#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ia1 s LEU 2 N 0.00 4.04 -1.10 -0.89 2.96 -1.26 -4.25 118.68 118.18 1ia1 s LEU 2 Ca 0.00 0.11 -0.32 0.00 -0.22 0.00 0.00 54.13 53.70 1ia1 s LEU 2 Cb 0.00 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1ia1 s LEU 2 CO 0.00 0.10 0.60 0.29 -1.32 0.00 0.00 176.35 176.02 1ia1 n LYS 3 N 4.07 -0.28 -1.42 1.98 4.76 -1.26 -4.94 118.16 121.07 1ia1 n LYS 3 Ca -0.15 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 54.96 1ia1 n LYS 3 Cb 0.52 -2.10 0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1ia1 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ia1 s PRO 4 N -7.26 2.45 0.06 1.97 0.04 -1.26 -5.00 135.00 125.99 1ia1 s PRO 4 Ca 0.44 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1ia1 s PRO 4 Cb -0.25 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1ia1 s PRO 4 CO 0.88 -1.50 0.95 -0.80 0.04 0.00 0.00 177.00 176.56 1ia1 s ASN 5 N -3.17 7.42 0.10 6.66 0.01 -1.26 -4.87 114.94 119.83 1ia1 s ASN 5 Ca 0.63 1.71 0.10 0.00 -0.71 0.00 0.00 52.86 54.59 1ia1 s ASN 5 Cb -0.18 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1ia1 s ASN 5 CO 0.52 -0.13 -0.26 0.54 -1.51 0.00 0.00 177.10 176.25 1ia1 s VAL 6 N 0.39 2.16 0.00 1.60 0.11 -0.54 -4.42 120.40 119.70 1ia1 s VAL 6 Ca 0.48 -1.64 0.07 0.00 -2.93 0.00 0.00 61.98 57.96 1ia1 s VAL 6 Cb -0.22 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1ia1 s VAL 6 CO 0.28 0.15 -0.21 0.00 -3.33 0.00 0.00 175.10 172.00 1ia1 s ALA 7 N -1.00 2.44 -0.06 1.54 0.00 -0.48 -1.01 121.76 123.19 1ia1 s ALA 7 Ca 0.13 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1ia1 s ALA 7 Cb -0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1ia1 s ALA 7 CO 0.05 0.55 0.23 0.42 0.00 0.00 0.00 175.76 177.01 1ia1 s ILE 8 N -0.77 5.36 -0.08 0.00 1.01 0.19 -0.31 121.20 126.60 1ia1 s ILE 8 Ca 0.12 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1ia1 s ILE 8 Cb -0.10 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1ia1 s ILE 8 CO 0.02 0.55 -0.11 -0.51 0.00 0.00 0.00 174.94 174.88 1ia1 s ILE 9 N -1.11 1.13 0.07 2.92 2.07 -0.69 0.31 121.20 125.91 1ia1 s ILE 9 Ca 0.20 -0.44 -0.17 0.00 -1.41 0.00 0.00 60.65 58.83 1ia1 s ILE 9 Cb -0.13 -1.06 0.04 0.00 0.13 0.00 0.00 42.46 41.43 1ia1 s ILE 9 CO 0.09 0.36 0.41 0.54 -1.91 0.00 0.00 174.94 174.43 1ia1 s VAL 10 N 0.95 0.06 -0.17 4.00 0.11 -0.41 -4.55 120.40 120.40 1ia1 s VAL 10 Ca -0.09 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1ia1 s VAL 10 Cb -0.15 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1ia1 s VAL 10 CO 0.00 -0.28 -0.11 0.00 -3.33 0.00 0.00 175.10 171.38 1ia1 s ALA 11 N -2.92 2.62 0.04 1.54 0.00 -1.26 -0.28 121.76 121.50 1ia1 s ALA 11 Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1ia1 s ALA 11 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1ia1 s ALA 11 CO -0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 175.76 175.54 1ia1 s ALA 12 N 0.91 0.58 -0.20 0.00 0.00 -0.26 -4.68 121.76 118.10 1ia1 s ALA 12 Ca -0.03 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1ia1 s ALA 12 Cb -0.15 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1ia1 s ALA 12 CO -0.01 0.01 0.57 -1.17 0.00 0.00 0.00 175.76 175.17 1ia1 s LEU 13 N -1.35 4.15 0.49 0.00 2.96 -0.09 -1.11 118.68 123.72 1ia1 s LEU 13 Ca -0.08 0.76 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 1ia1 s LEU 13 Cb -0.09 -2.80 -0.09 0.00 0.50 0.00 0.00 46.19 43.72 1ia1 s LEU 13 CO 0.00 -0.22 0.98 -0.54 -1.32 0.00 0.00 176.35 175.25 1ia1 s LYS 14 N 1.75 4.01 0.02 1.98 1.02 -0.01 0.01 119.74 128.53 1ia1 s LYS 14 Ca 0.26 1.00 0.23 0.00 0.02 0.00 0.00 55.97 57.49 1ia1 s LYS 14 Cb -0.16 -2.15 0.15 0.00 -0.52 0.00 0.00 37.83 35.15 1ia1 s LYS 14 CO 0.10 -0.22 1.14 -0.35 -0.92 0.00 0.00 175.35 175.10 1ia1 n PRO 15 N -1.35 0.12 0.09 -1.68 -0.04 -1.26 -4.76 135.00 126.11 1ia1 n PRO 15 Ca 0.07 -0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1ia1 n PRO 15 Cb 0.54 -1.54 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 1ia1 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ia1 n ALA 16 N -1.63 2.18 -3.16 0.55 0.00 -1.24 -4.95 120.51 112.26 1ia1 n ALA 16 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1ia1 n ALA 16 Cb 0.37 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.44 1ia1 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ia1 n LEU 17 N -2.11 -3.27 -4.77 0.00 4.77 0.10 -4.56 117.00 107.15 1ia1 n LEU 17 Ca 0.05 -0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 55.23 1ia1 n LEU 17 Cb 0.38 -2.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.04 1ia1 n LEU 17 CO 0.28 0.37 0.75 -0.83 -1.33 0.00 0.00 177.39 176.62 1ia1 s GLY 18 N -3.64 2.89 0.00 -0.72 0.00 -0.96 -1.13 107.32 103.75 1ia1 s GLY 18 Ca 0.20 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1ia1 s GLY 18 CO 0.53 1.27 0.00 0.29 0.00 0.00 0.00 173.10 175.19 1ia1 n ILE 19 N 0.51 0.00 -3.71 0.90 -5.35 -0.35 -0.92 119.36 110.44 1ia1 n ILE 19 Ca 0.02 -0.22 -0.03 0.00 -0.27 0.00 0.00 62.75 62.26 1ia1 n ILE 19 Cb 0.48 1.01 -0.01 0.00 -1.74 0.00 0.00 39.64 39.37 1ia1 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ia1 s GLY 20 N -0.43 -0.28 -0.18 3.28 0.00 -1.20 -4.63 107.32 103.88 1ia1 s GLY 20 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.97 1ia1 s GLY 20 CO 0.00 0.05 0.37 -0.47 0.00 0.00 0.00 173.10 173.06 1ia1 s TYR 21 N -3.09 -0.70 -1.41 1.90 6.14 0.09 -1.85 117.35 118.43 1ia1 s TYR 21 Ca 0.12 1.33 -0.12 0.00 0.64 0.00 0.00 57.07 59.04 1ia1 s TYR 21 Cb -0.00 0.19 0.01 0.00 0.42 0.00 0.00 41.96 42.59 1ia1 s TYR 21 CO 0.00 -0.46 0.29 0.36 0.64 0.00 0.00 175.55 176.38 1ia1 n LYS 22 N 5.38 -0.98 -0.95 4.97 2.85 -1.26 -1.06 118.16 127.10 1ia1 n LYS 22 Ca -0.08 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1ia1 n LYS 22 Cb 0.50 -3.36 0.00 0.00 -0.65 0.00 0.00 35.03 31.51 1ia1 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ia1 n GLY 23 N -2.33 0.73 3.46 2.58 0.00 -1.26 -5.00 105.19 103.36 1ia1 n GLY 23 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1ia1 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ia1 s LYS 24 N -0.18 1.64 0.22 1.61 0.00 -0.23 -5.03 119.74 117.77 1ia1 s LYS 24 Ca 0.00 -1.88 -0.25 0.00 0.00 0.00 0.00 55.97 53.84 1ia1 s LYS 24 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 37.83 36.68 1ia1 s LYS 24 CO 0.00 -0.08 0.83 -1.64 0.00 0.00 0.00 175.35 174.46 1ia1 s MET 25 N -3.80 4.57 0.00 1.78 -1.94 -1.26 -0.73 119.30 117.92 1ia1 s MET 25 Ca 0.33 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.51 1ia1 s MET 25 Cb 0.07 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1ia1 s MET 25 CO 0.14 0.47 0.91 -2.30 -0.01 0.00 0.00 175.02 174.24 1ia1 n PRO 26 N 1.21 0.93 -3.58 2.03 -0.02 -1.26 -4.85 135.00 129.46 1ia1 n PRO 26 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1ia1 n PRO 26 Cb 0.49 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 1ia1 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1ia1 s TRP 27 N -1.97 -0.41 -0.32 6.00 -2.14 -1.26 -5.01 118.94 113.83 1ia1 s TRP 27 Ca 0.00 0.11 -0.01 0.00 2.66 0.00 0.00 56.10 58.86 1ia1 s TRP 27 Cb 0.00 0.60 0.10 0.00 -3.10 0.00 0.00 33.47 31.08 1ia1 s TRP 27 CO 0.00 -0.98 0.12 0.50 -2.66 0.00 0.00 176.95 173.93 1ia1 s ARG 28 N -3.81 0.67 -0.43 3.25 3.52 -1.26 -5.07 118.95 115.82 1ia1 s ARG 28 Ca 0.05 -1.08 -0.08 0.00 -0.13 0.00 0.00 55.73 54.48 1ia1 s ARG 28 Cb -0.03 -1.87 0.09 0.00 -1.56 0.00 0.00 34.95 31.59 1ia1 s ARG 28 CO -0.06 -1.01 0.28 -0.51 -0.81 0.00 0.00 175.30 173.18 1ia1 s LEU 29 N 1.57 5.31 0.19 -0.88 1.43 -1.26 -4.99 118.68 120.05 1ia1 s LEU 29 Ca 0.11 -1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 51.40 1ia1 s LEU 29 Cb -0.18 -1.97 0.11 0.00 0.03 0.00 0.00 46.19 44.18 1ia1 s LEU 29 CO -0.24 -0.58 1.85 0.03 0.23 0.00 0.00 176.35 177.63 1ia1 h ARG 30 N 8.38 0.77 -0.49 1.70 2.47 -1.99 -2.15 114.38 123.07 1ia1 h ARG 30 Ca -0.21 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.38 1ia1 h ARG 30 Cb 1.08 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1ia1 h ARG 30 CO 0.78 0.51 -0.02 0.87 0.56 0.00 0.00 179.97 182.67 1ia1 h LYS 31 N 0.79 0.84 -0.48 0.04 1.57 -2.00 -2.66 116.57 114.68 1ia1 h LYS 31 Ca 0.23 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1ia1 h LYS 31 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ia1 h LYS 31 CO -0.07 0.85 0.05 1.49 -0.57 0.00 0.00 179.45 181.20 1ia1 h GLU 32 N 0.77 0.81 -0.73 3.15 4.22 -1.92 -1.52 114.58 119.36 1ia1 h GLU 32 Ca 0.14 -0.24 0.05 0.00 0.08 0.00 0.00 59.36 59.40 1ia1 h GLU 32 Cb 0.50 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1ia1 h GLU 32 CO 0.03 0.84 0.43 0.82 -2.18 0.00 0.00 179.01 178.95 1ia1 h ILE 33 N 0.68 1.02 -0.53 2.32 2.04 -1.33 -0.19 117.51 121.53 1ia1 h ILE 33 Ca 0.14 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1ia1 h ILE 33 Cb 0.44 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1ia1 h ILE 33 CO 0.02 0.15 -0.01 -0.09 0.00 0.00 0.00 178.15 178.21 1ia1 h ARG 34 N 0.81 0.90 0.17 2.37 2.43 -1.02 -1.97 114.38 118.07 1ia1 h ARG 34 Ca 0.32 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ia1 h ARG 34 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ia1 h ARG 34 CO -0.16 0.91 -0.12 -0.92 -1.51 0.00 0.00 179.97 178.16 1ia1 h TYR 35 N 0.83 -0.32 -0.52 2.20 5.03 -0.86 -0.13 116.97 123.20 1ia1 h TYR 35 Ca 0.15 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.57 1ia1 h TYR 35 Cb 0.51 0.12 -0.10 0.00 1.55 0.00 0.00 36.73 38.81 1ia1 h TYR 35 CO 0.03 -0.19 -0.21 0.35 -1.32 0.00 0.00 178.16 176.82 1ia1 h PHE 36 N -0.30 -0.51 -0.08 -3.82 3.04 -0.84 0.22 116.94 114.66 1ia1 h PHE 36 Ca -0.01 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1ia1 h PHE 36 Cb 0.26 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 1ia1 h PHE 36 CO -0.10 -0.30 0.05 -0.22 -2.02 0.00 0.00 178.31 175.72 1ia1 h LYS 37 N -0.08 0.10 -0.04 1.11 3.11 -0.99 -1.71 116.57 118.07 1ia1 h LYS 37 Ca 0.24 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1ia1 h LYS 37 Cb 0.46 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1ia1 h LYS 37 CO -0.58 0.07 0.02 -0.44 -2.81 0.00 0.00 179.45 175.71 1ia1 h ASP 38 N 0.11 0.05 -0.32 4.20 3.45 -0.54 -1.31 116.42 122.06 1ia1 h ASP 38 Ca 0.03 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 1ia1 h ASP 38 Cb -0.01 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1ia1 h ASP 38 CO -0.01 0.07 0.19 0.58 -1.57 0.00 0.00 179.24 178.50 1ia1 h VAL 39 N 0.02 1.12 0.00 -1.35 2.07 -0.48 -0.66 116.25 116.96 1ia1 h VAL 39 Ca 0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1ia1 h VAL 39 Cb 0.03 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ia1 h VAL 39 CO -0.00 0.12 0.00 0.71 0.02 0.00 0.00 177.57 178.41 1ia1 h THR 40 N 0.41 0.00 0.07 2.57 1.35 -1.27 -3.32 112.91 112.72 1ia1 h THR 40 Ca 0.11 -0.70 -0.36 0.00 -0.55 0.00 0.00 66.41 64.91 1ia1 h THR 40 Cb 0.02 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 1ia1 h THR 40 CO -0.02 0.00 -2.09 0.35 -0.25 0.00 0.00 175.52 173.51 1ia1 n THR 41 N -3.05 1.66 -1.83 6.82 -2.24 -0.50 -4.56 114.28 110.59 1ia1 n THR 41 Ca 0.02 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 1ia1 n THR 41 Cb 0.40 -1.69 -0.01 0.00 -2.10 0.00 0.00 70.33 66.93 1ia1 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ia1 s ARG 42 N -2.53 4.14 0.16 -0.78 1.81 -0.27 -4.62 118.95 116.87 1ia1 s ARG 42 Ca -0.28 2.53 0.03 0.00 -1.72 0.00 0.00 55.73 56.30 1ia1 s ARG 42 Cb 0.08 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.53 1ia1 s ARG 42 CO 0.69 -0.53 -0.06 0.95 -0.68 0.00 0.00 175.30 175.67 1ia1 s THR 43 N -0.74 0.99 -0.22 0.02 -4.23 -1.26 -4.89 115.64 105.31 1ia1 s THR 43 Ca 0.56 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1ia1 s THR 43 Cb -0.46 -1.97 -0.14 0.00 1.34 0.00 0.00 72.50 71.27 1ia1 s THR 43 CO 0.57 -0.63 -0.20 0.41 -0.54 0.00 0.00 174.62 174.23 1ia1 n THR 44 N -0.23 1.23 -1.39 3.99 -1.04 -1.26 -5.01 114.28 110.57 1ia1 n THR 44 Ca -0.09 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.05 61.16 1ia1 n THR 44 Cb 0.62 -1.32 0.08 0.00 -1.82 0.00 0.00 70.33 67.89 1ia1 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ia1 s LYS 45 N -2.43 2.33 -0.01 -2.82 3.01 -1.26 -5.05 119.74 113.51 1ia1 s LYS 45 Ca -0.29 0.98 -0.10 0.00 -1.01 0.00 0.00 55.97 55.54 1ia1 s LYS 45 Cb 0.08 -1.92 -0.06 0.00 -1.01 0.00 0.00 37.83 34.92 1ia1 s LYS 45 CO 0.48 -1.54 0.64 -1.00 0.51 0.00 0.00 175.35 174.45 1ia1 h PRO 46 N -1.04 -0.36 -1.04 -1.68 0.13 -2.03 -3.36 132.00 122.62 1ia1 h PRO 46 Ca -0.45 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.06 1ia1 h PRO 46 Cb 1.24 0.08 -0.33 0.00 0.13 0.00 0.00 31.00 32.12 1ia1 h PRO 46 CO 0.55 -0.24 0.37 0.09 -0.23 0.00 0.00 178.00 178.53 1ia1 n ASN 47 N -3.82 6.83 -4.79 1.44 5.03 -1.26 -4.98 115.26 113.70 1ia1 n ASN 47 Ca -0.05 -3.78 -0.23 0.00 0.87 0.00 0.00 54.58 51.40 1ia1 n ASN 47 Cb 0.15 -0.79 -0.05 0.00 -1.02 0.00 0.00 39.78 38.06 1ia1 n ASN 47 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ia1 s THR 48 N -4.82 2.67 0.12 3.41 -4.23 -1.26 -4.92 115.64 106.61 1ia1 s THR 48 Ca 0.59 -1.55 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1ia1 s THR 48 Cb 0.47 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1ia1 s THR 48 CO -0.04 -0.05 0.10 -0.13 -0.54 0.00 0.00 174.62 173.95 1ia1 s ARG 49 N -3.98 0.90 0.33 3.99 0.52 -1.09 -4.94 118.95 114.68 1ia1 s ARG 49 Ca 0.43 -1.30 0.06 0.00 -0.52 0.00 0.00 55.73 54.40 1ia1 s ARG 49 Cb -0.01 0.27 -0.01 0.00 0.52 0.00 0.00 34.95 35.73 1ia1 s ARG 49 CO 0.25 -0.26 0.47 -0.80 0.02 0.00 0.00 175.30 174.98 1ia1 s ASN 50 N -2.99 5.99 0.02 0.23 0.01 -1.26 -0.46 114.94 116.47 1ia1 s ASN 50 Ca 0.17 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.23 1ia1 s ASN 50 Cb 0.07 -1.28 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 1ia1 s ASN 50 CO -0.02 -0.42 -0.14 0.00 -1.51 0.00 0.00 177.10 175.00 1ia1 s ALA 51 N -2.18 2.72 -0.08 0.60 0.00 -0.14 -0.78 121.76 121.90 1ia1 s ALA 51 Ca 0.44 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1ia1 s ALA 51 Cb -0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 1ia1 s ALA 51 CO 0.31 0.58 -0.22 0.14 0.00 0.00 0.00 175.76 176.57 1ia1 s VAL 52 N -0.91 1.87 -0.06 0.00 -7.23 0.77 -1.21 120.40 113.63 1ia1 s VAL 52 Ca 0.15 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 1ia1 s VAL 52 Cb -0.11 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1ia1 s VAL 52 CO 0.05 0.52 -0.17 0.27 -0.31 0.00 0.00 175.10 175.46 1ia1 s ILE 53 N 0.22 2.83 0.13 -0.62 -5.25 0.91 -0.45 121.20 118.96 1ia1 s ILE 53 Ca -0.13 -0.79 -0.05 0.00 -0.99 0.00 0.00 60.65 58.68 1ia1 s ILE 53 Cb -0.16 -2.11 -0.02 0.00 2.95 0.00 0.00 42.46 43.13 1ia1 s ILE 53 CO 0.06 0.58 0.16 0.00 -1.79 0.00 0.00 174.94 173.95 1ia1 s MET 54 N -0.45 0.97 0.61 0.37 0.23 0.17 -0.52 119.30 120.68 1ia1 s MET 54 Ca 0.05 -1.23 -0.09 0.00 -1.03 0.00 0.00 55.69 53.39 1ia1 s MET 54 Cb -0.12 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1ia1 s MET 54 CO 0.02 -0.31 0.98 0.20 -2.03 0.00 0.00 175.02 173.88 1ia1 s GLY 55 N -2.97 1.61 0.23 3.16 0.00 0.07 -1.30 107.32 108.13 1ia1 s GLY 55 Ca 0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 1ia1 s GLY 55 CO -0.02 -0.02 1.84 -0.09 0.00 0.00 0.00 173.10 174.80 1ia1 h ARG 56 N -0.27 0.85 -0.84 2.90 2.43 -1.73 -1.99 114.38 115.73 1ia1 h ARG 56 Ca -0.45 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1ia1 h ARG 56 Cb 1.21 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1ia1 h ARG 56 CO 0.62 0.56 0.42 0.87 -1.51 0.00 0.00 179.97 180.93 1ia1 h LYS 57 N 0.87 1.20 -0.06 0.20 1.57 -1.93 -1.11 116.57 117.31 1ia1 h LYS 57 Ca 0.34 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ia1 h LYS 57 Cb 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1ia1 h LYS 57 CO -0.17 0.91 0.03 1.15 -0.57 0.00 0.00 179.45 180.80 1ia1 h THR 58 N 1.19 1.09 -0.17 -0.16 2.02 -1.79 -2.11 112.91 112.98 1ia1 h THR 58 Ca 0.29 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1ia1 h THR 58 Cb 0.10 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1ia1 h THR 58 CO -0.04 0.08 -0.31 -0.25 0.37 0.00 0.00 175.52 175.37 1ia1 h TRP 59 N -0.01 -0.84 0.00 3.16 2.91 -1.10 -1.45 115.95 118.62 1ia1 h TRP 59 Ca 0.02 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1ia1 h TRP 59 Cb 0.10 0.40 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1ia1 h TRP 59 CO -0.04 -0.38 -0.00 0.93 -1.03 0.00 0.00 178.44 177.91 1ia1 h GLU 60 N -0.36 0.00 0.00 2.65 5.08 -1.09 -2.08 114.58 118.78 1ia1 h GLU 60 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ia1 h GLU 60 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ia1 h GLU 60 CO -0.37 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.30 1ia1 h SER 61 N 0.00 0.00 -3.43 1.42 4.64 -0.55 -3.44 113.55 112.20 1ia1 h SER 61 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1ia1 h SER 61 Cb 0.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1ia1 h SER 61 CO 0.00 0.00 0.15 -0.63 -0.87 0.00 0.00 176.83 175.49 1ia1 s ILE 62 N -3.19 4.72 0.32 0.95 1.01 -0.79 -5.00 121.20 119.23 1ia1 s ILE 62 Ca 0.08 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.06 1ia1 s ILE 62 Cb 0.11 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.35 1ia1 s ILE 62 CO 0.55 0.37 1.52 -2.65 0.00 0.00 0.00 174.94 174.74 1ia1 n PRO 63 N 2.76 2.61 -0.34 2.79 -0.02 -1.26 -4.83 135.00 136.71 1ia1 n PRO 63 Ca -0.03 0.92 0.26 0.00 -2.02 0.00 0.00 63.50 62.64 1ia1 n PRO 63 Cb 0.50 -2.67 0.56 0.00 -0.02 0.00 0.00 33.50 31.88 1ia1 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ia1 h GLN 64 N 3.93 0.29 0.00 -0.52 3.07 -1.94 0.15 115.11 120.09 1ia1 h GLN 64 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.24 1ia1 h GLN 64 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1ia1 h GLN 64 CO 0.72 0.19 0.00 0.87 0.09 0.00 0.00 178.83 180.70 1ia1 h LYS 65 N 0.30 0.00 -0.39 0.06 6.56 -2.02 -3.14 116.57 117.94 1ia1 h LYS 65 Ca 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.21 1ia1 h LYS 65 Cb 1.75 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.41 1ia1 h LYS 65 CO -0.27 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.31 1ia1 n PHE 66 N -2.88 0.96 -4.45 -1.35 3.72 0.51 -4.92 117.46 109.04 1ia1 n PHE 66 Ca 0.01 -0.69 -0.27 0.00 -0.05 0.00 0.00 57.45 56.46 1ia1 n PHE 66 Cb 0.31 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.51 1ia1 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ia1 s ARG 67 N -2.02 1.34 0.94 -1.08 1.70 -1.19 -4.25 118.95 114.39 1ia1 s ARG 67 Ca 0.39 -1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 54.34 1ia1 s ARG 67 Cb 0.27 -1.65 0.15 0.00 -0.57 0.00 0.00 34.95 33.15 1ia1 s ARG 67 CO 0.15 0.40 1.09 -1.25 -1.08 0.00 0.00 175.30 174.61 1ia1 s PRO 68 N -1.77 0.90 0.17 3.89 0.04 -1.26 -4.98 135.00 131.98 1ia1 s PRO 68 Ca 0.10 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1ia1 s PRO 68 Cb -0.10 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1ia1 s PRO 68 CO 0.04 -2.47 1.48 -0.51 0.04 0.00 0.00 177.00 175.58 1ia1 s LEU 69 N -6.36 4.37 0.54 -3.56 1.43 -1.26 -4.93 118.68 108.93 1ia1 s LEU 69 Ca 0.64 2.53 -0.20 0.00 -1.03 0.00 0.00 54.13 56.08 1ia1 s LEU 69 Cb -0.19 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1ia1 s LEU 69 CO 0.58 -0.74 1.14 -2.16 0.23 0.00 0.00 176.35 175.40 1ia1 s PRO 70 N 0.80 3.35 0.00 1.29 0.04 -1.26 -3.60 135.00 135.61 1ia1 s PRO 70 Ca 0.66 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1ia1 s PRO 70 Cb -0.41 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1ia1 s PRO 70 CO 0.33 -0.86 0.00 -0.25 0.04 0.00 0.00 177.00 176.26 1ia1 n ASP 71 N -1.27 -1.76 -4.14 6.66 8.00 -1.26 -4.98 116.55 117.81 1ia1 n ASP 71 Ca 0.12 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 1ia1 n ASP 71 Cb 0.51 -1.08 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 1ia1 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ia1 s ARG 72 N -0.46 0.75 0.08 -1.24 0.52 -1.24 -4.55 118.95 112.82 1ia1 s ARG 72 Ca 0.00 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.04 1ia1 s ARG 72 Cb 0.00 -0.70 -0.07 0.00 0.52 0.00 0.00 34.95 34.70 1ia1 s ARG 72 CO 0.00 0.16 1.33 -1.17 0.02 0.00 0.00 175.30 175.63 1ia1 s LEU 73 N -1.58 4.36 -0.19 2.53 2.96 0.04 -4.81 118.68 122.00 1ia1 s LEU 73 Ca -0.03 2.20 -0.08 0.00 -0.22 0.00 0.00 54.13 56.00 1ia1 s LEU 73 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1ia1 s LEU 73 CO 0.02 -0.60 0.08 0.20 -1.32 0.00 0.00 176.35 174.72 1ia1 s ASN 74 N 1.17 5.73 -0.10 3.68 0.02 0.11 -0.17 114.94 125.38 1ia1 s ASN 74 Ca 0.62 0.10 0.04 0.00 -1.02 0.00 0.00 52.86 52.60 1ia1 s ASN 74 Cb -0.34 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 38.95 1ia1 s ASN 74 CO 0.29 0.17 -0.23 -0.63 0.02 0.00 0.00 177.10 176.72 1ia1 s ILE 75 N 0.41 2.01 -0.11 0.60 1.01 0.40 -1.10 121.20 124.42 1ia1 s ILE 75 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1ia1 s ILE 75 Cb -0.12 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1ia1 s ILE 75 CO 0.00 0.55 -0.24 -0.63 0.00 0.00 0.00 174.94 174.62 1ia1 s ILE 76 N 0.42 2.05 -0.11 2.92 1.09 -0.37 -0.65 121.20 126.54 1ia1 s ILE 76 Ca -0.17 -1.01 -0.04 0.00 -1.10 0.00 0.00 60.65 58.33 1ia1 s ILE 76 Cb -0.18 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1ia1 s ILE 76 CO 0.07 0.56 0.05 -0.76 -0.10 0.00 0.00 174.94 174.76 1ia1 s LEU 77 N 0.42 3.86 -0.07 2.97 1.43 -0.42 -2.27 118.68 124.60 1ia1 s LEU 77 Ca -0.17 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1ia1 s LEU 77 Cb -0.18 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1ia1 s LEU 77 CO 0.07 0.35 0.32 -0.55 0.23 0.00 0.00 176.35 176.78 1ia1 s SER 78 N -0.72 -0.27 0.54 2.29 0.15 -0.91 -1.87 113.70 112.92 1ia1 s SER 78 Ca 0.12 0.37 0.31 0.00 0.70 0.00 0.00 55.95 57.46 1ia1 s SER 78 Cb -0.12 0.50 1.52 0.00 -1.71 0.00 0.00 66.02 66.21 1ia1 s SER 78 CO 0.02 -0.28 2.07 0.03 1.20 0.00 0.00 173.24 176.28 1ia1 h ARG 79 N 4.75 0.00 0.00 5.44 3.08 -1.85 -2.34 114.38 123.45 1ia1 h ARG 79 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ia1 h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ia1 h ARG 79 CO 0.35 0.09 -0.15 0.43 -1.07 0.00 0.00 179.97 179.61 1ia1 n SER 80 N -3.39 0.27 -4.80 7.04 7.64 -1.26 -4.93 113.62 114.19 1ia1 n SER 80 Ca -0.01 0.32 -0.36 0.00 1.01 0.00 0.00 58.87 59.83 1ia1 n SER 80 Cb 0.25 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1ia1 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ia1 s TYR 81 N -3.03 3.65 0.48 1.43 2.02 -0.88 -5.07 117.35 115.95 1ia1 s TYR 81 Ca 0.12 1.57 -0.09 0.00 -0.37 0.00 0.00 57.07 58.31 1ia1 s TYR 81 Cb 0.17 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 1ia1 s TYR 81 CO 0.59 0.26 0.83 -1.21 -1.57 0.00 0.00 175.55 174.45 1ia1 s GLU 82 N -2.08 3.66 -0.51 -0.62 0.41 -1.26 -3.91 118.70 114.38 1ia1 s GLU 82 Ca 0.47 0.43 -0.28 0.00 -0.41 0.00 0.00 54.97 55.18 1ia1 s GLU 82 Cb -0.17 -2.32 0.02 0.00 -1.78 0.00 0.00 34.13 29.88 1ia1 s GLU 82 CO 0.22 -0.21 1.28 -0.80 -0.49 0.00 0.00 175.26 175.25 1ia1 s ASN 83 N -3.74 6.40 -0.07 -0.19 0.01 -1.26 -3.92 114.94 112.18 1ia1 s ASN 83 Ca 0.51 0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 53.03 1ia1 s ASN 83 Cb -0.10 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1ia1 s ASN 83 CO 0.41 -1.46 0.17 -0.70 -1.51 0.00 0.00 177.10 174.02 1ia1 s GLU 84 N 4.93 0.17 -0.32 -0.60 2.12 -0.50 -5.00 118.70 119.51 1ia1 s GLU 84 Ca 0.51 0.31 -0.23 0.00 0.36 0.00 0.00 54.97 55.92 1ia1 s GLU 84 Cb -0.09 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.29 1ia1 s GLU 84 CO 0.29 -0.08 0.75 0.42 -0.54 0.00 0.00 175.26 176.10 1ia1 s ILE 85 N 0.52 4.82 -0.05 -3.70 1.01 -1.26 -0.67 121.20 121.87 1ia1 s ILE 85 Ca -0.04 1.05 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 1ia1 s ILE 85 Cb -0.05 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1ia1 s ILE 85 CO -0.03 -0.26 0.61 0.40 0.00 0.00 0.00 174.94 175.67 1ia1 h ILE 86 N 5.62 0.18 -2.53 2.92 2.04 -1.09 -3.49 117.51 121.16 1ia1 h ILE 86 Ca -0.25 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1ia1 h ILE 86 Cb 1.10 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1ia1 h ILE 86 CO 0.87 0.05 -0.04 -0.90 0.00 0.00 0.00 178.15 178.13 1ia1 n ASP 87 N -5.05 -0.37 0.28 1.72 3.85 -1.05 -5.00 116.55 110.93 1ia1 n ASP 87 Ca -0.06 -1.51 0.19 0.00 -0.71 0.00 0.00 54.79 52.70 1ia1 n ASP 87 Cb 0.20 0.69 0.94 0.00 -1.35 0.00 0.00 41.12 41.60 1ia1 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ia1 h ASP 88 N 0.53 0.00 -0.00 -1.12 -0.00 -2.02 -2.87 116.42 110.93 1ia1 h ASP 88 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1ia1 h ASP 88 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1ia1 h ASP 88 CO 0.10 0.00 -0.45 0.59 -0.00 0.00 0.00 179.24 179.48 1ia1 n ASN 89 N -2.89 0.77 -3.85 2.28 3.02 -1.26 -4.90 115.26 108.43 1ia1 n ASN 89 Ca -0.01 -0.88 -0.20 0.00 -0.03 0.00 0.00 54.58 53.46 1ia1 n ASN 89 Cb 0.13 0.85 -0.16 0.00 -0.61 0.00 0.00 39.78 39.99 1ia1 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ia1 s ILE 90 N -1.92 0.40 -0.02 2.41 1.01 -1.09 0.05 121.20 122.06 1ia1 s ILE 90 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1ia1 s ILE 90 Cb 0.09 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1ia1 s ILE 90 CO 0.42 0.21 -0.21 -0.63 0.00 0.00 0.00 174.94 174.72 1ia1 s ILE 91 N 1.12 1.70 -0.09 2.92 1.01 -0.26 -0.39 121.20 127.21 1ia1 s ILE 91 Ca -0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1ia1 s ILE 91 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1ia1 s ILE 91 CO -0.01 0.48 -0.03 -1.00 0.00 0.00 0.00 174.94 174.38 1ia1 s HIS 92 N -0.47 3.07 0.17 3.97 3.76 0.16 -1.23 115.29 124.71 1ia1 s HIS 92 Ca 0.07 0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.86 1ia1 s HIS 92 Cb -0.09 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.88 1ia1 s HIS 92 CO -0.01 0.37 0.57 0.00 -0.85 0.00 0.00 174.74 174.82 1ia1 s ALA 93 N -0.74 -1.37 -1.51 -1.40 0.00 -0.96 -1.40 121.76 114.37 1ia1 s ALA 93 Ca 0.11 0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.49 1ia1 s ALA 93 Cb -0.11 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1ia1 s ALA 93 CO 0.02 -0.77 0.87 -1.13 0.00 0.00 0.00 175.76 174.75 1ia1 n SER 94 N -0.35 1.65 -3.64 0.00 3.41 -1.25 -2.14 113.62 111.28 1ia1 n SER 94 Ca -0.15 -1.32 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 1ia1 n SER 94 Cb 0.64 0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.99 1ia1 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ia1 s SER 95 N -1.96 -0.44 0.12 4.04 1.04 -1.26 -4.72 113.70 110.52 1ia1 s SER 95 Ca 0.14 0.47 -0.23 0.00 0.48 0.00 0.00 55.95 56.81 1ia1 s SER 95 Cb 0.13 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.69 1ia1 s SER 95 CO 0.42 -0.50 1.68 -0.29 0.98 0.00 0.00 173.24 175.53 1ia1 h ILE 96 N 3.50 0.64 -0.71 -1.02 2.10 -2.00 -1.43 117.51 118.60 1ia1 h ILE 96 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1ia1 h ILE 96 Cb 1.16 0.64 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 1ia1 h ILE 96 CO 0.37 0.00 0.44 -0.08 -1.08 0.00 0.00 178.15 177.81 1ia1 h GLU 97 N -0.22 0.95 -0.73 2.19 4.81 -2.00 -1.72 114.58 117.86 1ia1 h GLU 97 Ca 0.06 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1ia1 h GLU 97 Cb 0.30 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1ia1 h GLU 97 CO -0.17 0.66 0.43 1.03 -0.73 0.00 0.00 179.01 180.23 1ia1 h SER 98 N 0.96 0.66 -0.85 1.04 0.87 -1.95 -2.58 113.55 111.69 1ia1 h SER 98 Ca 0.26 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1ia1 h SER 98 Cb -0.06 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 1ia1 h SER 98 CO -0.05 0.43 0.41 0.77 -0.53 0.00 0.00 176.83 177.85 1ia1 h SER 99 N 0.79 1.12 0.56 6.23 4.64 -0.42 -2.81 113.55 123.65 1ia1 h SER 99 Ca 0.32 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1ia1 h SER 99 Cb 0.16 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1ia1 h SER 99 CO -0.17 0.94 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.57 1ia1 h LEU 100 N 1.22 0.00 -1.63 5.97 3.38 -0.95 -1.62 115.31 121.67 1ia1 h LEU 100 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1ia1 h LEU 100 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ia1 h LEU 100 CO -0.04 0.08 -0.12 0.78 0.09 0.00 0.00 178.44 179.24 1ia1 h ASN 101 N 0.00 0.00 0.36 -0.43 2.35 -1.29 -1.62 115.58 114.95 1ia1 h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ia1 h ASN 101 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1ia1 h ASN 101 CO 0.01 0.12 -0.21 0.18 -1.65 0.00 0.00 177.43 175.88 1ia1 n LEU 102 N -3.38 0.68 -4.64 1.61 7.99 -0.61 -4.35 117.00 114.29 1ia1 n LEU 102 Ca -0.01 -0.08 -0.30 0.00 -0.01 0.00 0.00 56.01 55.61 1ia1 n LEU 102 Cb 0.30 -0.18 -0.09 0.00 -0.11 0.00 0.00 43.42 43.34 1ia1 n LEU 102 CO 0.30 0.13 -0.37 0.68 -1.51 0.00 0.00 177.39 176.62 1ia1 s VAL 103 N -2.58 3.78 0.05 4.08 -7.23 -0.95 -5.00 120.40 112.55 1ia1 s VAL 103 Ca 0.24 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1ia1 s VAL 103 Cb 0.19 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1ia1 s VAL 103 CO 0.52 0.16 0.06 -0.94 -0.31 0.00 0.00 175.10 174.60 1ia1 s SER 104 N -2.14 0.27 -1.04 4.85 1.04 -1.26 -1.37 113.70 114.06 1ia1 s SER 104 Ca 0.23 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1ia1 s SER 104 Cb -0.11 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1ia1 s SER 104 CO 0.15 -0.57 0.88 -0.90 0.98 0.00 0.00 173.24 173.79 1ia1 n ASP 105 N 0.45 -5.33 -4.39 7.02 5.68 -1.26 -5.01 116.55 113.71 1ia1 n ASP 105 Ca -0.17 -0.40 -0.32 0.00 -0.50 0.00 0.00 54.79 53.40 1ia1 n ASP 105 Cb 0.60 -3.94 -0.14 0.00 -1.14 0.00 0.00 41.12 36.50 1ia1 n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ia1 s VAL 106 N -3.23 2.75 0.00 2.12 1.01 -1.26 -2.68 120.40 119.11 1ia1 s VAL 106 Ca 0.44 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1ia1 s VAL 106 Cb -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1ia1 s VAL 106 CO 0.54 0.57 0.00 1.21 0.00 0.00 0.00 175.10 177.42 1ia1 n GLU 107 N 2.71 0.00 -4.30 2.72 2.13 0.39 -4.91 120.64 119.38 1ia1 n GLU 107 Ca -0.17 0.23 -0.23 0.00 0.66 0.00 0.00 57.16 57.64 1ia1 n GLU 107 Cb 0.52 -0.71 -0.08 0.00 0.27 0.00 0.00 31.44 31.44 1ia1 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ia1 s ARG 108 N -0.94 2.19 -0.09 5.31 0.52 -1.26 -5.03 118.95 119.66 1ia1 s ARG 108 Ca 0.00 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 53.69 1ia1 s ARG 108 Cb 0.00 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.41 1ia1 s ARG 108 CO 0.00 0.29 -0.11 0.54 0.02 0.00 0.00 175.30 176.04 1ia1 s VAL 109 N -2.39 1.17 -0.04 3.52 0.11 -1.26 -0.97 120.40 120.54 1ia1 s VAL 109 Ca 0.32 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1ia1 s VAL 109 Cb -0.05 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1ia1 s VAL 109 CO 0.19 0.38 -0.25 -0.36 -3.33 0.00 0.00 175.10 171.73 1ia1 s PHE 110 N 1.04 2.39 -0.24 1.54 0.08 -0.35 -1.38 117.98 121.06 1ia1 s PHE 110 Ca -0.07 -0.60 -0.16 0.00 0.12 0.00 0.00 56.93 56.22 1ia1 s PHE 110 Cb -0.15 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1ia1 s PHE 110 CO -0.01 -0.14 0.40 0.42 -0.10 0.00 0.00 175.22 175.79 1ia1 s ILE 111 N -0.36 5.18 -1.61 0.64 1.01 0.58 -0.07 121.20 126.58 1ia1 s ILE 111 Ca 0.02 0.67 0.14 0.00 0.00 0.00 0.00 60.65 61.48 1ia1 s ILE 111 Cb -0.12 -3.72 0.22 0.00 0.01 0.00 0.00 42.46 38.84 1ia1 s ILE 111 CO 0.02 0.20 1.10 2.30 0.00 0.00 0.00 174.94 178.55 1ia1 n ILE 112 N 4.74 0.37 0.00 2.92 -5.35 0.32 -1.70 119.36 120.65 1ia1 n ILE 112 Ca -0.08 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1ia1 n ILE 112 Cb 0.51 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1ia1 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ia1 n GLY 113 N 0.83 0.80 0.00 3.28 0.00 -1.25 -4.94 105.19 103.91 1ia1 n GLY 113 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ia1 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ia1 n GLY 114 N -0.97 1.64 0.25 -0.02 0.00 -1.26 -0.75 105.19 104.08 1ia1 n GLY 114 Ca 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 1ia1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ia1 h ALA 115 N -1.27 0.87 -0.43 4.61 0.00 -1.96 0.21 119.26 121.29 1ia1 h ALA 115 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ia1 h ALA 115 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ia1 h ALA 115 CO 0.00 -0.06 0.09 1.49 0.00 0.00 0.00 179.25 180.77 1ia1 h GLU 116 N 0.56 0.69 0.18 0.00 4.81 -1.96 0.05 114.58 118.91 1ia1 h GLU 116 Ca 0.31 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ia1 h GLU 116 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ia1 h GLU 116 CO -0.24 0.71 -0.20 0.82 -0.73 0.00 0.00 179.01 179.37 1ia1 h ILE 117 N 0.56 0.56 -0.24 2.32 1.08 -1.75 -1.83 117.51 118.21 1ia1 h ILE 117 Ca 0.13 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.62 1ia1 h ILE 117 Cb 0.34 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1ia1 h ILE 117 CO 0.00 0.00 0.09 1.88 -0.69 0.00 0.00 178.15 179.44 1ia1 h TYR 118 N -0.41 0.17 0.00 1.37 0.05 -0.35 -0.96 116.97 116.84 1ia1 h TYR 118 Ca 0.01 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1ia1 h TYR 118 Cb 0.40 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1ia1 h TYR 118 CO -0.16 0.09 -0.20 -0.91 -1.05 0.00 0.00 178.16 175.93 1ia1 h ASN 119 N 0.21 0.00 0.00 3.88 2.35 -0.79 -2.21 115.58 119.02 1ia1 h ASN 119 Ca 0.10 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1ia1 h ASN 119 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1ia1 h ASN 119 CO -0.10 0.20 -0.76 -0.08 -1.65 0.00 0.00 177.43 175.04 1ia1 h GLU 120 N 0.00 0.00 0.00 0.81 4.57 -1.25 -3.40 114.58 115.31 1ia1 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ia1 h GLU 120 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1ia1 h GLU 120 CO 0.03 0.87 0.00 1.28 -1.18 0.00 0.00 179.01 180.00 1ia1 n LEU 121 N -4.52 0.72 0.25 1.64 4.32 -0.37 -2.58 117.00 116.46 1ia1 n LEU 121 Ca -0.22 0.65 0.10 0.00 -0.02 0.00 0.00 56.01 56.52 1ia1 n LEU 121 Cb 0.55 -0.51 0.67 0.00 -1.62 0.00 0.00 43.42 42.51 1ia1 n LEU 121 CO 0.22 -0.47 0.98 -0.29 -1.22 0.00 0.00 177.39 176.60 1ia1 h ILE 122 N 0.00 0.79 -0.47 -0.08 6.09 -1.60 -1.39 117.51 120.85 1ia1 h ILE 122 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1ia1 h ILE 122 Cb 0.46 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1ia1 h ILE 122 CO 0.00 0.11 0.00 0.59 -3.07 0.00 0.00 178.15 175.78 1ia1 n ASN 123 N -3.98 2.66 -4.66 2.19 3.02 -1.07 -4.86 115.26 108.58 1ia1 n ASN 123 Ca -0.02 -2.05 -0.39 0.00 -0.03 0.00 0.00 54.58 52.09 1ia1 n ASN 123 Cb 0.20 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1ia1 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ia1 s ASN 124 N -0.96 6.53 0.04 6.41 3.84 -0.53 -4.97 114.94 125.30 1ia1 s ASN 124 Ca 0.32 0.63 0.07 0.00 0.21 0.00 0.00 52.86 54.09 1ia1 s ASN 124 Cb 0.17 -2.28 0.32 0.00 -0.55 0.00 0.00 41.25 38.92 1ia1 s ASN 124 CO 0.21 -0.18 1.22 -1.54 -2.79 0.00 0.00 177.10 174.02 1ia1 n SER 125 N 4.86 0.08 0.17 -4.21 3.41 -1.26 -1.21 113.62 115.46 1ia1 n SER 125 Ca -0.05 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.12 1ia1 n SER 125 Cb 0.50 -0.54 0.39 0.00 -0.26 0.00 0.00 64.21 64.30 1ia1 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ia1 h LEU 126 N 0.00 0.09 -9.05 1.04 3.38 -1.92 -3.41 115.31 105.44 1ia1 h LEU 126 Ca 0.00 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 1ia1 h LEU 126 Cb 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ia1 h LEU 126 CO 0.00 0.36 1.10 -0.69 0.09 0.00 0.00 178.44 179.30 1ia1 s VAL 127 N -4.44 3.75 -0.07 1.22 1.01 -0.35 -1.47 120.40 120.05 1ia1 s VAL 127 Ca -0.04 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1ia1 s VAL 127 Cb 0.15 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1ia1 s VAL 127 CO 0.73 -0.29 0.15 -1.54 0.00 0.00 0.00 175.10 174.15 1ia1 n SER 128 N 8.24 2.81 -3.95 3.32 3.41 -0.18 -4.91 113.62 122.37 1ia1 n SER 128 Ca 0.18 -0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1ia1 n SER 128 Cb 0.45 1.20 -0.13 0.00 -0.26 0.00 0.00 64.21 65.47 1ia1 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ia1 s HIS 129 N -2.18 0.26 -0.13 7.33 3.76 -1.17 -4.00 115.29 119.16 1ia1 s HIS 129 Ca -0.01 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1ia1 s HIS 129 Cb 0.04 -0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.57 1ia1 s HIS 129 CO 0.24 -0.07 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.32 1ia1 s LEU 130 N -0.69 2.12 -0.43 0.89 1.43 -0.46 -0.63 118.68 120.91 1ia1 s LEU 130 Ca -0.06 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1ia1 s LEU 130 Cb -0.05 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.83 1ia1 s LEU 130 CO -0.00 0.10 0.27 -0.76 0.23 0.00 0.00 176.35 176.18 1ia1 s LEU 131 N 0.70 5.31 -0.24 1.79 1.02 0.15 -0.58 118.68 126.83 1ia1 s LEU 131 Ca -0.10 -1.74 -0.04 0.00 0.02 0.00 0.00 54.13 52.27 1ia1 s LEU 131 Cb -0.16 -1.95 -0.00 0.00 0.02 0.00 0.00 46.19 44.09 1ia1 s LEU 131 CO 0.01 -0.58 -0.02 -0.63 0.02 0.00 0.00 176.35 175.15 1ia1 s ILE 132 N 1.34 3.46 -0.23 -0.59 1.01 -0.88 -1.29 121.20 124.02 1ia1 s ILE 132 Ca 0.05 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 1ia1 s ILE 132 Cb -0.24 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1ia1 s ILE 132 CO -0.00 0.34 0.85 -0.89 0.00 0.00 0.00 174.94 175.25 1ia1 s THR 133 N 1.47 4.83 -0.37 2.92 2.01 0.62 -1.62 115.64 125.50 1ia1 s THR 133 Ca 0.05 1.64 -0.16 0.00 0.31 0.00 0.00 61.69 63.52 1ia1 s THR 133 Cb -0.15 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1ia1 s THR 133 CO -0.02 -0.07 0.38 -1.61 -0.69 0.00 0.00 174.62 172.62 1ia1 s GLU 134 N 2.74 3.36 -0.05 4.92 2.02 0.40 -1.11 118.70 131.00 1ia1 s GLU 134 Ca 0.37 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.69 1ia1 s GLU 134 Cb -0.15 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1ia1 s GLU 134 CO 0.08 -0.65 0.26 0.42 0.02 0.00 0.00 175.26 175.38 1ia1 s ILE 135 N 2.04 5.31 0.07 -1.63 1.01 -0.27 -2.14 121.20 125.60 1ia1 s ILE 135 Ca 0.11 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.19 1ia1 s ILE 135 Cb -0.17 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1ia1 s ILE 135 CO 0.12 0.53 -0.16 -1.61 0.00 0.00 0.00 174.94 173.82 1ia1 s GLU 136 N -1.28 0.93 0.01 2.79 2.02 0.20 -0.83 118.70 122.55 1ia1 s GLU 136 Ca 0.21 -0.97 -0.06 0.00 0.02 0.00 0.00 54.97 54.17 1ia1 s GLU 136 Cb -0.14 -1.01 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 1ia1 s GLU 136 CO 0.10 0.23 0.11 -1.58 0.02 0.00 0.00 175.26 174.15 1ia1 s HIS 137 N -1.16 0.08 0.43 1.61 2.46 -1.26 -1.40 115.29 116.06 1ia1 s HIS 137 Ca 0.01 -0.22 0.16 0.00 0.47 0.00 0.00 55.06 55.47 1ia1 s HIS 137 Cb -0.10 -0.07 1.01 0.00 -0.13 0.00 0.00 32.58 33.29 1ia1 s HIS 137 CO 0.03 -0.29 1.98 -1.00 -2.47 0.00 0.00 174.74 172.99 1ia1 h PRO 138 N 4.25 0.00 -2.28 2.88 0.13 -2.01 -3.32 132.00 131.64 1ia1 h PRO 138 Ca -0.31 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 1ia1 h PRO 138 Cb 1.19 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.93 1ia1 h PRO 138 CO 0.42 0.20 -0.95 0.45 -0.23 0.00 0.00 178.00 177.89 1ia1 n SER 139 N -4.21 0.56 -0.15 1.44 2.88 -1.26 -4.94 113.62 107.94 1ia1 n SER 139 Ca -0.02 -2.69 0.07 0.00 -1.33 0.00 0.00 58.87 54.90 1ia1 n SER 139 Cb 0.27 -0.62 0.38 0.00 -0.75 0.00 0.00 64.21 63.49 1ia1 n SER 139 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ia1 h PRO 140 N 4.84 0.67 -2.99 -1.46 0.13 -1.90 -2.83 132.00 128.45 1ia1 h PRO 140 Ca 0.17 -0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.53 1ia1 h PRO 140 Cb 0.86 -0.15 -0.10 0.00 0.13 0.00 0.00 31.00 31.73 1ia1 h PRO 140 CO 0.49 0.45 2.60 -0.85 -0.23 0.00 0.00 178.00 180.46 1ia1 n GLU 141 N -4.48 4.09 0.00 0.86 0.00 -1.26 -1.70 120.64 118.15 1ia1 n GLU 141 Ca 0.10 -3.22 0.00 0.00 0.00 0.00 0.00 57.16 54.04 1ia1 n GLU 141 Cb 0.23 -2.78 0.00 0.00 0.00 0.00 0.00 31.44 28.89 1ia1 n GLU 141 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ia1 n SER 142 N 2.85 0.00 -4.55 -1.84 3.41 -1.07 -5.07 113.62 107.35 1ia1 n SER 142 Ca 0.59 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 1ia1 n SER 142 Cb 0.28 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1ia1 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ia1 s ILE 143 N 0.00 5.11 0.02 -1.33 1.01 -0.69 -5.03 121.20 120.29 1ia1 s ILE 143 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 1ia1 s ILE 143 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1ia1 s ILE 143 CO 0.00 -0.14 1.28 -1.61 0.00 0.00 0.00 174.94 174.47 1ia1 s GLU 144 N 2.15 4.35 -0.04 2.79 0.41 -1.26 -5.00 118.70 122.10 1ia1 s GLU 144 Ca 0.14 1.84 -0.18 0.00 -0.41 0.00 0.00 54.97 56.36 1ia1 s GLU 144 Cb -0.16 -3.46 0.03 0.00 -1.78 0.00 0.00 34.13 28.77 1ia1 s GLU 144 CO 0.12 -0.42 0.39 0.00 -0.49 0.00 0.00 175.26 174.86 1ia1 s MET 145 N 1.76 0.71 0.00 1.61 0.23 -1.26 -4.69 119.30 117.67 1ia1 s MET 145 Ca 0.60 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.27 1ia1 s MET 145 Cb -0.30 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1ia1 s MET 145 CO 0.27 -0.19 0.27 -0.40 -2.03 0.00 0.00 175.02 172.93 1ia1 n ASP 146 N 1.44 0.53 -3.90 -1.18 3.85 -0.77 -4.99 116.55 111.53 1ia1 n ASP 146 Ca -0.20 -0.82 -0.21 0.00 -0.71 0.00 0.00 54.79 52.86 1ia1 n ASP 146 Cb 0.56 0.22 -0.16 0.00 -1.35 0.00 0.00 41.12 40.39 1ia1 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1ia1 s THR 147 N -0.22 0.62 0.06 2.12 2.01 -1.10 -5.01 115.64 114.11 1ia1 s THR 147 Ca 0.00 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1ia1 s THR 147 Cb 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1ia1 s THR 147 CO 0.00 0.25 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.75 1ia1 s PHE 148 N 0.95 0.70 0.33 4.92 0.40 -1.26 -1.21 117.98 122.81 1ia1 s PHE 148 Ca -0.10 -0.75 -0.26 0.00 -0.60 0.00 0.00 56.93 55.22 1ia1 s PHE 148 Cb -0.14 -0.43 -0.10 0.00 0.51 0.00 0.00 43.02 42.86 1ia1 s PHE 148 CO 0.00 -0.16 0.97 -0.51 0.70 0.00 0.00 175.22 176.22 1ia1 s LEU 149 N -2.35 4.33 -0.64 -0.37 1.43 -0.28 -4.93 118.68 115.87 1ia1 s LEU 149 Ca 0.01 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.06 1ia1 s LEU 149 Cb -0.01 -4.00 0.20 0.00 0.03 0.00 0.00 46.19 42.40 1ia1 s LEU 149 CO -0.03 -0.13 0.55 2.29 0.23 0.00 0.00 176.35 179.26 1ia1 n LYS 150 N 0.53 1.82 -4.22 1.70 2.85 -1.26 -4.90 118.16 114.69 1ia1 n LYS 150 Ca 0.02 -4.35 -0.35 0.00 -1.05 0.00 0.00 58.31 52.58 1ia1 n LYS 150 Cb 0.50 -2.17 -0.09 0.00 -0.65 0.00 0.00 35.03 32.62 1ia1 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ia1 s PHE 151 N -1.59 3.23 -1.37 5.58 0.08 -1.26 -4.88 117.98 117.77 1ia1 s PHE 151 Ca 0.30 0.16 -0.13 0.00 0.12 0.00 0.00 56.93 57.38 1ia1 s PHE 151 Cb 0.03 -1.90 0.09 0.00 -0.57 0.00 0.00 43.02 40.67 1ia1 s PHE 151 CO -0.13 0.38 1.99 -0.35 -0.10 0.00 0.00 175.22 177.01 1ia1 n PRO 152 N 2.61 3.17 0.22 0.24 -0.04 -1.26 -4.76 135.00 135.18 1ia1 n PRO 152 Ca -0.18 -3.07 0.15 0.00 -0.04 0.00 0.00 63.50 60.37 1ia1 n PRO 152 Cb 0.53 -3.19 0.77 0.00 -0.04 0.00 0.00 33.50 31.57 1ia1 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ia1 h LEU 153 N 9.73 0.00 -1.20 1.53 3.38 -1.95 -2.10 115.31 124.69 1ia1 h LEU 153 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ia1 h LEU 153 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ia1 h LEU 153 CO 1.70 0.00 0.00 1.05 0.09 0.00 0.00 178.44 181.28 1ia1 h GLU 154 N 0.00 0.00 -0.19 1.13 9.09 -2.04 -1.60 114.58 120.98 1ia1 h GLU 154 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ia1 h GLU 154 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1ia1 h GLU 154 CO 0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ia1 n SER 155 N -2.43 2.60 -4.39 3.06 7.64 -0.79 -4.95 113.62 114.36 1ia1 n SER 155 Ca 0.00 -1.85 -0.23 0.00 1.01 0.00 0.00 58.87 57.81 1ia1 n SER 155 Cb 0.17 -0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 1ia1 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ia1 s TRP 156 N -1.77 2.02 -0.10 1.43 0.52 -0.60 -1.35 118.94 119.09 1ia1 s TRP 156 Ca 0.34 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.07 1ia1 s TRP 156 Cb 0.20 -0.96 0.00 0.00 -1.15 0.00 0.00 33.47 31.57 1ia1 s TRP 156 CO 0.30 0.47 -0.23 0.99 0.02 0.00 0.00 176.95 178.50 1ia1 s THR 157 N -2.25 2.02 -0.09 2.01 2.01 0.20 -4.80 115.64 114.75 1ia1 s THR 157 Ca 0.22 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1ia1 s THR 157 Cb -0.05 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1ia1 s THR 157 CO 0.09 0.55 1.03 -0.75 -0.69 0.00 0.00 174.62 174.85 1ia1 s LYS 158 N 0.36 4.43 0.54 4.92 2.20 -1.26 -0.96 119.74 129.97 1ia1 s LYS 158 Ca -0.19 1.43 -0.07 0.00 -0.36 0.00 0.00 55.97 56.79 1ia1 s LYS 158 Cb -0.18 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1ia1 s LYS 158 CO 0.09 -0.30 0.87 -0.65 -0.36 0.00 0.00 175.35 174.99 1ia1 s GLN 159 N 1.91 3.41 0.81 4.03 -1.52 0.10 -4.99 119.66 123.41 1ia1 s GLN 159 Ca 0.50 0.28 -0.11 0.00 -1.95 0.00 0.00 55.36 54.08 1ia1 s GLN 159 Cb -0.19 -2.28 0.08 0.00 -0.22 0.00 0.00 33.01 30.39 1ia1 s GLN 159 CO 0.20 -0.40 1.12 -1.25 -0.25 0.00 0.00 175.29 174.70 1ia1 s PRO 160 N -4.90 1.89 0.47 2.91 0.04 -1.26 -4.60 135.00 129.54 1ia1 s PRO 160 Ca 0.51 1.33 0.18 0.00 0.04 0.00 0.00 61.00 63.05 1ia1 s PRO 160 Cb -0.10 -1.84 1.17 0.00 0.04 0.00 0.00 34.50 33.76 1ia1 s PRO 160 CO 0.47 -1.94 1.99 -0.22 0.04 0.00 0.00 177.00 177.34 1ia1 h LYS 161 N -1.26 0.24 -0.77 4.56 3.64 -1.97 -1.08 116.57 119.93 1ia1 h LYS 161 Ca -0.44 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1ia1 h LYS 161 Cb 1.25 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1ia1 h LYS 161 CO 0.48 0.16 0.51 0.66 -2.27 0.00 0.00 179.45 178.99 1ia1 h SER 162 N 0.25 0.77 0.02 4.20 4.64 -2.00 0.62 113.55 122.05 1ia1 h SER 162 Ca 0.26 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 1ia1 h SER 162 Cb 0.67 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ia1 h SER 162 CO -0.05 0.52 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.45 1ia1 h GLU 163 N 0.89 0.60 -0.10 4.77 4.39 -1.55 -2.40 114.58 121.18 1ia1 h GLU 163 Ca 0.32 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ia1 h GLU 163 Cb 0.14 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1ia1 h GLU 163 CO -0.10 1.05 0.06 1.25 -1.16 0.00 0.00 179.01 180.11 1ia1 h LEU 164 N 0.44 0.11 -0.65 1.33 5.85 -1.36 -1.54 115.31 119.49 1ia1 h LEU 164 Ca -0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1ia1 h LEU 164 Cb 1.22 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1ia1 h LEU 164 CO 0.12 0.09 0.34 -0.61 -0.34 0.00 0.00 178.44 178.05 1ia1 h GLN 165 N 0.13 0.61 -0.85 1.25 5.75 -0.83 0.31 115.11 121.48 1ia1 h GLN 165 Ca 0.04 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1ia1 h GLN 165 Cb -0.01 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1ia1 h GLN 165 CO -0.01 0.41 0.48 0.87 -2.65 0.00 0.00 178.83 177.93 1ia1 h LYS 166 N 0.63 1.18 -0.35 1.69 1.57 -1.32 0.41 116.57 120.38 1ia1 h LYS 166 Ca 0.30 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1ia1 h LYS 166 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1ia1 h LYS 166 CO -0.20 0.85 0.01 0.35 -0.57 0.00 0.00 179.45 179.89 1ia1 h PHE 167 N 1.19 0.68 0.00 -1.35 3.04 0.07 -3.12 116.94 117.44 1ia1 h PHE 167 Ca 0.30 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1ia1 h PHE 167 Cb 0.01 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1ia1 h PHE 167 CO 0.01 0.72 -0.28 -0.39 -2.02 0.00 0.00 178.31 176.35 1ia1 h VAL 168 N 0.44 0.00 0.00 1.41 -1.51 -1.06 -3.49 116.25 112.04 1ia1 h VAL 168 Ca 0.10 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1ia1 h VAL 168 Cb 0.44 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ia1 h VAL 168 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1ia1 n GLY 169 N 1.28 2.60 0.34 5.19 0.00 0.12 -3.69 105.19 111.04 1ia1 n GLY 169 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1ia1 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ia1 h ASP 170 N 0.00 0.91 -1.50 1.61 3.45 -1.93 -3.45 116.42 115.51 1ia1 h ASP 170 Ca 0.00 -0.06 -0.71 0.00 0.43 0.00 0.00 57.03 56.69 1ia1 h ASP 170 Cb 0.00 -0.23 0.05 0.00 -0.56 0.00 0.00 39.33 38.59 1ia1 h ASP 170 CO 0.00 0.71 0.38 0.41 -1.57 0.00 0.00 179.24 179.17 1ia1 n THR 171 N -4.37 0.01 -2.47 0.35 -1.04 -1.24 -4.93 114.28 100.59 1ia1 n THR 171 Ca 0.08 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 1ia1 n THR 171 Cb 0.08 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 1ia1 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ia1 s VAL 172 N 0.51 4.14 -0.37 12.58 1.01 -1.26 -5.00 120.40 132.00 1ia1 s VAL 172 Ca 0.87 1.56 0.04 0.00 0.00 0.00 0.00 61.98 64.45 1ia1 s VAL 172 Cb -1.04 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 31.44 1ia1 s VAL 172 CO 0.50 0.14 0.09 -0.76 0.00 0.00 0.00 175.10 175.08 1ia1 s LEU 173 N 0.90 4.47 0.41 3.92 1.43 -1.26 -5.07 118.68 123.48 1ia1 s LEU 173 Ca 0.57 -2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 51.21 1ia1 s LEU 173 Cb -0.28 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1ia1 s LEU 173 CO 0.30 -0.35 0.88 -1.61 0.23 0.00 0.00 176.35 175.79 1ia1 s GLU 174 N 0.73 4.07 0.01 1.70 2.02 -1.26 -5.08 118.70 120.89 1ia1 s GLU 174 Ca 0.12 0.91 -0.01 0.00 0.02 0.00 0.00 54.97 56.01 1ia1 s GLU 174 Cb -0.20 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1ia1 s GLU 174 CO -0.08 -0.02 0.13 -0.51 0.02 0.00 0.00 175.26 174.80 1ia1 s ASP 175 N -2.46 5.98 -1.38 -0.19 1.01 -1.26 -4.68 116.67 113.69 1ia1 s ASP 175 Ca 0.58 0.22 -0.04 0.00 0.71 0.00 0.00 52.55 54.02 1ia1 s ASP 175 Cb -0.10 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1ia1 s ASP 175 CO 0.19 0.25 0.44 0.47 0.21 0.00 0.00 175.17 176.73 1ia1 n ASP 176 N 0.95 -0.91 -4.71 0.27 10.43 -1.21 -4.88 116.55 116.50 1ia1 n ASP 176 Ca -0.11 -1.04 -0.42 0.00 2.57 0.00 0.00 54.79 55.79 1ia1 n ASP 176 Cb 0.52 -2.95 -0.03 0.00 1.84 0.00 0.00 41.12 40.51 1ia1 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ia1 s ILE 177 N -3.92 3.06 -0.08 0.53 1.01 -0.59 -4.72 121.20 116.49 1ia1 s ILE 177 Ca 0.07 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1ia1 s ILE 177 Cb -0.03 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1ia1 s ILE 177 CO 0.90 0.03 -0.18 -0.75 0.00 0.00 0.00 174.94 174.94 1ia1 s LYS 178 N 1.62 2.84 -0.25 2.79 2.47 -1.26 -0.10 119.74 127.85 1ia1 s LYS 178 Ca 0.68 -0.78 -0.03 0.00 -1.56 0.00 0.00 55.97 54.29 1ia1 s LYS 178 Cb -0.39 -2.38 0.11 0.00 -1.46 0.00 0.00 37.83 33.71 1ia1 s LYS 178 CO 0.31 0.38 0.24 -1.21 0.16 0.00 0.00 175.35 175.23 1ia1 s GLU 179 N -0.12 0.24 6.52 4.03 2.02 -0.34 -5.02 118.70 126.03 1ia1 s GLU 179 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.96 1ia1 s GLU 179 Cb -0.14 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.11 1ia1 s GLU 179 CO 0.04 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1ia1 n GLY 180 N 5.31 1.92 0.19 -1.39 0.00 -1.26 -1.86 105.19 108.10 1ia1 n GLY 180 Ca -0.04 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.65 1ia1 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ia1 n ASP 181 N 5.08 0.91 -4.79 1.61 10.43 -1.26 -4.90 116.55 123.64 1ia1 n ASP 181 Ca 0.00 -0.75 -0.39 0.00 2.57 0.00 0.00 54.79 56.22 1ia1 n ASP 181 Cb 0.00 0.17 -0.06 0.00 1.84 0.00 0.00 41.12 43.07 1ia1 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ia1 s PHE 182 N -2.62 3.86 -0.08 1.24 0.08 -0.78 -4.36 117.98 115.31 1ia1 s PHE 182 Ca 0.21 1.45 0.04 0.00 0.12 0.00 0.00 56.93 58.75 1ia1 s PHE 182 Cb 0.19 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1ia1 s PHE 182 CO 0.56 0.55 -0.20 0.99 -0.10 0.00 0.00 175.22 177.02 1ia1 s THR 183 N -1.14 1.74 0.09 0.64 2.01 -0.49 -1.20 115.64 117.29 1ia1 s THR 183 Ca 0.32 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1ia1 s THR 183 Cb -0.21 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1ia1 s THR 183 CO 0.23 0.49 0.03 -0.72 -0.69 0.00 0.00 174.62 173.96 1ia1 s TYR 184 N 0.37 0.62 -0.02 4.92 1.13 0.86 0.62 117.35 125.85 1ia1 s TYR 184 Ca -0.15 -1.08 -0.07 0.00 -1.41 0.00 0.00 57.07 54.35 1ia1 s TYR 184 Cb -0.17 -0.39 0.01 0.00 -1.10 0.00 0.00 41.96 40.32 1ia1 s TYR 184 CO 0.07 -0.46 0.15 -0.80 -2.51 0.00 0.00 175.55 172.00 1ia1 s ASN 185 N -2.97 -0.04 0.13 -0.18 -0.87 -0.91 -1.55 114.94 108.56 1ia1 s ASN 185 Ca 0.14 -0.04 -0.20 0.00 -1.57 0.00 0.00 52.86 51.19 1ia1 s ASN 185 Cb 0.07 0.25 -0.07 0.00 -0.02 0.00 0.00 41.25 41.48 1ia1 s ASN 185 CO -0.05 -0.27 0.64 -0.31 -2.57 0.00 0.00 177.10 174.54 1ia1 s TYR 186 N -0.93 3.78 0.05 2.20 2.02 -1.26 -0.45 117.35 122.75 1ia1 s TYR 186 Ca -0.10 1.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 1ia1 s TYR 186 Cb -0.06 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 1ia1 s TYR 186 CO 0.01 0.50 -0.03 0.95 -1.57 0.00 0.00 175.55 175.41 1ia1 s THR 187 N -1.24 0.25 0.00 -0.71 -4.23 -0.64 -4.94 115.64 104.13 1ia1 s THR 187 Ca 0.34 -1.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1ia1 s THR 187 Cb -0.19 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 1ia1 s THR 187 CO 0.21 -0.88 -0.20 -0.22 -0.54 0.00 0.00 174.62 172.99 1ia1 s LEU 188 N -2.63 2.07 0.03 4.79 2.96 -1.26 -2.08 118.68 122.56 1ia1 s LEU 188 Ca 0.03 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1ia1 s LEU 188 Cb 0.04 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1ia1 s LEU 188 CO -0.08 0.22 -0.09 0.26 -1.32 0.00 0.00 176.35 175.34 1ia1 s TRP 189 N -0.56 0.82 0.24 5.38 0.52 0.26 -0.72 118.94 124.87 1ia1 s TRP 189 Ca 0.07 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.87 1ia1 s TRP 189 Cb -0.08 -0.49 -0.05 0.00 -1.15 0.00 0.00 33.47 31.70 1ia1 s TRP 189 CO -0.00 -0.02 0.03 0.95 0.02 0.00 0.00 176.95 177.93 1ia1 s THR 190 N -0.92 0.86 0.35 2.01 -4.23 -0.13 -1.35 115.64 112.24 1ia1 s THR 190 Ca -0.03 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.21 1ia1 s THR 190 Cb -0.07 -2.43 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 1ia1 s THR 190 CO 0.01 -0.23 1.04 -0.13 -0.54 0.00 0.00 174.62 174.76 1ia1 s ARG 191 N -3.92 4.37 0.00 3.99 0.52 -1.26 0.62 118.95 123.28 1ia1 s ARG 191 Ca 0.31 1.54 0.19 0.00 -0.52 0.00 0.00 55.73 57.25 1ia1 s ARG 191 Cb 0.07 -2.75 1.14 0.00 0.52 0.00 0.00 34.95 33.92 1ia1 s ARG 191 CO 0.10 0.04 1.53 0.36 0.02 0.00 0.00 175.30 177.35