#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i45 s ARG 3 N 0.00 4.29 0.07 0.00 0.52 -1.26 -4.98 118.95 117.59 1i45 s ARG 3 Ca 0.00 1.83 -0.31 0.00 -0.52 0.00 0.00 55.73 56.74 1i45 s ARG 3 Cb 0.00 -3.62 -0.06 0.00 0.52 0.00 0.00 34.95 31.79 1i45 s ARG 3 CO 0.00 -0.57 1.23 0.99 0.02 0.00 0.00 175.30 176.97 1i45 s THR 4 N 2.59 3.93 0.13 0.02 2.01 -1.26 -4.95 115.64 118.10 1i45 s THR 4 Ca 0.60 1.38 -0.34 0.00 0.31 0.00 0.00 61.69 63.65 1i45 s THR 4 Cb -0.28 -3.89 -0.14 0.00 0.01 0.00 0.00 72.50 68.21 1i45 s THR 4 CO 0.23 0.10 1.61 0.33 -0.69 0.00 0.00 174.62 176.21 1i45 n PHE 5 N 3.96 2.27 -4.09 4.92 7.35 -1.26 -4.83 117.46 125.78 1i45 n PHE 5 Ca 0.09 0.24 -0.30 0.00 -0.76 0.00 0.00 57.45 56.73 1i45 n PHE 5 Cb 0.46 -2.55 -0.17 0.00 0.35 0.00 0.00 39.48 37.57 1i45 n PHE 5 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1i45 s PHE 6 N 1.29 2.10 -0.26 -5.13 2.19 -0.57 -0.88 117.98 116.72 1i45 s PHE 6 Ca 0.81 -1.15 0.02 0.00 0.33 0.00 0.00 56.93 56.94 1i45 s PHE 6 Cb -0.69 -1.55 0.06 0.00 -1.31 0.00 0.00 43.02 39.53 1i45 s PHE 6 CO 0.40 -0.63 -0.10 0.08 1.83 0.00 0.00 175.22 176.80 1i45 s VAL 7 N 1.41 2.29 -0.04 3.12 1.01 0.63 -1.55 120.40 127.28 1i45 s VAL 7 Ca 0.03 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1i45 s VAL 7 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1i45 s VAL 7 CO -0.09 -0.03 0.20 -0.83 0.00 0.00 0.00 175.10 174.35 1i45 s GLY 8 N 1.13 2.20 -0.33 4.51 0.00 0.21 -1.27 107.32 113.77 1i45 s GLY 8 Ca -0.08 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1i45 s GLY 8 CO -0.05 -0.49 0.02 -0.32 0.00 0.00 0.00 173.10 172.27 1i45 s GLY 9 N -1.59 1.88 -0.66 0.20 0.00 0.92 -0.52 107.32 107.56 1i45 s GLY 9 Ca 0.24 -2.38 -0.22 0.00 0.00 0.00 0.00 44.72 42.36 1i45 s GLY 9 CO 0.14 0.87 0.95 0.21 0.00 0.00 0.00 173.10 175.26 1i45 s ASN 10 N 0.97 6.18 0.57 1.64 2.47 -0.04 0.61 114.94 127.35 1i45 s ASN 10 Ca 0.07 -1.06 0.35 0.00 0.42 0.00 0.00 52.86 52.64 1i45 s ASN 10 Cb -0.19 -2.41 1.67 0.00 -1.45 0.00 0.00 41.25 38.87 1i45 s ASN 10 CO -0.07 -1.41 2.11 -0.26 -3.72 0.00 0.00 177.10 173.75 1i45 h PHE 11 N 9.52 0.00 -0.13 0.43 -1.00 -1.68 -3.41 116.94 120.67 1i45 h PHE 11 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1i45 h PHE 11 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1i45 h PHE 11 CO 0.96 0.04 0.00 1.63 -1.61 0.00 0.00 178.31 179.33 1i45 n LYS 12 N -3.23 0.00 -2.25 1.51 5.02 -1.26 -3.44 118.16 114.52 1i45 n LYS 12 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1i45 n LYS 12 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1i45 n LYS 12 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1i45 n LEU 13 N 0.00 6.42 -3.73 -0.35 7.94 -1.26 -4.42 117.00 121.60 1i45 n LEU 13 Ca 0.00 -4.42 -0.10 0.00 -1.11 0.00 0.00 56.01 50.38 1i45 n LEU 13 Cb 0.00 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.32 1i45 n LEU 13 CO 0.00 1.13 0.06 0.20 -1.11 0.00 0.00 177.39 177.66 1i45 s ASN 14 N 2.05 -0.12 0.00 1.96 0.01 -1.22 -5.14 114.94 112.48 1i45 s ASN 14 Ca 0.43 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1i45 s ASN 14 Cb 0.09 0.40 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1i45 s ASN 14 CO -0.02 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.44 1i45 n GLY 15 N 0.11 2.70 3.27 0.66 0.00 -1.26 -4.58 105.19 106.08 1i45 n GLY 15 Ca -0.17 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1i45 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i45 s SER 16 N 0.00 0.14 0.26 1.61 1.04 -1.26 -5.00 113.70 110.49 1i45 s SER 16 Ca 0.00 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.06 1i45 s SER 16 Cb 0.00 0.42 0.29 0.00 0.10 0.00 0.00 66.02 66.84 1i45 s SER 16 CO 0.00 -0.90 1.93 0.11 0.98 0.00 0.00 173.24 175.36 1i45 h LYS 17 N 2.54 1.28 -0.17 4.02 1.57 -2.00 -1.01 116.57 122.80 1i45 h LYS 17 Ca -0.34 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1i45 h LYS 17 Cb 1.25 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1i45 h LYS 17 CO 0.49 0.85 -0.02 0.37 -0.57 0.00 0.00 179.45 180.57 1i45 h GLN 18 N 1.31 0.31 -0.31 3.15 5.75 -1.99 -1.54 115.11 121.80 1i45 h GLN 18 Ca 0.35 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1i45 h GLN 18 Cb -0.14 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1i45 h GLN 18 CO -0.08 0.56 -0.24 0.66 -2.65 0.00 0.00 178.83 177.08 1i45 h SER 19 N 0.04 0.60 0.34 -0.69 4.64 -1.91 -2.40 113.55 114.17 1i45 h SER 19 Ca 0.05 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1i45 h SER 19 Cb 0.43 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1i45 h SER 19 CO 0.01 0.83 -0.60 0.40 -0.87 0.00 0.00 176.83 176.61 1i45 h ILE 20 N 0.52 1.38 -0.82 0.95 2.04 -1.19 -1.64 117.51 118.76 1i45 h ILE 20 Ca 0.07 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 63.95 1i45 h ILE 20 Cb 0.70 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1i45 h ILE 20 CO 0.05 0.58 0.42 0.50 0.00 0.00 0.00 178.15 179.71 1i45 h LYS 21 N 0.19 1.16 -0.55 2.37 3.64 -1.00 -0.29 116.57 122.09 1i45 h LYS 21 Ca -0.00 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1i45 h LYS 21 Cb 1.10 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1i45 h LYS 21 CO 0.09 0.88 0.08 0.93 -2.27 0.00 0.00 179.45 179.16 1i45 h GLU 22 N 1.15 0.92 -0.37 1.90 5.08 -1.09 -0.04 114.58 122.13 1i45 h GLU 22 Ca 0.28 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1i45 h GLU 22 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1i45 h GLU 22 CO -0.04 0.89 0.21 0.82 -1.00 0.00 0.00 179.01 179.89 1i45 h ILE 23 N 0.81 1.13 -0.22 3.13 2.04 -0.77 -1.77 117.51 121.86 1i45 h ILE 23 Ca 0.17 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1i45 h ILE 23 Cb 0.42 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1i45 h ILE 23 CO 0.01 0.14 -0.36 0.58 0.00 0.00 0.00 178.15 178.52 1i45 h VAL 24 N 0.48 1.32 -0.21 1.67 2.07 -0.94 -2.57 116.25 118.07 1i45 h VAL 24 Ca 0.13 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1i45 h VAL 24 Cb 0.03 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1i45 h VAL 24 CO -0.02 0.49 -0.05 -0.33 0.02 0.00 0.00 177.57 177.67 1i45 h GLU 25 N 0.33 0.33 -0.51 1.57 5.08 -0.97 0.11 114.58 120.52 1i45 h GLU 25 Ca 0.02 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1i45 h GLU 25 Cb 0.95 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1i45 h GLU 25 CO 0.08 0.40 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.39 1i45 h ARG 26 N 0.32 0.91 -0.29 2.33 2.43 -1.24 -2.44 114.38 116.40 1i45 h ARG 26 Ca 0.07 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 1i45 h ARG 26 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1i45 h ARG 26 CO 0.01 0.94 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.16 1i45 h LEU 27 N 0.77 0.51 -1.34 3.80 3.38 -0.88 0.22 115.31 121.77 1i45 h LEU 27 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1i45 h LEU 27 Cb 0.54 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1i45 h LEU 27 CO 0.03 0.71 0.31 0.78 0.09 0.00 0.00 178.44 180.36 1i45 h ASN 28 N 0.47 0.68 0.07 -0.43 -0.26 -0.40 -3.01 115.58 112.69 1i45 h ASN 28 Ca 0.08 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1i45 h ASN 28 Cb 0.59 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1i45 h ASN 28 CO 0.04 0.54 -1.17 0.35 -1.06 0.00 0.00 177.43 176.14 1i45 n THR 29 N -4.40 0.02 -2.01 2.81 -2.24 -0.96 -4.92 114.28 102.58 1i45 n THR 29 Ca 0.05 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 1i45 n THR 29 Cb 0.09 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1i45 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i45 s ALA 30 N -3.12 2.82 -0.49 6.98 0.00 0.04 -4.98 121.76 123.01 1i45 s ALA 30 Ca 0.05 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 1i45 s ALA 30 Cb 0.16 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1i45 s ALA 30 CO 0.86 -1.06 0.65 0.45 0.00 0.00 0.00 175.76 176.66 1i45 s SER 31 N -1.24 6.25 0.14 0.00 0.15 -1.26 -5.01 113.70 112.74 1i45 s SER 31 Ca 0.70 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 56.68 1i45 s SER 31 Cb -0.34 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1i45 s SER 31 CO 0.40 -0.88 -0.11 0.27 1.20 0.00 0.00 173.24 174.12 1i45 s ILE 32 N 2.77 1.21 0.64 6.45 -4.36 -1.26 -4.95 121.20 121.70 1i45 s ILE 32 Ca 0.18 -1.97 -0.18 0.00 -0.26 0.00 0.00 60.65 58.42 1i45 s ILE 32 Cb -0.17 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 1i45 s ILE 32 CO 0.14 -0.66 1.02 -2.65 0.24 0.00 0.00 174.94 173.03 1i45 n PRO 33 N -0.01 0.83 0.08 0.37 -0.02 -1.26 -4.92 135.00 130.06 1i45 n PRO 33 Ca -0.12 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1i45 n PRO 33 Cb 0.60 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1i45 n PRO 33 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1i45 h GLU 34 N 0.29 0.32 -2.76 -0.52 4.81 -2.00 -3.35 114.58 111.36 1i45 h GLU 34 Ca -0.49 -0.36 -0.79 0.00 -0.13 0.00 0.00 59.36 57.59 1i45 h GLU 34 Cb 1.35 0.11 -0.23 0.00 0.63 0.00 0.00 28.75 30.61 1i45 h GLU 34 CO 0.50 1.06 1.31 -1.71 -0.73 0.00 0.00 179.01 179.44 1i45 n ASN 35 N -3.69 6.74 -3.90 1.04 5.15 -1.26 -4.89 115.26 114.45 1i45 n ASN 35 Ca -0.06 -3.41 -0.11 0.00 -0.60 0.00 0.00 54.58 50.41 1i45 n ASN 35 Cb 0.84 -1.29 -0.10 0.00 -0.53 0.00 0.00 39.78 38.70 1i45 n ASN 35 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1i45 s VAL 36 N -2.51 0.08 -0.21 3.44 0.11 -1.26 -4.34 120.40 115.71 1i45 s VAL 36 Ca 0.38 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1i45 s VAL 36 Cb 0.12 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1i45 s VAL 36 CO -0.01 -0.38 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.57 1i45 s GLU 37 N -1.27 3.01 -0.11 1.54 2.12 -0.06 -4.71 118.70 119.21 1i45 s GLU 37 Ca -0.14 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.37 1i45 s GLU 37 Cb -0.08 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 1i45 s GLU 37 CO 0.01 -0.28 -0.18 0.08 -0.54 0.00 0.00 175.26 174.35 1i45 s VAL 38 N 1.34 2.59 -0.25 3.70 1.01 0.58 -0.27 120.40 129.10 1i45 s VAL 38 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1i45 s VAL 38 Cb -0.15 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.27 1i45 s VAL 38 CO -0.08 0.54 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 1i45 s VAL 39 N 0.30 1.04 -0.01 2.92 1.01 -0.39 -1.05 120.40 124.22 1i45 s VAL 39 Ca -0.14 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 1i45 s VAL 39 Cb -0.17 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1i45 s VAL 39 CO 0.07 -0.35 0.62 0.27 0.00 0.00 0.00 175.10 175.71 1i45 s ILE 40 N 1.59 4.92 -0.55 2.22 -4.36 -0.79 -0.06 121.20 124.17 1i45 s ILE 40 Ca 0.02 1.30 0.04 0.00 -0.26 0.00 0.00 60.65 61.74 1i45 s ILE 40 Cb -0.18 -3.96 0.14 0.00 1.25 0.00 0.00 42.46 39.71 1i45 s ILE 40 CO -0.13 0.39 0.30 0.00 0.24 0.00 0.00 174.94 175.74 1i45 s PRO 42 N -0.41 2.23 0.74 0.00 0.04 -1.24 -2.02 135.00 134.34 1i45 s PRO 42 Ca 0.18 -0.28 -0.15 0.00 0.04 0.00 0.00 61.00 60.79 1i45 s PRO 42 Cb -0.23 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1i45 s PRO 42 CO -0.02 -1.20 1.22 -2.30 0.04 0.00 0.00 177.00 174.74 1i45 n PRO 43 N -2.88 0.56 -0.29 0.56 -0.02 -1.26 -4.42 135.00 127.25 1i45 n PRO 43 Ca 0.08 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1i45 n PRO 43 Cb 0.60 -2.46 0.39 0.00 -0.02 0.00 0.00 33.50 32.02 1i45 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i45 h ALA 44 N -0.32 1.88 -0.02 3.55 0.00 -1.96 -0.02 119.26 122.38 1i45 h ALA 44 Ca -0.48 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1i45 h ALA 44 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i45 h ALA 44 CO 0.49 -0.16 0.09 1.15 0.00 0.00 0.00 179.25 180.82 1i45 h THR 45 N 0.65 0.09 -0.23 0.00 2.02 -2.04 -2.24 112.91 111.16 1i45 h THR 45 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1i45 h THR 45 Cb 0.86 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1i45 h THR 45 CO -0.24 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.43 1i45 n TYR 46 N -3.18 0.31 0.22 3.16 0.53 -0.03 -4.75 117.16 113.41 1i45 n TYR 46 Ca -0.02 -0.46 -0.15 0.00 -1.02 0.00 0.00 57.90 56.25 1i45 n TYR 46 Cb 0.16 -0.03 -0.08 0.00 -1.03 0.00 0.00 39.34 38.36 1i45 n TYR 46 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1i45 h LEU 47 N 1.48 -0.42 0.15 7.72 3.38 -1.30 -0.81 115.31 125.51 1i45 h LEU 47 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1i45 h LEU 47 Cb 0.64 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1i45 h LEU 47 CO 0.00 -0.30 -0.17 -0.78 0.09 0.00 0.00 178.44 177.28 1i45 h ASP 48 N -0.49 -0.46 -0.48 -0.43 -0.00 -1.83 -1.70 116.42 111.04 1i45 h ASP 48 Ca -0.05 0.05 0.06 0.00 -0.00 0.00 0.00 57.03 57.09 1i45 h ASP 48 Cb 0.38 0.16 -0.05 0.00 -0.00 0.00 0.00 39.33 39.82 1i45 h ASP 48 CO 0.08 -0.25 0.17 0.22 -0.00 0.00 0.00 179.24 179.46 1i45 h TYR 49 N -0.36 0.30 -0.44 0.28 3.20 -1.87 -1.63 116.97 116.45 1i45 h TYR 49 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1i45 h TYR 49 Cb 0.35 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1i45 h TYR 49 CO -0.15 0.11 0.21 0.77 -1.64 0.00 0.00 178.16 177.46 1i45 h SER 50 N 0.35 0.31 -0.99 -2.11 0.02 -0.87 -2.03 113.55 108.23 1i45 h SER 50 Ca 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1i45 h SER 50 Cb 0.23 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1i45 h SER 50 CO -0.23 0.22 0.63 0.58 -1.14 0.00 0.00 176.83 176.90 1i45 h VAL 51 N 0.43 1.26 0.00 2.27 2.07 -0.83 -2.13 116.25 119.32 1i45 h VAL 51 Ca 0.19 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1i45 h VAL 51 Cb 0.10 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1i45 h VAL 51 CO -0.14 0.26 -0.13 0.77 0.02 0.00 0.00 177.57 178.35 1i45 h SER 52 N 1.35 0.00 0.80 0.57 4.64 -0.60 -3.03 113.55 117.27 1i45 h SER 52 Ca 0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 1i45 h SER 52 Cb -0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1i45 h SER 52 CO -0.07 0.13 -1.30 -0.07 -0.87 0.00 0.00 176.83 174.64 1i45 h LEU 53 N 0.00 0.00 -9.46 5.97 4.07 -0.95 -3.47 115.31 111.47 1i45 h LEU 53 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.42 1i45 h LEU 53 Cb 0.31 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.07 1i45 h LEU 53 CO 0.02 0.62 0.94 -0.69 -1.08 0.00 0.00 178.44 178.25 1i45 s VAL 54 N -2.89 3.13 -0.30 1.22 1.01 -0.99 -4.85 120.40 116.73 1i45 s VAL 54 Ca -0.02 0.61 0.16 0.00 0.00 0.00 0.00 61.98 62.74 1i45 s VAL 54 Cb 0.08 -3.39 0.48 0.00 0.00 0.00 0.00 36.38 33.55 1i45 s VAL 54 CO 0.80 0.01 1.09 0.29 0.00 0.00 0.00 175.10 177.29 1i45 n LYS 55 N 5.31 2.21 -3.75 2.72 4.76 -1.26 -5.03 118.16 123.11 1i45 n LYS 55 Ca 0.15 -3.71 -0.22 0.00 -2.87 0.00 0.00 58.31 51.66 1i45 n LYS 55 Cb 0.41 -1.75 -0.18 0.00 -1.84 0.00 0.00 35.03 31.67 1i45 n LYS 55 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i45 s LYS 56 N -3.58 0.39 0.27 1.97 2.47 -1.26 -4.90 119.74 115.09 1i45 s LYS 56 Ca 0.35 0.19 -0.01 0.00 -1.56 0.00 0.00 55.97 54.93 1i45 s LYS 56 Cb 0.38 -0.81 0.52 0.00 -1.46 0.00 0.00 37.83 36.45 1i45 s LYS 56 CO -0.02 -0.30 1.80 -1.35 0.16 0.00 0.00 175.35 175.63 1i45 h PRO 57 N 8.30 0.75 0.00 4.03 0.11 -1.99 -1.37 132.00 141.83 1i45 h PRO 57 Ca -0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1i45 h PRO 57 Cb 1.12 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1i45 h PRO 57 CO 0.24 0.50 0.00 1.04 -0.21 0.00 0.00 178.00 179.57 1i45 n GLN 58 N -4.76 0.01 -4.14 1.05 3.00 -1.26 -4.73 117.38 106.55 1i45 n GLN 58 Ca 0.17 0.25 -0.35 0.00 -0.01 0.00 0.00 57.00 57.07 1i45 n GLN 58 Cb 0.38 -1.52 -0.12 0.00 0.00 0.00 0.00 30.24 28.98 1i45 n GLN 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1i45 s VAL 59 N -3.02 3.93 0.35 5.09 1.01 -0.52 -0.31 120.40 126.93 1i45 s VAL 59 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1i45 s VAL 59 Cb 0.10 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1i45 s VAL 59 CO 0.28 0.44 0.07 0.42 0.00 0.00 0.00 175.10 176.31 1i45 s THR 60 N 0.86 1.05 0.02 3.92 -4.23 -0.21 -4.77 115.64 112.27 1i45 s THR 60 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1i45 s THR 60 Cb -0.14 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 1i45 s THR 60 CO 0.02 0.00 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.22 1i45 s VAL 61 N -3.28 2.72 0.10 2.29 1.01 -1.26 -1.89 120.40 120.11 1i45 s VAL 61 Ca 0.33 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1i45 s VAL 61 Cb 0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1i45 s VAL 61 CO 0.15 0.41 -0.08 -0.83 0.00 0.00 0.00 175.10 174.75 1i45 s GLY 62 N -1.20 0.83 0.44 4.51 0.00 -0.61 0.32 107.32 111.60 1i45 s GLY 62 Ca 0.13 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.58 1i45 s GLY 62 CO 0.03 -1.38 0.65 0.00 0.00 0.00 0.00 173.10 172.41 1i45 s ALA 63 N -3.06 3.80 -1.43 3.20 0.00 0.06 -3.71 121.76 120.63 1i45 s ALA 63 Ca 0.09 -1.09 0.25 0.00 0.00 0.00 0.00 51.96 51.21 1i45 s ALA 63 Cb 0.01 -2.10 0.52 0.00 0.00 0.00 0.00 23.12 21.56 1i45 s ALA 63 CO -0.02 -0.34 1.42 1.04 0.00 0.00 0.00 175.76 177.85 1i45 n GLN 64 N -2.04 0.48 0.00 0.00 6.02 -1.26 -0.61 117.38 119.98 1i45 n GLN 64 Ca 0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1i45 n GLN 64 Cb 0.58 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1i45 n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1i45 n ASN 65 N -0.99 0.00 -3.83 1.08 5.15 -1.23 -4.45 115.26 110.99 1i45 n ASN 65 Ca 0.09 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 1i45 n ASN 65 Cb 0.35 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.55 1i45 n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i45 s ALA 66 N -2.00 -0.59 0.73 5.20 0.00 -1.26 -4.66 121.76 119.18 1i45 s ALA 66 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1i45 s ALA 66 Cb 0.00 0.87 0.12 0.00 0.00 0.00 0.00 23.12 24.11 1i45 s ALA 66 CO 0.00 -0.76 1.01 -0.47 0.00 0.00 0.00 175.76 175.54 1i45 s TYR 67 N -3.92 1.94 -1.99 0.00 5.04 -0.46 -4.91 117.35 113.05 1i45 s TYR 67 Ca 0.13 -0.06 0.13 0.00 -2.44 0.00 0.00 57.07 54.83 1i45 s TYR 67 Cb 0.00 -3.15 0.36 0.00 0.35 0.00 0.00 41.96 39.52 1i45 s TYR 67 CO -0.01 -1.69 1.30 1.47 -1.34 0.00 0.00 175.55 175.28 1i45 n LEU 68 N -2.91 2.19 -4.13 6.97 -0.00 -1.26 -4.74 117.00 113.12 1i45 n LEU 68 Ca 0.13 -1.10 -0.13 0.00 -0.00 0.00 0.00 56.01 54.92 1i45 n LEU 68 Cb 0.60 -0.28 -0.11 0.00 -0.00 0.00 0.00 43.42 43.64 1i45 n LEU 68 CO 0.45 0.54 -0.40 -0.54 -0.00 0.00 0.00 177.39 177.44 1i45 s LYS 69 N -1.46 0.72 0.18 1.47 -0.14 -1.26 -4.88 119.74 114.37 1i45 s LYS 69 Ca 0.27 -1.05 0.12 0.00 -1.36 0.00 0.00 55.97 53.95 1i45 s LYS 69 Cb 0.14 -0.35 -0.08 0.00 -1.68 0.00 0.00 37.83 35.87 1i45 s LYS 69 CO 0.18 0.04 1.30 0.00 -0.76 0.00 0.00 175.35 176.12 1i45 h ALA 70 N 3.77 0.54 -2.99 5.17 0.00 -1.96 -3.43 119.26 120.35 1i45 h ALA 70 Ca -0.36 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 53.88 1i45 h ALA 70 Cb 1.19 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1i45 h ALA 70 CO 0.51 0.95 0.22 -1.54 0.00 0.00 0.00 179.25 179.39 1i45 s SER 71 N -6.50 -0.33 0.00 0.00 1.04 -1.26 -4.70 113.70 101.94 1i45 s SER 71 Ca 0.02 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1i45 s SER 71 Cb 0.09 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1i45 s SER 71 CO 0.78 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1i45 n GLY 72 N -0.44 0.91 2.69 7.32 0.00 -1.26 -4.94 105.19 109.46 1i45 n GLY 72 Ca -0.07 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1i45 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i45 n ALA 73 N -1.00 5.78 -3.23 4.61 0.00 -1.26 -4.66 120.51 120.75 1i45 n ALA 73 Ca 0.00 -3.87 -0.24 0.00 0.00 0.00 0.00 53.44 49.33 1i45 n ALA 73 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 19.45 15.91 1i45 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i45 n PHE 74 N 5.62 1.32 -1.62 0.00 3.72 -1.26 -5.10 117.46 120.14 1i45 n PHE 74 Ca 0.54 -3.82 -0.51 0.00 -0.05 0.00 0.00 57.45 53.61 1i45 n PHE 74 Cb 0.37 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 1i45 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1i45 n THR 75 N 0.89 0.05 0.00 4.37 -1.04 -1.26 -2.19 114.28 115.10 1i45 n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1i45 n THR 75 Cb 0.50 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1i45 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i45 n GLY 76 N 2.93 1.22 3.93 3.41 0.00 -1.26 -5.07 105.19 110.36 1i45 n GLY 76 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1i45 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i45 s GLU 77 N -0.75 2.67 0.11 1.61 0.41 -0.93 -5.10 118.70 116.73 1i45 s GLU 77 Ca 0.00 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.43 1i45 s GLU 77 Cb 0.00 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1i45 s GLU 77 CO 0.00 -0.85 0.05 -0.80 -0.49 0.00 0.00 175.26 173.17 1i45 s ASN 78 N -4.38 5.26 -0.04 -0.19 0.01 -1.26 -5.00 114.94 109.34 1i45 s ASN 78 Ca 0.56 -0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.62 1i45 s ASN 78 Cb -0.11 -1.31 -0.02 0.00 0.41 0.00 0.00 41.25 40.22 1i45 s ASN 78 CO 0.44 0.14 -0.22 -0.55 -1.51 0.00 0.00 177.10 175.40 1i45 s SER 79 N -2.60 3.40 0.47 -1.22 0.15 -1.26 -1.35 113.70 111.29 1i45 s SER 79 Ca 0.28 -0.39 0.19 0.00 0.70 0.00 0.00 55.95 56.73 1i45 s SER 79 Cb -0.11 -0.66 1.14 0.00 -1.71 0.00 0.00 66.02 64.68 1i45 s SER 79 CO 0.21 0.31 2.01 -0.37 1.20 0.00 0.00 173.24 176.59 1i45 h VAL 80 N 4.60 0.95 -0.24 4.45 -1.51 -1.85 -1.10 116.25 121.56 1i45 h VAL 80 Ca -0.41 -0.63 -0.14 0.00 -1.23 0.00 0.00 66.70 64.29 1i45 h VAL 80 Cb 1.15 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1i45 h VAL 80 CO 0.48 0.17 -0.42 0.44 -1.23 0.00 0.00 177.57 177.01 1i45 h ASP 81 N 0.00 0.62 0.27 4.19 3.45 -1.93 -1.09 116.42 121.93 1i45 h ASP 81 Ca -0.00 -0.28 -0.19 0.00 0.43 0.00 0.00 57.03 56.98 1i45 h ASP 81 Cb 0.34 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1i45 h ASP 81 CO 0.02 0.96 -0.78 1.56 -1.57 0.00 0.00 179.24 179.43 1i45 h GLN 82 N 0.47 0.41 -0.60 3.56 4.20 -1.73 0.53 115.11 121.95 1i45 h GLN 82 Ca 0.04 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1i45 h GLN 82 Cb 0.93 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1i45 h GLN 82 CO 0.08 1.01 0.33 0.82 -0.67 0.00 0.00 178.83 180.40 1i45 h ILE 83 N 0.27 1.19 -0.38 2.54 2.04 -1.06 -2.38 117.51 119.73 1i45 h ILE 83 Ca -0.04 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 1i45 h ILE 83 Cb 1.37 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1i45 h ILE 83 CO 0.13 0.21 -0.10 0.11 0.00 0.00 0.00 178.15 178.50 1i45 h LYS 84 N 0.81 0.74 -0.95 2.37 1.57 -1.03 -1.29 116.57 118.79 1i45 h LYS 84 Ca 0.21 -0.29 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1i45 h LYS 84 Cb 0.05 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1i45 h LYS 84 CO -0.03 0.89 0.60 0.22 -0.57 0.00 0.00 179.45 180.56 1i45 h ASP 85 N 0.54 0.67 -0.34 0.86 3.58 -0.47 -0.04 116.42 121.22 1i45 h ASP 85 Ca 0.09 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1i45 h ASP 85 Cb 0.62 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1i45 h ASP 85 CO 0.04 0.29 0.00 1.33 -2.88 0.00 0.00 179.24 178.02 1i45 n VAL 86 N -4.62 0.45 -0.34 2.25 0.24 -0.94 -4.92 118.33 110.46 1i45 n VAL 86 Ca 0.20 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1i45 n VAL 86 Cb 0.56 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1i45 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i45 n GLY 87 N 1.14 0.79 3.86 7.63 0.00 -0.03 -4.67 105.19 113.92 1i45 n GLY 87 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1i45 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i45 s ALA 88 N -2.18 3.13 0.00 4.61 0.00 -0.49 -4.73 121.76 122.09 1i45 s ALA 88 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1i45 s ALA 88 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1i45 s ALA 88 CO 0.00 -0.41 0.00 1.63 0.00 0.00 0.00 175.76 176.98 1i45 n LYS 89 N -2.07 6.20 -4.26 0.00 4.76 0.15 -4.21 118.16 118.74 1i45 n LYS 89 Ca 0.05 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 1i45 n LYS 89 Cb 0.54 -0.50 -0.10 0.00 -1.84 0.00 0.00 35.03 33.14 1i45 n LYS 89 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1i45 s TYR 90 N -0.99 1.39 -0.16 2.13 1.51 -1.11 -1.19 117.35 118.93 1i45 s TYR 90 Ca 0.00 -1.39 -0.10 0.00 -1.01 0.00 0.00 57.07 54.57 1i45 s TYR 90 Cb 0.00 -0.69 0.05 0.00 -0.11 0.00 0.00 41.96 41.21 1i45 s TYR 90 CO 0.00 -0.60 0.40 0.54 -1.11 0.00 0.00 175.55 174.78 1i45 s VAL 91 N -3.89 -0.02 -0.07 0.71 0.11 -0.63 -0.76 120.40 115.85 1i45 s VAL 91 Ca 0.38 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.25 1i45 s VAL 91 Cb 0.06 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1i45 s VAL 91 CO 0.16 0.03 0.79 -0.63 -3.33 0.00 0.00 175.10 172.12 1i45 s ILE 92 N 1.03 4.97 -0.01 7.04 1.01 0.22 -1.47 121.20 134.00 1i45 s ILE 92 Ca -0.07 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.25 1i45 s ILE 92 Cb -0.07 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1i45 s ILE 92 CO -0.09 0.18 -0.14 -0.76 0.00 0.00 0.00 174.94 174.14 1i45 s LEU 93 N 1.15 2.03 -0.02 2.97 1.43 -0.48 -3.47 118.68 122.28 1i45 s LEU 93 Ca 0.41 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1i45 s LEU 93 Cb -0.18 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1i45 s LEU 93 CO 0.19 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1i45 n GLY 94 N 2.73 0.44 3.66 -3.19 0.00 -1.26 -0.93 105.19 106.64 1i45 n GLY 94 Ca -0.14 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1i45 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1i45 n HIS 95 N -2.99 1.70 -0.07 1.61 -0.00 -1.26 -4.44 115.22 109.76 1i45 n HIS 95 Ca -0.00 0.53 0.16 0.00 0.46 0.00 0.00 57.72 58.88 1i45 n HIS 95 Cb 0.01 -2.31 0.58 0.00 -0.12 0.00 0.00 29.99 28.15 1i45 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1i45 h SER 96 N 1.84 0.21 0.56 0.26 4.64 -1.94 0.42 113.55 119.56 1i45 h SER 96 Ca -0.46 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1i45 h SER 96 Cb 1.31 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1i45 h SER 96 CO 0.59 0.12 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.08 1i45 h GLU 97 N 0.23 0.00 0.04 4.77 5.08 -1.99 -1.39 114.58 121.32 1i45 h GLU 97 Ca 0.29 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.34 1i45 h GLU 97 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1i45 h GLU 97 CO -0.06 0.25 -1.76 0.00 -1.00 0.00 0.00 179.01 176.44 1i45 h ARG 98 N 0.00 0.08 -0.10 2.33 3.08 -1.29 -2.44 114.38 116.04 1i45 h ARG 98 Ca -0.00 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1i45 h ARG 98 Cb 0.60 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1i45 h ARG 98 CO 0.03 0.72 -0.36 0.00 -1.07 0.00 0.00 179.97 179.29 1i45 h ARG 99 N 0.02 0.21 0.00 0.04 3.08 -1.13 -2.24 114.38 114.37 1i45 h ARG 99 Ca -0.31 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1i45 h ARG 99 Cb 2.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.06 1i45 h ARG 99 CO 0.09 0.55 0.00 -1.13 -1.07 0.00 0.00 179.97 178.41 1i45 n SER 100 N -4.07 0.00 -0.10 7.04 3.41 -0.54 -3.59 113.62 115.77 1i45 n SER 100 Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1i45 n SER 100 Cb 0.44 -0.50 0.28 0.00 -0.26 0.00 0.00 64.21 64.17 1i45 n SER 100 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1i45 h TYR 101 N 0.00 0.75 -0.31 7.33 0.99 -1.61 -3.03 116.97 121.08 1i45 h TYR 101 Ca 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1i45 h TYR 101 Cb 0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 37.49 1i45 h TYR 101 CO 0.00 0.55 0.00 1.19 -0.00 0.00 0.00 178.16 179.90 1i45 n PHE 102 N -4.37 1.14 -4.33 4.88 3.72 -1.02 -5.00 117.46 112.48 1i45 n PHE 102 Ca 0.05 -0.88 -0.32 0.00 -0.05 0.00 0.00 57.45 56.24 1i45 n PHE 102 Cb 0.13 -0.35 -0.10 0.00 -0.94 0.00 0.00 39.48 38.22 1i45 n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1i45 n HIS 103 N -0.36 -1.23 -2.93 1.38 8.25 -1.07 -4.89 115.22 114.37 1i45 n HIS 103 Ca 0.23 0.61 -0.43 0.00 -0.26 0.00 0.00 57.72 57.88 1i45 n HIS 103 Cb 0.95 -2.63 -0.05 0.00 1.12 0.00 0.00 29.99 29.38 1i45 n HIS 103 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1i45 s GLU 104 N -7.31 3.57 0.85 -0.41 2.02 -0.87 -5.00 118.70 111.54 1i45 s GLU 104 Ca 0.12 0.11 -0.13 0.00 0.02 0.00 0.00 54.97 55.10 1i45 s GLU 104 Cb -0.07 -3.88 0.11 0.00 0.10 0.00 0.00 34.13 30.38 1i45 s GLU 104 CO 0.99 -1.03 1.21 0.16 0.02 0.00 0.00 175.26 176.61 1i45 s ASP 105 N 2.04 4.16 0.24 -0.19 1.47 -1.26 -4.42 116.67 118.71 1i45 s ASP 105 Ca 0.32 0.68 -0.05 0.00 1.18 0.00 0.00 52.55 54.68 1i45 s ASP 105 Cb -0.12 -1.07 0.46 0.00 -0.34 0.00 0.00 42.92 41.85 1i45 s ASP 105 CO 0.21 -2.11 1.70 0.44 0.68 0.00 0.00 175.17 176.09 1i45 h ASP 106 N -1.20 0.10 0.25 2.11 3.45 -1.96 -1.61 116.42 117.56 1i45 h ASP 106 Ca -0.46 0.13 -0.13 0.00 0.43 0.00 0.00 57.03 57.00 1i45 h ASP 106 Cb 1.31 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 40.23 1i45 h ASP 106 CO 0.60 0.01 -0.52 0.50 -1.57 0.00 0.00 179.24 178.25 1i45 h LYS 107 N 0.32 0.30 -0.45 3.56 3.64 -1.93 -1.51 116.57 120.50 1i45 h LYS 107 Ca 0.41 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1i45 h LYS 107 Cb 0.69 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1i45 h LYS 107 CO -0.47 0.75 0.29 0.35 -2.27 0.00 0.00 179.45 178.10 1i45 h PHE 108 N 0.23 0.57 -0.50 1.91 3.57 -1.67 0.28 116.94 121.33 1i45 h PHE 108 Ca 0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1i45 h PHE 108 Cb 1.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1i45 h PHE 108 CO 0.02 0.36 0.10 0.82 -2.23 0.00 0.00 178.31 177.39 1i45 h ILE 109 N 0.60 1.24 -0.21 1.41 1.08 -1.27 -1.22 117.51 119.14 1i45 h ILE 109 Ca 0.16 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1i45 h ILE 109 Cb -0.06 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1i45 h ILE 109 CO -0.03 0.32 0.14 0.00 -0.69 0.00 0.00 178.15 177.88 1i45 h ALA 110 N 0.98 0.27 -0.92 1.87 0.00 -0.67 -0.15 119.26 120.63 1i45 h ALA 110 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i45 h ALA 110 Cb 0.36 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1i45 h ALA 110 CO 0.01 -0.26 0.60 -0.44 0.00 0.00 0.00 179.25 179.15 1i45 h ASP 111 N 0.28 1.07 -0.46 0.00 3.45 -0.28 -1.83 116.42 118.65 1i45 h ASP 111 Ca 0.08 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.39 1i45 h ASP 111 Cb -0.03 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.45 1i45 h ASP 111 CO -0.02 0.79 -0.11 0.11 -1.57 0.00 0.00 179.24 178.44 1i45 h LYS 112 N 1.25 0.94 -0.18 3.56 1.57 -0.85 -2.45 116.57 120.41 1i45 h LYS 112 Ca 0.33 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1i45 h LYS 112 Cb -0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1i45 h LYS 112 CO -0.07 0.99 0.04 1.15 -0.57 0.00 0.00 179.45 181.00 1i45 h THR 113 N 0.84 1.20 -0.48 -0.16 2.02 -0.57 -0.80 112.91 114.96 1i45 h THR 113 Ca 0.13 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1i45 h THR 113 Cb 0.65 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1i45 h THR 113 CO 0.04 0.20 0.30 0.50 0.37 0.00 0.00 175.52 176.93 1i45 h LYS 114 N 0.09 0.60 -0.09 6.66 3.64 -1.34 -1.77 116.57 124.37 1i45 h LYS 114 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1i45 h LYS 114 Cb 0.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1i45 h LYS 114 CO 0.00 0.39 0.05 0.35 -2.27 0.00 0.00 179.45 177.97 1i45 h PHE 115 N 0.61 0.12 -0.12 1.91 3.57 -1.30 -1.18 116.94 120.54 1i45 h PHE 115 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1i45 h PHE 115 Cb -0.03 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1i45 h PHE 115 CO -0.05 0.15 -0.04 0.00 -2.23 0.00 0.00 178.31 176.14 1i45 h ALA 116 N 0.96 0.07 -0.83 2.41 0.00 -0.96 -1.66 119.26 119.26 1i45 h ALA 116 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1i45 h ALA 116 Cb 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1i45 h ALA 116 CO -0.00 -0.49 0.55 -0.07 0.00 0.00 0.00 179.25 179.23 1i45 h LEU 117 N -0.01 0.91 -1.59 0.00 3.38 -1.26 -0.83 115.31 115.91 1i45 h LEU 117 Ca 0.06 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1i45 h LEU 117 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1i45 h LEU 117 CO -0.13 0.64 -0.22 1.23 0.09 0.00 0.00 178.44 180.05 1i45 h GLY 118 N 1.07 0.00 -0.83 0.83 0.00 -0.49 -1.39 103.07 102.25 1i45 h GLY 118 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1i45 h GLY 118 CO -0.08 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.40 1i45 n GLN 119 N -3.85 1.75 -1.90 4.80 1.13 -0.59 -4.92 117.38 113.80 1i45 n GLN 119 Ca -0.02 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.92 1i45 n GLN 119 Cb 0.31 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1i45 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i45 n GLY 120 N 1.15 0.48 3.32 1.08 0.00 -0.52 -5.00 105.19 105.69 1i45 n GLY 120 Ca 0.17 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1i45 n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i45 s VAL 121 N -2.03 2.78 0.67 1.61 1.01 -0.42 -5.01 120.40 119.00 1i45 s VAL 121 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1i45 s VAL 121 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1i45 s VAL 121 CO 0.00 0.53 1.17 -0.83 0.00 0.00 0.00 175.10 175.97 1i45 s GLY 122 N 0.41 2.39 -0.07 4.51 0.00 -0.34 -3.39 107.32 110.83 1i45 s GLY 122 Ca -0.12 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1i45 s GLY 122 CO 0.06 1.18 -0.18 0.14 0.00 0.00 0.00 173.10 174.30 1i45 s VAL 123 N -2.00 1.54 -0.71 1.40 1.01 -0.69 -1.61 120.40 119.35 1i45 s VAL 123 Ca 0.72 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1i45 s VAL 123 Cb -0.26 -1.36 0.18 0.00 0.00 0.00 0.00 36.38 34.94 1i45 s VAL 123 CO 0.40 0.44 0.63 -0.63 0.00 0.00 0.00 175.10 175.95 1i45 s ILE 124 N 0.43 5.17 -0.22 2.22 1.01 -0.54 -1.47 121.20 127.80 1i45 s ILE 124 Ca -0.14 -2.25 -0.27 0.00 0.00 0.00 0.00 60.65 57.98 1i45 s ILE 124 Cb -0.16 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1i45 s ILE 124 CO 0.05 -0.95 0.94 -0.22 0.00 0.00 0.00 174.94 174.76 1i45 s LEU 125 N 0.56 4.11 -0.12 2.97 2.96 -0.18 -1.39 118.68 127.59 1i45 s LEU 125 Ca 0.13 1.25 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1i45 s LEU 125 Cb -0.17 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1i45 s LEU 125 CO -0.05 -0.57 0.10 0.00 -1.32 0.00 0.00 176.35 174.51 1i45 s ILE 127 N -0.77 0.14 0.00 0.00 -4.36 -0.63 -4.59 121.20 110.99 1i45 s ILE 127 Ca 0.13 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1i45 s ILE 127 Cb -0.12 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.84 1i45 s ILE 127 CO 0.03 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.18 1i45 n GLY 128 N -0.04 3.61 3.80 6.27 0.00 -1.26 0.06 105.19 117.63 1i45 n GLY 128 Ca -0.10 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1i45 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i45 s GLU 129 N -1.98 2.95 0.75 1.61 1.03 -1.24 -4.86 118.70 116.97 1i45 s GLU 129 Ca 0.00 -0.76 -0.09 0.00 0.03 0.00 0.00 54.97 54.15 1i45 s GLU 129 Cb 0.00 -2.72 0.07 0.00 -0.80 0.00 0.00 34.13 30.68 1i45 s GLU 129 CO 0.00 0.53 1.10 0.95 -1.33 0.00 0.00 175.26 176.50 1i45 s THR 130 N -1.59 2.21 0.18 1.83 -4.23 -1.26 -2.77 115.64 110.01 1i45 s THR 130 Ca 0.31 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 1i45 s THR 130 Cb -0.11 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.78 1i45 s THR 130 CO 0.23 -0.03 1.81 0.25 -0.54 0.00 0.00 174.62 176.34 1i45 h LEU 131 N -0.82 0.50 -0.56 4.79 5.85 -1.97 0.18 115.31 123.28 1i45 h LEU 131 Ca -0.45 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1i45 h LEU 131 Cb 1.32 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1i45 h LEU 131 CO 0.63 0.35 0.28 -0.33 -0.34 0.00 0.00 178.44 179.04 1i45 h GLU 132 N 0.62 0.53 -0.22 1.25 3.07 -1.98 0.21 114.58 118.05 1i45 h GLU 132 Ca 0.22 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 1i45 h GLU 132 Cb 0.05 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1i45 h GLU 132 CO -0.11 0.35 -0.33 0.93 -1.40 0.00 0.00 179.01 178.44 1i45 h GLU 133 N 0.54 0.45 0.14 2.33 5.08 -1.78 -1.94 114.58 119.41 1i45 h GLU 133 Ca 0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1i45 h GLU 133 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1i45 h GLU 133 CO -0.18 0.73 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.28 1i45 h LYS 134 N 0.39 -0.19 -0.30 2.33 1.63 0.35 0.93 116.57 121.71 1i45 h LYS 134 Ca 0.05 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1i45 h LYS 134 Cb 0.77 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1i45 h LYS 134 CO 0.06 0.10 0.13 0.87 -3.45 0.00 0.00 179.45 177.15 1i45 h LYS 135 N -0.46 0.42 0.00 1.90 1.57 -0.57 -0.45 116.57 118.97 1i45 h LYS 135 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1i45 h LYS 135 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1i45 h LYS 135 CO 0.03 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 1i45 n ALA 136 N -2.49 2.50 -2.63 3.86 0.00 -0.74 -4.86 120.51 116.15 1i45 n ALA 136 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1i45 n ALA 136 Cb 0.12 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.34 1i45 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i45 n GLY 137 N 0.62 -0.31 1.10 0.00 0.00 -0.18 -4.91 105.19 101.51 1i45 n GLY 137 Ca 0.11 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1i45 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i45 n LYS 138 N -3.06 3.25 -0.10 1.61 4.76 0.31 -4.72 118.16 120.20 1i45 n LYS 138 Ca -0.14 -2.62 -0.10 0.00 -2.87 0.00 0.00 58.31 52.58 1i45 n LYS 138 Cb 0.62 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1i45 n LYS 138 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1i45 h THR 139 N 2.80 0.16 -0.55 -0.18 2.02 -1.84 0.75 112.91 116.06 1i45 h THR 139 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1i45 h THR 139 Cb 1.23 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1i45 h THR 139 CO 0.16 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 1i45 h LEU 140 N -0.33 0.96 -0.90 2.58 3.38 -1.95 -2.28 115.31 116.77 1i45 h LEU 140 Ca 0.14 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1i45 h LEU 140 Cb 0.58 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1i45 h LEU 140 CO -0.53 1.04 0.59 0.44 0.09 0.00 0.00 178.44 180.07 1i45 h ASP 141 N 0.89 1.02 0.21 -0.43 5.19 -1.70 -0.55 116.42 121.04 1i45 h ASP 141 Ca 0.16 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1i45 h ASP 141 Cb 0.57 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1i45 h ASP 141 CO 0.03 0.73 -0.10 0.58 -3.12 0.00 0.00 179.24 177.36 1i45 h VAL 142 N 1.20 0.88 -0.41 -1.35 2.07 -0.63 -1.11 116.25 116.89 1i45 h VAL 142 Ca 0.34 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1i45 h VAL 142 Cb -0.11 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1i45 h VAL 142 CO -0.08 0.15 0.08 -0.37 0.02 0.00 0.00 177.57 177.36 1i45 h VAL 143 N -0.63 1.20 -0.48 2.57 -1.51 -1.34 -0.65 116.25 115.40 1i45 h VAL 143 Ca -0.03 -0.72 -0.13 0.00 -1.23 0.00 0.00 66.70 64.59 1i45 h VAL 143 Cb 0.45 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1i45 h VAL 143 CO 0.05 0.26 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.11 1i45 h GLU 144 N 0.61 1.00 -0.33 5.19 5.08 -1.09 -0.30 114.58 124.73 1i45 h GLU 144 Ca 0.14 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1i45 h GLU 144 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1i45 h GLU 144 CO 0.00 1.10 0.12 -0.09 -1.00 0.00 0.00 179.01 179.15 1i45 h ARG 145 N 0.85 0.49 -0.53 2.33 2.43 -0.71 0.20 114.38 119.44 1i45 h ARG 145 Ca 0.11 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1i45 h ARG 145 Cb 0.79 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1i45 h ARG 145 CO 0.07 0.50 0.31 1.96 -1.51 0.00 0.00 179.97 181.30 1i45 h GLN 146 N 0.38 0.73 -0.33 0.20 4.20 -1.00 -2.22 115.11 117.06 1i45 h GLN 146 Ca 0.11 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 1i45 h GLN 146 Cb 0.20 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1i45 h GLN 146 CO -0.01 0.55 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.21 1i45 h LEU 147 N 0.72 0.95 -0.80 1.46 3.38 -0.90 -3.18 115.31 116.94 1i45 h LEU 147 Ca 0.19 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1i45 h LEU 147 Cb 0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1i45 h LEU 147 CO -0.03 1.25 0.47 0.78 0.09 0.00 0.00 178.44 181.00 1i45 h ASN 148 N 0.67 0.72 -0.67 -0.43 -0.26 -0.40 0.09 115.58 115.29 1i45 h ASN 148 Ca 0.04 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1i45 h ASN 148 Cb 1.02 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 38.11 1i45 h ASN 148 CO 0.10 0.45 0.39 0.00 -1.06 0.00 0.00 177.43 177.31 1i45 h ALA 149 N 1.40 0.89 -0.48 -0.83 0.00 -1.39 -1.90 119.26 116.95 1i45 h ALA 149 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1i45 h ALA 149 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1i45 h ALA 149 CO -0.19 0.09 -0.17 0.28 0.00 0.00 0.00 179.25 179.26 1i45 h VAL 150 N 0.73 1.27 0.00 0.00 2.07 -1.28 -2.77 116.25 116.27 1i45 h VAL 150 Ca 0.29 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1i45 h VAL 150 Cb 0.13 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1i45 h VAL 150 CO -0.16 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.81 1i45 h LEU 151 N 0.82 0.00 -1.02 2.57 3.38 -0.31 0.31 115.31 121.07 1i45 h LEU 151 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1i45 h LEU 151 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1i45 h LEU 151 CO 0.06 0.01 -0.39 -0.33 0.09 0.00 0.00 178.44 177.87 1i45 h GLU 152 N 0.00 0.00 0.00 1.13 4.39 -1.06 -3.32 114.58 115.71 1i45 h GLU 152 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1i45 h GLU 152 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1i45 h GLU 152 CO 0.00 0.39 -1.54 0.39 -1.16 0.00 0.00 179.01 177.09 1i45 n GLU 153 N -3.65 1.10 -4.61 2.33 -0.58 -0.30 -4.99 120.64 109.94 1i45 n GLU 153 Ca -0.01 -0.06 -0.32 0.00 -0.42 0.00 0.00 57.16 56.35 1i45 n GLU 153 Cb 0.49 -1.25 -0.17 0.00 -0.57 0.00 0.00 31.44 29.95 1i45 n GLU 153 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1i45 s VAL 154 N -2.54 1.96 -0.06 2.62 1.01 0.95 -4.81 120.40 119.54 1i45 s VAL 154 Ca -0.04 -0.92 0.15 0.00 0.00 0.00 0.00 61.98 61.17 1i45 s VAL 154 Cb 0.05 -1.74 -0.23 0.00 0.00 0.00 0.00 36.38 34.46 1i45 s VAL 154 CO 0.42 0.53 0.27 0.29 0.00 0.00 0.00 175.10 176.60 1i45 n LYS 155 N 4.12 0.78 -3.94 2.72 4.76 -1.26 -4.33 118.16 121.01 1i45 n LYS 155 Ca -0.20 -0.11 -0.35 0.00 -2.87 0.00 0.00 58.31 54.79 1i45 n LYS 155 Cb 0.51 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.18 1i45 n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1i45 s ASP 156 N -4.11 4.28 -0.20 4.39 3.68 -1.26 -4.98 116.67 118.47 1i45 s ASP 156 Ca -0.06 -0.73 0.15 0.00 2.13 0.00 0.00 52.55 54.04 1i45 s ASP 156 Cb 0.09 -1.68 0.74 0.00 -1.45 0.00 0.00 42.92 40.62 1i45 s ASP 156 CO 0.65 -0.10 1.66 0.49 0.13 0.00 0.00 175.17 178.00 1i45 n PHE 157 N 4.71 1.74 -0.32 -5.34 3.01 -1.26 -4.61 117.46 115.39 1i45 n PHE 157 Ca -0.17 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.57 1i45 n PHE 157 Cb 0.48 -0.41 0.13 0.00 -0.01 0.00 0.00 39.48 39.67 1i45 n PHE 157 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1i45 h THR 158 N 3.61 1.08 -0.87 4.37 2.02 -1.96 -1.88 112.91 119.28 1i45 h THR 158 Ca 0.00 -0.35 -0.39 0.00 0.77 0.00 0.00 66.41 66.44 1i45 h THR 158 Cb 1.76 -0.04 -0.23 0.00 -1.74 0.00 0.00 68.15 67.90 1i45 h THR 158 CO 0.38 0.19 0.49 -3.20 0.37 0.00 0.00 175.52 173.75 1i45 n ASN 159 N -4.58 4.16 -4.28 4.18 4.05 -1.26 -4.93 115.26 112.59 1i45 n ASN 159 Ca 0.12 -3.40 -0.25 0.00 0.45 0.00 0.00 54.58 51.50 1i45 n ASN 159 Cb 0.15 -0.79 -0.13 0.00 1.23 0.00 0.00 39.78 40.23 1i45 n ASN 159 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1i45 s VAL 160 N -3.07 1.73 -0.02 3.44 1.01 -0.71 -1.70 120.40 121.09 1i45 s VAL 160 Ca 0.54 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1i45 s VAL 160 Cb 0.45 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1i45 s VAL 160 CO 0.12 0.04 -0.08 0.68 0.00 0.00 0.00 175.10 175.86 1i45 s VAL 161 N -1.03 0.68 -0.17 2.92 -7.23 -0.54 -4.53 120.40 110.50 1i45 s VAL 161 Ca 0.07 -0.33 -0.07 0.00 -1.81 0.00 0.00 61.98 59.84 1i45 s VAL 161 Cb -0.10 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1i45 s VAL 161 CO 0.03 0.21 0.06 -0.69 -0.31 0.00 0.00 175.10 174.41 1i45 s VAL 162 N 0.07 4.80 -0.20 1.32 1.01 -0.34 -1.01 120.40 126.05 1i45 s VAL 162 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1i45 s VAL 162 Cb -0.06 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1i45 s VAL 162 CO 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.52 1i45 s ALA 163 N 0.22 2.78 -0.22 5.51 0.00 0.10 0.11 121.76 130.26 1i45 s ALA 163 Ca 0.04 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 1i45 s ALA 163 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1i45 s ALA 163 CO 0.00 -0.30 0.51 -0.47 0.00 0.00 0.00 175.76 175.50 1i45 s TYR 164 N 1.26 3.33 -0.29 0.00 5.04 0.06 -1.60 117.35 125.14 1i45 s TYR 164 Ca 0.03 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.30 1i45 s TYR 164 Cb -0.14 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 39.49 1i45 s TYR 164 CO -0.02 -0.17 0.09 -1.21 -1.34 0.00 0.00 175.55 172.90 1i45 s GLU 165 N 1.89 3.18 -1.30 4.97 2.02 0.11 0.50 118.70 130.06 1i45 s GLU 165 Ca 0.23 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 1i45 s GLU 165 Cb -0.15 -3.38 0.11 0.00 0.10 0.00 0.00 34.13 30.80 1i45 s GLU 165 CO 0.09 -0.41 1.77 -0.35 0.02 0.00 0.00 175.26 176.38 1i45 n PRO 166 N 4.88 3.26 0.00 0.39 -0.04 -1.26 -3.69 135.00 138.54 1i45 n PRO 166 Ca -0.15 -3.36 0.00 0.00 -0.04 0.00 0.00 63.50 59.95 1i45 n PRO 166 Cb 0.48 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1i45 n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1i45 n VAL 167 N 5.05 0.00 0.00 0.52 0.31 -1.12 -3.97 118.33 119.12 1i45 n VAL 167 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1i45 n VAL 167 Cb 0.42 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1i45 n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i45 n ALA 169 N 2.26 0.00 -2.50 3.52 0.00 -1.26 -4.58 120.51 117.95 1i45 n ALA 169 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1i45 n ALA 169 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1i45 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i45 s ILE 170 N 0.00 5.25 -2.01 0.00 1.01 -1.25 -4.43 121.20 119.76 1i45 s ILE 170 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1i45 s ILE 170 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1i45 s ILE 170 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1i45 n GLY 171 N 5.11 0.77 0.23 6.18 0.00 -1.26 -4.85 105.19 111.37 1i45 n GLY 171 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1i45 n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i45 n THR 172 N -3.18 0.00 -0.91 2.61 -2.24 -1.26 -4.97 114.28 104.33 1i45 n THR 172 Ca -0.23 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1i45 n THR 172 Cb 0.69 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 1i45 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i45 n GLY 173 N 0.92 0.54 3.75 3.38 0.00 -1.26 -5.03 105.19 107.48 1i45 n GLY 173 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1i45 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i45 s LEU 174 N 0.00 3.59 -0.02 0.99 1.43 -1.26 -5.13 118.68 118.27 1i45 s LEU 174 Ca 0.00 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1i45 s LEU 174 Cb 0.00 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1i45 s LEU 174 CO 0.00 0.04 -0.02 0.00 0.23 0.00 0.00 176.35 176.60 1i45 s ALA 175 N -1.93 0.38 0.30 4.21 0.00 -1.26 -4.72 121.76 118.73 1i45 s ALA 175 Ca 0.31 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1i45 s ALA 175 Cb -0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1i45 s ALA 175 CO 0.22 -0.01 0.70 0.00 0.00 0.00 0.00 175.76 176.67 1i45 s ALA 176 N 0.65 3.37 0.41 0.00 0.00 -1.26 -5.09 121.76 119.85 1i45 s ALA 176 Ca -0.07 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1i45 s ALA 176 Cb -0.10 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1i45 s ALA 176 CO -0.01 0.37 0.21 0.95 0.00 0.00 0.00 175.76 177.28 1i45 s THR 177 N -1.93 2.35 0.47 0.00 -4.23 -1.26 -4.98 115.64 106.06 1i45 s THR 177 Ca 0.52 -1.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 1i45 s THR 177 Cb -0.11 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.96 1i45 s THR 177 CO 0.18 0.00 2.05 -0.65 -0.54 0.00 0.00 174.62 175.66 1i45 h PRO 178 N 1.36 0.00 -0.30 3.99 0.11 -1.99 -0.69 132.00 134.49 1i45 h PRO 178 Ca -0.43 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 1i45 h PRO 178 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1i45 h PRO 178 CO 0.68 0.12 -0.51 0.93 -0.21 0.00 0.00 178.00 179.02 1i45 h GLU 179 N 0.00 0.83 -0.31 1.05 3.07 -1.95 -0.43 114.58 116.85 1i45 h GLU 179 Ca -0.00 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 1i45 h GLU 179 Cb 0.22 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1i45 h GLU 179 CO 0.02 1.14 0.20 -0.44 -1.40 0.00 0.00 179.01 178.52 1i45 h ASP 180 N 0.65 0.37 0.26 1.42 3.45 -1.62 -1.03 116.42 119.92 1i45 h ASP 180 Ca 0.03 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1i45 h ASP 180 Cb 1.10 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1i45 h ASP 180 CO 0.11 0.28 -0.13 0.00 -1.57 0.00 0.00 179.24 177.93 1i45 h ALA 181 N 1.10 -0.36 -0.67 3.45 0.00 -1.03 -2.12 119.26 119.63 1i45 h ALA 181 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1i45 h ALA 181 Cb -0.02 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1i45 h ALA 181 CO -0.02 -0.71 0.33 0.37 0.00 0.00 0.00 179.25 179.22 1i45 h GLN 182 N -0.36 0.57 0.08 0.00 5.75 -0.93 0.73 115.11 120.94 1i45 h GLN 182 Ca -0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1i45 h GLN 182 Cb 0.29 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1i45 h GLN 182 CO 0.05 0.38 -0.04 -0.44 -2.65 0.00 0.00 178.83 176.13 1i45 h ASP 183 N 0.58 -0.09 0.13 -0.69 3.32 -0.99 -0.88 116.42 117.81 1i45 h ASP 183 Ca 0.32 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1i45 h ASP 183 Cb 0.30 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1i45 h ASP 183 CO -0.24 -0.01 -0.51 -0.29 -1.72 0.00 0.00 179.24 176.47 1i45 h ILE 184 N -0.16 1.33 -0.63 0.35 6.09 -1.15 -1.72 117.51 121.63 1i45 h ILE 184 Ca -0.01 -1.75 -0.06 0.00 -1.37 0.00 0.00 64.86 61.67 1i45 h ILE 184 Cb 0.13 1.77 -0.03 0.00 0.47 0.00 0.00 36.82 39.16 1i45 h ILE 184 CO 0.02 0.54 0.18 0.45 -3.07 0.00 0.00 178.15 176.26 1i45 h HIS 185 N 0.34 1.04 -0.43 2.19 3.86 -0.79 0.16 115.15 121.52 1i45 h HIS 185 Ca 0.01 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1i45 h HIS 185 Cb 1.01 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1i45 h HIS 185 CO 0.03 0.86 0.23 0.00 0.86 0.00 0.00 177.93 179.91 1i45 h ALA 186 N 1.06 0.55 -0.72 2.45 0.00 -0.96 0.41 119.26 122.05 1i45 h ALA 186 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1i45 h ALA 186 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1i45 h ALA 186 CO -0.00 0.07 0.32 0.77 0.00 0.00 0.00 179.25 180.41 1i45 h SER 187 N 0.55 0.97 -0.47 0.00 0.02 -1.03 -0.38 113.55 113.22 1i45 h SER 187 Ca 0.15 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1i45 h SER 187 Cb 0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1i45 h SER 187 CO -0.02 0.86 0.16 0.40 -1.14 0.00 0.00 176.83 177.08 1i45 h ILE 188 N 1.03 1.22 -0.68 3.27 2.04 -0.61 0.29 117.51 124.06 1i45 h ILE 188 Ca 0.25 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 1i45 h ILE 188 Cb 0.16 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1i45 h ILE 188 CO -0.03 0.26 0.13 -0.09 0.00 0.00 0.00 178.15 178.42 1i45 h ARG 189 N 0.61 1.12 -0.54 2.37 2.43 -0.61 -0.55 114.38 119.22 1i45 h ARG 189 Ca 0.15 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1i45 h ARG 189 Cb 0.24 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1i45 h ARG 189 CO -0.01 1.02 0.14 -0.22 -1.51 0.00 0.00 179.97 179.38 1i45 h LYS 190 N 1.05 0.86 -0.16 0.20 3.64 -0.84 -0.79 116.57 120.53 1i45 h LYS 190 Ca 0.21 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1i45 h LYS 190 Cb 0.43 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1i45 h LYS 190 CO 0.01 0.81 0.06 0.35 -2.27 0.00 0.00 179.45 178.41 1i45 h PHE 191 N 0.76 0.24 0.00 1.91 3.57 -0.68 -2.58 116.94 120.17 1i45 h PHE 191 Ca 0.17 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1i45 h PHE 191 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1i45 h PHE 191 CO 0.02 0.33 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.17 1i45 h LEU 192 N 0.09 0.00 -0.87 0.59 3.38 -0.96 -1.52 115.31 116.02 1i45 h LEU 192 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1i45 h LEU 192 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1i45 h LEU 192 CO -0.00 0.19 -0.23 0.00 0.09 0.00 0.00 178.44 178.48 1i45 h ALA 193 N 1.81 1.04 0.00 1.53 0.00 -0.84 0.42 119.26 123.23 1i45 h ALA 193 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i45 h ALA 193 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1i45 h ALA 193 CO 0.02 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.51 1i45 h SER 194 N 0.51 0.00 0.00 0.00 4.64 -0.89 0.51 113.55 118.31 1i45 h SER 194 Ca 0.08 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 1i45 h SER 194 Cb 0.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1i45 h SER 194 CO 0.05 0.00 -1.86 0.29 -0.87 0.00 0.00 176.83 174.44 1i45 n LYS 195 N -2.35 1.66 0.00 4.77 4.76 -0.84 -4.71 118.16 121.45 1i45 n LYS 195 Ca 0.03 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1i45 n LYS 195 Cb 0.28 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1i45 n LYS 195 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1i45 n LEU 196 N -2.41 0.35 0.00 -0.35 4.77 0.14 -5.10 117.00 114.40 1i45 n LEU 196 Ca -0.19 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1i45 n LEU 196 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1i45 n LEU 196 CO 0.28 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1i45 n GLY 197 N 0.64 1.39 0.32 -0.72 0.00 0.18 -4.48 105.19 102.51 1i45 n GLY 197 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.36 1i45 n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i45 h ASP 198 N 0.00 0.78 0.44 1.61 3.32 -1.91 -2.54 116.42 118.11 1i45 h ASP 198 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1i45 h ASP 198 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1i45 h ASP 198 CO 0.00 0.46 -0.27 0.50 -1.72 0.00 0.00 179.24 178.21 1i45 h LYS 199 N 0.90 -0.65 -0.83 3.56 3.64 -1.94 0.10 116.57 121.36 1i45 h LYS 199 Ca 0.40 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1i45 h LYS 199 Cb 0.30 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1i45 h LYS 199 CO -0.22 -0.43 0.54 0.00 -2.27 0.00 0.00 179.45 177.07 1i45 h ALA 200 N -0.16 1.06 -0.41 5.00 0.00 -1.77 -1.79 119.26 121.19 1i45 h ALA 200 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1i45 h ALA 200 Cb 0.56 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1i45 h ALA 200 CO 0.05 0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.87 1i45 h ALA 201 N 1.31 1.48 0.00 0.00 0.00 -1.19 -1.79 119.26 119.08 1i45 h ALA 201 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1i45 h ALA 201 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1i45 h ALA 201 CO -0.08 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.22 1i45 h SER 202 N 0.58 0.00 0.17 0.00 4.64 0.06 -3.10 113.55 115.90 1i45 h SER 202 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1i45 h SER 202 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1i45 h SER 202 CO -0.01 0.00 -1.01 -0.62 -0.87 0.00 0.00 176.83 174.32 1i45 n GLU 203 N -2.58 0.12 -2.54 4.77 1.02 -0.72 -4.77 120.64 115.94 1i45 n GLU 203 Ca 0.03 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1i45 n GLU 203 Cb 0.38 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1i45 n GLU 203 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1i45 s LEU 204 N -3.32 4.27 -0.08 -4.62 2.96 -0.92 -4.92 118.68 112.06 1i45 s LEU 204 Ca 0.06 1.71 -0.28 0.00 -0.22 0.00 0.00 54.13 55.41 1i45 s LEU 204 Cb 0.16 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 1i45 s LEU 204 CO 0.83 -0.53 0.92 -0.13 -1.32 0.00 0.00 176.35 176.12 1i45 s ARG 205 N 2.14 4.45 -0.24 1.98 3.00 -1.26 -4.99 118.95 124.02 1i45 s ARG 205 Ca 0.53 1.26 -0.02 0.00 0.00 0.00 0.00 55.73 57.51 1i45 s ARG 205 Cb -0.22 -3.51 0.02 0.00 0.00 0.00 0.00 34.95 31.24 1i45 s ARG 205 CO 0.20 -0.18 -0.07 0.42 0.00 0.00 0.00 175.30 175.68 1i45 s ILE 206 N 1.53 2.85 0.01 1.52 1.01 -1.26 -1.20 121.20 125.66 1i45 s ILE 206 Ca 0.46 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1i45 s ILE 206 Cb -0.19 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1i45 s ILE 206 CO 0.20 0.25 0.28 -0.76 0.00 0.00 0.00 174.94 174.91 1i45 s LEU 207 N 1.34 4.37 -0.26 2.97 1.43 0.29 -1.55 118.68 127.28 1i45 s LEU 207 Ca 0.01 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1i45 s LEU 207 Cb -0.16 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1i45 s LEU 207 CO -0.05 0.26 0.91 -0.47 0.23 0.00 0.00 176.35 177.22 1i45 s TYR 208 N -1.28 3.28 -0.46 0.29 5.04 -0.19 -0.76 117.35 123.27 1i45 s TYR 208 Ca 0.27 1.18 0.16 0.00 -2.44 0.00 0.00 57.07 56.24 1i45 s TYR 208 Cb -0.13 -3.21 0.64 0.00 0.35 0.00 0.00 41.96 39.61 1i45 s TYR 208 CO 0.15 -0.49 1.55 0.41 -1.34 0.00 0.00 175.55 175.84 1i45 n GLY 209 N 3.72 3.35 0.09 8.97 0.00 0.18 -1.97 105.19 119.53 1i45 n GLY 209 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 1i45 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i45 n GLY 210 N 0.26 -0.23 3.59 -0.02 0.00 -1.25 -4.61 105.19 102.93 1i45 n GLY 210 Ca 0.23 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 1i45 n GLY 210 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i45 n SER 211 N -3.01 3.18 -4.08 1.61 2.88 -1.26 -4.80 113.62 108.14 1i45 n SER 211 Ca 0.00 0.27 -0.28 0.00 -1.33 0.00 0.00 58.87 57.54 1i45 n SER 211 Cb 0.01 -1.52 -0.17 0.00 -0.75 0.00 0.00 64.21 61.79 1i45 n SER 211 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i45 s ALA 212 N 7.94 1.67 0.35 -1.46 0.00 -1.26 -5.01 121.76 123.98 1i45 s ALA 212 Ca 1.01 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1i45 s ALA 212 Cb -0.41 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1i45 s ALA 212 CO 0.37 0.03 0.39 0.27 0.00 0.00 0.00 175.76 176.82 1i45 n ASN 213 N 4.00 -1.05 -0.04 0.00 0.23 -1.26 -4.46 115.26 112.67 1i45 n ASN 213 Ca -0.20 -3.11 0.05 0.00 -0.53 0.00 0.00 54.58 50.79 1i45 n ASN 213 Cb 0.52 2.14 0.41 0.00 -2.08 0.00 0.00 39.78 40.77 1i45 n ASN 213 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1i45 h GLY 214 N 2.07 0.65 1.22 4.83 0.00 -1.94 -1.59 103.07 108.30 1i45 h GLY 214 Ca -0.26 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 46.64 1i45 h GLY 214 CO 0.36 0.22 -0.62 1.76 0.00 0.00 0.00 176.54 178.26 1i45 h SER 215 N 0.60 0.91 -0.01 0.19 0.02 -1.96 -3.37 113.55 109.93 1i45 h SER 215 Ca 0.18 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1i45 h SER 215 Cb 0.01 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1i45 h SER 215 CO -0.04 1.32 -0.45 -0.46 -1.14 0.00 0.00 176.83 176.05 1i45 n ASN 216 N -3.97 1.59 -0.26 3.07 0.23 -1.12 -4.56 115.26 110.23 1i45 n ASN 216 Ca -0.05 -1.29 0.02 0.00 -0.53 0.00 0.00 54.58 52.73 1i45 n ASN 216 Cb 0.66 0.56 0.15 0.00 -2.08 0.00 0.00 39.78 39.07 1i45 n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i45 h ALA 217 N 2.99 1.04 -0.09 -2.53 0.00 -1.45 -1.02 119.26 118.20 1i45 h ALA 217 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1i45 h ALA 217 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i45 h ALA 217 CO 0.00 -0.03 0.10 -0.24 0.00 0.00 0.00 179.25 179.08 1i45 h VAL 218 N 0.63 0.55 0.00 0.00 3.04 -1.80 -1.52 116.25 117.15 1i45 h VAL 218 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1i45 h VAL 218 Cb 0.39 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1i45 h VAL 218 CO -0.27 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 176.64 1i45 n THR 219 N -3.91 1.03 0.72 3.17 -2.24 -0.39 -2.02 114.28 110.65 1i45 n THR 219 Ca -0.01 0.26 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1i45 n THR 219 Cb 0.20 -1.03 0.05 0.00 -2.10 0.00 0.00 70.33 67.45 1i45 n THR 219 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i45 n PHE 220 N -1.47 0.00 0.15 4.78 3.72 -0.57 -4.68 117.46 119.38 1i45 n PHE 220 Ca 0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.59 1i45 n PHE 220 Cb 0.15 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.42 1i45 n PHE 220 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1i45 h LYS 221 N 2.95 0.00 -0.48 -1.08 2.10 -1.49 -2.38 116.57 116.20 1i45 h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1i45 h LYS 221 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1i45 h LYS 221 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1i45 n ASP 222 N -4.20 4.52 -4.49 7.07 8.00 -1.26 -4.87 116.55 121.32 1i45 n ASP 222 Ca 0.03 -2.68 -0.43 0.00 0.71 0.00 0.00 54.79 52.42 1i45 n ASP 222 Cb 0.36 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1i45 n ASP 222 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1i45 s LYS 223 N -2.26 3.23 0.32 -1.24 -0.14 -0.90 -4.94 119.74 113.81 1i45 s LYS 223 Ca 0.46 -0.57 0.08 0.00 -1.36 0.00 0.00 55.97 54.58 1i45 s LYS 223 Cb 0.33 -4.05 0.84 0.00 -1.68 0.00 0.00 37.83 33.26 1i45 s LYS 223 CO 0.17 -1.28 1.75 0.00 -0.76 0.00 0.00 175.35 175.23 1i45 h ALA 224 N 9.09 1.77 -0.51 5.17 0.00 -1.89 -2.04 119.26 130.83 1i45 h ALA 224 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i45 h ALA 224 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i45 h ALA 224 CO 1.00 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.80 1i45 n ASP 225 N -4.82 3.08 -4.42 0.00 9.92 -1.26 -4.75 116.55 114.30 1i45 n ASP 225 Ca 0.25 -1.97 -0.42 0.00 -0.53 0.00 0.00 54.79 52.12 1i45 n ASP 225 Cb 0.68 -0.34 -0.10 0.00 -0.64 0.00 0.00 41.12 40.72 1i45 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1i45 s VAL 226 N -1.32 5.02 -2.06 2.53 1.01 -0.77 -4.61 120.40 120.21 1i45 s VAL 226 Ca 0.39 -0.79 0.22 0.00 0.00 0.00 0.00 61.98 61.80 1i45 s VAL 226 Cb 0.21 -3.83 0.56 0.00 0.00 0.00 0.00 36.38 33.31 1i45 s VAL 226 CO 0.28 -0.33 1.48 0.47 0.00 0.00 0.00 175.10 177.00 1i45 n ASP 227 N 5.11 3.75 0.00 3.32 10.43 -0.59 -4.85 116.55 133.72 1i45 n ASP 227 Ca -0.11 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.25 1i45 n ASP 227 Cb 0.46 -0.40 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1i45 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i45 n GLY 228 N 1.54 -0.12 3.15 0.44 0.00 -1.26 -1.51 105.19 107.44 1i45 n GLY 228 Ca 0.22 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1i45 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i45 s PHE 229 N -2.96 0.48 -0.50 1.61 0.08 -0.59 -1.02 117.98 115.08 1i45 s PHE 229 Ca 0.00 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.13 1i45 s PHE 229 Cb 0.00 -0.29 0.13 0.00 -0.57 0.00 0.00 43.02 42.28 1i45 s PHE 229 CO 0.00 -0.48 0.24 -1.17 -0.10 0.00 0.00 175.22 173.71 1i45 s LEU 230 N -2.94 4.17 0.32 -0.37 2.96 -0.83 -0.62 118.68 121.37 1i45 s LEU 230 Ca 0.11 -2.91 -0.28 0.00 -0.22 0.00 0.00 54.13 50.83 1i45 s LEU 230 Cb 0.07 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 45.09 1i45 s LEU 230 CO -0.07 -0.25 1.12 -0.69 -1.32 0.00 0.00 176.35 175.14 1i45 s VAL 231 N -0.13 3.40 0.00 1.68 1.01 0.33 -4.56 120.40 122.13 1i45 s VAL 231 Ca 0.17 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1i45 s VAL 231 Cb -0.25 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1i45 s VAL 231 CO -0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1i45 n GLY 232 N 0.96 0.57 0.36 4.51 0.00 -1.26 -0.86 105.19 109.48 1i45 n GLY 232 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1i45 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i45 h GLY 233 N 0.00 0.00 2.00 -0.02 0.00 -1.90 -1.27 103.07 101.88 1i45 h GLY 233 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i45 h GLY 233 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1i45 h ALA 234 N 1.65 1.04 0.00 3.60 0.00 -1.89 -2.47 119.26 121.20 1i45 h ALA 234 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i45 h ALA 234 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i45 h ALA 234 CO -0.00 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1i45 n SER 235 N -3.17 0.29 -0.20 0.00 3.41 -0.48 -1.79 113.62 111.67 1i45 n SER 235 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1i45 n SER 235 Cb 0.21 -0.63 0.22 0.00 -0.26 0.00 0.00 64.21 63.75 1i45 n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i45 n LEU 236 N -1.81 1.08 -4.77 1.04 4.77 -0.93 -4.89 117.00 111.49 1i45 n LEU 236 Ca 0.03 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 1i45 n LEU 236 Cb 0.20 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1i45 n LEU 236 CO 0.17 0.22 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.77 1i45 s LYS 237 N -2.67 2.34 0.47 3.23 1.02 -0.74 -4.93 119.74 118.46 1i45 s LYS 237 Ca 0.18 -1.69 0.14 0.00 0.02 0.00 0.00 55.97 54.62 1i45 s LYS 237 Cb 0.18 -2.13 1.11 0.00 -0.52 0.00 0.00 37.83 36.47 1i45 s LYS 237 CO 0.61 -0.07 2.08 -1.35 -0.92 0.00 0.00 175.35 175.70 1i45 h PRO 238 N 1.36 0.25 0.00 -1.68 0.11 -1.93 -2.25 132.00 127.86 1i45 h PRO 238 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i45 h PRO 238 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i45 h PRO 238 CO 0.65 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1i45 n GLU 239 N -4.49 0.00 -0.22 1.05 0.28 -1.26 -1.78 120.64 114.22 1i45 n GLU 239 Ca 0.03 0.45 -0.01 0.00 -0.16 0.00 0.00 57.16 57.47 1i45 n GLU 239 Cb 0.18 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.76 1i45 n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1i45 h PHE 240 N 0.00 0.97 -0.49 -1.84 3.57 -1.46 -1.17 116.94 116.52 1i45 h PHE 240 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1i45 h PHE 240 Cb 0.05 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1i45 h PHE 240 CO 0.00 0.65 0.16 0.28 -2.23 0.00 0.00 178.31 177.17 1i45 h VAL 241 N 1.02 1.20 -0.40 1.41 2.07 -1.58 -2.00 116.25 117.97 1i45 h VAL 241 Ca 0.27 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1i45 h VAL 241 Cb -0.03 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1i45 h VAL 241 CO -0.05 0.25 -0.10 0.44 0.02 0.00 0.00 177.57 178.13 1i45 h ASP 242 N 0.71 0.69 -0.54 0.57 3.45 -1.39 -1.96 116.42 117.95 1i45 h ASP 242 Ca 0.17 -0.19 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1i45 h ASP 242 Cb 0.20 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1i45 h ASP 242 CO -0.01 0.82 0.12 0.40 -1.57 0.00 0.00 179.24 179.00 1i45 h ILE 243 N 0.64 1.25 -0.12 0.35 2.04 -0.81 0.16 117.51 121.02 1i45 h ILE 243 Ca 0.11 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1i45 h ILE 243 Cb 0.55 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1i45 h ILE 243 CO 0.03 0.33 -0.09 0.40 0.00 0.00 0.00 178.15 178.82 1i45 h ILE 244 N 0.77 1.14 -0.37 -0.67 2.04 -1.10 -2.14 117.51 117.19 1i45 h ILE 244 Ca 0.17 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1i45 h ILE 244 Cb 0.37 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1i45 h ILE 244 CO 0.01 0.19 0.00 0.59 0.00 0.00 0.00 178.15 178.93 1i45 n ASN 245 N -4.33 3.09 0.16 1.72 5.03 -0.76 -4.56 115.26 115.61 1i45 n ASN 245 Ca -0.01 -1.94 0.11 0.00 0.87 0.00 0.00 54.58 53.61 1i45 n ASN 245 Cb 0.23 -0.24 0.58 0.00 -1.02 0.00 0.00 39.78 39.33 1i45 n ASN 245 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1i45 n SER 246 N 1.25 0.55 -0.57 6.41 3.41 0.00 -2.02 113.62 122.65 1i45 n SER 246 Ca 0.19 0.76 0.08 0.00 -0.26 0.00 0.00 58.87 59.64 1i45 n SER 246 Cb 0.54 -0.83 0.19 0.00 -0.26 0.00 0.00 64.21 63.86 1i45 n SER 246 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i45 n ARG 247 N -2.25 2.51 0.00 4.33 1.74 -1.26 -4.51 116.66 117.22 1i45 n ARG 247 Ca -0.01 -2.55 0.09 0.00 -0.77 0.00 0.00 57.85 54.60 1i45 n ARG 247 Cb 0.03 -1.60 0.51 0.00 -1.02 0.00 0.00 32.46 30.38 1i45 n ARG 247 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20