#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2s n SER 3 N 0.00 -0.54 -4.73 2.55 3.41 -1.26 -4.89 113.62 108.16 1r2s n SER 3 Ca 0.00 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 1r2s n SER 3 Cb 0.00 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 62.52 1r2s n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r2s s ARG 4 N -4.12 4.27 0.23 4.33 0.52 -1.26 -5.05 118.95 117.87 1r2s s ARG 4 Ca 0.64 0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 55.85 1r2s s ARG 4 Cb -0.24 -3.41 -0.11 0.00 0.52 0.00 0.00 34.95 31.71 1r2s s ARG 4 CO 0.61 0.23 1.59 0.21 0.02 0.00 0.00 175.30 177.96 1r2s s LYS 5 N 0.42 4.17 0.19 3.54 2.20 -1.26 -4.93 119.74 124.07 1r2s s LYS 5 Ca 0.22 2.48 -0.31 0.00 -0.36 0.00 0.00 55.97 58.00 1r2s s LYS 5 Cb -0.14 -3.08 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 1r2s s LYS 5 CO 0.08 -0.62 1.55 0.12 -0.36 0.00 0.00 175.35 176.12 1r2s s PHE 6 N 0.60 3.03 -0.13 4.03 5.36 -1.06 -4.85 117.98 124.96 1r2s s PHE 6 Ca 0.67 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.37 1r2s s PHE 6 Cb -0.46 -3.93 0.01 0.00 -0.34 0.00 0.00 43.02 38.30 1r2s s PHE 6 CO 0.39 -3.33 -0.22 0.12 -1.46 0.00 0.00 175.22 170.72 1r2s s PHE 7 N 0.86 2.60 -0.16 10.12 5.36 -0.73 -0.20 117.98 135.83 1r2s s PHE 7 Ca 0.68 -1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1r2s s PHE 7 Cb -0.44 -1.77 0.04 0.00 -0.34 0.00 0.00 43.02 40.51 1r2s s PHE 7 CO 0.35 -0.56 -0.06 0.08 -1.46 0.00 0.00 175.22 173.56 1r2s s VAL 8 N 0.71 1.17 -0.08 3.12 1.01 -0.19 -0.94 120.40 125.20 1r2s s VAL 8 Ca -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1r2s s VAL 8 Cb -0.16 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1r2s s VAL 8 CO 0.01 0.16 -0.17 -0.83 0.00 0.00 0.00 175.10 174.27 1r2s s GLY 9 N 1.61 1.46 -0.35 4.51 0.00 0.20 -1.36 107.32 113.39 1r2s s GLY 9 Ca 0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 1r2s s GLY 9 CO -0.08 -0.50 0.14 -0.32 0.00 0.00 0.00 173.10 172.34 1r2s s GLY 10 N -0.13 1.87 -0.55 0.20 0.00 0.11 -0.08 107.32 108.75 1r2s s GLY 10 Ca -0.02 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.68 1r2s s GLY 10 CO 0.04 0.81 0.78 0.21 0.00 0.00 0.00 173.10 174.94 1r2s s ASN 11 N 1.51 6.25 0.00 1.64 2.47 0.58 -0.79 114.94 126.61 1r2s s ASN 11 Ca -0.00 -0.77 0.19 0.00 0.42 0.00 0.00 52.86 52.70 1r2s s ASN 11 Cb -0.20 -2.36 0.86 0.00 -1.45 0.00 0.00 41.25 38.11 1r2s s ASN 11 CO 0.03 -1.10 1.61 0.79 -3.72 0.00 0.00 177.10 174.72 1r2s n TRP 12 N 6.83 0.00 -1.46 0.43 8.01 -0.66 -4.54 117.44 126.04 1r2s n TRP 12 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1r2s n TRP 12 Cb 0.46 -0.44 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 1r2s n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r2s n LYS 13 N -1.44 0.00 -2.72 -0.99 5.02 -1.26 -3.14 118.16 113.63 1r2s n LYS 13 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1r2s n LYS 13 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.22 1r2s n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1r2s n MET 14 N 12.15 4.56 -3.99 1.97 0.00 -1.26 -3.92 117.12 126.63 1r2s n MET 14 Ca 0.00 -4.31 -0.13 0.00 0.00 0.00 0.00 57.70 53.27 1r2s n MET 14 Cb 0.00 -2.59 -0.13 0.00 0.00 0.00 0.00 33.22 30.50 1r2s n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1r2s s ASN 15 N -1.06 0.29 0.00 6.12 0.01 -1.19 -5.12 114.94 114.00 1r2s s ASN 15 Ca 0.36 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1r2s s ASN 15 Cb 0.10 0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1r2s s ASN 15 CO 0.02 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 1r2s n GLY 16 N 2.62 2.48 3.68 0.66 0.00 -1.26 -4.74 105.19 108.63 1r2s n GLY 16 Ca -0.15 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1r2s n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r2s s ARG 17 N -3.78 2.06 0.50 1.61 1.81 -1.26 -5.00 118.95 114.89 1r2s s ARG 17 Ca 0.00 -2.24 0.23 0.00 -1.72 0.00 0.00 55.73 52.00 1r2s s ARG 17 Cb 0.00 -1.58 1.31 0.00 -0.45 0.00 0.00 34.95 34.23 1r2s s ARG 17 CO 0.00 -0.19 1.96 0.87 -0.68 0.00 0.00 175.30 177.25 1r2s h LYS 18 N 1.58 0.12 0.34 3.54 1.57 -1.98 -1.93 116.57 119.81 1r2s h LYS 18 Ca -0.44 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1r2s h LYS 18 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1r2s h LYS 18 CO 0.78 0.08 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.35 1r2s h LYS 19 N 0.12 -0.44 0.00 3.15 3.64 -2.00 -2.61 116.57 118.43 1r2s h LYS 19 Ca 0.31 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1r2s h LYS 19 Cb 1.06 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1r2s h LYS 19 CO -0.04 -0.28 -0.06 -2.95 -2.27 0.00 0.00 179.45 173.85 1r2s h ASN 20 N -1.12 0.00 0.76 4.20 -1.07 -1.96 -2.55 115.58 113.84 1r2s h ASN 20 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.15 1r2s h ASN 20 Cb 0.36 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.59 1r2s h ASN 20 CO 0.08 0.06 -0.80 -0.07 0.07 0.00 0.00 177.43 176.76 1r2s h LEU 21 N 0.00 0.03 -1.11 6.14 3.38 -1.46 -2.43 115.31 119.87 1r2s h LEU 21 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1r2s h LEU 21 Cb 0.65 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1r2s h LEU 21 CO 0.01 0.82 -0.29 1.23 0.09 0.00 0.00 178.44 180.29 1r2s h GLY 22 N 2.30 0.28 0.35 0.83 0.00 -1.05 0.42 103.07 106.19 1r2s h GLY 22 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1r2s h GLY 22 CO 0.11 0.20 -0.01 0.83 0.00 0.00 0.00 176.54 177.67 1r2s h GLU 23 N 0.23 -0.03 -0.99 4.80 5.08 -1.55 -2.21 114.58 119.91 1r2s h GLU 23 Ca 0.03 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.58 1r2s h GLU 23 Cb 0.64 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1r2s h GLU 23 CO 0.05 0.59 0.61 1.25 -1.00 0.00 0.00 179.01 180.51 1r2s h LEU 24 N -0.68 0.75 -0.52 1.33 5.85 -1.23 -1.54 115.31 119.27 1r2s h LEU 24 Ca -0.00 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1r2s h LEU 24 Cb 0.63 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1r2s h LEU 24 CO 0.01 0.29 -0.16 0.40 -0.34 0.00 0.00 178.44 178.63 1r2s h ILE 25 N 0.74 1.27 -0.26 4.05 2.04 -0.87 -2.17 117.51 122.31 1r2s h ILE 25 Ca 0.56 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1r2s h ILE 25 Cb 0.89 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1r2s h ILE 25 CO -0.34 0.47 -0.04 0.74 0.00 0.00 0.00 178.15 178.97 1r2s h THR 26 N 0.90 1.18 -0.16 -0.27 2.02 -0.68 0.52 112.91 116.43 1r2s h THR 26 Ca 0.13 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1r2s h THR 26 Cb 0.74 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1r2s h THR 26 CO 0.06 0.25 -0.11 0.74 0.37 0.00 0.00 175.52 176.83 1r2s h THR 27 N 0.38 1.33 -0.61 3.16 2.02 -1.04 -2.99 112.91 115.15 1r2s h THR 27 Ca 0.08 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 1r2s h THR 27 Cb 0.33 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1r2s h THR 27 CO 0.01 0.36 0.07 -0.07 0.37 0.00 0.00 175.52 176.25 1r2s h LEU 28 N 0.00 1.01 -1.98 2.58 3.38 -1.09 -2.87 115.31 116.35 1r2s h LEU 28 Ca 0.03 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1r2s h LEU 28 Cb 0.61 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1r2s h LEU 28 CO 0.03 1.03 0.15 0.78 0.09 0.00 0.00 178.44 180.53 1r2s h ASN 29 N 0.95 0.03 0.69 -0.43 2.35 -0.89 -2.03 115.58 116.24 1r2s h ASN 29 Ca 0.18 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 1r2s h ASN 29 Cb 0.48 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1r2s h ASN 29 CO 0.02 0.02 -0.95 0.00 -1.65 0.00 0.00 177.43 174.87 1r2s h ALA 30 N 1.89 0.44 -2.89 -0.83 0.00 -1.36 -3.47 119.26 113.05 1r2s h ALA 30 Ca 0.10 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.70 1r2s h ALA 30 Cb 0.37 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 18.15 1r2s h ALA 30 CO -0.00 0.99 0.69 0.00 0.00 0.00 0.00 179.25 180.92 1r2s s ALA 31 N -3.03 3.53 -0.19 0.00 0.00 -0.76 -4.99 121.76 116.32 1r2s s ALA 31 Ca -0.02 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.06 1r2s s ALA 31 Cb 0.10 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1r2s s ALA 31 CO 0.83 -0.76 0.72 0.21 0.00 0.00 0.00 175.76 176.76 1r2s s LYS 32 N -1.75 4.24 -0.32 0.00 2.20 -1.26 -5.03 119.74 117.82 1r2s s LYS 32 Ca 0.51 0.78 -0.16 0.00 -0.36 0.00 0.00 55.97 56.74 1r2s s LYS 32 Cb -0.42 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1r2s s LYS 32 CO 0.55 -0.28 0.44 0.08 -0.36 0.00 0.00 175.35 175.77 1r2s s VAL 33 N 2.04 5.10 0.54 4.02 1.01 -1.26 -5.01 120.40 126.84 1r2s s VAL 33 Ca 0.33 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 1r2s s VAL 33 Cb -0.16 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1r2s s VAL 33 CO 0.11 -0.07 0.66 -2.65 0.00 0.00 0.00 175.10 173.14 1r2s n PRO 34 N 5.53 0.67 -0.14 2.72 -0.02 -1.26 -4.90 135.00 137.59 1r2s n PRO 34 Ca -0.07 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.63 1r2s n PRO 34 Cb 0.49 -1.79 0.04 0.00 -0.02 0.00 0.00 33.50 32.22 1r2s n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r2s h ALA 35 N 0.49 0.36 -1.02 3.55 0.00 -2.01 -2.77 119.26 117.86 1r2s h ALA 35 Ca -0.45 0.16 -0.74 0.00 0.00 0.00 0.00 54.91 53.88 1r2s h ALA 35 Cb 1.39 0.31 -0.28 0.00 0.00 0.00 0.00 17.79 19.20 1r2s h ALA 35 CO 0.49 -0.43 0.93 -0.25 0.00 0.00 0.00 179.25 180.00 1r2s n ASP 36 N -5.29 7.41 -3.86 0.00 8.00 -1.26 -4.92 116.55 116.62 1r2s n ASP 36 Ca 0.04 -3.82 -0.18 0.00 0.71 0.00 0.00 54.79 51.54 1r2s n ASP 36 Cb 0.25 -1.02 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 1r2s n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1r2s s THR 37 N -5.05 0.34 -0.25 -3.53 2.01 -1.05 -2.57 115.64 105.54 1r2s s THR 37 Ca 0.54 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 1r2s s THR 37 Cb 0.45 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.53 1r2s s THR 37 CO -0.33 0.17 0.11 -0.70 -0.69 0.00 0.00 174.62 173.18 1r2s s GLU 38 N 0.86 3.78 -0.16 4.92 2.12 0.72 -4.85 118.70 126.09 1r2s s GLU 38 Ca -0.10 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 1r2s s GLU 38 Cb -0.13 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1r2s s GLU 38 CO -0.01 -0.15 -0.10 0.08 -0.54 0.00 0.00 175.26 174.54 1r2s s VAL 39 N 1.55 3.11 -0.05 3.70 1.01 -1.26 -1.02 120.40 127.45 1r2s s VAL 39 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1r2s s VAL 39 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1r2s s VAL 39 CO 0.06 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 1r2s s VAL 40 N 0.78 1.06 -0.06 2.92 1.01 -0.47 -1.31 120.40 124.34 1r2s s VAL 40 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1r2s s VAL 40 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1r2s s VAL 40 CO 0.01 0.33 -0.10 0.00 0.00 0.00 0.00 175.10 175.34 1r2s s ALA 42 N -0.78 2.73 0.59 0.00 0.00 0.03 -0.54 121.76 123.78 1r2s s ALA 42 Ca 0.12 -2.72 -0.13 0.00 0.00 0.00 0.00 51.96 49.24 1r2s s ALA 42 Cb -0.11 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1r2s s ALA 42 CO 0.01 -1.89 1.01 -1.25 0.00 0.00 0.00 175.76 173.65 1r2s s PRO 43 N 0.43 3.71 0.76 0.00 0.04 -1.25 -1.66 135.00 137.03 1r2s s PRO 43 Ca 0.14 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 1r2s s PRO 43 Cb -0.23 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 1r2s s PRO 43 CO -0.05 -0.47 0.63 -2.30 0.04 0.00 0.00 177.00 174.84 1r2s n PRO 44 N -2.38 0.24 -0.15 0.56 -0.02 -1.25 -4.55 135.00 127.45 1r2s n PRO 44 Ca 0.06 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1r2s n PRO 44 Cb 0.54 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1r2s n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1r2s h THR 45 N -0.55 1.07 -0.43 3.45 2.02 -1.95 -1.23 112.91 115.29 1r2s h THR 45 Ca -0.46 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 66.65 1r2s h THR 45 Cb 1.33 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1r2s h THR 45 CO 0.42 0.10 0.58 0.00 0.37 0.00 0.00 175.52 177.00 1r2s h ALA 46 N 1.20 2.12 -0.33 6.16 0.00 -2.02 -2.94 119.26 123.44 1r2s h ALA 46 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r2s h ALA 46 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r2s h ALA 46 CO -0.07 -0.80 0.00 0.66 0.00 0.00 0.00 179.25 179.04 1r2s n TYR 47 N -3.42 0.53 -0.06 0.00 4.01 -0.47 -4.69 117.16 113.05 1r2s n TYR 47 Ca 0.08 -0.55 -0.07 0.00 -0.16 0.00 0.00 57.90 57.20 1r2s n TYR 47 Cb 0.75 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.71 1r2s n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1r2s h ILE 48 N 1.99 0.52 0.42 -0.72 2.04 -1.51 -0.01 117.51 120.23 1r2s h ILE 48 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1r2s h ILE 48 Cb 0.82 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1r2s h ILE 48 CO 0.03 0.00 -0.43 -0.78 0.00 0.00 0.00 178.15 176.97 1r2s h ASP 49 N -0.14 -1.18 -0.92 1.72 3.58 -1.83 -1.52 116.42 116.13 1r2s h ASP 49 Ca 0.15 0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.84 1r2s h ASP 49 Cb 0.37 0.40 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 1r2s h ASP 49 CO -0.36 -0.58 0.52 0.15 -2.88 0.00 0.00 179.24 176.09 1r2s h PHE 50 N -0.87 0.93 -0.31 0.28 3.57 -1.81 -2.31 116.94 116.42 1r2s h PHE 50 Ca -0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1r2s h PHE 50 Cb 0.77 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1r2s h PHE 50 CO -0.24 0.27 -0.04 0.00 -2.23 0.00 0.00 178.31 176.08 1r2s h ALA 51 N 1.56 0.42 -0.22 2.41 0.00 -0.68 -2.85 119.26 119.90 1r2s h ALA 51 Ca 0.49 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1r2s h ALA 51 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r2s h ALA 51 CO -0.33 0.21 -0.12 -0.09 0.00 0.00 0.00 179.25 178.91 1r2s h ARG 52 N 0.35 0.35 -0.08 0.00 9.65 -0.81 -1.20 114.38 122.64 1r2s h ARG 52 Ca 0.08 -0.09 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 1r2s h ARG 52 Cb 0.50 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1r2s h ARG 52 CO 0.02 0.48 -0.56 1.96 2.80 0.00 0.00 179.97 184.67 1r2s h GLN 53 N 0.33 0.25 0.00 0.20 4.20 -1.33 -3.32 115.11 115.44 1r2s h GLN 53 Ca 0.06 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1r2s h GLN 53 Cb 0.42 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1r2s h GLN 53 CO 0.02 0.74 -1.68 1.63 -0.67 0.00 0.00 178.83 178.87 1r2s n LYS 54 N -3.91 0.64 -2.91 1.46 4.76 -1.08 -4.93 118.16 112.19 1r2s n LYS 54 Ca -0.02 -0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 1r2s n LYS 54 Cb 0.59 -1.63 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 1r2s n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r2s s LEU 55 N -4.90 4.48 0.26 -0.35 1.43 -0.46 -4.92 118.68 114.23 1r2s s LEU 55 Ca -0.06 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.33 1r2s s LEU 55 Cb 0.12 -3.35 -0.14 0.00 0.03 0.00 0.00 46.19 42.85 1r2s s LEU 55 CO 0.86 0.02 1.11 -0.67 0.23 0.00 0.00 176.35 177.90 1r2s n ASP 56 N 2.64 1.58 0.31 2.29 -0.08 -1.26 -4.88 116.55 117.16 1r2s n ASP 56 Ca -0.01 1.17 0.16 0.00 -1.51 0.00 0.00 54.79 54.60 1r2s n ASP 56 Cb 0.50 -1.30 0.88 0.00 2.34 0.00 0.00 41.12 43.53 1r2s n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1r2s h PRO 57 N 2.57 0.00 0.00 -0.67 0.11 -1.96 -1.68 132.00 130.37 1r2s h PRO 57 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1r2s h PRO 57 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1r2s h PRO 57 CO 0.64 0.00 -0.03 1.57 -0.21 0.00 0.00 178.00 179.98 1r2s h LYS 58 N 0.00 0.00 -5.55 1.05 2.10 -1.99 -3.42 116.57 108.76 1r2s h LYS 58 Ca 0.00 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 1r2s h LYS 58 Cb 0.46 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.59 1r2s h LYS 58 CO 0.00 0.03 -0.66 0.42 -2.00 0.00 0.00 179.45 177.23 1r2s s ILE 59 N -4.01 3.95 0.36 0.07 1.01 -0.63 -4.67 121.20 117.27 1r2s s ILE 59 Ca -0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1r2s s ILE 59 Cb 0.12 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 1r2s s ILE 59 CO 0.49 0.53 0.70 0.00 0.00 0.00 0.00 174.94 176.67 1r2s s ALA 60 N -0.03 3.42 -0.09 9.38 0.00 -0.42 -4.86 121.76 129.15 1r2s s ALA 60 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1r2s s ALA 60 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1r2s s ALA 60 CO 0.03 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.94 1r2s s VAL 61 N -2.21 3.81 0.18 0.00 1.01 -1.26 -0.79 120.40 121.14 1r2s s VAL 61 Ca 0.50 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 62.16 1r2s s VAL 61 Cb -0.10 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1r2s s VAL 61 CO 0.28 0.58 -0.24 0.00 0.00 0.00 0.00 175.10 175.72 1r2s s ALA 62 N -0.55 2.47 0.42 5.51 0.00 0.30 -2.05 121.76 127.86 1r2s s ALA 62 Ca 0.08 -1.60 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 1r2s s ALA 62 Cb -0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1r2s s ALA 62 CO 0.02 0.43 0.75 0.00 0.00 0.00 0.00 175.76 176.96 1r2s s ALA 63 N -1.60 3.40 -1.34 0.00 0.00 -0.92 -3.86 121.76 117.44 1r2s s ALA 63 Ca 0.19 -0.35 0.26 0.00 0.00 0.00 0.00 51.96 52.06 1r2s s ALA 63 Cb -0.08 -2.61 0.76 0.00 0.00 0.00 0.00 23.12 21.18 1r2s s ALA 63 CO 0.09 -0.10 1.57 1.04 0.00 0.00 0.00 175.76 178.37 1r2s n GLN 64 N -1.59 0.37 -3.61 0.00 6.02 -1.26 -1.14 117.38 116.17 1r2s n GLN 64 Ca 0.01 -0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 56.80 1r2s n GLN 64 Cb 0.54 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 1r2s n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1r2s s ASN 65 N -2.76 -0.03 0.27 1.08 2.47 -1.24 -4.54 114.94 110.19 1r2s s ASN 65 Ca 0.18 -0.01 -0.21 0.00 0.42 0.00 0.00 52.86 53.23 1r2s s ASN 65 Cb 0.19 0.05 0.03 0.00 -1.45 0.00 0.00 41.25 40.06 1r2s s ASN 65 CO 0.59 -0.08 0.76 0.00 -3.72 0.00 0.00 177.10 174.66 1r2s n TYR 67 N -0.47 -3.00 0.02 0.00 9.36 -0.44 -4.97 117.16 117.66 1r2s n TYR 67 Ca -0.05 -0.54 0.03 0.00 3.32 0.00 0.00 57.90 60.66 1r2s n TYR 67 Cb 0.59 -0.17 0.06 0.00 -0.63 0.00 0.00 39.34 39.19 1r2s n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r2s n LYS 68 N -1.42 1.89 -4.36 2.98 2.85 -1.26 -4.62 118.16 114.23 1r2s n LYS 68 Ca 0.05 -1.48 -0.18 0.00 -1.05 0.00 0.00 58.31 55.64 1r2s n LYS 68 Cb 0.16 -1.13 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1r2s n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1r2s s VAL 69 N -0.83 1.24 -0.03 0.58 -7.23 -1.26 -4.81 120.40 108.06 1r2s s VAL 69 Ca 0.10 -2.06 0.12 0.00 -1.81 0.00 0.00 61.98 58.33 1r2s s VAL 69 Cb 0.06 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1r2s s VAL 69 CO 0.08 -0.33 1.41 0.00 -0.31 0.00 0.00 175.10 175.95 1r2s h THR 70 N 2.42 1.18 -3.22 5.32 1.03 -1.99 -3.44 112.91 114.20 1r2s h THR 70 Ca -0.39 -2.60 -0.03 0.00 -0.01 0.00 0.00 66.41 63.38 1r2s h THR 70 Cb 1.22 2.54 -0.12 0.00 -1.07 0.00 0.00 68.15 70.73 1r2s h THR 70 CO 0.65 0.66 0.06 0.20 -0.01 0.00 0.00 175.52 177.08 1r2s s ASN 71 N -6.55 -0.36 0.00 0.00 0.01 -1.26 -4.77 114.94 102.01 1r2s s ASN 71 Ca 0.03 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1r2s s ASN 71 Cb 0.09 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.30 1r2s s ASN 71 CO 0.77 -0.96 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 1r2s n GLY 72 N -0.32 -0.64 2.69 0.66 0.00 -1.26 -5.00 105.19 101.32 1r2s n GLY 72 Ca -0.14 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1r2s n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2s n ALA 73 N -0.46 5.82 -3.50 4.61 0.00 -1.26 -4.70 120.51 121.03 1r2s n ALA 73 Ca 0.00 -3.93 -0.27 0.00 0.00 0.00 0.00 53.44 49.24 1r2s n ALA 73 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 19.45 15.96 1r2s n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r2s n PHE 74 N 5.19 0.03 -1.97 0.00 3.72 -1.26 -5.11 117.46 118.06 1r2s n PHE 74 Ca 0.53 -3.54 -0.42 0.00 -0.05 0.00 0.00 57.45 53.98 1r2s n PHE 74 Cb 0.36 0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1r2s n PHE 74 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1r2s s THR 75 N -0.33 2.70 0.00 4.37 -4.23 -1.26 -1.95 115.64 114.93 1r2s s THR 75 Ca 0.31 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1r2s s THR 75 Cb 0.03 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1r2s s THR 75 CO -0.19 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1r2s n GLY 76 N 3.49 0.72 3.95 3.99 0.00 -1.26 -5.08 105.19 111.01 1r2s n GLY 76 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1r2s n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2s s GLU 77 N -0.57 2.54 0.04 1.61 0.41 -0.82 -5.14 118.70 116.78 1r2s s GLU 77 Ca 0.00 -1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 53.02 1r2s s GLU 77 Cb 0.00 -2.51 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 1r2s s GLU 77 CO 0.00 -0.40 -0.03 0.96 -0.49 0.00 0.00 175.26 175.31 1r2s s ILE 78 N -2.51 0.18 0.28 -1.63 -4.36 -1.26 -5.03 121.20 106.87 1r2s s ILE 78 Ca 0.51 -1.51 0.09 0.00 -0.26 0.00 0.00 60.65 59.47 1r2s s ILE 78 Cb -0.06 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 1r2s s ILE 78 CO 0.31 -0.84 0.07 -0.94 0.24 0.00 0.00 174.94 173.78 1r2s s SER 79 N -2.45 4.81 0.28 4.36 1.04 -1.26 -1.33 113.70 119.15 1r2s s SER 79 Ca -0.00 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1r2s s SER 79 Cb 0.02 -0.95 0.54 0.00 0.10 0.00 0.00 66.02 65.73 1r2s s SER 79 CO -0.07 -0.07 1.84 -0.65 0.98 0.00 0.00 173.24 175.27 1r2s h PRO 80 N 1.72 0.98 -0.09 4.02 0.11 -1.84 0.48 132.00 137.38 1r2s h PRO 80 Ca -0.45 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1r2s h PRO 80 Cb 1.25 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1r2s h PRO 80 CO 0.61 0.65 0.07 0.78 -0.21 0.00 0.00 178.00 179.90 1r2s h GLY 81 N 1.01 0.00 1.70 -0.55 0.00 -1.92 -0.06 103.07 103.24 1r2s h GLY 81 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.60 1r2s h GLY 81 CO -0.26 0.00 -0.97 -0.33 0.00 0.00 0.00 176.54 174.98 1r2s h MET 82 N 0.00 0.26 -0.02 4.80 2.86 -1.25 -2.41 114.93 119.17 1r2s h MET 82 Ca 0.04 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1r2s h MET 82 Cb 0.19 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1r2s h MET 82 CO -0.00 1.05 -0.01 0.82 1.06 0.00 0.00 176.91 179.83 1r2s h ILE 83 N 0.13 1.31 -0.90 -1.22 2.04 -0.81 -2.58 117.51 115.48 1r2s h ILE 83 Ca -0.07 -0.92 0.13 0.00 1.00 0.00 0.00 64.86 65.00 1r2s h ILE 83 Cb 1.63 1.90 -0.09 0.00 -0.74 0.00 0.00 36.82 39.53 1r2s h ILE 83 CO 0.16 0.24 0.52 0.11 0.00 0.00 0.00 178.15 179.17 1r2s h LYS 84 N -0.35 0.76 -0.29 2.37 1.57 -1.16 -2.14 116.57 117.34 1r2s h LYS 84 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1r2s h LYS 84 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1r2s h LYS 84 CO 0.00 0.51 0.09 0.22 -0.57 0.00 0.00 179.45 179.70 1r2s h ASP 85 N 0.79 0.37 0.00 0.86 3.58 -1.15 -1.66 116.42 119.22 1r2s h ASP 85 Ca 0.46 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1r2s h ASP 85 Cb 0.54 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1r2s h ASP 85 CO -0.30 0.37 -0.00 0.00 -2.88 0.00 0.00 179.24 176.42 1r2s n GLY 87 N 1.11 0.79 3.87 0.00 0.00 -0.62 -4.67 105.19 105.66 1r2s n GLY 87 Ca 0.21 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1r2s n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2s s ALA 88 N -2.00 3.25 0.00 4.61 0.00 -0.84 -4.75 121.76 122.02 1r2s s ALA 88 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1r2s s ALA 88 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1r2s s ALA 88 CO 0.00 -0.17 0.09 0.25 0.00 0.00 0.00 175.76 175.93 1r2s n THR 89 N -1.61 0.00 -4.45 0.00 -2.24 -0.87 -3.99 114.28 101.13 1r2s n THR 89 Ca 0.04 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 1r2s n THR 89 Cb 0.54 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 1r2s n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1r2s s TRP 90 N -0.34 2.04 -0.03 4.78 0.52 -1.16 -0.71 118.94 124.03 1r2s s TRP 90 Ca 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 55.44 1r2s s TRP 90 Cb 0.00 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 1r2s s TRP 90 CO 0.00 0.36 0.11 0.54 0.02 0.00 0.00 176.95 177.98 1r2s s VAL 91 N -2.92 0.02 -0.23 4.03 0.11 -0.19 -2.17 120.40 119.05 1r2s s VAL 91 Ca 0.30 -0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 1r2s s VAL 91 Cb 0.03 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1r2s s VAL 91 CO 0.13 -0.09 0.60 -0.69 -3.33 0.00 0.00 175.10 171.71 1r2s s VAL 92 N -0.27 5.02 0.05 2.04 1.01 -0.29 -1.30 120.40 126.66 1r2s s VAL 92 Ca -0.03 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.10 1r2s s VAL 92 Cb -0.03 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1r2s s VAL 92 CO 0.00 0.08 -0.20 -0.76 0.00 0.00 0.00 175.10 174.22 1r2s s LEU 93 N 2.20 2.18 -0.73 3.92 1.43 -0.40 -3.62 118.68 123.67 1r2s s LEU 93 Ca 0.26 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1r2s s LEU 93 Cb -0.16 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1r2s s LEU 93 CO 0.09 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1r2s n GLY 94 N 1.76 0.88 3.49 -3.19 0.00 -1.26 -1.87 105.19 105.00 1r2s n GLY 94 Ca -0.17 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1r2s n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r2s n HIS 95 N -2.70 -0.24 -0.23 1.61 -0.00 -1.26 -4.36 115.22 108.04 1r2s n HIS 95 Ca -0.07 0.56 0.18 0.00 0.46 0.00 0.00 57.72 58.85 1r2s n HIS 95 Cb 0.28 -2.02 0.51 0.00 -0.12 0.00 0.00 29.99 28.63 1r2s n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1r2s h SER 96 N 0.79 0.41 -0.10 0.26 4.64 -1.95 -0.89 113.55 116.71 1r2s h SER 96 Ca -0.42 0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 60.79 1r2s h SER 96 Cb 1.39 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1r2s h SER 96 CO 0.51 0.18 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.89 1r2s h GLU 97 N 0.42 0.64 -0.19 4.77 5.08 -1.97 0.18 114.58 123.51 1r2s h GLU 97 Ca 0.45 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1r2s h GLU 97 Cb 1.10 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1r2s h GLU 97 CO -0.17 0.95 -0.57 0.00 -1.00 0.00 0.00 179.01 178.22 1r2s h ARG 98 N 0.52 0.59 -0.18 2.33 2.47 -1.61 -0.60 114.38 117.91 1r2s h ARG 98 Ca 0.04 -0.39 -0.05 0.00 -1.26 0.00 0.00 59.98 58.32 1r2s h ARG 98 Cb 0.96 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1r2s h ARG 98 CO 0.09 1.00 -0.09 0.00 0.56 0.00 0.00 179.97 181.53 1r2s h ARG 99 N 0.45 0.38 0.00 0.04 3.08 -0.95 -0.44 114.38 116.94 1r2s h ARG 99 Ca 0.00 -0.17 -0.22 0.00 0.07 0.00 0.00 59.98 59.67 1r2s h ARG 99 Cb 1.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1r2s h ARG 99 CO 0.11 0.68 -1.90 0.72 -1.07 0.00 0.00 179.97 178.52 1r2s n HIS 100 N -4.59 0.00 -0.05 3.04 8.25 0.59 -2.63 115.22 119.84 1r2s n HIS 100 Ca -0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 1r2s n HIS 100 Cb 0.32 -0.63 -0.13 0.00 1.12 0.00 0.00 29.99 30.66 1r2s n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r2s h VAL 101 N 0.00 1.67 -0.02 1.59 2.07 -1.24 -3.39 116.25 116.93 1r2s h VAL 101 Ca -0.33 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1r2s h VAL 101 Cb 1.71 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 34.75 1r2s h VAL 101 CO 0.02 0.62 -0.08 0.49 0.02 0.00 0.00 177.57 178.64 1r2s n PHE 102 N -4.48 0.00 -3.49 1.57 3.72 -1.11 -5.00 117.46 108.68 1r2s n PHE 102 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 1r2s n PHE 102 Cb 0.57 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.19 1r2s n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r2s n GLY 103 N 0.99 -0.42 3.71 1.37 0.00 -0.54 -4.95 105.19 105.34 1r2s n GLY 103 Ca 0.09 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1r2s n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2s s GLU 104 N -5.98 4.34 0.62 1.61 2.02 -0.29 -4.99 118.70 116.04 1r2s s GLU 104 Ca 0.40 1.95 -0.10 0.00 0.02 0.00 0.00 54.97 57.24 1r2s s GLU 104 Cb -0.18 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1r2s s GLU 104 CO 0.69 -0.43 1.01 -1.54 0.02 0.00 0.00 175.26 175.01 1r2s s SER 105 N 1.32 6.01 0.16 -0.19 1.04 -1.26 -4.55 113.70 116.22 1r2s s SER 105 Ca 0.63 1.25 -0.16 0.00 0.48 0.00 0.00 55.95 58.15 1r2s s SER 105 Cb -0.33 -2.27 0.08 0.00 0.10 0.00 0.00 66.02 63.61 1r2s s SER 105 CO 0.29 -0.96 1.74 0.44 0.98 0.00 0.00 173.24 175.73 1r2s h ASP 106 N -0.32 0.09 -0.34 7.02 3.32 -1.99 0.56 116.42 124.76 1r2s h ASP 106 Ca -0.45 0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1r2s h ASP 106 Cb 1.21 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.74 1r2s h ASP 106 CO 0.62 0.09 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.03 1r2s h GLU 107 N 0.25 -0.04 -0.61 3.56 4.81 -1.98 -1.28 114.58 119.29 1r2s h GLU 107 Ca 0.18 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1r2s h GLU 107 Cb 0.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1r2s h GLU 107 CO -0.20 -0.03 0.28 1.25 -0.73 0.00 0.00 179.01 179.58 1r2s h LEU 108 N -0.04 0.82 -0.72 1.64 5.85 -1.82 -2.21 115.31 118.83 1r2s h LEU 108 Ca 0.17 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1r2s h LEU 108 Cb 0.30 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1r2s h LEU 108 CO -0.37 0.74 0.46 0.40 -0.34 0.00 0.00 178.44 179.33 1r2s h ILE 109 N 0.85 1.19 -0.59 4.05 2.04 -0.45 -1.63 117.51 122.97 1r2s h ILE 109 Ca 0.21 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1r2s h ILE 109 Cb 0.15 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1r2s h ILE 109 CO -0.02 0.19 0.36 1.23 0.00 0.00 0.00 178.15 179.90 1r2s h GLY 110 N 0.97 0.85 1.31 5.37 0.00 -1.08 -0.68 103.07 109.81 1r2s h GLY 110 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1r2s h GLY 110 CO -0.05 0.21 0.10 1.46 0.00 0.00 0.00 176.54 178.26 1r2s h GLN 111 N 0.70 0.86 -0.37 4.80 4.20 -1.08 -1.61 115.11 122.60 1r2s h GLN 111 Ca 0.24 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1r2s h GLN 111 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1r2s h GLN 111 CO -0.11 0.79 -0.23 0.87 -0.67 0.00 0.00 178.83 179.48 1r2s h LYS 112 N 0.82 0.72 -0.40 1.46 1.57 -0.92 -2.24 116.57 117.57 1r2s h LYS 112 Ca 0.17 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1r2s h LYS 112 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1r2s h LYS 112 CO 0.00 0.89 0.21 0.28 -0.57 0.00 0.00 179.45 180.26 1r2s h VAL 113 N 0.63 1.16 -0.39 0.50 2.07 -0.65 -1.36 116.25 118.22 1r2s h VAL 113 Ca 0.09 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1r2s h VAL 113 Cb 0.72 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1r2s h VAL 113 CO 0.06 0.17 -0.15 0.00 0.02 0.00 0.00 177.57 177.67 1r2s h ALA 114 N 1.06 0.54 -0.25 1.67 0.00 -1.21 -2.45 119.26 118.63 1r2s h ALA 114 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1r2s h ALA 114 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1r2s h ALA 114 CO -0.02 0.45 0.05 1.25 0.00 0.00 0.00 179.25 180.98 1r2s h HIS 115 N 0.58 0.42 -1.01 0.00 6.17 -1.31 -1.56 115.15 118.44 1r2s h HIS 115 Ca 0.09 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.15 1r2s h HIS 115 Cb 0.69 -0.12 -0.06 0.00 2.52 0.00 0.00 27.41 30.44 1r2s h HIS 115 CO 0.05 0.50 0.66 0.00 0.71 0.00 0.00 177.93 179.86 1r2s h ALA 116 N 0.87 1.33 -0.13 5.26 0.00 -1.21 -2.31 119.26 123.06 1r2s h ALA 116 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1r2s h ALA 116 Cb 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r2s h ALA 116 CO 0.00 0.58 -0.31 -0.07 0.00 0.00 0.00 179.25 179.45 1r2s h LEU 117 N 1.29 0.50 -2.56 0.00 3.38 -1.39 -2.15 115.31 114.39 1r2s h LEU 117 Ca 0.40 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1r2s h LEU 117 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1r2s h LEU 117 CO -0.12 0.98 0.10 0.77 0.09 0.00 0.00 178.44 180.26 1r2s h SER 118 N 0.05 0.00 -0.01 -0.43 4.64 -1.01 -1.03 113.55 115.76 1r2s h SER 118 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r2s h SER 118 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1r2s h SER 118 CO 0.07 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.36 1r2s n GLU 119 N -3.37 1.93 -0.06 4.77 -0.58 -0.89 -4.93 120.64 117.50 1r2s n GLU 119 Ca -0.02 -1.43 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1r2s n GLU 119 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1r2s n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r2s n GLY 120 N 1.29 0.86 3.86 0.62 0.00 -0.39 -4.95 105.19 106.49 1r2s n GLY 120 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1r2s n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r2s s LEU 121 N 0.00 3.86 0.39 0.99 1.43 -0.84 -5.03 118.68 119.48 1r2s s LEU 121 Ca 0.00 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 1r2s s LEU 121 Cb 0.00 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.05 1r2s s LEU 121 CO 0.00 -0.38 0.80 -0.83 0.23 0.00 0.00 176.35 176.17 1r2s s GLY 122 N -2.94 2.15 -0.11 -3.19 0.00 0.11 -4.38 107.32 98.96 1r2s s GLY 122 Ca 0.53 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1r2s s GLY 122 CO 0.28 0.20 -0.18 0.14 0.00 0.00 0.00 173.10 173.55 1r2s s VAL 123 N -2.23 1.69 -0.45 1.40 1.01 -0.53 -1.02 120.40 120.27 1r2s s VAL 123 Ca 0.54 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1r2s s VAL 123 Cb -0.10 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1r2s s VAL 123 CO 0.24 0.48 0.51 -0.63 0.00 0.00 0.00 175.10 175.70 1r2s s ILE 124 N 0.81 5.01 -0.26 2.22 1.01 -0.42 -1.29 121.20 128.28 1r2s s ILE 124 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1r2s s ILE 124 Cb -0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1r2s s ILE 124 CO 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 174.94 174.50 1r2s s ALA 125 N 2.31 3.25 -0.07 9.38 0.00 0.75 -1.28 121.76 136.10 1r2s s ALA 125 Ca 0.14 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1r2s s ALA 125 Cb -0.18 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1r2s s ALA 125 CO 0.13 -0.55 0.34 0.00 0.00 0.00 0.00 175.76 175.68 1r2s s ILE 127 N -0.50 0.59 0.00 0.00 -4.36 -0.53 -4.59 121.20 111.81 1r2s s ILE 127 Ca 0.21 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1r2s s ILE 127 Cb -0.15 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1r2s s ILE 127 CO 0.09 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.33 1r2s n GLY 128 N -0.18 3.08 3.67 6.27 0.00 -1.26 -0.15 105.19 116.61 1r2s n GLY 128 Ca -0.07 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1r2s n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r2s s GLU 129 N -2.16 2.61 0.75 1.61 1.03 -1.25 -4.83 118.70 116.46 1r2s s GLU 129 Ca 0.00 -0.75 -0.03 0.00 0.03 0.00 0.00 54.97 54.22 1r2s s GLU 129 Cb 0.00 -2.57 0.13 0.00 -0.80 0.00 0.00 34.13 30.90 1r2s s GLU 129 CO 0.00 0.58 1.04 -1.59 -1.33 0.00 0.00 175.26 173.95 1r2s s LYS 130 N -1.91 1.56 0.05 -4.83 -2.85 -1.26 -2.29 119.74 108.21 1r2s s LYS 130 Ca 0.22 -0.97 -0.20 0.00 -1.00 0.00 0.00 55.97 54.03 1r2s s LYS 130 Cb -0.12 -2.26 -0.13 0.00 -2.06 0.00 0.00 37.83 33.27 1r2s s LYS 130 CO 0.14 -1.57 1.36 1.25 0.10 0.00 0.00 175.35 176.63 1r2s h LEU 131 N -0.68 0.43 -0.97 2.77 5.85 -1.84 -1.29 115.31 119.57 1r2s h LEU 131 Ca -0.38 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.02 1r2s h LEU 131 Cb 1.26 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1r2s h LEU 131 CO 0.41 0.81 0.58 -2.24 -0.34 0.00 0.00 178.44 177.67 1r2s h ASP 132 N 0.05 0.79 -0.06 1.25 3.04 -1.96 0.98 116.42 120.50 1r2s h ASP 132 Ca 0.03 0.08 -0.19 0.00 -3.24 0.00 0.00 57.03 53.71 1r2s h ASP 132 Cb 0.69 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1r2s h ASP 132 CO 0.04 0.34 -0.64 -0.33 -2.04 0.00 0.00 179.24 176.61 1r2s h GLU 133 N 0.82 0.68 -0.29 4.15 5.08 -1.84 -2.97 114.58 120.20 1r2s h GLU 133 Ca 0.53 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1r2s h GLU 133 Cb 0.71 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1r2s h GLU 133 CO -0.34 1.10 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.59 1r2s h ARG 134 N 0.50 0.58 0.00 2.33 2.43 -0.27 -2.47 114.38 117.48 1r2s h ARG 134 Ca -0.01 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1r2s h ARG 134 Cb 1.23 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1r2s h ARG 134 CO 0.13 0.78 -0.04 0.93 -1.51 0.00 0.00 179.97 180.26 1r2s h GLU 135 N 0.34 0.00 -0.00 0.20 5.08 -0.85 -0.00 114.58 119.35 1r2s h GLU 135 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1r2s h GLU 135 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r2s h GLU 135 CO 0.03 0.04 -0.15 0.00 -1.00 0.00 0.00 179.01 177.93 1r2s n ALA 136 N -2.21 2.79 -1.20 3.43 0.00 -1.13 -4.92 120.51 117.28 1r2s n ALA 136 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1r2s n ALA 136 Cb 0.15 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 1r2s n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r2s n GLY 137 N 1.36 0.39 1.46 0.00 0.00 -0.02 -4.99 105.19 103.40 1r2s n GLY 137 Ca 0.11 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1r2s n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r2s n ILE 138 N -3.19 2.63 -0.05 -0.61 -5.35 -0.94 -4.76 119.36 107.09 1r2s n ILE 138 Ca -0.00 -3.24 -0.08 0.00 -0.27 0.00 0.00 62.75 59.16 1r2s n ILE 138 Cb 0.10 -0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 37.37 1r2s n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1r2s h THR 139 N 1.32 0.59 -0.06 7.28 2.02 -1.87 -2.70 112.91 119.49 1r2s h THR 139 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1r2s h THR 139 Cb 1.46 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1r2s h THR 139 CO 0.57 0.00 0.03 -0.08 0.37 0.00 0.00 175.52 176.42 1r2s h GLU 140 N -0.12 0.07 -0.85 6.66 4.81 -1.96 -1.89 114.58 121.30 1r2s h GLU 140 Ca 0.13 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1r2s h GLU 140 Cb 0.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1r2s h GLU 140 CO -0.31 0.05 0.56 0.87 -0.73 0.00 0.00 179.01 179.44 1r2s h LYS 141 N 0.07 1.09 -0.12 1.92 1.57 -1.89 -2.18 116.57 117.02 1r2s h LYS 141 Ca 0.03 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1r2s h LYS 141 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1r2s h LYS 141 CO -0.02 0.72 -0.43 0.28 -0.57 0.00 0.00 179.45 179.43 1r2s h VAL 142 N 1.12 1.36 -0.02 0.50 2.07 -1.10 -1.74 116.25 118.45 1r2s h VAL 142 Ca 0.32 -1.74 -0.18 0.00 0.82 0.00 0.00 66.70 65.92 1r2s h VAL 142 Cb -0.09 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1r2s h VAL 142 CO -0.08 0.52 -0.80 -0.37 0.02 0.00 0.00 177.57 176.87 1r2s h VAL 143 N 0.11 1.45 0.03 2.57 -1.51 -1.32 -1.61 116.25 115.98 1r2s h VAL 143 Ca -0.02 -2.41 -0.00 0.00 -1.23 0.00 0.00 66.70 63.04 1r2s h VAL 143 Cb 1.06 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1r2s h VAL 143 CO 0.09 0.71 -0.01 -0.26 -1.23 0.00 0.00 177.57 176.86 1r2s h PHE 144 N 0.15 -0.04 -0.99 5.19 0.04 -1.44 0.41 116.94 120.26 1r2s h PHE 144 Ca -0.04 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1r2s h PHE 144 Cb 1.39 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.50 1r2s h PHE 144 CO 0.03 0.11 0.65 1.49 -0.60 0.00 0.00 178.31 179.99 1r2s h GLU 145 N -0.18 1.23 -0.30 1.51 4.81 -1.25 0.72 114.58 121.12 1r2s h GLU 145 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1r2s h GLU 145 Cb 0.17 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1r2s h GLU 145 CO 0.01 0.81 -0.36 1.96 -0.73 0.00 0.00 179.01 180.70 1r2s h GLN 146 N 1.26 0.77 0.00 1.92 4.20 -1.10 -3.03 115.11 119.13 1r2s h GLN 146 Ca 0.39 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1r2s h GLN 146 Cb -0.02 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1r2s h GLN 146 CO -0.12 1.06 -0.33 1.79 -0.67 0.00 0.00 178.83 180.56 1r2s h THR 147 N 0.53 0.98 0.07 -0.54 1.35 0.53 -3.03 112.91 112.80 1r2s h THR 147 Ca 0.04 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1r2s h THR 147 Cb 0.94 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1r2s h THR 147 CO 0.09 0.32 -0.07 0.50 -0.25 0.00 0.00 175.52 176.10 1r2s h LYS 148 N 0.00 -0.15 -0.61 4.72 3.64 -0.76 0.19 116.57 123.61 1r2s h LYS 148 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1r2s h LYS 148 Cb 0.69 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1r2s h LYS 148 CO 0.04 -0.10 0.31 0.28 -2.27 0.00 0.00 179.45 177.71 1r2s h VAL 149 N -0.16 1.19 0.05 2.00 2.07 -1.47 0.13 116.25 120.06 1r2s h VAL 149 Ca 0.01 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1r2s h VAL 149 Cb 0.16 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1r2s h VAL 149 CO -0.03 0.22 -0.02 0.40 0.02 0.00 0.00 177.57 178.16 1r2s h ILE 150 N 0.85 1.22 -0.90 4.57 2.04 -1.40 -3.19 117.51 120.69 1r2s h ILE 150 Ca 0.21 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.26 1r2s h ILE 150 Cb 0.06 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 1r2s h ILE 150 CO -0.03 0.23 0.54 0.00 0.00 0.00 0.00 178.15 178.88 1r2s h ALA 151 N 0.43 1.31 0.00 1.87 0.00 -0.27 -0.36 119.26 122.24 1r2s h ALA 151 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r2s h ALA 151 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r2s h ALA 151 CO 0.01 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1r2s n ASP 152 N -4.69 0.00 0.00 0.00 9.92 0.44 -1.73 116.55 120.49 1r2s n ASP 152 Ca 0.16 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1r2s n ASP 152 Cb 0.30 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1r2s n ASP 152 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1r2s n ASN 153 N -1.39 0.97 -4.76 -2.24 3.02 -0.20 -4.99 115.26 105.67 1r2s n ASN 153 Ca 0.02 -1.24 -0.36 0.00 -0.03 0.00 0.00 54.58 52.97 1r2s n ASN 153 Cb 0.05 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1r2s n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r2s s VAL 154 N -0.24 5.41 -0.25 2.41 1.01 -0.70 -4.15 120.40 123.89 1r2s s VAL 154 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1r2s s VAL 154 Cb 0.00 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 1r2s s VAL 154 CO 0.00 0.47 -0.24 1.17 0.00 0.00 0.00 175.10 176.51 1r2s n LYS 155 N 3.18 0.60 -3.80 2.72 4.81 -1.26 -4.91 118.16 119.50 1r2s n LYS 155 Ca -0.16 0.16 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1r2s n LYS 155 Cb 0.53 -1.48 -0.15 0.00 0.02 0.00 0.00 35.03 33.95 1r2s n LYS 155 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r2s s ASP 156 N -6.53 4.15 0.00 3.14 2.15 -1.26 -5.01 116.67 113.32 1r2s s ASP 156 Ca -0.33 -1.96 0.04 0.00 0.43 0.00 0.00 52.55 50.73 1r2s s ASP 156 Cb 0.09 -1.09 0.21 0.00 -0.30 0.00 0.00 42.92 41.83 1r2s s ASP 156 CO 0.55 -0.38 1.06 0.79 -0.17 0.00 0.00 175.17 177.02 1r2s n TRP 157 N 4.45 0.00 0.50 -5.34 7.02 -1.26 -3.15 117.44 119.66 1r2s n TRP 157 Ca 0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 1r2s n TRP 157 Cb 0.40 -0.40 0.46 0.00 -2.42 0.00 0.00 31.31 29.35 1r2s n TRP 157 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1r2s n SER 158 N -1.40 0.72 -0.86 -0.99 3.41 -1.26 -2.42 113.62 110.83 1r2s n SER 158 Ca 0.02 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 1r2s n SER 158 Cb 0.04 -0.80 0.24 0.00 -0.26 0.00 0.00 64.21 63.43 1r2s n SER 158 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r2s n LYS 159 N -2.24 2.97 -5.19 4.33 5.02 -1.19 -4.99 118.16 116.88 1r2s n LYS 159 Ca 0.04 -2.65 -0.32 0.00 -2.02 0.00 0.00 58.31 53.35 1r2s n LYS 159 Cb 0.32 -1.71 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 1r2s n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r2s s VAL 160 N -2.36 2.23 -0.07 -0.18 1.01 -1.02 -1.46 120.40 118.56 1r2s s VAL 160 Ca 0.38 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1r2s s VAL 160 Cb 0.29 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1r2s s VAL 160 CO 0.11 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.91 1r2s s VAL 161 N -0.12 1.54 -0.07 2.92 1.01 -0.42 -4.50 120.40 120.76 1r2s s VAL 161 Ca -0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1r2s s VAL 161 Cb -0.14 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1r2s s VAL 161 CO 0.04 0.44 0.31 -0.76 0.00 0.00 0.00 175.10 175.13 1r2s s LEU 162 N 0.43 4.40 -0.17 3.92 1.43 -0.72 -0.18 118.68 127.79 1r2s s LEU 162 Ca -0.14 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 1r2s s LEU 162 Cb -0.16 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1r2s s LEU 162 CO 0.05 0.30 -0.19 0.00 0.23 0.00 0.00 176.35 176.74 1r2s s ALA 163 N -0.70 2.21 -0.28 4.21 0.00 -0.60 -0.31 121.76 126.30 1r2s s ALA 163 Ca 0.20 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1r2s s ALA 163 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1r2s s ALA 163 CO 0.09 -0.34 0.73 -0.47 0.00 0.00 0.00 175.76 175.76 1r2s s TYR 164 N 1.31 3.25 -0.30 0.00 5.04 -0.33 -1.46 117.35 124.87 1r2s s TYR 164 Ca 0.04 0.84 -0.07 0.00 -2.44 0.00 0.00 57.07 55.44 1r2s s TYR 164 Cb -0.13 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.14 1r2s s TYR 164 CO -0.12 -0.45 0.08 -1.21 -1.34 0.00 0.00 175.55 172.51 1r2s s GLU 165 N 2.76 3.08 -1.30 4.97 2.02 0.78 -0.93 118.70 130.08 1r2s s GLU 165 Ca 0.30 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.25 1r2s s GLU 165 Cb -0.15 -3.38 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1r2s s GLU 165 CO 0.10 -0.45 1.81 -0.35 0.02 0.00 0.00 175.26 176.39 1r2s n PRO 166 N 4.87 3.01 0.09 0.39 -0.04 -1.26 -3.86 135.00 138.20 1r2s n PRO 166 Ca -0.14 -3.13 0.11 0.00 -0.04 0.00 0.00 63.50 60.30 1r2s n PRO 166 Cb 0.48 -3.49 0.59 0.00 -0.04 0.00 0.00 33.50 31.04 1r2s n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r2s h VAL 167 N 5.45 0.93 0.00 0.52 2.07 -1.85 -0.19 116.25 123.18 1r2s h VAL 167 Ca 0.44 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.91 1r2s h VAL 167 Cb 0.85 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1r2s h VAL 167 CO 1.49 0.03 0.00 4.11 0.02 0.00 0.00 177.57 183.22 1r2s h TRP 168 N 0.17 0.00 -0.25 1.57 5.08 -1.70 -2.30 115.95 118.52 1r2s h TRP 168 Ca 0.14 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.92 1r2s h TRP 168 Cb 0.35 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 26.33 1r2s h TRP 168 CO -0.00 0.00 -0.66 0.00 -1.28 0.00 0.00 178.44 176.50 1r2s n ALA 169 N -1.82 3.94 -4.08 0.11 0.00 -0.09 -4.72 120.51 113.85 1r2s n ALA 169 Ca -0.01 -3.36 -0.32 0.00 0.00 0.00 0.00 53.44 49.75 1r2s n ALA 169 Cb 0.08 -0.39 -0.16 0.00 0.00 0.00 0.00 19.45 18.98 1r2s n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r2s s ILE 170 N -3.43 2.06 -1.45 0.00 1.01 -0.86 -4.73 121.20 113.80 1r2s s ILE 170 Ca 0.41 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 1r2s s ILE 170 Cb 0.38 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1r2s s ILE 170 CO -0.04 0.23 1.08 0.61 0.00 0.00 0.00 174.94 176.81 1r2s n GLY 171 N 4.54 -0.52 0.01 6.18 0.00 -1.26 -4.87 105.19 109.27 1r2s n GLY 171 Ca -0.17 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1r2s n GLY 171 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r2s n THR 172 N -4.83 0.06 -2.73 2.61 -1.04 -1.26 -5.00 114.28 102.10 1r2s n THR 172 Ca 0.02 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 61.85 1r2s n THR 172 Cb 0.55 0.12 0.02 0.00 -1.82 0.00 0.00 70.33 69.19 1r2s n THR 172 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r2s n GLY 173 N 2.35 0.52 2.60 3.41 0.00 -1.26 -5.06 105.19 107.75 1r2s n GLY 173 Ca -0.02 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1r2s n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r2s s LYS 174 N -5.21 0.45 0.36 1.61 1.02 -1.26 -5.14 119.74 111.57 1r2s s LYS 174 Ca 0.13 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.04 1r2s s LYS 174 Cb -0.06 -1.02 -0.10 0.00 -0.52 0.00 0.00 37.83 36.13 1r2s s LYS 174 CO 0.19 -1.14 0.93 0.95 -0.92 0.00 0.00 175.35 175.37 1r2s s THR 175 N 1.60 4.30 0.15 2.17 -4.23 -1.26 -4.35 115.64 114.00 1r2s s THR 175 Ca 0.14 1.67 -0.20 0.00 -1.18 0.00 0.00 61.69 62.12 1r2s s THR 175 Cb -0.18 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.73 1r2s s THR 175 CO -0.14 -0.03 0.66 0.00 -0.54 0.00 0.00 174.62 174.58 1r2s s ALA 176 N -1.82 3.50 0.43 3.99 0.00 -1.26 -5.06 121.76 121.54 1r2s s ALA 176 Ca 0.54 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1r2s s ALA 176 Cb -0.15 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 1r2s s ALA 176 CO 0.20 0.36 0.80 0.95 0.00 0.00 0.00 175.76 178.06 1r2s s THR 177 N -1.27 4.77 0.28 0.00 -4.23 -1.26 -4.95 115.64 108.98 1r2s s THR 177 Ca 0.35 0.66 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 1r2s s THR 177 Cb -0.19 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.18 1r2s s THR 177 CO 0.21 -0.58 1.70 -0.65 -0.54 0.00 0.00 174.62 174.76 1r2s h PRO 178 N 1.10 0.39 -0.23 3.99 0.11 -1.98 -1.48 132.00 133.89 1r2s h PRO 178 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1r2s h PRO 178 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1r2s h PRO 178 CO 0.63 0.26 -0.07 1.96 -0.21 0.00 0.00 178.00 180.57 1r2s h GLN 179 N 0.40 0.36 -0.47 1.05 1.08 -1.96 -0.78 115.11 114.79 1r2s h GLN 179 Ca 0.53 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.58 1r2s h GLN 179 Cb 0.96 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.33 1r2s h GLN 179 CO -0.51 0.45 0.02 1.96 -0.95 0.00 0.00 178.83 179.80 1r2s h GLN 180 N 0.35 0.82 0.17 1.46 4.20 -1.67 -0.96 115.11 119.47 1r2s h GLN 180 Ca 0.07 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1r2s h GLN 180 Cb 0.36 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1r2s h GLN 180 CO 0.02 0.86 -0.32 0.00 -0.67 0.00 0.00 178.83 178.71 1r2s h ALA 181 N 0.93 -0.58 -0.63 3.87 0.00 -1.17 -2.93 119.26 118.74 1r2s h ALA 181 Ca 0.14 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1r2s h ALA 181 Cb 0.48 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1r2s h ALA 181 CO 0.02 -0.88 0.15 0.37 0.00 0.00 0.00 179.25 178.91 1r2s h GLN 182 N -0.57 0.27 -0.91 0.00 5.75 -0.98 -0.16 115.11 118.50 1r2s h GLN 182 Ca 0.02 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.65 1r2s h GLN 182 Cb 0.58 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.98 1r2s h GLN 182 CO -0.16 0.18 0.52 1.49 -2.65 0.00 0.00 178.83 178.21 1r2s h GLU 183 N 0.28 0.74 0.11 1.69 4.81 -1.09 -0.70 114.58 120.42 1r2s h GLU 183 Ca 0.33 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.26 1r2s h GLU 183 Cb 0.50 -0.17 0.03 0.00 0.63 0.00 0.00 28.75 29.74 1r2s h GLU 183 CO -0.41 0.49 -1.06 0.28 -0.73 0.00 0.00 179.01 177.58 1r2s h VAL 184 N 0.76 1.35 -0.85 0.32 2.07 -0.97 -3.05 116.25 115.89 1r2s h VAL 184 Ca 0.49 -2.41 0.02 0.00 0.82 0.00 0.00 66.70 65.61 1r2s h VAL 184 Cb 0.63 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1r2s h VAL 184 CO -0.33 0.72 0.56 0.45 0.02 0.00 0.00 177.57 178.99 1r2s h HIS 185 N 0.08 1.05 -0.72 1.57 3.86 -0.75 -1.76 115.15 118.48 1r2s h HIS 185 Ca -0.16 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1r2s h HIS 185 Cb 1.76 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 29.85 1r2s h HIS 185 CO 0.14 0.64 0.32 1.49 0.86 0.00 0.00 177.93 181.38 1r2s h GLU 186 N 1.12 1.05 -0.42 2.45 4.81 -1.19 -0.47 114.58 121.92 1r2s h GLU 186 Ca 0.32 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1r2s h GLU 186 Cb -0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1r2s h GLU 186 CO -0.08 0.84 -0.24 0.87 -0.73 0.00 0.00 179.01 179.66 1r2s h LYS 187 N 1.01 0.88 -0.07 1.92 1.57 -1.40 -0.84 116.57 119.64 1r2s h LYS 187 Ca 0.24 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1r2s h LYS 187 Cb 0.16 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1r2s h LYS 187 CO -0.03 1.03 0.02 -0.07 -0.57 0.00 0.00 179.45 179.83 1r2s h LEU 188 N 0.76 0.10 -1.36 2.94 3.38 -1.02 -0.46 115.31 119.65 1r2s h LEU 188 Ca 0.10 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1r2s h LEU 188 Cb 0.79 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1r2s h LEU 188 CO 0.07 0.28 0.47 -0.09 0.09 0.00 0.00 178.44 179.26 1r2s h ARG 189 N -0.09 0.80 -0.19 1.13 2.43 -1.02 0.84 114.38 118.29 1r2s h ARG 189 Ca 0.02 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1r2s h ARG 189 Cb 0.22 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1r2s h ARG 189 CO -0.00 0.53 -0.16 0.78 -1.51 0.00 0.00 179.97 179.61 1r2s h GLY 190 N 0.83 0.34 1.58 2.80 0.00 -0.83 -1.70 103.07 106.08 1r2s h GLY 190 Ca 0.29 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.22 1r2s h GLY 190 CO -0.08 0.21 -0.68 -0.25 0.00 0.00 0.00 176.54 175.74 1r2s h TRP 191 N 0.29 0.55 -0.38 5.60 7.01 0.82 -2.72 115.95 127.13 1r2s h TRP 191 Ca 0.05 -0.23 -0.10 0.00 2.11 0.00 0.00 58.89 60.73 1r2s h TRP 191 Cb 0.46 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1r2s h TRP 191 CO 0.01 0.97 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.41 1r2s h LEU 192 N 0.30 0.78 -0.64 0.65 3.38 -0.90 -1.31 115.31 117.57 1r2s h LEU 192 Ca -0.02 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.61 1r2s h LEU 192 Cb 1.24 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1r2s h LEU 192 CO 0.12 1.00 0.35 0.50 0.09 0.00 0.00 178.44 180.50 1r2s h LYS 193 N 0.56 0.63 0.00 1.13 3.64 -1.15 0.56 116.57 121.95 1r2s h LYS 193 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1r2s h LYS 193 Cb 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1r2s h LYS 193 CO 0.05 0.42 -1.17 -1.13 -2.27 0.00 0.00 179.45 175.34 1r2s n SER 194 N -4.81 0.58 -0.00 4.20 3.41 -1.04 -3.63 113.62 112.32 1r2s n SER 194 Ca 0.08 -0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1r2s n SER 194 Cb 0.17 0.99 -0.09 0.00 -0.26 0.00 0.00 64.21 65.02 1r2s n SER 194 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r2s n ASN 195 N -1.98 1.56 0.00 4.04 3.02 -0.50 -4.87 115.26 116.52 1r2s n ASN 195 Ca 0.01 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1r2s n ASN 195 Cb 0.45 1.39 0.00 0.00 -0.61 0.00 0.00 39.78 41.00 1r2s n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r2s n VAL 196 N -1.72 0.00 -3.61 2.41 0.31 0.13 -5.05 118.33 110.80 1r2s n VAL 196 Ca -0.01 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1r2s n VAL 196 Cb 0.29 -0.74 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 1r2s n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1r2s s SER 197 N -1.35 -0.08 0.11 4.52 1.04 -0.81 -5.01 113.70 112.12 1r2s s SER 197 Ca 0.00 -0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.15 1r2s s SER 197 Cb 0.00 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.17 1r2s s SER 197 CO 0.00 -0.25 1.76 0.44 0.98 0.00 0.00 173.24 176.17 1r2s h ASP 198 N 2.00 0.12 -0.97 7.02 3.32 -1.85 -2.40 116.42 123.66 1r2s h ASP 198 Ca -0.21 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1r2s h ASP 198 Cb 1.18 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 1r2s h ASP 198 CO 0.26 0.09 0.64 0.00 -1.72 0.00 0.00 179.24 178.51 1r2s h ALA 199 N 1.06 1.23 -0.19 3.45 0.00 -1.96 -1.38 119.26 121.48 1r2s h ALA 199 Ca 0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1r2s h ALA 199 Cb -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1r2s h ALA 199 CO -0.03 0.62 -0.61 0.28 0.00 0.00 0.00 179.25 179.51 1r2s h VAL 200 N 1.32 1.31 -0.48 0.00 2.07 -1.91 -2.37 116.25 116.19 1r2s h VAL 200 Ca 0.36 -1.86 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1r2s h VAL 200 Cb -0.15 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1r2s h VAL 200 CO -0.08 0.58 -0.06 0.00 0.02 0.00 0.00 177.57 178.03 1r2s h ALA 201 N 0.84 0.65 0.00 1.67 0.00 -1.04 -1.41 119.26 119.97 1r2s h ALA 201 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1r2s h ALA 201 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1r2s h ALA 201 CO 0.12 0.51 -0.44 1.96 0.00 0.00 0.00 179.25 181.40 1r2s h GLN 202 N 0.73 0.00 0.00 0.00 4.20 -1.25 -3.35 115.11 115.45 1r2s h GLN 202 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1r2s h GLN 202 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1r2s h GLN 202 CO 0.04 0.44 -1.34 -1.13 -0.67 0.00 0.00 178.83 176.17 1r2s n SER 203 N -3.75 1.23 -4.71 1.46 3.41 -0.90 -4.78 113.62 105.59 1r2s n SER 203 Ca -0.01 -0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 1r2s n SER 203 Cb 0.51 1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 1r2s n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r2s s THR 204 N -2.82 4.53 -0.16 6.66 2.01 -0.54 -4.91 115.64 120.41 1r2s s THR 204 Ca -0.02 1.81 -0.22 0.00 0.31 0.00 0.00 61.69 63.58 1r2s s THR 204 Cb 0.10 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1r2s s THR 204 CO 0.62 0.11 0.69 -0.13 -0.69 0.00 0.00 174.62 175.22 1r2s s ARG 205 N 1.26 4.28 -0.28 4.92 0.52 -1.26 -4.97 118.95 123.42 1r2s s ARG 205 Ca 0.54 0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 56.45 1r2s s ARG 205 Cb -0.24 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.68 1r2s s ARG 205 CO 0.27 -0.19 0.07 0.42 0.02 0.00 0.00 175.30 175.88 1r2s s ILE 206 N 1.73 4.03 0.12 1.52 1.01 -1.26 -1.76 121.20 126.58 1r2s s ILE 206 Ca 0.33 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1r2s s ILE 206 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1r2s s ILE 206 CO 0.12 0.18 -0.02 0.27 0.00 0.00 0.00 174.94 175.49 1r2s s ILE 207 N 1.53 3.79 -0.21 2.92 -4.36 0.58 -0.97 121.20 124.49 1r2s s ILE 207 Ca 0.04 -1.18 -0.16 0.00 -0.26 0.00 0.00 60.65 59.09 1r2s s ILE 207 Cb -0.16 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 1r2s s ILE 207 CO 0.02 0.05 0.40 -0.47 0.24 0.00 0.00 174.94 175.18 1r2s s TYR 208 N -1.41 3.35 -0.20 1.37 5.04 -0.47 -1.18 117.35 123.84 1r2s s TYR 208 Ca 0.25 0.59 0.15 0.00 -2.44 0.00 0.00 57.07 55.63 1r2s s TYR 208 Cb -0.11 -2.54 0.58 0.00 0.35 0.00 0.00 41.96 40.24 1r2s s TYR 208 CO 0.17 -0.05 1.49 0.41 -1.34 0.00 0.00 175.55 176.23 1r2s n GLY 209 N 4.03 3.96 0.00 8.97 0.00 -0.10 -1.53 105.19 120.52 1r2s n GLY 209 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1r2s n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2s n GLY 210 N -0.40 -0.97 3.64 -0.02 0.00 -1.26 -4.74 105.19 101.43 1r2s n GLY 210 Ca 0.24 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1r2s n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r2s s SER 211 N -1.00 6.74 -0.04 1.61 0.15 -1.26 -4.78 113.70 115.12 1r2s s SER 211 Ca 0.00 1.39 0.04 0.00 0.70 0.00 0.00 55.95 58.08 1r2s s SER 211 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1r2s s SER 211 CO 0.00 -0.99 -0.15 0.68 1.20 0.00 0.00 173.24 173.98 1r2s s VAL 212 N 4.14 1.30 0.43 4.45 -7.23 -1.26 -5.04 120.40 117.19 1r2s s VAL 212 Ca 0.57 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1r2s s VAL 212 Cb -0.19 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.56 1r2s s VAL 212 CO 0.21 0.38 0.03 0.42 -0.31 0.00 0.00 175.10 175.83 1r2s s THR 213 N 0.10 1.90 0.56 5.32 -4.23 -1.26 -4.70 115.64 113.32 1r2s s THR 213 Ca -0.04 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.75 1r2s s THR 213 Cb -0.11 -2.86 0.36 0.00 1.34 0.00 0.00 72.50 71.22 1r2s s THR 213 CO 0.02 0.00 2.06 1.23 -0.54 0.00 0.00 174.62 177.39 1r2s h GLY 214 N 1.66 0.00 1.68 3.99 0.00 -1.98 -2.16 103.07 106.26 1r2s h GLY 214 Ca -0.44 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.64 1r2s h GLY 214 CO 0.79 0.00 -1.15 0.00 0.00 0.00 0.00 176.54 176.18 1r2s h ALA 215 N 1.79 0.19 0.00 3.60 0.00 -1.96 -3.39 119.26 119.49 1r2s h ALA 215 Ca 0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1r2s h ALA 215 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1r2s h ALA 215 CO -0.00 0.98 -1.45 0.25 0.00 0.00 0.00 179.25 179.03 1r2s n THR 216 N -3.55 0.75 -0.18 0.00 -2.24 -1.02 -4.62 114.28 103.42 1r2s n THR 216 Ca -0.07 -0.61 0.08 0.00 -2.27 0.00 0.00 64.05 61.18 1r2s n THR 216 Cb 0.97 -0.42 0.38 0.00 -2.10 0.00 0.00 70.33 69.16 1r2s n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r2s h LYS 218 N 0.70 0.71 -0.13 0.00 1.57 -1.82 -1.17 116.57 116.43 1r2s h LYS 218 Ca 0.33 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1r2s h LYS 218 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1r2s h LYS 218 CO -0.12 0.58 -0.48 1.49 -0.57 0.00 0.00 179.45 180.35 1r2s h GLU 219 N 0.66 0.34 0.00 3.15 4.81 -1.83 -2.93 114.58 118.78 1r2s h GLU 219 Ca 0.17 -0.19 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 1r2s h GLU 219 Cb 0.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1r2s h GLU 219 CO -0.02 0.75 -0.88 -0.07 -0.73 0.00 0.00 179.01 178.05 1r2s h LEU 220 N 0.27 0.28 -0.62 1.64 3.38 -1.49 -3.16 115.31 115.61 1r2s h LEU 220 Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r2s h LEU 220 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1r2s h LEU 220 CO 0.08 1.03 0.00 0.00 0.09 0.00 0.00 178.44 179.64 1r2s h ALA 221 N 0.95 1.00 -0.06 1.53 0.00 -1.13 -2.94 119.26 118.61 1r2s h ALA 221 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r2s h ALA 221 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1r2s h ALA 221 CO 0.14 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.82 1r2s n SER 222 N -2.63 1.16 -4.75 0.00 7.64 -1.12 -4.85 113.62 109.07 1r2s n SER 222 Ca 0.03 -1.49 -0.40 0.00 1.01 0.00 0.00 58.87 58.02 1r2s n SER 222 Cb 0.35 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1r2s n SER 222 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1r2s s GLN 223 N -1.93 4.72 0.29 1.43 -1.52 -1.11 -4.96 119.66 116.57 1r2s s GLN 223 Ca 0.36 1.69 -0.02 0.00 -1.95 0.00 0.00 55.36 55.45 1r2s s GLN 223 Cb 0.19 -3.23 0.44 0.00 -0.22 0.00 0.00 33.01 30.20 1r2s s GLN 223 CO 0.30 0.32 1.93 -1.35 -0.25 0.00 0.00 175.29 176.23 1r2s h PRO 224 N 4.00 1.10 -0.64 2.91 0.11 -1.91 -3.02 132.00 134.55 1r2s h PRO 224 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1r2s h PRO 224 Cb 1.21 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1r2s h PRO 224 CO 0.68 0.73 0.00 -0.25 -0.21 0.00 0.00 178.00 178.94 1r2s n ASP 225 N -4.45 3.87 -4.62 -2.05 8.00 -1.26 -4.86 116.55 111.18 1r2s n ASP 225 Ca 0.12 -2.08 -0.38 0.00 0.71 0.00 0.00 54.79 53.17 1r2s n ASP 225 Cb 0.12 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 1r2s n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r2s s VAL 226 N -1.14 5.26 -0.88 2.53 1.01 -1.14 -4.67 120.40 121.36 1r2s s VAL 226 Ca 0.44 0.40 0.14 0.00 0.00 0.00 0.00 61.98 62.96 1r2s s VAL 226 Cb 0.24 -3.61 0.45 0.00 0.00 0.00 0.00 36.38 33.46 1r2s s VAL 226 CO 0.28 0.24 1.38 0.47 0.00 0.00 0.00 175.10 177.47 1r2s n ASP 227 N 4.88 3.52 0.00 3.32 8.00 -0.14 -4.81 116.55 131.32 1r2s n ASP 227 Ca -0.11 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1r2s n ASP 227 Cb 0.51 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1r2s n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2s n GLY 228 N 0.48 0.69 2.97 0.44 0.00 -1.26 -1.77 105.19 106.73 1r2s n GLY 228 Ca 0.17 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1r2s n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r2s s PHE 229 N -3.19 -0.07 -0.34 1.61 2.99 -0.12 -1.37 117.98 117.48 1r2s s PHE 229 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 56.93 57.00 1r2s s PHE 229 Cb 0.00 0.02 0.02 0.00 0.00 0.00 0.00 43.02 43.05 1r2s s PHE 229 CO 0.00 -0.07 0.17 -1.17 -0.00 0.00 0.00 175.22 174.15 1r2s s LEU 230 N -0.12 4.41 -0.21 -0.37 2.96 -0.58 -0.63 118.68 124.14 1r2s s LEU 230 Ca -0.02 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 1r2s s LEU 230 Cb -0.02 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1r2s s LEU 230 CO 0.00 -0.30 0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 1r2s s VAL 231 N 1.55 5.39 0.00 1.68 1.01 0.89 -4.36 120.40 126.55 1r2s s VAL 231 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1r2s s VAL 231 Cb -0.18 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1r2s s VAL 231 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1r2s n GLY 232 N 3.73 1.57 0.33 4.51 0.00 -1.26 -0.31 105.19 113.76 1r2s n GLY 232 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.06 1r2s n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r2s h GLY 233 N 0.00 1.87 2.00 -0.02 0.00 -1.94 -2.37 103.07 102.61 1r2s h GLY 233 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1r2s h GLY 233 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.17 1r2s h ALA 234 N 1.78 1.00 0.00 3.60 0.00 -1.88 -3.16 119.26 120.61 1r2s h ALA 234 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1r2s h ALA 234 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1r2s h ALA 234 CO -0.56 0.00 0.15 0.77 0.00 0.00 0.00 179.25 179.61 1r2s h SER 235 N 0.00 0.00 -0.02 0.00 0.02 -1.68 -2.53 113.55 109.34 1r2s h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r2s h SER 235 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1r2s h SER 235 CO 0.00 0.00 -0.22 0.18 -1.14 0.00 0.00 176.83 175.65 1r2s n LEU 236 N -2.86 2.20 -4.72 5.07 4.77 -1.19 -4.89 117.00 115.37 1r2s n LEU 236 Ca -0.02 -0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 54.84 1r2s n LEU 236 Cb 0.20 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1r2s n LEU 236 CO 0.16 0.40 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.89 1r2s s LYS 237 N -1.94 2.21 0.52 3.23 1.02 -0.95 -5.00 119.74 118.83 1r2s s LYS 237 Ca 0.19 -1.81 0.30 0.00 0.02 0.00 0.00 55.97 54.67 1r2s s LYS 237 Cb 0.16 -1.98 1.33 0.00 -0.52 0.00 0.00 37.83 36.81 1r2s s LYS 237 CO 0.38 -0.06 1.98 -1.35 -0.92 0.00 0.00 175.35 175.38 1r2s h PRO 238 N 1.50 0.00 -1.52 -1.68 0.11 -1.92 -2.77 132.00 125.71 1r2s h PRO 238 Ca -0.43 0.00 0.45 0.00 0.11 0.00 0.00 66.00 66.13 1r2s h PRO 238 Cb 1.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1r2s h PRO 238 CO 0.69 0.11 1.08 0.39 -0.21 0.00 0.00 178.00 180.06 1r2s n GLU 239 N -3.32 -0.00 -0.34 1.05 1.02 -1.26 -0.72 120.64 117.07 1r2s n GLU 239 Ca -0.00 0.90 -0.02 0.00 -0.02 0.00 0.00 57.16 58.01 1r2s n GLU 239 Cb 0.31 -2.01 0.11 0.00 -0.02 0.00 0.00 31.44 29.82 1r2s n GLU 239 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1r2s h PHE 240 N 0.00 1.12 -0.81 -0.32 3.57 -1.58 -2.68 116.94 116.24 1r2s h PHE 240 Ca 0.75 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.28 1r2s h PHE 240 Cb 2.93 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 41.25 1r2s h PHE 240 CO -0.00 0.68 0.52 0.28 -2.23 0.00 0.00 178.31 177.56 1r2s h VAL 241 N 1.19 1.21 -0.62 1.41 2.07 -1.17 -1.43 116.25 118.91 1r2s h VAL 241 Ca 0.35 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1r2s h VAL 241 Cb -0.07 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 1r2s h VAL 241 CO -0.10 0.21 0.35 0.44 0.02 0.00 0.00 177.57 178.50 1r2s h ASP 242 N 1.10 0.77 -0.77 0.57 3.32 -1.60 -2.93 116.42 116.87 1r2s h ASP 242 Ca 0.29 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1r2s h ASP 242 Cb -0.10 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1r2s h ASP 242 CO -0.06 0.62 0.33 0.40 -1.72 0.00 0.00 179.24 178.82 1r2s h ILE 243 N 0.85 1.25 -0.53 0.35 2.04 -1.06 -0.89 117.51 119.52 1r2s h ILE 243 Ca 0.22 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1r2s h ILE 243 Cb 0.02 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1r2s h ILE 243 CO -0.04 0.32 0.36 0.40 0.00 0.00 0.00 178.15 179.19 1r2s h ILE 244 N 1.12 0.91 -0.57 -0.67 2.04 -1.12 -1.59 117.51 117.64 1r2s h ILE 244 Ca 0.26 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 1r2s h ILE 244 Cb 0.18 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1r2s h ILE 244 CO -0.03 0.06 0.10 0.59 0.00 0.00 0.00 178.15 178.88 1r2s n ASN 245 N -4.47 4.90 0.09 1.72 3.02 -0.37 -4.65 115.26 115.51 1r2s n ASN 245 Ca 0.08 -2.92 0.04 0.00 -0.03 0.00 0.00 54.58 51.75 1r2s n ASN 245 Cb 0.34 -0.69 0.44 0.00 -0.61 0.00 0.00 39.78 39.26 1r2s n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r2s h ALA 246 N 3.31 1.65 -0.17 5.41 0.00 -0.98 -1.77 119.26 126.73 1r2s h ALA 246 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r2s h ALA 246 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1r2s h ALA 246 CO 0.53 0.27 0.00 1.17 0.00 0.00 0.00 179.25 181.21 1r2s n LYS 247 N -4.40 2.13 0.00 0.00 4.81 -1.26 -4.62 118.16 114.83 1r2s n LYS 247 Ca 0.00 -1.68 0.12 0.00 -0.87 0.00 0.00 58.31 55.89 1r2s n LYS 247 Cb 0.16 -1.47 0.73 0.00 0.02 0.00 0.00 35.03 34.47 1r2s n LYS 247 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61