#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajs s VAL 2 N 0.00 3.55 -0.00 2.62 1.01 -1.26 -4.59 120.40 121.73 2ajs s VAL 2 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2ajs s VAL 2 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ajs s VAL 2 CO 0.00 0.14 -0.01 -0.54 0.00 0.00 0.00 175.10 174.69 2ajs s LYS 3 N -2.12 0.07 0.05 2.72 1.02 -0.37 -4.94 119.74 116.18 2ajs s LYS 3 Ca 0.53 -0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.58 2ajs s LYS 3 Cb -0.27 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.93 2ajs s LYS 3 CO 0.34 0.01 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.04 2ajs s LEU 4 N 0.05 2.18 -0.11 3.17 1.02 -1.26 -1.05 118.68 122.68 2ajs s LEU 4 Ca -0.00 -0.56 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 2ajs s LEU 4 Cb -0.01 -1.05 0.06 0.00 0.02 0.00 0.00 46.19 45.20 2ajs s LEU 4 CO -0.00 0.18 0.23 -0.55 0.02 0.00 0.00 176.35 176.22 2ajs s SER 5 N -1.29 0.31 0.34 2.29 0.15 -0.61 -3.98 113.70 110.92 2ajs s SER 5 Ca 0.09 0.50 -0.23 0.00 0.70 0.00 0.00 55.95 57.00 2ajs s SER 5 Cb -0.09 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.64 2ajs s SER 5 CO 0.02 -0.22 0.91 -1.61 1.20 0.00 0.00 173.24 173.54 2ajs s GLU 6 N 2.11 4.42 0.06 5.44 8.01 -1.26 -0.72 118.70 136.76 2ajs s GLU 6 Ca -0.01 1.19 -0.06 0.00 0.01 0.00 0.00 54.97 56.10 2ajs s GLU 6 Cb -0.12 -2.62 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 2ajs s GLU 6 CO -0.08 0.20 0.12 -1.54 0.01 0.00 0.00 175.26 173.97 2ajs s SER 7 N -1.81 0.19 0.00 -0.19 1.04 0.79 -4.84 113.70 108.88 2ajs s SER 7 Ca 0.53 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2ajs s SER 7 Cb -0.15 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2ajs s SER 7 CO 0.20 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2ajs n GLY 8 N 0.40 2.46 3.61 7.32 0.00 -1.26 -1.13 105.19 116.59 2ajs n GLY 8 Ca -0.17 -1.54 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 2ajs n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ajs n PRO 9 N -1.65 1.52 0.00 1.61 -0.02 -1.26 -4.90 135.00 130.30 2ajs n PRO 9 Ca 0.00 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 2ajs n PRO 9 Cb 0.00 -2.02 0.30 0.00 -0.02 0.00 0.00 33.50 31.76 2ajs n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajs n GLY 10 N 1.58 -0.91 2.82 -1.23 0.00 -1.26 -4.74 105.19 101.45 2ajs n GLY 10 Ca 0.11 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 2ajs n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ajs s LEU 11 N -2.74 1.06 -0.02 0.99 2.96 -1.26 -0.58 118.68 119.09 2ajs s LEU 11 Ca 0.18 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2ajs s LEU 11 Cb 0.18 -0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.59 2ajs s LEU 11 CO 0.61 -0.11 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.75 2ajs s VAL 12 N 1.19 0.71 0.38 1.68 1.01 -0.44 -4.97 120.40 119.98 2ajs s VAL 12 Ca -0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2ajs s VAL 12 Cb -0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 2ajs s VAL 12 CO -0.02 0.21 0.96 -0.54 0.00 0.00 0.00 175.10 175.72 2ajs s LYS 13 N -0.01 4.35 0.43 2.72 1.02 -1.26 -1.78 119.74 125.22 2ajs s LYS 13 Ca 0.00 1.27 -0.24 0.00 0.02 0.00 0.00 55.97 57.02 2ajs s LYS 13 Cb -0.06 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.67 2ajs s LYS 13 CO -0.00 0.07 1.05 -2.30 -0.92 0.00 0.00 175.35 173.25 2ajs n PRO 14 N -0.08 1.42 0.00 -1.68 -0.02 -1.26 -1.56 135.00 131.82 2ajs n PRO 14 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2ajs n PRO 14 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2ajs n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2ajs n SER 15 N 0.40 0.00 -3.34 2.55 3.41 0.17 -4.92 113.62 111.89 2ajs n SER 15 Ca 0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 2ajs n SER 15 Cb 0.39 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 2ajs n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ajs n GLN 16 N -1.95 -0.64 -4.41 4.33 1.13 -0.60 -3.99 117.38 111.25 2ajs n GLN 16 Ca 0.00 -1.44 -0.34 0.00 -1.94 0.00 0.00 57.00 53.28 2ajs n GLN 16 Cb 0.00 -0.80 -0.12 0.00 0.11 0.00 0.00 30.24 29.43 2ajs n GLN 16 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ajs s SER 17 N -4.08 4.79 -0.11 1.08 0.15 -1.26 -1.52 113.70 112.75 2ajs s SER 17 Ca 0.48 -0.13 -0.19 0.00 0.70 0.00 0.00 55.95 56.82 2ajs s SER 17 Cb -0.02 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 2ajs s SER 17 CO 0.33 0.17 0.49 -0.22 1.20 0.00 0.00 173.24 175.22 2ajs s LEU 18 N 0.35 4.28 -0.11 3.45 2.96 0.98 -4.95 118.68 125.65 2ajs s LEU 18 Ca -0.04 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2ajs s LEU 18 Cb -0.14 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.84 2ajs s LEU 18 CO 0.03 0.00 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.49 2ajs s SER 19 N 0.59 2.32 0.14 3.68 0.01 -1.26 -0.53 113.70 118.66 2ajs s SER 19 Ca 0.27 -0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.23 2ajs s SER 19 Cb -0.15 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2ajs s SER 19 CO 0.11 -0.03 -0.21 -0.76 0.41 0.00 0.00 173.24 172.76 2ajs s LEU 20 N 1.23 2.38 -0.09 2.44 1.43 0.11 -4.41 118.68 121.77 2ajs s LEU 20 Ca -0.02 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 2ajs s LEU 20 Cb -0.14 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 2ajs s LEU 20 CO -0.04 0.04 -0.16 -0.89 0.23 0.00 0.00 176.35 175.52 2ajs s THR 21 N -1.60 2.86 -0.28 5.49 2.01 -0.28 -1.22 115.64 122.61 2ajs s THR 21 Ca 0.13 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 2ajs s THR 21 Cb -0.08 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2ajs s THR 21 CO 0.06 0.56 0.07 0.00 -0.69 0.00 0.00 174.62 174.62 2ajs s THR 23 N 1.51 5.16 -0.21 0.00 2.01 0.10 -1.64 115.64 122.57 2ajs s THR 23 Ca 0.03 0.69 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 2ajs s THR 23 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2ajs s THR 23 CO 0.02 0.17 0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 2ajs s VAL 24 N 1.89 4.78 0.07 3.82 1.01 -0.80 -1.57 120.40 129.60 2ajs s VAL 24 Ca 0.18 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.22 2ajs s VAL 24 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2ajs s VAL 24 CO 0.09 0.41 -0.25 0.42 0.00 0.00 0.00 175.10 175.77 2ajs s THR 25 N 0.81 2.04 0.00 3.92 -4.23 -0.22 -4.76 115.64 113.21 2ajs s THR 25 Ca 0.04 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2ajs s THR 25 Cb -0.13 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2ajs s THR 25 CO 0.02 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2ajs n GLY 26 N 1.52 1.05 3.53 3.99 0.00 -1.26 -1.24 105.19 112.77 2ajs n GLY 26 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2ajs n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ajs s TYR 27 N -2.42 -0.68 0.13 1.61 5.04 -1.26 -4.59 117.35 115.18 2ajs s TYR 27 Ca 0.00 1.61 -0.30 0.00 -2.44 0.00 0.00 57.07 55.94 2ajs s TYR 27 Cb 0.00 0.25 -0.06 0.00 0.35 0.00 0.00 41.96 42.49 2ajs s TYR 27 CO 0.00 -0.36 1.02 0.45 -1.34 0.00 0.00 175.55 175.32 2ajs s SER 28 N 0.18 7.41 0.00 4.32 0.15 -1.26 -4.95 113.70 119.55 2ajs s SER 28 Ca -0.01 1.90 0.29 0.00 0.70 0.00 0.00 55.95 58.83 2ajs s SER 28 Cb -0.04 -2.59 1.28 0.00 -1.71 0.00 0.00 66.02 62.95 2ajs s SER 28 CO 0.02 -0.13 1.95 2.30 1.20 0.00 0.00 173.24 178.57 2ajs n ILE 29 N 2.70 0.00 -1.29 6.45 -5.35 -1.26 -4.02 119.36 116.59 2ajs n ILE 29 Ca 0.03 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.23 2ajs n ILE 29 Cb 0.48 -0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 37.80 2ajs n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2ajs n THR 30 N -1.47 3.82 -4.29 7.28 -2.24 -1.26 -4.44 114.28 111.69 2ajs n THR 30 Ca 0.08 -2.43 -0.15 0.00 -2.27 0.00 0.00 64.05 59.28 2ajs n THR 30 Cb 0.33 -2.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.25 2ajs n THR 30 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2ajs s THR 31 N 0.83 0.55 -1.44 4.28 -4.23 -1.26 -4.90 115.64 109.47 2ajs s THR 31 Ca 0.66 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 2ajs s THR 31 Cb 0.26 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.66 2ajs s THR 31 CO -0.06 -0.13 2.33 0.59 -0.54 0.00 0.00 174.62 176.81 2ajs n ASN 32 N -0.39 5.75 -4.16 3.99 3.02 -1.26 -1.96 115.26 120.24 2ajs n ASN 32 Ca -0.02 -2.88 -0.14 0.00 -0.03 0.00 0.00 54.58 51.52 2ajs n ASN 32 Cb 0.65 -1.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.16 2ajs n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ajs s TYR 33 N 1.80 0.99 -0.60 3.10 1.51 -1.26 -4.69 117.35 118.20 2ajs s TYR 33 Ca 0.51 -0.69 -0.22 0.00 -1.01 0.00 0.00 57.07 55.67 2ajs s TYR 33 Cb 0.14 -0.55 0.07 0.00 -0.11 0.00 0.00 41.96 41.51 2ajs s TYR 33 CO -0.06 -0.03 0.87 0.00 -1.11 0.00 0.00 175.55 175.21 2ajs s ALA 34 N -2.55 3.21 -0.58 3.71 0.00 0.11 -4.21 121.76 121.44 2ajs s ALA 34 Ca 0.05 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.98 2ajs s ALA 34 Cb -0.02 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2ajs s ALA 34 CO -0.01 -2.50 1.21 -1.58 0.00 0.00 0.00 175.76 172.88 2ajs s TRP 35 N 3.61 2.58 0.18 0.00 0.52 0.09 -1.25 118.94 124.67 2ajs s TRP 35 Ca 0.21 0.41 0.11 0.00 0.02 0.00 0.00 56.10 56.85 2ajs s TRP 35 Cb -0.17 -4.51 -0.04 0.00 -1.15 0.00 0.00 33.47 27.59 2ajs s TRP 35 CO 0.12 -1.63 -0.23 -0.08 0.02 0.00 0.00 176.95 175.15 2ajs s THR 35 N 5.05 2.20 -0.15 2.01 -1.32 0.25 -1.31 115.64 122.38 2ajs s THR 35 Ca 0.44 -1.96 -0.04 0.00 -1.21 0.00 0.00 61.69 58.91 2ajs s THR 35 Cb -0.08 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 68.86 2ajs s THR 35 CO 0.25 -0.14 -0.03 0.26 -2.21 0.00 0.00 174.62 172.75 2ajs s TRP 36 N -1.69 3.04 0.09 9.09 0.52 -0.56 -1.06 118.94 128.38 2ajs s TRP 36 Ca 0.18 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 56.15 2ajs s TRP 36 Cb -0.08 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 2ajs s TRP 36 CO 0.09 0.02 -0.19 0.42 0.02 0.00 0.00 176.95 177.30 2ajs s ILE 37 N 0.25 1.57 0.10 2.03 1.09 0.28 -1.11 121.20 125.41 2ajs s ILE 37 Ca -0.02 -1.43 0.04 0.00 -1.10 0.00 0.00 60.65 58.14 2ajs s ILE 37 Cb -0.14 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.80 2ajs s ILE 37 CO 0.03 -0.05 -0.11 0.00 -0.10 0.00 0.00 174.94 174.70 2ajs s ARG 38 N -1.75 0.87 -0.12 2.79 1.70 -0.38 -0.22 118.95 121.85 2ajs s ARG 38 Ca 0.05 -1.16 -0.00 0.00 -0.47 0.00 0.00 55.73 54.15 2ajs s ARG 38 Cb -0.10 -0.61 0.02 0.00 -0.57 0.00 0.00 34.95 33.70 2ajs s ARG 38 CO 0.03 0.10 -0.10 -1.14 -1.08 0.00 0.00 175.30 173.12 2ajs s GLN 39 N -2.71 1.79 0.70 3.89 0.74 0.59 -0.60 119.66 124.06 2ajs s GLN 39 Ca 0.06 -0.36 -0.11 0.00 0.05 0.00 0.00 55.36 54.99 2ajs s GLN 39 Cb -0.04 -1.75 0.01 0.00 1.10 0.00 0.00 33.01 32.33 2ajs s GLN 39 CO 0.01 -0.25 1.08 -0.06 -0.55 0.00 0.00 175.29 175.52 2ajs s PHE 40 N 1.60 3.29 0.22 1.67 0.08 -0.00 -1.09 117.98 123.74 2ajs s PHE 40 Ca 0.04 1.16 -0.32 0.00 0.12 0.00 0.00 56.93 57.93 2ajs s PHE 40 Cb -0.13 -2.98 -0.13 0.00 -0.57 0.00 0.00 43.02 39.22 2ajs s PHE 40 CO -0.09 -1.17 1.60 -2.30 -0.10 0.00 0.00 175.22 173.16 2ajs n PRO 41 N -3.03 2.46 0.00 0.24 -0.02 -1.26 -0.44 135.00 132.95 2ajs n PRO 41 Ca 0.07 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2ajs n PRO 41 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2ajs n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajs n GLY 42 N 3.08 1.72 1.12 -1.23 0.00 -1.26 -4.66 105.19 103.96 2ajs n GLY 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2ajs n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ajs n ASN 43 N 0.00 -0.49 -4.73 1.61 3.02 0.41 -5.04 115.26 110.04 2ajs n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2ajs n ASN 43 Cb 0.00 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2ajs n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ajs s LYS 44 N -0.57 4.15 -0.12 3.52 2.20 -1.25 -4.68 119.74 122.98 2ajs s LYS 44 Ca 0.00 2.53 -0.07 0.00 -0.36 0.00 0.00 55.97 58.07 2ajs s LYS 44 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2ajs s LYS 44 CO 0.00 -0.65 0.13 -0.51 -0.36 0.00 0.00 175.35 173.96 2ajs s LEU 45 N 0.35 4.32 -0.04 5.43 1.43 -1.26 -0.82 118.68 128.09 2ajs s LEU 45 Ca 0.68 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2ajs s LEU 45 Cb -0.47 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.71 2ajs s LEU 45 CO 0.39 0.39 -0.05 -0.70 0.23 0.00 0.00 176.35 176.61 2ajs s GLU 46 N -0.91 0.82 0.01 1.70 2.12 0.24 -5.00 118.70 117.68 2ajs s GLU 46 Ca 0.14 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 2ajs s GLU 46 Cb -0.12 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 2ajs s GLU 46 CO 0.03 -0.06 1.08 -0.46 -0.54 0.00 0.00 175.26 175.32 2ajs s TRP 47 N 0.80 3.53 -0.26 5.30 -0.00 -1.26 -1.25 118.94 125.80 2ajs s TRP 47 Ca -0.11 1.51 -0.07 0.00 -0.00 0.00 0.00 56.10 57.43 2ajs s TRP 47 Cb -0.14 -3.26 -0.15 0.00 -0.00 0.00 0.00 33.47 29.92 2ajs s TRP 47 CO 0.00 -0.59 -0.25 -1.33 -0.00 0.00 0.00 176.95 174.78 2ajs n MET 48 N 4.10 0.62 0.00 5.86 2.81 -0.26 -4.58 117.12 125.67 2ajs n MET 48 Ca 0.08 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 2ajs n MET 48 Cb 0.49 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 2ajs n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ajs n GLY 49 N 1.74 0.61 3.16 3.03 0.00 -1.18 -0.64 105.19 111.92 2ajs n GLY 49 Ca -0.49 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2ajs n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ajs s TYR 50 N -2.00 0.90 -0.01 1.61 -0.85 -0.12 -1.49 117.35 115.39 2ajs s TYR 50 Ca 0.00 -1.14 0.07 0.00 -0.52 0.00 0.00 57.07 55.48 2ajs s TYR 50 Cb 0.00 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.79 2ajs s TYR 50 CO 0.00 -0.40 -0.22 -1.50 -1.52 0.00 0.00 175.55 171.91 2ajs s ILE 51 N -3.91 2.46 0.01 -3.49 2.07 -0.42 -1.91 121.20 116.00 2ajs s ILE 51 Ca 0.21 -1.06 -0.04 0.00 -1.41 0.00 0.00 60.65 58.35 2ajs s ILE 51 Cb 0.07 -1.93 -0.01 0.00 0.13 0.00 0.00 42.46 40.73 2ajs s ILE 51 CO 0.00 0.51 0.08 0.00 -1.91 0.00 0.00 174.94 173.62 2ajs s ARG 52 N -0.87 0.39 -1.52 3.50 1.70 0.69 -0.73 118.95 122.10 2ajs s ARG 52 Ca 0.11 -0.42 -0.14 0.00 -0.47 0.00 0.00 55.73 54.81 2ajs s ARG 52 Cb -0.10 0.16 0.10 0.00 -0.57 0.00 0.00 34.95 34.53 2ajs s ARG 52 CO 0.01 -0.08 0.80 0.45 -1.08 0.00 0.00 175.30 175.40 2ajs n SER 53 N 1.65 -4.24 0.00 -2.89 2.88 -0.83 -1.95 113.62 108.24 2ajs n SER 53 Ca -0.22 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 2ajs n SER 53 Cb 0.56 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 2ajs n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ajs n SER 54 N -2.64 0.00 0.00 -3.46 7.64 -1.26 -4.36 113.62 109.54 2ajs n SER 54 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2ajs n SER 54 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2ajs n SER 54 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ajs n VAL 55 N 0.00 0.33 -4.86 0.44 0.24 -1.18 -4.88 118.33 108.42 2ajs n VAL 55 Ca 0.00 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.34 61.57 2ajs n VAL 55 Cb 0.00 1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.23 2ajs n VAL 55 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2ajs s ILE 56 N -0.33 2.91 0.21 1.34 1.01 -0.82 -5.00 121.20 120.52 2ajs s ILE 56 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2ajs s ILE 56 Cb 0.00 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2ajs s ILE 56 CO 0.00 0.54 -0.03 0.42 0.00 0.00 0.00 174.94 175.87 2ajs s THR 57 N 0.20 1.10 -0.16 2.92 -4.23 -1.26 -0.22 115.64 113.99 2ajs s THR 57 Ca -0.09 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.21 2ajs s THR 57 Cb -0.15 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.50 2ajs s THR 57 CO 0.05 -0.42 0.45 -0.60 -0.54 0.00 0.00 174.62 173.56 2ajs s ARG 58 N -3.83 0.55 0.13 3.99 3.52 -0.80 -4.98 118.95 117.53 2ajs s ARG 58 Ca 0.26 0.58 0.07 0.00 -0.13 0.00 0.00 55.73 56.51 2ajs s ARG 58 Cb 0.05 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2ajs s ARG 58 CO 0.07 -0.08 -0.17 0.71 -0.81 0.00 0.00 175.30 175.02 2ajs s TYR 59 N 0.12 1.61 0.06 5.12 2.02 -1.26 -0.95 117.35 124.08 2ajs s TYR 59 Ca -0.01 -0.49 -0.31 0.00 -0.37 0.00 0.00 57.07 55.90 2ajs s TYR 59 Cb -0.03 -0.84 -0.09 0.00 -0.40 0.00 0.00 41.96 40.60 2ajs s TYR 59 CO 0.01 0.21 1.74 1.21 -1.57 0.00 0.00 175.55 177.15 2ajs s ASN 60 N -2.34 6.55 0.65 2.29 3.84 0.19 -4.90 114.94 121.20 2ajs s ASN 60 Ca 0.10 2.55 0.35 0.00 0.21 0.00 0.00 52.86 56.07 2ajs s ASN 60 Cb -0.07 -2.56 1.95 0.00 -0.55 0.00 0.00 41.25 40.03 2ajs s ASN 60 CO 0.04 -0.94 2.14 -0.65 -2.79 0.00 0.00 177.10 174.91 2ajs h PRO 61 N 8.82 0.00 0.00 0.43 0.11 -1.92 -1.39 132.00 138.04 2ajs h PRO 61 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ajs h PRO 61 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ajs h PRO 61 CO 0.94 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.38 2ajs h SER 62 N 0.00 0.00 -0.24 -2.05 4.64 -1.97 -2.08 113.55 111.85 2ajs h SER 62 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ajs h SER 62 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2ajs h SER 62 CO -0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 2ajs n LEU 63 N -3.13 2.67 0.00 5.97 4.77 -0.52 -5.01 117.00 121.74 2ajs n LEU 63 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2ajs n LEU 63 Cb 0.17 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ajs n LEU 63 CO 0.23 0.55 0.00 0.29 -1.33 0.00 0.00 177.39 177.13 2ajs n LYS 64 N 1.00 0.00 -1.08 3.23 4.76 -0.79 -1.02 118.16 124.26 2ajs n LYS 64 Ca 0.17 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.44 2ajs n LYS 64 Cb 0.50 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.87 2ajs n LYS 64 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2ajs n SER 65 N 1.59 3.28 0.09 4.39 3.41 -1.26 -4.46 113.62 120.67 2ajs n SER 65 Ca 0.00 -3.68 0.12 0.00 -0.26 0.00 0.00 58.87 55.05 2ajs n SER 65 Cb 0.00 -0.77 0.22 0.00 -0.26 0.00 0.00 64.21 63.40 2ajs n SER 65 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2ajs h ARG 66 N 1.00 0.00 -6.10 4.33 3.08 -1.41 -3.47 114.38 111.81 2ajs h ARG 66 Ca 0.49 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.86 2ajs h ARG 66 Cb 2.45 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 32.32 2ajs h ARG 66 CO 0.85 0.00 -0.68 -1.50 -1.07 0.00 0.00 179.97 177.58 2ajs s ILE 67 N -3.17 3.85 -0.01 2.04 2.07 -1.25 -0.31 121.20 124.41 2ajs s ILE 67 Ca 0.07 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2ajs s ILE 67 Cb 0.12 -2.58 0.02 0.00 0.13 0.00 0.00 42.46 40.15 2ajs s ILE 67 CO 0.69 0.60 0.02 -0.55 -1.91 0.00 0.00 174.94 173.79 2ajs s SER 68 N -0.82 0.06 -0.14 4.50 0.15 -0.34 -5.01 113.70 112.11 2ajs s SER 68 Ca 0.12 0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.82 2ajs s SER 68 Cb -0.11 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2ajs s SER 68 CO 0.02 -0.09 -0.19 -0.63 1.20 0.00 0.00 173.24 173.55 2ajs s ILE 69 N 0.77 2.42 0.33 6.45 1.01 -1.26 -0.94 121.20 129.97 2ajs s ILE 69 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2ajs s ILE 69 Cb -0.09 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2ajs s ILE 69 CO -0.02 0.53 0.15 0.42 0.00 0.00 0.00 174.94 176.02 2ajs s THR 70 N 0.67 0.47 0.05 2.92 -4.23 -1.06 -4.91 115.64 109.55 2ajs s THR 70 Ca -0.09 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 2ajs s THR 70 Cb -0.16 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 2ajs s THR 70 CO 0.02 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.15 2ajs s GLN 71 N -3.79 0.61 -0.36 3.99 -2.07 -1.26 -0.48 119.66 116.31 2ajs s GLN 71 Ca 0.33 -0.96 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 2ajs s GLN 71 Cb 0.05 0.23 0.10 0.00 -1.09 0.00 0.00 33.01 32.30 2ajs s GLN 71 CO 0.17 -0.14 0.10 0.34 -1.32 0.00 0.00 175.29 174.44 2ajs s ASP 72 N -2.50 4.95 0.22 12.60 -1.08 0.12 -5.00 116.67 125.98 2ajs s ASP 72 Ca 0.00 -2.07 -0.09 0.00 -0.52 0.00 0.00 52.55 49.88 2ajs s ASP 72 Cb 0.03 -1.71 0.18 0.00 -1.46 0.00 0.00 42.92 39.96 2ajs s ASP 72 CO -0.07 -0.44 1.87 0.74 0.52 0.00 0.00 175.17 177.79 2ajs h THR 73 N 6.52 1.23 -0.64 1.71 2.02 -1.97 -1.36 112.91 120.41 2ajs h THR 73 Ca -0.08 -0.50 0.15 0.00 0.77 0.00 0.00 66.41 66.75 2ajs h THR 73 Cb 1.03 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2ajs h THR 73 CO 0.59 0.24 0.44 -1.28 0.37 0.00 0.00 175.52 175.88 2ajs h SER 74 N 1.14 0.19 -0.01 4.18 0.87 -1.95 -2.28 113.55 115.68 2ajs h SER 74 Ca 0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2ajs h SER 74 Cb -0.05 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2ajs h SER 74 CO -0.06 0.10 -0.29 0.29 -0.53 0.00 0.00 176.83 176.34 2ajs n LYS 75 N -4.42 1.58 -3.74 2.24 5.02 -0.93 -4.99 118.16 112.92 2ajs n LYS 75 Ca 0.12 -1.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.18 2ajs n LYS 75 Cb 0.57 -1.32 0.03 0.00 -0.02 0.00 0.00 35.03 34.29 2ajs n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ajs n ASN 76 N 0.13 -1.87 -4.21 4.39 4.05 -0.56 -4.79 115.26 112.40 2ajs n ASN 76 Ca 0.08 -0.81 -0.24 0.00 0.45 0.00 0.00 54.58 54.06 2ajs n ASN 76 Cb 0.38 -4.05 -0.14 0.00 1.23 0.00 0.00 39.78 37.21 2ajs n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2ajs s GLN 77 N -6.09 1.28 0.25 1.20 -0.21 -0.94 -1.91 119.66 113.23 2ajs s GLN 77 Ca 0.13 -0.84 0.11 0.00 0.02 0.00 0.00 55.36 54.77 2ajs s GLN 77 Cb -0.06 -1.34 -0.05 0.00 1.00 0.00 0.00 33.01 32.56 2ajs s GLN 77 CO 0.81 0.34 -0.19 -0.59 -2.12 0.00 0.00 175.29 173.55 2ajs s PHE 78 N -0.74 2.11 0.07 0.91 -0.71 -0.65 -0.70 117.98 118.27 2ajs s PHE 78 Ca 0.06 -0.40 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 2ajs s PHE 78 Cb -0.08 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.75 2ajs s PHE 78 CO 0.01 0.58 -0.14 -0.06 -1.34 0.00 0.00 175.22 174.27 2ajs s PHE 79 N -2.52 1.24 -0.13 3.49 0.08 0.37 -0.28 117.98 120.23 2ajs s PHE 79 Ca 0.26 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2ajs s PHE 79 Cb -0.04 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 2ajs s PHE 79 CO 0.12 0.06 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.94 2ajs s LEU 80 N -1.78 2.27 -0.11 -0.37 2.96 -0.36 -2.56 118.68 118.72 2ajs s LEU 80 Ca -0.01 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2ajs s LEU 80 Cb -0.10 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2ajs s LEU 80 CO 0.02 0.12 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.40 2ajs s GLN 81 N 0.61 3.20 -0.18 1.98 0.74 -0.12 -0.72 119.66 125.17 2ajs s GLN 81 Ca -0.11 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 2ajs s GLN 81 Cb -0.16 -2.45 0.05 0.00 1.10 0.00 0.00 33.01 31.54 2ajs s GLN 81 CO 0.03 0.19 -0.02 -1.17 -0.55 0.00 0.00 175.29 173.77 2ajs s LEU 82 N 0.36 1.53 0.55 3.68 2.96 0.31 -1.20 118.68 126.87 2ajs s LEU 82 Ca -0.15 -0.75 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 2ajs s LEU 82 Cb -0.17 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 2ajs s LEU 82 CO 0.07 -0.24 0.85 0.20 -1.32 0.00 0.00 176.35 175.92 2ajs s ASN 82 N 1.70 5.78 -1.34 3.68 0.01 0.57 -0.01 114.94 125.33 2ajs s ASN 82 Ca -0.01 0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 52.85 2ajs s ASN 82 Cb -0.16 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.67 2ajs s ASN 82 CO -0.07 -0.91 0.56 -1.20 -1.51 0.00 0.00 177.10 173.96 2ajs n SER 82 N -2.46 -1.17 -4.78 -1.22 7.64 -0.98 -4.88 113.62 105.77 2ajs n SER 82 Ca 0.03 -0.94 -0.34 0.00 1.01 0.00 0.00 58.87 58.63 2ajs n SER 82 Cb 0.57 -3.46 0.01 0.00 -1.01 0.00 0.00 64.21 60.32 2ajs n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ajs s VAL 82 N -3.80 3.28 0.40 0.44 -7.23 -0.57 -4.60 120.40 108.31 2ajs s VAL 82 Ca 0.05 0.73 0.03 0.00 -1.81 0.00 0.00 61.98 60.99 2ajs s VAL 82 Cb -0.02 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 2ajs s VAL 82 CO 0.86 -0.24 0.09 0.42 -0.31 0.00 0.00 175.10 175.92 2ajs s THR 83 N -1.98 0.90 0.60 5.32 -4.23 -1.26 0.46 115.64 115.44 2ajs s THR 83 Ca 0.70 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.50 2ajs s THR 83 Cb -0.22 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.52 2ajs s THR 83 CO 0.31 0.00 2.00 0.71 -0.54 0.00 0.00 174.62 177.10 2ajs h THR 84 N 1.81 0.37 0.00 3.99 1.35 -1.98 0.09 112.91 118.53 2ajs h THR 84 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2ajs h THR 84 Cb 1.27 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2ajs h THR 84 CO 0.64 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.29 2ajs n GLU 85 N -3.65 0.03 0.00 4.72 1.02 -1.26 -1.96 120.64 119.54 2ajs n GLU 85 Ca 0.04 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.67 2ajs n GLU 85 Cb 0.46 -1.57 0.26 0.00 -0.02 0.00 0.00 31.44 30.57 2ajs n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ajs n ASP 86 N -1.64 2.22 -4.68 1.62 8.00 0.02 -4.88 116.55 117.21 2ajs n ASP 86 Ca 0.02 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 2ajs n ASP 86 Cb 0.12 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2ajs n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ajs s THR 87 N -2.08 2.70 -0.01 -3.53 2.01 -0.83 -4.83 115.64 109.07 2ajs s THR 87 Ca 0.30 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2ajs s THR 87 Cb 0.20 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.81 2ajs s THR 87 CO 0.36 -0.00 1.20 0.00 -0.69 0.00 0.00 174.62 175.48 2ajs s ALA 88 N 3.40 -2.09 -0.19 7.40 0.00 -0.58 -4.40 121.76 125.30 2ajs s ALA 88 Ca 0.84 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.36 2ajs s ALA 88 Cb -0.45 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2ajs s ALA 88 CO 0.38 -0.97 0.47 0.99 0.00 0.00 0.00 175.76 176.64 2ajs s THR 89 N -2.61 5.15 -0.19 0.00 2.01 -0.25 -0.80 115.64 118.94 2ajs s THR 89 Ca 0.13 0.87 -0.09 0.00 0.31 0.00 0.00 61.69 62.90 2ajs s THR 89 Cb 0.03 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2ajs s THR 89 CO -0.03 0.22 0.11 -0.31 -0.69 0.00 0.00 174.62 173.92 2ajs s TYR 90 N 1.41 3.37 -0.02 4.92 1.51 0.33 -0.30 117.35 128.57 2ajs s TYR 90 Ca 0.22 0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.63 2ajs s TYR 90 Cb -0.15 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2ajs s TYR 90 CO 0.09 0.26 -0.24 0.71 -1.11 0.00 0.00 175.55 175.27 2ajs s TYR 91 N 0.33 2.12 0.08 2.71 2.02 0.70 -0.80 117.35 124.51 2ajs s TYR 91 Ca 0.07 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2ajs s TYR 91 Cb -0.11 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 2ajs s TYR 91 CO -0.01 -0.04 0.19 0.00 -1.57 0.00 0.00 175.55 174.12 2ajs s ALA 93 N -1.52 -0.88 -0.41 0.00 0.00 -0.22 -0.92 121.76 117.81 2ajs s ALA 93 Ca 0.34 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2ajs s ALA 93 Cb -0.12 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2ajs s ALA 93 CO 0.27 -0.40 0.27 0.50 0.00 0.00 0.00 175.76 176.39 2ajs s ARG 94 N -2.21 2.81 -0.16 0.00 3.52 -0.63 -0.58 118.95 121.70 2ajs s ARG 94 Ca -0.07 -1.22 -0.13 0.00 -0.13 0.00 0.00 55.73 54.18 2ajs s ARG 94 Cb -0.02 -3.85 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 2ajs s ARG 94 CO -0.01 -0.83 0.26 0.71 -0.81 0.00 0.00 175.30 174.62 2ajs s TYR 95 N 1.55 3.47 0.85 5.12 1.51 -0.38 -4.18 117.35 125.29 2ajs s TYR 95 Ca 0.03 0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 56.52 2ajs s TYR 95 Cb -0.21 -2.28 0.11 0.00 -0.11 0.00 0.00 41.96 39.47 2ajs s TYR 95 CO 0.06 0.30 1.21 0.16 -1.11 0.00 0.00 175.55 176.16 2ajs s ASP 96 N 0.29 4.13 0.03 2.29 1.47 0.02 0.03 116.67 124.94 2ajs s ASP 96 Ca 0.15 0.68 0.14 0.00 1.18 0.00 0.00 52.55 54.70 2ajs s ASP 96 Cb -0.13 -1.07 0.60 0.00 -0.34 0.00 0.00 42.92 41.98 2ajs s ASP 96 CO 0.03 -2.13 1.44 -1.22 0.68 0.00 0.00 175.17 173.97 2ajs n TYR 97 N -3.45 0.10 0.94 2.11 4.01 -1.26 -1.67 117.16 117.93 2ajs n TYR 97 Ca 0.10 0.04 0.12 0.00 -0.16 0.00 0.00 57.90 57.99 2ajs n TYR 97 Cb 0.61 -0.56 0.11 0.00 -0.31 0.00 0.00 39.34 39.19 2ajs n TYR 97 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ajs n TYR 98 N -1.59 0.05 0.00 -0.72 4.01 -1.26 -4.96 117.16 112.69 2ajs n TYR 98 Ca 0.03 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ajs n TYR 98 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 2ajs n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ajs n GLY 99 N 1.37 0.45 3.67 2.72 0.00 -0.67 -5.06 105.19 107.66 2ajs n GLY 99 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2ajs n GLY 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ajs s ASN 100 N -2.64 7.06 -0.00 1.61 2.47 -1.26 -4.77 114.94 117.41 2ajs s ASN 100 Ca 0.00 1.54 0.13 0.00 0.42 0.00 0.00 52.86 54.95 2ajs s ASN 100 Cb 0.00 -2.54 -0.16 0.00 -1.45 0.00 0.00 41.25 37.10 2ajs s ASN 100 CO 0.00 -0.66 0.48 0.35 -3.72 0.00 0.00 177.10 173.55 2ajs n THR 100 N 5.17 0.00 -1.32 -5.21 -2.24 -1.26 -0.80 114.28 108.63 2ajs n THR 100 Ca 0.12 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2ajs n THR 100 Cb 0.46 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2ajs n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ajs n GLY 100 N 1.42 2.02 1.85 3.38 0.00 -1.26 -1.09 105.19 111.51 2ajs n GLY 100 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2ajs n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ajs n ASP 101 N -0.36 3.74 -3.64 1.61 5.68 -1.26 -4.78 116.55 117.54 2ajs n ASP 101 Ca 0.00 -3.52 -0.41 0.00 -0.50 0.00 0.00 54.79 50.36 2ajs n ASP 101 Cb 0.00 -0.75 -0.01 0.00 -1.14 0.00 0.00 41.12 39.22 2ajs n ASP 101 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2ajs n TYR 102 N -0.85 2.99 -4.48 2.11 4.01 -0.25 -4.84 117.16 115.87 2ajs n TYR 102 Ca 0.47 -2.93 -0.28 0.00 -0.16 0.00 0.00 57.90 55.00 2ajs n TYR 102 Cb 1.41 -2.27 -0.13 0.00 -0.31 0.00 0.00 39.34 38.03 2ajs n TYR 102 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ajs s TRP 103 N 1.58 2.16 1.15 -0.72 0.52 -1.26 -1.60 118.94 120.77 2ajs s TRP 103 Ca 0.51 -0.39 -0.16 0.00 0.02 0.00 0.00 56.10 56.07 2ajs s TRP 103 Cb 0.14 -1.20 0.26 0.00 -1.15 0.00 0.00 33.47 31.52 2ajs s TRP 103 CO -0.06 0.25 1.08 0.20 0.02 0.00 0.00 176.95 178.44 2ajs s GLY 104 N -1.81 1.55 0.12 0.98 0.00 -0.10 -4.62 107.32 103.44 2ajs s GLY 104 Ca 0.11 -0.64 0.25 0.00 0.00 0.00 0.00 44.72 44.45 2ajs s GLY 104 CO 0.05 0.14 1.78 -1.06 0.00 0.00 0.00 173.10 174.01 2ajs n GLN 105 N -4.65 0.14 0.00 2.90 6.02 -1.26 -4.85 117.38 115.68 2ajs n GLN 105 Ca 0.09 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2ajs n GLN 105 Cb 0.58 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.16 2ajs n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ajs n GLY 106 N 1.04 -0.26 2.98 1.08 0.00 -1.26 -5.04 105.19 103.73 2ajs n GLY 106 Ca 0.05 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2ajs n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ajs s THR 107 N -2.99 0.81 0.04 2.61 -1.32 0.02 -4.88 115.64 109.93 2ajs s THR 107 Ca 0.00 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.84 2ajs s THR 107 Cb 0.00 -0.75 -0.05 0.00 -1.51 0.00 0.00 72.50 70.19 2ajs s THR 107 CO 0.00 0.27 1.08 -0.55 -2.21 0.00 0.00 174.62 173.21 2ajs s SER 108 N 0.45 7.24 -0.14 8.08 0.15 -1.26 -0.51 113.70 127.71 2ajs s SER 108 Ca -0.08 1.85 0.01 0.00 0.70 0.00 0.00 55.95 58.43 2ajs s SER 108 Cb -0.12 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2ajs s SER 108 CO 0.01 -0.34 -0.16 -0.69 1.20 0.00 0.00 173.24 173.26 2ajs s VAL 109 N 0.92 1.63 -0.16 4.45 1.01 0.02 -4.33 120.40 123.95 2ajs s VAL 109 Ca 0.55 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2ajs s VAL 109 Cb -0.25 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2ajs s VAL 109 CO 0.29 0.47 0.02 -0.89 0.00 0.00 0.00 175.10 174.99 2ajs s THR 110 N 1.22 4.46 -0.32 3.92 2.01 0.25 -1.52 115.64 125.67 2ajs s THR 110 Ca -0.00 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 2ajs s THR 110 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2ajs s THR 110 CO -0.07 0.49 0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 2ajs s VAL 111 N 0.20 4.40 -0.03 3.82 1.01 -1.26 -1.32 120.40 127.22 2ajs s VAL 111 Ca 0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2ajs s VAL 111 Cb -0.13 -3.30 0.09 0.00 0.00 0.00 0.00 36.38 33.04 2ajs s VAL 111 CO 0.01 -0.00 0.79 -0.55 0.00 0.00 0.00 175.10 175.35 2ajs s SER 112 N 1.56 -0.51 0.03 3.32 0.15 -0.73 -4.39 113.70 113.13 2ajs s SER 112 Ca 0.03 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.29 2ajs s SER 112 Cb -0.18 0.46 0.48 0.00 -1.71 0.00 0.00 66.02 65.07 2ajs s SER 112 CO 0.05 -0.61 1.40 -1.20 1.20 0.00 0.00 173.24 174.07 2ajs n SER 113 N 0.38 0.53 -4.71 5.45 7.64 -1.26 -4.06 113.62 117.58 2ajs n SER 113 Ca -0.14 -0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.29 2ajs n SER 113 Cb 0.60 0.23 0.13 0.00 -1.01 0.00 0.00 64.21 64.16 2ajs n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ajs s ALA 114 N -3.04 1.68 0.04 -0.43 0.00 -1.26 -5.02 121.76 113.72 2ajs s ALA 114 Ca 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 2ajs s ALA 114 Cb 0.17 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2ajs s ALA 114 CO 0.70 -2.30 0.19 0.15 0.00 0.00 0.00 175.76 174.50 2ajs s LYS 115 N -4.83 3.41 0.07 0.00 -0.14 -1.26 -5.04 119.74 111.95 2ajs s LYS 115 Ca 0.63 -0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.52 2ajs s LYS 115 Cb -0.19 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 2ajs s LYS 115 CO 0.57 0.63 1.79 0.99 -0.76 0.00 0.00 175.35 178.57 2ajs s THR 116 N -1.44 2.87 -0.06 2.17 2.01 -1.26 -4.72 115.64 115.21 2ajs s THR 116 Ca 0.32 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2ajs s THR 116 Cb -0.13 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2ajs s THR 116 CO 0.25 -0.01 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.14 2ajs s THR 117 N 3.18 1.25 0.46 -0.82 2.01 -0.07 -4.95 115.64 116.71 2ajs s THR 117 Ca 0.80 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 2ajs s THR 117 Cb -0.42 -1.12 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 2ajs s THR 117 CO 0.36 0.38 0.99 -2.16 -0.69 0.00 0.00 174.62 173.50 2ajs s PRO 118 N 0.46 4.00 0.48 4.92 0.04 -1.26 -1.80 135.00 141.84 2ajs s PRO 118 Ca -0.12 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 2ajs s PRO 118 Cb -0.14 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2ajs s PRO 118 CO 0.04 -0.24 1.00 -1.25 0.04 0.00 0.00 177.00 176.58 2ajs s PRO 119 N -3.26 3.93 -0.13 0.56 0.04 -1.26 -4.48 135.00 130.40 2ajs s PRO 119 Ca 0.64 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 2ajs s PRO 119 Cb -0.13 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2ajs s PRO 119 CO 0.17 -0.30 0.29 -1.54 0.04 0.00 0.00 177.00 175.66 2ajs s SER 120 N -2.34 6.48 -0.18 6.66 1.04 -0.25 -4.90 113.70 120.22 2ajs s SER 120 Ca 0.63 0.57 -0.05 0.00 0.48 0.00 0.00 55.95 57.58 2ajs s SER 120 Cb -0.12 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 2ajs s SER 120 CO 0.21 0.17 -0.00 -0.69 0.98 0.00 0.00 173.24 173.92 2ajs s VAL 121 N 0.04 4.12 -0.04 5.02 1.01 -1.26 -0.89 120.40 128.41 2ajs s VAL 121 Ca 0.17 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2ajs s VAL 121 Cb -0.13 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2ajs s VAL 121 CO 0.05 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.11 2ajs s TYR 122 N 0.58 1.87 0.38 5.22 2.02 -0.10 -4.98 117.35 122.34 2ajs s TYR 122 Ca -0.01 -0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 2ajs s TYR 122 Cb -0.14 -1.23 -0.09 0.00 -0.40 0.00 0.00 41.96 40.10 2ajs s TYR 122 CO 0.02 -0.13 1.09 -1.25 -1.57 0.00 0.00 175.55 173.72 2ajs s PRO 123 N -0.18 4.23 -0.38 -1.71 0.04 -1.26 -0.88 135.00 134.86 2ajs s PRO 123 Ca 0.00 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 2ajs s PRO 123 Cb -0.11 -2.71 0.10 0.00 0.04 0.00 0.00 34.50 31.83 2ajs s PRO 123 CO 0.01 -0.12 0.14 -0.51 0.04 0.00 0.00 177.00 176.57 2ajs s LEU 124 N -2.36 4.99 0.31 -3.56 1.43 0.28 -4.85 118.68 114.93 2ajs s LEU 124 Ca 0.55 -1.98 0.07 0.00 -1.03 0.00 0.00 54.13 51.74 2ajs s LEU 124 Cb -0.26 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2ajs s LEU 124 CO 0.33 -0.47 0.30 0.00 0.23 0.00 0.00 176.35 176.74 2ajs s ALA 125 N 1.10 3.85 0.36 4.21 0.00 -1.26 -1.90 121.76 128.11 2ajs s ALA 125 Ca 0.07 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.22 2ajs s ALA 125 Cb -0.22 -1.30 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 2ajs s ALA 125 CO -0.05 0.06 1.01 -1.25 0.00 0.00 0.00 175.76 175.54 2ajs s PRO 126 N -3.99 4.39 0.12 0.00 0.04 -1.26 -4.98 135.00 129.31 2ajs s PRO 126 Ca 0.40 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2ajs s PRO 126 Cb -0.07 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2ajs s PRO 126 CO 0.27 0.07 1.71 0.78 0.04 0.00 0.00 177.00 179.87 2ajs h GLY 127 N 2.90 0.13 0.00 0.56 0.00 -1.99 -3.41 103.07 101.26 2ajs h GLY 127 Ca -0.47 0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ajs h GLY 127 CO 0.64 -0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.82 2ajs n THR 128 N -5.18 0.00 -4.05 4.70 -2.24 -1.26 -4.86 114.28 101.39 2ajs n THR 128 Ca -0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 2ajs n THR 128 Cb 0.11 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 2ajs n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ajs s ALA 129 N -2.00 3.68 0.35 6.98 0.00 -1.26 -5.00 121.76 124.51 2ajs s ALA 129 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.32 2ajs s ALA 129 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 2ajs s ALA 129 CO 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 175.76 176.35 2ajs s ALA 130 N -1.04 3.08 -0.29 0.00 0.00 -1.26 -5.08 121.76 117.17 2ajs s ALA 130 Ca 0.17 -2.07 -0.38 0.00 0.00 0.00 0.00 51.96 49.68 2ajs s ALA 130 Cb -0.12 -0.15 -0.17 0.00 0.00 0.00 0.00 23.12 22.69 2ajs s ALA 130 CO 0.06 0.05 1.21 1.47 0.00 0.00 0.00 175.76 178.55 2ajs n LEU 133 N -0.88 0.71 -4.95 0.00 -0.00 -1.26 -4.97 117.00 105.64 2ajs n LEU 133 Ca -0.05 0.99 -0.28 0.00 -0.00 0.00 0.00 56.01 56.67 2ajs n LEU 133 Cb 0.63 -0.75 0.17 0.00 -0.00 0.00 0.00 43.42 43.48 2ajs n LEU 133 CO 0.44 -0.97 0.79 -0.54 -0.00 0.00 0.00 177.39 177.12 2ajs s LYS 134 N 1.77 0.85 -1.56 1.47 1.02 -1.26 -4.21 119.74 117.81 2ajs s LYS 134 Ca 0.84 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 2ajs s LYS 134 Cb -1.20 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2ajs s LYS 134 CO 0.62 -2.20 0.44 0.45 -0.92 0.00 0.00 175.35 173.74 2ajs n SER 135 N -3.54 -0.95 0.00 2.83 2.88 -1.26 -4.85 113.62 108.73 2ajs n SER 135 Ca 0.16 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2ajs n SER 135 Cb 0.60 -2.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.55 2ajs n SER 135 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ajs n SER 136 N -2.83 0.00 -4.58 -3.46 3.41 -1.26 -5.01 113.62 99.89 2ajs n SER 136 Ca -0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.15 2ajs n SER 136 Cb 0.62 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 2ajs n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2ajs s MET 137 N 1.97 2.12 -0.04 4.33 -1.94 -1.26 -0.60 119.30 123.88 2ajs s MET 137 Ca 0.00 -1.09 0.04 0.00 -1.71 0.00 0.00 55.69 52.93 2ajs s MET 137 Cb 0.00 -2.27 -0.00 0.00 2.01 0.00 0.00 34.83 34.57 2ajs s MET 137 CO 0.00 0.49 -0.16 0.54 -0.01 0.00 0.00 175.02 175.88 2ajs s VAL 138 N -1.36 1.33 -0.16 -6.03 0.11 0.59 -4.67 120.40 110.22 2ajs s VAL 138 Ca 0.23 -0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 58.54 2ajs s VAL 138 Cb -0.10 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2ajs s VAL 138 CO 0.14 0.39 0.09 -0.89 -3.33 0.00 0.00 175.10 171.50 2ajs s THR 139 N 0.05 5.04 0.33 5.04 2.01 -1.26 -1.30 115.64 125.54 2ajs s THR 139 Ca -0.04 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.06 2ajs s THR 139 Cb -0.11 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 2ajs s THR 139 CO 0.02 0.52 0.02 -0.76 -0.69 0.00 0.00 174.62 173.73 2ajs s LEU 140 N -0.17 2.38 0.37 4.42 1.43 0.60 -4.68 118.68 123.03 2ajs s LEU 140 Ca 0.09 -1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 51.72 2ajs s LEU 140 Cb -0.12 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.60 2ajs s LEU 140 CO 0.01 -0.51 0.71 -0.83 0.23 0.00 0.00 176.35 175.96 2ajs s GLY 141 N -3.51 0.56 -0.02 -3.19 0.00 -0.80 -0.38 107.32 99.99 2ajs s GLY 141 Ca 0.34 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2ajs s GLY 141 CO 0.15 -0.44 0.04 0.00 0.00 0.00 0.00 173.10 172.85 2ajs s LEU 143 N 0.29 3.64 -0.42 0.00 2.96 -0.06 -0.95 118.68 124.14 2ajs s LEU 143 Ca -0.02 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 2ajs s LEU 143 Cb -0.03 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.81 2ajs s LEU 143 CO -0.01 -0.09 0.26 -0.69 -1.32 0.00 0.00 176.35 174.50 2ajs s VAL 144 N 1.60 4.02 -0.06 1.68 1.01 0.91 -0.92 120.40 128.63 2ajs s VAL 144 Ca 0.05 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.50 2ajs s VAL 144 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2ajs s VAL 144 CO 0.04 -0.57 -0.21 -0.75 0.00 0.00 0.00 175.10 173.61 2ajs s LYS 145 N 1.36 2.62 -0.26 2.72 2.20 -0.07 -0.89 119.74 127.43 2ajs s LYS 145 Ca 0.04 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2ajs s LYS 145 Cb -0.23 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2ajs s LYS 145 CO 0.00 0.43 0.23 0.41 -0.36 0.00 0.00 175.35 176.06 2ajs n GLY 146 N 2.84 0.51 3.65 5.54 0.00 -0.32 -1.09 105.19 116.32 2ajs n GLY 146 Ca -0.17 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2ajs n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ajs s TYR 147 N -3.07 2.70 -0.27 1.61 1.13 -0.81 -4.42 117.35 114.23 2ajs s TYR 147 Ca 0.08 -0.22 -0.24 0.00 -1.41 0.00 0.00 57.07 55.27 2ajs s TYR 147 Cb -0.03 -1.20 0.07 0.00 -1.10 0.00 0.00 41.96 39.70 2ajs s TYR 147 CO 0.15 0.62 0.73 0.12 -2.51 0.00 0.00 175.55 174.66 2ajs s PHE 148 N -2.31 -0.80 0.28 -3.49 5.36 -0.74 0.05 117.98 116.32 2ajs s PHE 148 Ca 0.31 1.92 -0.02 0.00 -0.96 0.00 0.00 56.93 58.18 2ajs s PHE 148 Cb -0.06 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.98 2ajs s PHE 148 CO 0.20 -0.39 0.38 -0.35 -1.46 0.00 0.00 175.22 173.60 2ajs n PRO 149 N 2.81 0.06 -1.76 10.12 -0.04 -1.26 -0.89 135.00 144.04 2ajs n PRO 149 Ca -0.14 -0.84 -0.35 0.00 -0.04 0.00 0.00 63.50 62.13 2ajs n PRO 149 Cb 0.55 -0.32 0.06 0.00 -0.04 0.00 0.00 33.50 33.76 2ajs n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ajs s GLU 150 N -3.57 2.62 0.49 0.54 0.41 -1.26 -4.77 118.70 113.16 2ajs s GLU 150 Ca 0.24 1.78 0.05 0.00 -0.41 0.00 0.00 54.97 56.63 2ajs s GLU 150 Cb -0.01 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.44 2ajs s GLU 150 CO 0.16 -1.47 0.20 -1.25 -0.49 0.00 0.00 175.26 172.41 2ajs s PRO 151 N -3.62 2.22 0.12 0.39 0.04 -1.26 -4.89 135.00 128.00 2ajs s PRO 151 Ca 0.76 -2.10 0.10 0.00 0.04 0.00 0.00 61.00 59.80 2ajs s PRO 151 Cb -0.30 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2ajs s PRO 151 CO 0.39 -0.38 -0.22 0.08 0.04 0.00 0.00 177.00 176.90 2ajs s VAL 152 N -2.76 2.58 -0.13 -0.36 1.01 -1.26 -4.40 120.40 115.09 2ajs s VAL 152 Ca 0.27 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.63 2ajs s VAL 152 Cb 0.01 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2ajs s VAL 152 CO 0.16 0.09 -0.15 0.42 0.00 0.00 0.00 175.10 175.62 2ajs s THR 153 N -1.11 2.85 -0.15 3.92 -4.23 -0.51 -4.97 115.64 111.44 2ajs s THR 153 Ca 0.16 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2ajs s THR 153 Cb -0.10 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2ajs s THR 153 CO 0.08 0.53 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.88 2ajs s VAL 154 N 0.39 3.02 0.41 2.29 1.01 -1.26 -1.46 120.40 124.81 2ajs s VAL 154 Ca -0.12 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2ajs s VAL 154 Cb -0.16 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2ajs s VAL 154 CO 0.06 0.51 0.03 0.42 0.00 0.00 0.00 175.10 176.12 2ajs s THR 156 N 0.65 1.48 -0.03 3.92 -4.23 -0.51 -4.98 115.64 111.93 2ajs s THR 156 Ca -0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 2ajs s THR 156 Cb -0.15 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 2ajs s THR 156 CO 0.03 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.22 2ajs s TRP 157 N -2.95 1.39 -1.47 3.99 0.52 -1.26 -0.89 118.94 118.28 2ajs s TRP 157 Ca 0.28 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 2ajs s TRP 157 Cb 0.07 -0.94 0.01 0.00 -1.15 0.00 0.00 33.47 31.46 2ajs s TRP 157 CO 0.14 -0.12 0.18 0.09 0.02 0.00 0.00 176.95 177.27 2ajs n ASN 162 N 3.11 -0.22 -4.23 2.95 3.02 0.26 -1.19 115.26 118.96 2ajs n ASN 162 Ca -0.17 -1.25 -0.33 0.00 -0.03 0.00 0.00 54.58 52.80 2ajs n ASN 162 Cb 0.54 -1.79 -0.06 0.00 -0.61 0.00 0.00 39.78 37.86 2ajs n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ajs n SER 163 N -2.76 -0.97 0.00 6.41 7.64 -1.26 -1.19 113.62 121.49 2ajs n SER 163 Ca -0.28 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2ajs n SER 163 Cb 0.67 -2.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 2ajs n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ajs n GLY 164 N -1.85 2.71 0.24 0.23 0.00 -0.33 -4.90 105.19 101.28 2ajs n GLY 164 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 2ajs n GLY 164 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ajs h SER 165 N 0.00 0.00 -3.27 1.61 0.87 -1.02 -3.34 113.55 108.39 2ajs h SER 165 Ca 0.00 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.83 2ajs h SER 165 Cb 0.00 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 61.68 2ajs h SER 165 CO 0.00 0.11 -0.36 -0.22 -0.53 0.00 0.00 176.83 175.82 2ajs s LEU 166 N -8.74 5.73 -0.09 2.23 1.98 -0.92 -4.89 118.68 113.98 2ajs s LEU 166 Ca -0.04 -1.82 -0.00 0.00 -2.89 0.00 0.00 54.13 49.37 2ajs s LEU 166 Cb 0.16 -2.05 -0.06 0.00 0.66 0.00 0.00 46.19 44.90 2ajs s LEU 166 CO 0.68 -0.71 -0.09 -1.54 -1.89 0.00 0.00 176.35 172.81 2ajs n SER 167 N 4.99 2.87 -4.80 3.68 3.41 -1.26 -4.09 113.62 118.42 2ajs n SER 167 Ca -0.09 -0.02 -0.33 0.00 -0.26 0.00 0.00 58.87 58.16 2ajs n SER 167 Cb 0.41 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 2ajs n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ajs s SER 168 N -5.03 6.06 -0.67 4.04 1.04 -1.26 -3.81 113.70 114.06 2ajs s SER 168 Ca -0.12 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2ajs s SER 168 Cb 0.03 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ajs s SER 168 CO 0.20 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2ajs n GLY 169 N -0.57 0.83 3.81 7.32 0.00 -1.26 -4.75 105.19 110.57 2ajs n GLY 169 Ca 0.09 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2ajs n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ajs s VAL 171 N -2.07 5.24 -0.21 1.61 0.11 -1.25 -1.29 120.40 122.53 2ajs s VAL 171 Ca 0.00 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2ajs s VAL 171 Cb 0.00 -3.29 0.05 0.00 -1.53 0.00 0.00 36.38 31.61 2ajs s VAL 171 CO 0.00 0.58 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.30 2ajs s HIS 172 N -0.73 2.13 -0.31 1.54 3.76 -0.27 -4.99 115.29 116.43 2ajs s HIS 172 Ca 0.13 -1.50 -0.10 0.00 -0.15 0.00 0.00 55.06 53.43 2ajs s HIS 172 Cb -0.12 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 2ajs s HIS 172 CO 0.03 -0.72 0.17 0.99 -0.85 0.00 0.00 174.74 174.35 2ajs s THR 173 N 1.49 4.81 0.37 1.30 2.01 -1.26 -0.53 115.64 123.82 2ajs s THR 173 Ca -0.03 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 2ajs s THR 173 Cb -0.17 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 2ajs s THR 173 CO -0.07 0.11 0.82 -0.36 -0.69 0.00 0.00 174.62 174.43 2ajs s PHE 174 N 1.66 3.35 0.37 4.92 0.40 -0.68 -5.02 117.98 122.98 2ajs s PHE 174 Ca 0.05 1.37 -0.28 0.00 -0.60 0.00 0.00 56.93 57.47 2ajs s PHE 174 Cb -0.17 -2.65 -0.11 0.00 0.51 0.00 0.00 43.02 40.59 2ajs s PHE 174 CO 0.07 0.01 1.45 -2.30 0.70 0.00 0.00 175.22 175.15 2ajs n PRO 175 N -0.49 2.56 -1.96 0.24 -0.02 -1.26 -4.49 135.00 129.58 2ajs n PRO 175 Ca 0.05 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.08 2ajs n PRO 175 Cb 0.53 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2ajs n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ajs s ALA 176 N -1.08 2.52 -0.07 3.55 0.00 -1.26 -4.84 121.76 120.57 2ajs s ALA 176 Ca 0.54 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.40 2ajs s ALA 176 Cb -0.50 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 2ajs s ALA 176 CO 0.63 -1.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.16 2ajs s VAL 177 N -1.81 3.11 -0.21 0.00 1.01 0.13 -4.91 120.40 117.72 2ajs s VAL 177 Ca 0.74 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 2ajs s VAL 177 Cb -0.27 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2ajs s VAL 177 CO 0.34 0.58 0.15 -0.22 0.00 0.00 0.00 175.10 175.95 2ajs s LEU 178 N -0.47 4.18 -0.15 3.92 2.96 -1.26 -1.04 118.68 126.81 2ajs s LEU 178 Ca 0.06 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2ajs s LEU 178 Cb -0.12 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.53 2ajs s LEU 178 CO 0.02 0.13 0.19 -1.58 -1.32 0.00 0.00 176.35 173.79 2ajs s GLN 179 N 0.63 0.12 -1.24 1.98 0.74 0.42 -4.92 119.66 117.38 2ajs s GLN 179 Ca 0.08 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.85 2ajs s GLN 179 Cb -0.12 -0.80 -0.00 0.00 1.10 0.00 0.00 33.01 33.18 2ajs s GLN 179 CO 0.01 -0.49 0.86 0.43 -0.55 0.00 0.00 175.29 175.55 2ajs n SER 180 N 5.32 -1.90 -1.21 6.67 7.64 -1.26 -1.76 113.62 127.13 2ajs n SER 180 Ca -0.05 -0.72 -0.16 0.00 1.01 0.00 0.00 58.87 58.95 2ajs n SER 180 Cb 0.50 -4.65 -0.07 0.00 -1.01 0.00 0.00 64.21 58.98 2ajs n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ajs n ASP 183 N -3.10 -5.52 -4.10 6.43 8.00 -1.26 -4.98 116.55 112.02 2ajs n ASP 183 Ca -0.28 0.39 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 2ajs n ASP 183 Cb 0.67 -4.41 -0.15 0.00 -0.02 0.00 0.00 41.12 37.21 2ajs n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ajs s LEU 184 N -3.60 2.03 0.05 0.64 1.43 -0.72 -4.72 118.68 113.79 2ajs s LEU 184 Ca 0.00 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2ajs s LEU 184 Cb 0.00 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 2ajs s LEU 184 CO 0.00 0.17 0.26 -0.31 0.23 0.00 0.00 176.35 176.70 2ajs s TYR 185 N -0.32 3.53 -0.02 0.29 2.02 0.11 -0.44 117.35 122.52 2ajs s TYR 185 Ca 0.05 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.21 2ajs s TYR 185 Cb -0.05 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2ajs s TYR 185 CO -0.01 0.57 -0.08 0.99 -1.57 0.00 0.00 175.55 175.46 2ajs s THR 186 N -1.44 0.65 0.04 -0.71 2.01 -0.21 -1.18 115.64 114.81 2ajs s THR 186 Ca 0.33 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2ajs s THR 186 Cb -0.13 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2ajs s THR 186 CO 0.22 0.20 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.08 2ajs s LEU 187 N 0.12 2.30 0.13 4.42 0.20 -0.06 -0.69 118.68 125.10 2ajs s LEU 187 Ca -0.01 -0.63 0.09 0.00 0.69 0.00 0.00 54.13 54.26 2ajs s LEU 187 Cb -0.07 -0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.63 2ajs s LEU 187 CO 0.00 -0.30 -0.20 0.42 -0.29 0.00 0.00 176.35 175.97 2ajs s THR 188 N -1.90 1.82 -0.03 3.68 -4.23 -1.26 -0.06 115.64 113.65 2ajs s THR 188 Ca -0.08 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2ajs s THR 188 Cb -0.07 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 72.04 2ajs s THR 188 CO -0.02 -0.16 -0.14 -0.55 -0.54 0.00 0.00 174.62 173.21 2ajs s SER 189 N -2.27 1.77 0.14 3.99 0.15 -0.12 -1.68 113.70 115.67 2ajs s SER 189 Ca 0.11 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.55 2ajs s SER 189 Cb -0.08 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 2ajs s SER 189 CO 0.06 0.13 -0.03 -0.94 1.20 0.00 0.00 173.24 173.66 2ajs s SER 190 N 0.00 4.71 -0.01 5.45 1.04 0.31 -0.93 113.70 124.27 2ajs s SER 190 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2ajs s SER 190 Cb -0.09 -1.00 0.01 0.00 0.10 0.00 0.00 66.02 65.04 2ajs s SER 190 CO 0.01 0.13 -0.00 0.54 0.98 0.00 0.00 173.24 174.90 2ajs s VAL 191 N -1.51 0.05 -0.12 5.02 0.11 0.49 -1.11 120.40 123.33 2ajs s VAL 191 Ca 0.25 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 2ajs s VAL 191 Cb -0.10 -0.09 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2ajs s VAL 191 CO 0.17 0.05 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.89 2ajs s THR 192 N 0.30 2.31 0.10 5.04 2.01 -0.41 -0.29 115.64 124.69 2ajs s THR 192 Ca -0.03 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2ajs s THR 192 Cb -0.04 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2ajs s THR 192 CO -0.01 0.55 -0.04 0.68 -0.69 0.00 0.00 174.62 175.11 2ajs s VAL 193 N 0.52 0.53 0.23 3.82 -7.23 -0.42 -4.72 120.40 113.12 2ajs s VAL 193 Ca -0.13 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 2ajs s VAL 193 Cb -0.17 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 2ajs s VAL 193 CO 0.05 -0.80 1.64 -2.84 -0.31 0.00 0.00 175.10 172.84 2ajs s PRO 194 N -3.89 4.14 0.14 4.82 0.02 -1.26 -0.30 135.00 138.67 2ajs s PRO 194 Ca 0.14 2.55 0.10 0.00 0.02 0.00 0.00 61.00 63.81 2ajs s PRO 194 Cb 0.06 -3.07 0.53 0.00 0.02 0.00 0.00 34.50 32.04 2ajs s PRO 194 CO -0.04 -0.68 1.31 -1.13 -0.33 0.00 0.00 177.00 176.14 2ajs n SER 195 N 3.32 0.25 -0.13 2.53 3.41 0.23 -0.24 113.62 122.99 2ajs n SER 195 Ca 0.13 0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 59.24 2ajs n SER 195 Cb 0.37 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2ajs n SER 195 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ajs h SER 196 N 0.00 0.94 -0.47 4.04 0.87 -1.89 -3.28 113.55 113.76 2ajs h SER 196 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2ajs h SER 196 Cb 0.03 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2ajs h SER 196 CO 0.00 1.15 0.00 0.35 -0.53 0.00 0.00 176.83 177.80 2ajs n THR 199 N -4.09 0.62 -3.67 2.23 -2.24 0.66 -4.60 114.28 103.20 2ajs n THR 199 Ca -0.00 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 2ajs n THR 199 Cb 0.48 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 2ajs n THR 199 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2ajs s TRP 200 N -1.38 -0.76 -0.83 4.78 -0.00 -1.22 -1.94 118.94 117.60 2ajs s TRP 200 Ca 0.32 1.48 0.17 0.00 -0.00 0.00 0.00 56.10 58.07 2ajs s TRP 200 Cb 0.17 0.30 0.67 0.00 -0.00 0.00 0.00 33.47 34.61 2ajs s TRP 200 CO 0.22 -0.45 1.59 -0.35 -0.00 0.00 0.00 176.95 177.96 2ajs n PRO 202 N 5.10 3.75 -0.10 5.86 -0.04 -1.26 -4.76 135.00 143.54 2ajs n PRO 202 Ca -0.12 -2.86 -0.04 0.00 -0.04 0.00 0.00 63.50 60.44 2ajs n PRO 202 Cb 0.51 -1.89 0.17 0.00 -0.04 0.00 0.00 33.50 32.25 2ajs n PRO 202 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ajs h SER 203 N 3.56 0.74 -3.20 3.54 4.64 -1.81 -3.41 113.55 117.60 2ajs h SER 203 Ca 0.00 -0.18 -0.65 0.00 -0.47 0.00 0.00 61.79 60.49 2ajs h SER 203 Cb 1.48 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 63.27 2ajs h SER 203 CO 0.25 0.81 -0.60 -1.10 -0.87 0.00 0.00 176.83 175.32 2ajs s GLN 204 N -4.98 2.90 0.35 4.77 -1.52 -0.82 -5.10 119.66 115.26 2ajs s GLN 204 Ca -0.09 -0.62 -0.26 0.00 -1.95 0.00 0.00 55.36 52.44 2ajs s GLN 204 Cb 0.15 -2.75 -0.10 0.00 -0.22 0.00 0.00 33.01 30.09 2ajs s GLN 204 CO 0.81 0.60 1.00 0.95 -0.25 0.00 0.00 175.29 178.40 2ajs s THR 205 N -1.26 3.96 -0.14 -0.19 -4.23 -1.26 -4.47 115.64 108.05 2ajs s THR 205 Ca 0.25 1.62 -0.00 0.00 -1.18 0.00 0.00 61.69 62.37 2ajs s THR 205 Cb -0.12 -3.89 0.03 0.00 1.34 0.00 0.00 72.50 69.86 2ajs s THR 205 CO 0.17 0.12 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.61 2ajs s VAL 206 N -1.59 1.05 -0.02 2.29 1.01 -1.26 -4.99 120.40 116.90 2ajs s VAL 206 Ca 0.52 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2ajs s VAL 206 Cb -0.21 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2ajs s VAL 206 CO 0.27 0.26 -0.11 0.28 0.00 0.00 0.00 175.10 175.80 2ajs s THR 207 N 1.68 0.88 -0.06 3.92 -1.32 -1.26 -0.06 115.64 119.42 2ajs s THR 207 Ca 0.03 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 59.96 2ajs s THR 207 Cb -0.14 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2ajs s THR 207 CO -0.08 0.26 0.25 0.00 -2.21 0.00 0.00 174.62 172.84 2ajs s ASN 209 N -1.11 4.62 -0.14 0.00 -0.87 -0.07 -0.77 114.94 116.60 2ajs s ASN 209 Ca 0.19 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.75 2ajs s ASN 209 Cb -0.14 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.25 39.33 2ajs s ASN 209 CO 0.09 -0.14 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.64 2ajs s VAL 210 N 1.41 2.81 -0.02 1.60 1.01 0.96 -1.43 120.40 126.74 2ajs s VAL 210 Ca 0.02 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2ajs s VAL 210 Cb -0.16 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2ajs s VAL 210 CO -0.02 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.41 2ajs s ALA 211 N 0.56 1.63 -0.34 5.51 0.00 -0.53 -0.23 121.76 128.35 2ajs s ALA 211 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2ajs s ALA 211 Cb -0.16 -0.44 0.11 0.00 0.00 0.00 0.00 23.12 22.63 2ajs s ALA 211 CO 0.04 0.38 0.14 -1.58 0.00 0.00 0.00 175.76 174.73 2ajs s HIS 212 N -0.37 1.61 0.22 0.00 2.46 -0.56 -1.43 115.29 117.22 2ajs s HIS 212 Ca 0.05 -1.83 -0.08 0.00 0.47 0.00 0.00 55.06 53.67 2ajs s HIS 212 Cb -0.08 -1.64 0.18 0.00 -0.13 0.00 0.00 32.58 30.90 2ajs s HIS 212 CO -0.00 -0.85 1.84 -1.35 -2.47 0.00 0.00 174.74 171.91 2ajs h PRO 213 N 7.73 1.17 -0.96 2.88 0.11 -1.80 -1.55 132.00 139.57 2ajs h PRO 213 Ca -0.10 -0.14 0.19 0.00 0.11 0.00 0.00 66.00 66.06 2ajs h PRO 213 Cb 0.99 -0.23 -0.09 0.00 0.11 0.00 0.00 31.00 31.79 2ajs h PRO 213 CO 0.45 0.86 0.61 0.00 -0.21 0.00 0.00 178.00 179.71 2ajs h ALA 214 N 1.24 1.86 -0.46 -0.75 0.00 -1.92 -0.91 119.26 118.32 2ajs h ALA 214 Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ajs h ALA 214 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ajs h ALA 214 CO -0.05 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 2ajs n SER 215 N -4.64 3.32 -3.89 0.00 3.41 -1.07 -4.97 113.62 105.78 2ajs n SER 215 Ca 0.21 -1.95 -0.28 0.00 -0.26 0.00 0.00 58.87 56.58 2ajs n SER 215 Cb 0.59 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2ajs n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ajs n SER 216 N 1.12 -3.67 -4.86 4.04 7.64 -0.35 -4.97 113.62 112.57 2ajs n SER 216 Ca 0.17 -0.81 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 2ajs n SER 216 Cb 0.52 -3.82 -0.06 0.00 -1.01 0.00 0.00 64.21 59.84 2ajs n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ajs s THR 217 N -3.42 5.26 -0.35 0.44 2.01 -0.62 -4.99 115.64 113.97 2ajs s THR 217 Ca 0.48 0.51 0.04 0.00 0.31 0.00 0.00 61.69 63.03 2ajs s THR 217 Cb -0.24 -3.56 0.16 0.00 0.01 0.00 0.00 72.50 68.87 2ajs s THR 217 CO 0.83 0.58 0.44 -0.75 -0.69 0.00 0.00 174.62 175.04 2ajs s LYS 218 N -1.11 0.58 -0.08 4.92 2.36 -1.26 -1.50 119.74 123.66 2ajs s LYS 218 Ca 0.20 -0.33 0.03 0.00 -2.55 0.00 0.00 55.97 53.32 2ajs s LYS 218 Cb -0.14 -0.38 -0.02 0.00 -1.05 0.00 0.00 37.83 36.24 2ajs s LYS 218 CO 0.09 -1.13 -0.16 0.08 1.55 0.00 0.00 175.35 175.78 2ajs s VAL 219 N 1.97 2.82 -0.12 4.02 1.01 0.68 -4.96 120.40 125.82 2ajs s VAL 219 Ca 0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2ajs s VAL 219 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2ajs s VAL 219 CO -0.15 0.56 0.01 -1.81 0.00 0.00 0.00 175.10 173.72 2ajs s ASP 220 N -0.24 5.29 -0.20 3.32 1.01 -1.26 -0.02 116.67 124.56 2ajs s ASP 220 Ca 0.00 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 2ajs s ASP 220 Cb -0.13 -1.67 0.06 0.00 1.01 0.00 0.00 42.92 42.19 2ajs s ASP 220 CO 0.03 0.30 -0.02 -0.75 0.21 0.00 0.00 175.17 174.94 2ajs s LYS 221 N -0.38 1.20 0.07 8.23 2.47 0.05 -4.97 119.74 126.40 2ajs s LYS 221 Ca 0.08 -0.65 -0.30 0.00 -1.56 0.00 0.00 55.97 53.53 2ajs s LYS 221 Cb -0.12 -2.25 -0.05 0.00 -1.46 0.00 0.00 37.83 33.94 2ajs s LYS 221 CO 0.02 -0.57 1.08 0.21 0.16 0.00 0.00 175.35 176.25 2ajs s LYS 222 N 1.63 4.54 -0.45 4.03 2.20 -1.26 -1.35 119.74 129.08 2ajs s LYS 222 Ca -0.02 1.61 -0.23 0.00 -0.36 0.00 0.00 55.97 56.97 2ajs s LYS 222 Cb -0.17 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2ajs s LYS 222 CO -0.07 -0.07 0.80 0.42 -0.36 0.00 0.00 175.35 176.07 2ajs s ILE 223 N 0.66 4.63 -0.05 5.43 -1.09 0.91 -4.90 121.20 126.79 2ajs s ILE 223 Ca 0.53 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.44 2ajs s ILE 223 Cb -0.26 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 2ajs s ILE 223 CO 0.30 -0.74 -0.12 0.68 -1.23 0.00 0.00 174.94 173.83 2ajs s VAL 226 N 3.35 3.26 0.24 2.92 -7.23 -1.26 -4.54 120.40 117.13 2ajs s VAL 226 Ca 0.31 -0.69 -0.31 0.00 -1.81 0.00 0.00 61.98 59.48 2ajs s VAL 226 Cb -0.12 -2.31 -0.14 0.00 0.56 0.00 0.00 36.38 34.37 2ajs s VAL 226 CO 0.23 0.57 1.25 -2.65 -0.31 0.00 0.00 175.10 174.19 2ajs n PRO 227 N 2.19 1.67 0.00 4.82 -0.02 -1.26 -4.82 135.00 137.57 2ajs n PRO 227 Ca -0.17 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2ajs n PRO 227 Cb 0.52 -2.14 0.08 0.00 -0.02 0.00 0.00 33.50 31.95 2ajs n PRO 227 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37