#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 4.55 0.08 0.00 0.52 -1.26 -5.01 118.95 117.83 1i45 s ARG 3 Ca 0.00 1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 56.36 1i45 s ARG 3 Cb 0.00 -3.44 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1i45 s ARG 3 CO 0.00 -0.06 1.26 0.99 0.02 0.00 0.00 175.30 177.51 1i45 s THR 4 N 0.96 3.79 0.21 0.02 2.01 -1.26 -4.96 115.64 116.41 1i45 s THR 4 Ca 0.52 1.28 -0.32 0.00 0.31 0.00 0.00 61.69 63.49 1i45 s THR 4 Cb -0.22 -3.82 -0.12 0.00 0.01 0.00 0.00 72.50 68.34 1i45 s THR 4 CO 0.28 0.10 1.66 0.33 -0.69 0.00 0.00 174.62 176.30 1i45 n PHE 5 N 3.96 2.62 -4.31 4.92 7.35 -1.26 -4.86 117.46 125.88 1i45 n PHE 5 Ca 0.10 0.14 -0.29 0.00 -0.76 0.00 0.00 57.45 56.64 1i45 n PHE 5 Cb 0.45 -2.62 -0.17 0.00 0.35 0.00 0.00 39.48 37.49 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 0.88 2.01 -0.27 -5.13 2.19 -0.67 -1.16 117.98 115.83 1i45 s PHE 6 Ca 0.74 -1.01 0.03 0.00 0.33 0.00 0.00 56.93 57.02 1i45 s PHE 6 Cb -0.55 -1.47 0.07 0.00 -1.31 0.00 0.00 43.02 39.76 1i45 s PHE 6 CO 0.37 -0.53 -0.06 0.08 1.83 0.00 0.00 175.22 176.90 1i45 s VAL 7 N 1.16 2.01 0.00 3.12 1.01 0.09 -1.41 120.40 126.38 1i45 s VAL 7 Ca -0.03 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.20 1i45 s VAL 7 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1i45 s VAL 7 CO -0.04 -0.18 0.28 -0.83 0.00 0.00 0.00 175.10 174.33 1i45 s GLY 8 N 1.14 2.27 -0.32 4.51 0.00 0.19 -1.21 107.32 113.90 1i45 s GLY 8 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1i45 s GLY 8 CO -0.06 -0.33 0.01 -0.32 0.00 0.00 0.00 173.10 172.39 1i45 s GLY 9 N -1.61 1.84 -0.61 0.20 0.00 0.99 -0.47 107.32 107.65 1i45 s GLY 9 Ca 0.27 -2.26 -0.21 0.00 0.00 0.00 0.00 44.72 42.52 1i45 s GLY 9 CO 0.15 0.83 0.86 0.21 0.00 0.00 0.00 173.10 175.15 1i45 s ASN 10 N 1.04 6.20 0.55 1.64 2.47 0.13 0.45 114.94 127.42 1i45 s ASN 10 Ca 0.04 -1.01 0.33 0.00 0.42 0.00 0.00 52.86 52.63 1i45 s ASN 10 Cb -0.20 -2.38 1.52 0.00 -1.45 0.00 0.00 41.25 38.74 1i45 s ASN 10 CO -0.06 -1.27 2.05 -0.26 -3.72 0.00 0.00 177.10 173.84 1i45 h PHE 11 N 9.38 0.00 -0.34 0.43 -1.00 -1.66 -3.41 116.94 120.33 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 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1i45 h PHE 11 CO 0.90 0.07 0.00 1.63 -1.61 0.00 0.00 178.31 179.30 1i45 n LYS 12 N -3.28 0.00 -2.13 1.51 5.02 -1.26 -3.38 118.16 114.64 1i45 n LYS 12 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1i45 n LYS 12 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 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 6.41 -3.75 -0.35 7.94 -1.26 -4.38 117.00 121.61 1i45 n LEU 13 Ca 0.00 -4.30 -0.12 0.00 -1.11 0.00 0.00 56.01 50.48 1i45 n LEU 13 Cb 0.00 -1.61 -0.08 0.00 0.53 0.00 0.00 43.42 42.26 1i45 n LEU 13 CO 0.00 1.04 0.03 0.20 -1.11 0.00 0.00 177.39 177.55 1i45 s ASN 14 N 2.57 -0.16 0.00 1.96 0.01 -1.22 -5.13 114.94 112.97 1i45 s ASN 14 Ca 0.45 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1i45 s ASN 14 Cb 0.10 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.10 1i45 s ASN 14 CO -0.03 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 175.62 1i45 n GLY 15 N 0.87 3.18 3.22 0.66 0.00 -1.26 -4.58 105.19 107.28 1i45 n GLY 15 Ca -0.20 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 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 0.19 0.25 1.61 1.04 -1.26 -5.00 113.70 110.53 1i45 s SER 16 Ca 0.00 -1.20 -0.05 0.00 0.48 0.00 0.00 55.95 55.18 1i45 s SER 16 Cb 0.00 0.36 0.32 0.00 0.10 0.00 0.00 66.02 66.80 1i45 s SER 16 CO 0.00 -0.81 1.88 0.11 0.98 0.00 0.00 173.24 175.40 1i45 h LYS 17 N 2.70 1.10 0.04 4.02 1.57 -2.00 -0.87 116.57 123.13 1i45 h LYS 17 Ca -0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1i45 h LYS 17 Cb 1.22 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1i45 h LYS 17 CO 0.54 0.73 -0.02 0.37 -0.57 0.00 0.00 179.45 180.50 1i45 h GLN 18 N 1.13 -0.06 -0.39 3.15 5.75 -1.99 -1.44 115.11 121.27 1i45 h GLN 18 Ca 0.38 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.81 1i45 h GLN 18 Cb 0.07 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1i45 h GLN 18 CO -0.14 0.19 -0.06 0.66 -2.65 0.00 0.00 178.83 176.83 1i45 h SER 19 N -0.29 0.62 0.17 -0.69 4.64 -1.90 -2.39 113.55 113.71 1i45 h SER 19 Ca -0.01 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 60.99 1i45 h SER 19 Cb 0.27 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1i45 h SER 19 CO 0.01 0.73 -0.62 0.40 -0.87 0.00 0.00 176.83 176.49 1i45 h ILE 20 N 0.60 1.35 -0.75 0.95 2.04 -1.16 -1.87 117.51 118.68 1i45 h ILE 20 Ca 0.12 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.03 1i45 h ILE 20 Cb 0.47 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1i45 h ILE 20 CO 0.02 0.59 0.46 0.50 0.00 0.00 0.00 178.15 179.73 1i45 h LYS 21 N 0.32 1.01 -0.56 2.37 3.64 -0.95 -0.21 116.57 122.19 1i45 h LYS 21 Ca -0.01 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1i45 h LYS 21 Cb 1.16 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1i45 h LYS 21 CO 0.11 0.70 0.21 0.93 -2.27 0.00 0.00 179.45 179.13 1i45 h GLU 22 N 1.02 0.85 -0.41 1.90 5.08 -1.21 0.60 114.58 122.41 1i45 h GLU 22 Ca 0.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1i45 h GLU 22 Cb -0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1i45 h GLU 22 CO -0.05 0.75 0.20 0.82 -1.00 0.00 0.00 179.01 179.73 1i45 h ILE 23 N 0.78 1.17 -0.23 3.13 2.04 -0.81 -1.69 117.51 121.90 1i45 h ILE 23 Ca 0.18 -0.50 -0.18 0.00 1.00 0.00 0.00 64.86 65.37 1i45 h ILE 23 Cb 0.23 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1i45 h ILE 23 CO -0.01 0.19 -0.54 0.58 0.00 0.00 0.00 178.15 178.36 1i45 h VAL 24 N 0.53 1.29 -0.16 1.67 2.07 -0.90 -2.65 116.25 118.12 1i45 h VAL 24 Ca 0.14 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1i45 h VAL 24 Cb 0.12 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1i45 h VAL 24 CO -0.02 0.56 -0.10 -0.33 0.02 0.00 0.00 177.57 177.70 1i45 h GLU 25 N 0.51 0.24 -0.29 1.57 5.08 -0.83 0.15 114.58 121.00 1i45 h GLU 25 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1i45 h GLU 25 Cb 1.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1i45 h GLU 25 CO 0.12 0.36 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.26 1i45 h ARG 26 N 0.23 0.60 -0.39 2.33 2.43 -1.22 -2.47 114.38 115.90 1i45 h ARG 26 Ca 0.05 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 1i45 h ARG 26 Cb 0.33 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1i45 h ARG 26 CO 0.02 0.83 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.24 1i45 h LEU 27 N 0.35 0.58 -0.99 3.80 3.38 -1.06 0.11 115.31 121.48 1i45 h LEU 27 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1i45 h LEU 27 Cb 0.65 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1i45 h LEU 27 CO 0.04 0.65 0.43 0.78 0.09 0.00 0.00 178.44 180.43 1i45 h ASN 28 N 0.58 1.02 -0.15 -0.43 -0.26 -0.76 -3.02 115.58 112.57 1i45 h ASN 28 Ca 0.12 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1i45 h ASN 28 Cb 0.37 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1i45 h ASN 28 CO 0.01 0.83 0.00 0.35 -1.06 0.00 0.00 177.43 177.57 1i45 n THR 29 N -4.33 0.18 -2.04 2.81 -2.24 -0.95 -4.83 114.28 102.87 1i45 n THR 29 Ca 0.08 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 1i45 n THR 29 Cb 0.11 1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.65 3.04 -0.53 6.98 0.00 0.00 -5.02 121.76 124.59 1i45 s ALA 30 Ca 0.29 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 1i45 s ALA 30 Cb 0.19 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 20.28 1i45 s ALA 30 CO 0.28 -0.57 0.60 0.45 0.00 0.00 0.00 175.76 176.51 1i45 s SER 31 N -3.68 6.20 0.23 0.00 0.15 -1.26 -5.00 113.70 110.33 1i45 s SER 31 Ca 0.57 -1.17 0.10 0.00 0.70 0.00 0.00 55.95 56.15 1i45 s SER 31 Cb -0.11 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1i45 s SER 31 CO 0.45 -0.91 -0.19 0.27 1.20 0.00 0.00 173.24 174.06 1i45 s ILE 32 N 2.42 2.14 0.63 6.45 -4.36 -1.26 -4.93 121.20 122.29 1i45 s ILE 32 Ca 0.12 -2.22 -0.19 0.00 -0.26 0.00 0.00 60.65 58.10 1i45 s ILE 32 Cb -0.22 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1i45 s ILE 32 CO 0.09 -0.40 1.23 -2.65 0.24 0.00 0.00 174.94 173.44 1i45 n PRO 33 N -0.28 1.13 0.09 0.37 -0.02 -1.26 -4.93 135.00 130.10 1i45 n PRO 33 Ca -0.08 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 1i45 n PRO 33 Cb 0.59 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.62 0.19 -2.14 -0.52 4.81 -2.01 -3.31 114.58 112.23 1i45 h GLU 34 Ca -0.50 -0.15 -0.77 0.00 -0.13 0.00 0.00 59.36 57.81 1i45 h GLU 34 Cb 1.34 0.03 -0.29 0.00 0.63 0.00 0.00 28.75 30.46 1i45 h GLU 34 CO 0.53 0.79 0.84 -1.71 -0.73 0.00 0.00 179.01 178.73 1i45 n ASN 35 N -3.81 7.09 -3.94 1.04 5.15 -1.26 -4.94 115.26 114.58 1i45 n ASN 35 Ca -0.02 -3.74 -0.14 0.00 -0.60 0.00 0.00 54.58 50.08 1i45 n ASN 35 Cb 0.66 -1.06 -0.14 0.00 -0.53 0.00 0.00 39.78 38.71 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 -4.65 0.28 -0.26 3.44 0.11 -1.25 -4.15 120.40 113.92 1i45 s VAL 36 Ca 0.44 -0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1i45 s VAL 36 Cb 0.29 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.88 1i45 s VAL 36 CO -0.23 -0.02 0.02 -0.70 -3.33 0.00 0.00 175.10 170.84 1i45 s GLU 37 N -0.34 3.13 -0.16 1.54 2.12 -0.31 -4.71 118.70 119.97 1i45 s GLU 37 Ca -0.01 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 1i45 s GLU 37 Cb -0.03 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1i45 s GLU 37 CO -0.00 -0.36 -0.06 0.08 -0.54 0.00 0.00 175.26 174.38 1i45 s VAL 38 N 1.46 3.53 -0.23 3.70 1.01 0.50 -0.74 120.40 129.64 1i45 s VAL 38 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1i45 s VAL 38 Cb -0.16 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.73 1i45 s VAL 38 CO -0.00 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1i45 s VAL 39 N 0.63 1.56 -0.02 2.92 1.01 -0.35 -1.12 120.40 125.04 1i45 s VAL 39 Ca -0.04 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1i45 s VAL 39 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1i45 s VAL 39 CO 0.03 -0.05 0.50 0.27 0.00 0.00 0.00 175.10 175.85 1i45 s ILE 40 N 1.39 4.98 -0.52 2.22 -4.36 -0.63 -0.01 121.20 124.28 1i45 s ILE 40 Ca -0.05 1.04 0.04 0.00 -0.26 0.00 0.00 60.65 61.42 1i45 s ILE 40 Cb -0.18 -3.83 0.14 0.00 1.25 0.00 0.00 42.46 39.83 1i45 s ILE 40 CO -0.06 0.47 0.28 0.00 0.24 0.00 0.00 174.94 175.86 1i45 s PRO 42 N -0.25 1.95 0.69 0.00 0.04 -1.24 -1.91 135.00 134.29 1i45 s PRO 42 Ca 0.18 -0.41 -0.17 0.00 0.04 0.00 0.00 61.00 60.65 1i45 s PRO 42 Cb -0.23 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1i45 s PRO 42 CO -0.02 -1.39 1.26 -2.14 0.04 0.00 0.00 177.00 174.75 1i45 s PRO 43 N -5.29 2.30 0.35 0.56 0.02 -1.26 -4.39 135.00 127.27 1i45 s PRO 43 Ca 0.63 1.94 0.11 0.00 0.02 0.00 0.00 61.00 63.70 1i45 s PRO 43 Cb -0.09 -1.83 0.89 0.00 0.02 0.00 0.00 34.50 33.49 1i45 s PRO 43 CO 0.45 -1.76 1.79 0.00 -0.33 0.00 0.00 177.00 177.16 1i45 h ALA 44 N 0.11 1.90 -0.02 -1.55 0.00 -1.95 0.82 119.26 118.56 1i45 h ALA 44 Ca -0.49 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1i45 h ALA 44 Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i45 h ALA 44 CO 0.51 -0.26 0.14 1.15 0.00 0.00 0.00 179.25 180.79 1i45 h THR 45 N 0.61 0.06 -0.12 0.00 2.02 -2.03 -2.27 112.91 111.18 1i45 h THR 45 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1i45 h THR 45 Cb 1.07 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1i45 h THR 45 CO -0.32 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.35 1i45 n TYR 46 N -3.10 0.16 0.17 3.16 4.02 0.27 -4.78 117.16 117.06 1i45 n TYR 46 Ca -0.02 -0.51 -0.14 0.00 -0.01 0.00 0.00 57.90 57.22 1i45 n TYR 46 Cb 0.21 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.41 1i45 n TYR 46 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1i45 h LEU 47 N 0.69 -0.48 0.04 7.72 3.38 -1.28 -0.56 115.31 124.82 1i45 h LEU 47 Ca 0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1i45 h LEU 47 Cb 0.59 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1i45 h LEU 47 CO 0.00 -0.29 -0.06 -0.78 0.09 0.00 0.00 178.44 177.40 1i45 h ASP 48 N -0.44 -0.17 -0.88 -0.43 -0.00 -1.84 -1.87 116.42 110.79 1i45 h ASP 48 Ca -0.02 0.02 0.03 0.00 -0.00 0.00 0.00 57.03 57.07 1i45 h ASP 48 Cb 0.38 0.07 -0.05 0.00 -0.00 0.00 0.00 39.33 39.73 1i45 h ASP 48 CO -0.01 -0.10 0.57 0.22 -0.00 0.00 0.00 179.24 179.92 1i45 h TYR 49 N -0.13 1.07 -0.01 0.28 3.20 -1.87 -1.52 116.97 117.98 1i45 h TYR 49 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1i45 h TYR 49 Cb 0.14 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1i45 h TYR 49 CO -0.11 0.61 0.01 0.77 -1.64 0.00 0.00 178.16 177.80 1i45 h SER 50 N 1.11 0.02 -0.91 -2.11 0.02 -0.84 -2.48 113.55 108.36 1i45 h SER 50 Ca 0.35 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1i45 h SER 50 Cb 0.00 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1i45 h SER 50 CO -0.12 0.10 0.57 0.58 -1.14 0.00 0.00 176.83 176.83 1i45 h VAL 51 N -0.07 1.06 0.00 2.27 2.07 -1.00 -1.70 116.25 118.89 1i45 h VAL 51 Ca 0.01 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1i45 h VAL 51 Cb 0.09 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1i45 h VAL 51 CO -0.00 0.19 -0.10 0.77 0.02 0.00 0.00 177.57 178.45 1i45 h SER 52 N 1.04 0.00 0.65 0.57 4.64 -0.98 -3.02 113.55 116.46 1i45 h SER 52 Ca 0.39 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.47 1i45 h SER 52 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1i45 h SER 52 CO -0.17 0.10 -1.50 -0.07 -0.87 0.00 0.00 176.83 174.33 1i45 h LEU 53 N 0.00 0.00 -9.59 5.97 4.07 -0.87 -3.47 115.31 111.42 1i45 h LEU 53 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 1i45 h LEU 53 Cb 0.29 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.08 1i45 h LEU 53 CO 0.01 0.89 0.96 -0.69 -1.08 0.00 0.00 178.44 178.53 1i45 s VAL 54 N -2.70 2.51 0.00 1.22 1.01 -0.98 -4.87 120.40 116.59 1i45 s VAL 54 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1i45 s VAL 54 Cb 0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1i45 s VAL 54 CO 0.82 0.02 0.46 0.29 0.00 0.00 0.00 175.10 176.68 1i45 n LYS 55 N 4.38 0.22 -3.60 2.72 4.76 -1.26 -5.03 118.16 120.35 1i45 n LYS 55 Ca 0.15 -0.55 -0.37 0.00 -2.87 0.00 0.00 58.31 54.67 1i45 n LYS 55 Cb 0.38 -0.78 -0.09 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.20 4.10 0.38 1.97 2.47 -1.26 -4.99 119.74 122.21 1i45 s LYS 56 Ca 0.00 -0.15 0.08 0.00 -1.56 0.00 0.00 55.97 54.34 1i45 s LYS 56 Cb 0.00 -3.53 0.82 0.00 -1.46 0.00 0.00 37.83 33.66 1i45 s LYS 56 CO 0.00 0.05 1.96 -1.35 0.16 0.00 0.00 175.35 176.17 1i45 h PRO 57 N 7.44 0.64 0.00 4.03 0.11 -1.99 -1.83 132.00 140.40 1i45 h PRO 57 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1i45 h PRO 57 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i45 h PRO 57 CO 0.68 0.43 0.00 1.04 -0.21 0.00 0.00 178.00 179.93 1i45 n GLN 58 N -4.48 0.04 -4.08 1.05 3.00 -1.26 -4.75 117.38 106.90 1i45 n GLN 58 Ca 0.11 0.11 -0.35 0.00 -0.01 0.00 0.00 57.00 56.86 1i45 n GLN 58 Cb 0.27 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.89 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 -2.95 4.19 0.35 5.09 1.01 -0.69 -0.37 120.40 127.02 1i45 s VAL 59 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1i45 s VAL 59 Cb 0.15 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1i45 s VAL 59 CO 0.40 0.43 0.09 0.42 0.00 0.00 0.00 175.10 176.45 1i45 s THR 60 N 0.83 0.89 0.14 3.92 -4.23 -0.27 -4.79 115.64 112.13 1i45 s THR 60 Ca 0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 1i45 s THR 60 Cb -0.14 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1i45 s THR 60 CO 0.02 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.26 1i45 s VAL 61 N -3.32 2.95 0.04 2.29 1.01 -1.26 -1.60 120.40 120.51 1i45 s VAL 61 Ca 0.32 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1i45 s VAL 61 Cb 0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1i45 s VAL 61 CO 0.15 0.03 -0.01 -0.83 0.00 0.00 0.00 175.10 174.43 1i45 s GLY 62 N -2.38 0.35 0.36 4.51 0.00 0.09 -0.24 107.32 110.01 1i45 s GLY 62 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1i45 s GLY 62 CO 0.12 -1.00 0.56 0.00 0.00 0.00 0.00 173.10 172.78 1i45 s ALA 63 N -2.90 3.70 -1.34 3.20 0.00 0.34 -3.65 121.76 121.11 1i45 s ALA 63 Ca -0.03 -0.91 0.26 0.00 0.00 0.00 0.00 51.96 51.29 1i45 s ALA 63 Cb 0.01 -2.12 0.74 0.00 0.00 0.00 0.00 23.12 21.74 1i45 s ALA 63 CO -0.06 -0.06 1.56 1.04 0.00 0.00 0.00 175.76 178.24 1i45 n GLN 64 N -1.82 0.37 0.00 0.00 6.02 -1.26 -0.51 117.38 120.18 1i45 n GLN 64 Ca -0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1i45 n GLN 64 Cb 0.56 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.14 0.00 -3.78 1.08 5.15 -1.22 -4.43 115.26 110.92 1i45 n ASN 65 Ca 0.09 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.98 1i45 n ASN 65 Cb 0.33 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.54 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 -0.79 0.79 5.20 0.00 -1.26 -4.67 121.76 119.03 1i45 s ALA 66 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1i45 s ALA 66 Cb 0.00 0.86 0.13 0.00 0.00 0.00 0.00 23.12 24.11 1i45 s ALA 66 CO 0.00 -0.79 1.11 -0.47 0.00 0.00 0.00 175.76 175.60 1i45 s TYR 67 N -3.89 1.97 -1.42 0.00 5.04 -0.25 -4.92 117.35 113.88 1i45 s TYR 67 Ca 0.11 0.12 0.13 0.00 -2.44 0.00 0.00 57.07 54.99 1i45 s TYR 67 Cb -0.01 -3.42 0.50 0.00 0.35 0.00 0.00 41.96 39.38 1i45 s TYR 67 CO -0.02 -1.93 1.37 1.47 -1.34 0.00 0.00 175.55 175.11 1i45 n LEU 68 N -3.16 3.34 -4.09 6.97 -0.00 -1.26 -4.73 117.00 114.07 1i45 n LEU 68 Ca 0.13 -1.68 -0.11 0.00 -0.00 0.00 0.00 56.01 54.35 1i45 n LEU 68 Cb 0.60 -0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 1i45 n LEU 68 CO 0.46 0.62 -0.38 -0.54 -0.00 0.00 0.00 177.39 177.55 1i45 s LYS 69 N -1.66 0.61 0.09 1.47 -0.14 -1.26 -4.87 119.74 113.98 1i45 s LYS 69 Ca 0.36 -0.99 -0.02 0.00 -1.36 0.00 0.00 55.97 53.96 1i45 s LYS 69 Cb 0.22 -0.13 -0.24 0.00 -1.68 0.00 0.00 37.83 36.00 1i45 s LYS 69 CO 0.19 -0.01 1.19 0.00 -0.76 0.00 0.00 175.35 175.96 1i45 h ALA 70 N 3.82 0.19 -2.90 5.17 0.00 -1.97 -3.43 119.26 120.14 1i45 h ALA 70 Ca -0.35 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 53.67 1i45 h ALA 70 Cb 1.18 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1i45 h ALA 70 CO 0.52 1.02 0.02 -1.54 0.00 0.00 0.00 179.25 179.27 1i45 s SER 71 N -7.04 -0.09 0.00 0.00 1.04 -1.26 -4.70 113.70 101.66 1i45 s SER 71 Ca -0.03 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1i45 s SER 71 Cb 0.08 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1i45 s SER 71 CO 0.87 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1i45 n GLY 72 N -0.43 0.80 2.97 7.32 0.00 -1.26 -4.94 105.19 109.65 1i45 n GLY 72 Ca -0.03 -2.01 -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 5.01 -3.22 4.61 0.00 -1.26 -4.67 120.51 119.98 1i45 n ALA 73 Ca 0.00 -3.96 -0.24 0.00 0.00 0.00 0.00 53.44 49.24 1i45 n ALA 73 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 19.45 15.94 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 6.23 0.58 -1.63 0.00 3.72 -1.26 -5.10 117.46 119.99 1i45 n PHE 74 Ca 0.49 -3.72 -0.49 0.00 -0.05 0.00 0.00 57.45 53.68 1i45 n PHE 74 Cb 0.40 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.09 0.02 -0.01 4.37 -1.04 -1.26 -2.33 114.28 115.12 1i45 n THR 75 Ca 0.23 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1i45 n THR 75 Cb 0.52 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 3.04 1.02 3.94 3.41 0.00 -1.26 -5.07 105.19 110.26 1i45 n GLY 76 Ca 0.18 0.00 -0.25 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 -0.66 2.54 0.11 1.61 0.41 -0.98 -5.10 118.70 116.63 1i45 s GLU 77 Ca 0.00 -0.35 0.06 0.00 -0.41 0.00 0.00 54.97 54.27 1i45 s GLU 77 Cb 0.00 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 1i45 s GLU 77 CO 0.00 -0.88 -0.02 -0.80 -0.49 0.00 0.00 175.26 173.07 1i45 s ASN 78 N -4.41 4.88 -0.01 -0.19 0.01 -1.26 -4.99 114.94 108.96 1i45 s ASN 78 Ca 0.57 -0.25 0.06 0.00 -0.71 0.00 0.00 52.86 52.53 1i45 s ASN 78 Cb -0.11 -1.11 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 1i45 s ASN 78 CO 0.43 0.16 -0.20 -0.55 -1.51 0.00 0.00 177.10 175.42 1i45 s SER 79 N -2.40 3.55 0.51 -1.22 0.15 -1.26 -1.10 113.70 111.93 1i45 s SER 79 Ca 0.25 -0.38 0.20 0.00 0.70 0.00 0.00 55.95 56.72 1i45 s SER 79 Cb -0.11 -0.56 1.32 0.00 -1.71 0.00 0.00 66.02 64.95 1i45 s SER 79 CO 0.18 0.31 2.11 -0.37 1.20 0.00 0.00 173.24 176.66 1i45 h VAL 80 N 4.30 0.89 0.00 4.45 -1.51 -1.85 -0.87 116.25 121.67 1i45 h VAL 80 Ca -0.45 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 64.64 1i45 h VAL 80 Cb 1.14 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1i45 h VAL 80 CO 0.48 0.08 -0.38 0.44 -1.23 0.00 0.00 177.57 176.96 1i45 h ASP 81 N 0.00 0.00 0.20 4.19 3.45 -1.93 -2.25 116.42 120.09 1i45 h ASP 81 Ca -0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 1i45 h ASP 81 Cb 0.16 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1i45 h ASP 81 CO 0.01 0.38 -0.69 1.56 -1.57 0.00 0.00 179.24 178.93 1i45 h GLN 82 N 0.00 0.44 0.05 3.56 4.20 -1.51 -0.99 115.11 120.86 1i45 h GLN 82 Ca -0.00 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1i45 h GLN 82 Cb 0.71 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1i45 h GLN 82 CO 0.05 0.97 -0.05 0.82 -0.67 0.00 0.00 178.83 179.94 1i45 h ILE 83 N 0.31 0.87 -0.48 2.54 2.04 -1.10 -2.50 117.51 119.19 1i45 h ILE 83 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1i45 h ILE 83 Cb 1.26 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1i45 h ILE 83 CO 0.12 0.00 0.18 0.11 0.00 0.00 0.00 178.15 178.56 1i45 h LYS 84 N -0.12 0.73 -0.99 2.37 1.57 -1.36 0.71 116.57 119.47 1i45 h LYS 84 Ca 0.01 -0.14 0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1i45 h LYS 84 Cb 0.12 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 1i45 h LYS 84 CO -0.02 0.67 0.62 0.22 -0.57 0.00 0.00 179.45 180.36 1i45 h ASP 85 N 0.64 0.77 -0.57 0.86 3.58 -0.93 -0.46 116.42 120.31 1i45 h ASP 85 Ca 0.16 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1i45 h ASP 85 Cb 0.23 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1i45 h ASP 85 CO -0.01 0.30 0.00 1.33 -2.88 0.00 0.00 179.24 177.98 1i45 n VAL 86 N -4.71 1.06 -0.66 2.25 0.24 -0.97 -4.93 118.33 110.62 1i45 n VAL 86 Ca 0.22 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1i45 n VAL 86 Cb 0.55 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 1.26 0.70 3.85 7.63 0.00 -0.18 -4.72 105.19 113.73 1i45 n GLY 87 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.26 3.06 0.00 4.61 0.00 0.23 -4.74 121.76 122.66 1i45 s ALA 88 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1i45 s ALA 88 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1i45 s ALA 88 CO 0.00 -0.48 0.00 1.63 0.00 0.00 0.00 175.76 176.91 1i45 n LYS 89 N -2.15 3.86 -4.32 0.00 4.76 0.67 -4.02 118.16 116.95 1i45 n LYS 89 Ca 0.06 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 1i45 n LYS 89 Cb 0.54 -0.69 -0.10 0.00 -1.84 0.00 0.00 35.03 32.93 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 -1.37 1.54 -0.11 2.13 1.51 -1.03 -1.26 117.35 118.75 1i45 s TYR 90 Ca 0.00 -1.12 -0.07 0.00 -1.01 0.00 0.00 57.07 54.87 1i45 s TYR 90 Cb 0.00 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1i45 s TYR 90 CO 0.00 -0.27 0.28 0.54 -1.11 0.00 0.00 175.55 174.99 1i45 s VAL 91 N -3.68 -0.03 -0.10 0.71 0.11 -0.58 -0.50 120.40 116.34 1i45 s VAL 91 Ca 0.35 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.26 1i45 s VAL 91 Cb 0.08 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1i45 s VAL 91 CO 0.12 0.04 0.75 -0.63 -3.33 0.00 0.00 175.10 172.05 1i45 s ILE 92 N 1.00 4.99 -0.02 7.04 1.01 0.33 -1.39 121.20 134.16 1i45 s ILE 92 Ca -0.07 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.13 1i45 s ILE 92 Cb -0.08 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1i45 s ILE 92 CO -0.07 0.18 -0.12 -0.76 0.00 0.00 0.00 174.94 174.17 1i45 s LEU 93 N 1.25 1.91 0.00 2.97 1.43 -0.71 -3.44 118.68 122.09 1i45 s LEU 93 Ca 0.38 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1i45 s LEU 93 Cb -0.18 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1i45 s LEU 93 CO 0.17 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1i45 n GLY 94 N 3.05 0.53 3.66 -3.19 0.00 -1.26 -1.15 105.19 106.83 1i45 n GLY 94 Ca -0.16 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.88 1.86 -0.23 1.61 -0.00 -1.26 -4.49 115.22 109.84 1i45 n HIS 95 Ca 0.00 0.57 0.23 0.00 0.46 0.00 0.00 57.72 58.98 1i45 n HIS 95 Cb 0.00 -2.34 0.58 0.00 -0.12 0.00 0.00 29.99 28.11 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 2.17 0.27 0.53 0.26 4.64 -1.93 0.63 113.55 120.12 1i45 h SER 96 Ca -0.45 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1i45 h SER 96 Cb 1.31 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1i45 h SER 96 CO 0.61 0.10 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.09 1i45 h GLU 97 N 0.27 0.00 0.04 4.77 5.08 -1.99 -0.25 114.58 122.50 1i45 h GLU 97 Ca 0.47 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.51 1i45 h GLU 97 Cb 1.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1i45 h GLU 97 CO -0.13 0.24 -1.80 0.54 -1.00 0.00 0.00 179.01 176.86 1i45 n ARG 98 N -3.70 0.67 -0.04 2.33 1.74 0.12 -2.36 116.66 115.41 1i45 n ARG 98 Ca -0.01 0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 57.31 1i45 n ARG 98 Cb 0.36 -1.77 0.17 0.00 -1.02 0.00 0.00 32.46 30.19 1i45 n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i45 h ARG 99 N 0.02 0.64 0.00 5.56 3.08 -1.10 -2.29 114.38 120.29 1i45 h ARG 99 Ca -0.33 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1i45 h ARG 99 Cb 2.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.02 1i45 h ARG 99 CO 0.08 0.77 -0.00 0.66 -1.07 0.00 0.00 179.97 180.42 1i45 h SER 100 N 0.58 0.00 -0.25 7.04 4.64 -1.17 -3.28 113.55 121.11 1i45 h SER 100 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1i45 h SER 100 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1i45 h SER 100 CO 0.04 0.00 0.08 1.88 -0.87 0.00 0.00 176.83 177.97 1i45 h TYR 101 N -0.01 0.45 -0.29 4.77 0.99 -1.64 -3.08 116.97 118.16 1i45 h TYR 101 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1i45 h TYR 101 Cb 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1i45 h TYR 101 CO -0.00 0.40 0.00 1.19 -0.00 0.00 0.00 178.16 179.75 1i45 n PHE 102 N -4.37 1.03 -4.48 4.88 3.72 -0.94 -4.99 117.46 112.32 1i45 n PHE 102 Ca 0.02 -0.86 -0.41 0.00 -0.05 0.00 0.00 57.45 56.14 1i45 n PHE 102 Cb 0.17 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.31 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 -0.40 -1.27 -2.68 1.38 8.25 -1.09 -4.89 115.22 114.52 1i45 n HIS 103 Ca 0.22 0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 57.96 1i45 n HIS 103 Cb 0.91 -2.11 -0.02 0.00 1.12 0.00 0.00 29.99 29.89 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 -7.19 3.96 0.78 -0.41 2.02 -0.91 -5.00 118.70 111.95 1i45 s GLU 104 Ca 0.78 0.88 -0.08 0.00 0.02 0.00 0.00 54.97 56.56 1i45 s GLU 104 Cb -0.45 -3.78 0.11 0.00 0.10 0.00 0.00 34.13 30.11 1i45 s GLU 104 CO 1.01 -0.98 1.10 0.16 0.02 0.00 0.00 175.26 176.57 1i45 s ASP 105 N 1.83 4.29 0.23 -0.19 1.47 -1.26 -4.39 116.67 118.65 1i45 s ASP 105 Ca 0.44 0.31 -0.06 0.00 1.18 0.00 0.00 52.55 54.41 1i45 s ASP 105 Cb -0.11 -0.75 0.40 0.00 -0.34 0.00 0.00 42.92 42.11 1i45 s ASP 105 CO 0.18 -1.95 1.72 0.44 0.68 0.00 0.00 175.17 176.24 1i45 h ASP 106 N -0.89 0.16 0.33 2.11 3.45 -1.95 -2.00 116.42 117.63 1i45 h ASP 106 Ca -0.43 0.11 -0.12 0.00 0.43 0.00 0.00 57.03 57.02 1i45 h ASP 106 Cb 1.29 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 40.16 1i45 h ASP 106 CO 0.52 0.06 -0.49 0.50 -1.57 0.00 0.00 179.24 178.26 1i45 h LYS 107 N 0.36 0.19 -0.50 3.56 3.64 -1.94 -1.52 116.57 120.37 1i45 h LYS 107 Ca 0.38 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1i45 h LYS 107 Cb 0.57 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1i45 h LYS 107 CO -0.41 0.65 0.25 0.35 -2.27 0.00 0.00 179.45 178.02 1i45 h PHE 108 N 0.15 0.70 -0.63 1.91 3.57 -1.75 0.12 116.94 121.02 1i45 h PHE 108 Ca 0.01 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1i45 h PHE 108 Cb 0.93 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1i45 h PHE 108 CO 0.01 0.55 0.02 0.82 -2.23 0.00 0.00 178.31 177.48 1i45 h ILE 109 N 0.66 1.27 -0.16 1.41 1.08 -1.26 -1.00 117.51 119.51 1i45 h ILE 109 Ca 0.17 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1i45 h ILE 109 Cb 0.10 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1i45 h ILE 109 CO -0.02 0.42 0.08 0.00 -0.69 0.00 0.00 178.15 177.94 1i45 h ALA 110 N 1.01 0.20 -0.70 1.87 0.00 -0.84 -0.01 119.26 120.79 1i45 h ALA 110 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i45 h ALA 110 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1i45 h ALA 110 CO 0.03 -0.26 0.41 -0.44 0.00 0.00 0.00 179.25 178.99 1i45 h ASP 111 N 0.15 0.85 -0.76 0.00 3.45 -0.61 -1.39 116.42 118.11 1i45 h ASP 111 Ca 0.05 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1i45 h ASP 111 Cb 0.08 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 1i45 h ASP 111 CO -0.01 0.67 0.26 0.11 -1.57 0.00 0.00 179.24 178.70 1i45 h LYS 112 N 0.96 1.17 -0.15 3.56 1.57 -0.97 -1.75 116.57 120.96 1i45 h LYS 112 Ca 0.25 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1i45 h LYS 112 Cb -0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1i45 h LYS 112 CO -0.05 0.98 0.01 1.15 -0.57 0.00 0.00 179.45 180.97 1i45 h THR 113 N 1.13 1.24 -0.57 -0.16 2.02 -0.57 0.33 112.91 116.32 1i45 h THR 113 Ca 0.25 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1i45 h THR 113 Cb 0.28 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1i45 h THR 113 CO -0.01 0.23 0.35 0.50 0.37 0.00 0.00 175.52 176.96 1i45 h LYS 114 N 0.02 0.68 -0.29 6.66 3.64 -1.18 -0.93 116.57 125.17 1i45 h LYS 114 Ca 0.04 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1i45 h LYS 114 Cb 0.34 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1i45 h LYS 114 CO 0.01 0.45 0.08 0.35 -2.27 0.00 0.00 179.45 178.07 1i45 h PHE 115 N 0.70 0.48 -0.20 1.91 3.57 -1.17 -0.80 116.94 121.43 1i45 h PHE 115 Ca 0.22 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1i45 h PHE 115 Cb -0.00 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1i45 h PHE 115 CO -0.05 0.51 0.10 0.00 -2.23 0.00 0.00 178.31 176.63 1i45 h ALA 116 N 0.91 0.24 -0.72 2.41 0.00 -0.64 -2.28 119.26 119.18 1i45 h ALA 116 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i45 h ALA 116 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1i45 h ALA 116 CO -0.00 -0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.26 1i45 h LEU 117 N 0.21 0.89 -2.64 0.00 3.38 -1.10 -1.48 115.31 114.58 1i45 h LEU 117 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i45 h LEU 117 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1i45 h LEU 117 CO -0.06 0.72 -0.00 1.23 0.09 0.00 0.00 178.44 180.42 1i45 h GLY 118 N 0.99 0.00 -1.49 0.83 0.00 -0.78 0.73 103.07 103.36 1i45 h GLY 118 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1i45 h GLY 118 CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 1i45 n GLN 119 N -3.57 2.07 -0.99 4.80 1.13 -0.63 -4.93 117.38 115.25 1i45 n GLN 119 Ca -0.03 -1.61 0.00 0.00 -1.94 0.00 0.00 57.00 53.42 1i45 n GLN 119 Cb 0.08 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.29 0.42 3.75 1.08 0.00 0.25 -5.03 105.19 106.95 1i45 n GLY 120 Ca 0.17 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 5.40 0.51 1.61 1.01 -0.75 -5.02 120.40 121.16 1i45 s VAL 121 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 1i45 s VAL 121 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1i45 s VAL 121 CO 0.00 0.47 1.14 -0.83 0.00 0.00 0.00 175.10 175.88 1i45 s GLY 122 N 0.11 2.69 -0.09 4.51 0.00 -0.39 -3.68 107.32 110.47 1i45 s GLY 122 Ca 0.09 0.86 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1i45 s GLY 122 CO -0.01 1.26 -0.24 0.14 0.00 0.00 0.00 173.10 174.25 1i45 s VAL 123 N -1.68 2.03 -0.72 1.40 1.01 -0.66 -1.53 120.40 120.25 1i45 s VAL 123 Ca 0.69 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1i45 s VAL 123 Cb -0.25 -1.75 0.18 0.00 0.00 0.00 0.00 36.38 34.56 1i45 s VAL 123 CO 0.30 0.56 0.67 -0.63 0.00 0.00 0.00 175.10 175.99 1i45 s ILE 124 N 0.27 5.45 -0.30 2.22 1.01 -0.49 -1.19 121.20 128.17 1i45 s ILE 124 Ca -0.16 -2.09 -0.27 0.00 0.00 0.00 0.00 60.65 58.13 1i45 s ILE 124 Cb -0.17 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 37.89 1i45 s ILE 124 CO 0.08 -0.97 0.98 -0.22 0.00 0.00 0.00 174.94 174.81 1i45 s LEU 125 N 0.74 4.01 -0.11 2.97 2.96 0.26 -1.75 118.68 127.76 1i45 s LEU 125 Ca 0.12 1.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.95 1i45 s LEU 125 Cb -0.18 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1i45 s LEU 125 CO -0.04 -0.75 0.18 0.00 -1.32 0.00 0.00 176.35 174.42 1i45 s ILE 127 N -0.80 0.04 0.00 0.00 -4.36 -0.48 -4.58 121.20 111.02 1i45 s ILE 127 Ca 0.15 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1i45 s ILE 127 Cb -0.13 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1i45 s ILE 127 CO 0.05 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1i45 n GLY 128 N -0.22 3.82 3.85 6.27 0.00 -1.26 0.20 105.19 117.84 1i45 n GLY 128 Ca -0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.51 3.03 0.80 1.61 1.03 -1.24 -4.87 118.70 116.55 1i45 s GLU 129 Ca 0.00 -0.94 -0.07 0.00 0.03 0.00 0.00 54.97 53.99 1i45 s GLU 129 Cb 0.00 -2.66 0.14 0.00 -0.80 0.00 0.00 34.13 30.81 1i45 s GLU 129 CO 0.00 0.43 1.10 0.95 -1.33 0.00 0.00 175.26 176.42 1i45 s THR 130 N -2.00 2.13 0.18 1.83 -4.23 -1.26 -2.62 115.64 109.66 1i45 s THR 130 Ca 0.33 -0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 1i45 s THR 130 Cb -0.09 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 71.04 1i45 s THR 130 CO 0.25 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.43 1i45 h LEU 131 N -0.91 0.66 -0.37 4.79 5.85 -1.97 0.16 115.31 123.51 1i45 h LEU 131 Ca -0.41 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1i45 h LEU 131 Cb 1.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1i45 h LEU 131 CO 0.44 0.47 0.17 -0.33 -0.34 0.00 0.00 178.44 178.85 1i45 h GLU 132 N 0.78 0.55 -0.69 1.25 3.07 -1.99 0.11 114.58 117.66 1i45 h GLU 132 Ca 0.21 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1i45 h GLU 132 Cb -0.09 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 1i45 h GLU 132 CO -0.05 0.50 0.17 0.93 -1.40 0.00 0.00 179.01 179.16 1i45 h GLU 133 N 0.46 1.09 0.05 2.33 5.08 -1.87 -0.92 114.58 120.80 1i45 h GLU 133 Ca 0.13 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1i45 h GLU 133 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i45 h GLU 133 CO -0.01 0.96 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.71 1i45 h LYS 134 N 1.04 -0.07 -0.44 2.33 1.63 -0.34 0.13 116.57 120.86 1i45 h LYS 134 Ca 0.22 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1i45 h LYS 134 Cb 0.36 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1i45 h LYS 134 CO 0.00 0.05 0.26 0.87 -3.45 0.00 0.00 179.45 177.19 1i45 h LYS 135 N -0.17 0.59 -0.01 1.90 1.57 -0.55 -0.00 116.57 119.90 1i45 h LYS 135 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i45 h LYS 135 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1i45 h LYS 135 CO 0.01 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 1i45 n ALA 136 N -2.47 2.65 -2.72 3.86 0.00 -0.37 -4.87 120.51 116.59 1i45 n ALA 136 Ca 0.03 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1i45 n ALA 136 Cb 0.08 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 0.93 -0.19 1.33 0.00 0.00 -0.01 -4.91 105.19 102.33 1i45 n GLY 137 Ca 0.19 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.99 3.34 -0.20 1.61 4.76 0.41 -4.67 118.16 120.43 1i45 n LYS 138 Ca -0.10 -2.71 -0.04 0.00 -2.87 0.00 0.00 58.31 52.59 1i45 n LYS 138 Cb 0.59 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 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 3.60 0.23 -0.48 -0.18 2.02 -1.85 0.47 112.91 116.72 1i45 h THR 139 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1i45 h THR 139 Cb 1.25 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1i45 h THR 139 CO 0.15 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.74 1i45 h LEU 140 N -0.12 1.03 -0.77 2.58 3.38 -1.95 -2.27 115.31 117.19 1i45 h LEU 140 Ca 0.25 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1i45 h LEU 140 Cb 0.53 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1i45 h LEU 140 CO -0.66 1.20 0.50 0.44 0.09 0.00 0.00 178.44 180.01 1i45 h ASP 141 N 0.86 0.84 0.31 -0.43 5.19 -1.64 -1.45 116.42 120.09 1i45 h ASP 141 Ca 0.11 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1i45 h ASP 141 Cb 0.81 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1i45 h ASP 141 CO 0.07 0.59 -0.15 0.58 -3.12 0.00 0.00 179.24 177.21 1i45 h VAL 142 N 0.99 0.69 -0.71 -1.35 2.07 -0.80 -0.78 116.25 116.35 1i45 h VAL 142 Ca 0.30 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1i45 h VAL 142 Cb -0.04 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1i45 h VAL 142 CO -0.09 0.11 0.43 -0.37 0.02 0.00 0.00 177.57 177.66 1i45 h VAL 143 N -0.75 1.20 -0.50 2.57 -1.51 -1.39 -0.03 116.25 115.84 1i45 h VAL 143 Ca -0.04 -0.44 -0.10 0.00 -1.23 0.00 0.00 66.70 64.88 1i45 h VAL 143 Cb 0.50 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 29.84 1i45 h VAL 143 CO 0.07 0.21 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.20 1i45 h GLU 144 N 0.98 0.94 -0.17 5.19 5.08 -1.26 -0.16 114.58 125.17 1i45 h GLU 144 Ca 0.26 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1i45 h GLU 144 Cb -0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1i45 h GLU 144 CO -0.05 1.01 0.08 -0.09 -1.00 0.00 0.00 179.01 178.96 1i45 h ARG 145 N 0.80 0.25 -0.60 2.33 2.43 -0.44 0.20 114.38 119.35 1i45 h ARG 145 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1i45 h ARG 145 Cb 0.65 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1i45 h ARG 145 CO 0.04 0.30 0.39 1.96 -1.51 0.00 0.00 179.97 181.16 1i45 h GLN 146 N 0.14 0.79 -0.36 0.20 4.20 -0.90 -2.43 115.11 116.75 1i45 h GLN 146 Ca 0.06 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1i45 h GLN 146 Cb 0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1i45 h GLN 146 CO -0.01 0.53 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.26 1i45 h LEU 147 N 0.81 0.93 -0.99 1.46 3.38 -0.85 -3.12 115.31 116.94 1i45 h LEU 147 Ca 0.22 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1i45 h LEU 147 Cb -0.08 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.33 1i45 h LEU 147 CO -0.05 1.21 0.64 0.78 0.09 0.00 0.00 178.44 181.11 1i45 h ASN 148 N 0.68 0.99 -0.66 -0.43 -0.26 -0.40 0.13 115.58 115.62 1i45 h ASN 148 Ca 0.06 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1i45 h ASN 148 Cb 0.94 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 1i45 h ASN 148 CO 0.09 0.61 0.41 0.00 -1.06 0.00 0.00 177.43 177.47 1i45 h ALA 149 N 1.47 0.84 -0.48 -0.83 0.00 -1.38 -1.66 119.26 117.22 1i45 h ALA 149 Ca 0.45 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1i45 h ALA 149 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i45 h ALA 149 CO -0.20 0.30 -0.18 0.28 0.00 0.00 0.00 179.25 179.45 1i45 h VAL 150 N 0.90 1.27 0.00 0.00 2.07 -1.22 -2.83 116.25 116.44 1i45 h VAL 150 Ca 0.24 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1i45 h VAL 150 Cb -0.05 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1i45 h VAL 150 CO -0.05 0.46 -0.00 -0.07 0.02 0.00 0.00 177.57 177.93 1i45 h LEU 151 N 0.82 0.00 -1.36 2.57 3.38 -0.28 0.40 115.31 120.84 1i45 h LEU 151 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1i45 h LEU 151 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1i45 h LEU 151 CO 0.06 0.00 0.04 -0.33 0.09 0.00 0.00 178.44 178.30 1i45 h GLU 152 N 0.00 0.46 0.00 1.13 4.39 -1.05 -3.24 114.58 116.27 1i45 h GLU 152 Ca -0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1i45 h GLU 152 Cb 0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1i45 h GLU 152 CO 0.00 0.46 -1.74 0.39 -1.16 0.00 0.00 179.01 176.96 1i45 n GLU 153 N -4.33 0.64 -4.15 2.33 -0.58 -0.44 -4.96 120.64 109.15 1i45 n GLU 153 Ca 0.01 -0.12 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 1i45 n GLU 153 Cb 0.20 -1.36 -0.16 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.96 2.07 -1.43 2.62 1.01 0.13 -4.82 120.40 117.03 1i45 s VAL 154 Ca -0.06 -0.94 0.16 0.00 0.00 0.00 0.00 61.98 61.14 1i45 s VAL 154 Cb 0.09 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1i45 s VAL 154 CO 0.63 0.54 0.84 0.29 0.00 0.00 0.00 175.10 177.40 1i45 n LYS 155 N 4.59 1.69 -3.76 2.72 4.76 -1.26 -4.34 118.16 122.55 1i45 n LYS 155 Ca -0.21 -0.77 -0.26 0.00 -2.87 0.00 0.00 58.31 54.20 1i45 n LYS 155 Cb 0.50 -1.27 -0.17 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.91 2.46 -0.17 4.39 3.68 -1.26 -5.01 116.67 118.85 1i45 s ASP 156 Ca 0.13 -0.56 0.14 0.00 2.13 0.00 0.00 52.55 54.39 1i45 s ASP 156 Cb 0.13 -0.58 0.70 0.00 -1.45 0.00 0.00 42.92 41.72 1i45 s ASP 156 CO 0.41 -0.26 1.59 0.49 0.13 0.00 0.00 175.17 177.53 1i45 n PHE 157 N 5.06 1.65 -0.31 -5.34 3.01 -1.26 -4.58 117.46 115.70 1i45 n PHE 157 Ca -0.09 -0.60 0.04 0.00 1.01 0.00 0.00 57.45 57.81 1i45 n PHE 157 Cb 0.48 -0.37 0.18 0.00 -0.01 0.00 0.00 39.48 39.77 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 3.63 0.91 -0.76 4.37 2.02 -1.95 -1.82 112.91 119.30 1i45 h THR 158 Ca 0.00 -0.29 -0.30 0.00 0.77 0.00 0.00 66.41 66.60 1i45 h THR 158 Cb 1.62 -0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.85 1i45 h THR 158 CO 0.35 0.15 0.35 -3.20 0.37 0.00 0.00 175.52 173.54 1i45 n ASN 159 N -4.72 4.25 -4.35 4.18 4.05 -1.26 -4.94 115.26 112.47 1i45 n ASN 159 Ca 0.15 -3.39 -0.29 0.00 0.45 0.00 0.00 54.58 51.50 1i45 n ASN 159 Cb 0.29 -0.76 -0.14 0.00 1.23 0.00 0.00 39.78 40.41 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 -3.11 2.14 -0.04 3.44 1.01 -0.68 -1.66 120.40 121.49 1i45 s VAL 160 Ca 0.54 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1i45 s VAL 160 Cb 0.45 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1i45 s VAL 160 CO 0.11 0.26 -0.09 0.68 0.00 0.00 0.00 175.10 176.06 1i45 s VAL 161 N -0.90 0.81 -0.17 2.92 -7.23 -0.34 -4.54 120.40 110.95 1i45 s VAL 161 Ca 0.12 -0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 1i45 s VAL 161 Cb -0.10 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 1i45 s VAL 161 CO 0.03 0.27 0.17 -0.69 -0.31 0.00 0.00 175.10 174.58 1i45 s VAL 162 N 0.55 5.39 -0.21 1.32 1.01 -0.59 -0.58 120.40 127.29 1i45 s VAL 162 Ca -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1i45 s VAL 162 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1i45 s VAL 162 CO 0.01 0.46 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 1i45 s ALA 163 N 0.12 2.67 -0.19 5.51 0.00 0.11 0.79 121.76 130.77 1i45 s ALA 163 Ca 0.11 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 1i45 s ALA 163 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1i45 s ALA 163 CO 0.01 -0.44 0.61 -0.47 0.00 0.00 0.00 175.76 175.47 1i45 s TYR 164 N 1.41 3.39 -0.31 0.00 5.04 -0.14 -1.38 117.35 125.37 1i45 s TYR 164 Ca 0.05 0.93 -0.06 0.00 -2.44 0.00 0.00 57.07 55.55 1i45 s TYR 164 Cb -0.14 -2.77 0.03 0.00 0.35 0.00 0.00 41.96 39.42 1i45 s TYR 164 CO -0.06 -0.13 0.06 -1.21 -1.34 0.00 0.00 175.55 172.87 1i45 s GLU 165 N 1.75 2.81 -1.35 4.97 2.02 0.13 0.64 118.70 129.68 1i45 s GLU 165 Ca 0.29 -1.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.08 1i45 s GLU 165 Cb -0.16 -3.34 0.08 0.00 0.10 0.00 0.00 34.13 30.81 1i45 s GLU 165 CO 0.11 -0.54 1.89 -0.35 0.02 0.00 0.00 175.26 176.39 1i45 n PRO 166 N 4.80 3.13 0.00 0.39 -0.04 -1.26 -3.73 135.00 138.28 1i45 n PRO 166 Ca -0.14 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.21 1i45 n PRO 166 Cb 0.46 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 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 5.54 0.00 0.00 0.52 0.31 -1.08 -4.02 118.33 119.61 1i45 n VAL 167 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1i45 n VAL 167 Cb 0.43 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 2.52 0.00 -2.57 3.52 0.00 -1.26 -4.58 120.51 118.14 1i45 n ALA 169 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 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 5.07 -1.68 0.00 1.01 -1.26 -4.47 121.20 119.88 1i45 s ILE 170 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1i45 s ILE 170 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1i45 s ILE 170 CO 0.00 -0.26 0.05 0.61 0.00 0.00 0.00 174.94 175.34 1i45 n GLY 171 N 5.11 -0.50 0.00 6.18 0.00 -1.26 -4.87 105.19 109.85 1i45 n GLY 171 Ca -0.11 0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.97 0.00 -0.41 2.61 -2.24 -1.26 -4.98 114.28 104.02 1i45 n THR 172 Ca -0.22 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1i45 n THR 172 Cb 0.67 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.32 0.76 3.89 3.38 0.00 -1.26 -5.05 105.19 108.23 1i45 n GLY 173 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 4.10 -0.02 0.99 1.43 -1.26 -5.12 118.68 118.79 1i45 s LEU 174 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1i45 s LEU 174 Cb 0.00 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1i45 s LEU 174 CO 0.00 0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.59 1i45 s ALA 175 N -1.88 0.21 0.37 4.21 0.00 -1.26 -4.68 121.76 118.72 1i45 s ALA 175 Ca 0.33 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 1i45 s ALA 175 Cb -0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1i45 s ALA 175 CO 0.27 -0.06 0.79 0.00 0.00 0.00 0.00 175.76 176.76 1i45 s ALA 176 N 0.79 3.27 0.36 0.00 0.00 -1.26 -5.09 121.76 119.83 1i45 s ALA 176 Ca -0.07 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.01 1i45 s ALA 176 Cb -0.10 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1i45 s ALA 176 CO -0.02 0.18 0.07 0.95 0.00 0.00 0.00 175.76 176.94 1i45 s THR 177 N -2.16 2.56 0.48 0.00 -4.23 -1.26 -4.99 115.64 106.04 1i45 s THR 177 Ca 0.55 -1.87 0.14 0.00 -1.18 0.00 0.00 61.69 59.33 1i45 s THR 177 Cb -0.10 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1i45 s THR 177 CO 0.21 -0.13 2.10 -0.65 -0.54 0.00 0.00 174.62 175.61 1i45 h PRO 178 N 1.67 0.20 -0.40 3.99 0.11 -1.99 -0.22 132.00 135.37 1i45 h PRO 178 Ca -0.43 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1i45 h PRO 178 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1i45 h PRO 178 CO 0.68 0.13 -0.26 0.93 -0.21 0.00 0.00 178.00 179.27 1i45 h GLU 179 N 0.20 0.83 -0.32 1.05 3.07 -1.95 -0.33 114.58 117.13 1i45 h GLU 179 Ca 0.09 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1i45 h GLU 179 Cb 0.10 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1i45 h GLU 179 CO -0.02 0.99 0.14 -0.44 -1.40 0.00 0.00 179.01 178.28 1i45 h ASP 180 N 0.71 0.44 0.06 1.42 3.45 -1.48 -1.83 116.42 119.19 1i45 h ASP 180 Ca 0.09 -0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1i45 h ASP 180 Cb 0.80 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1i45 h ASP 180 CO 0.07 0.47 -0.03 0.00 -1.57 0.00 0.00 179.24 178.18 1i45 h ALA 181 N 0.98 -0.08 -0.67 3.45 0.00 -0.97 -2.16 119.26 119.81 1i45 h ALA 181 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1i45 h ALA 181 Cb 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1i45 h ALA 181 CO -0.01 -0.55 0.38 0.37 0.00 0.00 0.00 179.25 179.45 1i45 h GLN 182 N -0.09 0.69 -0.07 0.00 5.75 -0.99 0.13 115.11 120.54 1i45 h GLN 182 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1i45 h GLN 182 Cb 0.07 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 1i45 h GLN 182 CO 0.01 0.46 0.04 -0.44 -2.65 0.00 0.00 178.83 176.26 1i45 h ASP 183 N 0.71 0.08 0.20 -0.69 3.32 -1.12 -0.97 116.42 117.96 1i45 h ASP 183 Ca 0.29 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 1i45 h ASP 183 Cb 0.15 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1i45 h ASP 183 CO -0.16 0.08 -0.67 -0.29 -1.72 0.00 0.00 179.24 176.48 1i45 h ILE 184 N 0.07 1.36 -0.49 0.35 6.09 -1.20 -2.39 117.51 121.31 1i45 h ILE 184 Ca 0.02 -2.03 -0.03 0.00 -1.37 0.00 0.00 64.86 61.46 1i45 h ILE 184 Cb 0.01 2.01 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 1i45 h ILE 184 CO -0.01 0.61 0.19 0.45 -3.07 0.00 0.00 178.15 176.33 1i45 h HIS 185 N 0.31 0.74 -0.70 2.19 3.86 -0.88 0.27 115.15 120.94 1i45 h HIS 185 Ca -0.02 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1i45 h HIS 185 Cb 1.22 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 1i45 h HIS 185 CO 0.04 0.63 0.38 0.00 0.86 0.00 0.00 177.93 179.84 1i45 h ALA 186 N 1.04 0.90 -0.61 2.45 0.00 -1.12 -0.60 119.26 121.33 1i45 h ALA 186 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1i45 h ALA 186 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i45 h ALA 186 CO -0.01 0.42 0.13 0.77 0.00 0.00 0.00 179.25 180.56 1i45 h SER 187 N 0.97 0.94 -0.57 0.00 0.02 -1.13 -1.03 113.55 112.74 1i45 h SER 187 Ca 0.25 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1i45 h SER 187 Cb 0.05 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1i45 h SER 187 CO -0.04 0.94 0.22 0.40 -1.14 0.00 0.00 176.83 177.21 1i45 h ILE 188 N 0.90 1.23 -0.59 3.27 2.04 -0.57 -1.11 117.51 122.68 1i45 h ILE 188 Ca 0.19 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 1i45 h ILE 188 Cb 0.38 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1i45 h ILE 188 CO 0.01 0.28 0.02 -0.09 0.00 0.00 0.00 178.15 178.36 1i45 h ARG 189 N 0.79 1.02 -0.62 2.37 2.43 -0.91 -0.84 114.38 118.62 1i45 h ARG 189 Ca 0.19 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1i45 h ARG 189 Cb 0.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1i45 h ARG 189 CO -0.01 1.00 0.02 -0.22 -1.51 0.00 0.00 179.97 179.25 1i45 h LYS 190 N 0.92 1.07 0.14 0.20 3.64 -1.00 -0.51 116.57 121.03 1i45 h LYS 190 Ca 0.17 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1i45 h LYS 190 Cb 0.53 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1i45 h LYS 190 CO 0.03 1.03 -0.07 0.35 -2.27 0.00 0.00 179.45 178.52 1i45 h PHE 191 N 0.98 -0.18 0.00 1.91 3.57 -1.03 -2.63 116.94 119.56 1i45 h PHE 191 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1i45 h PHE 191 Cb 0.53 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1i45 h PHE 191 CO 0.04 0.01 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.99 1i45 h LEU 192 N -0.34 0.00 -0.93 0.59 3.38 -1.01 -1.66 115.31 115.34 1i45 h LEU 192 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1i45 h LEU 192 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1i45 h LEU 192 CO 0.03 0.07 -0.09 0.00 0.09 0.00 0.00 178.44 178.55 1i45 h ALA 193 N 1.93 1.10 0.00 1.53 0.00 -0.73 0.49 119.26 123.58 1i45 h ALA 193 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1i45 h ALA 193 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i45 h ALA 193 CO 0.01 0.56 -0.23 0.66 0.00 0.00 0.00 179.25 180.25 1i45 h SER 194 N 0.63 0.00 0.05 0.00 4.64 -1.04 0.29 113.55 118.12 1i45 h SER 194 Ca 0.11 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.06 1i45 h SER 194 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 1i45 h SER 194 CO 0.03 0.23 -2.21 0.29 -0.87 0.00 0.00 176.83 174.30 1i45 n LYS 195 N -3.52 0.68 0.00 4.77 4.76 -0.88 -4.61 118.16 119.38 1i45 n LYS 195 Ca -0.01 0.23 0.07 0.00 -2.87 0.00 0.00 58.31 55.74 1i45 n LYS 195 Cb 0.39 -1.61 -0.08 0.00 -1.84 0.00 0.00 35.03 31.88 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 -3.51 0.71 0.00 -0.35 4.77 0.16 -5.10 117.00 113.69 1i45 n LEU 196 Ca -0.40 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1i45 n LEU 196 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1i45 n LEU 196 CO 0.31 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1i45 n GLY 197 N 1.35 1.71 0.32 -0.72 0.00 0.10 -4.45 105.19 103.50 1i45 n GLY 197 Ca 0.03 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.43 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 0.65 -0.03 1.61 3.32 -1.90 -2.25 116.42 117.82 1i45 h ASP 198 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1i45 h ASP 198 Cb 0.00 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1i45 h ASP 198 CO 0.00 0.32 0.02 0.50 -1.72 0.00 0.00 179.24 178.36 1i45 h LYS 199 N 0.74 0.05 -0.64 3.56 3.64 -1.93 -0.02 116.57 121.97 1i45 h LYS 199 Ca 0.45 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1i45 h LYS 199 Cb 0.54 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1i45 h LYS 199 CO -0.31 0.05 0.31 0.00 -2.27 0.00 0.00 179.45 177.23 1i45 h ALA 200 N 0.99 0.82 -0.31 5.00 0.00 -1.72 -2.50 119.26 121.54 1i45 h ALA 200 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1i45 h ALA 200 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1i45 h ALA 200 CO -0.00 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.64 1i45 h ALA 201 N 1.14 1.45 0.00 0.00 0.00 -1.17 -2.09 119.26 118.60 1i45 h ALA 201 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i45 h ALA 201 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i45 h ALA 201 CO -0.03 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.27 1i45 h SER 202 N 0.45 0.00 0.24 0.00 4.64 -0.57 -3.02 113.55 115.30 1i45 h SER 202 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1i45 h SER 202 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1i45 h SER 202 CO 0.01 0.00 -1.21 -0.62 -0.87 0.00 0.00 176.83 174.14 1i45 n GLU 203 N -3.01 0.29 -2.31 4.77 1.02 -0.84 -4.74 120.64 115.82 1i45 n GLU 203 Ca 0.02 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 1i45 n GLU 203 Cb 0.37 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 -3.81 4.33 -0.10 -4.62 2.96 -0.86 -4.92 118.68 111.67 1i45 s LEU 204 Ca 0.02 2.07 -0.25 0.00 -0.22 0.00 0.00 54.13 55.75 1i45 s LEU 204 Cb 0.15 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 1i45 s LEU 204 CO 0.84 -0.61 0.79 -0.13 -1.32 0.00 0.00 176.35 175.91 1i45 s ARG 205 N 1.78 4.40 -0.26 1.98 3.00 -1.26 -5.00 118.95 123.59 1i45 s ARG 205 Ca 0.61 1.00 -0.00 0.00 0.00 0.00 0.00 55.73 57.34 1i45 s ARG 205 Cb -0.30 -3.50 0.04 0.00 0.00 0.00 0.00 34.95 31.19 1i45 s ARG 205 CO 0.27 -0.10 -0.07 0.42 0.00 0.00 0.00 175.30 175.82 1i45 s ILE 206 N 1.34 2.65 0.06 1.52 1.01 -1.26 -1.55 121.20 124.98 1i45 s ILE 206 Ca 0.40 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1i45 s ILE 206 Cb -0.18 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1i45 s ILE 206 CO 0.17 0.11 0.37 -0.76 0.00 0.00 0.00 174.94 174.83 1i45 s LEU 207 N 1.25 4.36 -0.15 2.97 1.43 0.24 -1.10 118.68 127.68 1i45 s LEU 207 Ca -0.03 0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.56 1i45 s LEU 207 Cb -0.18 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1i45 s LEU 207 CO -0.05 0.20 0.81 -0.47 0.23 0.00 0.00 176.35 177.07 1i45 s TYR 208 N -1.36 3.45 -0.70 0.29 5.04 -0.21 -0.97 117.35 122.89 1i45 s TYR 208 Ca 0.31 1.25 0.15 0.00 -2.44 0.00 0.00 57.07 56.34 1i45 s TYR 208 Cb -0.14 -2.97 0.48 0.00 0.35 0.00 0.00 41.96 39.68 1i45 s TYR 208 CO 0.17 -0.18 1.40 0.41 -1.34 0.00 0.00 175.55 176.02 1i45 n GLY 209 N 3.41 3.23 0.00 8.97 0.00 0.21 -1.67 105.19 119.33 1i45 n GLY 209 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.28 -0.68 3.60 -0.02 0.00 -1.25 -4.65 105.19 102.47 1i45 n GLY 210 Ca 0.18 -1.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.73 3.35 -3.93 1.61 2.88 -1.26 -4.82 113.62 108.72 1i45 n SER 211 Ca 0.00 0.44 -0.27 0.00 -1.33 0.00 0.00 58.87 57.71 1i45 n SER 211 Cb 0.00 -1.50 -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 7.04 1.35 0.32 -1.46 0.00 -1.26 -5.02 121.76 122.74 1i45 s ALA 212 Ca 0.99 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1i45 s ALA 212 Cb -0.44 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1i45 s ALA 212 CO 0.40 -0.33 0.27 0.54 0.00 0.00 0.00 175.76 176.64 1i45 s ASN 213 N 1.52 1.59 0.43 0.00 2.20 -1.26 -4.52 114.94 114.90 1i45 s ASN 213 Ca 0.02 -1.74 0.11 0.00 -0.94 0.00 0.00 52.86 50.31 1i45 s ASN 213 Cb -0.13 0.55 0.98 0.00 -2.00 0.00 0.00 41.25 40.64 1i45 s ASN 213 CO -0.06 -1.05 2.02 1.23 -2.94 0.00 0.00 177.10 176.29 1i45 h GLY 214 N 2.16 0.54 1.09 0.45 0.00 -1.94 -0.78 103.07 104.59 1i45 h GLY 214 Ca -0.26 -0.18 -0.20 0.00 0.00 0.00 0.00 47.33 46.70 1i45 h GLY 214 CO 0.37 0.14 -0.68 1.76 0.00 0.00 0.00 176.54 178.13 1i45 h SER 215 N 0.44 0.86 -0.02 0.19 0.02 -1.96 -3.37 113.55 109.72 1i45 h SER 215 Ca 0.21 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1i45 h SER 215 Cb 0.27 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1i45 h SER 215 CO -0.05 1.34 -0.36 -0.46 -1.14 0.00 0.00 176.83 176.15 1i45 n ASN 216 N -4.03 1.95 -0.19 3.07 0.23 -1.11 -4.57 115.26 110.62 1i45 n ASN 216 Ca -0.07 -1.48 -0.01 0.00 -0.53 0.00 0.00 54.58 52.49 1i45 n ASN 216 Cb 0.69 0.42 0.09 0.00 -2.08 0.00 0.00 39.78 38.91 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 3.47 0.70 -0.15 -2.53 0.00 -1.30 -1.39 119.26 118.06 1i45 h ALA 217 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1i45 h ALA 217 Cb 0.69 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i45 h ALA 217 CO 0.00 -0.25 0.17 -0.24 0.00 0.00 0.00 179.25 178.93 1i45 h VAL 218 N 0.33 0.50 0.00 0.00 3.04 -1.80 -1.88 116.25 116.43 1i45 h VAL 218 Ca 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1i45 h VAL 218 Cb 0.38 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1i45 h VAL 218 CO -0.33 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 176.58 1i45 n THR 219 N -3.84 0.55 0.66 3.17 -2.24 -0.52 -1.94 114.28 110.13 1i45 n THR 219 Ca 0.01 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 1i45 n THR 219 Cb 0.28 -0.88 0.06 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.29 0.00 0.04 4.78 3.72 -0.71 -4.71 117.46 119.30 1i45 n PHE 220 Ca 0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 1i45 n PHE 220 Cb 0.13 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.23 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 2.91 0.23 -0.64 -1.08 2.10 -1.51 -2.68 116.57 115.91 1i45 h LYS 221 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1i45 h LYS 221 Cb 0.64 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1i45 h LYS 221 CO 0.00 0.15 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 1i45 n ASP 222 N -4.47 4.36 -4.50 7.07 8.00 -1.26 -4.86 116.55 120.89 1i45 n ASP 222 Ca 0.05 -2.30 -0.43 0.00 0.71 0.00 0.00 54.79 52.82 1i45 n ASP 222 Cb 0.29 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.56 3.27 0.51 -1.24 -0.14 -1.01 -4.93 119.74 114.63 1i45 s LYS 223 Ca 0.48 -0.45 0.27 0.00 -1.36 0.00 0.00 55.97 54.91 1i45 s LYS 223 Cb 0.29 -4.07 1.37 0.00 -1.68 0.00 0.00 37.83 33.75 1i45 s LYS 223 CO 0.26 -1.41 1.90 0.00 -0.76 0.00 0.00 175.35 175.35 1i45 h ALA 224 N 9.22 2.63 -0.42 5.17 0.00 -1.89 -2.30 119.26 131.67 1i45 h ALA 224 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1i45 h ALA 224 Cb 1.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1i45 h ALA 224 CO 1.05 -0.87 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 1i45 n ASP 225 N -4.35 3.50 -4.47 0.00 9.92 -1.26 -4.80 116.55 115.10 1i45 n ASP 225 Ca 0.17 -1.99 -0.43 0.00 -0.53 0.00 0.00 54.79 52.01 1i45 n ASP 225 Cb 0.83 -0.27 -0.10 0.00 -0.64 0.00 0.00 41.12 40.94 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 -1.41 5.24 -2.19 2.53 1.01 -0.87 -4.62 120.40 120.09 1i45 s VAL 226 Ca 0.39 -0.58 0.23 0.00 0.00 0.00 0.00 61.98 62.02 1i45 s VAL 226 Cb 0.23 -3.93 0.56 0.00 0.00 0.00 0.00 36.38 33.24 1i45 s VAL 226 CO 0.31 -0.30 1.49 0.47 0.00 0.00 0.00 175.10 177.07 1i45 n ASP 227 N 5.22 3.73 0.00 3.32 10.43 -0.26 -4.88 116.55 134.10 1i45 n ASP 227 Ca -0.11 -2.00 0.00 0.00 2.57 0.00 0.00 54.79 55.26 1i45 n ASP 227 Cb 0.47 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 43.04 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 1.60 -0.25 3.13 0.44 0.00 -1.25 -1.68 105.19 107.17 1i45 n GLY 228 Ca 0.22 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.98 0.31 -0.51 1.61 0.08 -0.50 -1.04 117.98 114.95 1i45 s PHE 229 Ca 0.00 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.33 1i45 s PHE 229 Cb 0.00 -0.22 0.13 0.00 -0.57 0.00 0.00 43.02 42.36 1i45 s PHE 229 CO 0.00 -0.42 0.26 -1.17 -0.10 0.00 0.00 175.22 173.79 1i45 s LEU 230 N -2.62 4.56 0.33 -0.37 2.96 -0.67 -0.63 118.68 122.24 1i45 s LEU 230 Ca 0.02 -2.84 -0.27 0.00 -0.22 0.00 0.00 54.13 50.82 1i45 s LEU 230 Cb 0.04 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.95 1i45 s LEU 230 CO -0.08 -0.28 1.06 -0.69 -1.32 0.00 0.00 176.35 175.03 1i45 s VAL 231 N -0.04 3.67 0.00 1.68 1.01 0.37 -4.56 120.40 122.53 1i45 s VAL 231 Ca 0.16 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1i45 s VAL 231 Cb -0.24 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1i45 s VAL 231 CO -0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1i45 n GLY 232 N 0.83 0.39 0.45 4.51 0.00 -1.26 -0.69 105.19 109.42 1i45 n GLY 232 Ca 0.01 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 0.54 2.00 -0.02 0.00 -1.91 -0.85 103.07 102.82 1i45 h GLY 233 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1i45 h GLY 233 CO 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.46 1i45 h ALA 234 N 1.55 1.07 0.00 3.60 0.00 -1.90 -2.23 119.26 121.36 1i45 h ALA 234 Ca 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1i45 h ALA 234 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1i45 h ALA 234 CO -0.13 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 1i45 n SER 235 N -3.24 0.16 -0.19 0.00 3.41 -0.33 -1.37 113.62 112.07 1i45 n SER 235 Ca -0.01 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1i45 n SER 235 Cb 0.22 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.68 1.07 -4.73 1.04 4.77 -0.84 -4.89 117.00 111.73 1i45 n LEU 236 Ca 0.03 -0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 1i45 n LEU 236 Cb 0.17 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1i45 n LEU 236 CO 0.14 0.22 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.70 1i45 s LYS 237 N -2.70 2.29 0.45 3.23 1.02 -0.47 -4.95 119.74 118.61 1i45 s LYS 237 Ca 0.17 -1.69 0.14 0.00 0.02 0.00 0.00 55.97 54.62 1i45 s LYS 237 Cb 0.18 -2.08 1.07 0.00 -0.52 0.00 0.00 37.83 36.47 1i45 s LYS 237 CO 0.63 0.00 2.01 -1.35 -0.92 0.00 0.00 175.35 175.73 1i45 h PRO 238 N 1.49 0.33 0.00 -1.68 0.11 -1.93 -1.82 132.00 128.51 1i45 h PRO 238 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i45 h PRO 238 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i45 h PRO 238 CO 0.66 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1i45 n GLU 239 N -4.47 0.03 -0.18 1.05 0.28 -1.26 -1.56 120.64 114.53 1i45 n GLU 239 Ca 0.07 0.49 0.03 0.00 -0.16 0.00 0.00 57.16 57.59 1i45 n GLU 239 Cb 0.31 -1.58 0.30 0.00 1.43 0.00 0.00 31.44 31.90 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 0.84 -0.84 -1.84 3.57 -1.37 -0.70 116.94 116.61 1i45 h PHE 240 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1i45 h PHE 240 Cb 0.04 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1i45 h PHE 240 CO 0.00 0.51 0.38 0.28 -2.23 0.00 0.00 178.31 177.25 1i45 h VAL 241 N 0.89 1.26 -0.69 1.41 2.07 -1.51 -2.10 116.25 117.58 1i45 h VAL 241 Ca 0.27 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1i45 h VAL 241 Cb -0.01 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1i45 h VAL 241 CO -0.07 0.32 0.28 0.44 0.02 0.00 0.00 177.57 178.56 1i45 h ASP 242 N 1.20 0.92 -0.44 0.57 3.45 -1.31 -1.88 116.42 118.93 1i45 h ASP 242 Ca 0.29 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1i45 h ASP 242 Cb 0.14 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1i45 h ASP 242 CO -0.03 0.82 0.18 0.40 -1.57 0.00 0.00 179.24 179.04 1i45 h ILE 243 N 0.99 1.20 -0.50 0.35 2.04 -0.84 -0.61 117.51 120.14 1i45 h ILE 243 Ca 0.23 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1i45 h ILE 243 Cb 0.18 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1i45 h ILE 243 CO -0.02 0.22 0.33 0.40 0.00 0.00 0.00 178.15 179.08 1i45 h ILE 244 N 0.56 1.10 -0.58 -0.67 2.04 -0.94 -1.76 117.51 117.27 1i45 h ILE 244 Ca 0.15 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1i45 h ILE 244 Cb 0.17 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1i45 h ILE 244 CO -0.01 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.84 1i45 n ASN 245 N -4.47 3.16 0.00 1.72 4.13 -0.75 -4.52 115.26 114.54 1i45 n ASN 245 Ca 0.05 -1.99 0.02 0.00 1.68 0.00 0.00 54.58 54.33 1i45 n ASN 245 Cb 0.09 -0.39 0.08 0.00 -1.54 0.00 0.00 39.78 38.02 1i45 n ASN 245 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1i45 n SER 246 N 1.23 0.02 -0.39 6.41 3.41 -0.28 -2.39 113.62 121.63 1i45 n SER 246 Ca 0.20 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 1i45 n SER 246 Cb 0.50 -0.51 0.18 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.52 1.61 0.00 4.33 1.74 -1.26 -4.51 116.66 117.05 1i45 n ARG 247 Ca 0.01 -2.84 0.16 0.00 -0.77 0.00 0.00 57.85 54.41 1i45 n ARG 247 Cb 0.04 -1.60 0.92 0.00 -1.02 0.00 0.00 32.46 30.80 1i45 n ARG 247 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20