#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smy n LEU 2 N 0.00 0.99 0.00 4.03 4.77 -1.26 -4.62 117.00 120.91 1smy n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1smy n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1smy n LEU 2 CO 0.00 0.16 0.00 -0.67 -1.33 0.00 0.00 177.39 175.55 1smy n ASP 3 N -1.75 0.00 -0.18 -1.43 2.03 -1.26 -4.50 116.55 109.46 1smy n ASP 3 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1smy n ASP 3 Cb 0.21 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.67 1smy n ASP 3 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1smy h SER 4 N 0.00 -0.42 0.13 1.67 0.02 -1.99 0.03 113.55 113.00 1smy h SER 4 Ca 0.00 0.16 -0.26 0.00 -0.84 0.00 0.00 61.79 60.84 1smy h SER 4 Cb 0.00 0.31 0.02 0.00 0.14 0.00 0.00 62.40 62.87 1smy h SER 4 CO 0.00 -0.15 -1.06 0.50 -1.14 0.00 0.00 176.83 174.97 1smy h LYS 5 N 0.04 0.60 0.00 3.45 1.63 -1.97 -3.04 116.57 117.29 1smy h LYS 5 Ca 0.28 -0.68 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 1smy h LYS 5 Cb 0.43 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1smy h LYS 5 CO -0.54 1.28 -0.06 1.25 -3.45 0.00 0.00 179.45 177.93 1smy h LEU 6 N 0.32 0.00 -1.53 5.20 5.85 -1.70 -0.84 115.31 122.61 1smy h LEU 6 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1smy h LEU 6 Cb 1.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1smy h LEU 6 CO 0.20 0.06 0.00 1.17 -0.34 0.00 0.00 178.44 179.53 1smy n LYS 7 N -3.32 0.94 -2.03 1.25 3.00 -0.03 -4.88 118.16 113.08 1smy n LYS 7 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.94 1smy n LYS 7 Cb 0.23 -1.23 0.03 0.00 0.00 0.00 0.00 35.03 34.05 1smy n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1smy s ALA 8 N -0.43 2.56 -0.03 3.14 0.00 -0.32 -4.66 121.76 122.01 1smy s ALA 8 Ca 0.00 0.91 -0.39 0.00 0.00 0.00 0.00 51.96 52.48 1smy s ALA 8 Cb 0.00 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.53 1smy s ALA 8 CO 0.00 -1.09 1.36 -2.30 0.00 0.00 0.00 175.76 173.73 1smy n PRO 9 N -1.63 0.81 -2.44 0.00 -0.02 -1.26 -4.79 135.00 125.67 1smy n PRO 9 Ca 0.13 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 9 Cb 0.50 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1smy n PRO 9 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1smy n VAL 10 N 2.73 4.42 -1.55 -1.45 0.31 -0.98 -4.89 118.33 116.91 1smy n VAL 10 Ca 0.21 -4.55 -0.21 0.00 -0.01 0.00 0.00 64.34 59.78 1smy n VAL 10 Cb 0.14 -2.34 -0.08 0.00 -0.91 0.00 0.00 33.84 30.65 1smy n VAL 10 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1smy n PHE 11 N 3.79 1.11 -3.57 3.52 7.35 -1.26 -4.51 117.46 123.89 1smy n PHE 11 Ca 0.38 0.03 -0.23 0.00 -0.76 0.00 0.00 57.45 56.87 1smy n PHE 11 Cb 0.36 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.75 1smy n PHE 11 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1smy s THR 12 N 12.72 5.16 0.03 -2.13 -4.23 -1.01 -5.00 115.64 121.17 1smy s THR 12 Ca 0.99 -0.60 -0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1smy s THR 12 Cb -0.25 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.72 1smy s THR 12 CO 0.18 -0.46 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.09 1smy s VAL 13 N -2.18 0.13 -0.25 2.29 1.01 -1.26 -3.04 120.40 117.09 1smy s VAL 13 Ca 0.38 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1smy s VAL 13 Cb -0.10 -0.55 0.12 0.00 0.00 0.00 0.00 36.38 35.86 1smy s VAL 13 CO 0.33 -0.61 0.30 -0.13 0.00 0.00 0.00 175.10 174.99 1smy s ARG 14 N -2.02 0.29 -0.04 2.72 0.52 -1.24 -5.07 118.95 114.13 1smy s ARG 14 Ca -0.11 0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1smy s ARG 14 Cb -0.06 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.66 1smy s ARG 14 CO -0.03 -0.83 -0.03 -0.08 0.02 0.00 0.00 175.30 174.35 1smy s THR 15 N 2.40 0.42 -0.08 0.02 -1.32 -1.26 -1.81 115.64 114.01 1smy s THR 15 Ca 0.09 -0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1smy s THR 15 Cb -0.15 -0.46 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1smy s THR 15 CO -0.23 0.19 -0.04 -1.58 -2.21 0.00 0.00 174.62 170.75 1smy s GLN 16 N 0.83 2.88 2.40 7.08 -0.44 -1.23 -5.02 119.66 126.16 1smy s GLN 16 Ca -0.10 -0.50 0.00 0.00 -2.50 0.00 0.00 55.36 52.26 1smy s GLN 16 Cb -0.13 -2.68 0.00 0.00 -1.64 0.00 0.00 33.01 28.56 1smy s GLN 16 CO -0.00 0.65 0.00 0.41 0.50 0.00 0.00 175.29 176.85 1smy n GLY 17 N 2.28 0.88 0.47 2.59 0.00 -1.26 -3.82 105.19 106.33 1smy n GLY 17 Ca -0.18 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.14 1smy n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy n ARG 18 N 0.00 1.07 0.00 1.61 1.74 -1.26 -4.78 116.66 115.05 1smy n ARG 18 Ca 0.00 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1smy n ARG 18 Cb 0.00 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1smy n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1smy n GLU 19 N 0.57 0.00 -2.85 5.56 4.71 -1.25 -3.74 120.64 123.63 1smy n GLU 19 Ca 0.07 0.12 -0.36 0.00 -0.01 0.00 0.00 57.16 56.98 1smy n GLU 19 Cb 0.30 -0.49 -0.06 0.00 -1.01 0.00 0.00 31.44 30.18 1smy n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1smy s TYR 20 N -0.60 3.64 -0.29 -0.32 6.04 -1.25 -1.07 117.35 123.50 1smy s TYR 20 Ca 0.00 1.68 -0.02 0.00 0.04 0.00 0.00 57.07 58.77 1smy s TYR 20 Cb 0.00 -2.85 0.18 0.00 -1.04 0.00 0.00 41.96 38.25 1smy s TYR 20 CO 0.00 0.20 0.57 0.20 -1.54 0.00 0.00 175.55 174.98 1smy s GLY 21 N -1.69 -0.88 0.33 8.97 0.00 0.58 -3.53 107.32 111.10 1smy s GLY 21 Ca 0.50 1.76 -0.09 0.00 0.00 0.00 0.00 44.72 46.89 1smy s GLY 21 CO 0.22 3.24 0.66 -0.54 0.00 0.00 0.00 173.10 176.67 1smy s GLU 22 N 2.82 3.75 -0.12 2.90 2.02 -0.75 -0.75 118.70 128.56 1smy s GLU 22 Ca 0.17 0.29 -0.05 0.00 0.02 0.00 0.00 54.97 55.40 1smy s GLU 22 Cb -0.15 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.62 1smy s GLU 22 CO -0.20 0.12 0.24 -0.06 0.02 0.00 0.00 175.26 175.39 1smy s PHE 23 N -2.15 -0.38 0.11 1.61 0.08 -0.27 -3.62 117.98 113.36 1smy s PHE 23 Ca 0.48 0.90 0.08 0.00 0.12 0.00 0.00 56.93 58.52 1smy s PHE 23 Cb -0.11 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 1smy s PHE 23 CO 0.28 -0.34 -0.16 0.08 -0.10 0.00 0.00 175.22 174.99 1smy s VAL 24 N 2.36 2.99 -0.30 -0.44 1.01 -1.17 -1.08 120.40 123.78 1smy s VAL 24 Ca 0.01 -1.43 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 1smy s VAL 24 Cb -0.12 -2.38 0.17 0.00 0.00 0.00 0.00 36.38 34.06 1smy s VAL 24 CO -0.08 0.11 0.73 -0.22 0.00 0.00 0.00 175.10 175.64 1smy s LEU 25 N -2.14 -1.11 0.19 3.92 0.20 -0.60 -2.40 118.68 116.74 1smy s LEU 25 Ca 0.19 0.89 -0.20 0.00 0.69 0.00 0.00 54.13 55.70 1smy s LEU 25 Cb -0.11 2.01 0.04 0.00 -0.43 0.00 0.00 46.19 47.71 1smy s LEU 25 CO 0.11 -0.21 0.57 -1.83 -0.29 0.00 0.00 176.35 174.71 1smy s GLU 26 N 2.85 1.37 0.90 1.98 1.03 -1.26 -3.15 118.70 122.42 1smy s GLU 26 Ca 0.10 -0.70 -0.13 0.00 0.03 0.00 0.00 54.97 54.27 1smy s GLU 26 Cb -0.13 0.56 0.13 0.00 -0.80 0.00 0.00 34.13 33.89 1smy s GLU 26 CO -0.19 -0.59 1.17 -2.14 -1.33 0.00 0.00 175.26 172.18 1smy s PRO 27 N -3.82 1.22 -0.07 -4.83 0.02 -1.26 -2.32 135.00 123.94 1smy s PRO 27 Ca 0.05 0.13 -0.12 0.00 0.02 0.00 0.00 61.00 61.08 1smy s PRO 27 Cb -0.01 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.67 1smy s PRO 27 CO -0.06 -2.11 0.30 -0.51 -0.33 0.00 0.00 177.00 174.28 1smy s LEU 28 N -5.92 0.87 1.28 -5.54 1.43 -0.76 -4.53 118.68 105.52 1smy s LEU 28 Ca 0.65 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 1smy s LEU 28 Cb -0.12 1.13 0.33 0.00 0.03 0.00 0.00 46.19 47.55 1smy s LEU 28 CO 0.52 -0.27 0.98 -1.61 0.23 0.00 0.00 176.35 176.20 1smy s GLU 29 N -0.57 -1.87 -0.22 1.70 0.41 -1.26 -1.74 118.70 115.15 1smy s GLU 29 Ca -0.07 0.52 -0.39 0.00 -0.41 0.00 0.00 54.97 54.61 1smy s GLU 29 Cb -0.04 -1.47 -0.16 0.00 -1.78 0.00 0.00 34.13 30.69 1smy s GLU 29 CO 0.02 -4.27 1.69 -2.13 -0.49 0.00 0.00 175.26 170.08 1smy n ARG 30 N -5.26 1.18 -3.18 1.61 3.00 -1.26 -2.40 116.66 110.35 1smy n ARG 30 Ca 0.07 0.43 -0.22 0.00 -0.00 0.00 0.00 57.85 58.13 1smy n ARG 30 Cb 0.57 -2.12 0.01 0.00 0.00 0.00 0.00 32.46 30.92 1smy n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1smy n GLY 31 N 3.96 -0.50 0.11 5.14 0.00 -1.26 -4.89 105.19 107.76 1smy n GLY 31 Ca 0.25 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 1smy n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1smy n PHE 32 N -4.14 0.75 -0.34 1.61 3.01 -1.01 -3.54 117.46 113.80 1smy n PHE 32 Ca -0.06 0.21 0.23 0.00 1.01 0.00 0.00 57.45 58.84 1smy n PHE 32 Cb 0.58 -1.12 0.50 0.00 -0.01 0.00 0.00 39.48 39.43 1smy n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1smy h GLY 33 N 2.51 1.36 0.46 1.37 0.00 -1.88 0.45 103.07 107.35 1smy h GLY 33 Ca -0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1smy h GLY 33 CO 0.04 -0.19 -0.05 -2.08 0.00 0.00 0.00 176.54 174.27 1smy h VAL 34 N 0.39 1.46 -0.03 4.60 2.07 -1.96 0.35 116.25 123.14 1smy h VAL 34 Ca 0.63 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1smy h VAL 34 Cb 1.56 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1smy h VAL 34 CO -0.35 0.38 0.20 0.74 0.02 0.00 0.00 177.57 178.57 1smy h THR 35 N -0.50 0.07 0.00 2.57 2.02 -0.31 -2.29 112.91 114.47 1smy h THR 35 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1smy h THR 35 Cb 0.65 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1smy h THR 35 CO 0.01 0.00 -0.96 0.18 0.37 0.00 0.00 175.52 175.12 1smy n LEU 36 N -3.09 1.93 -0.32 2.58 4.77 0.59 -4.42 117.00 119.03 1smy n LEU 36 Ca -0.02 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1smy n LEU 36 Cb 0.27 -0.75 0.29 0.00 -2.33 0.00 0.00 43.42 40.90 1smy n LEU 36 CO 0.18 -0.29 1.12 1.23 -1.33 0.00 0.00 177.39 178.31 1smy h GLY 37 N -1.00 1.60 0.59 -0.72 0.00 -0.85 -2.50 103.07 100.20 1smy h GLY 37 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1smy h GLY 37 CO -0.00 -0.12 -0.29 -0.57 0.00 0.00 0.00 176.54 175.56 1smy h ASN 38 N 0.61 -0.68 -0.64 0.19 -0.00 -1.63 0.19 115.58 113.62 1smy h ASN 38 Ca 0.54 0.02 0.11 0.00 -0.00 0.00 0.00 56.30 56.98 1smy h ASN 38 Cb 0.89 0.17 -0.08 0.00 -0.00 0.00 0.00 38.32 39.30 1smy h ASN 38 CO -0.42 -0.48 0.20 -0.65 -0.00 0.00 0.00 177.43 176.08 1smy h PRO 39 N -0.81 0.34 -0.70 6.67 0.11 -1.74 0.61 132.00 136.48 1smy h PRO 39 Ca -0.08 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.09 1smy h PRO 39 Cb 0.61 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 1smy h PRO 39 CO 0.13 0.22 0.36 -0.07 -0.21 0.00 0.00 178.00 178.44 1smy h LEU 40 N 0.35 0.49 -0.41 2.35 3.38 -1.42 0.23 115.31 120.28 1smy h LEU 40 Ca 0.33 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.37 1smy h LEU 40 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1smy h LEU 40 CO -0.37 0.29 0.24 -0.09 0.09 0.00 0.00 178.44 178.60 1smy h ARG 41 N 0.63 0.48 -0.68 1.13 2.43 0.12 0.12 114.38 118.60 1smy h ARG 41 Ca 0.34 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.53 1smy h ARG 41 Cb 0.32 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1smy h ARG 41 CO -0.25 0.31 0.39 0.00 -1.51 0.00 0.00 179.97 178.92 1smy h ARG 42 N 0.49 0.70 0.60 0.20 3.08 0.13 -2.30 114.38 117.28 1smy h ARG 42 Ca 0.16 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1smy h ARG 42 Cb 0.01 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.90 1smy h ARG 42 CO -0.07 0.46 -0.29 0.82 -1.07 0.00 0.00 179.97 179.82 1smy h ILE 43 N 0.72 0.32 0.00 2.04 1.08 -0.48 -2.76 117.51 118.43 1smy h ILE 43 Ca 0.30 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1smy h ILE 43 Cb 0.16 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1smy h ILE 43 CO -0.17 0.03 0.36 -0.07 -0.69 0.00 0.00 178.15 177.61 1smy h LEU 44 N -1.00 0.00 0.00 1.44 3.38 -0.50 0.32 115.31 118.95 1smy h LEU 44 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1smy h LEU 44 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1smy h LEU 44 CO 0.13 0.00 -1.12 0.18 0.09 0.00 0.00 178.44 177.72 1smy n LEU 45 N -2.46 0.52 0.00 1.67 4.77 -0.89 -4.54 117.00 116.07 1smy n LEU 45 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1smy n LEU 45 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1smy n LEU 45 CO 0.09 0.13 -0.33 -1.54 -1.33 0.00 0.00 177.39 174.41 1smy n SER 46 N -1.63 0.03 0.06 -1.43 3.41 0.39 -4.90 113.62 109.55 1smy n SER 46 Ca 0.01 0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1smy n SER 46 Cb 0.32 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1smy n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1smy h SER 47 N 0.00 -0.15 -1.40 4.04 0.02 -0.73 -3.35 113.55 111.98 1smy h SER 47 Ca 0.00 -0.31 -0.76 0.00 -0.84 0.00 0.00 61.79 59.88 1smy h SER 47 Cb 0.66 0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.26 1smy h SER 47 CO 0.00 0.25 0.68 -0.38 -1.14 0.00 0.00 176.83 176.24 1smy n ILE 48 N -4.99 0.15 -2.51 3.27 5.41 -1.23 -4.80 119.36 114.65 1smy n ILE 48 Ca -0.09 -0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.26 1smy n ILE 48 Cb 0.23 -0.87 -0.04 0.00 -0.71 0.00 0.00 39.64 38.26 1smy n ILE 48 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1smy s PRO 49 N 2.46 4.26 0.00 0.38 0.02 -1.26 -4.30 135.00 136.56 1smy s PRO 49 Ca 0.96 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1smy s PRO 49 Cb -1.16 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1smy s PRO 49 CO 0.64 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.65 1smy n GLY 50 N 0.56 4.75 3.16 0.52 0.00 0.35 -4.57 105.19 109.96 1smy n GLY 50 Ca 0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1smy n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1smy s THR 51 N -0.56 0.05 -0.16 2.61 -4.23 -1.24 -1.54 115.64 110.57 1smy s THR 51 Ca 0.00 -0.41 -0.33 0.00 -1.18 0.00 0.00 61.69 59.76 1smy s THR 51 Cb 0.00 -0.48 0.14 0.00 1.34 0.00 0.00 72.50 73.50 1smy s THR 51 CO 0.00 -0.23 1.15 0.00 -0.54 0.00 0.00 174.62 175.00 1smy s ALA 52 N -0.93 -2.02 0.21 3.99 0.00 -1.08 -4.62 121.76 117.31 1smy s ALA 52 Ca -0.10 1.52 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 1smy s ALA 52 Cb -0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 23.12 22.75 1smy s ALA 52 CO 0.02 -0.56 1.26 0.28 0.00 0.00 0.00 175.76 176.76 1smy n VAL 53 N -0.01 1.01 0.00 0.00 0.31 -1.26 -3.11 118.33 115.27 1smy n VAL 53 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1smy n VAL 53 Cb 0.59 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1smy n VAL 53 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1smy n THR 54 N 1.56 0.00 -3.61 2.52 5.66 -1.17 -4.44 114.28 114.81 1smy n THR 54 Ca 0.13 -0.26 -0.11 0.00 -3.05 0.00 0.00 64.05 60.76 1smy n THR 54 Cb 0.28 0.91 -0.06 0.00 -1.55 0.00 0.00 70.33 69.90 1smy n THR 54 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1smy s SER 55 N -0.68 -0.47 0.05 1.09 0.15 -1.26 -2.98 113.70 109.60 1smy s SER 55 Ca 0.00 0.76 0.04 0.00 0.70 0.00 0.00 55.95 57.44 1smy s SER 55 Cb 0.00 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1smy s SER 55 CO 0.00 -0.27 -0.11 -0.69 1.20 0.00 0.00 173.24 173.37 1smy s VAL 56 N -0.33 0.85 -0.05 4.45 1.01 -0.24 0.31 120.40 126.40 1smy s VAL 56 Ca -0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1smy s VAL 56 Cb -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1smy s VAL 56 CO -0.01 -0.25 -0.00 -0.47 0.00 0.00 0.00 175.10 174.36 1smy s TYR 57 N -1.23 0.52 0.08 5.22 5.04 -0.30 -0.05 117.35 126.64 1smy s TYR 57 Ca -0.05 -0.08 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 1smy s TYR 57 Cb -0.09 -0.64 -0.04 0.00 0.35 0.00 0.00 41.96 41.54 1smy s TYR 57 CO 0.01 -0.24 0.02 0.42 -1.34 0.00 0.00 175.55 174.43 1smy s ILE 58 N 1.55 4.15 0.00 3.14 -1.09 -1.26 -1.55 121.20 126.14 1smy s ILE 58 Ca -0.02 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1smy s ILE 58 Cb -0.13 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1smy s ILE 58 CO -0.03 0.13 0.59 -1.84 -1.23 0.00 0.00 174.94 172.56 1smy n GLU 59 N 0.56 0.00 -0.23 2.79 0.28 0.30 -3.28 120.64 121.06 1smy n GLU 59 Ca -0.10 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.55 1smy n GLU 59 Cb 0.52 -1.01 0.19 0.00 1.43 0.00 0.00 31.44 32.57 1smy n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1smy n ASP 60 N -1.72 3.18 -4.73 -1.84 8.00 -1.26 -4.99 116.55 113.18 1smy n ASP 60 Ca 0.00 -2.08 -0.38 0.00 0.71 0.00 0.00 54.79 53.03 1smy n ASP 60 Cb 0.00 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 1smy n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1smy s VAL 61 N -1.15 5.10 -0.19 2.53 1.01 -1.21 -4.98 120.40 121.51 1smy s VAL 61 Ca 0.29 1.12 0.11 0.00 0.00 0.00 0.00 61.98 63.50 1smy s VAL 61 Cb 0.16 -3.89 -0.19 0.00 0.00 0.00 0.00 36.38 32.46 1smy s VAL 61 CO 0.18 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.58 1smy n LEU 62 N 3.47 1.01 -4.23 3.92 -0.00 -1.26 -4.48 117.00 115.42 1smy n LEU 62 Ca -0.06 -0.04 -0.14 0.00 -0.00 0.00 0.00 56.01 55.77 1smy n LEU 62 Cb 0.51 0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1smy n LEU 62 CO 0.44 0.59 -0.41 -1.38 -0.00 0.00 0.00 177.39 176.62 1smy s HIS 63 N -2.44 1.21 0.52 1.47 -3.43 -1.26 -4.72 115.29 106.65 1smy s HIS 63 Ca -0.16 -0.74 0.40 0.00 -0.80 0.00 0.00 55.06 53.76 1smy s HIS 63 Cb 0.06 -0.63 2.10 0.00 -1.43 0.00 0.00 32.58 32.68 1smy s HIS 63 CO 0.66 0.05 2.26 1.49 -2.00 0.00 0.00 174.74 177.20 1smy h GLU 64 N 2.96 0.00 -0.96 -0.38 4.81 -1.95 -2.87 114.58 116.19 1smy h GLU 64 Ca -0.37 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 1smy h GLU 64 Cb 1.19 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.39 1smy h GLU 64 CO 0.61 0.01 0.38 1.19 -0.73 0.00 0.00 179.01 180.47 1smy n PHE 65 N -3.18 1.95 -3.22 0.92 3.01 -1.26 -3.25 117.46 112.43 1smy n PHE 65 Ca -0.02 -1.27 -0.20 0.00 1.01 0.00 0.00 57.45 56.97 1smy n PHE 65 Cb 0.13 -0.67 0.02 0.00 -0.01 0.00 0.00 39.48 38.95 1smy n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1smy s SER 66 N -0.52 5.26 -0.04 4.37 0.01 -1.09 -5.00 113.70 116.69 1smy s SER 66 Ca 0.38 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1smy s SER 66 Cb 0.31 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1smy s SER 66 CO 0.08 -0.95 -0.15 0.28 0.41 0.00 0.00 173.24 172.91 1smy s THR 67 N -2.51 1.25 -0.26 1.44 -1.32 -1.26 -2.35 115.64 110.63 1smy s THR 67 Ca 0.53 -0.61 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 1smy s THR 67 Cb -0.06 -1.09 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1smy s THR 67 CO 0.32 0.37 0.12 -0.63 -2.21 0.00 0.00 174.62 172.59 1smy s ILE 68 N 0.14 4.76 0.74 5.08 1.01 -1.26 -5.01 121.20 126.66 1smy s ILE 68 Ca -0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1smy s ILE 68 Cb -0.11 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1smy s ILE 68 CO 0.02 0.31 0.62 -2.65 0.00 0.00 0.00 174.94 173.24 1smy n PRO 69 N 4.91 0.30 -0.21 2.79 -0.02 -1.26 -1.51 135.00 140.00 1smy n PRO 69 Ca -0.15 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1smy n PRO 69 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1smy n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 70 N 1.50 0.93 3.17 -1.23 0.00 -1.26 -4.56 105.19 103.75 1smy n GLY 70 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1smy n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 71 N -1.90 3.15 0.08 1.61 1.01 -0.57 -0.81 120.40 122.98 1smy s VAL 71 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 1smy s VAL 71 Cb 0.00 -2.88 -0.14 0.00 0.00 0.00 0.00 36.38 33.35 1smy s VAL 71 CO 0.00 -0.24 1.49 0.50 0.00 0.00 0.00 175.10 176.85 1smy h LYS 72 N 8.03 -0.76 -6.57 2.72 3.64 -1.81 -3.42 116.57 118.40 1smy h LYS 72 Ca -0.19 0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.66 1smy h LYS 72 Cb 1.06 0.17 0.16 0.00 -0.41 0.00 0.00 32.23 33.22 1smy h LYS 72 CO 0.57 -0.51 -0.22 0.39 -2.27 0.00 0.00 179.45 177.41 1smy n GLU 73 N -5.14 0.69 -3.95 1.90 -0.58 -1.26 -4.99 120.64 107.31 1smy n GLU 73 Ca -0.09 0.26 -0.23 0.00 -0.42 0.00 0.00 57.16 56.68 1smy n GLU 73 Cb 0.39 -1.81 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1smy n GLU 73 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1smy s ASP 74 N -1.11 6.33 0.30 1.62 1.47 -1.26 -4.61 116.67 119.41 1smy s ASP 74 Ca 0.69 0.13 0.06 0.00 1.18 0.00 0.00 52.55 54.60 1smy s ASP 74 Cb -0.47 -1.89 0.83 0.00 -0.34 0.00 0.00 42.92 41.05 1smy s ASP 74 CO 0.53 -0.02 1.65 0.58 0.68 0.00 0.00 175.17 178.60 1smy h VAL 75 N 1.38 0.32 -0.15 2.11 2.07 -1.69 0.18 116.25 120.46 1smy h VAL 75 Ca -0.50 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 1smy h VAL 75 Cb 1.21 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1smy h VAL 75 CO 0.65 0.05 -0.46 0.58 0.02 0.00 0.00 177.57 178.41 1smy h VAL 76 N 0.26 1.32 0.00 2.57 2.07 -1.79 -0.94 116.25 119.74 1smy h VAL 76 Ca 0.61 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1smy h VAL 76 Cb 1.28 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1smy h VAL 76 CO -0.63 0.50 -0.03 -0.08 0.02 0.00 0.00 177.57 177.35 1smy h GLU 77 N 0.29 0.00 0.05 1.57 4.81 -1.07 -2.84 114.58 117.38 1smy h GLU 77 Ca 0.02 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1smy h GLU 77 Cb 0.92 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1smy h GLU 77 CO 0.08 0.03 -0.65 0.82 -0.73 0.00 0.00 179.01 178.56 1smy h ILE 78 N 0.00 1.44 0.00 2.32 2.04 -0.76 -3.00 117.51 119.55 1smy h ILE 78 Ca -0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1smy h ILE 78 Cb 0.78 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1smy h ILE 78 CO 0.00 0.59 0.00 0.16 0.00 0.00 0.00 178.15 178.91 1smy h ILE 79 N -0.75 0.00 0.01 -0.67 3.07 -1.20 -1.06 117.51 116.91 1smy h ILE 79 Ca -0.15 -0.01 -0.02 0.00 1.55 0.00 0.00 64.86 66.24 1smy h ILE 79 Cb 1.32 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 1smy h ILE 79 CO 0.00 0.00 -0.08 0.25 -1.05 0.00 0.00 178.15 177.27 1smy h LEU 80 N 0.00 0.06 -2.02 0.16 5.85 -1.55 -3.18 115.31 114.63 1smy h LEU 80 Ca 0.00 -0.86 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 1smy h LEU 80 Cb 0.01 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1smy h LEU 80 CO 0.00 0.91 -0.04 0.78 -0.34 0.00 0.00 178.44 179.75 1smy h ASN 81 N -0.78 0.00 -0.29 1.25 4.21 -1.07 -1.21 115.58 117.69 1smy h ASN 81 Ca -0.01 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1smy h ASN 81 Cb 0.93 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 1smy h ASN 81 CO 0.02 0.04 0.00 -0.07 -1.29 0.00 0.00 177.43 176.12 1smy h LEU 82 N 0.00 0.58 -2.29 1.61 3.38 -1.38 -0.95 115.31 116.27 1smy h LEU 82 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1smy h LEU 82 Cb 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1smy h LEU 82 CO 0.00 0.65 -0.04 0.11 0.09 0.00 0.00 178.44 179.26 1smy h LYS 83 N 0.58 0.00 0.00 1.13 1.57 -1.20 -1.03 116.57 117.62 1smy h LYS 83 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1smy h LYS 83 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1smy h LYS 83 CO 0.01 0.04 -0.72 1.49 -0.57 0.00 0.00 179.45 179.70 1smy h GLU 84 N 0.00 0.00 -6.92 3.15 4.57 -1.18 -3.46 114.58 110.74 1smy h GLU 84 Ca -0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1smy h GLU 84 Cb 0.10 0.00 0.10 0.00 -0.16 0.00 0.00 28.75 28.79 1smy h GLU 84 CO 0.01 0.72 0.78 -1.17 -1.18 0.00 0.00 179.01 178.17 1smy s LEU 85 N -7.14 4.33 -0.14 1.64 2.96 -0.39 -5.01 118.68 114.93 1smy s LEU 85 Ca 0.00 3.02 0.01 0.00 -0.22 0.00 0.00 54.13 56.94 1smy s LEU 85 Cb 0.11 -3.66 0.02 0.00 0.50 0.00 0.00 46.19 43.16 1smy s LEU 85 CO 0.77 -0.86 -0.16 0.54 -1.32 0.00 0.00 176.35 175.32 1smy s VAL 86 N -1.00 1.67 0.50 1.68 0.11 -1.26 -4.73 120.40 117.37 1smy s VAL 86 Ca 0.54 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 1smy s VAL 86 Cb -0.46 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 32.86 1smy s VAL 86 CO 0.61 0.47 0.21 0.68 -3.33 0.00 0.00 175.10 173.74 1smy s VAL 87 N 1.18 1.66 -0.30 2.04 -7.23 -1.26 -2.53 120.40 113.95 1smy s VAL 87 Ca -0.01 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1smy s VAL 87 Cb -0.14 -2.37 0.19 0.00 0.56 0.00 0.00 36.38 34.61 1smy s VAL 87 CO -0.06 0.00 0.60 -0.60 -0.31 0.00 0.00 175.10 174.72 1smy s ARG 88 N -4.05 0.56 0.69 4.82 3.52 -0.84 -3.99 118.95 119.67 1smy s ARG 88 Ca 0.26 1.02 -0.05 0.00 -0.13 0.00 0.00 55.73 56.84 1smy s ARG 88 Cb 0.01 0.55 0.07 0.00 -1.56 0.00 0.00 34.95 34.01 1smy s ARG 88 CO 0.15 -0.60 0.98 -0.06 -0.81 0.00 0.00 175.30 174.96 1smy s PHE 89 N 2.85 2.68 -0.44 5.12 0.08 -1.26 -2.06 117.98 124.96 1smy s PHE 89 Ca 0.19 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.55 1smy s PHE 89 Cb -0.15 -3.13 -0.02 0.00 -0.57 0.00 0.00 43.02 39.16 1smy s PHE 89 CO -0.21 -1.39 0.40 1.28 -0.10 0.00 0.00 175.22 175.20 1smy n LEU 90 N -2.83 0.74 -3.51 -0.37 4.77 -1.10 -4.98 117.00 109.72 1smy n LEU 90 Ca 0.09 -0.70 -0.17 0.00 -0.03 0.00 0.00 56.01 55.20 1smy n LEU 90 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1smy n LEU 90 CO 0.49 0.16 0.45 0.21 -1.33 0.00 0.00 177.39 177.37 1smy s ASN 91 N -1.09 -0.64 0.26 -1.43 2.47 -1.26 -5.05 114.94 108.20 1smy s ASN 91 Ca 0.04 0.62 0.15 0.00 0.42 0.00 0.00 52.86 54.08 1smy s ASN 91 Cb 0.04 0.54 0.95 0.00 -1.45 0.00 0.00 41.25 41.34 1smy s ASN 91 CO 0.16 -0.65 1.13 -2.65 -3.72 0.00 0.00 177.10 171.37 1smy n PRO 92 N 0.74 -0.04 0.22 0.43 -0.02 -1.26 -1.12 135.00 133.95 1smy n PRO 92 Ca -0.18 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 1smy n PRO 92 Cb 0.58 -1.77 0.46 0.00 -0.02 0.00 0.00 33.50 32.76 1smy n PRO 92 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1smy h SER 93 N 0.00 0.00 -3.51 2.55 0.02 -2.04 -3.26 113.55 107.32 1smy h SER 93 Ca 0.60 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.79 1smy h SER 93 Cb 1.59 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.86 1smy h SER 93 CO -0.55 0.00 -0.12 -0.76 -1.14 0.00 0.00 176.83 174.25 1smy s LEU 94 N -5.83 6.28 -0.22 5.07 1.02 -0.27 -4.82 118.68 119.91 1smy s LEU 94 Ca -0.02 -2.27 -0.15 0.00 0.02 0.00 0.00 54.13 51.71 1smy s LEU 94 Cb 0.07 -2.15 -0.18 0.00 0.02 0.00 0.00 46.19 43.95 1smy s LEU 94 CO 0.24 -0.68 0.04 0.00 0.02 0.00 0.00 176.35 175.98 1smy n GLN 95 N 4.53 0.61 -3.74 1.70 3.00 -1.23 -4.79 117.38 117.46 1smy n GLN 95 Ca 0.00 0.41 -0.26 0.00 -0.01 0.00 0.00 57.00 57.14 1smy n GLN 95 Cb 0.43 -1.65 -0.17 0.00 0.00 0.00 0.00 30.24 28.85 1smy n GLN 95 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1smy s THR 96 N -2.45 0.43 -0.11 5.09 -1.32 -1.26 -2.37 115.64 113.65 1smy s THR 96 Ca -0.31 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 59.88 1smy s THR 96 Cb 0.09 -0.83 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 1smy s THR 96 CO 0.59 -0.06 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.09 1smy s VAL 97 N 1.92 2.86 -0.48 5.08 1.01 0.27 -4.93 120.40 126.13 1smy s VAL 97 Ca 0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1smy s VAL 97 Cb -0.15 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.17 1smy s VAL 97 CO -0.07 0.54 0.38 -0.89 0.00 0.00 0.00 175.10 175.06 1smy s THR 98 N 0.16 4.54 0.11 3.92 2.01 -1.26 -0.49 115.64 124.62 1smy s THR 98 Ca -0.08 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 1smy s THR 98 Cb -0.15 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1smy s THR 98 CO 0.05 -0.75 1.12 -0.76 -0.69 0.00 0.00 174.62 173.59 1smy s LEU 99 N 1.45 4.43 0.05 4.42 1.02 -0.94 -4.87 118.68 124.25 1smy s LEU 99 Ca 0.05 2.00 0.01 0.00 0.02 0.00 0.00 54.13 56.21 1smy s LEU 99 Cb -0.27 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 1smy s LEU 99 CO 0.01 -0.32 0.14 -0.76 0.02 0.00 0.00 176.35 175.43 1smy s LEU 100 N 0.39 4.07 -0.20 1.79 1.43 -1.26 -1.95 118.68 122.95 1smy s LEU 100 Ca 0.53 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1smy s LEU 100 Cb -0.28 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.34 1smy s LEU 100 CO 0.32 0.19 0.52 -0.22 0.23 0.00 0.00 176.35 177.39 1smy s LEU 101 N -2.31 -0.02 -0.24 1.79 0.20 -0.65 -2.03 118.68 115.42 1smy s LEU 101 Ca 0.30 1.06 -0.03 0.00 0.69 0.00 0.00 54.13 56.15 1smy s LEU 101 Cb -0.12 1.79 0.14 0.00 -0.43 0.00 0.00 46.19 47.56 1smy s LEU 101 CO 0.23 -0.18 0.40 -0.75 -0.29 0.00 0.00 176.35 175.76 1smy s LYS 102 N 0.35 0.37 0.04 1.98 2.20 -1.26 -0.04 119.74 123.38 1smy s LYS 102 Ca -0.01 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 1smy s LYS 102 Cb -0.04 -0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 1smy s LYS 102 CO -0.00 -0.60 -0.10 0.00 -0.36 0.00 0.00 175.35 174.29 1smy s ALA 103 N 2.59 0.81 0.27 3.13 0.00 -0.59 -4.99 121.76 122.97 1smy s ALA 103 Ca 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1smy s ALA 103 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1smy s ALA 103 CO -0.16 0.08 0.17 -1.21 0.00 0.00 0.00 175.76 174.64 1smy s GLU 104 N -1.38 1.48 0.39 0.00 2.02 -1.26 -2.35 118.70 117.59 1smy s GLU 104 Ca -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1smy s GLU 104 Cb -0.09 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1smy s GLU 104 CO 0.01 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.24 1smy n GLY 105 N -0.48 -2.57 3.53 -1.39 0.00 -1.21 -4.58 105.19 98.49 1smy n GLY 105 Ca 0.03 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1smy n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 106 N -3.90 0.52 -3.62 1.61 -0.02 -1.08 -4.49 135.00 124.03 1smy n PRO 106 Ca -0.03 -0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.13 1smy n PRO 106 Cb 0.52 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 1smy n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1smy s LYS 107 N 8.45 0.87 -1.02 -0.52 2.20 -0.79 -4.99 119.74 123.94 1smy s LYS 107 Ca 1.12 0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 56.91 1smy s LYS 107 Cb -0.56 0.41 0.24 0.00 -1.51 0.00 0.00 37.83 36.41 1smy s LYS 107 CO 0.33 -0.23 1.04 -1.21 -0.36 0.00 0.00 175.35 174.92 1smy s GLU 108 N -0.84 3.97 -0.32 4.03 2.02 -1.26 -1.09 118.70 125.21 1smy s GLU 108 Ca -0.09 -2.84 -0.32 0.00 0.02 0.00 0.00 54.97 51.75 1smy s GLU 108 Cb -0.02 -4.59 -0.09 0.00 0.10 0.00 0.00 34.13 29.53 1smy s GLU 108 CO 0.06 -1.34 2.23 0.28 0.02 0.00 0.00 175.26 176.51 1smy n VAL 109 N 3.46 0.23 -3.34 2.63 0.31 -1.04 -4.91 118.33 115.66 1smy n VAL 109 Ca 0.22 -0.37 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 1smy n VAL 109 Cb 0.43 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.33 1smy n VAL 109 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1smy s LYS 110 N 6.45 2.39 0.40 5.55 1.02 -1.26 -2.41 119.74 131.89 1smy s LYS 110 Ca 1.06 -1.68 0.29 0.00 0.02 0.00 0.00 55.97 55.66 1smy s LYS 110 Cb -0.62 -2.47 1.20 0.00 -0.52 0.00 0.00 37.83 35.41 1smy s LYS 110 CO 0.42 -0.62 1.85 0.00 -0.92 0.00 0.00 175.35 176.08 1smy h ALA 111 N 0.52 1.00 0.00 5.17 0.00 -0.08 -2.27 119.26 123.60 1smy h ALA 111 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1smy h ALA 111 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1smy h ALA 111 CO 0.48 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.62 1smy n ARG 112 N -2.63 0.04 0.00 0.00 1.85 -0.12 -2.86 116.66 112.93 1smy n ARG 112 Ca 0.01 0.22 0.15 0.00 -1.00 0.00 0.00 57.85 57.23 1smy n ARG 112 Cb 0.25 -1.56 0.76 0.00 -1.05 0.00 0.00 32.46 30.86 1smy n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1smy n ASP 113 N -1.63 0.02 -4.75 2.89 8.00 -0.85 -4.84 116.55 115.39 1smy n ASP 113 Ca 0.04 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.93 1smy n ASP 113 Cb 0.22 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1smy n ASP 113 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1smy s PHE 114 N -2.54 3.43 0.19 1.24 0.40 -1.14 -4.72 117.98 114.84 1smy s PHE 114 Ca 0.29 1.55 -0.32 0.00 -0.60 0.00 0.00 56.93 57.85 1smy s PHE 114 Cb 0.20 -3.41 -0.11 0.00 0.51 0.00 0.00 43.02 40.21 1smy s PHE 114 CO 0.46 -1.03 1.62 -0.48 0.70 0.00 0.00 175.22 176.49 1smy s LEU 115 N -1.08 4.37 0.52 -0.37 0.05 -0.86 -4.92 118.68 116.39 1smy s LEU 115 Ca 0.48 2.72 -0.21 0.00 0.05 0.00 0.00 54.13 57.17 1smy s LEU 115 Cb -0.34 -3.60 -0.07 0.00 -2.05 0.00 0.00 46.19 40.14 1smy s LEU 115 CO 0.42 -0.88 1.08 -2.65 -0.55 0.00 0.00 176.35 173.77 1smy n PRO 116 N 3.90 1.29 -4.06 1.48 -0.02 -1.26 -4.66 135.00 131.67 1smy n PRO 116 Ca 0.14 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 1smy n PRO 116 Cb 0.37 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 1smy n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1smy s VAL 117 N -1.37 0.82 0.00 -1.45 1.01 -1.26 -5.08 120.40 113.07 1smy s VAL 117 Ca 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1smy s VAL 117 Cb -0.46 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1smy s VAL 117 CO 0.51 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.93 1smy n ALA 118 N 4.60 0.00 1.51 5.51 0.00 -1.26 -0.76 120.51 130.10 1smy n ALA 118 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1smy n ALA 118 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.98 1smy n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1smy n ASP 119 N -0.10 0.00 -4.43 0.00 9.92 -1.26 -4.78 116.55 115.90 1smy n ASP 119 Ca 0.00 -1.48 -0.32 0.00 -0.53 0.00 0.00 54.79 52.45 1smy n ASP 119 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1smy n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1smy s VAL 120 N -2.00 2.83 0.10 2.53 1.01 0.06 -2.73 120.40 122.21 1smy s VAL 120 Ca 0.01 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1smy s VAL 120 Cb 0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1smy s VAL 120 CO 0.01 0.59 -0.20 -0.70 0.00 0.00 0.00 175.10 174.80 1smy s GLU 121 N -0.64 1.10 -0.31 2.72 2.12 -0.87 -4.46 118.70 118.37 1smy s GLU 121 Ca 0.10 -1.16 -0.01 0.00 0.36 0.00 0.00 54.97 54.26 1smy s GLU 121 Cb -0.11 -1.31 0.06 0.00 0.26 0.00 0.00 34.13 33.03 1smy s GLU 121 CO 0.01 0.30 0.00 0.42 -0.54 0.00 0.00 175.26 175.45 1smy s ILE 122 N -1.27 2.81 -0.86 -3.70 1.01 -1.26 -1.98 121.20 115.96 1smy s ILE 122 Ca 0.06 -1.57 0.23 0.00 0.00 0.00 0.00 60.65 59.37 1smy s ILE 122 Cb -0.10 -2.68 0.21 0.00 0.01 0.00 0.00 42.46 39.90 1smy s ILE 122 CO 0.04 -0.18 1.71 0.23 0.00 0.00 0.00 174.94 176.74 1smy n MET 123 N 4.56 0.08 -2.31 2.79 2.81 -1.05 -3.89 117.12 120.10 1smy n MET 123 Ca -0.11 0.20 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 1smy n MET 123 Cb 0.43 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 31.33 1smy n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1smy n ASN 124 N -1.77 5.65 0.05 7.83 2.85 -1.24 -4.94 115.26 123.70 1smy n ASN 124 Ca 0.05 -3.76 -0.08 0.00 -0.11 0.00 0.00 54.58 50.68 1smy n ASN 124 Cb 0.28 -0.67 -0.05 0.00 1.24 0.00 0.00 39.78 40.58 1smy n ASN 124 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1smy h PRO 125 N 2.75 -0.36 0.00 1.20 0.11 -1.89 -2.78 132.00 131.03 1smy h PRO 125 Ca 0.39 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1smy h PRO 125 Cb 0.61 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1smy h PRO 125 CO 1.04 -0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 1smy n ASP 126 N -3.97 0.00 -4.67 -2.05 10.43 -1.26 -0.91 116.55 114.12 1smy n ASP 126 Ca -0.04 -0.54 -0.46 0.00 2.57 0.00 0.00 54.79 56.32 1smy n ASP 126 Cb 0.21 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.12 1smy n ASP 126 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1smy n LEU 127 N -0.90 3.21 -4.74 0.64 7.94 -1.05 -4.70 117.00 117.40 1smy n LEU 127 Ca 0.09 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.64 1smy n LEU 127 Cb 0.04 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 42.52 1smy n LEU 127 CO 0.07 -0.22 0.73 -2.28 -1.11 0.00 0.00 177.39 174.57 1smy s HIS 128 N 1.50 3.74 0.00 1.96 5.65 -1.26 -1.66 115.29 125.22 1smy s HIS 128 Ca 0.81 1.73 0.00 0.00 0.25 0.00 0.00 55.06 57.85 1smy s HIS 128 Cb -0.67 -3.15 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 1smy s HIS 128 CO 0.40 -0.14 0.00 -0.89 -0.65 0.00 0.00 174.74 173.45 1smy n ILE 129 N 2.27 0.00 -3.61 0.89 2.08 -1.01 -4.91 119.36 115.08 1smy n ILE 129 Ca 0.01 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.31 1smy n ILE 129 Cb 0.47 -0.71 -0.01 0.00 -0.75 0.00 0.00 39.64 38.64 1smy n ILE 129 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1smy s ALA 130 N -1.88 -2.22 -0.32 -1.39 0.00 -1.20 -4.78 121.76 109.98 1smy s ALA 130 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1smy s ALA 130 Cb 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.19 1smy s ALA 130 CO 0.00 -0.77 0.03 0.95 0.00 0.00 0.00 175.76 175.98 1smy s THR 131 N -2.26 2.04 0.12 0.00 -4.23 -1.26 -2.49 115.64 107.55 1smy s THR 131 Ca 0.12 -2.09 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 1smy s THR 131 Cb 0.02 -2.46 -0.07 0.00 1.34 0.00 0.00 72.50 71.33 1smy s THR 131 CO -0.04 -0.53 0.63 -0.76 -0.54 0.00 0.00 174.62 173.38 1smy s LEU 132 N 1.04 4.51 0.00 4.79 1.02 -0.25 -3.55 118.68 126.23 1smy s LEU 132 Ca 0.08 1.35 0.00 0.00 0.02 0.00 0.00 54.13 55.58 1smy s LEU 132 Cb -0.19 -3.09 0.00 0.00 0.02 0.00 0.00 46.19 42.93 1smy s LEU 132 CO -0.10 0.22 0.00 -1.84 0.02 0.00 0.00 176.35 174.65 1smy n GLU 133 N 1.50 3.63 -2.21 1.70 0.28 0.01 -1.88 120.64 123.67 1smy n GLU 133 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.51 1smy n GLU 133 Cb 0.50 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.34 1smy n GLU 133 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1smy s GLU 134 N 2.94 4.39 -1.32 3.44 1.03 -1.26 -2.64 118.70 125.28 1smy s GLU 134 Ca 0.00 2.07 -0.03 0.00 0.03 0.00 0.00 54.97 57.04 1smy s GLU 134 Cb 0.00 -3.17 0.00 0.00 -0.80 0.00 0.00 34.13 30.16 1smy s GLU 134 CO 0.00 -0.22 0.39 0.41 -1.33 0.00 0.00 175.26 174.50 1smy n GLY 135 N 2.08 -0.31 3.35 -3.83 0.00 -1.26 -4.79 105.19 100.43 1smy n GLY 135 Ca 0.05 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1smy n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smy s GLY 136 N -2.64 1.92 0.01 -0.02 0.00 -1.16 -4.76 107.32 100.68 1smy s GLY 136 Ca 0.19 -2.32 -0.23 0.00 0.00 0.00 0.00 44.72 42.36 1smy s GLY 136 CO 0.24 1.38 0.69 0.50 0.00 0.00 0.00 173.10 175.91 1smy s ARG 137 N 2.16 4.42 -0.35 2.90 1.81 -1.26 -3.36 118.95 125.27 1smy s ARG 137 Ca 0.08 0.92 0.02 0.00 -1.72 0.00 0.00 55.73 55.03 1smy s ARG 137 Cb -0.26 -3.37 0.15 0.00 -0.45 0.00 0.00 34.95 31.02 1smy s ARG 137 CO 0.05 0.29 0.38 -1.17 -0.68 0.00 0.00 175.30 174.17 1smy s LEU 138 N 0.01 -0.26 -0.23 2.53 2.96 -0.99 -4.96 118.68 117.73 1smy s LEU 138 Ca 0.36 -1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1smy s LEU 138 Cb -0.19 0.69 0.02 0.00 0.50 0.00 0.00 46.19 47.21 1smy s LEU 138 CO 0.20 -0.29 -0.09 0.21 -1.32 0.00 0.00 176.35 175.06 1smy s ASN 139 N 1.79 4.06 0.15 3.68 2.47 -1.26 -1.54 114.94 124.28 1smy s ASN 139 Ca 0.14 -0.76 -0.04 0.00 0.42 0.00 0.00 52.86 52.62 1smy s ASN 139 Cb -0.14 -1.63 -0.03 0.00 -1.45 0.00 0.00 41.25 38.00 1smy s ASN 139 CO -0.13 -0.08 0.15 0.00 -3.72 0.00 0.00 177.10 173.32 1smy s MET 140 N 1.33 1.05 -0.15 0.43 0.23 0.94 -0.54 119.30 122.60 1smy s MET 140 Ca 0.02 -1.35 -0.02 0.00 -1.03 0.00 0.00 55.69 53.31 1smy s MET 140 Cb -0.16 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.49 1smy s MET 140 CO -0.06 -0.34 -0.00 -1.21 -2.03 0.00 0.00 175.02 171.38 1smy s GLU 141 N -4.03 0.91 -0.27 3.16 2.02 -0.59 -1.64 118.70 118.26 1smy s GLU 141 Ca 0.23 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 1smy s GLU 141 Cb 0.06 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.56 1smy s GLU 141 CO 0.02 -0.47 -0.01 0.14 0.02 0.00 0.00 175.26 174.96 1smy s VAL 142 N 1.81 3.27 0.75 2.63 -7.23 -0.83 -1.15 120.40 119.67 1smy s VAL 142 Ca 0.01 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 1smy s VAL 142 Cb -0.15 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.17 1smy s VAL 142 CO -0.07 0.15 1.15 -0.60 -0.31 0.00 0.00 175.10 175.41 1smy s ARG 143 N 1.39 2.13 -0.12 4.82 3.52 0.15 -2.20 118.95 128.63 1smy s ARG 143 Ca 0.01 1.50 -0.06 0.00 -0.13 0.00 0.00 55.73 57.05 1smy s ARG 143 Cb -0.17 -1.86 0.05 0.00 -1.56 0.00 0.00 34.95 31.42 1smy s ARG 143 CO -0.02 -1.79 0.29 0.08 -0.81 0.00 0.00 175.30 173.05 1smy s VAL 144 N -2.40 -0.09 0.31 7.11 1.01 0.35 -3.02 120.40 123.67 1smy s VAL 144 Ca 0.68 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1smy s VAL 144 Cb -0.23 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1smy s VAL 144 CO 0.49 0.06 0.06 -1.81 0.00 0.00 0.00 175.10 173.90 1smy s ASP 145 N 1.45 2.22 -0.30 3.32 1.11 -1.18 -0.56 116.67 122.73 1smy s ASP 145 Ca -0.08 -1.37 -0.07 0.00 0.18 0.00 0.00 52.55 51.20 1smy s ASP 145 Cb -0.10 -0.05 0.00 0.00 1.07 0.00 0.00 42.92 43.84 1smy s ASP 145 CO -0.10 -0.61 0.10 -0.60 1.18 0.00 0.00 175.17 175.14 1smy s ARG 146 N -3.91 3.17 0.00 8.23 3.00 -1.00 -2.63 118.95 125.82 1smy s ARG 146 Ca 0.36 -0.81 0.00 0.00 -1.00 0.00 0.00 55.73 54.28 1smy s ARG 146 Cb 0.08 -3.41 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1smy s ARG 146 CO 0.15 -0.43 0.00 0.41 0.00 0.00 0.00 175.30 175.43 1smy n GLY 147 N 4.90 4.48 2.94 8.12 0.00 -0.59 -4.95 105.19 120.09 1smy n GLY 147 Ca -0.14 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1smy n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 148 N -1.64 -0.02 0.00 1.61 1.01 -1.26 -0.50 120.40 119.60 1smy s VAL 148 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1smy s VAL 148 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1smy s VAL 148 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1smy n GLY 149 N 3.60 -0.67 3.49 4.51 0.00 -1.26 -4.83 105.19 110.04 1smy n GLY 149 Ca -0.19 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1smy n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1smy s TYR 150 N 0.00 3.02 -0.25 1.61 5.04 -1.26 -0.64 117.35 124.87 1smy s TYR 150 Ca 0.00 -0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1smy s TYR 150 Cb 0.00 -1.96 0.07 0.00 0.35 0.00 0.00 41.96 40.42 1smy s TYR 150 CO 0.00 -0.05 0.01 0.08 -1.34 0.00 0.00 175.55 174.25 1smy s VAL 151 N 0.38 1.19 0.34 3.14 1.01 0.05 -4.98 120.40 121.53 1smy s VAL 151 Ca -0.04 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1smy s VAL 151 Cb -0.14 -1.65 -0.12 0.00 0.00 0.00 0.00 36.38 34.47 1smy s VAL 151 CO 0.03 -0.30 1.42 -2.65 0.00 0.00 0.00 175.10 173.60 1smy n PRO 152 N 4.77 2.42 0.32 2.72 -0.02 -1.26 0.00 135.00 143.95 1smy n PRO 152 Ca -0.08 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.42 1smy n PRO 152 Cb 0.44 -2.53 0.86 0.00 -0.02 0.00 0.00 33.50 32.25 1smy n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy h ALA 153 N 3.15 1.24 -0.00 3.55 0.00 -1.88 0.60 119.26 125.92 1smy h ALA 153 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1smy h ALA 153 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1smy h ALA 153 CO 0.66 -0.24 -0.92 0.93 0.00 0.00 0.00 179.25 179.68 1smy h GLU 154 N 0.00 0.39 0.10 0.00 3.07 -1.91 -2.61 114.58 113.61 1smy h GLU 154 Ca 0.00 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1smy h GLU 154 Cb 0.49 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1smy h GLU 154 CO 0.00 1.08 -0.05 -0.22 -1.40 0.00 0.00 179.01 178.43 1smy h LYS 155 N 0.22 -0.12 0.00 2.33 3.64 -0.11 -3.37 116.57 119.15 1smy h LYS 155 Ca -0.07 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1smy h LYS 155 Cb 1.56 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 1smy h LYS 155 CO 0.16 0.19 -0.47 1.12 -2.27 0.00 0.00 179.45 178.18 1smy h HIS 156 N -0.44 0.00 -5.21 1.91 2.07 -1.66 -3.50 115.15 108.33 1smy h HIS 156 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1smy h HIS 156 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 1smy h HIS 156 CO 0.03 0.78 -0.04 0.41 -3.07 0.00 0.00 177.93 176.04 1smy n GLY 157 N 1.59 -1.19 3.76 6.13 0.00 -0.98 -4.96 105.19 109.54 1smy n GLY 157 Ca -0.14 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1smy n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smy s ILE 158 N -2.96 2.90 -0.48 -0.61 -1.09 -1.26 -5.02 121.20 112.67 1smy s ILE 158 Ca 0.02 0.52 0.07 0.00 -2.23 0.00 0.00 60.65 59.02 1smy s ILE 158 Cb -0.01 -3.14 0.24 0.00 -1.58 0.00 0.00 42.46 37.97 1smy s ILE 158 CO 0.70 -0.16 0.56 0.29 -1.23 0.00 0.00 174.94 175.11 1smy n LYS 159 N -1.77 1.25 0.00 2.79 5.02 -1.26 -4.74 118.16 119.45 1smy n LYS 159 Ca 0.12 -3.72 0.00 0.00 -2.02 0.00 0.00 58.31 52.70 1smy n LYS 159 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1smy n LYS 159 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1smy n ASP 160 N 1.45 0.00 -4.47 4.39 9.92 -1.26 -4.89 116.55 121.69 1smy n ASP 160 Ca 0.25 0.47 -0.33 0.00 -0.53 0.00 0.00 54.79 54.65 1smy n ASP 160 Cb 0.48 -0.44 -0.13 0.00 -0.64 0.00 0.00 41.12 40.39 1smy n ASP 160 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1smy s ARG 161 N -1.01 2.79 0.50 -1.24 0.52 -1.26 -5.02 118.95 114.23 1smy s ARG 161 Ca 0.00 -0.66 0.32 0.00 -0.52 0.00 0.00 55.73 54.86 1smy s ARG 161 Cb 0.00 -2.49 1.43 0.00 0.52 0.00 0.00 34.95 34.41 1smy s ARG 161 CO 0.00 0.52 1.77 -0.84 0.02 0.00 0.00 175.30 176.77 1smy h ILE 162 N 4.61 0.40 -0.00 1.52 3.07 -1.98 0.35 117.51 125.48 1smy h ILE 162 Ca -0.41 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1smy h ILE 162 Cb 1.17 0.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1smy h ILE 162 CO 0.52 0.02 -0.31 0.59 -1.05 0.00 0.00 178.15 177.92 1smy n ASN 163 N -4.33 0.69 -4.54 2.16 5.03 -1.26 -4.93 115.26 108.07 1smy n ASN 163 Ca 0.27 -0.52 -0.29 0.00 0.87 0.00 0.00 54.58 54.91 1smy n ASN 163 Cb 1.19 0.11 0.23 0.00 -1.02 0.00 0.00 39.78 40.29 1smy n ASN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1smy s ALA 164 N -2.72 0.06 -0.03 5.41 0.00 0.12 -4.59 121.76 120.01 1smy s ALA 164 Ca 0.19 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1smy s ALA 164 Cb 0.19 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1smy s ALA 164 CO 0.58 -3.56 -0.05 0.96 0.00 0.00 0.00 175.76 173.69 1smy s ILE 165 N -2.50 0.52 0.30 0.00 -4.36 0.93 -4.97 121.20 111.11 1smy s ILE 165 Ca 0.68 -0.16 -0.28 0.00 -0.26 0.00 0.00 60.65 60.64 1smy s ILE 165 Cb -0.25 -0.52 -0.09 0.00 1.25 0.00 0.00 42.46 42.85 1smy s ILE 165 CO 0.63 0.20 0.98 -2.84 0.24 0.00 0.00 174.94 174.15 1smy s PRO 166 N 0.64 4.63 0.19 0.37 0.02 -1.26 -1.07 135.00 138.52 1smy s PRO 166 Ca -0.08 1.49 0.11 0.00 0.02 0.00 0.00 61.00 62.53 1smy s PRO 166 Cb -0.12 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 1smy s PRO 166 CO 0.00 0.29 -0.23 0.14 -0.33 0.00 0.00 177.00 176.87 1smy s VAL 167 N -1.40 2.39 0.18 3.83 -7.23 -1.16 -4.83 120.40 112.18 1smy s VAL 167 Ca 0.47 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.31 1smy s VAL 167 Cb -0.24 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 1smy s VAL 167 CO 0.30 -0.12 1.50 -1.81 -0.31 0.00 0.00 175.10 174.65 1smy s ASP 168 N -2.70 6.65 -0.36 4.85 1.01 -1.26 -4.14 116.67 120.72 1smy s ASP 168 Ca 0.21 2.58 -0.21 0.00 0.71 0.00 0.00 52.55 55.84 1smy s ASP 168 Cb -0.08 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1smy s ASP 168 CO 0.10 -0.76 0.64 0.00 0.21 0.00 0.00 175.17 175.37 1smy s ALA 169 N 0.81 3.45 -0.46 5.23 0.00 0.10 -4.87 121.76 126.01 1smy s ALA 169 Ca 0.66 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 1smy s ALA 169 Cb -0.42 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 19.63 1smy s ALA 169 CO 0.34 -1.38 0.31 0.08 0.00 0.00 0.00 175.76 175.11 1smy s VAL 170 N 2.74 3.90 -0.14 0.00 1.01 -1.26 -0.77 120.40 125.87 1smy s VAL 170 Ca 0.25 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.11 1smy s VAL 170 Cb -0.14 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 1smy s VAL 170 CO 0.15 -0.76 0.42 -0.26 0.00 0.00 0.00 175.10 174.66 1smy h PHE 171 N 8.24 0.28 -0.29 5.22 0.04 -1.19 -3.41 116.94 125.83 1smy h PHE 171 Ca -0.17 -0.20 -0.63 0.00 2.80 0.00 0.00 57.97 59.77 1smy h PHE 171 Cb 1.06 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.15 1smy h PHE 171 CO 0.62 1.54 1.52 0.45 -0.60 0.00 0.00 178.31 181.84 1smy n SER 172 N -4.06 0.92 0.17 2.17 2.88 -1.26 -3.54 113.62 110.91 1smy n SER 172 Ca -0.28 0.37 0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1smy n SER 172 Cb 0.83 -1.01 0.59 0.00 -0.75 0.00 0.00 64.21 63.86 1smy n SER 172 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1smy h PRO 173 N 11.37 0.00 -6.47 -1.46 0.11 -1.81 -3.42 132.00 130.32 1smy h PRO 173 Ca -0.12 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.46 1smy h PRO 173 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1smy h PRO 173 CO 1.19 0.00 0.40 0.08 -0.21 0.00 0.00 178.00 179.46 1smy s VAL 174 N -3.48 4.60 -0.09 3.15 1.01 -1.26 -0.50 120.40 123.83 1smy s VAL 174 Ca 0.01 1.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 1smy s VAL 174 Cb 0.08 -4.25 -0.28 0.00 0.00 0.00 0.00 36.38 31.93 1smy s VAL 174 CO 0.34 0.20 0.50 0.03 0.00 0.00 0.00 175.10 176.17 1smy h ARG 175 N 6.40 0.32 -1.49 2.72 2.47 -1.10 -3.47 114.38 120.24 1smy h ARG 175 Ca -0.42 -0.55 0.09 0.00 -1.26 0.00 0.00 59.98 57.84 1smy h ARG 175 Cb 1.22 0.21 -0.27 0.00 -1.65 0.00 0.00 29.97 29.47 1smy h ARG 175 CO 0.75 1.27 0.55 -0.98 0.56 0.00 0.00 179.97 182.12 1smy s ARG 176 N -2.57 0.43 0.17 0.04 1.70 -1.25 -5.01 118.95 112.46 1smy s ARG 176 Ca -0.20 0.44 0.06 0.00 -0.47 0.00 0.00 55.73 55.56 1smy s ARG 176 Cb 0.06 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1smy s ARG 176 CO 0.81 -0.07 0.08 0.08 -1.08 0.00 0.00 175.30 175.12 1smy s VAL 177 N -0.00 4.17 -0.27 4.99 1.01 -1.26 -2.39 120.40 126.65 1smy s VAL 177 Ca 0.03 -1.21 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 1smy s VAL 177 Cb -0.04 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1smy s VAL 177 CO -0.07 -0.10 0.72 0.00 0.00 0.00 0.00 175.10 175.64 1smy s ALA 178 N -1.73 -1.77 -0.05 5.51 0.00 -0.84 -4.99 121.76 117.89 1smy s ALA 178 Ca 0.29 2.02 -0.05 0.00 0.00 0.00 0.00 51.96 54.23 1smy s ALA 178 Cb -0.10 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1smy s ALA 178 CO 0.21 -0.34 0.14 -0.59 0.00 0.00 0.00 175.76 175.18 1smy s PHE 179 N 0.39 -0.15 0.08 0.00 -0.12 -1.26 0.34 117.98 117.25 1smy s PHE 179 Ca -0.00 0.39 0.10 0.00 -0.05 0.00 0.00 56.93 57.36 1smy s PHE 179 Cb -0.05 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1smy s PHE 179 CO 0.01 -0.09 -0.27 -0.65 -0.05 0.00 0.00 175.22 174.18 1smy s GLN 180 N 0.21 1.66 -0.63 1.99 -0.21 -1.05 -4.98 119.66 116.67 1smy s GLN 180 Ca -0.01 -1.20 0.05 0.00 0.02 0.00 0.00 55.36 54.22 1smy s GLN 180 Cb -0.02 -1.95 0.16 0.00 1.00 0.00 0.00 33.01 32.20 1smy s GLN 180 CO -0.01 0.49 0.44 0.08 -2.12 0.00 0.00 175.29 174.17 1smy s VAL 181 N -0.90 2.35 -0.04 1.09 1.01 -1.26 -2.21 120.40 120.44 1smy s VAL 181 Ca 0.13 -3.84 -0.17 0.00 0.00 0.00 0.00 61.98 58.10 1smy s VAL 181 Cb -0.10 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1smy s VAL 181 CO 0.04 -1.03 0.45 -1.83 0.00 0.00 0.00 175.10 172.73 1smy s GLU 182 N -1.01 4.12 0.60 2.72 -1.05 -1.21 -4.77 118.70 118.09 1smy s GLU 182 Ca 0.25 0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 55.35 1smy s GLU 182 Cb -0.06 -3.31 -0.05 0.00 -0.44 0.00 0.00 34.13 30.28 1smy s GLU 182 CO -0.15 0.48 1.00 -0.25 0.95 0.00 0.00 175.26 177.29 1smy n ASP 183 N 2.52 0.91 -3.82 0.83 8.00 -1.26 -2.72 116.55 121.01 1smy n ASP 183 Ca -0.11 0.82 -0.19 0.00 0.71 0.00 0.00 54.79 56.02 1smy n ASP 183 Cb 0.52 -1.40 -0.17 0.00 -0.02 0.00 0.00 41.12 40.05 1smy n ASP 183 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1smy s THR 184 N -1.49 0.27 -0.40 -3.53 -1.32 -0.42 -4.86 115.64 103.88 1smy s THR 184 Ca 0.76 0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 61.05 1smy s THR 184 Cb -0.42 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 1smy s THR 184 CO 0.47 0.19 0.89 -0.60 -2.21 0.00 0.00 174.62 173.36 1smy s ARG 185 N 1.24 3.70 -0.29 7.08 6.06 -1.26 -4.02 118.95 131.47 1smy s ARG 185 Ca -0.06 0.36 -0.03 0.00 -2.50 0.00 0.00 55.73 53.50 1smy s ARG 185 Cb -0.13 -3.85 0.10 0.00 0.06 0.00 0.00 34.95 31.12 1smy s ARG 185 CO -0.02 -1.03 0.11 -1.17 -2.50 0.00 0.00 175.30 170.69 1smy s LEU 186 N 3.50 1.21 0.00 -0.88 2.96 -1.25 -5.07 118.68 119.15 1smy s LEU 186 Ca 0.36 -1.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 1smy s LEU 186 Cb -0.12 -0.55 0.00 0.00 0.50 0.00 0.00 46.19 46.02 1smy s LEU 186 CO 0.21 -0.42 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1smy n GLY 187 N 5.09 0.51 0.00 7.98 0.00 -1.26 -3.94 105.19 113.56 1smy n GLY 187 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1smy n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smy n GLN 188 N 0.00 0.00 -2.41 1.61 10.64 -1.26 -4.84 117.38 121.12 1smy n GLN 188 Ca 0.00 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.93 1smy n GLN 188 Cb 0.00 0.00 0.08 0.00 -0.86 0.00 0.00 30.24 29.46 1smy n GLN 188 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1smy s ARG 189 N 0.00 2.03 -0.19 2.61 3.52 -1.25 -5.04 118.95 120.62 1smy s ARG 189 Ca 0.00 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1smy s ARG 189 Cb 0.00 -2.28 -0.13 0.00 -1.56 0.00 0.00 34.95 30.98 1smy s ARG 189 CO 0.00 -1.24 -0.16 2.41 -0.81 0.00 0.00 175.30 175.50 1smy n THR 190 N -2.80 1.10 -1.56 4.11 -1.04 -1.26 -3.86 114.28 108.97 1smy n THR 190 Ca 0.10 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 1smy n THR 190 Cb 0.60 -1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 67.88 1smy n THR 190 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1smy n ASP 191 N -3.03 1.64 -3.65 8.00 5.75 -1.26 -4.27 116.55 119.72 1smy n ASP 191 Ca -0.34 -1.58 -0.21 0.00 -0.01 0.00 0.00 54.79 52.65 1smy n ASP 191 Cb 0.87 -1.64 -0.17 0.00 -1.03 0.00 0.00 41.12 39.15 1smy n ASP 191 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1smy s LEU 192 N 14.70 0.15 0.08 -2.12 1.43 -1.26 -4.60 118.68 127.07 1smy s LEU 192 Ca 0.93 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.68 1smy s LEU 192 Cb -0.14 -0.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.91 1smy s LEU 192 CO 0.11 -0.27 1.17 -1.81 0.23 0.00 0.00 176.35 175.78 1smy s ASP 193 N 2.18 7.12 -0.61 2.29 1.11 -0.71 -1.30 116.67 126.75 1smy s ASP 193 Ca 0.04 2.01 0.04 0.00 0.18 0.00 0.00 52.55 54.83 1smy s ASP 193 Cb -0.13 -2.58 0.15 0.00 1.07 0.00 0.00 42.92 41.43 1smy s ASP 193 CO -0.05 -0.42 0.38 -0.75 1.18 0.00 0.00 175.17 175.51 1smy s LYS 194 N 0.83 2.15 0.33 8.23 2.20 -1.10 -1.83 119.74 130.54 1smy s LYS 194 Ca 0.57 -2.94 -0.28 0.00 -0.36 0.00 0.00 55.97 52.95 1smy s LYS 194 Cb -0.29 -3.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 1smy s LYS 194 CO 0.30 -1.21 1.23 -1.17 -0.36 0.00 0.00 175.35 174.13 1smy s LEU 195 N -0.84 4.43 -0.29 5.43 2.96 -1.19 -3.33 118.68 125.86 1smy s LEU 195 Ca 0.22 2.52 0.05 0.00 -0.22 0.00 0.00 54.13 56.69 1smy s LEU 195 Cb -0.14 -3.69 0.19 0.00 0.50 0.00 0.00 46.19 43.05 1smy s LEU 195 CO -0.09 -0.44 0.55 0.28 -1.32 0.00 0.00 176.35 175.33 1smy s THR 196 N -1.18 -0.92 -0.09 3.68 -1.32 -0.94 -1.56 115.64 113.31 1smy s THR 196 Ca 0.49 -0.06 -0.05 0.00 -1.21 0.00 0.00 61.69 60.86 1smy s THR 196 Cb -0.36 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1smy s THR 196 CO 0.47 -0.06 0.11 -1.48 -2.21 0.00 0.00 174.62 171.45 1smy s LEU 197 N 2.77 4.16 -0.22 9.08 2.34 -0.24 -2.51 118.68 134.05 1smy s LEU 197 Ca 0.10 0.35 -0.07 0.00 0.06 0.00 0.00 54.13 54.58 1smy s LEU 197 Cb -0.11 -2.09 -0.03 0.00 -0.56 0.00 0.00 46.19 43.41 1smy s LEU 197 CO -0.27 0.38 0.04 -0.13 -1.06 0.00 0.00 176.35 175.31 1smy s ARG 198 N -1.15 3.68 -0.05 1.48 0.52 0.15 -1.12 118.95 122.46 1smy s ARG 198 Ca 0.17 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1smy s ARG 198 Cb -0.12 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 1smy s ARG 198 CO 0.06 -0.07 -0.19 0.42 0.02 0.00 0.00 175.30 175.54 1smy s ILE 199 N 1.26 2.63 -0.01 1.52 1.01 0.07 -1.98 121.20 125.70 1smy s ILE 199 Ca 0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1smy s ILE 199 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1smy s ILE 199 CO 0.03 0.58 -0.15 0.26 0.00 0.00 0.00 174.94 175.65 1smy s TRP 200 N -0.47 2.66 -0.07 3.97 0.51 -1.00 -0.31 118.94 124.23 1smy s TRP 200 Ca 0.06 -0.19 -0.07 0.00 -2.12 0.00 0.00 56.10 53.78 1smy s TRP 200 Cb -0.12 -1.57 0.02 0.00 -0.81 0.00 0.00 33.47 31.00 1smy s TRP 200 CO 0.01 0.22 0.20 0.99 -0.51 0.00 0.00 176.95 177.86 1smy s THR 201 N -0.83 0.01 0.44 2.01 2.01 -0.23 -0.56 115.64 118.48 1smy s THR 201 Ca 0.13 -0.05 0.34 0.00 0.31 0.00 0.00 61.69 62.43 1smy s THR 201 Cb -0.11 -0.30 0.34 0.00 0.01 0.00 0.00 72.50 72.45 1smy s THR 201 CO 0.03 -0.02 2.03 -2.24 -0.69 0.00 0.00 174.62 173.73 1smy h ASP 202 N 5.72 0.00 0.00 3.53 -0.00 -1.09 -3.36 116.42 121.21 1smy h ASP 202 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 1smy h ASP 202 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1smy h ASP 202 CO 0.38 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.23 1smy n GLY 203 N -1.18 2.62 0.36 7.15 0.00 -1.26 -4.86 105.19 108.03 1smy n GLY 203 Ca -0.02 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1smy n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1smy h SER 204 N 2.00 -1.69 -4.53 1.61 0.87 -1.88 -3.42 113.55 106.52 1smy h SER 204 Ca 0.00 0.24 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 1smy h SER 204 Cb 0.00 0.72 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1smy h SER 204 CO 0.00 -0.25 -0.09 1.33 -0.53 0.00 0.00 176.83 177.28 1smy n VAL 205 N -4.88 0.00 -4.42 2.23 0.24 -1.26 -4.79 118.33 105.45 1smy n VAL 205 Ca -0.00 -0.85 -0.21 0.00 -2.04 0.00 0.00 64.34 61.24 1smy n VAL 205 Cb 0.24 -0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 1smy n VAL 205 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1smy s THR 206 N -0.96 2.10 0.08 3.34 -1.32 -1.26 -4.77 115.64 112.85 1smy s THR 206 Ca 0.14 -2.30 -0.25 0.00 -1.21 0.00 0.00 61.69 58.07 1smy s THR 206 Cb -0.01 -2.21 -0.10 0.00 -1.51 0.00 0.00 72.50 68.67 1smy s THR 206 CO 0.09 -0.47 1.40 -0.65 -2.21 0.00 0.00 174.62 172.78 1smy h PRO 207 N 2.39 -0.42 -0.68 7.08 0.11 -1.78 0.12 132.00 138.82 1smy h PRO 207 Ca -0.39 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.87 1smy h PRO 207 Cb 1.24 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.32 1smy h PRO 207 CO 0.62 -0.28 -0.26 1.25 -0.21 0.00 0.00 178.00 179.11 1smy h LEU 208 N -0.44 -0.94 0.21 2.35 7.12 -1.94 0.55 115.31 122.22 1smy h LEU 208 Ca 0.02 0.23 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1smy h LEU 208 Cb 0.50 0.53 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 1smy h LEU 208 CO -0.31 -0.27 -0.49 -0.33 -0.13 0.00 0.00 178.44 176.91 1smy h GLU 209 N -0.08 -0.74 -0.72 1.25 5.08 -1.78 -1.07 114.58 116.51 1smy h GLU 209 Ca 0.30 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.85 1smy h GLU 209 Cb 0.55 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 1smy h GLU 209 CO -0.73 -0.50 -0.24 0.00 -1.00 0.00 0.00 179.01 176.54 1smy h ALA 210 N -0.72 0.34 -0.12 3.43 0.00 0.51 0.33 119.26 123.03 1smy h ALA 210 Ca -0.02 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1smy h ALA 210 Cb 0.74 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1smy h ALA 210 CO -0.21 -0.49 -0.03 1.25 0.00 0.00 0.00 179.25 179.77 1smy h LEU 211 N -0.04 -0.11 -0.16 0.00 5.85 -0.53 0.17 115.31 120.48 1smy h LEU 211 Ca 0.33 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.13 1smy h LEU 211 Cb 0.55 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1smy h LEU 211 CO -0.76 -0.04 -0.20 0.78 -0.34 0.00 0.00 178.44 177.88 1smy h ASN 212 N 0.01 -0.62 -0.29 1.25 -0.26 0.26 -0.72 115.58 115.21 1smy h ASN 212 Ca 0.06 0.11 0.05 0.00 -0.56 0.00 0.00 56.30 55.96 1smy h ASN 212 Cb 0.09 0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 37.59 1smy h ASN 212 CO -0.12 -0.24 -0.00 1.56 -1.06 0.00 0.00 177.43 177.56 1smy h GLN 213 N -0.23 0.08 0.01 0.81 4.20 -0.60 -2.20 115.11 117.18 1smy h GLN 213 Ca 0.11 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1smy h GLN 213 Cb 0.40 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1smy h GLN 213 CO -0.30 0.05 -0.33 0.00 -0.67 0.00 0.00 178.83 177.58 1smy h ALA 214 N 1.25 -0.79 -0.88 3.87 0.00 0.13 -1.21 119.26 121.63 1smy h ALA 214 Ca 0.14 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.22 1smy h ALA 214 Cb 0.18 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1smy h ALA 214 CO -0.23 -0.88 0.61 -0.39 0.00 0.00 0.00 179.25 178.35 1smy h VAL 215 N -0.42 0.62 0.00 0.00 -1.51 -1.01 -0.73 116.25 113.20 1smy h VAL 215 Ca 0.01 -0.06 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1smy h VAL 215 Cb 0.45 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 1smy h VAL 215 CO -0.21 0.03 -0.00 -0.33 -1.23 0.00 0.00 177.57 175.83 1smy h GLU 216 N 0.18 -0.00 -1.01 5.19 4.39 -0.66 -1.02 114.58 121.65 1smy h GLU 216 Ca 0.44 0.00 0.24 0.00 0.34 0.00 0.00 59.36 60.38 1smy h GLU 216 Cb 1.43 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.96 1smy h GLU 216 CO -0.09 0.41 0.61 0.82 -1.16 0.00 0.00 179.01 179.60 1smy h ILE 217 N -0.41 0.56 0.48 3.13 2.04 -0.01 0.44 117.51 123.74 1smy h ILE 217 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1smy h ILE 217 Cb 0.41 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1smy h ILE 217 CO 0.00 0.10 -0.23 0.25 0.00 0.00 0.00 178.15 178.27 1smy h LEU 218 N 0.57 -0.55 -0.42 1.44 5.85 -1.25 -1.68 115.31 119.26 1smy h LEU 218 Ca 0.63 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.35 1smy h LEU 218 Cb 1.24 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 1smy h LEU 218 CO -0.43 -0.16 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.02 1smy h ARG 219 N -1.02 -0.29 -0.93 1.25 2.43 0.38 0.44 114.38 116.63 1smy h ARG 219 Ca -0.07 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.28 1smy h ARG 219 Cb 0.59 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.11 1smy h ARG 219 CO 0.11 -0.19 0.53 1.49 -1.51 0.00 0.00 179.97 180.40 1smy h GLU 220 N -0.30 0.71 -0.51 0.20 4.81 -0.27 0.86 114.58 120.09 1smy h GLU 220 Ca 0.15 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1smy h GLU 220 Cb 0.57 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1smy h GLU 220 CO -0.58 0.47 0.01 0.45 -0.73 0.00 0.00 179.01 178.63 1smy h HIS 221 N 0.73 0.96 -0.11 0.92 3.86 0.54 -2.11 115.15 119.96 1smy h HIS 221 Ca 0.52 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 1smy h HIS 221 Cb 0.73 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1smy h HIS 221 CO -0.04 0.90 0.11 -0.07 0.86 0.00 0.00 177.93 179.69 1smy h LEU 222 N 0.75 0.00 -1.50 2.43 -0.00 0.21 0.19 115.31 117.39 1smy h LEU 222 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.97 1smy h LEU 222 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1smy h LEU 222 CO 0.02 0.00 -0.25 0.74 -0.00 0.00 0.00 178.44 178.95 1smy h THR 223 N 0.00 0.95 0.00 0.22 2.02 -0.56 -2.54 112.91 113.00 1smy h THR 223 Ca 0.05 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1smy h THR 223 Cb 0.28 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1smy h THR 223 CO -0.00 0.25 0.00 -1.22 0.37 0.00 0.00 175.52 174.92 1smy n TYR 224 N -3.90 0.00 -0.96 3.16 4.01 0.67 -2.39 117.16 117.75 1smy n TYR 224 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1smy n TYR 224 Cb 0.34 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1smy n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1smy n PHE 225 N -1.38 1.44 -0.01 -0.72 3.01 -0.96 -4.56 117.46 114.27 1smy n PHE 225 Ca 0.01 -1.91 -0.01 0.00 1.01 0.00 0.00 57.45 56.54 1smy n PHE 225 Cb 0.02 -1.01 -0.00 0.00 -0.01 0.00 0.00 39.48 38.47 1smy n PHE 225 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1smy n SER 226 N 0.53 0.32 -4.51 4.37 7.64 -1.01 -4.91 113.62 116.05 1smy n SER 226 Ca 0.31 0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 1smy n SER 226 Cb 0.58 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 1smy n SER 226 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1smy s ASN 227 N -4.21 6.32 1.18 6.43 6.03 -1.26 -5.05 114.94 124.39 1smy s ASN 227 Ca -0.04 -0.44 -0.17 0.00 -1.03 0.00 0.00 52.86 51.19 1smy s ASN 227 Cb 0.01 -2.40 0.28 0.00 -3.03 0.00 0.00 41.25 36.10 1smy s ASN 227 CO 0.06 -1.13 1.05 -2.84 -2.03 0.00 0.00 177.10 172.22 1smy s PRO 228 N 3.61 -1.06 0.00 3.55 0.02 -1.26 -5.19 135.00 134.67 1smy s PRO 228 Ca 0.27 0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.60 1smy s PRO 228 Cb -0.14 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1smy s PRO 228 CO 0.18 -3.68 0.00 0.94 -0.33 0.00 0.00 177.00 174.11