#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2a s GLU 2 N 0.00 0.09 -0.08 0.00 2.56 -1.26 -5.18 118.70 114.83 2o2a s GLU 2 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.97 55.32 2o2a s GLU 2 Cb 0.00 -0.82 0.02 0.00 2.00 0.00 0.00 34.13 35.33 2o2a s GLU 2 CO 0.00 -0.48 -0.05 0.08 -0.56 0.00 0.00 175.26 174.25 2o2a s VAL 3 N 2.28 0.73 -0.42 3.70 1.01 -1.26 0.66 120.40 127.10 2o2a s VAL 3 Ca 0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2o2a s VAL 3 Cb -0.14 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2o2a s VAL 3 CO -0.08 0.30 0.53 -0.63 0.00 0.00 0.00 175.10 175.21 2o2a s ILE 4 N 1.42 4.98 -0.08 2.22 1.01 -0.87 -4.94 121.20 124.93 2o2a s ILE 4 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2o2a s ILE 4 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2o2a s ILE 4 CO -0.03 -0.46 0.18 -0.13 0.00 0.00 0.00 174.94 174.49 2o2a s ARG 5 N 2.43 3.49 0.84 2.79 0.52 -1.26 -1.55 118.95 126.21 2o2a s ARG 5 Ca 0.17 -0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 2o2a s ARG 5 Cb -0.16 -3.17 0.18 0.00 0.52 0.00 0.00 34.95 32.33 2o2a s ARG 5 CO 0.16 0.75 1.14 0.39 0.02 0.00 0.00 175.30 177.75 2o2a n GLU 6 N 1.74 -0.67 -1.92 3.54 1.02 -1.26 -5.02 120.64 118.06 2o2a n GLU 6 Ca -0.17 -2.37 -0.41 0.00 -0.02 0.00 0.00 57.16 54.18 2o2a n GLU 6 Cb 0.54 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 2o2a n GLU 6 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2o2a s GLN 7 N -5.45 4.21 0.41 3.49 0.74 -1.26 -4.96 119.66 116.84 2o2a s GLN 7 Ca 0.70 2.41 -0.27 0.00 0.05 0.00 0.00 55.36 58.25 2o2a s GLN 7 Cb -0.03 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 2o2a s GLN 7 CO 0.48 -0.50 1.41 -1.21 -0.55 0.00 0.00 175.29 174.92 2o2a s GLU 8 N -0.44 3.94 -0.23 1.67 8.01 -1.26 -4.79 118.70 125.60 2o2a s GLU 8 Ca 0.61 2.40 -0.00 0.00 0.01 0.00 0.00 54.97 57.98 2o2a s GLU 8 Cb -0.44 -2.82 0.03 0.00 -4.31 0.00 0.00 34.13 26.59 2o2a s GLU 8 CO 0.45 -0.60 -0.10 0.12 0.01 0.00 0.00 175.26 175.14 2o2a s PHE 9 N -1.18 3.04 -0.70 1.61 5.36 0.14 -4.99 117.98 121.26 2o2a s PHE 9 Ca 0.56 -1.73 -0.24 0.00 -0.96 0.00 0.00 56.93 54.56 2o2a s PHE 9 Cb -0.43 -2.00 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 2o2a s PHE 9 CO 0.57 -0.78 1.09 0.08 -1.46 0.00 0.00 175.22 174.72 2o2a s VAL 10 N 1.27 4.09 0.11 3.12 1.01 -1.26 -0.59 120.40 128.16 2o2a s VAL 10 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2o2a s VAL 10 Cb -0.16 -4.78 -0.06 0.00 0.00 0.00 0.00 36.38 31.37 2o2a s VAL 10 CO -0.07 -1.62 1.45 0.78 0.00 0.00 0.00 175.10 175.65 2o2a h ASN 11 N 9.74 0.82 -3.48 3.32 2.35 -1.61 -3.46 115.58 123.27 2o2a h ASN 11 Ca -0.27 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 54.99 2o2a h ASN 11 Cb 1.06 -0.23 -0.22 0.00 0.05 0.00 0.00 38.32 38.98 2o2a h ASN 11 CO 1.22 1.11 0.00 -1.58 -1.65 0.00 0.00 177.43 176.53 2o2a s GLN 12 N -4.43 0.70 -0.13 0.81 0.74 -1.05 -4.93 119.66 111.36 2o2a s GLN 12 Ca -0.12 1.03 -0.04 0.00 0.05 0.00 0.00 55.36 56.28 2o2a s GLN 12 Cb 0.10 0.23 0.05 0.00 1.10 0.00 0.00 33.01 34.49 2o2a s GLN 12 CO 0.84 -0.12 0.10 -0.47 -0.55 0.00 0.00 175.29 175.09 2o2a s TYR 13 N 1.02 0.08 -0.11 1.67 6.14 -1.26 -1.52 117.35 123.36 2o2a s TYR 13 Ca -0.05 -0.03 0.03 0.00 0.64 0.00 0.00 57.07 57.65 2o2a s TYR 13 Cb -0.05 -0.57 0.01 0.00 0.42 0.00 0.00 41.96 41.77 2o2a s TYR 13 CO -0.10 -0.42 -0.21 -1.01 0.64 0.00 0.00 175.55 174.45 2o2a s HIS 14 N 2.18 2.46 -0.13 4.97 3.76 0.20 -4.99 115.29 123.74 2o2a s HIS 14 Ca 0.03 -1.12 -0.01 0.00 -0.15 0.00 0.00 55.06 53.82 2o2a s HIS 14 Cb -0.15 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2o2a s HIS 14 CO -0.07 -0.49 -0.12 -0.47 -0.85 0.00 0.00 174.74 172.73 2o2a s TYR 15 N 0.62 2.84 -0.01 1.40 6.14 -1.26 -0.39 117.35 126.68 2o2a s TYR 15 Ca -0.13 -0.60 0.00 0.00 0.64 0.00 0.00 57.07 56.99 2o2a s TYR 15 Cb -0.17 -1.86 0.01 0.00 0.42 0.00 0.00 41.96 40.37 2o2a s TYR 15 CO 0.03 -0.19 -0.00 -0.51 0.64 0.00 0.00 175.55 175.52 2o2a s ASP 16 N 0.34 0.26 0.52 4.32 1.11 -0.43 -5.03 116.67 117.78 2o2a s ASP 16 Ca -0.10 -0.02 -0.22 0.00 0.18 0.00 0.00 52.55 52.39 2o2a s ASP 16 Cb -0.16 -0.10 -0.06 0.00 1.07 0.00 0.00 42.92 43.68 2o2a s ASP 16 CO 0.05 -0.04 1.35 0.00 1.18 0.00 0.00 175.17 177.71 2o2a s ALA 17 N 0.50 2.89 0.29 5.23 0.00 -1.26 -0.43 121.76 128.99 2o2a s ALA 17 Ca -0.05 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2o2a s ALA 17 Cb -0.07 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 2o2a s ALA 17 CO -0.01 -1.29 1.44 0.50 0.00 0.00 0.00 175.76 176.40 2o2a s ARG 18 N -2.82 4.24 -0.25 0.00 6.06 -1.02 -4.69 118.95 120.48 2o2a s ARG 18 Ca 0.69 2.36 -0.02 0.00 -2.50 0.00 0.00 55.73 56.27 2o2a s ARG 18 Cb -0.40 -3.07 0.08 0.00 0.06 0.00 0.00 34.95 31.62 2o2a s ARG 18 CO 0.48 -0.42 0.06 1.21 -2.50 0.00 0.00 175.30 174.13 2o2a s ASN 19 N 0.13 3.48 0.05 -2.12 3.84 -1.26 -4.98 114.94 114.08 2o2a s ASN 19 Ca 0.57 -1.20 -0.12 0.00 0.21 0.00 0.00 52.86 52.31 2o2a s ASN 19 Cb -0.43 -0.75 -0.31 0.00 -0.55 0.00 0.00 41.25 39.21 2o2a s ASN 19 CO 0.49 -0.35 1.07 -0.07 -2.79 0.00 0.00 177.10 175.45 2o2a h LEU 20 N 8.16 0.75 0.12 3.21 3.38 -2.00 -2.98 115.31 125.96 2o2a h LEU 20 Ca -0.16 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.04 2o2a h LEU 20 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2o2a h LEU 20 CO 0.40 1.59 -0.06 1.05 0.09 0.00 0.00 178.44 181.51 2o2a h GLU 21 N 0.17 -0.16 -0.84 1.13 9.09 -1.98 -2.41 114.58 119.57 2o2a h GLU 21 Ca -0.21 0.01 0.21 0.00 0.05 0.00 0.00 59.36 59.43 2o2a h GLU 21 Cb 2.04 0.04 -0.13 0.00 -1.65 0.00 0.00 28.75 29.04 2o2a h GLU 21 CO 0.25 -0.10 0.24 -1.49 0.05 0.00 0.00 179.01 177.96 2o2a h TRP 22 N -0.17 0.36 -0.22 2.06 4.06 -2.00 -0.48 115.95 119.57 2o2a h TRP 22 Ca -0.02 0.05 -0.14 0.00 2.06 0.00 0.00 58.89 60.84 2o2a h TRP 22 Cb 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 2o2a h TRP 22 CO -0.07 -0.16 -0.46 0.93 -3.56 0.00 0.00 178.44 175.13 2o2a h GLU 23 N 0.25 0.56 0.00 0.49 5.08 -1.39 -0.67 114.58 118.90 2o2a h GLU 23 Ca 0.52 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2o2a h GLU 23 Cb 0.99 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2o2a h GLU 23 CO -0.60 0.90 0.00 -0.85 -1.00 0.00 0.00 179.01 177.46 2o2a n GLU 24 N -4.00 0.49 -0.09 2.33 0.28 -0.22 0.39 120.64 119.82 2o2a n GLU 24 Ca -0.02 0.04 -0.09 0.00 -0.16 0.00 0.00 57.16 56.93 2o2a n GLU 24 Cb 0.55 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 2o2a n GLU 24 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2o2a n GLU 25 N -1.10 0.51 0.00 3.44 0.00 -1.01 -4.71 120.64 117.78 2o2a n GLU 25 Ca 0.13 0.32 0.13 0.00 0.00 0.00 0.00 57.16 57.73 2o2a n GLU 25 Cb 0.09 -1.52 0.37 0.00 0.00 0.00 0.00 31.44 30.38 2o2a n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2o2a n ASN 26 N -4.50 0.64 0.00 4.31 5.03 -0.29 -5.06 115.26 115.39 2o2a n ASN 26 Ca -0.14 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.85 2o2a n ASN 26 Cb 0.46 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 2o2a n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2o2a n GLY 27 N 1.42 1.26 3.70 7.41 0.00 1.25 -4.98 105.19 115.24 2o2a n GLY 27 Ca 0.09 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2o2a n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o2a s THR 28 N -2.95 4.87 0.79 2.61 2.01 -1.25 -4.56 115.64 117.16 2o2a s THR 28 Ca 0.00 1.91 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 2o2a s THR 28 Cb 0.00 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.33 2o2a s THR 28 CO 0.00 0.11 1.11 -2.16 -0.69 0.00 0.00 174.62 172.99 2o2a s PRO 29 N 1.45 2.01 0.02 4.92 0.04 -1.26 -5.08 135.00 137.09 2o2a s PRO 29 Ca 0.47 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2o2a s PRO 29 Cb -0.19 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2o2a s PRO 29 CO 0.21 -1.85 -0.18 0.15 0.04 0.00 0.00 177.00 175.37 2o2a s LYS 30 N -4.73 1.27 0.13 4.56 -0.14 -1.26 -4.97 119.74 114.60 2o2a s LYS 30 Ca 0.64 -0.75 -0.31 0.00 -1.36 0.00 0.00 55.97 54.18 2o2a s LYS 30 Cb -0.19 -1.30 -0.10 0.00 -1.68 0.00 0.00 37.83 34.56 2o2a s LYS 30 CO 0.55 0.34 1.70 0.99 -0.76 0.00 0.00 175.35 178.17 2o2a s THR 31 N -0.64 2.64 -0.26 2.17 2.01 -1.26 -4.76 115.64 115.55 2o2a s THR 31 Ca 0.06 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.09 2o2a s THR 31 Cb -0.08 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.33 2o2a s THR 31 CO 0.01 0.01 0.68 0.21 -0.69 0.00 0.00 174.62 174.83 2o2a s ASN 32 N 2.06 -0.71 -0.06 3.53 2.47 0.47 -4.99 114.94 117.70 2o2a s ASN 32 Ca 0.75 1.37 0.03 0.00 0.42 0.00 0.00 52.86 55.43 2o2a s ASN 32 Cb -0.44 1.39 0.01 0.00 -1.45 0.00 0.00 41.25 40.76 2o2a s ASN 32 CO 0.33 -0.24 -0.14 -0.36 -3.72 0.00 0.00 177.10 172.98 2o2a s PHE 33 N 0.38 1.55 -0.09 0.43 0.40 -1.26 -0.49 117.98 118.91 2o2a s PHE 33 Ca -0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 2o2a s PHE 33 Cb -0.05 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.39 2o2a s PHE 33 CO 0.01 -0.27 -0.08 -2.00 0.70 0.00 0.00 175.22 173.58 2o2a s GLU 34 N 0.55 1.37 -0.10 0.44 2.56 0.03 -5.00 118.70 118.56 2o2a s GLU 34 Ca -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 54.97 54.63 2o2a s GLU 34 Cb -0.15 -1.37 -0.01 0.00 2.00 0.00 0.00 34.13 34.60 2o2a s GLU 34 CO 0.04 -0.17 -0.21 0.08 -0.56 0.00 0.00 175.26 174.44 2o2a s VAL 35 N 1.35 2.37 0.15 3.70 1.01 -1.26 -0.80 120.40 126.93 2o2a s VAL 35 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2o2a s VAL 35 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2o2a s VAL 35 CO -0.04 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 175.94 2o2a s THR 36 N 0.17 1.15 -0.11 3.92 -4.23 -0.16 -4.98 115.64 111.42 2o2a s THR 36 Ca -0.12 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2o2a s THR 36 Cb -0.16 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.85 2o2a s THR 36 CO 0.07 -0.74 -0.10 -0.36 -0.54 0.00 0.00 174.62 172.94 2o2a s PHE 37 N -3.34 1.59 -0.15 3.99 0.08 -1.26 -0.97 117.98 117.93 2o2a s PHE 37 Ca 0.17 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 2o2a s PHE 37 Cb 0.03 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2o2a s PHE 37 CO 0.00 -0.47 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.46 2o2a s GLN 38 N 1.38 3.63 0.01 0.44 0.74 0.21 -4.74 119.66 121.33 2o2a s GLN 38 Ca -0.00 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 2o2a s GLN 38 Cb -0.13 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 2o2a s GLN 38 CO -0.05 0.24 1.21 -0.51 -0.55 0.00 0.00 175.29 175.63 2o2a s LEU 39 N 0.35 4.33 -0.16 3.68 2.01 -1.26 -0.59 118.68 127.04 2o2a s LEU 39 Ca -0.05 1.94 -0.05 0.00 0.01 0.00 0.00 54.13 55.97 2o2a s LEU 39 Cb -0.14 -3.57 -0.08 0.00 0.01 0.00 0.00 46.19 42.41 2o2a s LEU 39 CO 0.03 -0.53 -0.19 0.00 1.01 0.00 0.00 176.35 176.68 2o2a n ALA 40 N 4.52 1.87 -2.97 4.21 0.00 0.37 -4.90 120.51 123.62 2o2a n ALA 40 Ca 0.10 -0.64 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 2o2a n ALA 40 Cb 0.46 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 2o2a n ALA 40 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2o2a s ASN 41 N -6.15 -0.09 -0.02 0.00 0.01 -1.15 -5.01 114.94 102.54 2o2a s ASN 41 Ca -0.22 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 2o2a s ASN 41 Cb 0.08 0.34 -0.00 0.00 0.41 0.00 0.00 41.25 42.07 2o2a s ASN 41 CO 0.30 -0.61 -0.11 -0.13 -1.51 0.00 0.00 177.10 175.05 2o2a s ARG 42 N -2.58 0.98 -0.40 -0.60 0.52 -1.26 -0.43 118.95 115.17 2o2a s ARG 42 Ca -0.05 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2o2a s ARG 42 Cb -0.01 -0.93 0.12 0.00 0.52 0.00 0.00 34.95 34.65 2o2a s ARG 42 CO -0.04 0.20 0.16 0.34 0.02 0.00 0.00 175.30 175.99 2o2a s ASP 43 N -0.11 4.17 0.43 0.23 -1.08 0.08 -4.99 116.67 115.40 2o2a s ASP 43 Ca 0.02 -2.38 0.23 0.00 -0.52 0.00 0.00 52.55 49.90 2o2a s ASP 43 Cb -0.06 -1.29 0.87 0.00 -1.46 0.00 0.00 42.92 40.99 2o2a s ASP 43 CO -0.00 -0.32 1.81 -0.33 0.52 0.00 0.00 175.17 176.85 2o2a h GLU 44 N 7.20 0.00 0.03 4.34 5.08 -1.96 0.79 114.58 130.07 2o2a h GLU 44 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2o2a h GLU 44 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2o2a h GLU 44 CO 0.54 0.25 -0.01 0.00 -1.00 0.00 0.00 179.01 178.78 2o2a h ALA 45 N 1.75 -0.04 0.00 3.43 0.00 -1.96 -3.19 119.26 119.25 2o2a h ALA 45 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2o2a h ALA 45 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2o2a h ALA 45 CO 0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 179.25 178.88 2o2a n ALA 46 N -2.36 2.58 -3.53 0.00 0.00 -1.18 -4.97 120.51 111.05 2o2a n ALA 46 Ca -0.08 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2o2a n ALA 46 Cb 0.25 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.36 2o2a n ALA 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2o2a n LYS 47 N -1.62 -2.76 -5.09 0.00 4.81 0.14 -4.57 118.16 109.07 2o2a n LYS 47 Ca 0.06 0.66 -0.30 0.00 -0.87 0.00 0.00 58.31 57.87 2o2a n LYS 47 Cb 0.35 -5.06 -0.16 0.00 0.02 0.00 0.00 35.03 30.18 2o2a n LYS 47 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2o2a s VAL 48 N -3.49 1.81 -0.20 3.15 1.01 -0.43 -0.41 120.40 121.85 2o2a s VAL 48 Ca 0.33 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2o2a s VAL 48 Cb -0.08 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2o2a s VAL 48 CO 0.80 0.51 -0.01 -0.89 0.00 0.00 0.00 175.10 175.51 2o2a s THR 49 N 0.03 3.82 -0.13 3.92 2.01 -0.92 -0.74 115.64 123.62 2o2a s THR 49 Ca -0.07 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 2o2a s THR 49 Cb -0.14 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 2o2a s THR 49 CO 0.04 0.43 0.37 -0.44 -0.69 0.00 0.00 174.62 174.33 2o2a s SER 50 N 1.07 6.56 -0.04 3.53 0.01 0.43 -0.16 113.70 125.10 2o2a s SER 50 Ca 0.02 0.66 0.03 0.00 1.31 0.00 0.00 55.95 57.96 2o2a s SER 50 Cb -0.14 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2o2a s SER 50 CO 0.01 0.08 -0.11 -0.63 0.41 0.00 0.00 173.24 173.01 2o2a s ILE 51 N 0.40 0.95 -0.37 1.44 1.09 0.81 -0.48 121.20 125.04 2o2a s ILE 51 Ca 0.21 -0.42 -0.18 0.00 -1.10 0.00 0.00 60.65 59.16 2o2a s ILE 51 Cb -0.14 -0.86 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 2o2a s ILE 51 CO 0.07 0.30 0.50 -0.69 -0.10 0.00 0.00 174.94 175.02 2o2a s VAL 52 N 0.39 5.02 -0.02 2.92 1.01 0.25 -0.22 120.40 129.75 2o2a s VAL 52 Ca -0.08 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 2o2a s VAL 52 Cb -0.12 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2o2a s VAL 52 CO 0.02 -0.27 0.57 0.00 0.00 0.00 0.00 175.10 175.42 2o2a s ALA 53 N 2.36 3.50 -0.05 5.51 0.00 0.02 -0.62 121.76 132.48 2o2a s ALA 53 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2o2a s ALA 53 Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2o2a s ALA 53 CO 0.14 0.17 -0.08 0.08 0.00 0.00 0.00 175.76 176.07 2o2a s VAL 54 N -0.17 0.78 -0.19 0.00 1.01 -0.14 -1.06 120.40 120.64 2o2a s VAL 54 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2o2a s VAL 54 Cb -0.18 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2o2a s VAL 54 CO 0.16 0.28 -0.09 -0.22 0.00 0.00 0.00 175.10 175.23 2o2a s LEU 55 N 0.84 2.72 -0.11 3.92 2.96 0.11 -0.99 118.68 128.12 2o2a s LEU 55 Ca -0.12 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2o2a s LEU 55 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2o2a s LEU 55 CO 0.01 0.04 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.45 2o2a s GLN 56 N 1.10 3.19 -0.04 1.98 0.74 0.02 -0.73 119.66 125.92 2o2a s GLN 56 Ca 0.01 -0.52 -0.06 0.00 0.05 0.00 0.00 55.36 54.83 2o2a s GLN 56 Cb -0.15 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.22 2o2a s GLN 56 CO -0.02 0.48 0.16 -0.59 -0.55 0.00 0.00 175.29 174.76 2o2a s PHE 57 N -0.30 -0.10 -0.06 1.67 -0.12 -0.67 -0.79 117.98 117.61 2o2a s PHE 57 Ca 0.05 0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 2o2a s PHE 57 Cb -0.13 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 2o2a s PHE 57 CO 0.02 -0.16 -0.10 0.08 -0.05 0.00 0.00 175.22 175.01 2o2a s VAL 58 N -0.48 0.99 -0.16 -2.49 1.01 0.36 -1.87 120.40 117.77 2o2a s VAL 58 Ca -0.06 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2o2a s VAL 58 Cb -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2o2a s VAL 58 CO 0.01 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.61 2o2a s ILE 59 N 0.74 1.95 -0.12 2.22 1.01 0.20 -0.40 121.20 126.81 2o2a s ILE 59 Ca -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2o2a s ILE 59 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 2o2a s ILE 59 CO 0.03 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.65 2o2a s VAL 60 N 1.15 2.90 0.24 2.92 1.01 -1.26 -0.38 120.40 126.98 2o2a s VAL 60 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2o2a s VAL 60 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2o2a s VAL 60 CO -0.08 0.54 0.18 -0.13 0.00 0.00 0.00 175.10 175.60 2o2a s ARG 61 N 0.25 1.39 0.41 2.72 1.81 -0.66 -4.79 118.95 120.08 2o2a s ARG 61 Ca -0.10 -1.76 0.13 0.00 -1.72 0.00 0.00 55.73 52.28 2o2a s ARG 61 Cb -0.16 0.28 0.97 0.00 -0.45 0.00 0.00 34.95 35.60 2o2a s ARG 61 CO 0.06 -0.47 1.95 -0.44 -0.68 0.00 0.00 175.30 175.71 2o2a h ASP 62 N 2.46 0.44 0.38 0.23 3.32 -2.03 -2.84 116.42 118.38 2o2a h ASP 62 Ca -0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2o2a h ASP 62 Cb 1.24 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2o2a h ASP 62 CO 0.48 0.26 -1.20 -0.62 -1.72 0.00 0.00 179.24 176.44 2o2a n GLU 63 N -4.48 0.37 -3.57 3.56 4.71 -1.26 -4.74 120.64 115.23 2o2a n GLU 63 Ca 0.12 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 57.14 2o2a n GLU 63 Cb 0.40 -1.60 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 2o2a n GLU 63 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2o2a s PHE 64 N -3.26 -0.40 -0.11 -0.32 -0.12 -1.07 -2.44 117.98 110.26 2o2a s PHE 64 Ca 0.01 0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2o2a s PHE 64 Cb 0.14 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 43.11 2o2a s PHE 64 CO 0.83 -0.95 -0.23 0.08 -0.05 0.00 0.00 175.22 174.90 2o2a s VAL 65 N -3.81 2.17 -0.07 -2.49 1.01 0.43 -1.65 120.40 115.99 2o2a s VAL 65 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2o2a s VAL 65 Cb -0.02 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2o2a s VAL 65 CO -0.07 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.78 2o2a s ILE 66 N 0.39 2.72 0.08 2.22 1.01 0.48 -1.31 121.20 126.79 2o2a s ILE 66 Ca -0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 2o2a s ILE 66 Cb -0.18 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2o2a s ILE 66 CO 0.08 0.57 0.04 -0.94 0.00 0.00 0.00 174.94 174.68 2o2a s SER 67 N -0.25 0.37 0.00 3.58 1.04 0.47 0.62 113.70 119.54 2o2a s SER 67 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2o2a s SER 67 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2o2a s SER 67 CO 0.03 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2o2a n GLY 68 N 0.02 -1.43 2.87 7.32 0.00 -0.78 0.59 105.19 113.78 2o2a n GLY 68 Ca -0.12 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 2o2a n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2a s VAL 69 N -2.95 0.32 -0.03 1.61 1.01 -0.58 -1.67 120.40 118.11 2o2a s VAL 69 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2o2a s VAL 69 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2o2a s VAL 69 CO 0.00 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 2o2a s ILE 70 N 0.74 1.49 0.16 2.22 1.01 0.09 -1.42 121.20 125.49 2o2a s ILE 70 Ca -0.08 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.86 2o2a s ILE 70 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2o2a s ILE 70 CO -0.01 0.43 -0.15 -0.44 0.00 0.00 0.00 174.94 174.77 2o2a s SER 71 N -0.19 2.27 0.00 3.58 0.01 0.24 0.05 113.70 119.67 2o2a s SER 71 Ca 0.01 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2o2a s SER 71 Cb -0.10 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2o2a s SER 71 CO 0.01 -0.15 0.00 1.67 0.41 0.00 0.00 173.24 175.18 2o2a n GLN 72 N 0.15 0.00 0.00 12.44 7.27 -0.23 0.28 117.38 137.29 2o2a n GLN 72 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 2o2a n GLN 72 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 2o2a n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2o2a n ALA 74 N -3.00 0.00 -3.71 1.69 0.00 0.69 -0.80 120.51 115.39 2o2a n ALA 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2o2a n ALA 74 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2o2a n ALA 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2o2a s HIS 75 N -1.09 3.47 -0.10 0.00 3.76 -0.59 -0.14 115.29 120.60 2o2a s HIS 75 Ca 0.00 -2.20 -0.28 0.00 -0.15 0.00 0.00 55.06 52.43 2o2a s HIS 75 Cb 0.00 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 2o2a s HIS 75 CO 0.00 -0.90 0.92 0.42 -0.85 0.00 0.00 174.74 174.33 2o2a s ILE 76 N 1.18 4.86 -0.04 0.60 1.01 0.78 -2.05 121.20 127.53 2o2a s ILE 76 Ca 0.03 1.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.36 2o2a s ILE 76 Cb -0.21 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 2o2a s ILE 76 CO -0.03 0.07 0.53 -1.10 0.00 0.00 0.00 174.94 174.41 2o2a s GLN 77 N 1.72 4.27 -0.94 2.79 -1.52 0.21 -2.17 119.66 124.02 2o2a s GLN 77 Ca 0.45 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.46 2o2a s GLN 77 Cb -0.18 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 2o2a s GLN 77 CO 0.18 0.34 0.00 0.41 -0.25 0.00 0.00 175.29 175.98 2o2a n GLY 78 N 2.63 0.00 2.90 3.09 0.00 0.46 -4.46 105.19 109.81 2o2a n GLY 78 Ca -0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2o2a n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2a s ARG 79 N -4.44 0.04 -0.32 1.61 1.81 -0.75 -5.02 118.95 111.89 2o2a s ARG 79 Ca 0.00 0.08 -0.00 0.00 -1.72 0.00 0.00 55.73 54.08 2o2a s ARG 79 Cb 0.00 -0.01 0.07 0.00 -0.45 0.00 0.00 34.95 34.56 2o2a s ARG 79 CO 0.00 -0.02 0.02 -0.51 -0.68 0.00 0.00 175.30 174.11 2o2a s LEU 80 N 0.15 4.18 -0.19 2.53 1.43 -1.26 -2.52 118.68 122.99 2o2a s LEU 80 Ca -0.01 -1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 51.48 2o2a s LEU 80 Cb -0.02 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2o2a s LEU 80 CO -0.00 -0.31 0.03 -0.63 0.23 0.00 0.00 176.35 175.66 2o2a s ILE 81 N 1.16 4.32 -0.03 -0.59 1.01 -1.26 -4.98 121.20 120.83 2o2a s ILE 81 Ca -0.01 -0.19 0.17 0.00 0.00 0.00 0.00 60.65 60.61 2o2a s ILE 81 Cb -0.20 -2.95 -0.26 0.00 0.01 0.00 0.00 42.46 39.06 2o2a s ILE 81 CO -0.03 0.44 0.37 0.59 0.00 0.00 0.00 174.94 176.30 2o2a n ASN 82 N 3.94 1.16 -3.79 3.58 3.02 -1.26 -4.96 115.26 116.96 2o2a n ASN 82 Ca -0.17 -0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 2o2a n ASN 82 Cb 0.52 1.76 -0.10 0.00 -0.61 0.00 0.00 39.78 41.36 2o2a n ASN 82 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2o2a s GLU 83 N -3.16 0.51 0.33 3.52 -1.05 -1.26 -5.06 118.70 112.52 2o2a s GLU 83 Ca -0.06 -0.00 0.09 0.00 -0.15 0.00 0.00 54.97 54.85 2o2a s GLU 83 Cb 0.11 0.23 0.86 0.00 -0.44 0.00 0.00 34.13 34.88 2o2a s GLU 83 CO 0.70 -0.12 1.77 -1.35 0.95 0.00 0.00 175.26 177.21 2o2a h PRO 84 N 4.63 0.62 0.00 -4.83 0.11 -1.93 -0.37 132.00 130.23 2o2a h PRO 84 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2o2a h PRO 84 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2o2a h PRO 84 CO 0.37 0.41 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 2o2a n SER 85 N -4.77 0.13 -0.07 -2.05 3.41 -1.26 -1.68 113.62 107.33 2o2a n SER 85 Ca 0.24 0.55 0.02 0.00 -0.26 0.00 0.00 58.87 59.42 2o2a n SER 85 Cb 0.67 -0.57 0.33 0.00 -0.26 0.00 0.00 64.21 64.39 2o2a n SER 85 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2o2a h GLU 86 N 0.00 0.68 -6.63 4.33 5.08 -1.49 -3.44 114.58 113.12 2o2a h GLU 86 Ca 0.00 -0.07 -0.58 0.00 -1.00 0.00 0.00 59.36 57.71 2o2a h GLU 86 Cb 0.12 -0.14 0.09 0.00 0.50 0.00 0.00 28.75 29.32 2o2a h GLU 86 CO 0.00 0.51 0.58 1.19 -1.00 0.00 0.00 179.01 180.29 2o2a n PHE 87 N -4.40 2.18 -1.33 4.33 3.72 -0.68 -5.01 117.46 116.28 2o2a n PHE 87 Ca 0.04 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.61 2o2a n PHE 87 Cb 0.11 -2.45 0.12 0.00 -0.94 0.00 0.00 39.48 36.32 2o2a n PHE 87 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2o2a s SER 88 N 0.13 3.91 0.27 4.37 1.04 -1.26 -4.87 113.70 117.29 2o2a s SER 88 Ca 0.65 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 58.53 2o2a s SER 88 Cb -0.63 -2.16 0.55 0.00 0.10 0.00 0.00 66.02 63.88 2o2a s SER 88 CO 0.53 -2.36 1.77 -0.61 0.98 0.00 0.00 173.24 173.55 2o2a h GLN 89 N -1.35 0.64 -0.21 4.02 5.75 -1.98 -0.62 115.11 121.35 2o2a h GLN 89 Ca -0.48 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 57.85 2o2a h GLN 89 Cb 1.27 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 2o2a h GLN 89 CO 0.56 0.42 -0.41 -0.44 -2.65 0.00 0.00 178.83 176.31 2o2a h ASP 90 N 0.66 0.54 -0.07 -0.69 3.32 -1.99 -1.93 116.42 116.26 2o2a h ASP 90 Ca 0.47 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 2o2a h ASP 90 Cb 0.66 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2o2a h ASP 90 CO -0.36 0.89 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.38 2o2a h GLU 91 N 0.42 0.56 -0.14 3.56 5.08 -1.69 -1.63 114.58 120.74 2o2a h GLU 91 Ca 0.04 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2o2a h GLU 91 Cb 0.90 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2o2a h GLU 91 CO 0.08 0.83 0.04 0.28 -1.00 0.00 0.00 179.01 179.24 2o2a h VAL 92 N 0.47 1.18 -0.63 3.13 2.07 -0.99 -1.02 116.25 120.46 2o2a h VAL 92 Ca 0.05 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2o2a h VAL 92 Cb 0.82 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2o2a h VAL 92 CO 0.07 0.17 0.29 -0.33 0.02 0.00 0.00 177.57 177.79 2o2a h GLU 93 N 0.04 0.90 -0.06 1.57 5.08 -1.31 0.12 114.58 120.92 2o2a h GLU 93 Ca 0.04 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2o2a h GLU 93 Cb 0.22 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2o2a h GLU 93 CO -0.00 0.70 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.63 2o2a h ASN 94 N 0.90 -0.32 0.10 1.42 -0.73 -1.18 -0.84 115.58 114.92 2o2a h ASN 94 Ca 0.22 0.06 -0.15 0.00 1.87 0.00 0.00 56.30 58.30 2o2a h ASN 94 Cb 0.11 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 2o2a h ASN 94 CO -0.03 -0.15 -0.53 -0.07 -0.37 0.00 0.00 177.43 176.28 2o2a h LEU 95 N -0.16 0.51 -0.32 0.34 3.38 -0.84 -3.14 115.31 115.09 2o2a h LEU 95 Ca 0.06 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 2o2a h LEU 95 Cb 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2o2a h LEU 95 CO -0.15 0.94 -0.59 0.00 0.09 0.00 0.00 178.44 178.74 2o2a h ALA 96 N 1.07 0.71 -0.43 1.53 0.00 -0.70 -3.40 119.26 118.04 2o2a h ALA 96 Ca 0.01 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2o2a h ALA 96 Cb 1.05 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2o2a h ALA 96 CO 0.09 0.73 -0.09 0.00 0.00 0.00 0.00 179.25 179.98 2o2a h ALA 97 N 1.41 0.30 0.00 0.00 0.00 -1.09 -0.74 119.26 119.14 2o2a h ALA 97 Ca -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2o2a h ALA 97 Cb 1.31 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2o2a h ALA 97 CO 0.08 -0.44 -0.20 -1.35 0.00 0.00 0.00 179.25 177.33 2o2a h PRO 98 N 0.01 0.00 -0.06 0.00 0.11 -1.78 -1.09 132.00 129.20 2o2a h PRO 98 Ca 0.21 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.15 2o2a h PRO 98 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 2o2a h PRO 98 CO -0.43 0.20 -0.63 -0.07 -0.21 0.00 0.00 178.00 176.86 2o2a h LEU 99 N 0.00 0.66 -1.33 2.35 3.38 -1.42 -2.79 115.31 116.17 2o2a h LEU 99 Ca -0.00 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.23 2o2a h LEU 99 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2o2a h LEU 99 CO 0.03 1.26 -0.06 -0.07 0.09 0.00 0.00 178.44 179.68 2o2a h LEU 100 N 0.12 0.35 -0.61 1.67 3.38 -1.14 -2.91 115.31 116.18 2o2a h LEU 100 Ca -0.06 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2o2a h LEU 100 Cb 1.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2o2a h LEU 100 CO 0.13 0.46 0.10 -0.08 0.09 0.00 0.00 178.44 179.15 2o2a h GLU 101 N 0.36 1.01 -0.53 1.13 4.57 -1.12 -1.60 114.58 118.40 2o2a h GLU 101 Ca 0.08 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2o2a h GLU 101 Cb 0.34 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 2o2a h GLU 101 CO 0.02 0.94 0.28 0.82 -1.18 0.00 0.00 179.01 179.89 2o2a h ILE 102 N 0.92 0.98 -0.50 2.32 1.08 -1.30 -1.33 117.51 119.67 2o2a h ILE 102 Ca 0.19 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2o2a h ILE 102 Cb 0.42 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2o2a h ILE 102 CO 0.01 0.10 0.08 0.58 -0.69 0.00 0.00 178.15 178.23 2o2a h VAL 103 N 0.55 1.25 -0.29 1.67 2.07 -1.41 -0.23 116.25 119.86 2o2a h VAL 103 Ca 0.23 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2o2a h VAL 103 Cb 0.11 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2o2a h VAL 103 CO -0.15 0.34 -0.00 0.50 0.02 0.00 0.00 177.57 178.28 2o2a h LYS 104 N 0.71 0.08 -0.41 1.57 3.64 -1.00 -0.09 116.57 121.08 2o2a h LYS 104 Ca 0.15 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2o2a h LYS 104 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2o2a h LYS 104 CO 0.01 0.05 -0.08 0.00 -2.27 0.00 0.00 179.45 177.17 2o2a h ARG 105 N 0.08 0.77 -0.41 1.90 3.08 -0.89 -1.35 114.38 117.56 2o2a h ARG 105 Ca 0.14 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2o2a h ARG 105 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2o2a h ARG 105 CO -0.24 0.89 0.15 -0.07 -1.07 0.00 0.00 179.97 179.64 2o2a h LEU 106 N 0.59 0.57 -0.64 3.04 3.38 -0.88 -2.33 115.31 119.04 2o2a h LEU 106 Ca 0.11 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2o2a h LEU 106 Cb 0.59 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2o2a h LEU 106 CO 0.04 0.59 0.05 0.74 0.09 0.00 0.00 178.44 179.95 2o2a h THR 107 N 0.51 1.27 0.20 0.22 2.02 -0.92 -0.34 112.91 115.87 2o2a h THR 107 Ca 0.13 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2o2a h THR 107 Cb 0.21 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2o2a h THR 107 CO -0.01 0.41 -0.11 0.22 0.37 0.00 0.00 175.52 176.40 2o2a h TYR 108 N 1.01 -0.30 -0.30 3.16 3.20 -1.18 -0.05 116.97 122.51 2o2a h TYR 108 Ca 0.19 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2o2a h TYR 108 Cb 0.51 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2o2a h TYR 108 CO 0.04 -0.18 0.03 0.93 -1.64 0.00 0.00 178.16 177.33 2o2a h GLU 109 N -0.30 0.52 -0.25 1.82 4.39 -1.33 -1.91 114.58 117.52 2o2a h GLU 109 Ca -0.02 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 2o2a h GLU 109 Cb 0.24 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2o2a h GLU 109 CO 0.03 0.64 -0.16 0.28 -1.16 0.00 0.00 179.01 178.63 2o2a h VAL 110 N 0.33 1.31 -0.26 3.13 2.07 -1.01 -2.61 116.25 119.21 2o2a h VAL 110 Ca 0.09 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 2o2a h VAL 110 Cb 0.38 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2o2a h VAL 110 CO 0.01 0.40 -0.30 0.71 0.02 0.00 0.00 177.57 178.41 2o2a h THR 111 N 0.26 1.28 -0.50 2.57 1.35 -1.03 -0.01 112.91 116.83 2o2a h THR 111 Ca 0.05 -1.38 0.05 0.00 -0.55 0.00 0.00 66.41 64.58 2o2a h THR 111 Cb 0.68 1.40 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 2o2a h THR 111 CO 0.04 0.44 0.25 -0.08 -0.25 0.00 0.00 175.52 175.92 2o2a h GLU 112 N 0.47 0.47 -0.08 4.72 4.57 -1.26 -1.33 114.58 122.14 2o2a h GLU 112 Ca 0.06 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 2o2a h GLU 112 Cb 0.75 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2o2a h GLU 112 CO 0.06 0.31 -0.39 0.82 -1.18 0.00 0.00 179.01 178.63 2o2a h ILE 113 N 0.49 1.40 -0.33 2.32 2.04 -1.22 -1.95 117.51 120.26 2o2a h ILE 113 Ca 0.22 -1.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.22 2o2a h ILE 113 Cb 0.14 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2o2a h ILE 113 CO -0.16 0.52 -0.16 0.00 0.00 0.00 0.00 178.15 178.35 2o2a h ALA 114 N 0.45 0.46 -0.00 1.87 0.00 -0.93 -3.25 119.26 117.85 2o2a h ALA 114 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2o2a h ALA 114 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2o2a h ALA 114 CO 0.08 0.38 -0.78 1.28 0.00 0.00 0.00 179.25 180.21 2o2a n LEU 115 N -4.35 1.23 -3.78 0.00 4.32 -0.51 -4.99 117.00 108.92 2o2a n LEU 115 Ca -0.03 -0.58 -0.28 0.00 -0.02 0.00 0.00 56.01 55.10 2o2a n LEU 115 Cb 0.39 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.20 2o2a n LEU 115 CO 0.43 0.27 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.99 2o2a n ASP 116 N -1.04 -4.08 -3.57 -1.43 -0.08 -0.73 -4.94 116.55 100.68 2o2a n ASP 116 Ca 0.05 -0.97 -0.06 0.00 -1.51 0.00 0.00 54.79 52.30 2o2a n ASP 116 Cb 0.35 -1.42 -0.02 0.00 2.34 0.00 0.00 41.12 42.37 2o2a n ASP 116 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2o2a s ARG 117 N -5.43 0.77 0.12 -0.67 1.70 -1.24 -5.09 118.95 109.12 2o2a s ARG 117 Ca 0.13 -0.32 -0.35 0.00 -0.47 0.00 0.00 55.73 54.71 2o2a s ARG 117 Cb -0.07 0.33 -0.15 0.00 -0.57 0.00 0.00 34.95 34.48 2o2a s ARG 117 CO 0.82 -0.34 1.44 -2.30 -1.08 0.00 0.00 175.30 173.84 2o2a n PRO 118 N -0.27 1.59 -1.61 3.89 -0.02 -1.26 -4.30 135.00 133.01 2o2a n PRO 118 Ca -0.07 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 2o2a n PRO 118 Cb 0.61 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 2o2a n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2a n GLY 119 N 2.87 -0.28 3.74 -1.23 0.00 -1.26 -4.76 105.19 104.27 2o2a n GLY 119 Ca 0.18 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2o2a n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2a s VAL 120 N -1.44 2.97 -0.37 1.61 1.01 -1.26 -4.93 120.40 117.99 2o2a s VAL 120 Ca 0.71 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2o2a s VAL 120 Cb -0.46 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.50 2o2a s VAL 120 CO 0.51 0.14 0.12 0.42 0.00 0.00 0.00 175.10 176.28 2o2a s THR 121 N -0.11 2.64 0.46 3.92 -4.23 -1.26 -3.55 115.64 113.51 2o2a s THR 121 Ca 0.56 -2.31 -0.23 0.00 -1.18 0.00 0.00 61.69 58.53 2o2a s THR 121 Cb -0.39 -2.89 -0.07 0.00 1.34 0.00 0.00 72.50 70.49 2o2a s THR 121 CO 0.42 -0.64 1.21 -0.76 -0.54 0.00 0.00 174.62 174.31 2o2a s LEU 122 N 0.91 4.04 0.00 4.79 1.43 -1.26 -5.15 118.68 123.44 2o2a s LEU 122 Ca 0.10 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2o2a s LEU 122 Cb -0.21 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 41.85 2o2a s LEU 122 CO -0.06 -0.97 0.00 -0.62 0.23 0.00 0.00 176.35 174.93