#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s THR 5 N 0.00 4.59 0.16 9.51 -1.32 -1.26 -4.93 115.64 122.39 1s1i s THR 5 Ca 0.00 0.40 -0.13 0.00 -1.21 0.00 0.00 61.69 60.75 1s1i s THR 5 Cb 0.00 -3.79 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1s1i s THR 5 CO 0.00 -0.88 1.69 -1.28 -2.21 0.00 0.00 174.62 171.94 1s1i h SER 6 N -0.05 0.73 -0.68 8.08 0.87 -2.00 -2.00 113.55 118.51 1s1i h SER 6 Ca -0.46 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 59.88 1s1i h SER 6 Cb 1.21 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 1s1i h SER 6 CO 0.62 0.73 0.28 0.28 -0.53 0.00 0.00 176.83 178.21 1s1i h SER 7 N 0.70 0.93 -0.73 6.23 0.02 -1.99 -0.34 113.55 118.37 1s1i h SER 7 Ca 0.17 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1s1i h SER 7 Cb 0.24 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1s1i h SER 7 CO -0.01 0.84 0.23 1.56 -1.14 0.00 0.00 176.83 178.32 1s1i h GLN 8 N 0.97 1.14 -0.30 3.45 4.20 -1.88 -1.86 115.11 120.82 1s1i h GLN 8 Ca 0.23 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1s1i h GLN 8 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1s1i h GLN 8 CO -0.02 0.97 -0.34 -0.39 -0.67 0.00 0.00 178.83 178.38 1s1i h VAL 9 N 1.09 1.29 -0.95 -0.54 -1.51 -0.89 -2.36 116.25 112.36 1s1i h VAL 9 Ca 0.24 -1.48 0.01 0.00 -1.23 0.00 0.00 66.70 64.24 1s1i h VAL 9 Cb 0.30 1.42 -0.05 0.00 -2.13 0.00 0.00 31.29 30.83 1s1i h VAL 9 CO -0.01 0.48 0.63 0.03 -1.23 0.00 0.00 177.57 177.47 1s1i h ARG 10 N 0.56 1.24 -0.68 5.19 3.08 -0.37 0.42 114.38 123.82 1s1i h ARG 10 Ca 0.06 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1s1i h ARG 10 Cb 0.85 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1s1i h ARG 10 CO 0.07 0.82 0.16 0.93 -1.07 0.00 0.00 179.97 180.88 1s1i h GLU 11 N 1.28 1.09 0.07 0.04 4.39 -1.12 0.53 114.58 120.86 1s1i h GLU 11 Ca 0.35 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1s1i h GLU 11 Cb -0.13 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 1s1i h GLU 11 CO -0.08 0.97 -0.11 1.25 -1.16 0.00 0.00 179.01 179.88 1s1i h HIS 12 N 1.02 -0.28 -0.34 4.33 2.76 -0.74 0.24 115.15 122.15 1s1i h HIS 12 Ca 0.21 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1s1i h HIS 12 Cb 0.38 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1s1i h HIS 12 CO 0.03 -0.17 0.08 0.28 -1.30 0.00 0.00 177.93 176.85 1s1i h VAL 13 N -0.22 1.23 -0.41 5.26 2.07 -0.75 -0.44 116.25 122.98 1s1i h VAL 13 Ca 0.02 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1s1i h VAL 13 Cb 0.23 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1s1i h VAL 13 CO -0.06 0.26 0.16 0.11 0.02 0.00 0.00 177.57 178.06 1s1i h LYS 14 N 0.39 0.61 -0.62 1.57 1.57 -0.52 -1.79 116.57 117.77 1s1i h LYS 14 Ca 0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1s1i h LYS 14 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1s1i h LYS 14 CO 0.00 0.58 0.20 0.93 -0.57 0.00 0.00 179.45 180.59 1s1i h GLU 15 N 0.51 0.96 -0.75 3.15 5.08 -0.39 -2.56 114.58 120.58 1s1i h GLU 15 Ca 0.13 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s1i h GLU 15 Cb 0.20 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1s1i h GLU 15 CO -0.01 0.85 0.49 1.25 -1.00 0.00 0.00 179.01 180.59 1s1i h LEU 16 N 0.89 0.83 -0.57 1.33 5.85 -0.62 -0.96 115.31 122.06 1s1i h LEU 16 Ca 0.20 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1s1i h LEU 16 Cb 0.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1s1i h LEU 16 CO -0.01 0.59 0.13 -0.07 -0.34 0.00 0.00 178.44 178.74 1s1i h LEU 17 N 0.98 0.87 -0.58 2.25 3.38 -0.99 -2.61 115.31 118.61 1s1i h LEU 17 Ca 0.29 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1s1i h LEU 17 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1s1i h LEU 17 CO -0.08 0.88 0.08 0.11 0.09 0.00 0.00 178.44 179.53 1s1i h LYS 18 N 0.81 0.97 -0.61 1.13 1.79 -0.97 -2.96 116.57 116.74 1s1i h LYS 18 Ca 0.18 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1s1i h LYS 18 Cb 0.36 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1s1i h LYS 18 CO 0.00 0.93 0.15 1.88 -1.08 0.00 0.00 179.45 181.33 1s1i h TYR 19 N 0.87 0.98 -2.17 -1.35 0.05 -1.02 -3.42 116.97 110.91 1s1i h TYR 19 Ca 0.18 -0.10 -0.59 0.00 0.05 0.00 0.00 58.73 58.27 1s1i h TYR 19 Cb 0.44 -0.28 0.03 0.00 1.01 0.00 0.00 36.73 37.92 1s1i h TYR 19 CO 0.03 0.81 1.07 -1.13 -1.05 0.00 0.00 178.16 177.90 1s1i n SER 20 N -4.26 3.56 -0.29 3.88 3.41 -1.00 -4.85 113.62 114.07 1s1i n SER 20 Ca 0.04 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1s1i n SER 20 Cb 0.24 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 1s1i n SER 20 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s1i n ASN 21 N 6.12 0.00 0.00 4.04 3.02 -1.26 -4.81 115.26 122.37 1s1i n ASN 21 Ca 0.21 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1s1i n ASN 21 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1s1i n ASN 21 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s1i n GLU 22 N 0.00 0.00 -1.00 3.52 2.13 -1.26 -4.87 120.64 119.17 1s1i n GLU 22 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1s1i n GLU 22 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1s1i n GLU 22 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1s1i n THR 23 N 0.00 0.00 -0.30 6.31 5.66 -1.26 -5.02 114.28 119.67 1s1i n THR 23 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1s1i n THR 23 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 1s1i n THR 23 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1s1i h LYS 24 N 0.00 1.13 -1.68 1.09 5.09 -1.94 -3.45 116.57 116.81 1s1i h LYS 24 Ca 0.00 -0.12 0.07 0.00 0.09 0.00 0.00 60.65 60.69 1s1i h LYS 24 Cb 0.00 -0.23 -0.22 0.00 0.10 0.00 0.00 32.23 31.88 1s1i h LYS 24 CO 0.00 0.81 0.50 0.21 -2.09 0.00 0.00 179.45 178.88 1s1i s LYS 25 N -5.91 0.67 0.87 0.07 2.20 -1.26 -4.75 119.74 111.64 1s1i s LYS 25 Ca -0.13 0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.50 1s1i s LYS 25 Cb 0.16 0.31 0.12 0.00 -1.51 0.00 0.00 37.83 36.91 1s1i s LYS 25 CO 0.81 -0.22 1.12 1.03 -0.36 0.00 0.00 175.35 177.73 1s1i s ARG 26 N -1.30 1.38 0.22 4.03 1.81 -1.26 -4.88 118.95 118.95 1s1i s ARG 26 Ca -0.02 1.35 -0.07 0.00 -1.72 0.00 0.00 55.73 55.27 1s1i s ARG 26 Cb -0.00 -1.78 0.18 0.00 -0.45 0.00 0.00 34.95 32.89 1s1i s ARG 26 CO 0.02 -2.32 1.79 -0.91 -0.68 0.00 0.00 175.30 173.20 1s1i h ASN 27 N -1.63 1.09 -3.61 0.23 2.35 -2.02 -3.43 115.58 108.56 1s1i h ASN 27 Ca -0.44 -0.17 -0.50 0.00 -0.55 0.00 0.00 56.30 54.64 1s1i h ASN 27 Cb 1.26 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 1s1i h ASN 27 CO 0.46 0.96 0.06 0.72 -1.65 0.00 0.00 177.43 177.98 1s1i s PHE 28 N -5.55 3.45 -0.07 1.19 -0.71 -1.26 -5.01 117.98 110.02 1s1i s PHE 28 Ca -0.12 1.00 -0.30 0.00 -1.04 0.00 0.00 56.93 56.47 1s1i s PHE 28 Cb 0.16 -2.39 -0.02 0.00 -1.21 0.00 0.00 43.02 39.55 1s1i s PHE 28 CO 0.84 -0.01 1.05 -0.51 -1.34 0.00 0.00 175.22 175.25 1s1i s LEU 29 N -3.62 4.28 0.79 -1.99 1.43 -1.26 -5.02 118.68 113.29 1s1i s LEU 29 Ca 0.50 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1s1i s LEU 29 Cb -0.10 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1s1i s LEU 29 CO 0.29 -0.45 1.14 -1.61 0.23 0.00 0.00 176.35 175.94 1s1i s GLU 30 N 1.86 1.94 0.29 1.70 8.01 -1.26 -4.91 118.70 126.33 1s1i s GLU 30 Ca 0.51 -0.05 0.11 0.00 0.01 0.00 0.00 54.97 55.55 1s1i s GLU 30 Cb -0.21 -2.01 -0.05 0.00 -4.31 0.00 0.00 34.13 27.55 1s1i s GLU 30 CO 0.21 -1.55 -0.15 0.95 0.01 0.00 0.00 175.26 174.74 1s1i s THR 31 N -3.50 2.59 -0.16 3.63 -4.23 -1.26 -2.55 115.64 110.16 1s1i s THR 31 Ca 0.62 -2.29 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1s1i s THR 31 Cb -0.10 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1s1i s THR 31 CO 0.48 -0.36 0.07 0.54 -0.54 0.00 0.00 174.62 174.81 1s1i s VAL 32 N -2.50 4.86 0.01 2.29 0.11 -0.71 -1.09 120.40 123.37 1s1i s VAL 32 Ca 0.31 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1s1i s VAL 32 Cb -0.04 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1s1i s VAL 32 CO 0.16 0.50 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.66 1s1i s GLU 33 N 0.05 2.25 -0.11 1.54 0.41 0.10 -1.38 118.70 121.55 1s1i s GLU 33 Ca 0.06 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 1s1i s GLU 33 Cb -0.12 -2.28 -0.01 0.00 -1.78 0.00 0.00 34.13 29.94 1s1i s GLU 33 CO 0.01 0.57 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.99 1s1i s LEU 34 N -1.25 2.43 0.00 1.80 1.98 -0.17 -1.28 118.68 122.18 1s1i s LEU 34 Ca 0.14 -0.43 0.06 0.00 -2.89 0.00 0.00 54.13 51.01 1s1i s LEU 34 Cb -0.11 -1.52 -0.02 0.00 0.66 0.00 0.00 46.19 45.21 1s1i s LEU 34 CO 0.04 0.17 -0.20 -1.58 -1.89 0.00 0.00 176.35 172.89 1s1i s GLN 35 N 0.32 1.50 0.01 1.98 0.74 -0.24 -1.46 119.66 122.50 1s1i s GLN 35 Ca -0.14 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.50 1s1i s GLN 35 Cb -0.17 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.44 1s1i s GLN 35 CO 0.07 0.40 -0.02 0.08 -0.55 0.00 0.00 175.29 175.27 1s1i s VAL 36 N -0.57 0.15 0.04 1.34 1.01 -0.93 -0.15 120.40 121.29 1s1i s VAL 36 Ca 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1s1i s VAL 36 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1s1i s VAL 36 CO 0.00 -0.11 -0.04 -0.83 0.00 0.00 0.00 175.10 174.12 1s1i s GLY 37 N -0.45 1.83 0.18 4.51 0.00 -0.20 -2.08 107.32 111.11 1s1i s GLY 37 Ca -0.04 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.69 1s1i s GLY 37 CO -0.00 -0.98 -0.00 1.08 0.00 0.00 0.00 173.10 173.20 1s1i s LEU 38 N -1.80 3.30 0.08 0.66 1.43 -0.89 0.79 118.68 122.25 1s1i s LEU 38 Ca 0.20 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1s1i s LEU 38 Cb -0.11 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1s1i s LEU 38 CO 0.12 0.09 -0.08 -1.59 0.23 0.00 0.00 176.35 175.12 1s1i s LYS 39 N -2.96 0.72 -1.40 1.70 -2.85 -0.07 -4.69 119.74 110.19 1s1i s LYS 39 Ca 0.27 -1.08 -0.09 0.00 -1.00 0.00 0.00 55.97 54.07 1s1i s LYS 39 Cb -0.09 -0.29 0.04 0.00 -2.06 0.00 0.00 37.83 35.42 1s1i s LYS 39 CO 0.18 0.03 1.04 -1.71 0.10 0.00 0.00 175.35 174.99 1s1i n ASN 40 N 0.64 -4.74 -4.00 0.03 2.85 -1.26 -4.71 115.26 104.06 1s1i n ASN 40 Ca -0.17 -0.67 -0.19 0.00 -0.11 0.00 0.00 54.58 53.44 1s1i n ASN 40 Cb 0.58 -4.52 -0.15 0.00 1.24 0.00 0.00 39.78 36.93 1s1i n ASN 40 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1s1i s TYR 41 N -3.36 0.87 -0.26 1.20 1.13 -1.26 -5.08 117.35 110.59 1s1i s TYR 41 Ca 0.48 -0.19 -0.22 0.00 -1.41 0.00 0.00 57.07 55.73 1s1i s TYR 41 Cb -0.23 -0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1s1i s TYR 41 CO 0.78 -0.07 0.69 0.16 -2.51 0.00 0.00 175.55 174.60 1s1i s ASP 42 N 0.05 6.64 0.50 -0.18 -4.77 -1.26 -4.88 116.67 112.76 1s1i s ASP 42 Ca -0.01 0.76 0.33 0.00 -3.30 0.00 0.00 52.55 50.33 1s1i s ASP 42 Cb -0.07 -2.36 1.44 0.00 -1.09 0.00 0.00 42.92 40.84 1s1i s ASP 42 CO 0.00 -0.43 1.97 1.55 0.70 0.00 0.00 175.17 178.96 1s1i h PRO 43 N 7.88 0.00 -0.53 2.11 0.13 -1.75 -3.09 132.00 136.75 1s1i h PRO 43 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 1s1i h PRO 43 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1s1i h PRO 43 CO 0.81 0.00 -0.01 0.37 -0.23 0.00 0.00 178.00 178.94 1s1i h GLN 44 N 0.00 0.95 -7.82 0.86 4.15 -0.97 -3.42 115.11 108.86 1s1i h GLN 44 Ca 0.00 -0.31 -0.44 0.00 0.77 0.00 0.00 58.65 58.68 1s1i h GLN 44 Cb 0.38 -0.08 0.18 0.00 0.21 0.00 0.00 27.48 28.16 1s1i h GLN 44 CO 0.00 0.97 0.40 1.03 -1.93 0.00 0.00 178.83 179.29 1s1i s ARG 45 N -5.00 0.20 0.00 1.69 1.81 -1.17 -4.39 118.95 112.09 1s1i s ARG 45 Ca -0.12 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.42 1s1i s ARG 45 Cb 0.12 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.82 1s1i s ARG 45 CO 0.84 -2.70 1.18 -0.25 -0.68 0.00 0.00 175.30 173.69 1s1i n ASP 46 N -3.96 3.25 0.25 0.23 8.00 -1.26 -3.40 116.55 119.66 1s1i n ASP 46 Ca 0.16 -1.81 0.15 0.00 0.71 0.00 0.00 54.79 54.01 1s1i n ASP 46 Cb 0.59 -0.65 0.48 0.00 -0.02 0.00 0.00 41.12 41.52 1s1i n ASP 46 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1s1i h LYS 47 N 1.36 0.00 -7.07 -1.24 6.56 -1.84 -3.46 116.57 110.88 1s1i h LYS 47 Ca 0.00 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.07 1s1i h LYS 47 Cb 0.72 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.48 1s1i h LYS 47 CO 0.00 0.00 0.48 1.03 -2.06 0.00 0.00 179.45 178.90 1s1i s ARG 48 N -3.48 3.22 -0.13 3.15 0.52 -1.22 -4.99 118.95 116.02 1s1i s ARG 48 Ca 0.04 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.06 1s1i s ARG 48 Cb 0.07 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.47 1s1i s ARG 48 CO 0.59 -1.00 -0.15 0.12 0.02 0.00 0.00 175.30 174.88 1s1i s PHE 49 N -1.59 2.76 -0.12 -0.53 2.19 -1.26 -5.00 117.98 114.43 1s1i s PHE 49 Ca 0.73 -0.78 -0.02 0.00 0.33 0.00 0.00 56.93 57.20 1s1i s PHE 49 Cb -0.30 -1.83 0.04 0.00 -1.31 0.00 0.00 43.02 39.62 1s1i s PHE 49 CO 0.33 -0.29 0.00 -1.12 1.83 0.00 0.00 175.22 175.98 1s1i s SER 50 N 0.43 2.09 0.16 6.13 0.01 -1.24 -0.50 113.70 120.77 1s1i s SER 50 Ca -0.11 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 56.56 1s1i s SER 50 Cb -0.16 -0.54 0.06 0.00 0.21 0.00 0.00 66.02 65.59 1s1i s SER 50 CO 0.05 -0.22 0.74 -0.83 0.41 0.00 0.00 173.24 173.39 1s1i s GLY 51 N 1.91 -0.40 -0.07 3.44 0.00 -0.08 -4.01 107.32 108.12 1s1i s GLY 51 Ca 0.03 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1s1i s GLY 51 CO -0.06 0.11 -0.09 -0.45 0.00 0.00 0.00 173.10 172.61 1s1i s SER 52 N -2.77 4.50 0.00 1.64 0.15 -1.26 0.24 113.70 116.20 1s1i s SER 52 Ca 0.06 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1s1i s SER 52 Cb -0.02 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1s1i s SER 52 CO -0.05 0.35 0.00 0.18 1.20 0.00 0.00 173.24 174.92 1s1i n LEU 53 N 2.27 0.00 -1.27 3.45 4.77 -0.16 -4.97 117.00 121.09 1s1i n LEU 53 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1s1i n LEU 53 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1s1i n LEU 53 CO 0.27 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.50 1s1i n LYS 54 N -1.51 0.00 -2.82 3.23 3.00122.64 -1.92 118.16 240.77 1s1i n LYS 54 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1s1i n LYS 54 Cb 0.25 -0.42 -0.06 0.00 0.00 0.00 0.00 35.03 34.80 1s1i n LYS 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1s1i s LEU 55 N -0.02 4.45 0.48 3.14 1.02 68.44 3.24 118.68 199.43 1s1i s LEU 55 Ca 0.00 1.81 0.23 0.00 0.02 0.00 0.00 54.13 56.19 1s1i s LEU 55 Cb 0.00 -3.80 1.24 0.00 0.02 0.00 0.00 46.19 43.65 1s1i s LEU 55 CO 0.00 0.03 2.01 -0.65 0.02 0.00 0.00 176.35 177.76 1s1i h PRO 56 N 3.57 0.00 0.00 1.29 0.11 0.52 12.65 132.00 150.14 1s1i h PRO 56 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1s1i h PRO 56 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1s1i h PRO 56 CO 0.66 0.17 -0.52 0.09 -0.21 0.00 0.00 178.00 178.19 1s1i n ASN 57 N -3.82 1.64 -0.63 -2.05 3.02 -1.26 -3.30 115.26 108.86 1s1i n ASN 57 Ca -0.02 -3.49 0.08 0.00 -0.03 0.00 0.00 54.58 51.12 1s1i n ASN 57 Cb 0.27 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 1s1i n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1i h PRO 59 N -0.62 0.00 0.00 0.00 0.11 -1.84 -3.42 132.00 126.23 1s1i h PRO 59 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1s1i h PRO 59 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1s1i h PRO 59 CO 0.03 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.71 1s1i n ARG 60 N -2.50 0.00 0.00 1.05 -4.01 -1.26 -4.70 116.66 105.24 1s1i n ARG 60 Ca 0.04 0.00 0.14 0.00 -1.04 0.00 0.00 57.85 57.00 1s1i n ARG 60 Cb 0.41 0.00 0.62 0.00 -3.04 0.00 0.00 32.46 30.46 1s1i n ARG 60 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 1s1i n PRO 61 N 0.00 0.44 -3.01 2.89 -0.02 -1.26 -5.01 135.00 129.03 1s1i n PRO 61 Ca 0.00 -0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.34 1s1i n PRO 61 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1s1i n PRO 61 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s1i n ASN 62 N -1.19 -7.17 -4.62 2.55 5.15 -1.26 -4.79 115.26 103.93 1s1i n ASN 62 Ca 0.12 0.78 -0.48 0.00 -0.60 0.00 0.00 54.58 54.40 1s1i n ASN 62 Cb 0.28 -3.34 -0.04 0.00 -0.53 0.00 0.00 39.78 36.15 1s1i n ASN 62 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1s1i n MET 63 N 0.84 1.55 -2.95 1.20 0.00 -0.85 -4.95 117.12 111.95 1s1i n MET 63 Ca 0.00 0.55 -0.40 0.00 -0.00 0.00 0.00 57.70 57.86 1s1i n MET 63 Cb 0.31 -2.19 -0.06 0.00 0.00 0.00 0.00 33.22 31.29 1s1i n MET 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s1i s SER 64 N 0.41 7.41 0.05 6.12 0.01 -1.26 -4.68 113.70 121.75 1s1i s SER 64 Ca 0.77 1.66 0.07 0.00 1.31 0.00 0.00 55.95 59.76 1s1i s SER 64 Cb -0.81 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 62.89 1s1i s SER 64 CO 0.47 0.18 -0.19 -0.63 0.41 0.00 0.00 173.24 173.48 1s1i s ILE 65 N -1.04 1.55 0.11 1.44 1.01 -1.26 -1.50 121.20 121.51 1s1i s ILE 65 Ca 0.37 -1.20 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1s1i s ILE 65 Cb -0.23 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1s1i s ILE 65 CO 0.27 0.13 -0.26 0.00 0.00 0.00 0.00 174.94 175.07 1s1i s ILE 67 N -1.02 1.73 -0.22 0.00 2.07 -0.19 -1.20 121.20 122.36 1s1i s ILE 67 Ca 0.13 -0.83 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 1s1i s ILE 67 Cb -0.10 -1.51 -0.01 0.00 0.13 0.00 0.00 42.46 40.97 1s1i s ILE 67 CO 0.05 0.49 -0.03 0.12 -1.91 0.00 0.00 174.94 173.66 1s1i s PHE 68 N 0.39 2.97 -1.56 3.50 5.36 -0.04 0.76 117.98 129.36 1s1i s PHE 68 Ca -0.16 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 1s1i s PHE 68 Cb -0.17 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1s1i s PHE 68 CO 0.07 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 1s1i n GLY 69 N 4.81 -1.44 2.18 13.12 0.00 -0.63 -1.10 105.19 122.13 1s1i n GLY 69 Ca -0.18 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 1s1i n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1i n ASP 70 N 0.94 2.78 -3.83 1.61 8.00 -1.26 -3.51 116.55 121.28 1s1i n ASP 70 Ca 0.00 -2.31 -0.38 0.00 0.71 0.00 0.00 54.79 52.81 1s1i n ASP 70 Cb 0.00 0.19 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1s1i n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1i n ALA 71 N -2.06 -2.81 0.00 2.24 0.00 -1.26 -0.94 120.51 115.69 1s1i n ALA 71 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s1i n ALA 71 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1s1i n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s1i n PHE 72 N -0.83 0.00 -0.20 0.00 7.35 -1.26 -4.23 117.46 118.29 1s1i n PHE 72 Ca 0.10 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.75 1s1i n PHE 72 Cb 0.34 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.22 1s1i n PHE 72 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s1i h ASP 73 N 0.00 0.58 -0.38 -2.13 3.58 -1.69 0.47 116.42 116.86 1s1i h ASP 73 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1s1i h ASP 73 Cb 0.00 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1s1i h ASP 73 CO 0.00 0.41 -0.12 0.58 -2.88 0.00 0.00 179.24 177.24 1s1i h VAL 74 N 0.71 1.26 -0.35 2.25 2.07 -1.21 -1.62 116.25 119.35 1s1i h VAL 74 Ca 0.23 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1s1i h VAL 74 Cb 0.01 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1s1i h VAL 74 CO -0.09 0.41 0.05 -0.78 0.02 0.00 0.00 177.57 177.18 1s1i h ASP 75 N 0.75 0.57 -0.78 0.57 1.82 -1.42 -1.64 116.42 116.28 1s1i h ASP 75 Ca 0.12 -0.27 -0.05 0.00 -0.39 0.00 0.00 57.03 56.45 1s1i h ASP 75 Cb 0.62 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1s1i h ASP 75 CO 0.04 0.69 0.31 0.03 -1.61 0.00 0.00 179.24 178.71 1s1i h ARG 76 N 0.43 1.17 -0.65 0.28 2.47 0.05 -1.02 114.38 117.12 1s1i h ARG 76 Ca 0.11 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1s1i h ARG 76 Cb 0.37 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1s1i h ARG 76 CO 0.01 0.95 0.40 0.00 0.56 0.00 0.00 179.97 181.88 1s1i h ALA 77 N 1.16 0.82 -0.55 0.04 0.00 -1.03 -1.12 119.26 118.59 1s1i h ALA 77 Ca 0.26 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1s1i h ALA 77 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s1i h ALA 77 CO -0.02 0.29 0.03 0.87 0.00 0.00 0.00 179.25 180.43 1s1i h LYS 78 N 0.88 0.90 -0.81 0.00 1.57 -0.69 -0.82 116.57 117.60 1s1i h LYS 78 Ca 0.23 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1s1i h LYS 78 Cb -0.04 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1s1i h LYS 78 CO -0.04 0.88 0.39 0.77 -0.57 0.00 0.00 179.45 180.87 1s1i h SER 79 N 0.84 1.06 0.50 0.86 0.02 -0.34 -1.15 113.55 115.35 1s1i h SER 79 Ca 0.16 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1s1i h SER 79 Cb 0.45 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1s1i h SER 79 CO 0.02 0.89 -0.23 0.00 -1.14 0.00 0.00 176.83 176.37 1s1i n GLY 81 N -0.41 0.86 3.89 0.00 0.00 -0.42 -5.07 105.19 104.04 1s1i n GLY 81 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1s1i n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1i s VAL 82 N -2.00 4.81 0.34 1.61 -7.23 -0.56 -5.01 120.40 112.36 1s1i s VAL 82 Ca 0.00 0.54 -0.28 0.00 -1.81 0.00 0.00 61.98 60.43 1s1i s VAL 82 Cb 0.00 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.02 1s1i s VAL 82 CO 0.00 -0.83 1.18 1.51 -0.31 0.00 0.00 175.10 176.64 1s1i s ASP 83 N -3.83 6.86 -0.07 4.85 -4.77 -1.24 -4.47 116.67 113.99 1s1i s ASP 83 Ca 0.51 2.40 0.05 0.00 -3.30 0.00 0.00 52.55 52.22 1s1i s ASP 83 Cb -0.10 -2.63 -0.01 0.00 -1.09 0.00 0.00 42.92 39.09 1s1i s ASP 83 CO 0.43 -0.44 -0.24 0.00 0.70 0.00 0.00 175.17 175.61 1s1i s ALA 84 N -1.26 2.14 -0.24 2.11 0.00 -1.26 -1.02 121.76 122.22 1s1i s ALA 84 Ca 0.50 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1s1i s ALA 84 Cb -0.33 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1s1i s ALA 84 CO 0.43 0.36 -0.04 1.41 0.00 0.00 0.00 175.76 177.92 1s1i s MET 85 N 0.04 3.03 0.64 0.00 0.00 0.23 -4.93 119.30 118.31 1s1i s MET 85 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 55.69 54.65 1s1i s MET 85 Cb -0.15 -3.03 -0.01 0.00 0.00 0.00 0.00 34.83 31.65 1s1i s MET 85 CO 0.06 -0.34 1.02 -1.12 0.00 0.00 0.00 175.02 174.64 1s1i s SER 86 N 1.39 5.75 0.35 1.11 0.01 -1.26 -1.60 113.70 119.45 1s1i s SER 86 Ca 0.02 1.12 0.03 0.00 1.31 0.00 0.00 55.95 58.43 1s1i s SER 86 Cb -0.16 -2.06 0.64 0.00 0.21 0.00 0.00 66.02 64.66 1s1i s SER 86 CO -0.04 -1.10 1.99 1.62 0.41 0.00 0.00 173.24 176.12 1s1i h VAL 87 N -0.41 1.16 -0.38 3.43 3.04 -1.95 -1.75 116.25 119.39 1s1i h VAL 87 Ca -0.45 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1s1i h VAL 87 Cb 1.23 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1s1i h VAL 87 CO 0.63 0.17 -0.06 0.44 -1.01 0.00 0.00 177.57 177.73 1s1i h ASP 88 N 0.80 0.61 1.04 3.17 3.32 -1.92 -3.11 116.42 120.32 1s1i h ASP 88 Ca 0.21 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1s1i h ASP 88 Cb -0.04 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1s1i h ASP 88 CO -0.04 0.72 -0.09 -2.24 -1.72 0.00 0.00 179.24 175.87 1s1i h ASP 89 N 0.59 0.00 -0.24 6.45 3.04 -1.69 -3.35 116.42 121.22 1s1i h ASP 89 Ca 0.11 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.95 1s1i h ASP 89 Cb 0.47 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.71 1s1i h ASP 89 CO 0.02 0.09 -0.08 0.25 -2.04 0.00 0.00 179.24 177.49 1s1i h LEU 90 N 0.00 -0.28 -0.83 0.15 6.46 -1.58 0.11 115.31 119.34 1s1i h LEU 90 Ca -0.00 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1s1i h LEU 90 Cb 0.64 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1s1i h LEU 90 CO 0.01 -0.10 0.15 0.11 -0.62 0.00 0.00 178.44 177.99 1s1i h LYS 91 N -0.03 1.02 -0.79 1.25 6.56 -1.81 -1.82 116.57 120.95 1s1i h LYS 91 Ca 0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 1s1i h LYS 91 Cb 0.21 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.70 1s1i h LYS 91 CO -0.26 0.91 0.43 0.87 -2.06 0.00 0.00 179.45 179.34 1s1i h LYS 92 N 0.97 1.09 -0.36 3.15 1.79 -1.18 -2.13 116.57 119.91 1s1i h LYS 92 Ca 0.20 -0.13 -0.12 0.00 -2.18 0.00 0.00 60.65 58.43 1s1i h LYS 92 Cb 0.35 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1s1i h LYS 92 CO 0.00 0.81 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.85 1s1i h LEU 93 N 1.09 0.75 -1.15 2.94 3.38 -0.42 -1.86 115.31 120.04 1s1i h LEU 93 Ca 0.28 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1s1i h LEU 93 Cb 0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1s1i h LEU 93 CO -0.05 0.98 0.58 -1.13 0.09 0.00 0.00 178.44 178.92 1s1i h ASN 94 N 0.64 0.95 -0.36 -0.43 -0.00 -0.75 -1.81 115.58 113.82 1s1i h ASN 94 Ca 0.08 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.26 1s1i h ASN 94 Cb 0.77 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.86 1s1i h ASN 94 CO 0.06 0.65 -0.20 0.11 -0.00 0.00 0.00 177.43 178.05 1s1i h LYS 95 N 1.10 0.77 -4.40 6.67 1.79 -0.92 -3.39 116.57 118.19 1s1i h LYS 95 Ca 0.36 -0.35 -0.72 0.00 -2.18 0.00 0.00 60.65 57.76 1s1i h LYS 95 Cb 0.04 -0.02 -0.28 0.00 -1.58 0.00 0.00 32.23 30.40 1s1i h LYS 95 CO -0.11 0.97 -0.43 0.54 -1.08 0.00 0.00 179.45 179.34 1s1i s ASN 96 N -6.51 5.71 0.32 0.86 2.20 -0.68 -4.89 114.94 111.96 1s1i s ASN 96 Ca -0.12 -1.58 0.08 0.00 -0.94 0.00 0.00 52.86 50.30 1s1i s ASN 96 Cb 0.10 -2.01 0.54 0.00 -2.00 0.00 0.00 41.25 37.87 1s1i s ASN 96 CO 0.83 -0.59 1.75 0.11 -2.94 0.00 0.00 177.10 176.26 1s1i h LYS 97 N 8.46 0.19 -0.09 3.55 1.57 -1.77 -2.86 116.57 125.62 1s1i h LYS 97 Ca -0.23 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1s1i h LYS 97 Cb 1.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1s1i h LYS 97 CO 0.80 0.54 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.98 1s1i h LYS 98 N 0.16 0.01 -0.34 3.15 3.11 -1.90 0.89 116.57 121.66 1s1i h LYS 98 Ca 0.02 -0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.72 1s1i h LYS 98 Cb 0.74 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1s1i h LYS 98 CO 0.06 0.00 -0.32 -0.07 -2.81 0.00 0.00 179.45 176.31 1s1i h LEU 99 N 0.01 0.87 -0.83 5.20 -0.00 -1.90 -3.04 115.31 115.62 1s1i h LEU 99 Ca 0.04 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.88 57.45 1s1i h LEU 99 Cb 0.06 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.44 1s1i h LEU 99 CO -0.09 1.15 0.49 -0.29 -0.00 0.00 0.00 178.44 179.70 1s1i h ILE 100 N 0.59 1.23 -0.74 1.22 -0.00 -1.23 -0.60 117.51 117.98 1s1i h ILE 100 Ca 0.06 -0.52 0.01 0.00 -0.00 0.00 0.00 64.86 64.40 1s1i h ILE 100 Cb 0.90 0.08 -0.04 0.00 -0.00 0.00 0.00 36.82 37.77 1s1i h ILE 100 CO 0.08 0.25 0.49 0.11 -0.00 0.00 0.00 178.15 179.08 1s1i h LYS 101 N 1.14 0.98 -0.64 2.19 1.57 -0.80 -0.84 116.57 120.16 1s1i h LYS 101 Ca 0.30 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1s1i h LYS 101 Cb -0.03 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 1s1i h LYS 101 CO -0.05 0.65 0.23 0.87 -0.57 0.00 0.00 179.45 180.57 1s1i h LYS 102 N 1.01 0.98 -0.79 3.15 6.56 -1.06 -2.00 116.57 124.42 1s1i h LYS 102 Ca 0.27 -0.19 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 1s1i h LYS 102 Cb -0.12 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.36 1s1i h LYS 102 CO -0.06 0.84 0.30 1.25 -2.06 0.00 0.00 179.45 179.72 1s1i h LEU 103 N 0.91 1.10 -0.65 2.94 5.85 -0.31 -2.00 115.31 123.15 1s1i h LEU 103 Ca 0.21 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1s1i h LEU 103 Cb 0.25 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1s1i h LEU 103 CO -0.01 0.98 0.03 -1.28 -0.34 0.00 0.00 178.44 177.82 1s1i h SER 104 N 1.16 1.05 -0.32 1.25 0.87 -0.83 -2.94 113.55 113.79 1s1i h SER 104 Ca 0.26 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1s1i h SER 104 Cb 0.24 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1s1i h SER 104 CO -0.02 1.08 -0.19 0.07 -0.53 0.00 0.00 176.83 177.25 1s1i h LYS 105 N 0.99 0.79 -0.22 2.24 2.10 -0.93 -3.19 116.57 118.34 1s1i h LYS 105 Ca 0.18 -0.30 -0.10 0.00 -2.00 0.00 0.00 60.65 58.43 1s1i h LYS 105 Cb 0.53 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 1s1i h LYS 105 CO 0.03 0.91 -0.28 -0.22 -2.00 0.00 0.00 179.45 177.88 1s1i h LYS 106 N 0.69 0.44 -6.64 0.07 3.64 -1.21 -3.44 116.57 110.12 1s1i h LYS 106 Ca 0.10 -0.17 -0.69 0.00 -1.27 0.00 0.00 60.65 58.62 1s1i h LYS 106 Cb 0.69 -0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.25 1s1i h LYS 106 CO 0.05 0.69 -0.83 0.71 -2.27 0.00 0.00 179.45 177.80 1s1i s TYR 107 N -4.43 2.47 0.04 1.91 1.51 -1.14 -4.80 117.35 112.91 1s1i s TYR 107 Ca -0.06 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1s1i s TYR 107 Cb 0.14 -1.43 -0.26 0.00 -0.11 0.00 0.00 41.96 40.29 1s1i s TYR 107 CO 0.79 0.21 1.11 -0.97 -1.11 0.00 0.00 175.55 175.58 1s1i h ASN 108 N 4.60 0.78 -4.31 2.29 -0.73 -1.56 -3.47 115.58 113.19 1s1i h ASN 108 Ca -0.47 -0.80 -0.32 0.00 1.87 0.00 0.00 56.30 56.58 1s1i h ASN 108 Cb 1.15 -0.24 -0.17 0.00 0.27 0.00 0.00 38.32 39.33 1s1i h ASN 108 CO 0.46 1.49 -0.73 0.00 -0.37 0.00 0.00 177.43 178.28 1s1i s ALA 109 N -3.08 1.18 -0.00 1.57 0.00 -0.95 -0.13 121.76 120.34 1s1i s ALA 109 Ca -0.11 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1s1i s ALA 109 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1s1i s ALA 109 CO 0.90 -0.05 -0.13 -0.06 0.00 0.00 0.00 175.76 176.42 1s1i s PHE 110 N -2.59 1.19 -0.00 0.00 0.40 -1.26 -1.85 117.98 113.86 1s1i s PHE 110 Ca 0.07 -0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1s1i s PHE 110 Cb -0.02 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1s1i s PHE 110 CO 0.00 -0.01 -0.23 0.42 0.70 0.00 0.00 175.22 176.10 1s1i s ILE 111 N -0.38 1.83 0.03 0.64 1.01 -0.34 -1.60 121.20 122.39 1s1i s ILE 111 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1s1i s ILE 111 Cb -0.05 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1s1i s ILE 111 CO -0.00 0.46 -0.04 0.00 0.00 0.00 0.00 174.94 175.37 1s1i s ALA 112 N -0.60 0.21 0.29 9.38 0.00 0.32 -0.86 121.76 130.50 1s1i s ALA 112 Ca 0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1s1i s ALA 112 Cb -0.09 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 1s1i s ALA 112 CO -0.00 -0.16 1.49 -1.12 0.00 0.00 0.00 175.76 175.97 1s1i s SER 113 N -1.59 6.52 0.27 0.00 0.01 -0.26 -1.86 113.70 116.79 1s1i s SER 113 Ca -0.14 2.82 -0.03 0.00 1.31 0.00 0.00 55.95 59.91 1s1i s SER 113 Cb -0.09 -2.63 0.35 0.00 0.21 0.00 0.00 66.02 63.86 1s1i s SER 113 CO -0.01 -0.79 1.84 -0.33 0.41 0.00 0.00 173.24 174.36 1s1i h GLU 114 N 4.62 0.98 -0.29 12.44 5.08 -1.49 -1.90 114.58 134.03 1s1i h GLU 114 Ca -0.47 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 57.71 1s1i h GLU 114 Cb 1.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1s1i h GLU 114 CO 0.76 0.80 0.10 0.28 -1.00 0.00 0.00 179.01 179.95 1s1i h VAL 115 N 0.96 1.12 0.00 3.13 2.07 -1.89 -2.10 116.25 119.55 1s1i h VAL 115 Ca 0.23 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1s1i h VAL 115 Cb 0.18 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1s1i h VAL 115 CO -0.02 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.65 1s1i h LEU 116 N 0.41 0.00 -1.37 2.57 3.38 -1.71 -3.34 115.31 115.25 1s1i h LEU 116 Ca 0.10 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1s1i h LEU 116 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1s1i h LEU 116 CO -0.01 0.00 0.52 0.16 0.09 0.00 0.00 178.44 179.20 1s1i h ILE 117 N 0.00 0.91 -0.30 1.22 -0.00 -1.43 -1.57 117.51 116.33 1s1i h ILE 117 Ca 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 64.86 64.62 1s1i h ILE 117 Cb 0.33 0.17 -0.01 0.00 -0.00 0.00 0.00 36.82 37.31 1s1i h ILE 117 CO 0.00 0.12 0.15 0.11 -0.00 0.00 0.00 178.15 178.53 1s1i h LYS 118 N 0.68 0.44 -0.40 0.16 1.57 -1.82 -2.47 116.57 114.72 1s1i h LYS 118 Ca 0.38 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1s1i h LYS 118 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1s1i h LYS 118 CO -0.15 0.41 0.10 1.96 -0.57 0.00 0.00 179.45 181.20 1s1i h GLN 119 N 0.36 0.64 0.11 3.15 4.20 -1.61 -1.75 115.11 120.21 1s1i h GLN 119 Ca 0.10 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1s1i h GLN 119 Cb 0.11 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1s1i h GLN 119 CO -0.01 0.66 -0.05 -0.24 -0.67 0.00 0.00 178.83 178.52 1s1i h VAL 120 N 0.51 0.99 -0.21 -0.54 3.04 -1.25 -1.09 116.25 117.70 1s1i h VAL 120 Ca 0.13 -0.35 0.02 0.00 -1.01 0.00 0.00 66.70 65.48 1s1i h VAL 120 Cb 0.31 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1s1i h VAL 120 CO 0.00 0.09 0.14 -0.65 -1.01 0.00 0.00 177.57 176.14 1s1i h PRO 121 N -0.30 0.22 0.31 4.17 0.10 -1.41 0.70 132.00 135.78 1s1i h PRO 121 Ca -0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 66.00 66.06 1s1i h PRO 121 Cb 0.25 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.30 1s1i h PRO 121 CO 0.02 0.14 -0.15 0.00 0.10 0.00 0.00 178.00 178.12 1s1i h ARG 122 N 0.22 -0.41 0.01 1.05 2.47 -0.44 -2.45 114.38 114.84 1s1i h ARG 122 Ca 0.09 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1s1i h ARG 122 Cb 0.07 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1s1i h ARG 122 CO -0.02 -0.17 -0.00 -0.07 0.56 0.00 0.00 179.97 180.26 1s1i h LEU 123 N -0.57 -0.01 0.00 3.04 -0.00 -1.03 -3.41 115.31 113.33 1s1i h LEU 123 Ca -0.04 -0.71 -0.21 0.00 -0.00 0.00 0.00 57.88 56.91 1s1i h LEU 123 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1s1i h LEU 123 CO 0.07 0.83 -1.12 -0.07 -0.00 0.00 0.00 178.44 178.15 1s1i h LEU 124 N -0.97 0.00 -1.15 1.67 4.07 0.23 -3.41 115.31 115.74 1s1i h LEU 124 Ca -0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 1s1i h LEU 124 Cb 0.73 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.38 1s1i h LEU 124 CO 0.00 0.88 0.60 1.23 -1.08 0.00 0.00 178.44 180.08 1s1i h GLY 125 N 3.26 1.45 1.18 0.83 0.00 -0.88 -0.35 103.07 108.55 1s1i h GLY 125 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1s1i h GLY 125 CO 0.10 0.09 0.52 -2.55 0.00 0.00 0.00 176.54 174.70 1s1i h PRO 126 N 0.81 1.10 0.02 4.80 0.11 -1.79 0.41 132.00 137.45 1s1i h PRO 126 Ca 0.49 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 1s1i h PRO 126 Cb 0.68 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.55 1s1i h PRO 126 CO -0.25 0.75 -0.21 1.96 -0.21 0.00 0.00 178.00 180.04 1s1i h GLN 127 N 1.12 0.11 -0.36 1.05 1.08 -1.41 -3.38 115.11 113.32 1s1i h GLN 127 Ca 0.30 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 57.21 1s1i h GLN 127 Cb -0.08 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1s1i h GLN 127 CO -0.06 0.97 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.37 1s1i h LEU 128 N -0.68 0.94 -0.49 1.46 4.07 -1.18 -3.31 115.31 116.12 1s1i h LEU 128 Ca -0.03 -0.46 -0.02 0.00 0.08 0.00 0.00 57.88 57.45 1s1i h LEU 128 Cb 1.06 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.51 1s1i h LEU 128 CO 0.04 1.21 0.24 -1.28 -1.08 0.00 0.00 178.44 177.57 1s1i h SER 129 N 0.68 0.63 -0.90 -0.43 0.87 -1.11 -1.07 113.55 112.22 1s1i h SER 129 Ca 0.06 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1s1i h SER 129 Cb 0.94 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1s1i h SER 129 CO 0.09 0.58 0.51 0.07 -0.53 0.00 0.00 176.83 177.55 1s1i h LYS 130 N 0.65 1.25 -0.01 2.24 2.10 -1.73 -1.67 116.57 119.40 1s1i h LYS 130 Ca 0.17 -0.13 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 1s1i h LYS 130 Cb 0.10 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 1s1i h LYS 130 CO -0.02 0.90 -0.28 0.00 -2.00 0.00 0.00 179.45 178.05 1s1i h ALA 131 N 1.28 1.53 0.00 0.07 0.00 -1.52 -3.46 119.26 117.16 1s1i h ALA 131 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s1i h ALA 131 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s1i h ALA 131 CO -0.05 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1s1i n GLY 132 N -0.72 0.79 0.00 0.00 0.00 -0.63 -4.76 105.19 99.86 1s1i n GLY 132 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1s1i n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s1i n LYS 133 N -2.30 0.12 -1.59 1.61 4.01 -0.50 -0.60 118.16 118.91 1s1i n LYS 133 Ca 0.00 0.08 -0.46 0.00 -0.51 0.00 0.00 58.31 57.43 1s1i n LYS 133 Cb 0.00 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.00 1s1i n LYS 133 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1s1i n PHE 134 N -1.43 1.33 -1.35 2.13 7.35 -1.23 -4.51 117.46 119.75 1s1i n PHE 134 Ca 0.08 0.68 -0.31 0.00 -0.76 0.00 0.00 57.45 57.13 1s1i n PHE 134 Cb 0.25 -2.27 0.08 0.00 0.35 0.00 0.00 39.48 37.89 1s1i n PHE 134 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1s1i s PRO 135 N -1.11 2.37 -0.20 -7.13 0.02 -1.26 -3.93 135.00 123.76 1s1i s PRO 135 Ca 0.64 1.19 -0.09 0.00 0.02 0.00 0.00 61.00 62.76 1s1i s PRO 135 Cb -0.74 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 1s1i s PRO 135 CO 0.57 -1.56 0.11 0.95 -0.33 0.00 0.00 177.00 176.74 1s1i s THR 136 N -2.83 5.21 0.37 0.99 -4.23 -0.63 -4.81 115.64 109.71 1s1i s THR 136 Ca 0.62 0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 61.00 1s1i s THR 136 Cb -0.17 -3.37 -0.10 0.00 1.34 0.00 0.00 72.50 70.19 1s1i s THR 136 CO 0.54 0.44 0.96 -2.16 -0.54 0.00 0.00 174.62 173.86 1s1i s PRO 137 N 0.40 4.41 0.02 3.99 0.04 -1.26 -0.52 135.00 142.08 1s1i s PRO 137 Ca 0.06 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1s1i s PRO 137 Cb -0.12 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1s1i s PRO 137 CO -0.01 0.12 0.00 0.14 0.04 0.00 0.00 177.00 177.29 1s1i s VAL 138 N -1.78 0.12 0.73 -0.36 -7.23 -0.78 -4.89 120.40 106.21 1s1i s VAL 138 Ca 0.55 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 1s1i s VAL 138 Cb -0.17 -0.45 0.04 0.00 0.56 0.00 0.00 36.38 36.37 1s1i s VAL 138 CO 0.21 -0.53 1.17 -0.94 -0.31 0.00 0.00 175.10 174.70 1s1i s SER 139 N -1.63 4.34 0.31 4.85 1.04 -1.26 -1.26 113.70 120.08 1s1i s SER 139 Ca -0.13 2.23 -0.01 0.00 0.48 0.00 0.00 55.95 58.52 1s1i s SER 139 Cb -0.07 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 63.94 1s1i s SER 139 CO -0.02 -2.16 1.96 -0.74 0.98 0.00 0.00 173.24 173.26 1s1i h HIS 140 N -0.36 0.97 -1.27 5.02 2.76 -1.95 -1.91 115.15 118.40 1s1i h HIS 140 Ca -0.47 0.01 -0.67 0.00 -2.20 0.00 0.00 60.37 57.04 1s1i h HIS 140 Cb 1.28 -0.32 -0.33 0.00 1.55 0.00 0.00 27.41 29.59 1s1i h HIS 140 CO 0.50 0.64 0.39 0.27 -1.30 0.00 0.00 177.93 178.42 1s1i n ASN 141 N -4.40 6.75 -4.95 3.26 6.94 -1.26 -4.37 115.26 117.24 1s1i n ASN 141 Ca 0.08 -3.79 -0.24 0.00 -0.02 0.00 0.00 54.58 50.61 1s1i n ASN 141 Cb 0.06 -0.81 0.04 0.00 -2.36 0.00 0.00 39.78 36.70 1s1i n ASN 141 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1s1i s ASP 142 N -2.20 5.33 -0.36 0.53 2.15 -0.72 -5.05 116.67 116.37 1s1i s ASP 142 Ca 0.57 0.33 -0.12 0.00 0.43 0.00 0.00 52.55 53.75 1s1i s ASP 142 Cb 0.46 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.84 1s1i s ASP 142 CO -0.13 -1.16 0.23 1.51 -0.17 0.00 0.00 175.17 175.45 1s1i s ASP 143 N -4.38 5.89 0.36 -0.34 -4.77 -1.26 -4.92 116.67 107.25 1s1i s ASP 143 Ca 0.56 -0.68 0.19 0.00 -3.30 0.00 0.00 52.55 49.31 1s1i s ASP 143 Cb -0.10 -2.09 0.58 0.00 -1.09 0.00 0.00 42.92 40.21 1s1i s ASP 143 CO 0.41 -0.31 1.68 -0.07 0.70 0.00 0.00 175.17 177.59 1s1i h LEU 144 N 8.48 0.00 -0.46 2.11 4.07 -1.97 -3.38 115.31 124.16 1s1i h LEU 144 Ca -0.29 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.72 1s1i h LEU 144 Cb 1.13 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.83 1s1i h LEU 144 CO 0.66 0.38 0.19 0.22 -1.08 0.00 0.00 178.44 178.82 1s1i h TYR 145 N 0.00 0.35 -0.64 1.13 3.20 -1.97 0.18 116.97 119.22 1s1i h TYR 145 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1s1i h TYR 145 Cb 0.99 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1s1i h TYR 145 CO 0.00 0.15 0.33 0.78 -1.64 0.00 0.00 178.16 177.78 1s1i h GLY 146 N 0.39 0.96 0.97 1.82 0.00 -2.00 -0.47 103.07 104.74 1s1i h GLY 146 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1s1i h GLY 146 CO -0.19 0.43 0.06 0.50 0.00 0.00 0.00 176.54 177.34 1s1i h LYS 147 N 0.87 0.78 -0.80 4.80 1.79 -1.52 -1.80 116.57 120.70 1s1i h LYS 147 Ca 0.22 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1s1i h LYS 147 Cb 0.07 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 1s1i h LYS 147 CO -0.03 0.81 0.41 0.28 -1.08 0.00 0.00 179.45 179.83 1s1i h VAL 148 N 0.65 1.24 -0.22 0.50 2.07 -0.25 0.27 116.25 120.51 1s1i h VAL 148 Ca 0.14 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1s1i h VAL 148 Cb 0.41 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1s1i h VAL 148 CO 0.01 0.28 0.13 0.74 0.02 0.00 0.00 177.57 178.75 1s1i h THR 149 N 1.12 1.10 -0.31 2.57 2.02 -0.73 -2.18 112.91 116.49 1s1i h THR 149 Ca 0.28 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1s1i h THR 149 Cb 0.08 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1s1i h THR 149 CO -0.04 0.09 0.05 -0.78 0.37 0.00 0.00 175.52 175.21 1s1i h ASP 150 N 0.25 0.50 0.16 4.18 1.82 -0.82 -2.86 116.42 119.65 1s1i h ASP 150 Ca 0.08 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 1s1i h ASP 150 Cb 0.04 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1s1i h ASP 150 CO -0.01 0.63 -0.13 -0.37 -1.61 0.00 0.00 179.24 177.75 1s1i h VAL 151 N 0.34 0.99 -0.97 2.25 -1.51 -0.82 -1.61 116.25 114.92 1s1i h VAL 151 Ca 0.09 -0.45 0.06 0.00 -1.23 0.00 0.00 66.70 65.18 1s1i h VAL 151 Cb 0.35 1.25 -0.06 0.00 -2.13 0.00 0.00 31.29 30.70 1s1i h VAL 151 CO 0.01 0.12 0.63 -0.09 -1.23 0.00 0.00 177.57 177.01 1s1i h ARG 152 N 0.00 1.10 -1.94 5.19 2.43 -1.15 -2.37 114.38 117.64 1s1i h ARG 152 Ca -0.00 -0.07 -0.63 0.00 -0.81 0.00 0.00 59.98 58.48 1s1i h ARG 152 Cb 0.24 -0.25 -0.39 0.00 -0.42 0.00 0.00 29.97 29.15 1s1i h ARG 152 CO 0.02 0.73 -0.37 0.43 -1.51 0.00 0.00 179.97 179.26 1s1i n SER 153 N -4.49 5.12 -4.02 -3.80 7.64 -0.61 -2.01 113.62 111.45 1s1i n SER 153 Ca 0.15 -3.72 -0.33 0.00 1.01 0.00 0.00 58.87 55.98 1s1i n SER 153 Cb 0.18 -0.62 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1s1i n SER 153 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s1i s THR 154 N -4.96 2.97 0.00 0.44 -4.23 2.02 0.61 115.64 112.50 1s1i s THR 154 Ca 0.48 -2.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.07 1s1i s THR 154 Cb 0.34 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1s1i s THR 154 CO -0.19 -0.78 0.00 -0.38 -0.54 0.00 0.00 174.62 172.73 1s1i n ILE 155 N 3.56 0.00 -4.46 2.99 2.08 -0.81 0.39 119.36 123.11 1s1i n ILE 155 Ca 0.05 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 63.02 1s1i n ILE 155 Cb 0.36 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 39.14 1s1i n ILE 155 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1s1i s LYS 156 N 0.00 3.38 -0.32 0.38 -0.14 3.96 0.27 119.74 127.26 1s1i s LYS 156 Ca 0.00 -0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 53.99 1s1i s LYS 156 Cb 0.00 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 1s1i s LYS 156 CO 0.00 0.39 0.18 0.12 -0.76 0.00 0.00 175.35 175.28 1s1i s PHE 157 N -0.06 3.20 -0.22 3.18 2.19 99.62 2.78 117.98 228.68 1s1i s PHE 157 Ca 0.01 -0.52 -0.03 0.00 0.33 0.00 0.00 56.93 56.72 1s1i s PHE 157 Cb -0.13 -2.39 0.07 0.00 -1.31 0.00 0.00 43.02 39.25 1s1i s PHE 157 CO 0.03 -0.45 0.05 -1.14 1.83 0.00 0.00 175.22 175.53 1s1i s GLN 158 N 1.63 0.63 0.09 10.12 0.74 2.64 3.51 119.66 139.02 1s1i s GLN 158 Ca 0.05 -0.51 -0.15 0.00 0.05 0.00 0.00 55.36 54.79 1s1i s GLN 158 Cb -0.17 -2.04 -0.11 0.00 1.10 0.00 0.00 33.01 31.79 1s1i s GLN 158 CO 0.07 -0.71 1.38 1.25 -0.55 0.00 0.00 175.29 176.73 1s1i h LEU 159 N 8.24 0.75 0.00 3.68 5.85 0.98 6.25 115.31 141.06 1s1i h LEU 159 Ca -0.16 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1s1i h LEU 159 Cb 1.10 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1s1i h LEU 159 CO 0.36 1.12 0.00 0.29 -0.34 0.00 0.00 178.44 179.87 1s1i n LYS 160 N -4.23 0.00 0.24 1.25 5.02 -0.42 -3.34 118.16 116.67 1s1i n LYS 160 Ca -0.05 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1s1i n LYS 160 Cb 0.52 0.00 0.51 0.00 -0.02 0.00 0.00 35.03 36.04 1s1i n LYS 160 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1s1i h LYS 161 N 0.00 0.00 -7.17 1.97 -0.00 -0.86 -3.43 116.57 107.07 1s1i h LYS 161 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 60.65 60.14 1s1i h LYS 161 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 32.23 32.34 1s1i h LYS 161 CO 0.00 0.17 0.39 0.08 -0.00 0.00 0.00 179.45 180.09 1s1i s VAL 162 N -3.67 3.05 0.12 0.07 1.01 -0.56 -4.55 120.40 115.86 1s1i s VAL 162 Ca 0.01 0.53 0.32 0.00 0.00 0.00 0.00 61.98 62.83 1s1i s VAL 162 Cb 0.10 -3.07 0.36 0.00 0.00 0.00 0.00 36.38 33.76 1s1i s VAL 162 CO 0.62 -0.26 1.96 -0.07 0.00 0.00 0.00 175.10 177.34 1s1i h LEU 163 N 0.22 0.00 0.00 3.92 3.38 -1.87 -3.46 115.31 117.50 1s1i h LEU 163 Ca -0.48 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 1s1i h LEU 163 Cb 1.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1s1i h LEU 163 CO 0.54 0.05 -0.33 0.00 0.09 0.00 0.00 178.44 178.78 1s1i s LEU 165 N 0.00 0.83 -0.04 0.00 0.05 -0.88 -4.60 118.68 114.04 1s1i s LEU 165 Ca 0.24 0.32 0.02 0.00 0.05 0.00 0.00 54.13 54.76 1s1i s LEU 165 Cb -0.02 1.19 0.01 0.00 -2.05 0.00 0.00 46.19 45.32 1s1i s LEU 165 CO 0.15 -0.30 -0.09 0.00 -0.55 0.00 0.00 176.35 175.56 1s1i s ALA 166 N -0.69 0.92 0.06 1.48 0.00 -1.26 -2.19 121.76 120.07 1s1i s ALA 166 Ca -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1s1i s ALA 166 Cb -0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1s1i s ALA 166 CO 0.03 0.10 -0.07 0.08 0.00 0.00 0.00 175.76 175.90 1s1i s VAL 167 N 0.47 0.52 -0.26 0.00 1.01 -0.54 -3.95 120.40 117.65 1s1i s VAL 167 Ca -0.08 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.37 1s1i s VAL 167 Cb -0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1s1i s VAL 167 CO 0.01 -0.58 0.46 0.00 0.00 0.00 0.00 175.10 174.99 1s1i s ALA 168 N -2.22 3.58 -0.15 5.51 0.00 -1.26 -1.00 121.76 126.21 1s1i s ALA 168 Ca -0.03 -0.69 0.20 0.00 0.00 0.00 0.00 51.96 51.44 1s1i s ALA 168 Cb -0.04 -2.82 -0.15 0.00 0.00 0.00 0.00 23.12 20.12 1s1i s ALA 168 CO -0.02 -0.71 0.75 1.33 0.00 0.00 0.00 175.76 177.12 1s1i n VAL 169 N 5.14 0.71 -3.20 0.00 0.24 -0.48 -4.91 118.33 115.83 1s1i n VAL 169 Ca -0.06 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1s1i n VAL 169 Cb 0.50 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1s1i n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s1i n GLY 170 N 1.31 -0.53 3.44 7.63 0.00 -1.23 -4.82 105.19 110.99 1s1i n GLY 170 Ca -0.07 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1s1i n GLY 170 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s1i s ASN 171 N -4.00 2.24 0.41 1.61 2.47 -1.26 -1.74 114.94 114.67 1s1i s ASN 171 Ca 0.00 -1.41 0.17 0.00 0.42 0.00 0.00 52.86 52.04 1s1i s ASN 171 Cb 0.00 0.01 0.88 0.00 -1.45 0.00 0.00 41.25 40.69 1s1i s ASN 171 CO 0.00 -0.66 1.87 1.62 -3.72 0.00 0.00 177.10 176.21 1s1i h VAL 172 N 2.12 1.05 -0.41 -5.21 3.04 -1.84 -3.08 116.25 111.92 1s1i h VAL 172 Ca -0.40 -1.12 -0.07 0.00 -1.01 0.00 0.00 66.70 64.09 1s1i h VAL 172 Cb 1.25 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.14 1s1i h VAL 172 CO 0.67 0.30 -0.05 -0.08 -1.01 0.00 0.00 177.57 177.40 1s1i h GLU 173 N 0.00 0.69 -7.47 4.17 4.81 -1.96 -3.45 114.58 111.37 1s1i h GLU 173 Ca -0.00 -0.19 -0.49 0.00 -0.13 0.00 0.00 59.36 58.54 1s1i h GLU 173 Cb 0.61 -0.08 0.09 0.00 0.63 0.00 0.00 28.75 30.00 1s1i h GLU 173 CO 0.04 0.74 0.40 -1.64 -0.73 0.00 0.00 179.01 177.82 1s1i s MET 174 N -4.88 2.62 0.60 1.92 -1.94 -1.17 -5.04 119.30 111.41 1s1i s MET 174 Ca -0.09 0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 54.26 1s1i s MET 174 Cb 0.15 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 1s1i s MET 174 CO 0.80 -1.21 1.01 -1.21 -0.01 0.00 0.00 175.02 174.40 1s1i s GLU 175 N -5.32 3.64 0.35 2.03 0.41 -1.26 -4.92 118.70 113.62 1s1i s GLU 175 Ca 0.59 0.75 0.05 0.00 -0.41 0.00 0.00 54.97 55.95 1s1i s GLU 175 Cb -0.12 -2.10 0.65 0.00 -1.78 0.00 0.00 34.13 30.78 1s1i s GLU 175 CO 0.52 -0.51 1.90 1.05 -0.49 0.00 0.00 175.26 177.72 1s1i h GLU 176 N -0.13 0.48 -0.64 1.61 4.11 -1.96 -1.72 114.58 116.33 1s1i h GLU 176 Ca -0.44 -0.10 -0.04 0.00 0.07 0.00 0.00 59.36 58.85 1s1i h GLU 176 Cb 1.19 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1s1i h GLU 176 CO 0.62 0.51 0.24 -0.44 0.07 0.00 0.00 179.01 180.01 1s1i h ASP 177 N 0.47 0.88 -0.45 3.06 3.32 -1.98 -1.88 116.42 119.85 1s1i h ASP 177 Ca 0.10 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1s1i h ASP 177 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1s1i h ASP 177 CO 0.01 0.82 -0.18 -0.37 -1.72 0.00 0.00 179.24 177.80 1s1i h VAL 178 N 0.90 1.27 -0.83 -1.35 -1.51 -1.72 -1.78 116.25 111.23 1s1i h VAL 178 Ca 0.21 -1.32 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 1s1i h VAL 178 Cb 0.22 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 1s1i h VAL 178 CO -0.02 0.46 0.39 0.25 -1.23 0.00 0.00 177.57 177.42 1s1i h LEU 179 N 0.83 1.09 -0.85 4.19 7.12 -1.06 -1.33 115.31 125.29 1s1i h LEU 179 Ca 0.12 -0.14 -0.07 0.00 0.13 0.00 0.00 57.88 57.92 1s1i h LEU 179 Cb 0.73 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1s1i h LEU 179 CO 0.06 0.92 0.06 0.58 -0.13 0.00 0.00 178.44 179.92 1s1i h VAL 180 N 1.18 1.25 -0.61 1.05 2.07 -1.08 -1.09 116.25 119.01 1s1i h VAL 180 Ca 0.28 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1s1i h VAL 180 Cb 0.12 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1s1i h VAL 180 CO -0.03 0.36 0.05 -1.13 0.02 0.00 0.00 177.57 176.84 1s1i h ASN 181 N 0.86 0.98 -0.52 0.57 -0.73 -0.39 -1.33 115.58 115.02 1s1i h ASN 181 Ca 0.17 -0.25 -0.10 0.00 1.87 0.00 0.00 56.30 57.99 1s1i h ASN 181 Cb 0.43 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 1s1i h ASN 181 CO 0.01 1.01 -0.07 1.56 -0.37 0.00 0.00 177.43 179.57 1s1i h GLN 182 N 0.95 0.96 -0.67 6.67 4.20 -0.95 -2.50 115.11 123.77 1s1i h GLN 182 Ca 0.18 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1s1i h GLN 182 Cb 0.47 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1s1i h GLN 182 CO 0.02 1.01 0.34 0.82 -0.67 0.00 0.00 178.83 180.35 1s1i h ILE 183 N 0.83 1.21 -0.75 2.54 2.04 -0.85 -1.65 117.51 120.88 1s1i h ILE 183 Ca 0.14 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1s1i h ILE 183 Cb 0.62 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1s1i h ILE 183 CO 0.04 0.24 0.23 -0.07 0.00 0.00 0.00 178.15 178.60 1s1i h LEU 184 N 0.94 1.09 -0.96 1.44 3.38 -0.89 -0.66 115.31 119.65 1s1i h LEU 184 Ca 0.24 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1s1i h LEU 184 Cb 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1s1i h LEU 184 CO -0.03 1.01 0.23 0.24 0.09 0.00 0.00 178.44 179.97 1s1i h MET 185 N 1.12 0.98 -0.29 1.13 2.86 -0.89 0.68 114.93 120.51 1s1i h MET 185 Ca 0.24 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1s1i h MET 185 Cb 0.31 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1s1i h MET 185 CO -0.01 0.82 0.09 1.03 1.06 0.00 0.00 176.91 179.90 1s1i h SER 186 N 0.95 0.43 -0.35 1.22 0.87 -0.98 -2.89 113.55 112.80 1s1i h SER 186 Ca 0.22 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1s1i h SER 186 Cb 0.24 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1s1i h SER 186 CO -0.01 0.53 0.18 0.58 -0.53 0.00 0.00 176.83 177.58 1s1i h VAL 187 N 0.31 1.13 -0.76 2.23 2.07 -0.36 -1.78 116.25 119.09 1s1i h VAL 187 Ca 0.09 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1s1i h VAL 187 Cb 0.26 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1s1i h VAL 187 CO -0.00 0.15 0.49 -1.13 0.02 0.00 0.00 177.57 177.10 1s1i h ASN 188 N 0.54 0.89 -0.42 0.57 -1.24 -0.67 -1.55 115.58 113.69 1s1i h ASN 188 Ca 0.14 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1s1i h ASN 188 Cb 0.06 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 1s1i h ASN 188 CO -0.02 0.65 0.19 -0.26 -1.29 0.00 0.00 177.43 176.70 1s1i h PHE 189 N 1.04 0.62 -0.75 0.67 -1.00 -1.30 -1.87 116.94 114.34 1s1i h PHE 189 Ca 0.28 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.98 1s1i h PHE 189 Cb -0.10 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.24 1s1i h PHE 189 CO 0.00 0.52 0.31 0.35 -1.61 0.00 0.00 178.31 177.89 1s1i h PHE 190 N 0.53 1.13 -0.89 -0.55 3.57 -1.44 -0.89 116.94 118.40 1s1i h PHE 190 Ca 0.14 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1s1i h PHE 190 Cb 0.15 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 1s1i h PHE 190 CO -0.01 0.85 0.57 0.28 -2.23 0.00 0.00 178.31 177.78 1s1i h VAL 191 N 1.07 1.11 -0.24 1.41 2.07 -0.85 -1.79 116.25 119.04 1s1i h VAL 191 Ca 0.25 -0.37 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1s1i h VAL 191 Cb 0.19 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1s1i h VAL 191 CO -0.02 0.20 -0.56 -1.28 0.02 0.00 0.00 177.57 175.92 1s1i h SER 192 N 1.08 0.81 -0.06 0.57 0.87 -0.58 -3.36 113.55 112.88 1s1i h SER 192 Ca 0.37 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1s1i h SER 192 Cb 0.06 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1s1i h SER 192 CO -0.14 1.20 0.01 -0.07 -0.53 0.00 0.00 176.83 177.31 1s1i h LEU 193 N 0.56 0.10 -9.73 2.23 4.07 -0.28 -3.44 115.31 108.82 1s1i h LEU 193 Ca 0.01 -0.26 -0.60 0.00 0.08 0.00 0.00 57.88 57.12 1s1i h LEU 193 Cb 1.14 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.78 1s1i h LEU 193 CO 0.12 0.33 -0.58 -0.22 -1.08 0.00 0.00 178.44 177.01 1s1i s LEU 194 N -9.67 3.82 0.23 1.67 2.96 -1.16 -4.98 118.68 111.56 1s1i s LEU 194 Ca -0.14 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1s1i s LEU 194 Cb 0.05 -2.46 0.23 0.00 0.50 0.00 0.00 46.19 44.51 1s1i s LEU 194 CO 0.68 0.11 1.82 0.50 -1.32 0.00 0.00 176.35 178.14 1s1i h LYS 195 N 2.74 1.15 -0.46 1.98 3.11 -1.86 -0.95 116.57 122.27 1s1i h LYS 195 Ca -0.47 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.16 1s1i h LYS 195 Cb 1.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 1s1i h LYS 195 CO 0.64 0.91 0.18 -0.22 -2.81 0.00 0.00 179.45 178.15 1s1i h LYS 196 N 1.13 0.66 0.00 1.90 1.63 -1.93 -3.48 116.57 116.48 1s1i h LYS 196 Ca 0.27 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1s1i h LYS 196 Cb 0.17 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1s1i h LYS 196 CO -0.03 0.55 0.00 0.09 -3.45 0.00 0.00 179.45 176.61 1s1i n ASN 197 N -4.36 0.00 0.26 4.20 5.03 -0.36 -3.34 115.26 116.69 1s1i n ASN 197 Ca 0.03 0.00 0.18 0.00 0.87 0.00 0.00 54.58 55.66 1s1i n ASN 197 Cb 0.15 0.00 0.90 0.00 -1.02 0.00 0.00 39.78 39.81 1s1i n ASN 197 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 1s1i h TRP 198 N 0.00 0.00 -0.38 3.10 5.08 -1.82 -2.08 115.95 119.84 1s1i h TRP 198 Ca 0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 1s1i h TRP 198 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1s1i h TRP 198 CO 0.00 0.00 0.29 1.96 -1.28 0.00 0.00 178.44 179.41 1s1i h GLN 199 N 0.00 0.00 0.00 0.12 4.20 -1.96 0.12 115.11 117.59 1s1i h GLN 199 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1s1i h GLN 199 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1s1i h GLN 199 CO 0.00 0.00 -0.19 -0.91 -0.67 0.00 0.00 178.83 177.06 1s1i h ASN 200 N 0.00 0.00 -2.40 1.46 2.35 -1.62 -3.43 115.58 111.94 1s1i h ASN 200 Ca 0.18 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.37 1s1i h ASN 200 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1s1i h ASN 200 CO -0.00 0.19 1.29 0.68 -1.65 0.00 0.00 177.43 177.94 1s1i s VAL 201 N -4.62 3.28 -0.04 2.81 -7.23 0.40 -0.89 120.40 114.10 1s1i s VAL 201 Ca -0.04 0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 60.18 1s1i s VAL 201 Cb 0.16 -3.30 -0.21 0.00 0.56 0.00 0.00 36.38 33.59 1s1i s VAL 201 CO 0.70 -0.14 1.17 1.23 -0.31 0.00 0.00 175.10 177.75 1s1i h GLY 202 N 12.78 -0.03 -4.12 2.32 0.00 0.11 -3.47 103.07 110.67 1s1i h GLY 202 Ca -0.40 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1s1i h GLY 202 CO 0.98 -0.01 -0.11 -0.56 0.00 0.00 0.00 176.54 176.83 1s1i s SER 203 N -5.73 -0.32 0.06 0.19 0.01 -1.18 -4.96 113.70 101.75 1s1i s SER 203 Ca -0.16 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.35 1s1i s SER 203 Cb 0.01 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1s1i s SER 203 CO 0.66 -0.56 -0.19 -0.76 0.41 0.00 0.00 173.24 172.80 1s1i s LEU 204 N -1.55 2.20 0.04 2.44 2.01 -1.26 -1.04 118.68 121.53 1s1i s LEU 204 Ca -0.10 -0.55 -0.06 0.00 0.01 0.00 0.00 54.13 53.43 1s1i s LEU 204 Cb -0.02 -0.82 -0.01 0.00 0.01 0.00 0.00 46.19 45.34 1s1i s LEU 204 CO 0.03 0.09 0.12 -0.69 1.01 0.00 0.00 176.35 176.91 1s1i s VAL 205 N -0.92 0.13 0.16 -1.59 1.01 0.79 -1.02 120.40 118.97 1s1i s VAL 205 Ca 0.05 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1s1i s VAL 205 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1s1i s VAL 205 CO 0.02 -0.60 -0.20 0.68 0.00 0.00 0.00 175.10 175.00 1s1i s VAL 206 N -2.76 1.93 -0.15 2.92 -7.23 -0.56 -1.08 120.40 113.47 1s1i s VAL 206 Ca -0.04 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 1s1i s VAL 206 Cb -0.00 -1.87 0.11 0.00 0.56 0.00 0.00 36.38 35.17 1s1i s VAL 206 CO -0.05 -0.24 0.88 -1.59 -0.31 0.00 0.00 175.10 173.80 1s1i s LYS 207 N -2.65 0.74 0.80 4.82 -2.85 -0.40 -1.12 119.74 119.08 1s1i s LYS 207 Ca 0.16 0.29 -0.09 0.00 -1.00 0.00 0.00 55.97 55.33 1s1i s LYS 207 Cb -0.07 0.35 0.12 0.00 -2.06 0.00 0.00 37.83 36.18 1s1i s LYS 207 CO 0.07 -0.21 1.12 -1.12 0.10 0.00 0.00 175.35 175.31 1s1i s SER 208 N -0.88 4.15 0.06 0.03 0.01 -1.26 0.02 113.70 115.83 1s1i s SER 208 Ca -0.04 0.23 -0.36 0.00 1.31 0.00 0.00 55.95 57.09 1s1i s SER 208 Cb -0.01 -0.61 -0.19 0.00 0.21 0.00 0.00 66.02 65.41 1s1i s SER 208 CO 0.03 -2.03 1.54 0.28 0.41 0.00 0.00 173.24 173.47 1s1i h SER 209 N -0.94 -1.16 0.46 2.44 0.02 -1.44 -3.13 113.55 109.80 1s1i h SER 209 Ca -0.43 0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.42 1s1i h SER 209 Cb 1.28 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 1s1i h SER 209 CO 0.49 -0.77 -0.68 0.24 -1.14 0.00 0.00 176.83 174.97 1s1i h MET 210 N -1.25 0.20 -7.37 3.45 2.86 -1.94 -3.47 114.93 107.41 1s1i h MET 210 Ca -0.12 -0.16 -0.51 0.00 -2.06 0.00 0.00 59.70 56.86 1s1i h MET 210 Cb 0.98 0.03 0.08 0.00 0.06 0.00 0.00 31.60 32.74 1s1i h MET 210 CO 0.16 0.80 0.40 0.20 1.06 0.00 0.00 176.91 179.54 1s1i s GLY 211 N -4.40 1.66 0.58 8.32 0.00 -1.19 -4.89 107.32 107.41 1s1i s GLY 211 Ca -0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 1s1i s GLY 211 CO 0.80 0.23 1.04 2.56 0.00 0.00 0.00 173.10 177.73 1s1i s PRO 212 N -5.16 3.42 0.33 2.90 0.04 -1.26 -4.08 135.00 131.19 1s1i s PRO 212 Ca 0.57 1.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 1s1i s PRO 212 Cb -0.12 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1s1i s PRO 212 CO 0.54 -0.72 0.99 0.00 0.04 0.00 0.00 177.00 177.85 1s1i s ALA 213 N -2.49 3.22 -0.04 8.56 0.00 -1.26 -4.49 121.76 125.25 1s1i s ALA 213 Ca 0.63 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1s1i s ALA 213 Cb -0.15 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1s1i s ALA 213 CO 0.36 0.03 -0.19 -0.06 0.00 0.00 0.00 175.76 175.90 1s1i s PHE 214 N -1.50 1.90 0.38 0.00 0.40 -0.27 -4.95 117.98 113.93 1s1i s PHE 214 Ca 0.50 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 1s1i s PHE 214 Cb -0.22 -1.26 -0.09 0.00 0.51 0.00 0.00 43.02 41.95 1s1i s PHE 214 CO 0.28 -0.17 1.01 -0.98 0.70 0.00 0.00 175.22 176.07 1s1i s ARG 215 N -0.05 4.30 0.00 0.44 3.03 -1.26 -1.50 118.95 123.90 1s1i s ARG 215 Ca -0.03 1.44 0.00 0.00 2.03 0.00 0.00 55.73 59.17 1s1i s ARG 215 Cb -0.12 -2.60 0.00 0.00 -1.03 0.00 0.00 34.95 31.21 1s1i s ARG 215 CO 0.02 -0.01 0.45 -0.11 -1.13 0.00 0.00 175.30 174.52