12 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.88 1nf8 s GLU 6 CO 0.50 -0.69 0.04 0.42 -0.49 0.00 0.00 175.26 175.05 1nf8 s ILE 7 N 1.75 4.29 0.00 -1.63 1.01 -1.26 -5.01 121.20 120.34 1nf8 s ILE 7 Ca 0.73 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 1nf8 s ILE 7 Cb -0.44 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 1nf8 s ILE 7 CO 0.32 0.40 0.42 -0.89 0.00 0.00 0.00 174.94 175.19 1nf8 s THR 8 N 1.10 5.01 0.37 2.92 2.01 -1.26 -4.39 115.64 121.39 1nf8 s THR 8 Ca 0.03 0.88 -0.27 0.00 0.31 0.00 0.00 61.69 62.64 1nf8 s THR 8 Cb -0.14 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 1nf8 s THR 8 CO 0.03 0.57 1.30 0.00 -0.69 0.00 0.00 174.62 175.82 1nf8 n ALA 9 N 1.88 1.36 -3.13 7.40 0.00 -1.26 -4.83 120.51 121.94 1nf8 n ALA 9 Ca -0.13 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1nf8 n ALA 9 Cb 0.52 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 1nf8 n ALA 9 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nf8 s TYR 10 N -1.13 -0.19 0.29 0.00 -0.85 -1.26 -5.00 117.35 109.22 1nf8 s TYR 10 Ca 0.57 0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.98 1nf8 s TYR 10 Cb -0.55 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 41.84 1nf8 s TYR 10 CO 0.61 -0.50 1.13 -2.14 -1.52 0.00 0.00 175.55 173.14 1nf8 s PRO 11 N -2.15 4.60 0.42 -3.49 0.02 -1.26 -4.83 135.00 128.30 1nf8 s PRO 11 Ca -0.08 1.86 -0.25 0.00 0.02 0.00 0.00 61.00 62.56 1nf8 s PRO 11 Cb -0.02 -3.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 1nf8 s PRO 11 CO -0.01 0.15 1.27 -0.51 -0.33 0.00 0.00 177.00 177.57 1nf8 s LEU 12 N -1.51 4.15 0.46 -5.54 1.43 -1.26 -4.97 118.68 111.45 1nf8 s LEU 12 Ca 0.45 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.89 1nf8 s LEU 12 Cb -0.33 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 1nf8 s LEU 12 CO 0.43 -0.89 1.16 -2.16 0.23 0.00 0.00 176.35 175.12 1nf8 s PRO 13 N -2.36 3.75 0.47 1.29 0.04 -1.26 -5.04 135.00 131.89 1nf8 s PRO 13 Ca 0.59 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1nf8 s PRO 13 Cb -0.36 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.79 1nf8 s PRO 13 CO 0.45 -0.55 0.68 0.95 0.04 0.00 0.00 177.00 178.57 1nf8 s THR 14 N -1.56 3.65 0.40 1.26 -4.23 -1.26 -4.57 115.64 109.33 1nf8 s THR 14 Ca 0.64 -0.59 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1nf8 s THR 14 Cb -0.28 -3.34 0.33 0.00 1.34 0.00 0.00 72.50 70.55 1nf8 s THR 14 CO 0.34 -0.23 1.92 0.00 -0.54 0.00 0.00 174.62 176.12 1nf8 h ALA 15 N 0.36 1.94 0.00 3.99 0.00 -1.99 0.08 119.26 123.65 1nf8 h ALA 15 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nf8 h ALA 15 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nf8 h ALA 15 CO 0.55 -0.12 0.00 1.96 0.00 0.00 0.00 179.25 181.64 1nf8 h GLN 16 N 0.56 0.00 -0.07 0.00 7.50 -2.03 -2.83 115.11 118.24 1nf8 h GLN 16 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 1nf8 h GLN 16 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.18 1nf8 h GLN 16 CO -0.13 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 178.24 1nf8 n GLN 17 N -2.58 2.29 -2.68 1.46 6.02 0.01 -4.95 117.38 116.96 1nf8 n GLN 17 Ca 0.02 -1.89 -0.35 0.00 -0.01 0.00 0.00 57.00 54.78 1nf8 n GLN 17 Cb 0.31 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.05 1nf8 n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nf8 s LEU 18 N -1.94 4.05 0.62 1.08 1.43 -1.07 -4.95 118.68 117.90 1nf8 s LEU 18 Ca 0.30 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 1nf8 s LEU 18 Cb 0.20 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1nf8 s LEU 18 CO 0.30 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.38 1nf8 s PRO 19 N -2.78 3.10 0.21 1.29 0.04 -1.26 -4.97 135.00 130.63 1nf8 s PRO 19 Ca 0.60 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 1nf8 s PRO 19 Cb -0.16 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1nf8 s PRO 19 CO 0.21 -1.00 1.48 0.00 0.04 0.00 0.00 177.00 177.72 1nf8 s ALA 20 N -2.34 3.68 0.21 8.56 0.00 -1.26 -4.93 121.76 125.68 1nf8 s ALA 20 Ca 0.66 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.65 1nf8 s ALA 20 Cb -0.19 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 1nf8 s ALA 20 CO 0.38 -0.75 1.04 -0.80 0.00 0.00 0.00 175.76 175.62 1nf8 s ASN 21 N 0.67 7.40 -0.01 0.00 0.01 -1.26 -4.67 114.94 117.08 1nf8 s ASN 21 Ca 0.63 2.05 0.16 0.00 -0.71 0.00 0.00 52.86 55.00 1nf8 s ASN 21 Cb -0.42 -2.61 -0.19 0.00 0.41 0.00 0.00 41.25 38.44 1nf8 s ASN 21 CO 0.39 -0.08 0.66 0.18 -1.51 0.00 0.00 177.10 176.73 1nf8 n LEU 22 N 1.92 0.69 -4.84 0.60 4.77 -0.95 -4.94 117.00 114.24 1nf8 n LEU 22 Ca 0.00 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 56.01 1nf8 n LEU 22 Cb 0.46 0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.81 1nf8 n LEU 22 CO 0.52 0.24 0.75 0.00 -1.33 0.00 0.00 177.39 177.57 1nf8 s ALA 23 N -2.82 2.22 -0.17 -1.18 0.00 -1.26 -5.03 121.76 113.52 1nf8 s ALA 23 Ca -0.05 -0.53 0.18 0.00 0.00 0.00 0.00 51.96 51.56 1nf8 s ALA 23 Cb 0.08 -3.01 0.45 0.00 0.00 0.00 0.00 23.12 20.65 1nf8 s ALA 23 CO 0.82 -1.93 1.17 0.54 0.00 0.00 0.00 175.76 176.36 1nf8 n ARG 24 N -3.52 1.48 -2.24 0.00 5.12 -1.26 -5.01 116.66 111.23 1nf8 n ARG 24 Ca 0.07 -3.09 -0.32 0.00 -1.93 0.00 0.00 57.85 52.58 1nf8 n ARG 24 Cb 0.60 -1.21 -0.01 0.00 -1.16 0.00 0.00 32.46 30.67 1nf8 n ARG 24 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nf8 s TRP 25 N -2.39 3.27 -0.08 -1.55 0.51 -1.26 -5.05 118.94 112.39 1nf8 s TRP 25 Ca 0.36 1.48 0.01 0.00 -2.12 0.00 0.00 56.10 55.83 1nf8 s TRP 25 Cb 0.37 -2.88 0.02 0.00 -0.81 0.00 0.00 33.47 30.17 1nf8 s TRP 25 CO -0.08 -0.68 -0.09 0.45 -0.51 0.00 0.00 176.95 176.05 1nf8 s SER 26 N -2.99 1.79 -0.00 2.95 0.15 -1.26 -5.01 113.70 109.34 1nf8 s SER 26 Ca 0.61 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.69 1nf8 s SER 26 Cb -0.12 -0.76 -0.06 0.00 -1.71 0.00 0.00 66.02 63.37 1nf8 s SER 26 CO 0.34 -0.04 1.42 -0.22 1.20 0.00 0.00 173.24 175.94 1nf8 s LEU 27 N 1.12 4.32 -0.24 3.45 2.96 -1.26 -5.01 118.68 124.02 1nf8 s LEU 27 Ca -0.06 2.13 -0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1nf8 s LEU 27 Cb -0.14 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.02 1nf8 s LEU 27 CO -0.01 -0.73 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.57 1nf8 s GLU 28 N 2.47 2.76 0.31 1.98 2.02 -1.26 -5.02 118.70 121.95 1nf8 s GLU 28 Ca 0.64 -1.01 0.07 0.00 0.02 0.00 0.00 54.97 54.69 1nf8 s GLU 28 Cb -0.32 -2.88 0.86 0.00 0.10 0.00 0.00 34.13 31.89 1nf8 s GLU 28 CO 0.27 -0.39 1.65 -1.35 0.02 0.00 0.00 175.26 175.45 1nf8 h PRO 29 N 7.95 0.23 0.00 0.39 0.11 -1.95 0.18 132.00 138.91 1nf8 h PRO 29 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1nf8 h PRO 29 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1nf8 h PRO 29 CO 0.57 0.15 0.00 0.07 -0.21 0.00 0.00 178.00 178.58 1nf8 h ARG 30 N 0.23 0.00 0.00 1.05 0.11 -1.83 -2.11 114.38 111.83 1nf8 h ARG 30 Ca 0.62 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.70 1nf8 h ARG 30 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1nf8 h ARG 30 CO -0.66 0.00 -0.88 0.54 0.10 0.00 0.00 179.97 179.07 1nf8 n ARG 31 N -3.07 0.10 -4.18 0.08 1.74 0.04 -4.84 116.66 106.53 1nf8 n ARG 31 Ca -0.01 -0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 1nf8 n ARG 31 Cb 0.20 -1.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 1nf8 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nf8 s ALA 32 N -3.07 3.23 -0.05 7.54 0.00 -0.79 -0.82 121.76 127.79 1nf8 s ALA 32 Ca 0.07 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.79 1nf8 s ALA 32 Cb 0.16 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1nf8 s ALA 32 CO 0.80 0.53 -0.23 0.08 0.00 0.00 0.00 175.76 176.95 1nf8 s VAL 33 N -1.62 2.30 -0.31 0.00 1.01 -0.59 -2.55 120.40 118.64 1nf8 s VAL 33 Ca 0.27 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1nf8 s VAL 33 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1nf8 s VAL 33 CO 0.18 0.57 0.37 -0.22 0.00 0.00 0.00 175.10 176.01 1nf8 s LEU 34 N -0.39 4.22 -0.40 3.92 2.96 0.63 -0.41 118.68 129.20 1nf8 s LEU 34 Ca 0.03 0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.81 1nf8 s LEU 34 Cb -0.12 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.20 1nf8 s LEU 34 CO 0.02 -0.26 0.41 -0.22 -1.32 0.00 0.00 176.35 174.98 1nf8 s LEU 35 N 2.06 4.81 -0.74 -0.68 2.96 0.85 -0.12 118.68 127.80 1nf8 s LEU 35 Ca 0.13 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 1nf8 s LEU 35 Cb -0.16 -2.36 0.11 0.00 0.50 0.00 0.00 46.19 44.28 1nf8 s LEU 35 CO 0.11 -0.52 0.93 -0.69 -1.32 0.00 0.00 176.35 174.85 1nf8 s VAL 36 N 2.07 4.71 -0.47 1.68 1.01 0.63 -1.85 120.40 128.18 1nf8 s VAL 36 Ca 0.11 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1nf8 s VAL 36 Cb -0.17 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.60 1nf8 s VAL 36 CO 0.13 -1.34 0.69 -2.28 0.00 0.00 0.00 175.10 172.30 1nf8 s HIS 37 N 2.89 3.02 -1.44 5.22 2.46 -0.56 -1.62 115.29 125.26 1nf8 s HIS 37 Ca 0.22 -0.13 -0.10 0.00 0.47 0.00 0.00 55.06 55.52 1nf8 s HIS 37 Cb -0.14 -3.51 0.04 0.00 -0.13 0.00 0.00 32.58 28.83 1nf8 s HIS 37 CO 0.01 -0.98 1.04 0.00 -2.47 0.00 0.00 174.74 172.34 1nf8 n ALA 38 N 6.44 -1.25 -1.33 1.58 0.00 -1.05 -1.94 120.51 122.95 1nf8 n ALA 38 Ca -0.02 0.32 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1nf8 n ALA 38 Cb 0.47 -4.94 -0.09 0.00 0.00 0.00 0.00 19.45 14.90 1nf8 n ALA 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nf8 n MET 39 N -4.76 2.88 -3.39 0.00 2.81 -1.26 -4.59 117.12 108.82 1nf8 n MET 39 Ca 0.01 -1.95 -0.31 0.00 -1.81 0.00 0.00 57.70 53.63 1nf8 n MET 39 Cb 0.55 -2.32 -0.05 0.00 -0.71 0.00 0.00 33.22 30.70 1nf8 n MET 39 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1nf8 s GLN 40 N 0.36 3.77 0.26 0.03 -0.21 -1.26 -1.93 119.66 120.67 1nf8 s GLN 40 Ca 0.64 0.23 -0.02 0.00 0.02 0.00 0.00 55.36 56.23 1nf8 s GLN 40 Cb 0.28 -2.64 0.50 0.00 1.00 0.00 0.00 33.01 32.15 1nf8 s GLN 40 CO -0.08 0.29 1.76 0.00 -2.12 0.00 0.00 175.29 175.14 1nf8 h ARG 41 N 2.35 0.56 -0.96 2.91 3.08 -0.88 -1.68 114.38 119.77 1nf8 h ARG 41 Ca -0.47 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.58 1nf8 h ARG 41 Cb 1.17 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1nf8 h ARG 41 CO 0.69 0.37 0.63 -0.92 -1.07 0.00 0.00 179.97 179.66 1nf8 h TYR 42 N 0.58 1.17 0.00 3.04 5.03 -1.35 -1.30 116.97 124.15 1nf8 h TYR 42 Ca 0.44 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.78 1nf8 h TYR 42 Cb 0.62 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1nf8 h TYR 42 CO -0.11 0.69 0.00 0.74 -1.32 0.00 0.00 178.16 178.16 1nf8 h PHE 43 N 1.22 0.00 0.00 -3.82 0.04 -1.58 -3.29 116.94 109.51 1nf8 h PHE 43 Ca 0.38 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.10 1nf8 h PHE 43 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1nf8 h PHE 43 CO -0.01 0.00 -1.46 1.28 -0.60 0.00 0.00 178.31 177.53 1nf8 n LEU 44 N -3.06 0.55 -0.36 1.54 4.77 -0.95 -4.32 117.00 115.17 1nf8 n LEU 44 Ca 0.04 0.22 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1nf8 n LEU 44 Cb 0.51 0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 1nf8 n LEU 44 CO 0.33 -0.03 1.24 0.03 -1.33 0.00 0.00 177.39 177.63 1nf8 h ARG 45 N 0.00 1.00 0.00 3.23 3.08 -1.32 -1.78 114.38 118.60 1nf8 h ARG 45 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1nf8 h ARG 45 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1nf8 h ARG 45 CO 0.01 0.66 0.00 -1.35 -1.07 0.00 0.00 179.97 178.22 1nf8 h PRO 46 N 1.03 0.00 -6.75 0.04 0.11 -1.76 -3.44 132.00 121.23 1nf8 h PRO 46 Ca 0.48 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 66.09 1nf8 h PRO 46 Cb 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1nf8 h PRO 46 CO -0.23 0.00 0.41 -0.51 -0.21 0.00 0.00 178.00 177.46 1nf8 s LEU 47 N -5.13 4.59 0.65 2.35 1.43 -0.67 -4.34 118.68 117.55 1nf8 s LEU 47 Ca -0.01 2.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 1nf8 s LEU 47 Cb 0.09 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1nf8 s LEU 47 CO 0.33 -0.01 1.24 -2.16 0.23 0.00 0.00 176.35 175.98 1nf8 s PRO 48 N -1.13 2.60 0.39 1.29 0.04 -1.26 -4.70 135.00 132.23 1nf8 s PRO 48 Ca 0.44 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.45 1nf8 s PRO 48 Cb -0.29 -1.87 0.83 0.00 0.04 0.00 0.00 34.50 33.21 1nf8 s PRO 48 CO 0.36 -1.51 1.97 1.49 0.04 0.00 0.00 177.00 179.35 1nf8 h GLU 49 N 0.45 0.62 -0.86 4.56 4.57 -1.95 -0.68 114.58 121.29 1nf8 h GLU 49 Ca -0.50 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1nf8 h GLU 49 Cb 1.31 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1nf8 h GLU 49 CO 0.53 0.41 0.43 0.66 -1.18 0.00 0.00 179.01 179.86 1nf8 h SER 50 N 0.64 1.12 -0.16 1.04 4.64 -1.99 0.82 113.55 119.65 1nf8 h SER 50 Ca 0.29 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1nf8 h SER 50 Cb 0.31 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1nf8 h SER 50 CO -0.09 0.93 -0.32 0.25 -0.87 0.00 0.00 176.83 176.73 1nf8 h LEU 51 N 1.23 0.57 -0.37 5.97 5.85 -1.67 -1.88 115.31 125.00 1nf8 h LEU 51 Ca 0.30 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1nf8 h LEU 51 Cb 0.10 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1nf8 h LEU 51 CO -0.04 1.01 0.12 -0.09 -0.34 0.00 0.00 178.44 179.10 1nf8 h ARG 52 N 0.14 0.26 -0.55 1.25 2.43 -0.95 -0.93 114.38 116.04 1nf8 h ARG 52 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1nf8 h ARG 52 Cb 0.91 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1nf8 h ARG 52 CO 0.07 0.17 0.24 0.00 -1.51 0.00 0.00 179.97 178.95 1nf8 h ALA 53 N 1.25 0.72 -0.35 2.80 0.00 -0.73 0.43 119.26 123.37 1nf8 h ALA 53 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nf8 h ALA 53 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nf8 h ALA 53 CO -0.18 0.30 0.08 0.78 0.00 0.00 0.00 179.25 180.23 1nf8 h GLY 54 N 0.75 0.61 0.98 0.00 0.00 -1.17 -1.36 103.07 102.88 1nf8 h GLY 54 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1nf8 h GLY 54 CO -0.02 0.36 -0.01 -2.00 0.00 0.00 0.00 176.54 174.86 1nf8 h LEU 55 N 0.41 -0.04 -0.75 3.11 5.85 -0.90 -2.36 115.31 120.63 1nf8 h LEU 55 Ca 0.11 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1nf8 h LEU 55 Cb 0.31 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1nf8 h LEU 55 CO 0.00 -0.02 -0.53 0.58 -0.34 0.00 0.00 178.44 178.13 1nf8 h VAL 56 N -0.03 1.36 -0.35 1.05 2.07 -0.86 -1.21 116.25 118.27 1nf8 h VAL 56 Ca 0.00 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1nf8 h VAL 56 Cb 0.03 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1nf8 h VAL 56 CO -0.00 0.54 0.05 0.00 0.02 0.00 0.00 177.57 178.17 1nf8 h ALA 57 N 1.24 0.46 -0.39 1.67 0.00 -1.19 -1.01 119.26 120.05 1nf8 h ALA 57 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1nf8 h ALA 57 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nf8 h ALA 57 CO 0.08 0.18 -0.30 -0.91 0.00 0.00 0.00 179.25 178.30 1nf8 h ASN 58 N 0.41 0.90 -0.23 0.00 2.35 -1.33 -1.66 115.58 116.02 1nf8 h ASN 58 Ca 0.10 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1nf8 h ASN 58 Cb 0.37 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1nf8 h ASN 58 CO 0.01 1.12 -0.11 0.00 -1.65 0.00 0.00 177.43 176.80 1nf8 h ALA 59 N 0.93 1.14 -0.36 -0.83 0.00 -1.11 0.46 119.26 119.47 1nf8 h ALA 59 Ca 0.08 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1nf8 h ALA 59 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nf8 h ALA 59 CO 0.08 0.54 -0.28 0.00 0.00 0.00 0.00 179.25 179.59 1nf8 h ALA 60 N 1.31 0.52 -0.43 0.00 0.00 -1.02 0.24 119.26 119.87 1nf8 h ALA 60 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1nf8 h ALA 60 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1nf8 h ALA 60 CO 0.03 0.54 0.25 0.00 0.00 0.00 0.00 179.25 180.08 1nf8 h ARG 61 N 0.62 0.50 -0.28 0.00 3.08 -1.03 -0.54 114.38 116.74 1nf8 h ARG 61 Ca 0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nf8 h ARG 61 Cb 0.85 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1nf8 h ARG 61 CO 0.07 0.33 0.16 1.25 -1.07 0.00 0.00 179.97 180.71 1nf8 h LEU 62 N 0.51 0.34 -0.64 3.04 5.85 -0.68 -1.79 115.31 121.95 1nf8 h LEU 62 Ca 0.17 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1nf8 h LEU 62 Cb 0.02 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1nf8 h LEU 62 CO -0.08 0.31 0.28 -0.09 -0.34 0.00 0.00 178.44 178.52 1nf8 h ARG 63 N 0.34 0.93 -0.58 1.25 2.43 -0.17 -0.81 114.38 117.78 1nf8 h ARG 63 Ca 0.10 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nf8 h ARG 63 Cb 0.04 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1nf8 h ARG 63 CO -0.02 0.77 0.37 -0.09 -1.51 0.00 0.00 179.97 179.49 1nf8 h ARG 64 N 0.89 0.77 -0.51 0.20 2.43 -0.95 -0.33 114.38 116.88 1nf8 h ARG 64 Ca 0.22 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1nf8 h ARG 64 Cb 0.16 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1nf8 h ARG 64 CO -0.02 0.53 0.29 2.35 -1.51 0.00 0.00 179.97 181.61 1nf8 h TRP 65 N 0.78 0.53 -0.91 2.20 7.01 -1.06 -1.66 115.95 122.84 1nf8 h TRP 65 Ca 0.21 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1nf8 h TRP 65 Cb -0.05 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.79 1nf8 h TRP 65 CO -0.03 0.28 0.60 0.00 -2.79 0.00 0.00 178.44 176.51 1nf8 h VAL 67 N 1.23 1.27 0.00 0.00 2.07 -0.79 0.58 116.25 120.61 1nf8 h VAL 67 Ca 0.34 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1nf8 h VAL 67 Cb -0.13 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nf8 h VAL 67 CO -0.08 0.44 -0.15 -0.33 0.02 0.00 0.00 177.57 177.48 1nf8 h GLU 68 N 0.78 0.00 -0.02 1.57 5.08 -0.37 -2.90 114.58 118.73 1nf8 h GLU 68 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1nf8 h GLU 68 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1nf8 h GLU 68 CO 0.05 0.15 -0.40 1.04 -1.00 0.00 0.00 179.01 178.85 1nf8 n GLN 69 N -4.06 1.22 -0.91 2.33 1.13 -0.13 -4.97 117.38 112.00 1nf8 n GLN 69 Ca -0.02 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 54.07 1nf8 n GLN 69 Cb 0.23 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1nf8 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf8 n GLY 70 N 1.40 0.50 3.72 1.08 0.00 -0.74 -4.69 105.19 106.45 1nf8 n GLY 70 Ca 0.10 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1nf8 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf8 s VAL 71 N -2.00 4.39 0.07 1.61 1.01 0.12 -4.68 120.40 120.92 1nf8 s VAL 71 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1nf8 s VAL 71 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1nf8 s VAL 71 CO 0.00 0.17 1.35 -1.58 0.00 0.00 0.00 175.10 175.05 1nf8 s GLN 72 N 0.76 4.33 -0.04 2.72 2.00 -1.06 -4.43 119.66 123.95 1nf8 s GLN 72 Ca 0.54 1.98 -0.13 0.00 -2.00 0.00 0.00 55.36 55.75 1nf8 s GLN 72 Cb -0.26 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 1nf8 s GLN 72 CO 0.29 -0.44 0.35 0.42 -0.50 0.00 0.00 175.29 175.41 1nf8 s ILE 73 N 1.45 5.15 -0.01 -2.34 -1.09 -1.26 -0.27 121.20 122.83 1nf8 s ILE 73 Ca 0.63 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 1nf8 s ILE 73 Cb -0.34 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1nf8 s ILE 73 CO 0.29 0.57 0.00 0.00 -1.23 0.00 0.00 174.94 174.57 1nf8 s ALA 74 N -0.91 0.13 -0.07 9.38 0.00 0.83 -0.76 121.76 130.35 1nf8 s ALA 74 Ca 0.22 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1nf8 s ALA 74 Cb -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1nf8 s ALA 74 CO 0.11 -0.03 -0.09 0.71 0.00 0.00 0.00 175.76 176.45 1nf8 s TYR 75 N 0.49 2.86 -0.02 0.00 1.51 0.44 -0.27 117.35 122.36 1nf8 s TYR 75 Ca -0.04 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1nf8 s TYR 75 Cb -0.07 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1nf8 s TYR 75 CO -0.01 0.24 -0.11 0.95 -1.11 0.00 0.00 175.55 175.50 1nf8 s THR 76 N -0.65 3.34 -0.19 -0.71 -4.23 -0.64 -0.95 115.64 111.60 1nf8 s THR 76 Ca 0.10 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 1nf8 s THR 76 Cb -0.11 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1nf8 s THR 76 CO 0.01 0.48 0.49 0.00 -0.54 0.00 0.00 174.62 175.07 1nf8 s ALA 77 N -0.87 -1.23 0.36 3.99 0.00 -0.53 -2.53 121.76 120.94 1nf8 s ALA 77 Ca 0.14 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.31 1nf8 s ALA 77 Cb -0.11 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 1nf8 s ALA 77 CO 0.04 -0.25 1.21 -0.65 0.00 0.00 0.00 175.76 176.11 1nf8 s GLN 78 N 0.53 4.25 0.31 0.00 -0.21 -1.26 -0.67 119.66 122.62 1nf8 s GLN 78 Ca -0.02 1.97 0.13 0.00 0.02 0.00 0.00 55.36 57.45 1nf8 s GLN 78 Cb -0.04 -2.90 0.49 0.00 1.00 0.00 0.00 33.01 31.56 1nf8 s GLN 78 CO -0.03 -0.19 1.67 -1.00 -2.12 0.00 0.00 175.29 173.63 1nf8 h PRO 79 N 3.09 0.00 0.00 2.91 0.13 -1.97 -3.47 132.00 132.68 1nf8 h PRO 79 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nf8 h PRO 79 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nf8 h PRO 79 CO 0.64 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 1nf8 n GLY 80 N 0.14 -1.19 4.01 1.56 0.00 -1.26 -4.33 105.19 104.12 1nf8 n GLY 80 Ca -0.01 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1nf8 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nf8 n SER 81 N -1.30 -0.83 -4.77 1.61 7.64 0.17 -4.28 113.62 111.86 1nf8 n SER 81 Ca 0.00 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.46 1nf8 n SER 81 Cb 0.00 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1nf8 n SER 81 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1nf8 s MET 82 N -6.65 3.99 0.92 1.43 1.00 -1.26 -4.93 119.30 113.80 1nf8 s MET 82 Ca 0.13 2.39 -0.12 0.00 0.00 0.00 0.00 55.69 58.10 1nf8 s MET 82 Cb -0.07 -2.84 0.14 0.00 0.00 0.00 0.00 34.83 32.06 1nf8 s MET 82 CO 0.90 -0.56 1.09 0.95 0.00 0.00 0.00 175.02 177.40 1nf8 s THR 83 N -1.18 2.56 0.24 2.05 -4.23 -1.26 -4.68 115.64 109.13 1nf8 s THR 83 Ca 0.56 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1nf8 s THR 83 Cb -0.43 -2.59 0.20 0.00 1.34 0.00 0.00 72.50 71.01 1nf8 s THR 83 CO 0.57 -0.24 1.79 -0.08 -0.54 0.00 0.00 174.62 176.12 1nf8 h GLU 84 N -1.67 0.68 -0.39 3.99 4.81 -1.98 0.36 114.58 120.38 1nf8 h GLU 84 Ca -0.50 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 1nf8 h GLU 84 Cb 1.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1nf8 h GLU 84 CO 0.53 0.45 0.08 1.49 -0.73 0.00 0.00 179.01 180.83 1nf8 h GLU 85 N 0.70 0.63 -0.76 1.92 4.81 -1.96 -0.67 114.58 119.25 1nf8 h GLU 85 Ca 0.38 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1nf8 h GLU 85 Cb 0.38 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1nf8 h GLU 85 CO -0.26 0.68 0.28 1.96 -0.73 0.00 0.00 179.01 180.93 1nf8 h GLN 86 N 0.48 1.16 -0.47 1.92 4.20 -1.71 -3.08 115.11 117.60 1nf8 h GLN 86 Ca 0.12 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1nf8 h GLN 86 Cb 0.34 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1nf8 h GLN 86 CO 0.01 0.96 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.85 1nf8 h ARG 87 N 1.11 0.92 0.00 1.46 9.65 -0.08 -3.47 114.38 123.97 1nf8 h ARG 87 Ca 0.25 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1nf8 h ARG 87 Cb 0.25 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1nf8 h ARG 87 CO -0.02 1.02 0.00 0.41 2.80 0.00 0.00 179.97 184.19 1nf8 n GLY 88 N -0.22 2.74 0.00 2.80 0.00 -0.28 -1.50 105.19 108.73 1nf8 n GLY 88 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1nf8 n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nf8 n LEU 89 N 0.00 0.00 0.25 0.99 4.77 -1.26 -2.45 117.00 119.30 1nf8 n LEU 89 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1nf8 n LEU 89 Cb 0.00 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.73 1nf8 n LEU 89 CO 0.00 0.00 0.95 -0.07 -1.33 0.00 0.00 177.39 176.94 1nf8 h LEU 90 N 0.00 0.00 -1.12 2.23 3.38 -1.63 -2.91 115.31 115.26 1nf8 h LEU 90 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1nf8 h LEU 90 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1nf8 h LEU 90 CO 0.00 0.14 0.61 0.50 0.09 0.00 0.00 178.44 179.78 1nf8 h LYS 91 N 0.00 0.86 0.00 1.13 1.63 -1.61 0.27 116.57 118.85 1nf8 h LYS 91 Ca -0.00 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1nf8 h LYS 91 Cb 0.31 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1nf8 h LYS 91 CO 0.02 0.57 -0.33 -0.44 -3.45 0.00 0.00 179.45 175.82 1nf8 h ASP 92 N 0.89 0.00 0.00 4.20 3.32 -1.74 -2.02 116.42 121.06 1nf8 h ASP 92 Ca 0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.42 1nf8 h ASP 92 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1nf8 h ASP 92 CO -0.24 0.33 -1.61 0.49 -1.72 0.00 0.00 179.24 176.49 1nf8 n PHE 93 N -3.49 0.00 -0.59 4.55 3.01 -0.99 -4.83 117.46 115.12 1nf8 n PHE 93 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1nf8 n PHE 93 Cb 0.49 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1nf8 n PHE 93 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1nf8 n TRP 94 N -2.14 0.00 -4.68 1.38 7.02 0.93 -4.18 117.44 115.77 1nf8 n TRP 94 Ca -0.10 -0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 1nf8 n TRP 94 Cb 0.57 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 1nf8 n TRP 94 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nf8 n GLY 95 N -0.20 -0.16 0.21 6.99 0.00 -0.76 -3.76 105.19 107.51 1nf8 n GLY 95 Ca 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.15 1nf8 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nf8 h PRO 96 N 0.00 0.00 0.00 1.61 0.13 -1.85 -3.34 132.00 128.55 1nf8 h PRO 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nf8 h PRO 96 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nf8 h PRO 96 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1nf8 n GLY 97 N 0.13 -2.21 3.68 1.56 0.00 -1.25 -4.50 105.19 102.61 1nf8 n GLY 97 Ca 0.02 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1nf8 n GLY 97 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nf8 s MET 98 N -0.37 1.08 0.43 1.61 0.23 -1.26 -4.77 119.30 116.26 1nf8 s MET 98 Ca 0.00 1.18 -0.06 0.00 -1.03 0.00 0.00 55.69 55.78 1nf8 s MET 98 Cb 0.00 -1.76 -0.05 0.00 -1.53 0.00 0.00 34.83 31.49 1nf8 s MET 98 CO 0.00 -2.47 0.74 1.03 -2.03 0.00 0.00 175.02 172.29 1nf8 s ARG 99 N -4.75 3.61 -1.43 3.16 1.81 -1.26 -0.66 118.95 119.43 1nf8 s ARG 99 Ca 0.65 0.21 -0.08 0.00 -1.72 0.00 0.00 55.73 54.79 1nf8 s ARG 99 Cb -0.21 -2.43 -0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1nf8 s ARG 99 CO 0.58 -0.09 2.74 0.00 -0.68 0.00 0.00 175.30 177.85 1nf8 n ALA 100 N -1.83 7.21 -2.62 2.13 0.00 -1.26 -4.18 120.51 119.96 1nf8 n ALA 100 Ca 0.00 -3.71 -0.21 0.00 0.00 0.00 0.00 53.44 49.53 1nf8 n ALA 100 Cb 0.55 -3.07 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 1nf8 n ALA 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nf8 s SER 101 N 1.37 2.04 0.31 0.00 1.04 -1.26 -4.97 113.70 112.24 1nf8 s SER 101 Ca 0.63 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 56.50 1nf8 s SER 101 Cb 0.19 -0.10 0.68 0.00 0.10 0.00 0.00 66.02 66.88 1nf8 s SER 101 CO -0.08 0.01 1.84 -0.65 0.98 0.00 0.00 173.24 175.34 1nf8 h PRO 102 N 4.39 0.83 -0.31 4.02 0.11 -1.96 0.55 132.00 139.63 1nf8 h PRO 102 Ca -0.42 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1nf8 h PRO 102 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1nf8 h PRO 102 CO 0.41 0.55 0.23 0.00 -0.21 0.00 0.00 178.00 178.98 1nf8 h ALA 103 N 1.58 2.27 0.00 -0.75 0.00 -1.96 -2.72 119.26 117.68 1nf8 h ALA 103 Ca 0.49 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.96 1nf8 h ALA 103 Cb 0.63 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1nf8 h ALA 103 CO -0.26 -0.38 -2.45 -0.25 0.00 0.00 0.00 179.25 175.90 1nf8 n ASP 104 N -4.40 1.97 0.03 0.00 8.00 -0.35 -4.35 116.55 117.44 1nf8 n ASP 104 Ca 0.04 0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.85 1nf8 n ASP 104 Cb 0.39 -0.70 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1nf8 n ASP 104 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1nf8 n ARG 105 N -3.93 0.27 -2.04 -1.24 1.85 0.04 -1.19 116.66 110.42 1nf8 n ARG 105 Ca -0.50 0.02 -0.40 0.00 -1.00 0.00 0.00 57.85 55.96 1nf8 n ARG 105 Cb 0.91 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 30.71 1nf8 n ARG 105 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1nf8 s GLU 106 N -3.18 4.05 0.30 2.89 2.02 -1.03 -4.70 118.70 119.05 1nf8 s GLU 106 Ca 0.05 2.21 -0.29 0.00 0.02 0.00 0.00 54.97 56.96 1nf8 s GLU 106 Cb 0.14 -2.84 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 1nf8 s GLU 106 CO 0.78 -0.44 1.38 0.08 0.02 0.00 0.00 175.26 177.07 1nf8 s VAL 107 N -1.22 2.64 0.42 2.63 1.01 -1.26 -0.81 120.40 123.80 1nf8 s VAL 107 Ca 0.55 0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.86 1nf8 s VAL 107 Cb -0.39 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1nf8 s VAL 107 CO 0.51 0.12 1.35 0.68 0.00 0.00 0.00 175.10 177.77 1nf8 s VAL 108 N -0.66 2.41 0.53 2.92 -7.23 -0.81 -4.83 120.40 112.74 1nf8 s VAL 108 Ca 0.54 0.37 0.23 0.00 -1.81 0.00 0.00 61.98 61.31 1nf8 s VAL 108 Cb -0.41 -3.22 0.30 0.00 0.56 0.00 0.00 36.38 33.61 1nf8 s VAL 108 CO 0.50 0.06 2.17 1.05 -0.31 0.00 0.00 175.10 178.57 1nf8 h GLU 109 N 2.60 0.00 0.00 4.82 9.09 -1.93 0.00 114.58 129.16 1nf8 h GLU 109 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1nf8 h GLU 109 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1nf8 h GLU 109 CO 0.62 0.03 0.00 0.39 0.05 0.00 0.00 179.01 180.11 1nf8 n GLU 110 N -4.13 0.15 -0.51 1.06 4.71 -1.26 -1.94 120.64 118.72 1nf8 n GLU 110 Ca -0.03 0.45 0.06 0.00 -0.01 0.00 0.00 57.16 57.63 1nf8 n GLU 110 Cb 0.12 -1.83 0.20 0.00 -1.01 0.00 0.00 31.44 28.92 1nf8 n GLU 110 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nf8 n LEU 111 N -2.11 2.82 -4.68 -4.62 4.77 -0.02 -4.82 117.00 108.33 1nf8 n LEU 111 Ca 0.01 -3.70 -0.55 0.00 -0.03 0.00 0.00 56.01 51.74 1nf8 n LEU 111 Cb 0.17 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1nf8 n LEU 111 CO 0.16 1.23 1.24 0.00 -1.33 0.00 0.00 177.39 178.69 1nf8 n ALA 112 N -1.17 -0.23 -1.72 -1.18 0.00 -0.82 -4.88 120.51 110.51 1nf8 n ALA 112 Ca 0.20 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 1nf8 n ALA 112 Cb 0.72 -2.22 0.07 0.00 0.00 0.00 0.00 19.45 18.02 1nf8 n ALA 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nf8 n PRO 113 N 4.81 1.09 -3.63 0.00 -0.02 -1.26 -5.05 135.00 130.95 1nf8 n PRO 113 Ca 0.24 0.43 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 1nf8 n PRO 113 Cb 0.16 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 1nf8 n PRO 113 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nf8 s GLY 114 N -1.38 1.60 0.63 -1.23 0.00 -1.26 -5.01 107.32 100.67 1nf8 s GLY 114 Ca 0.82 -1.49 0.33 0.00 0.00 0.00 0.00 44.72 44.39 1nf8 s GLY 114 CO 0.41 -1.42 2.13 -0.56 0.00 0.00 0.00 173.10 173.65 1nf8 h PRO 115 N 1.03 0.00 -0.02 2.90 0.13 -2.04 -1.47 132.00 132.54 1nf8 h PRO 115 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nf8 h PRO 115 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nf8 h PRO 115 CO 0.55 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 177.95 1nf8 n ASP 116 N -3.38 1.80 -4.84 1.44 8.00 -1.26 -4.92 116.55 113.39 1nf8 n ASP 116 Ca -0.00 -1.47 -0.34 0.00 0.71 0.00 0.00 54.79 53.68 1nf8 n ASP 116 Cb 0.27 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1nf8 n ASP 116 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1nf8 s ASP 117 N -2.18 6.89 0.15 -2.24 1.01 -0.56 -4.81 116.67 114.93 1nf8 s ASP 117 Ca 0.30 1.28 -0.30 0.00 0.71 0.00 0.00 52.55 54.54 1nf8 s ASP 117 Cb 0.20 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.69 1nf8 s ASP 117 CO 0.40 -0.05 1.12 0.26 0.21 0.00 0.00 175.17 177.12 1nf8 s TRP 118 N -1.69 3.56 -0.32 4.23 0.51 0.06 -4.93 118.94 120.35 1nf8 s TRP 118 Ca 0.46 1.54 -0.04 0.00 -2.12 0.00 0.00 56.10 55.94 1nf8 s TRP 118 Cb -0.14 -3.31 0.05 0.00 -0.81 0.00 0.00 33.47 29.26 1nf8 s TRP 118 CO 0.19 -0.74 0.06 -0.51 -0.51 0.00 0.00 176.95 175.44 1nf8 s LEU 119 N -0.06 4.14 0.04 2.99 1.43 -1.26 -0.42 118.68 125.54 1nf8 s LEU 119 Ca 0.51 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1nf8 s LEU 119 Cb -0.29 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1nf8 s LEU 119 CO 0.34 -0.30 -0.12 -0.76 0.23 0.00 0.00 176.35 175.74 1nf8 s LEU 120 N 1.32 2.93 -0.02 1.79 1.43 -0.13 -5.00 118.68 121.01 1nf8 s LEU 120 Ca -0.03 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1nf8 s LEU 120 Cb -0.20 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1nf8 s LEU 120 CO 0.01 0.25 0.59 -0.89 0.23 0.00 0.00 176.35 176.53 1nf8 s THR 121 N -1.03 4.94 -0.24 5.49 2.01 -1.26 -1.45 115.64 124.10 1nf8 s THR 121 Ca 0.17 1.23 -0.10 0.00 0.31 0.00 0.00 61.69 63.30 1nf8 s THR 121 Cb -0.11 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1nf8 s THR 121 CO 0.08 0.40 0.16 -0.75 -0.69 0.00 0.00 174.62 173.82 1nf8 s LYS 122 N -0.09 4.05 -0.09 4.92 2.20 0.16 -4.62 119.74 126.28 1nf8 s LYS 122 Ca 0.31 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1nf8 s LYS 122 Cb -0.18 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1nf8 s LYS 122 CO 0.17 0.04 -0.08 0.91 -0.36 0.00 0.00 175.35 176.02 1nf8 n TRP 123 N 4.34 0.00 -4.17 4.03 7.02 -1.26 -3.97 117.44 123.43 1nf8 n TRP 123 Ca -0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.24 1nf8 n TRP 123 Cb 0.52 -0.33 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 1nf8 n TRP 123 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1nf8 n ARG 124 N -2.87 0.61 -0.18 -0.99 5.12 -1.26 -5.05 116.66 112.04 1nf8 n ARG 124 Ca -0.16 -1.31 -0.02 0.00 -1.93 0.00 0.00 57.85 54.43 1nf8 n ARG 124 Cb 0.66 0.82 0.08 0.00 -1.16 0.00 0.00 32.46 32.85 1nf8 n ARG 124 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1nf8 h TYR 125 N 1.30 0.42 -3.30 -1.55 0.05 -1.95 -3.39 116.97 108.55 1nf8 h TYR 125 Ca -0.11 0.03 -0.56 0.00 0.05 0.00 0.00 58.73 58.14 1nf8 h TYR 125 Cb 0.46 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 1nf8 h TYR 125 CO 0.00 0.16 0.48 0.45 -1.05 0.00 0.00 178.16 178.20 1nf8 s SER 126 N -5.44 7.23 0.66 3.88 0.15 -1.26 -4.24 113.70 114.68 1nf8 s SER 126 Ca -0.13 1.50 0.36 0.00 0.70 0.00 0.00 55.95 58.38 1nf8 s SER 126 Cb 0.15 -2.54 1.97 0.00 -1.71 0.00 0.00 66.02 63.89 1nf8 s SER 126 CO 0.74 -0.39 2.12 0.00 1.20 0.00 0.00 173.24 176.91 1nf8 h ALA 127 N 7.04 1.22 0.00 5.45 0.00 -1.82 -1.46 119.26 129.69 1nf8 h ALA 127 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nf8 h ALA 127 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nf8 h ALA 127 CO 0.83 -0.20 -0.39 0.74 0.00 0.00 0.00 179.25 180.23 1nf8 h PHE 128 N 0.00 0.00 -2.76 0.00 -1.00 -1.92 -3.42 116.94 107.84 1nf8 h PHE 128 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1nf8 h PHE 128 Cb 0.39 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 1nf8 h PHE 128 CO 0.00 0.00 1.11 0.12 -1.61 0.00 0.00 178.31 177.93 1nf8 s PHE 129 N -3.23 2.15 -1.50 -0.55 2.19 -0.55 -2.28 117.98 114.21 1nf8 s PHE 129 Ca 0.05 0.53 -0.00 0.00 0.33 0.00 0.00 56.93 57.84 1nf8 s PHE 129 Cb 0.09 -3.94 0.00 0.00 -1.31 0.00 0.00 43.02 37.86 1nf8 s PHE 129 CO 0.70 -2.95 0.04 0.72 1.83 0.00 0.00 175.22 175.55 1nf8 n HIS 130 N 8.15 -1.22 -4.65 10.12 8.25 -1.26 -4.43 115.22 130.18 1nf8 n HIS 130 Ca 0.18 0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.38 1nf8 n HIS 130 Cb 0.45 -3.53 -0.09 0.00 1.12 0.00 0.00 29.99 27.94 1nf8 n HIS 130 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nf8 s SER 131 N -2.08 3.68 -0.44 0.41 1.04 -0.96 -4.92 113.70 110.42 1nf8 s SER 131 Ca 0.02 -1.53 0.04 0.00 0.48 0.00 0.00 55.95 54.96 1nf8 s SER 131 Cb -0.01 0.14 0.55 0.00 0.10 0.00 0.00 66.02 66.79 1nf8 s SER 131 CO 0.03 -0.70 1.74 -0.90 0.98 0.00 0.00 173.24 174.39 1nf8 n ASP 132 N -1.10 4.45 0.24 7.02 5.75 -1.26 -4.60 116.55 127.05 1nf8 n ASP 132 Ca -0.11 -3.73 -0.15 0.00 -0.01 0.00 0.00 54.79 50.79 1nf8 n ASP 132 Cb 0.67 -0.76 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 1nf8 n ASP 132 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1nf8 h LEU 133 N 1.37 -0.50 -0.31 -2.12 5.85 -1.86 -0.65 115.31 117.10 1nf8 h LEU 133 Ca 0.48 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1nf8 h LEU 133 Cb 1.87 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 1nf8 h LEU 133 CO 0.98 -0.26 0.20 0.25 -0.34 0.00 0.00 178.44 179.27 1nf8 h LEU 134 N -0.72 0.35 -0.80 2.25 5.85 -1.88 -0.04 115.31 120.32 1nf8 h LEU 134 Ca -0.06 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1nf8 h LEU 134 Cb 0.52 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1nf8 h LEU 134 CO 0.10 0.26 0.53 1.56 -0.34 0.00 0.00 178.44 180.55 1nf8 h GLN 135 N 0.41 1.03 -0.28 1.25 7.50 -1.85 -0.21 115.11 122.96 1nf8 h GLN 135 Ca 0.11 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 1nf8 h GLN 135 Cb -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.25 1nf8 h GLN 135 CO -0.02 0.68 -0.02 0.00 -1.50 0.00 0.00 178.83 177.97 1nf8 h ARG 136 N 1.06 0.51 -0.41 1.46 3.08 -0.86 -1.00 114.38 118.23 1nf8 h ARG 136 Ca 0.30 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1nf8 h ARG 136 Cb -0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1nf8 h ARG 136 CO -0.08 0.68 0.25 0.52 -1.07 0.00 0.00 179.97 180.27 1nf8 h MET 137 N 0.29 0.48 -0.27 0.04 2.86 -0.56 -0.52 114.93 117.26 1nf8 h MET 137 Ca 0.08 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1nf8 h MET 137 Cb 0.46 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1nf8 h MET 137 CO 0.02 0.32 0.09 0.00 1.06 0.00 0.00 176.91 178.40 1nf8 h ARG 138 N 0.50 0.21 0.00 1.72 2.47 -0.97 -0.91 114.38 117.40 1nf8 h ARG 138 Ca 0.16 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1nf8 h ARG 138 Cb -0.01 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1nf8 h ARG 138 CO -0.07 0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.60 1nf8 h ALA 139 N 1.17 1.00 -0.02 0.04 0.00 -0.87 -2.13 119.26 118.44 1nf8 h ALA 139 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nf8 h ALA 139 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nf8 h ALA 139 CO -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.04 1nf8 n ALA 140 N -2.04 2.72 -2.54 0.00 0.00 -0.23 -4.96 120.51 113.46 1nf8 n ALA 140 Ca -0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 53.44 52.69 1nf8 n ALA 140 Cb 0.22 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.70 1nf8 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf8 n GLY 141 N 1.30 -0.34 3.38 0.00 0.00 -0.80 -4.99 105.19 103.73 1nf8 n GLY 141 Ca 0.15 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1nf8 n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nf8 s ARG 142 N -5.11 3.45 -0.09 1.61 0.52 -0.40 -4.78 118.95 114.15 1nf8 s ARG 142 Ca 0.10 -0.63 0.14 0.00 -0.52 0.00 0.00 55.73 54.81 1nf8 s ARG 142 Cb -0.04 -2.81 0.27 0.00 0.52 0.00 0.00 34.95 32.89 1nf8 s ARG 142 CO 0.12 0.10 1.13 -0.40 0.02 0.00 0.00 175.30 176.26 1nf8 n ASP 143 N 3.91 1.31 -4.12 0.23 5.75 -0.00 -4.38 116.55 119.25 1nf8 n ASP 143 Ca -0.18 -2.77 -0.18 0.00 -0.01 0.00 0.00 54.79 51.64 1nf8 n ASP 143 Cb 0.52 -0.37 -0.13 0.00 -1.03 0.00 0.00 41.12 40.11 1nf8 n ASP 143 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nf8 s GLN 144 N -1.63 0.82 -0.07 0.11 -0.21 -0.77 -1.75 119.66 116.17 1nf8 s GLN 144 Ca 0.25 -0.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.92 1nf8 s GLN 144 Cb 0.25 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.49 1nf8 s GLN 144 CO -0.04 0.19 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.12 1nf8 s LEU 145 N -1.15 1.02 -0.25 2.90 2.96 -0.44 -1.55 118.68 122.18 1nf8 s LEU 145 Ca -0.00 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1nf8 s LEU 145 Cb -0.08 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 1nf8 s LEU 145 CO 0.01 -0.12 0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 1nf8 s VAL 146 N 1.46 5.26 -0.09 1.68 1.01 0.45 -0.41 120.40 129.76 1nf8 s VAL 146 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1nf8 s VAL 146 Cb -0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1nf8 s VAL 146 CO -0.03 0.33 -0.15 -0.76 0.00 0.00 0.00 175.10 174.49 1nf8 s LEU 147 N 1.22 2.67 0.19 3.92 1.02 -0.35 -0.11 118.68 127.25 1nf8 s LEU 147 Ca 0.07 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.94 1nf8 s LEU 147 Cb -0.14 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1nf8 s LEU 147 CO 0.06 0.26 0.07 0.00 0.02 0.00 0.00 176.35 176.75 1nf8 n GLY 149 N -0.26 0.41 3.17 0.00 0.00 0.11 -1.50 105.19 107.12 1nf8 n GLY 149 Ca -0.03 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 1nf8 n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nf8 s VAL 150 N 0.00 0.87 -0.07 1.61 -7.23 -0.82 -2.32 120.40 112.44 1nf8 s VAL 150 Ca 0.00 -1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 1nf8 s VAL 150 Cb 0.00 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1nf8 s VAL 150 CO 0.00 -0.61 0.34 -0.31 -0.31 0.00 0.00 175.10 174.21 1nf8 s TYR 151 N -2.63 3.63 0.18 2.82 2.02 -1.26 -4.49 117.35 117.62 1nf8 s TYR 151 Ca 0.06 0.82 -0.18 0.00 -0.37 0.00 0.00 57.07 57.40 1nf8 s TYR 151 Cb -0.02 -2.27 0.14 0.00 -0.40 0.00 0.00 41.96 39.41 1nf8 s TYR 151 CO -0.01 0.52 1.62 0.00 -1.57 0.00 0.00 175.55 176.12 1nf8 h ALA 152 N 5.40 0.16 -0.00 3.71 0.00 -1.23 -1.51 119.26 125.79 1nf8 h ALA 152 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nf8 h ALA 152 Cb 1.20 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1nf8 h ALA 152 CO 0.65 -0.55 -0.17 -2.39 0.00 0.00 0.00 179.25 176.80 1nf8 n HIS 153 N -5.40 0.00 0.00 0.00 1.44 -1.26 -1.33 115.22 108.67 1nf8 n HIS 153 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1nf8 n HIS 153 Cb 0.31 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.06 1nf8 n HIS 153 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1nf8 n VAL 154 N -1.39 0.00 0.00 0.61 0.31 -0.60 -4.62 118.33 112.64 1nf8 n VAL 154 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 1nf8 n VAL 154 Cb 0.32 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.62 1nf8 n VAL 154 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1nf8 h GLY 155 N 0.00 0.57 0.86 2.92 0.00 -1.72 -0.47 103.07 105.23 1nf8 h GLY 155 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1nf8 h GLY 155 CO 0.00 0.25 0.03 -2.08 0.00 0.00 0.00 176.54 174.74 1nf8 h VAL 156 N 0.53 1.13 -0.44 4.60 2.07 -1.63 0.88 116.25 123.39 1nf8 h VAL 156 Ca 0.13 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1nf8 h VAL 156 Cb 0.12 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1nf8 h VAL 156 CO -0.01 0.11 -0.00 0.25 0.02 0.00 0.00 177.57 177.94 1nf8 h LEU 157 N -0.04 0.76 -0.67 2.57 5.85 -0.94 -1.63 115.31 121.20 1nf8 h LEU 157 Ca 0.02 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.30 1nf8 h LEU 157 Cb 0.15 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1nf8 h LEU 157 CO -0.00 0.88 -0.43 0.40 -0.34 0.00 0.00 178.44 178.95 1nf8 h ILE 158 N 0.62 1.30 -0.86 4.05 1.08 -1.01 -0.29 117.51 122.39 1nf8 h ILE 158 Ca 0.12 -1.61 -0.02 0.00 -0.39 0.00 0.00 64.86 62.97 1nf8 h ILE 158 Cb 0.49 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.80 1nf8 h ILE 158 CO 0.02 0.50 0.45 0.28 -0.69 0.00 0.00 178.15 178.71 1nf8 h SER 159 N 0.44 1.10 -0.36 1.72 0.02 -0.71 -1.73 113.55 114.04 1nf8 h SER 159 Ca 0.03 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1nf8 h SER 159 Cb 0.93 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1nf8 h SER 159 CO 0.08 0.90 0.20 0.74 -1.14 0.00 0.00 176.83 177.61 1nf8 h THR 160 N 1.22 1.02 -0.87 -2.27 2.02 -0.83 -0.50 112.91 112.70 1nf8 h THR 160 Ca 0.30 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1nf8 h THR 160 Cb 0.07 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1nf8 h THR 160 CO -0.04 0.07 0.57 0.58 0.37 0.00 0.00 175.52 177.07 1nf8 h VAL 161 N 0.41 1.18 -0.31 3.16 2.07 -0.76 -1.23 116.25 120.77 1nf8 h VAL 161 Ca 0.14 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1nf8 h VAL 161 Cb 0.02 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1nf8 h VAL 161 CO -0.08 0.21 -0.21 -0.78 0.02 0.00 0.00 177.57 176.73 1nf8 h ASP 162 N 1.13 0.72 -0.11 0.57 1.82 -0.99 0.42 116.42 119.98 1nf8 h ASP 162 Ca 0.33 -0.43 0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1nf8 h ASP 162 Cb -0.06 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.73 1nf8 h ASP 162 CO -0.10 1.00 0.01 0.00 -1.61 0.00 0.00 179.24 178.54 1nf8 h ALA 163 N 0.75 0.10 -0.59 -0.78 0.00 -0.86 -1.88 119.26 115.99 1nf8 h ALA 163 Ca 0.06 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1nf8 h ALA 163 Cb 0.75 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1nf8 h ALA 163 CO 0.06 -0.45 0.22 -0.92 0.00 0.00 0.00 179.25 178.15 1nf8 h TYR 164 N 0.05 0.37 -0.04 0.00 3.20 -1.12 -0.74 116.97 118.68 1nf8 h TYR 164 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1nf8 h TYR 164 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1nf8 h TYR 164 CO -0.13 0.09 -0.12 0.77 -1.64 0.00 0.00 178.16 177.14 1nf8 h SER 165 N 0.39 0.06 -0.22 -2.11 0.02 -0.40 -0.65 113.55 110.64 1nf8 h SER 165 Ca 0.30 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1nf8 h SER 165 Cb 0.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1nf8 h SER 165 CO -0.30 0.19 0.00 0.59 -1.14 0.00 0.00 176.83 176.17 1nf8 n ASN 166 N -4.36 2.26 -2.56 3.07 3.02 -0.41 -4.88 115.26 111.41 1nf8 n ASN 166 Ca -0.02 -2.23 -0.21 0.00 -0.03 0.00 0.00 54.58 52.09 1nf8 n ASN 166 Cb 0.21 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1nf8 n ASN 166 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nf8 n ASP 167 N 0.23 -6.02 -4.59 6.41 8.00 -0.25 -4.98 116.55 115.34 1nf8 n ASP 167 Ca 0.09 -0.09 -0.38 0.00 0.71 0.00 0.00 54.79 55.13 1nf8 n ASP 167 Cb 0.47 -4.97 -0.11 0.00 -0.02 0.00 0.00 41.12 36.49 1nf8 n ASP 167 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nf8 s ILE 168 N -3.08 5.26 -0.30 0.53 1.01 -0.49 -4.98 121.20 119.14 1nf8 s ILE 168 Ca 0.08 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 1nf8 s ILE 168 Cb -0.03 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1nf8 s ILE 168 CO 0.10 0.27 1.45 -1.10 0.00 0.00 0.00 174.94 175.66 1nf8 s GLN 169 N 1.64 3.77 0.17 2.79 -0.21 -0.71 -3.23 119.66 123.88 1nf8 s GLN 169 Ca 0.07 1.32 -0.08 0.00 0.02 0.00 0.00 55.36 56.69 1nf8 s GLN 169 Cb -0.16 -3.98 -0.06 0.00 1.00 0.00 0.00 33.01 29.81 1nf8 s GLN 169 CO 0.10 -1.32 0.46 -2.14 -2.12 0.00 0.00 175.29 170.27 1nf8 s PRO 170 N 4.58 3.73 -0.27 2.91 0.02 -1.26 -1.32 135.00 143.39 1nf8 s PRO 170 Ca 0.64 0.13 0.02 0.00 0.02 0.00 0.00 61.00 61.80 1nf8 s PRO 170 Cb -0.19 -2.79 0.07 0.00 0.02 0.00 0.00 34.50 31.62 1nf8 s PRO 170 CO 0.28 0.42 -0.03 -0.06 -0.33 0.00 0.00 177.00 177.27 1nf8 s PHE 171 N -1.68 2.88 -0.33 6.54 0.40 0.45 -0.69 117.98 125.54 1nf8 s PHE 171 Ca 0.43 -2.20 -0.18 0.00 -0.60 0.00 0.00 56.93 54.38 1nf8 s PHE 171 Cb -0.12 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 1nf8 s PHE 171 CO 0.22 -0.85 0.52 -1.17 0.70 0.00 0.00 175.22 174.64 1nf8 s LEU 172 N 1.22 4.29 -0.66 -0.37 2.96 0.22 -1.20 118.68 125.14 1nf8 s LEU 172 Ca -0.01 0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 1nf8 s LEU 172 Cb -0.19 -2.61 0.06 0.00 0.50 0.00 0.00 46.19 43.95 1nf8 s LEU 172 CO -0.08 -0.45 1.02 -0.69 -1.32 0.00 0.00 176.35 174.82 1nf8 s VAL 173 N 2.40 4.23 0.50 1.68 1.01 -0.92 -1.54 120.40 127.76 1nf8 s VAL 173 Ca 0.19 -0.12 0.17 0.00 0.00 0.00 0.00 61.98 62.22 1nf8 s VAL 173 Cb -0.15 -4.70 0.25 0.00 0.00 0.00 0.00 36.38 31.77 1nf8 s VAL 173 CO 0.13 -1.47 2.11 0.00 0.00 0.00 0.00 175.10 175.86 1nf8 h ALA 174 N 9.61 1.87 -0.26 5.51 0.00 -1.08 -0.99 119.26 133.92 1nf8 h ALA 174 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nf8 h ALA 174 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nf8 h ALA 174 CO 1.18 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 180.10 1nf8 n ASP 175 N -4.42 3.13 -0.69 0.00 5.75 -1.26 -4.21 116.55 114.86 1nf8 n ASP 175 Ca -0.03 -2.42 0.04 0.00 -0.01 0.00 0.00 54.79 52.37 1nf8 n ASP 175 Cb 0.14 -0.33 0.20 0.00 -1.03 0.00 0.00 41.12 40.10 1nf8 n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nf8 n ALA 176 N -0.06 3.58 -2.33 2.12 0.00 -0.38 -4.64 120.51 118.79 1nf8 n ALA 176 Ca 0.14 -3.09 -0.17 0.00 0.00 0.00 0.00 53.44 50.32 1nf8 n ALA 176 Cb 0.58 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 1nf8 n ALA 176 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nf8 s ILE 177 N -3.16 1.31 0.25 0.00 -4.36 -1.17 -0.71 121.20 113.36 1nf8 s ILE 177 Ca 0.39 -2.09 -0.08 0.00 -0.26 0.00 0.00 60.65 58.61 1nf8 s ILE 177 Cb 0.36 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1nf8 s ILE 177 CO -0.03 -0.48 0.40 0.00 0.24 0.00 0.00 174.94 175.07 1nf8 s ALA 178 N -3.24 0.28 0.34 2.27 0.00 -0.98 -4.90 121.76 115.53 1nf8 s ALA 178 Ca 0.24 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1nf8 s ALA 178 Cb 0.03 1.16 0.04 0.00 0.00 0.00 0.00 23.12 24.35 1nf8 s ALA 178 CO 0.07 -0.78 0.75 0.34 0.00 0.00 0.00 175.76 176.13 1nf8 s ASP 179 N -3.09 -0.08 0.56 0.00 -1.08 -1.26 -0.85 116.67 110.86 1nf8 s ASP 179 Ca 0.28 -0.94 0.33 0.00 -0.52 0.00 0.00 52.55 51.70 1nf8 s ASP 179 Cb 0.01 0.79 1.61 0.00 -1.46 0.00 0.00 42.92 43.87 1nf8 s ASP 179 CO 0.12 -1.53 2.09 -0.26 0.52 0.00 0.00 175.17 176.11 1nf8 h PHE 180 N 2.01 0.00 -1.93 -5.34 0.04 -1.97 -3.46 116.94 106.28 1nf8 h PHE 180 Ca -0.27 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.70 1nf8 h PHE 180 Cb 1.25 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.26 1nf8 h PHE 180 CO 0.98 0.06 0.64 -1.54 -0.60 0.00 0.00 178.31 177.85 1nf8 s SER 181 N -5.79 -0.21 0.23 2.17 1.04 -1.26 -4.50 113.70 105.38 1nf8 s SER 181 Ca -0.02 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 1nf8 s SER 181 Cb 0.12 0.30 0.28 0.00 0.10 0.00 0.00 66.02 66.81 1nf8 s SER 181 CO 0.54 -0.52 1.86 -0.08 0.98 0.00 0.00 173.24 176.02 1nf8 h GLU 182 N 2.00 0.97 -0.48 4.02 4.81 -1.88 -1.71 114.58 122.31 1nf8 h GLU 182 Ca -0.20 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1nf8 h GLU 182 Cb 1.21 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1nf8 h GLU 182 CO 0.27 0.64 0.07 0.00 -0.73 0.00 0.00 179.01 179.26 1nf8 h ALA 183 N 1.37 0.64 -0.50 2.92 0.00 -1.98 0.13 119.26 121.83 1nf8 h ALA 183 Ca 0.34 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nf8 h ALA 183 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1nf8 h ALA 183 CO -0.14 0.38 0.25 0.45 0.00 0.00 0.00 179.25 180.19 1nf8 h HIS 184 N 0.67 0.46 -0.12 0.00 3.86 -1.89 -0.62 115.15 117.51 1nf8 h HIS 184 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1nf8 h HIS 184 Cb 0.40 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1nf8 h HIS 184 CO 0.03 0.22 0.05 1.25 0.86 0.00 0.00 177.93 180.34 1nf8 h HIS 185 N 0.49 0.17 -0.70 2.45 6.17 -0.96 -1.19 115.15 121.57 1nf8 h HIS 185 Ca 0.22 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1nf8 h HIS 185 Cb 0.13 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.98 1nf8 h HIS 185 CO -0.10 0.25 0.42 -0.09 0.71 0.00 0.00 177.93 179.12 1nf8 h ARG 186 N 0.04 0.95 -0.44 5.26 2.43 -0.64 -1.68 114.38 120.31 1nf8 h ARG 186 Ca 0.04 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1nf8 h ARG 186 Cb 0.15 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1nf8 h ARG 186 CO -0.00 0.67 -0.07 0.52 -1.51 0.00 0.00 179.97 179.58 1nf8 h MET 187 N 0.95 0.76 -0.70 0.20 2.86 -0.93 -1.19 114.93 116.89 1nf8 h MET 187 Ca 0.25 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1nf8 h MET 187 Cb -0.04 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1nf8 h MET 187 CO -0.05 0.81 0.43 0.00 1.06 0.00 0.00 176.91 179.17 1nf8 h ALA 188 N 1.23 0.91 -0.74 6.32 0.00 -0.81 0.17 119.26 126.34 1nf8 h ALA 188 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nf8 h ALA 188 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nf8 h ALA 188 CO 0.03 0.20 0.25 -0.07 0.00 0.00 0.00 179.25 179.67 1nf8 h LEU 189 N 0.85 1.05 -0.57 0.00 3.38 -0.83 -0.31 115.31 118.87 1nf8 h LEU 189 Ca 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1nf8 h LEU 189 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1nf8 h LEU 189 CO -0.11 0.96 0.19 -0.33 0.09 0.00 0.00 178.44 179.23 1nf8 h GLU 190 N 1.09 0.88 0.27 1.13 5.08 -0.79 0.08 114.58 122.33 1nf8 h GLU 190 Ca 0.24 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1nf8 h GLU 190 Cb 0.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nf8 h GLU 190 CO -0.01 0.79 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.74 1nf8 h TYR 191 N 0.80 -0.34 0.02 4.33 5.03 -0.80 -2.93 116.97 123.09 1nf8 h TYR 191 Ca 0.18 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.51 1nf8 h TYR 191 Cb 0.27 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 1nf8 h TYR 191 CO 0.02 -0.16 -0.17 0.00 -1.32 0.00 0.00 178.16 176.53 1nf8 h ALA 192 N 0.28 -0.23 0.00 1.82 0.00 -0.76 -0.29 119.26 120.08 1nf8 h ALA 192 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nf8 h ALA 192 Cb 0.33 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nf8 h ALA 192 CO 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 179.25 178.57 1nf8 h ALA 193 N 0.61 1.33 -0.01 0.00 0.00 -1.01 -0.26 119.26 119.93 1nf8 h ALA 193 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nf8 h ALA 193 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nf8 h ALA 193 CO -0.15 0.09 -0.27 -1.13 0.00 0.00 0.00 179.25 177.79 1nf8 n SER 194 N -3.65 1.62 0.00 0.00 3.41 -1.06 -2.25 113.62 111.68 1nf8 n SER 194 Ca -0.02 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1nf8 n SER 194 Cb 0.18 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1nf8 n SER 194 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nf8 n ARG 195 N -0.03 3.88 0.00 4.33 5.12 -0.14 -5.00 116.66 124.82 1nf8 n ARG 195 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1nf8 n ARG 195 Cb 0.32 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1nf8 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nf8 s ALA 197 N 0.00 -1.49 -0.13 0.00 0.00 -0.30 -4.36 121.76 115.48 1nf8 s ALA 197 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 1nf8 s ALA 197 Cb 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1nf8 s ALA 197 CO 0.00 -0.88 0.71 -1.64 0.00 0.00 0.00 175.76 173.95 1nf8 s MET 198 N -3.73 4.34 -0.20 0.00 1.00 0.13 -4.08 119.30 116.76 1nf8 s MET 198 Ca 0.06 0.84 -0.13 0.00 0.00 0.00 0.00 55.69 56.45 1nf8 s MET 198 Cb -0.03 -3.52 -0.05 0.00 0.00 0.00 0.00 34.83 31.24 1nf8 s MET 198 CO -0.04 -0.12 0.27 0.08 0.00 0.00 0.00 175.02 175.21 1nf8 s VAL 199 N 1.46 5.30 0.06 -6.03 1.01 -1.26 -0.61 120.40 120.32 1nf8 s VAL 199 Ca 0.35 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 1nf8 s VAL 199 Cb -0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1nf8 s VAL 199 CO 0.14 0.33 -0.00 0.68 0.00 0.00 0.00 175.10 176.25 1nf8 s VAL 200 N 0.91 0.21 0.39 2.92 -7.23 -0.59 -4.91 120.40 112.11 1nf8 s VAL 200 Ca 0.14 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1nf8 s VAL 200 Cb -0.13 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1nf8 s VAL 200 CO 0.05 -0.95 0.57 0.42 -0.31 0.00 0.00 175.10 174.88 1nf8 s THR 201 N -3.92 4.07 0.22 5.32 -4.23 -1.26 -0.43 115.64 115.41 1nf8 s THR 201 Ca 0.07 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 1nf8 s THR 201 Cb 0.08 -3.46 0.18 0.00 1.34 0.00 0.00 72.50 70.64 1nf8 s THR 201 CO -0.10 -0.25 1.75 0.74 -0.54 0.00 0.00 174.62 176.22 1nf8 h THR 202 N 0.65 0.75 -0.71 3.99 2.02 -1.91 -0.82 112.91 116.88 1nf8 h THR 202 Ca -0.46 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1nf8 h THR 202 Cb 1.25 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1nf8 h THR 202 CO 0.55 0.08 0.47 0.44 0.37 0.00 0.00 175.52 177.43 1nf8 h ASP 203 N 0.47 0.70 -0.14 4.18 3.32 -1.95 -1.92 116.42 121.07 1nf8 h ASP 203 Ca 0.35 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.25 1nf8 h ASP 203 Cb 0.45 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1nf8 h ASP 203 CO -0.33 0.47 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.91 1nf8 h GLU 204 N 0.81 0.69 -0.57 3.56 5.08 -1.47 -0.97 114.58 121.72 1nf8 h GLU 204 Ca 0.29 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1nf8 h GLU 204 Cb 0.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1nf8 h GLU 204 CO -0.09 0.99 -0.02 0.28 -1.00 0.00 0.00 179.01 179.16 1nf8 h VAL 205 N 0.56 1.27 0.00 3.13 2.07 -0.64 -3.13 116.25 119.50 1nf8 h VAL 205 Ca 0.04 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1nf8 h VAL 205 Cb 0.97 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1nf8 h VAL 205 CO 0.09 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.28 1nf8 n LEU 206 N -4.21 0.00 0.00 2.57 4.32 -0.79 -5.13 117.00 113.76 1nf8 n LEU 206 Ca 0.02 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1nf8 n LEU 206 Cb 0.35 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1nf8 n LEU 206 CO 0.44 -0.04 0.00 -0.62 -1.22 0.00 0.00 177.39 175.95