#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i33 n PRO 2 N 0.00 1.07 -2.35 0.00 -0.02 -1.26 -4.88 135.00 127.56 1i33 n PRO 2 Ca 0.00 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1i33 n PRO 2 Cb 0.00 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1i33 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i33 s ILE 3 N -0.23 4.05 -0.57 4.25 1.01 -0.39 -4.70 121.20 124.61 1i33 s ILE 3 Ca 0.73 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 62.49 1i33 s ILE 3 Cb -0.87 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 37.76 1i33 s ILE 3 CO 0.53 -0.03 1.06 -0.54 0.00 0.00 0.00 174.94 175.96 1i33 s LYS 4 N 2.63 3.40 0.22 2.79 -0.14 -1.26 0.05 119.74 127.43 1i33 s LYS 4 Ca 0.59 -0.05 0.11 0.00 -1.36 0.00 0.00 55.97 55.27 1i33 s LYS 4 Cb -0.27 -4.04 -0.05 0.00 -1.68 0.00 0.00 37.83 31.79 1i33 s LYS 4 CO 0.22 -1.60 -0.22 0.14 -0.76 0.00 0.00 175.35 173.14 1i33 s VAL 5 N 4.45 2.30 0.01 3.17 -7.23 -0.67 -0.68 120.40 121.74 1i33 s VAL 5 Ca 0.36 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1i33 s VAL 5 Cb -0.10 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1i33 s VAL 5 CO 0.22 -0.24 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.84 1i33 s GLY 6 N -2.95 0.49 -0.23 2.32 0.00 -0.36 -1.25 107.32 105.34 1i33 s GLY 6 Ca 0.23 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 1i33 s GLY 6 CO 0.11 -0.44 0.04 -0.42 0.00 0.00 0.00 173.10 172.39 1i33 s ILE 7 N -0.42 4.11 -0.44 0.90 -1.09 -0.76 -1.13 121.20 122.37 1i33 s ILE 7 Ca 0.02 -0.25 -0.15 0.00 -2.23 0.00 0.00 60.65 58.04 1i33 s ILE 7 Cb -0.05 -2.90 0.05 0.00 -1.58 0.00 0.00 42.46 37.98 1i33 s ILE 7 CO -0.00 0.37 0.35 0.21 -1.23 0.00 0.00 174.94 174.64 1i33 s ASN 8 N 1.43 6.13 0.00 3.58 2.47 -0.82 -0.01 114.94 127.72 1i33 s ASN 8 Ca 0.05 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.21 1i33 s ASN 8 Cb -0.15 -2.17 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1i33 s ASN 8 CO 0.02 -0.55 0.00 0.61 -3.72 0.00 0.00 177.10 173.46 1i33 n GLY 9 N 5.18 0.17 2.81 1.21 0.00 0.41 -2.04 105.19 112.94 1i33 n GLY 9 Ca -0.12 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1i33 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1i33 n PHE 10 N 1.61 2.75 -2.12 1.61 7.35 -1.23 -3.92 117.46 123.52 1i33 n PHE 10 Ca 0.00 -2.94 0.00 0.00 -0.76 0.00 0.00 57.45 53.75 1i33 n PHE 10 Cb 0.00 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 38.77 1i33 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i33 n GLY 11 N 0.73 4.68 0.26 7.13 0.00 -1.26 -4.59 105.19 112.14 1i33 n GLY 11 Ca 0.33 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 1i33 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1i33 h ARG 12 N 0.00 -0.18 0.09 1.61 2.47 -1.95 0.29 114.38 116.71 1i33 h ARG 12 Ca 0.00 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1i33 h ARG 12 Cb 0.00 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 1i33 h ARG 12 CO 0.00 -0.12 -0.26 0.82 0.56 0.00 0.00 179.97 180.97 1i33 h ILE 13 N -0.18 0.42 -0.22 2.04 1.08 -1.93 -0.40 117.51 118.32 1i33 h ILE 13 Ca 0.05 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 1i33 h ILE 13 Cb 0.32 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 1i33 h ILE 13 CO -0.39 0.00 -0.25 1.23 -0.69 0.00 0.00 178.15 178.05 1i33 h GLY 14 N -0.45 -1.59 0.35 5.37 0.00 -1.49 -1.90 103.07 103.35 1i33 h GLY 14 Ca 0.04 0.82 0.05 0.00 0.00 0.00 0.00 47.33 48.24 1i33 h GLY 14 CO -0.17 -0.48 -0.19 3.21 0.00 0.00 0.00 176.54 178.91 1i33 h ARG 15 N -0.15 -0.22 -0.66 4.80 3.08 -0.29 -2.31 114.38 118.62 1i33 h ARG 15 Ca 0.04 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1i33 h ARG 15 Cb 0.25 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 1i33 h ARG 15 CO -0.29 -0.15 -0.06 0.52 -1.07 0.00 0.00 179.97 178.93 1i33 h MET 16 N -0.23 0.07 0.11 0.04 2.86 -0.80 0.69 114.93 117.66 1i33 h MET 16 Ca 0.11 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1i33 h MET 16 Cb 0.39 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1i33 h MET 16 CO -0.29 0.04 -0.19 0.28 1.06 0.00 0.00 176.91 177.81 1i33 h VAL 17 N 0.07 0.57 -0.25 -2.22 2.07 -0.92 0.23 116.25 115.81 1i33 h VAL 17 Ca 0.34 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.90 1i33 h VAL 17 Cb 0.56 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1i33 h VAL 17 CO -0.61 0.00 -0.00 0.15 0.02 0.00 0.00 177.57 177.13 1i33 h PHE 18 N -0.37 -0.01 -0.86 1.57 3.57 -0.46 -1.14 116.94 119.24 1i33 h PHE 18 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1i33 h PHE 18 Cb 0.38 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1i33 h PHE 18 CO -0.18 -0.04 0.56 1.96 -2.23 0.00 0.00 178.31 178.38 1i33 h GLN 19 N 0.08 0.95 -0.19 1.11 4.20 0.58 0.90 115.11 122.74 1i33 h GLN 19 Ca 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1i33 h GLN 19 Cb 0.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1i33 h GLN 19 CO -0.20 0.63 0.02 0.00 -0.67 0.00 0.00 178.83 178.62 1i33 h ALA 20 N 1.53 1.70 -0.04 3.87 0.00 0.63 0.47 119.26 127.42 1i33 h ALA 20 Ca 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1i33 h ALA 20 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i33 h ALA 20 CO -0.13 0.23 -0.01 0.82 0.00 0.00 0.00 179.25 180.16 1i33 h ILE 21 N 0.26 1.30 -0.34 0.00 2.04 0.14 -2.58 117.51 118.33 1i33 h ILE 21 Ca 0.06 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1i33 h ILE 21 Cb 0.14 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1i33 h ILE 21 CO -0.00 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.54 1i33 h ASP 23 N 0.40 0.08 0.31 0.00 3.58 -0.09 0.42 116.42 121.12 1i33 h ASP 23 Ca 0.11 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1i33 h ASP 23 Cb 0.16 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1i33 h ASP 23 CO -0.01 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 1i33 n GLN 24 N -5.07 0.21 -2.95 0.28 6.02 -0.97 -4.87 117.38 110.03 1i33 n GLN 24 Ca 0.06 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 1i33 n GLN 24 Cb 0.25 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.05 1i33 n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i33 n GLY 25 N 0.05 0.10 0.00 1.08 0.00 0.15 -4.93 105.19 101.64 1i33 n GLY 25 Ca 0.07 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.97 1i33 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i33 n LEU 26 N -2.73 0.51 -4.67 0.99 4.32 -0.87 -4.83 117.00 109.72 1i33 n LEU 26 Ca -0.02 -0.31 -0.46 0.00 -0.02 0.00 0.00 56.01 55.21 1i33 n LEU 26 Cb 0.54 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 1i33 n LEU 26 CO 0.32 0.13 1.09 0.00 -1.22 0.00 0.00 177.39 177.71 1i33 n ILE 27 N -1.69 0.47 0.00 -0.08 0.13 -1.25 -1.08 119.36 115.87 1i33 n ILE 27 Ca 0.01 -0.12 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 1i33 n ILE 27 Cb 0.35 -1.47 0.00 0.00 -0.84 0.00 0.00 39.64 37.68 1i33 n ILE 27 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1i33 n GLY 28 N 2.75 1.60 0.00 4.50 0.00 -0.06 -4.65 105.19 109.33 1i33 n GLY 28 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1i33 n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i33 n THR 29 N 0.00 0.00 -0.03 2.61 -2.24 -1.12 -4.64 114.28 108.85 1i33 n THR 29 Ca 0.00 0.52 -0.15 0.00 -2.27 0.00 0.00 64.05 62.15 1i33 n THR 29 Cb 0.00 -1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 67.02 1i33 n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1i33 h GLU 30 N 0.00 0.11 -5.59 -0.78 4.39 -1.61 -3.38 114.58 107.72 1i33 h GLU 30 Ca 0.00 -0.12 -0.68 0.00 0.34 0.00 0.00 59.36 58.90 1i33 h GLU 30 Cb 0.00 0.04 -0.30 0.00 -0.10 0.00 0.00 28.75 28.38 1i33 h GLU 30 CO 0.00 0.89 -0.84 0.42 -1.16 0.00 0.00 179.01 178.31 1i33 s ILE 31 N -3.05 2.38 -0.56 3.13 1.01 -0.24 -1.26 121.20 122.61 1i33 s ILE 31 Ca -0.17 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 1i33 s ILE 31 Cb 0.00 -1.92 0.15 0.00 0.01 0.00 0.00 42.46 40.69 1i33 s ILE 31 CO 0.72 0.56 0.42 -0.62 0.00 0.00 0.00 174.94 176.01 1i33 s ASP 32 N 0.13 5.65 -0.60 3.58 -1.08 0.11 -0.88 116.67 123.58 1i33 s ASP 32 Ca -0.11 -2.33 -0.28 0.00 -0.52 0.00 0.00 52.55 49.32 1i33 s ASP 32 Cb -0.16 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.35 1i33 s ASP 32 CO 0.06 -0.56 1.44 -0.69 0.52 0.00 0.00 175.17 175.94 1i33 s VAL 33 N 0.72 3.73 0.13 1.11 1.01 -1.26 -1.67 120.40 124.15 1i33 s VAL 33 Ca 0.11 0.57 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1i33 s VAL 33 Cb -0.22 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 1i33 s VAL 33 CO -0.03 -1.26 1.46 0.58 0.00 0.00 0.00 175.10 175.85 1i33 h VAL 34 N 6.37 1.28 -1.95 2.92 2.07 -1.49 -3.42 116.25 122.03 1i33 h VAL 34 Ca -0.27 -1.48 0.20 0.00 0.82 0.00 0.00 66.70 65.97 1i33 h VAL 34 Cb 1.09 1.43 -0.13 0.00 -1.52 0.00 0.00 31.29 32.16 1i33 h VAL 34 CO 1.20 0.49 0.63 0.00 0.02 0.00 0.00 177.57 179.91 1i33 s ALA 35 N -4.43 -1.92 0.19 1.67 0.00 -1.26 -1.65 121.76 114.36 1i33 s ALA 35 Ca -0.12 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.79 1i33 s ALA 35 Cb 0.10 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1i33 s ALA 35 CO 0.86 -0.84 -0.22 0.14 0.00 0.00 0.00 175.76 175.70 1i33 s VAL 36 N -2.87 2.21 -0.08 0.00 -7.23 0.75 -1.82 120.40 111.36 1i33 s VAL 36 Ca 0.10 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1i33 s VAL 36 Cb 0.00 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1i33 s VAL 36 CO -0.04 -0.18 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.78 1i33 s VAL 37 N -1.79 1.09 0.34 1.32 1.01 0.98 0.20 120.40 123.55 1i33 s VAL 37 Ca 0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1i33 s VAL 37 Cb -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1i33 s VAL 37 CO 0.09 0.36 0.59 -0.62 0.00 0.00 0.00 175.10 175.51 1i33 s ASP 38 N 1.00 0.41 0.13 3.32 -1.08 -1.05 0.15 116.67 119.56 1i33 s ASP 38 Ca -0.08 -1.25 0.19 0.00 -0.52 0.00 0.00 52.55 50.89 1i33 s ASP 38 Cb -0.15 0.71 0.80 0.00 -1.46 0.00 0.00 42.92 42.83 1i33 s ASP 38 CO -0.00 -1.40 1.59 0.23 0.52 0.00 0.00 175.17 176.10 1i33 n MET 39 N -0.52 0.10 -4.28 4.34 2.81 -1.26 -0.58 117.12 117.72 1i33 n MET 39 Ca -0.03 0.34 -0.20 0.00 -1.81 0.00 0.00 57.70 56.00 1i33 n MET 39 Cb 0.61 -1.69 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 1i33 n MET 39 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i33 s SER 40 N -3.63 1.88 -0.15 7.83 0.15 -1.26 -4.81 113.70 113.71 1i33 s SER 40 Ca 0.06 -0.57 0.16 0.00 0.70 0.00 0.00 55.95 56.30 1i33 s SER 40 Cb 0.09 -0.09 0.33 0.00 -1.71 0.00 0.00 66.02 64.64 1i33 s SER 40 CO 0.33 -0.00 1.17 0.35 1.20 0.00 0.00 173.24 176.29 1i33 n THR 41 N 1.48 1.95 -2.36 6.45 -2.24 -1.26 -4.87 114.28 113.43 1i33 n THR 41 Ca -0.20 -2.53 -0.36 0.00 -2.27 0.00 0.00 64.05 58.69 1i33 n THR 41 Cb 0.54 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1i33 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1i33 s ASN 42 N -2.96 5.94 0.47 3.42 3.84 -1.26 -4.10 114.94 120.30 1i33 s ASN 42 Ca 0.33 -1.00 0.13 0.00 0.21 0.00 0.00 52.86 52.53 1i33 s ASN 42 Cb 0.30 -2.56 1.10 0.00 -0.55 0.00 0.00 41.25 39.54 1i33 s ASN 42 CO -0.00 -2.01 2.10 0.00 -2.79 0.00 0.00 177.10 174.40 1i33 h ALA 43 N 10.62 1.91 -0.42 1.71 0.00 -1.78 -2.27 119.26 129.03 1i33 h ALA 43 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i33 h ALA 43 Cb 1.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1i33 h ALA 43 CO 1.33 0.06 0.18 0.93 0.00 0.00 0.00 179.25 181.75 1i33 h GLU 44 N 0.24 0.62 -0.61 0.00 5.08 -1.88 0.27 114.58 118.30 1i33 h GLU 44 Ca 0.09 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1i33 h GLU 44 Cb 0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1i33 h GLU 44 CO -0.02 0.56 0.13 -0.92 -1.00 0.00 0.00 179.01 177.76 1i33 h TYR 45 N 0.53 1.03 -0.74 4.33 3.20 -1.82 0.01 116.97 123.52 1i33 h TYR 45 Ca 0.14 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1i33 h TYR 45 Cb 0.17 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1i33 h TYR 45 CO -0.00 0.88 0.24 0.74 -1.64 0.00 0.00 178.16 178.37 1i33 h PHE 46 N 0.89 1.20 -0.24 -3.82 0.04 -1.12 0.03 116.94 113.91 1i33 h PHE 46 Ca 0.19 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1i33 h PHE 46 Cb 0.38 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1i33 h PHE 46 CO 0.03 0.94 0.07 0.00 -0.60 0.00 0.00 178.31 178.75 1i33 h ALA 47 N 1.12 0.27 -0.09 2.45 0.00 -0.08 -0.08 119.26 122.85 1i33 h ALA 47 Ca 0.24 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1i33 h ALA 47 Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1i33 h ALA 47 CO -0.01 -0.34 -0.11 -0.92 0.00 0.00 0.00 179.25 177.87 1i33 h TYR 48 N 0.18 -0.26 -0.42 0.00 3.20 -0.58 -0.85 116.97 118.24 1i33 h TYR 48 Ca 0.11 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1i33 h TYR 48 Cb 0.09 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1i33 h TYR 48 CO -0.13 -0.16 0.29 1.96 -1.64 0.00 0.00 178.16 178.47 1i33 h GLN 49 N -0.14 0.26 0.00 1.82 4.20 -0.51 -1.71 115.11 119.03 1i33 h GLN 49 Ca 0.07 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 1i33 h GLN 49 Cb 0.24 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1i33 h GLN 49 CO -0.17 0.17 -0.91 0.52 -0.67 0.00 0.00 178.83 177.77 1i33 h MET 50 N 0.26 0.00 0.00 1.46 2.86 -0.27 -3.31 114.93 115.93 1i33 h MET 50 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1i33 h MET 50 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1i33 h MET 50 CO -0.04 0.30 -0.29 0.87 1.06 0.00 0.00 176.91 178.81 1i33 h LYS 51 N 0.00 0.00 -3.35 1.72 1.57 -0.30 -3.41 116.57 112.80 1i33 h LYS 51 Ca -0.07 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.23 1i33 h LYS 51 Cb 1.38 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.29 1i33 h LYS 51 CO 0.04 0.00 -0.76 -1.01 -0.57 0.00 0.00 179.45 177.15 1i33 s HIS 52 N -3.15 0.62 -0.17 -1.35 3.76 -0.88 -4.49 115.29 109.64 1i33 s HIS 52 Ca 0.08 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1i33 s HIS 52 Cb 0.12 -0.85 0.04 0.00 1.11 0.00 0.00 32.58 33.01 1i33 s HIS 52 CO 0.66 -0.53 -0.04 0.34 -0.85 0.00 0.00 174.74 174.32 1i33 s ASP 53 N 1.99 2.84 0.19 1.40 3.68 -1.21 -4.76 116.67 120.80 1i33 s ASP 53 Ca 0.01 -0.68 -0.21 0.00 2.13 0.00 0.00 52.55 53.81 1i33 s ASP 53 Cb -0.16 -0.88 0.13 0.00 -1.45 0.00 0.00 42.92 40.56 1i33 s ASP 53 CO -0.08 -0.20 1.58 0.74 0.13 0.00 0.00 175.17 177.34 1i33 h THR 54 N 6.40 0.14 0.12 1.71 2.02 -1.97 0.48 112.91 121.81 1i33 h THR 54 Ca -0.23 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.64 1i33 h THR 54 Cb 1.11 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1i33 h THR 54 CO 0.39 0.00 -1.56 0.58 0.37 0.00 0.00 175.52 175.30 1i33 h VAL 55 N -0.14 1.12 -0.34 3.16 2.07 -1.96 -3.37 116.25 116.79 1i33 h VAL 55 Ca 0.25 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1i33 h VAL 55 Cb 0.56 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1i33 h VAL 55 CO -0.73 0.81 0.00 1.41 0.02 0.00 0.00 177.57 179.08 1i33 n HIS 56 N -3.45 0.44 -4.79 1.57 8.25 -1.11 -4.94 115.22 111.19 1i33 n HIS 56 Ca -0.17 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1i33 n HIS 56 Cb 1.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 1i33 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i33 n GLY 57 N 1.24 0.30 3.79 -1.41 0.00 0.17 -4.80 105.19 104.48 1i33 n GLY 57 Ca 0.17 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1i33 n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i33 s ARG 58 N 0.00 4.23 0.63 1.61 6.06 -1.26 -3.29 118.95 126.93 1i33 s ARG 58 Ca 0.00 1.34 -0.12 0.00 -2.50 0.00 0.00 55.73 54.44 1i33 s ARG 58 Cb 0.00 -2.43 -0.03 0.00 0.06 0.00 0.00 34.95 32.55 1i33 s ARG 58 CO 0.00 -0.06 1.04 -1.25 -2.50 0.00 0.00 175.30 172.53 1i33 s PRO 59 N -2.69 3.36 -0.01 5.12 0.04 -1.26 -4.98 135.00 134.58 1i33 s PRO 59 Ca 0.59 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.63 1i33 s PRO 59 Cb -0.17 -2.05 0.26 0.00 0.04 0.00 0.00 34.50 32.59 1i33 s PRO 59 CO 0.21 -0.76 1.20 1.63 0.04 0.00 0.00 177.00 179.33 1i33 n LYS 60 N -2.65 1.72 -4.45 4.56 4.76 -1.26 -4.87 118.16 115.97 1i33 n LYS 60 Ca 0.07 -1.06 -0.23 0.00 -2.87 0.00 0.00 58.31 54.22 1i33 n LYS 60 Cb 0.54 -1.26 -0.09 0.00 -1.84 0.00 0.00 35.03 32.38 1i33 n LYS 60 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1i33 s TYR 61 N -1.62 1.77 -0.01 2.13 -0.85 -1.26 -5.09 117.35 112.41 1i33 s TYR 61 Ca 0.20 -1.25 -0.01 0.00 -0.52 0.00 0.00 57.07 55.48 1i33 s TYR 61 Cb 0.10 -1.09 -0.04 0.00 0.38 0.00 0.00 41.96 41.31 1i33 s TYR 61 CO 0.13 -0.31 0.10 0.95 -1.52 0.00 0.00 175.55 174.90 1i33 s THR 62 N -3.34 4.89 -0.08 -3.49 -4.23 -1.26 -5.03 115.64 103.10 1i33 s THR 62 Ca 0.30 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1i33 s THR 62 Cb 0.04 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1i33 s THR 62 CO 0.16 0.37 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.81 1i33 s VAL 63 N -1.20 1.04 0.02 2.29 1.01 -1.26 -3.23 120.40 119.06 1i33 s VAL 63 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1i33 s VAL 63 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1i33 s VAL 63 CO 0.14 0.34 -0.04 -0.70 0.00 0.00 0.00 175.10 174.84 1i33 s GLU 64 N 0.99 0.34 -0.13 2.72 2.12 -0.82 -5.00 118.70 118.93 1i33 s GLU 64 Ca -0.09 -0.48 -0.06 0.00 0.36 0.00 0.00 54.97 54.70 1i33 s GLU 64 Cb -0.15 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 1i33 s GLU 64 CO -0.00 0.02 0.10 0.00 -0.54 0.00 0.00 175.26 174.83 1i33 s ALA 65 N -0.97 3.66 0.30 6.30 0.00 -1.26 -0.69 121.76 129.10 1i33 s ALA 65 Ca -0.08 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1i33 s ALA 65 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1i33 s ALA 65 CO -0.00 0.50 0.19 0.14 0.00 0.00 0.00 175.76 176.59 1i33 s VAL 66 N -0.64 0.17 -0.10 0.00 -7.23 0.09 -4.97 120.40 107.72 1i33 s VAL 66 Ca 0.12 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1i33 s VAL 66 Cb -0.12 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1i33 s VAL 66 CO 0.02 0.00 0.01 -0.54 -0.31 0.00 0.00 175.10 174.28 1i33 s LYS 67 N -3.75 3.16 0.40 4.82 1.02 -1.26 -1.66 119.74 122.47 1i33 s LYS 67 Ca 0.37 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.05 1i33 s LYS 67 Cb 0.04 -2.86 0.85 0.00 -0.52 0.00 0.00 37.83 35.34 1i33 s LYS 67 CO 0.20 0.62 1.99 0.66 -0.92 0.00 0.00 175.35 177.90 1i33 h SER 68 N 5.43 0.32 -3.73 2.83 4.64 -1.93 -3.43 113.55 117.69 1i33 h SER 68 Ca -0.48 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 60.66 1i33 h SER 68 Cb 1.19 -0.08 -0.25 0.00 -0.31 0.00 0.00 62.40 62.95 1i33 h SER 68 CO 0.57 0.34 -0.33 -0.44 -0.87 0.00 0.00 176.83 176.10 1i33 s SER 69 N -6.82 -0.37 0.12 4.97 0.01 -1.26 -5.03 113.70 105.33 1i33 s SER 69 Ca -0.07 0.69 0.05 0.00 1.31 0.00 0.00 55.95 57.93 1i33 s SER 69 Cb 0.16 0.67 0.25 0.00 0.21 0.00 0.00 66.02 67.31 1i33 s SER 69 CO 0.73 -0.13 0.95 -0.81 0.41 0.00 0.00 173.24 174.39 1i33 n PRO 70 N 3.20 0.03 0.08 12.44 -0.04 -1.26 -1.33 135.00 148.12 1i33 n PRO 70 Ca -0.15 0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 1i33 n PRO 70 Cb 0.57 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 1i33 n PRO 70 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1i33 h SER 71 N 0.00 0.72 -3.44 3.54 0.02 -1.97 -3.46 113.55 108.96 1i33 h SER 71 Ca 0.00 -0.63 -0.56 0.00 -0.84 0.00 0.00 61.79 59.75 1i33 h SER 71 Cb 0.55 -0.22 0.12 0.00 0.14 0.00 0.00 62.40 62.98 1i33 h SER 71 CO 0.00 1.45 0.52 1.33 -1.14 0.00 0.00 176.83 178.98 1i33 n VAL 72 N -3.75 2.20 -0.04 2.27 0.24 -0.44 -4.94 118.33 113.87 1i33 n VAL 72 Ca -0.10 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.56 1i33 n VAL 72 Cb 0.93 -1.60 -0.08 0.00 -1.47 0.00 0.00 33.84 31.62 1i33 n VAL 72 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1i33 h GLU 73 N 2.40 0.31 -5.88 7.34 9.09 -1.90 -3.45 114.58 122.50 1i33 h GLU 73 Ca -0.47 -0.21 -0.60 0.00 0.05 0.00 0.00 59.36 58.13 1i33 h GLU 73 Cb 1.28 0.03 -0.30 0.00 -1.65 0.00 0.00 28.75 28.11 1i33 h GLU 73 CO 0.62 0.81 -0.85 0.95 0.05 0.00 0.00 179.01 180.58 1i33 s THR 74 N -3.94 1.60 0.42 -1.06 -4.23 -1.26 -5.11 115.64 102.06 1i33 s THR 74 Ca -0.14 -0.86 -0.21 0.00 -1.18 0.00 0.00 61.69 59.30 1i33 s THR 74 Cb 0.04 -1.34 -0.15 0.00 1.34 0.00 0.00 72.50 72.40 1i33 s THR 74 CO 0.76 0.45 0.22 0.00 -0.54 0.00 0.00 174.62 175.51 1i33 n ALA 75 N 2.68 -2.53 -1.12 3.99 0.00 -1.26 -4.87 120.51 117.40 1i33 n ALA 75 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1i33 n ALA 75 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1i33 n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1i33 n ASP 76 N 1.98 0.00 -4.01 0.00 5.75 -0.77 -2.33 116.55 117.17 1i33 n ASP 76 Ca 0.11 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.69 1i33 n ASP 76 Cb 0.40 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.34 1i33 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1i33 s VAL 77 N 0.00 0.82 -0.16 2.12 1.01 -0.67 -1.89 120.40 121.64 1i33 s VAL 77 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1i33 s VAL 77 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1i33 s VAL 77 CO 0.00 0.25 0.09 -0.22 0.00 0.00 0.00 175.10 175.22 1i33 s LEU 78 N 0.15 4.01 -0.24 3.92 2.96 0.95 -0.73 118.68 129.70 1i33 s LEU 78 Ca -0.03 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1i33 s LEU 78 Cb -0.08 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.67 1i33 s LEU 78 CO 0.00 0.26 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1i33 s VAL 79 N -0.16 1.80 -0.15 1.68 1.01 0.14 0.97 120.40 125.68 1i33 s VAL 79 Ca 0.08 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1i33 s VAL 79 Cb -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1i33 s VAL 79 CO 0.01 -0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.20 1i33 s VAL 80 N 1.28 2.43 -1.67 2.92 1.01 -0.40 -1.94 120.40 124.03 1i33 s VAL 80 Ca -0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1i33 s VAL 80 Cb -0.19 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.31 1i33 s VAL 80 CO -0.06 0.53 0.56 0.59 0.00 0.00 0.00 175.10 176.72 1i33 n ASN 81 N 4.10 -1.81 0.00 3.32 3.02 -1.20 -0.17 115.26 122.52 1i33 n ASN 81 Ca -0.19 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1i33 n ASN 81 Cb 0.52 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 1i33 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i33 n GLY 82 N -1.61 2.99 3.73 7.41 0.00 -1.26 -5.00 105.19 111.44 1i33 n GLY 82 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1i33 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i33 s HIS 83 N -1.59 3.75 -0.10 1.61 5.04 0.76 -5.03 115.29 119.73 1i33 s HIS 83 Ca 0.00 1.74 -0.17 0.00 -1.54 0.00 0.00 55.06 55.09 1i33 s HIS 83 Cb 0.00 -3.11 -0.05 0.00 0.04 0.00 0.00 32.58 29.46 1i33 s HIS 83 CO 0.00 -0.01 0.45 1.03 -2.34 0.00 0.00 174.74 173.87 1i33 s ARG 84 N 0.05 4.27 -0.12 2.88 0.52 -1.26 -1.28 118.95 124.00 1i33 s ARG 84 Ca 0.48 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 56.12 1i33 s ARG 84 Cb -0.24 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.84 1i33 s ARG 84 CO 0.31 0.26 -0.19 0.42 0.02 0.00 0.00 175.30 176.11 1i33 s ILE 85 N 0.32 1.77 0.29 1.52 1.09 0.27 -4.82 121.20 121.65 1i33 s ILE 85 Ca 0.24 -0.81 -0.28 0.00 -1.10 0.00 0.00 60.65 58.70 1i33 s ILE 85 Cb -0.15 -1.59 -0.09 0.00 -1.06 0.00 0.00 42.46 39.56 1i33 s ILE 85 CO 0.10 0.49 0.99 -0.54 -0.10 0.00 0.00 174.94 175.89 1i33 s LYS 86 N 0.89 4.67 -0.49 2.79 -0.14 -0.66 -0.03 119.74 126.77 1i33 s LYS 86 Ca -0.07 1.53 -0.08 0.00 -1.36 0.00 0.00 55.97 55.99 1i33 s LYS 86 Cb -0.15 -3.07 0.13 0.00 -1.68 0.00 0.00 37.83 33.06 1i33 s LYS 86 CO -0.02 0.32 0.36 0.00 -0.76 0.00 0.00 175.35 175.25 1i33 s VAL 88 N 1.18 4.90 0.19 0.00 1.01 0.13 -4.81 120.40 123.00 1i33 s VAL 88 Ca 0.07 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1i33 s VAL 88 Cb -0.25 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1i33 s VAL 88 CO -0.02 0.29 1.23 -0.75 0.00 0.00 0.00 175.10 175.85 1i33 s LYS 89 N -1.85 4.46 1.00 2.72 2.47 -1.26 -2.54 119.74 124.74 1i33 s LYS 89 Ca 0.36 1.92 -0.12 0.00 -1.56 0.00 0.00 55.97 56.57 1i33 s LYS 89 Cb -0.15 -3.23 0.19 0.00 -1.46 0.00 0.00 37.83 33.18 1i33 s LYS 89 CO 0.19 -0.13 1.08 0.00 0.16 0.00 0.00 175.35 176.65 1i33 s ALA 90 N -0.03 0.76 0.04 3.13 0.00 0.25 -4.79 121.76 121.11 1i33 s ALA 90 Ca 0.54 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1i33 s ALA 90 Cb -0.34 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1i33 s ALA 90 CO 0.37 -3.02 0.02 -0.65 0.00 0.00 0.00 175.76 172.48 1i33 s GLN 91 N -4.70 0.51 0.05 0.00 -1.52 -1.26 -4.99 119.66 107.75 1i33 s GLN 91 Ca 0.66 -0.86 -0.25 0.00 -1.95 0.00 0.00 55.36 52.96 1i33 s GLN 91 Cb -0.22 0.19 -0.17 0.00 -0.22 0.00 0.00 33.01 32.59 1i33 s GLN 91 CO 0.60 -0.11 1.52 0.00 -0.25 0.00 0.00 175.29 177.05 1i33 h ARG 92 N 3.79 -0.18 -4.92 2.91 3.08 -1.98 -3.41 114.38 113.67 1i33 h ARG 92 Ca -0.33 0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.08 1i33 h ARG 92 Cb 1.18 0.04 -0.23 0.00 0.08 0.00 0.00 29.97 31.04 1i33 h ARG 92 CO 0.53 0.03 -0.62 1.21 -1.07 0.00 0.00 179.97 180.04 1i33 s ASN 93 N -5.19 5.13 0.48 7.04 2.47 -1.26 -4.97 114.94 118.63 1i33 s ASN 93 Ca -0.14 -0.29 0.35 0.00 0.42 0.00 0.00 52.86 53.19 1i33 s ASN 93 Cb 0.04 -1.92 1.50 0.00 -1.45 0.00 0.00 41.25 39.42 1i33 s ASN 93 CO 0.64 -0.06 1.63 -0.65 -3.72 0.00 0.00 177.10 174.94 1i33 h PRO 94 N 8.24 0.07 0.00 0.43 0.11 -1.88 0.83 132.00 139.80 1i33 h PRO 94 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1i33 h PRO 94 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1i33 h PRO 94 CO 0.58 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 1i33 h ALA 95 N 1.44 1.00 -0.13 -0.75 0.00 -1.89 -0.56 119.26 118.37 1i33 h ALA 95 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.73 1i33 h ALA 95 Cb 2.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.58 1i33 h ALA 95 CO -0.28 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1i33 n ASP 96 N -3.05 1.15 -4.74 0.00 8.00 0.29 -4.12 116.55 114.07 1i33 n ASP 96 Ca -0.02 -1.68 -0.40 0.00 0.71 0.00 0.00 54.79 53.41 1i33 n ASP 96 Cb 0.15 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1i33 n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i33 s LEU 97 N -1.48 4.51 0.00 0.64 1.43 -0.22 -4.95 118.68 118.61 1i33 s LEU 97 Ca 0.28 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1i33 s LEU 97 Cb 0.15 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1i33 s LEU 97 CO 0.22 0.02 0.65 -0.81 0.23 0.00 0.00 176.35 176.67 1i33 n PRO 98 N 2.48 0.67 -0.28 1.29 -0.04 -1.26 -4.50 135.00 133.36 1i33 n PRO 98 Ca -0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1i33 n PRO 98 Cb 0.49 -1.18 0.13 0.00 -0.04 0.00 0.00 33.50 32.91 1i33 n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1i33 h TRP 99 N 0.65 -0.29 -0.15 0.54 -0.00 -1.89 0.37 115.95 115.17 1i33 h TRP 99 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1i33 h TRP 99 Cb 0.65 0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 30.06 1i33 h TRP 99 CO 0.00 -0.32 0.06 0.78 -0.00 0.00 0.00 178.44 178.96 1i33 h GLY 100 N 0.03 0.24 1.33 1.49 0.00 -1.56 0.65 103.07 105.24 1i33 h GLY 100 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1i33 h GLY 100 CO -0.79 0.12 0.37 1.70 0.00 0.00 0.00 176.54 177.95 1i33 h LYS 101 N 0.08 0.89 0.00 4.80 3.64 -1.39 -1.91 116.57 122.68 1i33 h LYS 101 Ca 0.05 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1i33 h LYS 101 Cb 0.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1i33 h LYS 101 CO -0.00 0.64 0.00 -0.07 -2.27 0.00 0.00 179.45 177.74 1i33 h LEU 102 N 0.90 0.00 0.00 5.20 3.38 -0.08 -3.47 115.31 121.24 1i33 h LEU 102 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i33 h LEU 102 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i33 h LEU 102 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1i33 n GLY 103 N 0.95 0.66 3.76 0.83 0.00 0.03 -5.03 105.19 106.40 1i33 n GLY 103 Ca 0.04 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1i33 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i33 s VAL 104 N -2.00 4.88 -0.17 1.61 1.01 -0.13 -4.83 120.40 120.77 1i33 s VAL 104 Ca 0.00 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 1i33 s VAL 104 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1i33 s VAL 104 CO 0.00 0.42 -0.19 0.47 0.00 0.00 0.00 175.10 175.79 1i33 n ASP 105 N 2.71 1.81 -4.37 3.32 8.00 -0.14 -4.31 116.55 123.57 1i33 n ASP 105 Ca -0.06 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.15 1i33 n ASP 105 Cb 0.51 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.08 1i33 n ASP 105 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1i33 s TYR 106 N -2.32 3.20 -0.20 1.24 1.51 0.14 -1.12 117.35 119.79 1i33 s TYR 106 Ca -0.23 -0.94 -0.08 0.00 -1.01 0.00 0.00 57.07 54.81 1i33 s TYR 106 Cb 0.08 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1i33 s TYR 106 CO 0.33 -0.59 0.08 0.08 -1.11 0.00 0.00 175.55 174.34 1i33 s VAL 107 N 1.53 4.77 -0.47 0.71 1.01 -0.40 -1.22 120.40 126.32 1i33 s VAL 107 Ca 0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1i33 s VAL 107 Cb -0.18 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1i33 s VAL 107 CO 0.05 0.42 0.63 -0.63 0.00 0.00 0.00 175.10 175.57 1i33 s ILE 108 N 0.73 4.84 -0.74 2.22 1.01 -0.28 -0.65 121.20 128.33 1i33 s ILE 108 Ca 0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 1i33 s ILE 108 Cb -0.13 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.14 1i33 s ILE 108 CO 0.02 -0.71 1.15 -0.70 0.00 0.00 0.00 174.94 174.70 1i33 s GLU 109 N 2.74 3.22 -0.27 2.79 2.56 -0.21 -1.94 118.70 127.59 1i33 s GLU 109 Ca 0.19 -0.68 0.13 0.00 0.00 0.00 0.00 54.97 54.60 1i33 s GLU 109 Cb -0.17 -4.36 0.47 0.00 2.00 0.00 0.00 34.13 32.08 1i33 s GLU 109 CO 0.15 -1.98 1.17 -1.13 -0.56 0.00 0.00 175.26 172.90 1i33 n SER 110 N 8.41 3.52 0.04 -1.70 3.41 -0.86 -2.02 113.62 124.41 1i33 n SER 110 Ca 0.04 -3.14 0.03 0.00 -0.26 0.00 0.00 58.87 55.55 1i33 n SER 110 Cb 0.48 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 1i33 n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i33 n THR 111 N -0.66 0.93 -0.84 6.66 -2.24 -1.15 -4.40 114.28 112.59 1i33 n THR 111 Ca 0.29 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1i33 n THR 111 Cb 0.90 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1i33 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i33 n GLY 112 N 1.35 0.65 0.27 3.38 0.00 -1.26 -4.88 105.19 104.69 1i33 n GLY 112 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1i33 n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i33 n LEU 113 N 0.00 1.41 -2.56 0.99 4.77 -1.26 -4.62 117.00 115.72 1i33 n LEU 113 Ca 0.00 -0.88 -0.15 0.00 -0.03 0.00 0.00 56.01 54.94 1i33 n LEU 113 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1i33 n LEU 113 CO 0.00 0.28 0.03 0.49 -1.33 0.00 0.00 177.39 176.86 1i33 n PHE 114 N 0.10 2.09 1.79 -1.77 3.72 -1.26 -4.84 117.46 117.29 1i33 n PHE 114 Ca 0.04 -2.76 0.01 0.00 -0.05 0.00 0.00 57.45 54.69 1i33 n PHE 114 Cb 0.19 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.50 1i33 n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1i33 n THR 115 N -0.33 0.08 -3.98 4.37 -2.24 -1.26 -4.21 114.28 106.70 1i33 n THR 115 Ca 0.22 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.58 1i33 n THR 115 Cb 0.78 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.90 1i33 n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i33 s ASP 116 N -0.96 5.03 0.27 3.42 2.15 -1.26 -0.93 116.67 124.39 1i33 s ASP 116 Ca 0.04 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.88 1i33 s ASP 116 Cb 0.02 -1.87 0.67 0.00 -0.30 0.00 0.00 42.92 41.44 1i33 s ASP 116 CO 0.02 0.05 1.35 1.17 -0.17 0.00 0.00 175.17 177.59 1i33 n LYS 117 N 4.32 -0.07 0.09 4.34 3.00 -0.15 -0.53 118.16 129.16 1i33 n LYS 117 Ca -0.17 1.28 -0.13 0.00 -0.00 0.00 0.00 58.31 59.30 1i33 n LYS 117 Cb 0.52 -2.05 -0.08 0.00 0.00 0.00 0.00 35.03 33.41 1i33 n LYS 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1i33 h LEU 118 N 0.00 -0.21 -0.61 3.14 4.07 -1.86 -2.35 115.31 117.49 1i33 h LEU 118 Ca 0.53 -0.28 0.01 0.00 0.08 0.00 0.00 57.88 58.22 1i33 h LEU 118 Cb 1.10 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 1i33 h LEU 118 CO -0.80 0.21 0.40 0.11 -1.08 0.00 0.00 178.44 177.27 1i33 h LYS 119 N -0.67 0.79 -0.02 1.13 1.57 -1.54 -2.50 116.57 115.33 1i33 h LYS 119 Ca -0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1i33 h LYS 119 Cb 0.48 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i33 h LYS 119 CO 0.04 0.52 -0.07 0.00 -0.57 0.00 0.00 179.45 179.38 1i33 h ALA 120 N 1.23 1.86 0.00 3.86 0.00 -0.82 -1.73 119.26 123.66 1i33 h ALA 120 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i33 h ALA 120 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i33 h ALA 120 CO -0.06 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.23 1i33 h GLU 121 N 0.03 0.00 -0.54 0.00 5.08 -0.94 -2.22 114.58 116.00 1i33 h GLU 121 Ca 0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1i33 h GLU 121 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1i33 h GLU 121 CO 0.01 0.00 0.36 0.78 -1.00 0.00 0.00 179.01 179.16 1i33 h GLY 122 N 0.38 0.53 0.51 -3.84 0.00 -1.41 -0.36 103.07 98.87 1i33 h GLY 122 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.27 1i33 h GLY 122 CO 0.00 0.11 0.56 0.45 0.00 0.00 0.00 176.54 177.66 1i33 h HIS 123 N 0.40 1.02 -0.50 5.60 3.86 -1.60 0.38 115.15 124.30 1i33 h HIS 123 Ca 0.24 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1i33 h HIS 123 Cb 0.43 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1i33 h HIS 123 CO -0.00 0.42 -0.00 0.82 0.86 0.00 0.00 177.93 180.02 1i33 h ILE 124 N 0.92 1.26 0.00 2.45 2.04 -1.24 -1.09 117.51 121.85 1i33 h ILE 124 Ca 0.45 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1i33 h ILE 124 Cb 0.42 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1i33 h ILE 124 CO -0.25 0.38 -0.07 0.11 0.00 0.00 0.00 178.15 178.32 1i33 h LYS 125 N 0.76 0.00 0.00 2.37 1.57 -0.79 0.14 116.57 120.61 1i33 h LYS 125 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i33 h LYS 125 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1i33 h LYS 125 CO 0.03 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.39 1i33 n GLY 126 N -0.68 -1.14 0.00 3.86 0.00 0.12 -4.85 105.19 102.50 1i33 n GLY 126 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i33 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 127 N 1.09 1.55 3.79 -0.02 0.00 0.46 -1.94 105.19 110.11 1i33 n GLY 127 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1i33 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 s ALA 128 N -2.00 2.45 -0.18 4.61 0.00 -0.60 -4.21 121.76 121.83 1i33 s ALA 128 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1i33 s ALA 128 Cb 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.73 1i33 s ALA 128 CO 0.00 -1.49 -0.08 1.17 0.00 0.00 0.00 175.76 175.36 1i33 n LYS 129 N -3.23 0.91 -4.02 0.00 4.81 -0.39 -4.25 118.16 111.99 1i33 n LYS 129 Ca 0.09 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.51 1i33 n LYS 129 Cb 0.53 -1.39 -0.10 0.00 0.02 0.00 0.00 35.03 34.09 1i33 n LYS 129 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1i33 s LYS 130 N -2.38 0.46 -0.06 1.64 -0.14 -0.28 -4.93 119.74 114.06 1i33 s LYS 130 Ca -0.19 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.55 1i33 s LYS 130 Cb 0.06 0.16 0.02 0.00 -1.68 0.00 0.00 37.83 36.40 1i33 s LYS 130 CO 0.52 -0.08 -0.03 0.08 -0.76 0.00 0.00 175.35 175.08 1i33 s VAL 131 N -2.59 0.48 -0.30 3.17 1.01 -0.05 -1.27 120.40 120.84 1i33 s VAL 131 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1i33 s VAL 131 Cb -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1i33 s VAL 131 CO -0.05 0.24 0.03 -0.69 0.00 0.00 0.00 175.10 174.62 1i33 s VAL 132 N 1.31 3.28 -0.12 2.92 1.01 0.17 -0.15 120.40 128.82 1i33 s VAL 132 Ca -0.05 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 1i33 s VAL 132 Cb -0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1i33 s VAL 132 CO -0.02 -0.07 0.81 -0.63 0.00 0.00 0.00 175.10 175.19 1i33 s ILE 133 N 1.33 4.93 -0.31 2.22 1.01 0.19 -1.05 121.20 129.52 1i33 s ILE 133 Ca -0.03 1.62 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 1i33 s ILE 133 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1i33 s ILE 133 CO -0.00 0.10 3.05 -1.54 0.00 0.00 0.00 174.94 176.55 1i33 n SER 134 N 4.71 6.08 -3.64 3.58 3.41 -0.86 -1.91 113.62 125.00 1i33 n SER 134 Ca 0.03 -2.98 0.02 0.00 -0.26 0.00 0.00 58.87 55.68 1i33 n SER 134 Cb 0.50 -1.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1i33 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i33 s ALA 135 N -0.85 -2.28 0.35 7.33 0.00 -1.24 -4.98 121.76 120.09 1i33 s ALA 135 Ca 0.62 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 1i33 s ALA 135 Cb 0.36 0.42 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 1i33 s ALA 135 CO -0.15 -1.07 1.37 -2.14 0.00 0.00 0.00 175.76 173.77 1i33 s PRO 136 N -2.34 4.26 0.13 0.00 0.02 -1.24 -4.06 135.00 131.76 1i33 s PRO 136 Ca 0.16 2.35 0.09 0.00 0.02 0.00 0.00 61.00 63.62 1i33 s PRO 136 Cb 0.04 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 1i33 s PRO 136 CO -0.04 -0.32 -0.23 0.00 -0.33 0.00 0.00 177.00 176.08 1i33 s ALA 137 N -1.14 2.08 0.56 -1.55 0.00 -1.26 -4.87 121.76 115.59 1i33 s ALA 137 Ca 0.50 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1i33 s ALA 137 Cb -0.42 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.46 1i33 s ALA 137 CO 0.57 0.41 0.46 -1.54 0.00 0.00 0.00 175.76 175.66 1i33 s SER 138 N -2.12 4.66 0.00 0.00 1.04 -0.10 -4.64 113.70 112.53 1i33 s SER 138 Ca 0.11 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1i33 s SER 138 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1i33 s SER 138 CO 0.06 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1i33 n GLY 139 N -1.86 0.82 0.97 7.32 0.00 -1.26 -0.98 105.19 110.20 1i33 n GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i33 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 140 N -2.15 0.74 3.68 -0.02 0.00 -1.26 -4.70 105.19 101.48 1i33 n GLY 140 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1i33 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 s ALA 141 N -2.65 3.56 0.16 4.61 0.00 -1.26 -5.02 121.76 121.16 1i33 s ALA 141 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 51.96 51.10 1i33 s ALA 141 Cb 0.00 -2.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.38 1i33 s ALA 141 CO 0.00 -0.23 1.31 1.17 0.00 0.00 0.00 175.76 178.01 1i33 n LYS 142 N 4.32 1.43 -4.20 0.00 3.00 -1.24 -4.65 118.16 116.83 1i33 n LYS 142 Ca -0.09 0.51 -0.34 0.00 -0.00 0.00 0.00 58.31 58.39 1i33 n LYS 142 Cb 0.51 -2.12 -0.14 0.00 0.00 0.00 0.00 35.03 33.29 1i33 n LYS 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1i33 s THR 143 N 0.18 3.39 0.10 3.15 2.01 -1.26 -0.75 115.64 122.46 1i33 s THR 143 Ca 0.76 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 62.36 1i33 s THR 143 Cb -0.83 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1i33 s THR 143 CO 0.48 0.46 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.98 1i33 s ILE 144 N 1.02 2.17 -0.40 1.82 1.01 0.36 -4.78 121.20 122.40 1i33 s ILE 144 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 60.65 59.05 1i33 s ILE 144 Cb -0.15 -1.91 0.12 0.00 0.01 0.00 0.00 42.46 40.54 1i33 s ILE 144 CO -0.00 0.17 0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1i33 s VAL 145 N -0.98 1.52 -0.04 2.92 1.01 -1.26 -4.17 120.40 119.40 1i33 s VAL 145 Ca 0.13 -2.31 -0.39 0.00 0.00 0.00 0.00 61.98 59.40 1i33 s VAL 145 Cb -0.10 -2.09 -0.19 0.00 0.00 0.00 0.00 36.38 33.99 1i33 s VAL 145 CO 0.05 -0.79 1.08 0.23 0.00 0.00 0.00 175.10 175.67 1i33 n MET 146 N 3.93 0.00 -0.16 2.72 0.00 -1.26 -0.39 117.12 121.96 1i33 n MET 146 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1i33 n MET 146 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.14 1i33 n MET 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i33 n GLY 147 N 1.63 0.59 0.06 3.03 0.00 -1.26 -4.84 105.19 104.39 1i33 n GLY 147 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1i33 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i33 n VAL 148 N -2.00 0.00 -2.10 1.61 0.31 0.48 -4.96 118.33 111.67 1i33 n VAL 148 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1i33 n VAL 148 Cb 0.00 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 32.76 1i33 n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1i33 n ASN 149 N -1.78 -0.13 0.04 4.52 6.94 -1.15 -4.89 115.26 118.80 1i33 n ASN 149 Ca 0.00 -1.72 0.11 0.00 -0.02 0.00 0.00 54.58 52.95 1i33 n ASN 149 Cb 0.13 0.01 0.56 0.00 -2.36 0.00 0.00 39.78 38.11 1i33 n ASN 149 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1i33 h GLN 150 N 0.21 0.24 0.00 -3.83 -0.00 -1.94 -0.46 115.11 109.32 1i33 h GLN 150 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1i33 h GLN 150 Cb 1.39 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1i33 h GLN 150 CO -0.08 0.16 0.01 -2.39 -0.00 0.00 0.00 178.83 176.53 1i33 n HIS 151 N -4.47 0.12 0.73 0.06 1.44 -1.26 -0.34 115.22 111.50 1i33 n HIS 151 Ca 0.05 0.06 0.09 0.00 -2.01 0.00 0.00 57.72 55.92 1i33 n HIS 151 Cb 0.29 -0.59 0.27 0.00 0.12 0.00 0.00 29.99 30.08 1i33 n HIS 151 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1i33 n GLU 152 N -1.62 2.04 -2.57 -1.40 1.02 -0.18 -4.87 120.64 113.06 1i33 n GLU 152 Ca -0.00 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.12 1i33 n GLU 152 Cb 0.02 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1i33 n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1i33 s TYR 153 N -1.55 3.34 -0.30 -0.32 5.04 0.54 -5.01 117.35 119.09 1i33 s TYR 153 Ca 0.33 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 56.30 1i33 s TYR 153 Cb 0.18 -3.31 0.02 0.00 0.35 0.00 0.00 41.96 39.20 1i33 s TYR 153 CO 0.25 -0.79 0.07 0.45 -1.34 0.00 0.00 175.55 174.20 1i33 s SER 154 N 1.30 5.10 0.24 4.32 0.15 -1.26 -4.99 113.70 118.56 1i33 s SER 154 Ca 0.52 -0.82 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 1i33 s SER 154 Cb -0.21 -1.86 0.43 0.00 -1.71 0.00 0.00 66.02 62.67 1i33 s SER 154 CO 0.20 -0.22 1.75 -0.65 1.20 0.00 0.00 173.24 175.52 1i33 h PRO 155 N 8.21 0.52 0.00 5.44 0.11 -1.91 0.12 132.00 144.49 1i33 h PRO 155 Ca -0.30 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1i33 h PRO 155 Cb 1.11 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1i33 h PRO 155 CO 0.60 0.34 -0.42 0.00 -0.21 0.00 0.00 178.00 178.31 1i33 h ALA 156 N 1.51 0.79 0.00 -0.75 0.00 -1.98 -3.39 119.26 115.44 1i33 h ALA 156 Ca 0.40 -0.25 -0.37 0.00 0.00 0.00 0.00 54.91 54.69 1i33 h ALA 156 Cb 0.54 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1i33 h ALA 156 CO -0.35 0.32 -2.42 0.43 0.00 0.00 0.00 179.25 177.23 1i33 n SER 157 N -3.09 1.84 -4.57 0.00 7.64 -0.89 -4.91 113.62 109.64 1i33 n SER 157 Ca 0.02 -0.12 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1i33 n SER 157 Cb 0.64 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1i33 n SER 157 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i33 s HIS 158 N -2.50 3.22 -0.06 1.43 3.76 0.35 -4.90 115.29 116.61 1i33 s HIS 158 Ca -0.31 0.07 0.07 0.00 -0.15 0.00 0.00 55.06 54.74 1i33 s HIS 158 Cb 0.08 -2.54 -0.11 0.00 1.11 0.00 0.00 32.58 31.13 1i33 s HIS 158 CO 0.60 -0.31 0.08 0.72 -0.85 0.00 0.00 174.74 174.99 1i33 n HIS 159 N 5.24 0.00 -3.96 1.40 -0.00 -1.26 -4.72 115.22 111.92 1i33 n HIS 159 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.27 1i33 n HIS 159 Cb 0.50 -0.32 -0.14 0.00 -0.00 0.00 0.00 29.99 30.03 1i33 n HIS 159 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1i33 s VAL 160 N -2.32 2.74 0.07 1.59 1.01 -1.26 -0.87 120.40 121.36 1i33 s VAL 160 Ca -0.04 -1.49 0.07 0.00 0.00 0.00 0.00 61.98 60.52 1i33 s VAL 160 Cb 0.03 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1i33 s VAL 160 CO 0.33 -0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 174.49 1i33 s VAL 161 N 1.20 3.06 -0.07 2.92 1.01 0.79 -3.60 120.40 125.70 1i33 s VAL 161 Ca -0.06 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1i33 s VAL 161 Cb -0.20 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1i33 s VAL 161 CO -0.02 0.24 -0.17 -0.55 0.00 0.00 0.00 175.10 174.59 1i33 s SER 162 N -1.78 3.75 -0.13 3.32 0.15 0.07 0.56 113.70 119.65 1i33 s SER 162 Ca 0.17 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 56.61 1i33 s SER 162 Cb -0.11 -1.03 0.56 0.00 -1.71 0.00 0.00 66.02 63.73 1i33 s SER 162 CO 0.09 0.27 1.38 -3.20 1.20 0.00 0.00 173.24 172.98 1i33 n ASN 163 N 2.80 4.03 0.00 5.45 4.05 -0.80 -0.48 115.26 130.30 1i33 n ASN 163 Ca -0.17 -2.52 0.00 0.00 0.45 0.00 0.00 54.58 52.34 1i33 n ASN 163 Cb 0.52 -0.57 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1i33 n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i33 n ALA 164 N 0.57 0.00 -2.68 5.20 0.00 -1.26 -4.83 120.51 117.51 1i33 n ALA 164 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1i33 n ALA 164 Cb 0.82 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 1i33 n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i33 s SER 165 N -4.00 4.74 0.29 0.00 1.04 -1.26 -3.58 113.70 110.93 1i33 s SER 165 Ca 0.00 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1i33 s SER 165 Cb 0.00 -0.96 0.65 0.00 0.10 0.00 0.00 66.02 65.81 1i33 s SER 165 CO 0.00 -0.01 1.81 0.00 0.98 0.00 0.00 173.24 176.02 1i33 h THR 167 N 0.88 1.30 -0.35 0.00 2.02 -1.95 -3.04 112.91 111.78 1i33 h THR 167 Ca 0.54 -1.79 -0.09 0.00 0.77 0.00 0.00 66.41 65.83 1i33 h THR 167 Cb 0.69 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1i33 h THR 167 CO -0.32 0.57 -0.18 0.74 0.37 0.00 0.00 175.52 176.70 1i33 h THR 168 N 0.53 1.26 0.00 3.16 2.02 -1.53 -1.79 112.91 116.56 1i33 h THR 168 Ca 0.01 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1i33 h THR 168 Cb 1.15 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1i33 h THR 168 CO 0.12 0.40 0.00 0.59 0.37 0.00 0.00 175.52 176.99 1i33 n ASN 169 N -4.15 0.00 -0.08 4.18 3.02 -0.37 -0.42 115.26 117.44 1i33 n ASN 169 Ca 0.00 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 1i33 n ASN 169 Cb 0.38 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 1i33 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i33 h LEU 171 N 0.00 0.14 -0.56 0.00 5.85 -0.96 -3.36 115.31 116.43 1i33 h LEU 171 Ca -0.40 -0.93 0.10 0.00 0.84 0.00 0.00 57.88 57.49 1i33 h LEU 171 Cb 1.74 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.62 1i33 h LEU 171 CO -0.03 1.19 -0.35 0.00 -0.34 0.00 0.00 178.44 178.91 1i33 h ALA 172 N -0.03 -0.11 -0.18 1.25 0.00 -1.00 -0.71 119.26 118.47 1i33 h ALA 172 Ca -0.09 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1i33 h ALA 172 Cb 1.25 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 1i33 h ALA 172 CO 0.02 -0.71 -0.43 -1.35 0.00 0.00 0.00 179.25 176.78 1i33 h PRO 173 N -0.19 -0.39 -0.27 0.00 0.11 -1.79 0.78 132.00 130.26 1i33 h PRO 173 Ca 0.21 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.41 1i33 h PRO 173 Cb 0.55 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.68 1i33 h PRO 173 CO -0.66 -0.26 -0.32 0.82 -0.21 0.00 0.00 178.00 177.37 1i33 h ILE 174 N -0.41 0.26 -0.92 4.15 1.08 -1.56 -0.25 117.51 119.87 1i33 h ILE 174 Ca 0.04 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1i33 h ILE 174 Cb 0.51 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 1i33 h ILE 174 CO -0.39 0.00 0.60 0.58 -0.69 0.00 0.00 178.15 178.25 1i33 h VAL 175 N -0.32 1.06 0.13 1.67 2.07 -0.62 0.29 116.25 120.54 1i33 h VAL 175 Ca 0.13 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1i33 h VAL 175 Cb 0.54 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1i33 h VAL 175 CO -0.44 0.19 -0.17 -0.74 0.02 0.00 0.00 177.57 176.43 1i33 h HIS 176 N 1.04 -0.44 -0.34 1.57 -0.00 0.23 -1.06 115.15 116.15 1i33 h HIS 176 Ca 0.40 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.69 1i33 h HIS 176 Cb 0.22 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1i33 h HIS 176 CO -0.00 -0.25 -0.15 -0.39 -0.00 0.00 0.00 177.93 177.13 1i33 h VAL 177 N -0.35 1.25 -0.53 5.26 -1.51 -0.86 0.14 116.25 119.65 1i33 h VAL 177 Ca 0.01 -1.15 0.03 0.00 -1.23 0.00 0.00 66.70 64.36 1i33 h VAL 177 Cb 0.35 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 1i33 h VAL 177 CO -0.07 0.38 0.35 -0.07 -1.23 0.00 0.00 177.57 176.94 1i33 h LEU 178 N 0.56 0.52 0.08 4.19 3.38 -0.51 -0.19 115.31 123.34 1i33 h LEU 178 Ca 0.09 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 1i33 h LEU 178 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1i33 h LEU 178 CO 0.04 0.36 -1.15 0.71 0.09 0.00 0.00 178.44 178.48 1i33 h THR 179 N 0.61 1.15 -0.38 0.22 1.35 -0.71 -1.34 112.91 113.81 1i33 h THR 179 Ca 0.22 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1i33 h THR 179 Cb 0.11 2.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 1i33 h THR 179 CO -0.06 0.63 0.24 0.50 -0.25 0.00 0.00 175.52 176.58 1i33 h LYS 180 N -0.51 0.50 -0.30 4.72 3.64 -0.61 0.69 116.57 124.71 1i33 h LYS 180 Ca -0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1i33 h LYS 180 Cb 1.58 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1i33 h LYS 180 CO 0.02 0.34 0.00 0.39 -2.27 0.00 0.00 179.45 177.93 1i33 n GLU 181 N -4.47 1.55 -2.84 1.90 -0.58 -0.10 -4.89 120.64 111.21 1i33 n GLU 181 Ca 0.03 -0.74 -0.22 0.00 -0.42 0.00 0.00 57.16 55.80 1i33 n GLU 181 Cb 0.07 -1.23 0.02 0.00 -0.57 0.00 0.00 31.44 29.73 1i33 n GLU 181 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1i33 n ASN 182 N 0.10 -6.12 0.19 1.62 3.02 0.24 -4.86 115.26 109.44 1i33 n ASN 182 Ca 0.07 -0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.51 1i33 n ASN 182 Cb 0.22 -4.98 0.12 0.00 -0.61 0.00 0.00 39.78 34.52 1i33 n ASN 182 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1i33 h PHE 183 N -1.00 0.00 -2.06 3.10 0.04 -1.42 -3.47 116.94 112.14 1i33 h PHE 183 Ca -0.53 0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.47 1i33 h PHE 183 Cb 1.37 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.43 1i33 h PHE 183 CO 0.54 0.11 -0.55 0.41 -0.60 0.00 0.00 178.31 178.21 1i33 n GLY 184 N 1.14 -2.38 3.17 -1.45 0.00 -1.10 -2.27 105.19 102.31 1i33 n GLY 184 Ca 0.03 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.82 1i33 n GLY 184 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i33 s ILE 185 N -2.77 -0.99 0.07 -0.61 2.07 -1.26 -4.18 121.20 113.53 1i33 s ILE 185 Ca 0.00 0.00 -0.34 0.00 -1.41 0.00 0.00 60.65 58.90 1i33 s ILE 185 Cb 0.00 -0.56 -0.19 0.00 0.13 0.00 0.00 42.46 41.84 1i33 s ILE 185 CO 0.00 0.00 1.62 -0.08 -1.91 0.00 0.00 174.94 174.57 1i33 h GLU 186 N 7.55 -0.94 -3.48 3.50 4.81 -1.41 -3.47 114.58 121.15 1i33 h GLU 186 Ca 0.01 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1i33 h GLU 186 Cb 1.19 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.65 1i33 h GLU 186 CO 0.13 -0.62 -0.13 0.95 -0.73 0.00 0.00 179.01 178.61 1i33 s THR 187 N -6.04 0.08 -0.17 0.32 -4.23 -1.26 -4.84 115.64 99.49 1i33 s THR 187 Ca -0.18 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1i33 s THR 187 Cb 0.03 -1.27 0.09 0.00 1.34 0.00 0.00 72.50 72.69 1i33 s THR 187 CO 0.62 -0.35 0.83 -0.83 -0.54 0.00 0.00 174.62 174.34 1i33 s GLY 188 N -2.83 -0.42 -0.10 3.99 0.00 -0.79 -1.97 107.32 105.20 1i33 s GLY 188 Ca 0.05 1.91 0.02 0.00 0.00 0.00 0.00 44.72 46.70 1i33 s GLY 188 CO -0.10 1.33 -0.15 1.08 0.00 0.00 0.00 173.10 175.26 1i33 s LEU 189 N -0.52 1.71 -0.06 0.66 1.02 -0.30 -2.89 118.68 118.29 1i33 s LEU 189 Ca -0.04 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.76 1i33 s LEU 189 Cb -0.02 -1.04 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1i33 s LEU 189 CO 0.03 0.03 -0.19 0.00 0.02 0.00 0.00 176.35 176.24 1i33 s MET 190 N 0.88 2.63 -0.08 1.70 0.23 -0.29 -1.89 119.30 122.48 1i33 s MET 190 Ca -0.09 -0.78 0.01 0.00 -1.03 0.00 0.00 55.69 53.79 1i33 s MET 190 Cb -0.15 -2.32 -0.03 0.00 -1.53 0.00 0.00 34.83 30.80 1i33 s MET 190 CO 0.00 0.47 -0.09 0.99 -2.03 0.00 0.00 175.02 174.37 1i33 s THR 191 N -0.35 3.54 -0.12 3.16 2.01 0.13 -1.29 115.64 122.71 1i33 s THR 191 Ca 0.03 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1i33 s THR 191 Cb -0.12 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 69.95 1i33 s THR 191 CO 0.02 0.58 -0.13 0.28 -0.69 0.00 0.00 174.62 174.68 1i33 s THR 192 N -0.54 1.39 -0.49 -0.82 -1.32 -0.59 0.07 115.64 113.34 1i33 s THR 192 Ca 0.08 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 1i33 s THR 192 Cb -0.12 -1.31 0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1i33 s THR 192 CO 0.02 0.43 0.92 -0.63 -2.21 0.00 0.00 174.62 173.14 1i33 s ILE 193 N 1.36 4.46 0.03 5.08 1.09 -0.39 -0.00 121.20 132.82 1i33 s ILE 193 Ca 0.01 0.54 0.04 0.00 -1.10 0.00 0.00 60.65 60.14 1i33 s ILE 193 Cb -0.13 -4.46 -0.04 0.00 -1.06 0.00 0.00 42.46 36.77 1i33 s ILE 193 CO -0.07 -0.93 -0.08 -2.28 -0.10 0.00 0.00 174.94 171.49 1i33 s HIS 194 N 3.78 2.84 0.60 3.97 2.46 0.29 -1.03 115.29 128.21 1i33 s HIS 194 Ca 0.34 -0.08 -0.16 0.00 0.47 0.00 0.00 55.06 55.63 1i33 s HIS 194 Cb -0.11 -1.56 -0.03 0.00 -0.13 0.00 0.00 32.58 30.75 1i33 s HIS 194 CO 0.23 0.38 1.07 -1.12 -2.47 0.00 0.00 174.74 172.83 1i33 s SER 195 N -1.64 5.69 0.73 9.88 0.01 -1.26 0.27 113.70 127.38 1i33 s SER 195 Ca 0.18 1.85 -0.13 0.00 1.31 0.00 0.00 55.95 59.16 1i33 s SER 195 Cb -0.11 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.62 1i33 s SER 195 CO 0.09 -1.23 1.13 -0.72 0.41 0.00 0.00 173.24 172.92 1i33 s TYR 196 N -2.42 2.38 0.22 2.43 -0.85 -0.46 -4.71 117.35 113.94 1i33 s TYR 196 Ca 0.64 1.59 0.00 0.00 -0.52 0.00 0.00 57.07 58.79 1i33 s TYR 196 Cb -0.17 -3.21 -0.00 0.00 0.38 0.00 0.00 41.96 38.96 1i33 s TYR 196 CO 0.37 -2.03 0.01 0.25 -1.52 0.00 0.00 175.55 172.63 1i33 n THR 197 N -2.99 0.00 0.23 -3.49 -2.24 -1.26 -4.75 114.28 99.78 1i33 n THR 197 Ca 0.11 -1.05 0.09 0.00 -2.27 0.00 0.00 64.05 60.93 1i33 n THR 197 Cb 0.52 0.23 0.55 0.00 -2.10 0.00 0.00 70.33 69.53 1i33 n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i33 h ALA 198 N 1.14 1.28 0.00 6.98 0.00 -1.99 -2.47 119.26 124.20 1i33 h ALA 198 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1i33 h ALA 198 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i33 h ALA 198 CO 0.29 0.28 0.00 0.25 0.00 0.00 0.00 179.25 180.07 1i33 n THR 199 N -3.77 0.33 -2.11 0.00 -2.24 -1.26 -4.83 114.28 100.41 1i33 n THR 199 Ca -0.01 0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.56 1i33 n THR 199 Cb 0.33 -0.66 0.18 0.00 -2.10 0.00 0.00 70.33 68.08 1i33 n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i33 n GLN 200 N -1.53 -1.00 -4.70 -0.78 6.02 -0.93 -4.96 117.38 109.50 1i33 n GLN 200 Ca 0.06 -2.26 -0.29 0.00 -0.01 0.00 0.00 57.00 54.51 1i33 n GLN 200 Cb 0.29 -1.19 -0.14 0.00 1.02 0.00 0.00 30.24 30.22 1i33 n GLN 200 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i33 s LYS 201 N -5.72 1.59 0.07 -1.09 3.01 -1.26 -5.01 119.74 111.33 1i33 s LYS 201 Ca 0.74 -1.14 -0.19 0.00 -1.01 0.00 0.00 55.97 54.37 1i33 s LYS 201 Cb -0.02 -1.84 -0.11 0.00 -1.01 0.00 0.00 37.83 34.85 1i33 s LYS 201 CO 0.51 0.46 1.44 1.79 0.51 0.00 0.00 175.35 180.06 1i33 h THR 202 N 4.16 1.30 -3.67 2.17 1.35 -1.94 0.23 112.91 116.51 1i33 h THR 202 Ca -0.47 -1.12 -0.38 0.00 -0.55 0.00 0.00 66.41 63.89 1i33 h THR 202 Cb 1.15 1.59 -0.19 0.00 -1.73 0.00 0.00 68.15 68.98 1i33 h THR 202 CO 0.42 0.34 -0.75 0.68 -0.25 0.00 0.00 175.52 175.96 1i33 s VAL 203 N -4.65 1.18 -0.69 6.82 -7.23 -1.26 -4.12 120.40 110.45 1i33 s VAL 203 Ca -0.14 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 1i33 s VAL 203 Cb 0.07 -1.41 -0.18 0.00 0.56 0.00 0.00 36.38 35.42 1i33 s VAL 203 CO 0.76 -0.44 2.11 0.47 -0.31 0.00 0.00 175.10 177.69 1i33 n ASP 204 N 0.64 0.40 0.00 4.85 8.00 -1.26 -4.44 116.55 124.74 1i33 n ASP 204 Ca -0.16 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1i33 n ASP 204 Cb 0.57 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1i33 n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i33 n GLY 205 N 5.86 7.48 3.79 0.44 0.00 0.88 -4.93 105.19 118.71 1i33 n GLY 205 Ca 0.53 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 1i33 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i33 s VAL 206 N 1.06 5.04 -0.49 1.61 1.01 -1.26 -4.73 120.40 122.63 1i33 s VAL 206 Ca 0.00 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.95 1i33 s VAL 206 Cb 0.00 -3.77 0.20 0.00 0.00 0.00 0.00 36.38 32.81 1i33 s VAL 206 CO 0.00 0.50 0.81 -0.24 0.00 0.00 0.00 175.10 176.16 1i33 n SER 207 N 2.40 -3.09 -0.37 3.32 2.88 -1.26 -4.85 113.62 112.65 1i33 n SER 207 Ca -0.11 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1i33 n SER 207 Cb 0.52 1.60 0.14 0.00 -0.75 0.00 0.00 64.21 65.72 1i33 n SER 207 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1i33 h LEU 208 N 4.77 1.07 0.47 2.46 3.38 -1.95 -3.06 115.31 122.44 1i33 h LEU 208 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1i33 h LEU 208 Cb 1.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1i33 h LEU 208 CO 0.01 0.72 -0.22 0.11 0.09 0.00 0.00 178.44 179.15 1i33 h LYS 209 N 1.23 -0.60 -3.66 1.13 1.57 -2.04 -3.40 116.57 110.80 1i33 h LYS 209 Ca 0.40 0.04 -0.73 0.00 -1.87 0.00 0.00 60.65 58.49 1i33 h LYS 209 Cb 0.03 0.14 -0.32 0.00 0.08 0.00 0.00 32.23 32.16 1i33 h LYS 209 CO -0.13 -0.40 -0.18 0.34 -0.57 0.00 0.00 179.45 178.50 1i33 s ASP 210 N -4.47 5.82 0.15 0.86 2.15 -1.21 -4.98 116.67 115.00 1i33 s ASP 210 Ca -0.09 -2.82 -0.21 0.00 0.43 0.00 0.00 52.55 49.85 1i33 s ASP 210 Cb 0.01 -1.99 0.04 0.00 -0.30 0.00 0.00 42.92 40.67 1i33 s ASP 210 CO 0.27 -0.44 1.64 -0.50 -0.17 0.00 0.00 175.17 175.97 1i33 h TRP 211 N 7.28 -0.55 -0.46 -5.34 4.06 -1.76 -1.27 115.95 117.91 1i33 h TRP 211 Ca 0.04 0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.97 1i33 h TRP 211 Cb 0.98 0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.40 1i33 h TRP 211 CO 0.84 -0.29 0.08 0.00 -3.56 0.00 0.00 178.44 175.51 1i33 h ARG 212 N -0.21 0.70 0.00 0.49 3.08 -1.90 -2.08 114.38 114.47 1i33 h ARG 212 Ca 0.14 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i33 h ARG 212 Cb 0.42 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1i33 h ARG 212 CO -0.38 0.66 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 1i33 n GLY 213 N -0.88 -0.56 0.75 0.04 0.00 -0.50 -1.10 105.19 102.93 1i33 n GLY 213 Ca 0.03 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1i33 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i33 n GLY 214 N -1.08 0.73 3.90 -0.02 0.00 -0.78 -4.17 105.19 103.77 1i33 n GLY 214 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1i33 n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i33 s ARG 215 N -1.72 3.67 -0.44 1.61 1.81 -0.26 -0.08 118.95 123.54 1i33 s ARG 215 Ca 0.34 0.07 -0.39 0.00 -1.72 0.00 0.00 55.73 54.03 1i33 s ARG 215 Cb 0.19 -2.66 -0.17 0.00 -0.45 0.00 0.00 34.95 31.87 1i33 s ARG 215 CO 0.28 0.25 1.80 0.00 -0.68 0.00 0.00 175.30 176.95 1i33 n ALA 216 N -0.68 -0.03 0.04 2.13 0.00 -1.26 -4.36 120.51 116.35 1i33 n ALA 216 Ca -0.01 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1i33 n ALA 216 Cb 0.53 -1.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 1i33 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i33 h ALA 217 N 7.32 -0.14 0.00 0.00 0.00 -0.69 -3.19 119.26 122.57 1i33 h ALA 217 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1i33 h ALA 217 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1i33 h ALA 217 CO 0.94 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1i33 n ALA 218 N -2.41 2.07 -1.78 0.00 0.00 -1.26 -2.97 120.51 114.16 1i33 n ALA 218 Ca -0.09 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1i33 n ALA 218 Cb 0.25 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.51 1i33 n ALA 218 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1i33 n VAL 219 N -0.92 0.37 -3.92 0.00 3.14 -1.23 -4.70 118.33 111.08 1i33 n VAL 219 Ca 0.10 -0.45 -0.09 0.00 -2.96 0.00 0.00 64.34 60.94 1i33 n VAL 219 Cb 0.05 0.37 -0.09 0.00 -1.06 0.00 0.00 33.84 33.10 1i33 n VAL 219 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1i33 s ASN 220 N -1.34 0.18 -0.46 6.55 0.01 -1.16 -5.06 114.94 113.66 1i33 s ASN 220 Ca 0.06 -0.58 -0.17 0.00 -0.71 0.00 0.00 52.86 51.46 1i33 s ASN 220 Cb 0.05 0.25 0.04 0.00 0.41 0.00 0.00 41.25 42.01 1i33 s ASN 220 CO 0.01 -0.56 0.48 -0.63 -1.51 0.00 0.00 177.10 174.88 1i33 s ILE 221 N -2.95 5.07 -0.28 0.60 1.01 -1.26 -4.15 121.20 119.24 1i33 s ILE 221 Ca -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1i33 s ILE 221 Cb 0.01 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1i33 s ILE 221 CO -0.06 -0.57 0.01 -0.63 0.00 0.00 0.00 174.94 173.69 1i33 s ILE 222 N 2.14 3.28 0.40 2.92 1.01 0.30 -4.93 121.20 126.33 1i33 s ILE 222 Ca 0.11 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 1i33 s ILE 222 Cb -0.19 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 1i33 s ILE 222 CO 0.11 0.07 1.11 -2.84 0.00 0.00 0.00 174.94 173.40 1i33 s PRO 223 N 1.37 4.09 0.24 2.79 0.02 -1.26 -0.34 135.00 141.91 1i33 s PRO 223 Ca -0.00 1.68 -0.14 0.00 0.02 0.00 0.00 61.00 62.56 1i33 s PRO 223 Cb -0.18 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1i33 s PRO 223 CO -0.01 -0.24 0.50 -1.54 -0.33 0.00 0.00 177.00 175.38 1i33 s SER 224 N -1.34 -0.12 0.59 2.53 1.04 -0.29 -4.75 113.70 111.36 1i33 s SER 224 Ca 0.58 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1i33 s SER 224 Cb -0.27 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1i33 s SER 224 CO 0.33 -1.15 0.82 0.42 0.98 0.00 0.00 173.24 174.65 1i33 s THR 225 N -3.99 2.53 -0.29 2.02 -4.23 -1.26 -1.13 115.64 109.29 1i33 s THR 225 Ca 0.20 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 1i33 s THR 225 Cb -0.01 -2.87 0.11 0.00 1.34 0.00 0.00 72.50 71.07 1i33 s THR 225 CO 0.07 0.00 0.75 0.28 -0.54 0.00 0.00 174.62 175.19 1i33 s THR 226 N -2.84 -0.36 -1.66 3.99 -1.32 -1.26 -4.64 115.64 107.54 1i33 s THR 226 Ca 0.59 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.38 1i33 s THR 226 Cb -0.09 -1.00 0.67 0.00 -1.51 0.00 0.00 72.50 70.57 1i33 s THR 226 CO 0.40 0.00 2.11 0.61 -2.21 0.00 0.00 174.62 175.52 1i33 n GLY 227 N 4.63 -1.15 0.41 6.08 0.00 -1.26 -3.93 105.19 109.97 1i33 n GLY 227 Ca -0.16 -0.16 0.25 0.00 0.00 0.00 0.00 46.02 45.94 1i33 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i33 h ALA 228 N 3.64 2.29 0.05 4.61 0.00 -1.95 0.20 119.26 128.10 1i33 h ALA 228 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i33 h ALA 228 Cb 0.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i33 h ALA 228 CO 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 179.25 178.49 1i33 h ALA 229 N 1.62 -0.55 -1.09 0.00 0.00 -1.92 -3.03 119.26 114.30 1i33 h ALA 229 Ca 0.63 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.82 1i33 h ALA 229 Cb 1.66 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 1i33 h ALA 229 CO -0.32 -0.55 0.72 1.57 0.00 0.00 0.00 179.25 180.67 1i33 h LYS 230 N -0.12 0.27 -0.62 0.00 2.10 -1.72 0.14 116.57 116.62 1i33 h LYS 230 Ca -0.01 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1i33 h LYS 230 Cb 0.06 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 1i33 h LYS 230 CO 0.01 0.18 0.41 0.00 -2.00 0.00 0.00 179.45 178.05 1i33 h ALA 231 N 1.57 1.63 0.00 0.07 0.00 -0.65 0.28 119.26 122.16 1i33 h ALA 231 Ca 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1i33 h ALA 231 Cb 1.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1i33 h ALA 231 CO -0.23 0.32 0.00 1.55 0.00 0.00 0.00 179.25 180.89 1i33 n VAL 232 N -4.46 1.09 0.04 0.00 3.14 0.48 -1.53 118.33 117.09 1i33 n VAL 232 Ca 0.07 0.42 -0.07 0.00 -2.96 0.00 0.00 64.34 61.80 1i33 n VAL 232 Cb 0.10 -1.35 0.11 0.00 -1.06 0.00 0.00 33.84 31.64 1i33 n VAL 232 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1i33 h GLY 233 N 1.32 0.46 1.92 7.55 0.00 -0.49 0.12 103.07 113.96 1i33 h GLY 233 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1i33 h GLY 233 CO 0.00 0.46 -0.82 -0.33 0.00 0.00 0.00 176.54 175.85 1i33 h MET 234 N 0.33 0.07 0.11 4.80 2.86 -1.35 -2.70 114.93 119.06 1i33 h MET 234 Ca 0.01 -0.07 -0.27 0.00 -2.06 0.00 0.00 59.70 57.31 1i33 h MET 234 Cb 1.01 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1i33 h MET 234 CO 0.09 0.84 -1.22 0.28 1.06 0.00 0.00 176.91 177.96 1i33 h VAL 235 N 0.04 1.52 -2.72 -2.22 2.07 -1.45 -3.39 116.25 110.10 1i33 h VAL 235 Ca -0.02 -3.11 -0.60 0.00 0.82 0.00 0.00 66.70 63.79 1i33 h VAL 235 Cb 1.43 2.93 -0.40 0.00 -1.52 0.00 0.00 31.29 33.73 1i33 h VAL 235 CO 0.11 0.90 -0.79 -0.63 0.02 0.00 0.00 177.57 177.18 1i33 s ILE 236 N -2.66 1.43 0.54 4.57 1.01 0.02 -4.84 121.20 121.26 1i33 s ILE 236 Ca -0.03 -3.24 0.46 0.00 0.00 0.00 0.00 60.65 57.84 1i33 s ILE 236 Cb 0.07 -1.96 0.69 0.00 0.01 0.00 0.00 42.46 41.27 1i33 s ILE 236 CO 0.87 -1.10 1.59 -0.65 0.00 0.00 0.00 174.94 175.65 1i33 h PRO 237 N 5.71 0.01 0.00 2.79 0.11 -1.69 0.75 132.00 139.68 1i33 h PRO 237 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1i33 h PRO 237 Cb 0.85 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1i33 h PRO 237 CO 0.51 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 1i33 n SER 238 N -4.09 0.29 -1.03 -2.05 3.41 -1.26 -2.10 113.62 106.79 1i33 n SER 238 Ca 0.42 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.71 1i33 n SER 238 Cb 1.89 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 65.43 1i33 n SER 238 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i33 n THR 239 N -1.85 1.27 -1.75 6.66 -2.24 0.26 -4.95 114.28 111.67 1i33 n THR 239 Ca 0.01 -1.12 -0.42 0.00 -2.27 0.00 0.00 64.05 60.26 1i33 n THR 239 Cb 0.12 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1i33 n THR 239 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i33 n LYS 240 N 0.85 2.59 -0.88 -0.78 4.76 -0.89 -1.73 118.16 122.07 1i33 n LYS 240 Ca 0.19 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.54 1i33 n LYS 240 Cb 0.61 -2.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1i33 n LYS 240 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i33 n GLY 241 N 0.98 0.05 0.09 0.72 0.00 -1.26 -4.75 105.19 101.01 1i33 n GLY 241 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1i33 n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i33 n LYS 242 N 0.01 1.05 -3.24 1.61 5.02 -0.70 -5.01 118.16 116.89 1i33 n LYS 242 Ca 0.00 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1i33 n LYS 242 Cb 0.34 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1i33 n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i33 s LEU 243 N -5.45 3.28 0.00 -0.35 1.02 -1.23 -1.88 118.68 114.07 1i33 s LEU 243 Ca -0.12 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.28 1i33 s LEU 243 Cb 0.06 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.29 1i33 s LEU 243 CO 0.69 -1.00 0.00 1.07 0.02 0.00 0.00 176.35 177.13 1i33 n THR 244 N -1.93 0.00 -3.74 5.49 5.66 -1.14 -4.55 114.28 114.07 1i33 n THR 244 Ca 0.09 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1i33 n THR 244 Cb 0.61 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.41 1i33 n THR 244 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1i33 n GLY 245 N -0.50 0.91 3.22 1.09 0.00 -1.26 -1.14 105.19 107.51 1i33 n GLY 245 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1i33 n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1i33 s MET 246 N -2.05 1.23 0.12 1.61 0.23 -0.41 -4.33 119.30 115.69 1i33 s MET 246 Ca 0.16 -1.65 0.07 0.00 -1.03 0.00 0.00 55.69 53.25 1i33 s MET 246 Cb -0.03 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 1i33 s MET 246 CO 0.07 -0.36 -0.17 0.45 -2.03 0.00 0.00 175.02 172.97 1i33 s SER 247 N -3.18 2.32 -0.33 -1.18 0.15 -0.28 -1.53 113.70 109.66 1i33 s SER 247 Ca 0.38 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1i33 s SER 247 Cb 0.07 -0.11 0.10 0.00 -1.71 0.00 0.00 66.02 64.37 1i33 s SER 247 CO 0.12 -0.05 0.11 -0.36 1.20 0.00 0.00 173.24 174.26 1i33 s PHE 248 N -1.75 2.20 -0.05 3.44 0.08 1.00 -1.14 117.98 121.76 1i33 s PHE 248 Ca 0.09 -2.11 -0.30 0.00 0.12 0.00 0.00 56.93 54.73 1i33 s PHE 248 Cb -0.07 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1i33 s PHE 248 CO 0.04 -0.88 1.31 1.03 -0.10 0.00 0.00 175.22 176.62 1i33 s ARG 249 N 1.29 4.30 0.34 0.44 1.81 0.53 -0.55 118.95 127.11 1i33 s ARG 249 Ca 0.11 1.81 0.07 0.00 -1.72 0.00 0.00 55.73 56.00 1i33 s ARG 249 Cb -0.19 -3.61 -0.07 0.00 -0.45 0.00 0.00 34.95 30.64 1i33 s ARG 249 CO -0.18 -0.55 -0.04 0.14 -0.68 0.00 0.00 175.30 173.99 1i33 s VAL 250 N 2.53 1.84 -0.13 3.52 -7.23 0.14 -0.54 120.40 120.53 1i33 s VAL 250 Ca 0.60 -2.10 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 1i33 s VAL 250 Cb -0.27 -2.69 -0.22 0.00 0.56 0.00 0.00 36.38 33.76 1i33 s VAL 250 CO 0.23 -0.16 1.47 -2.65 -0.31 0.00 0.00 175.10 173.69 1i33 n PRO 251 N -0.75 0.28 -3.77 4.82 -0.02 -1.26 -2.66 135.00 131.64 1i33 n PRO 251 Ca -0.05 -0.96 -0.13 0.00 -2.02 0.00 0.00 63.50 60.35 1i33 n PRO 251 Cb 0.65 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 1i33 n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i33 s THR 252 N 5.96 -0.01 0.29 3.45 -4.23 -1.26 -5.00 115.64 114.84 1i33 s THR 252 Ca 0.45 0.04 0.32 0.00 -1.18 0.00 0.00 61.69 61.32 1i33 s THR 252 Cb 0.10 -0.38 0.34 0.00 1.34 0.00 0.00 72.50 73.91 1i33 s THR 252 CO 0.20 0.02 2.05 1.55 -0.54 0.00 0.00 174.62 177.89 1i33 h PRO 253 N 6.19 0.00 -1.97 3.99 0.13 -1.87 -1.21 132.00 137.25 1i33 h PRO 253 Ca -0.30 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1i33 h PRO 253 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1i33 h PRO 253 CO 0.35 0.08 0.61 0.34 -0.23 0.00 0.00 178.00 179.15 1i33 s ASP 254 N -5.83 -0.28 0.00 1.44 2.15 -1.26 -4.81 116.67 108.08 1i33 s ASP 254 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1i33 s ASP 254 Cb 0.11 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 1i33 s ASP 254 CO 0.55 -0.47 0.00 0.52 -0.17 0.00 0.00 175.17 175.60 1i33 n VAL 255 N -0.18 -1.29 -4.46 1.11 0.31 -1.26 -4.88 118.33 107.67 1i33 n VAL 255 Ca -0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1i33 n VAL 255 Cb 0.60 -1.36 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 1i33 n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1i33 s SER 256 N 0.00 2.75 0.03 4.52 0.01 -0.51 -4.08 113.70 116.41 1i33 s SER 256 Ca 0.00 -1.30 0.03 0.00 1.31 0.00 0.00 55.95 55.99 1i33 s SER 256 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1i33 s SER 256 CO 0.00 -0.47 -0.09 0.54 0.41 0.00 0.00 173.24 173.62 1i33 s VAL 257 N -3.09 0.72 -0.10 3.43 0.11 -0.20 -2.07 120.40 119.19 1i33 s VAL 257 Ca 0.33 -0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1i33 s VAL 257 Cb 0.07 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1i33 s VAL 257 CO 0.14 -0.10 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.03 1i33 s VAL 258 N -0.83 3.45 -0.45 2.04 1.01 0.76 -1.27 120.40 125.11 1i33 s VAL 258 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1i33 s VAL 258 Cb -0.07 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 34.00 1i33 s VAL 258 CO 0.01 0.55 0.23 -0.62 0.00 0.00 0.00 175.10 175.26 1i33 s ASP 259 N -0.17 5.00 -0.20 3.32 2.15 0.11 -1.61 116.67 125.28 1i33 s ASP 259 Ca 0.01 -2.38 -0.13 0.00 0.43 0.00 0.00 52.55 50.48 1i33 s ASP 259 Cb -0.13 -1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 40.68 1i33 s ASP 259 CO 0.03 -0.42 0.28 -0.22 -0.17 0.00 0.00 175.17 174.66 1i33 s LEU 260 N 0.62 4.18 -0.26 -1.34 2.96 -0.19 -0.69 118.68 123.95 1i33 s LEU 260 Ca 0.12 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1i33 s LEU 260 Cb -0.22 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.21 1i33 s LEU 260 CO -0.04 0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.04 1i33 s THR 261 N 0.87 2.13 0.23 3.68 2.01 -0.79 0.44 115.64 124.21 1i33 s THR 261 Ca 0.14 -1.62 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1i33 s THR 261 Cb -0.13 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1i33 s THR 261 CO 0.05 -0.04 0.08 0.72 -0.69 0.00 0.00 174.62 174.73 1i33 s PHE 262 N 1.12 1.41 -0.16 4.92 -0.71 0.28 -1.15 117.98 123.68 1i33 s PHE 262 Ca -0.08 -1.17 0.00 0.00 -1.04 0.00 0.00 56.93 54.63 1i33 s PHE 262 Cb -0.20 -0.81 0.00 0.00 -1.21 0.00 0.00 43.02 40.81 1i33 s PHE 262 CO -0.05 -0.35 -0.15 0.50 -1.34 0.00 0.00 175.22 173.83 1i33 s ARG 263 N -4.02 3.19 0.69 1.99 3.52 -0.83 -0.16 118.95 123.32 1i33 s ARG 263 Ca 0.35 -0.75 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 1i33 s ARG 263 Cb 0.07 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1i33 s ARG 263 CO 0.11 -0.04 1.08 0.00 -0.81 0.00 0.00 175.30 175.64 1i33 s ALA 264 N 0.95 2.51 0.05 6.12 0.00 -0.48 -1.19 121.76 129.72 1i33 s ALA 264 Ca -0.03 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1i33 s ALA 264 Cb -0.15 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 1i33 s ALA 264 CO -0.02 -1.34 1.04 1.15 0.00 0.00 0.00 175.76 176.59 1i33 h THR 265 N -0.49 1.38 -3.65 0.00 2.02 -1.62 -3.43 112.91 107.13 1i33 h THR 265 Ca -0.45 -3.08 -0.51 0.00 0.77 0.00 0.00 66.41 63.14 1i33 h THR 265 Cb 1.23 2.76 -0.20 0.00 -1.74 0.00 0.00 68.15 70.20 1i33 h THR 265 CO 0.55 0.84 -0.80 0.00 0.37 0.00 0.00 175.52 176.47 1i33 s ARG 266 N -2.66 1.14 0.29 6.66 1.70 -1.26 -5.07 118.95 119.75 1i33 s ARG 266 Ca -0.03 -1.25 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 1i33 s ARG 266 Cb 0.08 -1.26 -0.12 0.00 -0.57 0.00 0.00 34.95 33.08 1i33 s ARG 266 CO 0.84 0.27 1.54 -0.25 -1.08 0.00 0.00 175.30 176.62 1i33 n ASP 267 N 0.74 3.57 -0.14 -2.89 8.00 -1.26 -4.86 116.55 119.70 1i33 n ASP 267 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1i33 n ASP 267 Cb 0.55 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1i33 n ASP 267 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1i33 n THR 268 N 1.95 0.00 -3.98 -3.53 5.66 -0.13 -5.04 114.28 109.21 1i33 n THR 268 Ca 0.09 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 1i33 n THR 268 Cb 0.36 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.04 1i33 n THR 268 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1i33 s SER 269 N 1.32 0.28 0.47 1.09 1.04 -1.26 -3.95 113.70 112.69 1i33 s SER 269 Ca 0.00 -0.69 0.14 0.00 0.48 0.00 0.00 55.95 55.88 1i33 s SER 269 Cb 0.00 0.21 1.08 0.00 0.10 0.00 0.00 66.02 67.41 1i33 s SER 269 CO 0.00 -0.53 2.05 -0.29 0.98 0.00 0.00 173.24 175.45 1i33 h ILE 270 N 3.55 1.08 -0.48 -1.02 6.09 -1.94 -1.30 117.51 123.49 1i33 h ILE 270 Ca -0.33 -0.38 -0.10 0.00 -1.37 0.00 0.00 64.86 62.68 1i33 h ILE 270 Cb 1.18 1.16 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 1i33 h ILE 270 CO 0.55 0.11 -0.10 1.56 -3.07 0.00 0.00 178.15 177.20 1i33 h GLN 271 N 0.05 0.88 0.46 2.19 7.50 -1.97 0.14 115.11 124.35 1i33 h GLN 271 Ca 0.01 -0.30 -0.02 0.00 0.50 0.00 0.00 58.65 58.84 1i33 h GLN 271 Cb 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1i33 h GLN 271 CO 0.01 0.94 -0.22 0.93 -1.50 0.00 0.00 178.83 178.99 1i33 h GLU 272 N 0.79 -0.59 -0.45 1.46 5.08 -1.68 -1.09 114.58 118.10 1i33 h GLU 272 Ca 0.13 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1i33 h GLU 272 Cb 0.62 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1i33 h GLU 272 CO 0.04 -0.38 0.16 0.82 -1.00 0.00 0.00 179.01 178.65 1i33 h ILE 273 N -0.65 0.85 -0.24 3.13 2.04 -1.25 -1.02 117.51 120.37 1i33 h ILE 273 Ca -0.06 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1i33 h ILE 273 Cb 0.49 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1i33 h ILE 273 CO 0.10 0.06 -0.13 -0.78 0.00 0.00 0.00 178.15 177.40 1i33 h ASP 274 N 0.32 -0.43 -0.62 1.72 3.58 -0.56 -1.26 116.42 119.18 1i33 h ASP 274 Ca 0.21 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1i33 h ASP 274 Cb 0.21 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1i33 h ASP 274 CO -0.22 -0.17 0.31 0.11 -2.88 0.00 0.00 179.24 176.40 1i33 h LYS 275 N -0.11 0.88 0.32 0.28 1.57 -0.68 -2.36 116.57 116.47 1i33 h LYS 275 Ca 0.13 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i33 h LYS 275 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1i33 h LYS 275 CO -0.31 0.69 -0.28 0.00 -0.57 0.00 0.00 179.45 178.98 1i33 h ALA 276 N 1.14 -0.61 -0.43 3.86 0.00 -0.59 0.47 119.26 123.10 1i33 h ALA 276 Ca 0.22 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1i33 h ALA 276 Cb 0.09 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1i33 h ALA 276 CO -0.03 -0.87 -0.13 0.82 0.00 0.00 0.00 179.25 179.03 1i33 h ILE 277 N -0.62 0.52 -0.75 0.00 2.04 -1.17 0.28 117.51 117.81 1i33 h ILE 277 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1i33 h ILE 277 Cb 0.55 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1i33 h ILE 277 CO -0.03 0.00 0.45 0.11 0.00 0.00 0.00 178.15 178.68 1i33 h LYS 278 N -0.03 0.83 0.46 2.37 1.57 -1.14 -0.03 116.57 120.59 1i33 h LYS 278 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1i33 h LYS 278 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i33 h LYS 278 CO -0.46 0.55 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.53 1i33 h LYS 279 N 0.85 -0.60 -0.51 3.15 3.11 0.44 -2.44 116.57 120.57 1i33 h LYS 279 Ca 0.32 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.33 1i33 h LYS 279 Cb 0.13 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1i33 h LYS 279 CO -0.16 -0.33 0.36 0.00 -2.81 0.00 0.00 179.45 176.51 1i33 h ALA 280 N -0.29 2.30 0.00 5.00 0.00 -0.24 0.20 119.26 126.23 1i33 h ALA 280 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1i33 h ALA 280 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i33 h ALA 280 CO 0.10 -0.44 -0.14 0.00 0.00 0.00 0.00 179.25 178.78 1i33 h ALA 281 N 1.75 1.00 -0.01 0.00 0.00 -0.66 -0.52 119.26 120.81 1i33 h ALA 281 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i33 h ALA 281 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1i33 h ALA 281 CO -0.03 0.17 -0.48 1.04 0.00 0.00 0.00 179.25 179.95 1i33 n GLN 282 N -3.25 0.89 0.00 0.00 6.02 0.63 -3.43 117.38 118.24 1i33 n GLN 282 Ca 0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 1i33 n GLN 282 Cb 0.41 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1i33 n GLN 282 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1i33 n THR 283 N -0.46 0.00 0.82 5.09 -2.24 -0.87 -4.78 114.28 111.84 1i33 n THR 283 Ca 0.09 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.91 1i33 n THR 283 Cb 0.41 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.85 1i33 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i33 n TYR 284 N 0.00 0.00 -0.03 4.78 4.11 -1.21 -2.03 117.16 122.78 1i33 n TYR 284 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1i33 n TYR 284 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1i33 n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1i33 n MET 285 N -0.77 4.73 -1.53 -3.48 2.81 -0.23 -5.03 117.12 113.61 1i33 n MET 285 Ca 0.05 -0.06 -0.55 0.00 -1.81 0.00 0.00 57.70 55.34 1i33 n MET 285 Cb 0.02 -0.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.99 1i33 n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1i33 n LYS 286 N -0.69 0.53 0.00 0.03 4.81 -0.86 -0.18 118.16 121.79 1i33 n LYS 286 Ca 0.00 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1i33 n LYS 286 Cb 0.01 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1i33 n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i33 n GLY 287 N 1.94 2.93 0.11 3.14 0.00 -1.26 -4.75 105.19 107.29 1i33 n GLY 287 Ca 0.19 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1i33 n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i33 n ILE 288 N 0.00 1.52 -4.54 -0.61 2.08 0.75 -4.37 119.36 114.19 1i33 n ILE 288 Ca 0.00 -0.09 -0.33 0.00 0.56 0.00 0.00 62.75 62.88 1i33 n ILE 288 Cb 0.00 -2.06 -0.13 0.00 -0.75 0.00 0.00 39.64 36.70 1i33 n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1i33 s LEU 289 N -7.81 3.10 0.30 1.39 0.20 -0.34 -0.36 118.68 115.16 1i33 s LEU 289 Ca -0.30 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.38 1i33 s LEU 289 Cb 0.08 -1.72 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 1i33 s LEU 289 CO 0.50 0.20 0.10 -0.83 -0.29 0.00 0.00 176.35 176.02 1i33 s GLY 290 N 0.18 2.00 0.33 7.98 0.00 0.10 -4.37 107.32 113.53 1i33 s GLY 290 Ca -0.03 -1.84 0.05 0.00 0.00 0.00 0.00 44.72 42.90 1i33 s GLY 290 CO 0.03 -1.70 0.31 -0.11 0.00 0.00 0.00 173.10 171.64 1i33 s PHE 291 N -3.52 1.62 -0.28 1.90 -0.71 -1.26 0.16 117.98 115.89 1i33 s PHE 291 Ca 0.35 -1.59 -0.19 0.00 -1.04 0.00 0.00 56.93 54.46 1i33 s PHE 291 Cb 0.07 -0.60 0.08 0.00 -1.21 0.00 0.00 43.02 41.36 1i33 s PHE 291 CO 0.15 -0.91 0.73 -0.08 -1.34 0.00 0.00 175.22 173.76 1i33 s THR 292 N -3.39 0.00 -2.64 -4.49 -1.32 -0.45 -4.84 115.64 98.52 1i33 s THR 292 Ca 0.39 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.11 1i33 s THR 292 Cb 0.02 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.38 1i33 s THR 292 CO 0.26 0.00 1.44 0.47 -2.21 0.00 0.00 174.62 174.58 1i33 n ASP 293 N 3.74 2.63 -4.93 8.08 8.00 -1.26 -2.12 116.55 130.69 1i33 n ASP 293 Ca -0.18 -1.86 -0.26 0.00 0.71 0.00 0.00 54.79 53.21 1i33 n ASP 293 Cb 0.58 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1i33 n ASP 293 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i33 s GLU 294 N -1.82 3.33 -1.39 -1.24 2.02 -1.26 -4.74 118.70 113.60 1i33 s GLU 294 Ca 0.34 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 1i33 s GLU 294 Cb 0.21 -2.46 0.09 0.00 0.10 0.00 0.00 34.13 32.06 1i33 s GLU 294 CO 0.31 -0.22 2.17 0.39 0.02 0.00 0.00 175.26 177.93 1i33 n GLU 295 N -2.17 3.40 -2.97 1.61 -0.58 -1.26 -4.84 120.64 113.84 1i33 n GLU 295 Ca 0.00 -3.02 -0.25 0.00 -0.42 0.00 0.00 57.16 53.48 1i33 n GLU 295 Cb 0.56 -3.03 0.00 0.00 -0.57 0.00 0.00 31.44 28.40 1i33 n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i33 s LEU 296 N 0.66 3.74 0.16 -4.62 1.43 -1.26 -5.11 118.68 113.68 1i33 s LEU 296 Ca 0.47 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1i33 s LEU 296 Cb 0.13 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1i33 s LEU 296 CO -0.05 -0.54 -0.13 0.68 0.23 0.00 0.00 176.35 176.55 1i33 s VAL 297 N -2.56 1.41 0.15 -1.59 -7.23 -1.26 -5.02 120.40 104.30 1i33 s VAL 297 Ca 0.45 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1i33 s VAL 297 Cb -0.10 -1.84 0.24 0.00 0.56 0.00 0.00 36.38 35.23 1i33 s VAL 297 CO 0.40 -0.62 0.87 -1.54 -0.31 0.00 0.00 175.10 173.90 1i33 n SER 298 N -0.09 -0.22 0.20 4.85 3.41 -1.26 0.84 113.62 121.34 1i33 n SER 298 Ca -0.11 0.96 0.18 0.00 -0.26 0.00 0.00 58.87 59.64 1i33 n SER 298 Cb 0.60 -0.28 0.83 0.00 -0.26 0.00 0.00 64.21 65.09 1i33 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i33 h ALA 299 N 1.06 1.78 0.00 7.33 0.00 -1.96 -0.65 119.26 126.83 1i33 h ALA 299 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i33 h ALA 299 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1i33 h ALA 299 CO -0.57 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.05 1i33 n ASP 300 N -3.63 0.00 -0.77 0.00 8.00 0.25 -2.88 116.55 117.52 1i33 n ASP 300 Ca 0.02 0.50 0.10 0.00 0.71 0.00 0.00 54.79 56.12 1i33 n ASP 300 Cb 0.39 -0.50 0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1i33 n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1i33 n PHE 301 N -1.50 0.00 -1.65 1.24 3.72 -0.25 -4.91 117.46 114.11 1i33 n PHE 301 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 1i33 n PHE 301 Cb 0.24 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1i33 n PHE 301 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1i33 s ILE 302 N -1.73 3.01 0.00 4.37 1.01 -1.14 -1.00 121.20 125.71 1i33 s ILE 302 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1i33 s ILE 302 Cb 0.17 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1i33 s ILE 302 CO 0.28 -0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.80 1i33 n ASN 303 N 8.47 -2.02 -4.54 3.58 3.02 -1.26 -5.03 115.26 117.48 1i33 n ASN 303 Ca 0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1i33 n ASN 303 Cb 0.42 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 1i33 n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i33 s ASP 304 N -2.86 6.32 -0.15 6.41 -1.08 -0.17 -4.96 116.67 120.16 1i33 s ASP 304 Ca 0.00 -0.14 0.04 0.00 -0.52 0.00 0.00 52.55 51.93 1i33 s ASP 304 Cb 0.00 -2.28 0.32 0.00 -1.46 0.00 0.00 42.92 39.49 1i33 s ASP 304 CO 0.00 -0.56 1.24 -0.46 0.52 0.00 0.00 175.17 175.91 1i33 n ASN 305 N 5.86 3.20 -4.76 -0.34 2.04 -1.26 -4.08 115.26 115.93 1i33 n ASN 305 Ca -0.04 -2.57 -0.38 0.00 -0.44 0.00 0.00 54.58 51.16 1i33 n ASN 305 Cb 0.48 -0.62 -0.06 0.00 -2.53 0.00 0.00 39.78 37.06 1i33 n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1i33 s ARG 306 N -1.56 4.23 0.26 -3.83 3.00 -1.26 -4.77 118.95 115.02 1i33 s ARG 306 Ca 0.24 0.45 -0.02 0.00 0.00 0.00 0.00 55.73 56.41 1i33 s ARG 306 Cb 0.19 -3.37 0.55 0.00 0.00 0.00 0.00 34.95 32.33 1i33 s ARG 306 CO 0.06 0.32 1.70 0.77 0.00 0.00 0.00 175.30 178.15 1i33 h SER 307 N 6.08 0.21 -2.93 0.23 0.02 -0.90 -3.41 113.55 112.85 1i33 h SER 307 Ca -0.44 0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.49 1i33 h SER 307 Cb 1.19 0.14 -0.29 0.00 0.14 0.00 0.00 62.40 63.58 1i33 h SER 307 CO 0.71 0.02 -0.42 -0.55 -1.14 0.00 0.00 176.83 175.45 1i33 s SER 308 N -5.26 -0.13 -0.34 3.07 0.15 -0.95 -4.09 113.70 106.15 1i33 s SER 308 Ca -0.12 0.77 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 1i33 s SER 308 Cb 0.22 0.85 0.08 0.00 -1.71 0.00 0.00 66.02 65.47 1i33 s SER 308 CO 0.77 -0.21 0.07 0.54 1.20 0.00 0.00 173.24 175.60 1i33 s VAL 309 N 2.04 2.83 0.26 4.45 0.11 -0.30 -0.72 120.40 129.07 1i33 s VAL 309 Ca -0.04 -1.87 -0.31 0.00 -2.93 0.00 0.00 61.98 56.83 1i33 s VAL 309 Cb -0.11 -2.85 -0.12 0.00 -1.53 0.00 0.00 36.38 31.77 1i33 s VAL 309 CO -0.11 -0.42 1.64 0.00 -3.33 0.00 0.00 175.10 172.89 1i33 n TYR 310 N 4.50 2.78 -3.17 1.54 9.36 0.42 -0.81 117.16 131.77 1i33 n TYR 310 Ca -0.05 0.18 -0.45 0.00 3.32 0.00 0.00 57.90 60.89 1i33 n TYR 310 Cb 0.42 -2.62 -0.04 0.00 -0.63 0.00 0.00 39.34 36.47 1i33 n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1i33 s ASP 311 N 0.76 6.24 0.04 2.98 -1.08 0.04 -1.34 116.67 124.32 1i33 s ASP 311 Ca 0.69 -1.64 -0.28 0.00 -0.52 0.00 0.00 52.55 50.80 1i33 s ASP 311 Cb -0.51 -2.27 -0.15 0.00 -1.46 0.00 0.00 42.92 38.52 1i33 s ASP 311 CO 0.42 -1.01 1.40 -1.28 0.52 0.00 0.00 175.17 175.22 1i33 h SER 312 N 9.00 -0.86 -0.04 -0.34 0.87 -1.72 -2.41 113.55 118.06 1i33 h SER 312 Ca -0.25 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1i33 h SER 312 Cb 1.09 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.21 1i33 h SER 312 CO 1.06 -0.60 -0.54 0.11 -0.53 0.00 0.00 176.83 176.33 1i33 h LYS 313 N -1.03 -0.62 -1.12 2.24 1.79 -1.85 0.31 116.57 116.29 1i33 h LYS 313 Ca -0.10 0.04 0.32 0.00 -2.18 0.00 0.00 60.65 58.73 1i33 h LYS 313 Cb 0.77 0.14 -0.11 0.00 -1.58 0.00 0.00 32.23 31.46 1i33 h LYS 313 CO 0.17 -0.42 0.71 0.00 -1.08 0.00 0.00 179.45 178.84 1i33 h ALA 314 N -0.37 2.36 0.12 3.86 0.00 -1.91 0.15 119.26 123.46 1i33 h ALA 314 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i33 h ALA 314 Cb 0.71 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1i33 h ALA 314 CO -0.38 -0.84 -0.06 1.15 0.00 0.00 0.00 179.25 179.12 1i33 h THR 315 N 0.30 0.26 -0.26 0.00 2.02 -0.37 -3.09 112.91 111.77 1i33 h THR 315 Ca 0.67 -1.03 0.08 0.00 0.77 0.00 0.00 66.41 66.89 1i33 h THR 315 Cb 1.82 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1i33 h THR 315 CO -0.35 0.08 0.27 -0.07 0.37 0.00 0.00 175.52 175.82 1i33 h LEU 316 N -1.02 0.00 -0.33 2.58 3.38 0.14 -1.56 115.31 118.49 1i33 h LEU 316 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1i33 h LEU 316 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i33 h LEU 316 CO 0.03 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.12 1i33 n GLN 317 N -3.84 0.51 -1.71 1.13 6.02 0.45 -4.44 117.38 115.50 1i33 n GLN 317 Ca 0.03 -0.33 -0.06 0.00 -0.01 0.00 0.00 57.00 56.63 1i33 n GLN 317 Cb 0.41 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.26 1i33 n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1i33 n ASN 318 N -0.95 2.67 -4.52 1.08 3.02 -0.59 -5.05 115.26 110.92 1i33 n ASN 318 Ca 0.09 -3.14 -0.25 0.00 -0.03 0.00 0.00 54.58 51.25 1i33 n ASN 318 Cb 0.36 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 1i33 n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i33 s ASN 319 N -3.28 3.36 0.07 6.41 0.01 -1.24 -4.92 114.94 115.35 1i33 s ASN 319 Ca 0.39 -1.27 -0.31 0.00 -0.71 0.00 0.00 52.86 50.97 1i33 s ASN 319 Cb 0.38 -0.28 -0.07 0.00 0.41 0.00 0.00 41.25 41.68 1i33 s ASN 319 CO -0.04 -0.36 1.50 -0.76 -1.51 0.00 0.00 177.10 175.93 1i33 s LEU 320 N -3.58 4.35 0.23 0.60 1.43 -1.26 -4.91 118.68 115.54 1i33 s LEU 320 Ca 0.33 2.34 -0.08 0.00 -1.03 0.00 0.00 54.13 55.69 1i33 s LEU 320 Cb 0.06 -3.57 0.37 0.00 0.03 0.00 0.00 46.19 43.07 1i33 s LEU 320 CO 0.16 -0.77 1.33 -0.81 0.23 0.00 0.00 176.35 176.49 1i33 n PRO 321 N 4.98 -0.09 -0.36 1.29 -0.04 -1.26 -2.00 135.00 137.52 1i33 n PRO 321 Ca 0.14 1.33 0.08 0.00 -0.04 0.00 0.00 63.50 65.01 1i33 n PRO 321 Cb 0.42 -1.99 0.17 0.00 -0.04 0.00 0.00 33.50 32.06 1i33 n PRO 321 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i33 n GLY 322 N -1.52 4.98 3.74 0.55 0.00 -1.26 -5.00 105.19 106.68 1i33 n GLY 322 Ca 0.13 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1i33 n GLY 322 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i33 s GLU 323 N -3.03 2.79 0.00 1.61 2.56 -0.85 -4.94 118.70 116.84 1i33 s GLU 323 Ca 0.35 1.90 0.00 0.00 0.00 0.00 0.00 54.97 57.22 1i33 s GLU 323 Cb 0.33 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.56 1i33 s GLU 323 CO -0.02 -1.37 0.30 1.63 -0.56 0.00 0.00 175.26 175.23 1i33 n LYS 324 N -1.75 0.34 0.03 4.30 5.02 -1.25 -4.53 118.16 120.31 1i33 n LYS 324 Ca 0.14 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1i33 n LYS 324 Cb 0.49 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 1i33 n LYS 324 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i33 n ARG 325 N -0.13 0.00 -2.49 1.97 5.12 -1.26 -0.95 116.66 118.91 1i33 n ARG 325 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1i33 n ARG 325 Cb 0.06 -0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.33 1i33 n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1i33 s PHE 326 N -2.00 2.61 0.24 -1.55 2.19 -1.26 -1.38 117.98 116.82 1i33 s PHE 326 Ca 0.00 0.67 0.05 0.00 0.33 0.00 0.00 56.93 57.98 1i33 s PHE 326 Cb 0.00 -4.40 -0.05 0.00 -1.31 0.00 0.00 43.02 37.26 1i33 s PHE 326 CO 0.00 -1.61 -0.05 -0.06 1.83 0.00 0.00 175.22 175.33 1i33 s PHE 327 N 4.96 1.70 -0.14 10.12 0.08 0.77 -4.81 117.98 130.67 1i33 s PHE 327 Ca 0.53 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 1i33 s PHE 327 Cb -0.10 -0.94 0.04 0.00 -0.57 0.00 0.00 43.02 41.45 1i33 s PHE 327 CO 0.32 0.15 -0.01 0.21 -0.10 0.00 0.00 175.22 175.79 1i33 s LYS 328 N -3.77 0.92 -0.12 0.44 2.20 -1.26 -0.56 119.74 117.59 1i33 s LYS 328 Ca 0.27 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1i33 s LYS 328 Cb 0.04 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.66 1i33 s LYS 328 CO 0.09 -0.45 -0.09 0.08 -0.36 0.00 0.00 175.35 174.63 1i33 s VAL 329 N 1.82 3.48 -0.12 4.02 1.01 0.17 -4.85 120.40 125.93 1i33 s VAL 329 Ca 0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1i33 s VAL 329 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1i33 s VAL 329 CO -0.07 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 1i33 s VAL 330 N 0.07 3.77 -0.09 2.92 1.01 -1.26 -1.03 120.40 125.79 1i33 s VAL 330 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1i33 s VAL 330 Cb -0.14 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1i33 s VAL 330 CO 0.04 0.54 0.31 -0.55 0.00 0.00 0.00 175.10 175.43 1i33 s SER 331 N -0.10 -0.29 0.58 3.32 0.15 -0.63 -0.78 113.70 115.95 1i33 s SER 331 Ca 0.02 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.25 1i33 s SER 331 Cb -0.13 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 1i33 s SER 331 CO 0.03 -0.18 0.80 0.26 1.20 0.00 0.00 173.24 175.34 1i33 s TRP 332 N -0.16 1.60 0.00 3.44 0.52 0.01 -0.17 118.94 124.18 1i33 s TRP 332 Ca -0.03 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.47 1i33 s TRP 332 Cb -0.03 -2.35 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 1i33 s TRP 332 CO 0.01 -1.15 0.00 2.48 0.02 0.00 0.00 176.95 178.31 1i33 n TYR 333 N -2.29 0.00 -2.58 -1.98 4.11 -0.88 -1.15 117.16 112.40 1i33 n TYR 333 Ca 0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.63 1i33 n TYR 333 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.93 1i33 n TYR 333 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1i33 s ASP 334 N 0.00 6.59 0.43 9.48 -1.08 -1.26 -1.42 116.67 129.40 1i33 s ASP 334 Ca 0.00 -1.72 0.31 0.00 -0.52 0.00 0.00 52.55 50.62 1i33 s ASP 334 Cb 0.00 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.37 1i33 s ASP 334 CO 0.00 -1.41 1.58 -0.55 0.52 0.00 0.00 175.17 175.30 1i33 h ASN 335 N 9.22 0.22 0.00 -0.34 -1.07 -1.91 -2.05 115.58 119.65 1i33 h ASN 335 Ca 0.26 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1i33 h ASN 335 Cb 0.98 0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1i33 h ASN 335 CO 1.43 -0.30 -0.03 -0.33 0.07 0.00 0.00 177.43 178.27 1i33 h GLU 336 N 0.00 0.00 -0.32 4.14 5.08 -1.97 -3.35 114.58 118.16 1i33 h GLU 336 Ca 0.88 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 59.27 1i33 h GLU 336 Cb 2.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.95 1i33 h GLU 336 CO -0.52 0.00 -0.32 2.35 -1.00 0.00 0.00 179.01 179.52 1i33 h TRP 337 N -0.13 -1.00 0.02 4.33 2.91 -1.86 -2.15 115.95 118.08 1i33 h TRP 337 Ca 0.00 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.08 1i33 h TRP 337 Cb 0.03 0.48 -0.03 0.00 -0.51 0.00 0.00 29.16 29.13 1i33 h TRP 337 CO -0.01 -0.26 -0.30 0.00 -1.03 0.00 0.00 178.44 176.84 1i33 h ALA 338 N -0.48 -0.76 -0.93 2.65 0.00 -1.52 -1.88 119.26 116.33 1i33 h ALA 338 Ca 0.05 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1i33 h ALA 338 Cb 0.31 0.74 -0.16 0.00 0.00 0.00 0.00 17.79 18.68 1i33 h ALA 338 CO -0.39 -0.85 0.21 -0.92 0.00 0.00 0.00 179.25 177.30 1i33 h TYR 339 N -0.39 0.28 -0.38 0.00 3.20 -1.67 0.59 116.97 118.61 1i33 h TYR 339 Ca 0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1i33 h TYR 339 Cb 0.41 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1i33 h TYR 339 CO -0.43 -0.32 0.14 0.77 -1.64 0.00 0.00 178.16 176.68 1i33 h SER 340 N 0.12 0.17 -0.88 -2.11 0.02 -0.68 -1.13 113.55 109.05 1i33 h SER 340 Ca 0.60 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1i33 h SER 340 Cb 1.29 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 1i33 h SER 340 CO -0.76 0.13 0.55 0.45 -1.14 0.00 0.00 176.83 176.06 1i33 h HIS 341 N 0.31 1.15 -0.61 3.45 3.86 0.73 -2.26 115.15 121.78 1i33 h HIS 341 Ca 0.17 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1i33 h HIS 341 Cb 0.14 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1i33 h HIS 341 CO -0.14 0.75 0.30 0.00 0.86 0.00 0.00 177.93 179.70 1i33 h ARG 342 N 1.22 0.87 -0.53 2.45 2.47 -0.36 -1.10 114.38 119.41 1i33 h ARG 342 Ca 0.32 -0.13 0.10 0.00 -1.26 0.00 0.00 59.98 59.01 1i33 h ARG 342 Cb -0.08 -0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 28.01 1i33 h ARG 342 CO -0.06 0.70 0.08 0.28 0.56 0.00 0.00 179.97 181.52 1i33 h VAL 343 N 0.83 0.66 0.11 2.04 2.07 -0.66 0.92 116.25 122.23 1i33 h VAL 343 Ca 0.21 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1i33 h VAL 343 Cb 0.11 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1i33 h VAL 343 CO -0.03 0.04 -0.11 0.58 0.02 0.00 0.00 177.57 178.07 1i33 h VAL 344 N 0.20 0.76 -0.59 2.57 2.07 -1.17 -1.83 116.25 118.27 1i33 h VAL 344 Ca 0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.91 1i33 h VAL 344 Cb 0.39 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1i33 h VAL 344 CO -0.37 0.00 0.07 0.44 0.02 0.00 0.00 177.57 177.73 1i33 h ASP 345 N -0.23 -0.12 -0.43 0.57 3.32 -0.06 -0.60 116.42 118.88 1i33 h ASP 345 Ca 0.01 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1i33 h ASP 345 Cb 0.23 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1i33 h ASP 345 CO -0.03 -0.05 0.24 0.25 -1.72 0.00 0.00 179.24 177.93 1i33 h LEU 346 N 0.19 0.37 0.13 1.55 5.85 -0.50 0.66 115.31 123.56 1i33 h LEU 346 Ca 0.31 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1i33 h LEU 346 Cb 0.48 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1i33 h LEU 346 CO -0.45 0.27 -0.16 0.58 -0.34 0.00 0.00 178.44 178.34 1i33 h VAL 347 N 0.48 0.63 -0.80 1.05 2.07 -0.34 0.18 116.25 119.52 1i33 h VAL 347 Ca 0.18 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1i33 h VAL 347 Cb 0.04 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1i33 h VAL 347 CO -0.10 0.00 0.41 0.03 0.02 0.00 0.00 177.57 177.94 1i33 h ARG 348 N -0.34 0.64 -0.14 1.57 3.08 -0.73 0.24 114.38 118.69 1i33 h ARG 348 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1i33 h ARG 348 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1i33 h ARG 348 CO -0.06 0.42 0.07 -0.92 -1.07 0.00 0.00 179.97 178.41 1i33 h TYR 349 N 0.66 0.20 -0.33 3.04 3.20 -0.25 0.77 116.97 124.26 1i33 h TYR 349 Ca 0.41 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.28 1i33 h TYR 349 Cb 0.48 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1i33 h TYR 349 CO -0.09 0.24 0.18 0.52 -1.64 0.00 0.00 178.16 177.37 1i33 h MET 350 N 0.11 0.36 -0.15 1.82 2.86 0.36 -0.61 114.93 119.68 1i33 h MET 350 Ca 0.05 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1i33 h MET 350 Cb 0.11 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1i33 h MET 350 CO -0.01 0.24 -0.04 0.00 1.06 0.00 0.00 176.91 178.16 1i33 h ALA 351 N 1.16 0.10 -0.25 6.32 0.00 -0.30 0.74 119.26 127.03 1i33 h ALA 351 Ca 0.13 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1i33 h ALA 351 Cb 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1i33 h ALA 351 CO -0.08 -0.48 0.10 0.00 0.00 0.00 0.00 179.25 178.79 1i33 h ALA 352 N 1.15 0.29 -0.29 0.00 0.00 -0.58 -1.01 119.26 118.82 1i33 h ALA 352 Ca 0.07 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1i33 h ALA 352 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1i33 h ALA 352 CO -0.16 -0.31 -0.49 -0.22 0.00 0.00 0.00 179.25 178.07 1i33 h LYS 353 N 0.22 0.81 -0.79 0.00 3.64 -0.76 -0.82 116.57 118.87 1i33 h LYS 353 Ca 0.11 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1i33 h LYS 353 Cb 0.06 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1i33 h LYS 353 CO -0.10 1.11 0.43 -0.44 -2.27 0.00 0.00 179.45 178.19 1i33 h ASP 354 N 0.63 0.99 0.23 4.20 3.32 0.70 -2.34 116.42 124.15 1i33 h ASP 354 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1i33 h ASP 354 Cb 1.08 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1i33 h ASP 354 CO 0.11 0.80 -0.11 0.00 -1.72 0.00 0.00 179.24 178.32 1i33 h ALA 355 N 1.23 -0.31 -0.33 3.45 0.00 -1.05 -3.14 119.26 119.10 1i33 h ALA 355 Ca 0.28 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1i33 h ALA 355 Cb 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1i33 h ALA 355 CO -0.04 -0.55 -0.37 0.00 0.00 0.00 0.00 179.25 178.29 1i33 h ALA 356 N 0.15 -0.33 0.00 0.00 0.00 -1.01 0.38 119.26 118.45 1i33 h ALA 356 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i33 h ALA 356 Cb 0.41 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i33 h ALA 356 CO 0.05 -0.80 0.00 -1.13 0.00 0.00 0.00 179.25 177.37 1i33 n SER 357 N -5.42 0.00 0.00 0.00 3.41 -0.89 -5.10 113.62 105.62 1i33 n SER 357 Ca -0.01 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1i33 n SER 357 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1i33 n SER 357 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68