#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj3 s GLN 3 N 0.00 0.79 -0.16 1.45 -0.21 0.97 -4.94 119.66 117.56 2aj3 s GLN 3 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 54.49 2aj3 s GLN 3 Cb 0.00 -0.77 0.02 0.00 1.00 0.00 0.00 33.01 33.26 2aj3 s GLN 3 CO 0.00 0.17 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.66 2aj3 s LEU 4 N -1.63 1.91 -0.14 2.90 1.02 -1.26 -1.07 118.68 120.40 2aj3 s LEU 4 Ca -0.03 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.56 2aj3 s LEU 4 Cb -0.10 -1.32 0.02 0.00 0.02 0.00 0.00 46.19 44.81 2aj3 s LEU 4 CO 0.02 -0.03 -0.15 -0.22 0.02 0.00 0.00 176.35 175.99 2aj3 s LEU 5 N 1.39 1.70 0.65 1.79 2.96 -0.66 -4.38 118.68 122.13 2aj3 s LEU 5 Ca 0.05 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 2aj3 s LEU 5 Cb -0.13 -1.17 0.04 0.00 0.50 0.00 0.00 46.19 45.42 2aj3 s LEU 5 CO -0.12 -0.04 0.97 -1.83 -1.32 0.00 0.00 176.35 174.00 2aj3 s GLU 6 N 1.40 2.52 -0.25 1.98 1.03 -1.26 -0.49 118.70 123.62 2aj3 s GLU 6 Ca 0.03 -0.14 -0.26 0.00 0.03 0.00 0.00 54.97 54.63 2aj3 s GLU 6 Cb -0.13 -2.21 0.12 0.00 -0.80 0.00 0.00 34.13 31.11 2aj3 s GLU 6 CO -0.09 -1.00 1.03 -1.54 -1.33 0.00 0.00 175.26 172.33 2aj3 s SER 7 N -4.42 -0.43 0.00 0.83 1.04 0.43 -4.91 113.70 106.25 2aj3 s SER 7 Ca 0.57 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2aj3 s SER 7 Cb -0.11 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2aj3 s SER 7 CO 0.45 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2aj3 n GLY 8 N 1.87 -0.71 3.73 7.32 0.00 -1.26 -0.78 105.19 115.36 2aj3 n GLY 8 Ca -0.12 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 2aj3 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aj3 s PRO 9 N -2.00 2.49 0.01 1.61 0.04 -1.26 -4.93 135.00 130.95 2aj3 s PRO 9 Ca 0.00 1.84 0.12 0.00 0.04 0.00 0.00 61.00 63.01 2aj3 s PRO 9 Cb 0.00 -1.87 -0.21 0.00 0.04 0.00 0.00 34.50 32.47 2aj3 s PRO 9 CO 0.00 -1.59 0.80 0.78 0.04 0.00 0.00 177.00 177.03 2aj3 h GLY 10 N 0.24 0.00 -4.72 0.56 0.00 -1.94 -3.44 103.07 93.78 2aj3 h GLY 10 Ca -0.49 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.22 2aj3 h GLY 10 CO 0.52 0.00 -0.86 0.14 0.00 0.00 0.00 176.54 176.34 2aj3 s VAL 11 N -2.67 1.73 -0.05 4.60 1.01 -1.26 -0.03 120.40 123.73 2aj3 s VAL 11 Ca -0.03 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 2aj3 s VAL 11 Cb 0.08 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2aj3 s VAL 11 CO 0.82 0.45 -0.01 -0.69 0.00 0.00 0.00 175.10 175.68 2aj3 s VAL 12 N -0.55 0.34 0.26 2.92 1.01 -0.74 -4.95 120.40 118.69 2aj3 s VAL 12 Ca 0.08 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2aj3 s VAL 12 Cb -0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 2aj3 s VAL 12 CO -0.00 0.22 1.38 -0.54 0.00 0.00 0.00 175.10 176.16 2aj3 s LYS 13 N 1.51 4.31 0.68 2.72 1.02 -1.26 -2.02 119.74 126.71 2aj3 s LYS 13 Ca -0.02 2.24 -0.17 0.00 0.02 0.00 0.00 55.97 58.04 2aj3 s LYS 13 Cb -0.13 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2aj3 s LYS 13 CO -0.03 -0.33 0.80 -0.35 -0.92 0.00 0.00 175.35 174.52 2aj3 n PRO 14 N 1.98 0.53 0.00 -1.68 -0.04 -1.26 -2.11 135.00 132.42 2aj3 n PRO 14 Ca 0.05 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2aj3 n PRO 14 Cb 0.41 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2aj3 n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aj3 n SER 15 N -0.88 0.00 -3.82 3.54 3.41 0.73 -4.92 113.62 111.68 2aj3 n SER 15 Ca 0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 2aj3 n SER 15 Cb 0.49 -0.33 0.14 0.00 -0.26 0.00 0.00 64.21 64.25 2aj3 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aj3 n GLU 16 N -1.93 -0.61 -4.11 4.33 1.02 -0.90 -3.92 120.64 114.53 2aj3 n GLU 16 Ca 0.00 -1.96 -0.35 0.00 -0.02 0.00 0.00 57.16 54.83 2aj3 n GLU 16 Cb 0.00 -0.89 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 2aj3 n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2aj3 s THR 17 N -3.04 3.73 0.26 2.62 2.01 -1.26 -2.38 115.64 117.58 2aj3 s THR 17 Ca 0.60 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 2aj3 s THR 17 Cb -0.02 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.72 2aj3 s THR 17 CO 0.41 0.44 0.89 -0.22 -0.69 0.00 0.00 174.62 175.45 2aj3 s LEU 18 N 1.04 4.48 -0.25 4.42 2.96 0.67 -4.89 118.68 127.11 2aj3 s LEU 18 Ca 0.01 1.79 -0.02 0.00 -0.22 0.00 0.00 54.13 55.70 2aj3 s LEU 18 Cb -0.14 -3.73 0.08 0.00 0.50 0.00 0.00 46.19 42.89 2aj3 s LEU 18 CO 0.01 0.06 0.06 -0.44 -1.32 0.00 0.00 176.35 174.72 2aj3 s SER 19 N -1.41 3.44 -0.08 3.68 0.01 -1.26 -1.05 113.70 117.04 2aj3 s SER 19 Ca 0.44 -1.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.51 2aj3 s SER 19 Cb -0.21 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2aj3 s SER 19 CO 0.26 -0.35 -0.03 -0.76 0.41 0.00 0.00 173.24 172.77 2aj3 s LEU 20 N 1.76 3.39 0.04 2.44 1.43 -0.45 -4.42 118.68 122.88 2aj3 s LEU 20 Ca 0.03 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2aj3 s LEU 20 Cb -0.17 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2aj3 s LEU 20 CO -0.17 0.37 -0.17 -0.89 0.23 0.00 0.00 176.35 175.73 2aj3 s THR 21 N -0.86 1.32 -0.13 5.49 2.01 0.04 -0.34 115.64 123.17 2aj3 s THR 21 Ca 0.13 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2aj3 s THR 21 Cb -0.11 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.24 2aj3 s THR 21 CO 0.02 0.08 -0.15 0.00 -0.69 0.00 0.00 174.62 173.87 2aj3 s THR 23 N 1.17 5.42 0.21 0.00 2.01 0.35 -2.35 115.64 122.45 2aj3 s THR 23 Ca -0.02 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2aj3 s THR 23 Cb -0.14 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2aj3 s THR 23 CO -0.05 0.47 0.25 -0.69 -0.69 0.00 0.00 174.62 173.90 2aj3 s VAL 24 N 0.12 4.85 -0.02 3.82 1.01 -1.01 -1.66 120.40 127.51 2aj3 s VAL 24 Ca 0.09 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2aj3 s VAL 24 Cb -0.11 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2aj3 s VAL 24 CO -0.01 -0.24 0.26 -0.44 0.00 0.00 0.00 175.10 174.67 2aj3 s SER 25 N -3.60 -0.15 0.00 3.32 0.01 -0.23 -4.86 113.70 108.19 2aj3 s SER 25 Ca 0.33 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2aj3 s SER 25 Cb -0.09 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2aj3 s SER 25 CO 0.26 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2aj3 n GLY 26 N 1.56 1.26 3.48 3.44 0.00 -1.26 -0.02 105.19 113.64 2aj3 n GLY 26 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2aj3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 s ALA 27 N -3.78 -1.69 -0.23 4.61 0.00 -1.26 -4.50 121.76 114.91 2aj3 s ALA 27 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.71 2aj3 s ALA 27 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2aj3 s ALA 27 CO 0.00 -0.54 0.66 -1.12 0.00 0.00 0.00 175.76 174.76 2aj3 s SER 28 N -1.86 6.66 0.40 0.00 0.01 -1.26 -4.93 113.70 112.72 2aj3 s SER 28 Ca -0.06 0.80 0.17 0.00 1.31 0.00 0.00 55.95 58.17 2aj3 s SER 28 Cb -0.00 -2.36 1.05 0.00 0.21 0.00 0.00 66.02 64.92 2aj3 s SER 28 CO 0.00 -0.35 1.82 0.58 0.41 0.00 0.00 173.24 175.70 2aj3 h VAL 29 N 5.32 0.64 0.00 3.43 2.07 -1.93 -1.42 116.25 124.37 2aj3 h VAL 29 Ca -0.28 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2aj3 h VAL 29 Cb 1.13 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2aj3 h VAL 29 CO 0.79 0.08 -0.23 -1.13 0.02 0.00 0.00 177.57 177.09 2aj3 h ASN 30 N 0.45 0.00 -0.03 0.57 -1.24 -1.95 -3.10 115.58 110.29 2aj3 h ASN 30 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.53 2aj3 h ASN 30 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2aj3 h ASN 30 CO -0.23 0.23 0.00 0.59 -1.29 0.00 0.00 177.43 176.73 2aj3 n ASN 31 N -4.22 0.36 -3.88 1.15 3.02 -0.53 -4.64 115.26 106.50 2aj3 n ASN 31 Ca -0.02 -1.37 -0.14 0.00 -0.03 0.00 0.00 54.58 53.02 2aj3 n ASN 31 Cb 0.29 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.36 2aj3 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2aj3 s TYR 32 N -1.97 1.27 -0.07 3.10 2.02 -1.17 -5.07 117.35 115.46 2aj3 s TYR 32 Ca 0.34 -1.41 0.01 0.00 -0.37 0.00 0.00 57.07 55.64 2aj3 s TYR 32 Cb 0.16 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2aj3 s TYR 32 CO 0.27 -0.76 -0.07 0.71 -1.57 0.00 0.00 175.55 174.13 2aj3 s TYR 33 N -3.88 2.95 0.36 2.71 2.02 -1.26 -4.62 117.35 115.63 2aj3 s TYR 33 Ca 0.38 0.01 0.05 0.00 -0.37 0.00 0.00 57.07 57.13 2aj3 s TYR 33 Cb 0.05 -1.72 -0.06 0.00 -0.40 0.00 0.00 41.96 39.82 2aj3 s TYR 33 CO 0.17 0.32 0.05 -1.58 -1.57 0.00 0.00 175.55 172.93 2aj3 s TRP 34 N -0.76 2.11 0.20 2.71 0.52 -0.89 -0.07 118.94 122.76 2aj3 s TRP 34 Ca 0.12 -0.90 -0.16 0.00 0.02 0.00 0.00 56.10 55.18 2aj3 s TRP 34 Cb -0.11 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 2aj3 s TRP 34 CO 0.02 0.12 0.49 -0.08 0.02 0.00 0.00 176.95 177.52 2aj3 s THR 35 N -3.11 0.03 -0.04 2.01 -1.32 0.05 -1.63 115.64 111.62 2aj3 s THR 35 Ca 0.34 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.93 2aj3 s THR 35 Cb 0.08 -1.69 -0.00 0.00 -1.51 0.00 0.00 72.50 69.38 2aj3 s THR 35 CO 0.16 -0.13 -0.17 0.26 -2.21 0.00 0.00 174.62 172.53 2aj3 s TRP 36 N -3.90 1.70 -0.02 9.09 0.52 -0.99 -0.90 118.94 124.45 2aj3 s TRP 36 Ca 0.11 -0.49 0.03 0.00 0.02 0.00 0.00 56.10 55.77 2aj3 s TRP 36 Cb -0.01 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.17 2aj3 s TRP 36 CO -0.01 -0.16 -0.09 0.08 0.02 0.00 0.00 176.95 176.79 2aj3 s VAL 37 N 0.04 0.78 0.25 4.03 1.01 0.06 -0.64 120.40 125.92 2aj3 s VAL 37 Ca -0.04 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.67 2aj3 s VAL 37 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2aj3 s VAL 37 CO 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 175.10 175.35 2aj3 s ARG 38 N 0.15 2.27 -0.38 2.72 1.70 -0.65 0.64 118.95 125.41 2aj3 s ARG 38 Ca -0.02 -1.39 0.01 0.00 -0.47 0.00 0.00 55.73 53.85 2aj3 s ARG 38 Cb -0.08 -2.17 0.14 0.00 -0.57 0.00 0.00 34.95 32.27 2aj3 s ARG 38 CO 0.00 0.37 0.22 -1.14 -1.08 0.00 0.00 175.30 173.68 2aj3 s GLN 39 N -3.57 0.82 -0.07 3.89 0.74 -0.38 -1.35 119.66 119.74 2aj3 s GLN 39 Ca 0.31 -1.56 -0.30 0.00 0.05 0.00 0.00 55.36 53.86 2aj3 s GLN 39 Cb -0.07 -1.71 -0.05 0.00 1.10 0.00 0.00 33.01 32.29 2aj3 s GLN 39 CO 0.19 -1.18 1.63 -2.14 -0.55 0.00 0.00 175.29 173.24 2aj3 s PRO 40 N 0.83 4.15 -0.04 1.67 0.02 -1.26 -2.82 135.00 137.54 2aj3 s PRO 40 Ca 0.18 2.11 -0.38 0.00 0.02 0.00 0.00 61.00 62.93 2aj3 s PRO 40 Cb -0.23 -3.98 -0.16 0.00 0.02 0.00 0.00 34.50 30.15 2aj3 s PRO 40 CO -0.00 -0.88 1.51 -2.30 -0.33 0.00 0.00 177.00 175.00 2aj3 n PRO 41 N 7.15 1.24 0.00 5.54 -0.02 -1.26 -0.10 135.00 147.54 2aj3 n PRO 41 Ca 0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2aj3 n PRO 41 Cb 0.43 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2aj3 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aj3 n GLY 42 N 3.22 3.18 0.00 -1.23 0.00 -1.26 -5.04 105.19 104.06 2aj3 n GLY 42 Ca 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2aj3 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aj3 n LYS 43 N 0.00 1.36 0.00 1.61 5.02 0.86 -5.13 118.16 121.87 2aj3 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2aj3 n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2aj3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aj3 n GLY 44 N 5.00 0.81 3.47 0.72 0.00 -1.26 -4.73 105.19 109.21 2aj3 n GLY 44 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2aj3 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 45 N 0.00 2.68 -0.08 0.99 1.43 -1.26 -4.07 118.68 118.37 2aj3 s LEU 45 Ca 0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2aj3 s LEU 45 Cb 0.00 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2aj3 s LEU 45 CO 0.00 0.27 0.04 -0.70 0.23 0.00 0.00 176.35 176.18 2aj3 s GLU 46 N -1.38 0.26 -0.06 1.70 2.12 -0.45 -5.00 118.70 115.89 2aj3 s GLU 46 Ca 0.15 0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 2aj3 s GLU 46 Cb -0.11 -0.95 -0.05 0.00 0.26 0.00 0.00 34.13 33.29 2aj3 s GLU 46 CO 0.05 -0.38 1.48 -0.46 -0.54 0.00 0.00 175.26 175.42 2aj3 s TRP 47 N 2.07 2.47 -0.17 5.30 -0.00 -1.26 -1.64 118.94 125.71 2aj3 s TRP 47 Ca 0.04 0.58 -0.21 0.00 -0.00 0.00 0.00 56.10 56.51 2aj3 s TRP 47 Cb -0.13 -3.74 -0.18 0.00 -0.00 0.00 0.00 33.47 29.41 2aj3 s TRP 47 CO -0.05 -2.92 0.36 0.82 -0.00 0.00 0.00 176.95 175.17 2aj3 h ILE 48 N 5.31 1.07 0.00 5.86 2.04 -1.25 -3.41 117.51 127.13 2aj3 h ILE 48 Ca -0.36 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.48 2aj3 h ILE 48 Cb 1.16 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2aj3 h ILE 48 CO 0.94 0.36 0.00 0.61 0.00 0.00 0.00 178.15 180.06 2aj3 n GLY 49 N 1.55 -0.39 3.49 5.37 0.00 -1.23 -1.19 105.19 112.79 2aj3 n GLY 49 Ca -0.18 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 2aj3 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aj3 s ASN 50 N 0.00 3.34 -0.03 1.61 0.01 -0.55 -2.34 114.94 116.98 2aj3 s ASN 50 Ca 0.00 -1.18 0.01 0.00 -0.71 0.00 0.00 52.86 50.97 2aj3 s ASN 50 Cb 0.00 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.41 2aj3 s ASN 50 CO 0.00 -0.24 -0.01 0.54 -1.51 0.00 0.00 177.10 175.88 2aj3 s VAL 51 N -2.77 0.21 0.45 1.60 0.11 -0.65 -4.56 120.40 114.79 2aj3 s VAL 51 Ca 0.31 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 2aj3 s VAL 51 Cb 0.03 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 2aj3 s VAL 51 CO 0.15 0.14 0.12 -1.22 -3.33 0.00 0.00 175.10 170.96 2aj3 n TYR 52 N 3.98 0.37 0.09 1.54 4.01 -1.26 -2.09 117.16 123.79 2aj3 n TYR 52 Ca -0.25 -2.72 -0.13 0.00 -0.16 0.00 0.00 57.90 54.64 2aj3 n TYR 52 Cb 0.51 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 39.38 2aj3 n TYR 52 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2aj3 h ASP 53 N 1.61 0.38 0.25 7.72 3.04 -1.82 -3.18 116.42 124.42 2aj3 h ASP 53 Ca -0.35 -0.36 0.00 0.00 -3.24 0.00 0.00 57.03 53.07 2aj3 h ASP 53 Cb 1.28 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 2aj3 h ASP 53 CO 0.57 1.22 0.00 -1.54 -2.04 0.00 0.00 179.24 177.45 2aj3 n SER 54 N -3.59 0.00 -0.69 4.15 3.41 -1.26 -4.86 113.62 110.78 2aj3 n SER 54 Ca -0.06 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 2aj3 n SER 54 Cb 0.93 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 2aj3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aj3 n GLY 55 N 0.16 0.96 3.62 5.00 0.00 -1.20 -4.96 105.19 108.76 2aj3 n GLY 55 Ca 0.09 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2aj3 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aj3 n ASP 56 N -0.63 0.32 -4.17 1.61 9.92 -1.26 -4.97 116.55 117.38 2aj3 n ASP 56 Ca -0.09 0.59 -0.39 0.00 -0.53 0.00 0.00 54.79 54.37 2aj3 n ASP 56 Cb 0.46 -1.42 -0.09 0.00 -0.64 0.00 0.00 41.12 39.43 2aj3 n ASP 56 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2aj3 s THR 57 N -2.03 4.05 -0.60 -3.53 2.01 -1.26 -4.69 115.64 109.59 2aj3 s THR 57 Ca 0.71 -2.31 0.04 0.00 0.31 0.00 0.00 61.69 60.45 2aj3 s THR 57 Cb -0.31 -3.65 0.15 0.00 0.01 0.00 0.00 72.50 68.71 2aj3 s THR 57 CO 0.53 -0.83 0.38 0.20 -0.69 0.00 0.00 174.62 174.21 2aj3 s ASN 58 N 1.80 4.42 0.31 3.53 0.01 -1.26 -5.08 114.94 118.67 2aj3 s ASN 58 Ca 0.11 -3.42 0.09 0.00 -0.71 0.00 0.00 52.86 48.93 2aj3 s ASN 58 Cb -0.22 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 2aj3 s ASN 58 CO -0.03 -0.16 0.05 -0.31 -1.51 0.00 0.00 177.10 175.14 2aj3 s TYR 59 N -0.83 2.66 0.15 2.20 2.02 -1.26 -1.48 117.35 120.80 2aj3 s TYR 59 Ca 0.22 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 2aj3 s TYR 59 Cb -0.14 -1.42 -0.07 0.00 -0.40 0.00 0.00 41.96 39.93 2aj3 s TYR 59 CO -0.09 0.49 1.15 1.21 -1.57 0.00 0.00 175.55 176.74 2aj3 s ASN 60 N -3.74 7.17 0.54 2.29 3.84 -0.33 -4.87 114.94 119.84 2aj3 s ASN 60 Ca 0.34 2.11 0.22 0.00 0.21 0.00 0.00 52.86 55.74 2aj3 s ASN 60 Cb -0.03 -2.60 1.41 0.00 -0.55 0.00 0.00 41.25 39.47 2aj3 s ASN 60 CO 0.21 -0.32 2.10 -0.65 -2.79 0.00 0.00 177.10 175.64 2aj3 h PRO 61 N 5.57 0.00 0.00 0.43 0.11 -1.94 0.21 132.00 136.38 2aj3 h PRO 61 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2aj3 h PRO 61 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2aj3 h PRO 61 CO 0.75 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 2aj3 n SER 62 N -4.33 0.00 0.00 -2.05 3.41 -1.26 -3.57 113.62 105.82 2aj3 n SER 62 Ca 0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2aj3 n SER 62 Cb 0.29 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2aj3 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aj3 n LEU 63 N -1.19 0.00 -0.14 1.04 4.77 -0.50 -4.91 117.00 116.07 2aj3 n LEU 63 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 2aj3 n LEU 63 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2aj3 n LEU 63 CO 0.15 0.00 0.18 -0.24 -1.33 0.00 0.00 177.39 176.15 2aj3 n SER 64 N -0.74 -0.31 0.20 -1.43 2.88 0.62 0.08 113.62 114.91 2aj3 n SER 64 Ca 0.00 0.61 0.17 0.00 -1.33 0.00 0.00 58.87 58.32 2aj3 n SER 64 Cb 0.05 -0.10 0.82 0.00 -0.75 0.00 0.00 64.21 64.23 2aj3 n SER 64 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2aj3 h SER 65 N 0.00 0.00 -0.00 -3.46 4.64 -1.87 -2.91 113.55 109.95 2aj3 h SER 65 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2aj3 h SER 65 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2aj3 h SER 65 CO -0.33 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.15 2aj3 n ARG 66 N -3.78 0.97 -3.70 4.77 1.74 0.11 -5.05 116.66 111.72 2aj3 n ARG 66 Ca 0.02 -0.50 -0.29 0.00 -0.77 0.00 0.00 57.85 56.31 2aj3 n ARG 66 Cb 0.36 -0.95 -0.04 0.00 -1.02 0.00 0.00 32.46 30.81 2aj3 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2aj3 s LEU 67 N -0.66 4.25 -0.27 0.55 2.96 -0.69 -4.18 118.68 120.65 2aj3 s LEU 67 Ca 0.02 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2aj3 s LEU 67 Cb 0.02 -3.22 0.15 0.00 0.50 0.00 0.00 46.19 43.64 2aj3 s LEU 67 CO 0.05 0.01 0.55 -0.55 -1.32 0.00 0.00 176.35 175.08 2aj3 s SER 68 N -2.81 -0.85 0.18 3.68 0.15 -0.50 -4.92 113.70 108.62 2aj3 s SER 68 Ca 0.39 1.01 0.07 0.00 0.70 0.00 0.00 55.95 58.12 2aj3 s SER 68 Cb -0.12 1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 66.06 2aj3 s SER 68 CO 0.27 -0.25 0.06 -0.76 1.20 0.00 0.00 173.24 173.76 2aj3 s LEU 69 N 2.78 3.51 0.21 3.45 1.43 -1.26 -0.30 118.68 128.49 2aj3 s LEU 69 Ca 0.07 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 2aj3 s LEU 69 Cb -0.14 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.02 2aj3 s LEU 69 CO -0.18 0.07 0.91 -0.94 0.23 0.00 0.00 176.35 176.44 2aj3 s SER 70 N -3.12 -0.13 0.02 2.29 1.04 -1.03 -4.97 113.70 107.80 2aj3 s SER 70 Ca 0.29 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 56.16 2aj3 s SER 70 Cb -0.09 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2aj3 s SER 70 CO 0.21 -1.11 -0.11 -0.32 0.98 0.00 0.00 173.24 172.89 2aj3 s MET 71 N -3.03 0.79 -0.38 4.02 1.75 -1.26 -0.19 119.30 121.00 2aj3 s MET 71 Ca 0.14 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 54.01 2aj3 s MET 71 Cb -0.03 -0.75 0.12 0.00 2.84 0.00 0.00 34.83 37.00 2aj3 s MET 71 CO 0.05 0.19 0.15 0.34 -0.65 0.00 0.00 175.02 175.10 2aj3 s ASP 72 N -0.87 4.10 0.44 1.11 -1.08 0.13 -4.97 116.67 115.54 2aj3 s ASP 72 Ca 0.00 -2.24 0.10 0.00 -0.52 0.00 0.00 52.55 49.90 2aj3 s ASP 72 Cb -0.07 -1.18 0.99 0.00 -1.46 0.00 0.00 42.92 41.20 2aj3 s ASP 72 CO 0.01 -0.34 2.08 0.71 0.52 0.00 0.00 175.17 178.15 2aj3 h THR 73 N 5.99 1.07 -0.23 1.71 1.35 -1.96 0.39 112.91 121.23 2aj3 h THR 73 Ca -0.07 -0.15 -0.08 0.00 -0.55 0.00 0.00 66.41 65.57 2aj3 h THR 73 Cb 0.97 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2aj3 h THR 73 CO 0.51 0.07 -0.19 0.77 -0.25 0.00 0.00 175.52 176.43 2aj3 h SER 74 N 0.37 0.41 -0.14 5.36 4.64 -1.95 -2.66 113.55 119.58 2aj3 h SER 74 Ca 0.10 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2aj3 h SER 74 Cb -0.03 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2aj3 h SER 74 CO -0.02 0.62 0.00 0.29 -0.87 0.00 0.00 176.83 176.85 2aj3 n LYS 75 N -4.17 2.04 -3.71 4.77 5.02 -1.00 -4.99 118.16 116.11 2aj3 n LYS 75 Ca -0.00 -1.88 -0.22 0.00 -2.02 0.00 0.00 58.31 54.19 2aj3 n LYS 75 Cb 0.35 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2aj3 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2aj3 n ASN 76 N 1.21 -1.16 -4.15 4.39 5.15 0.07 -4.83 115.26 115.94 2aj3 n ASN 76 Ca 0.14 -0.83 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 2aj3 n ASN 76 Cb 0.53 -4.02 -0.10 0.00 -0.53 0.00 0.00 39.78 35.66 2aj3 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2aj3 s GLN 77 N -6.00 0.85 0.06 1.20 -0.21 -0.88 -2.41 119.66 112.27 2aj3 s GLN 77 Ca 0.01 -1.38 0.04 0.00 0.02 0.00 0.00 55.36 54.05 2aj3 s GLN 77 Cb -0.01 0.12 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 2aj3 s GLN 77 CO 0.81 -0.18 -0.13 -0.59 -2.12 0.00 0.00 175.29 173.09 2aj3 s PHE 78 N -3.92 1.09 0.33 0.91 -0.71 -0.99 0.23 117.98 114.91 2aj3 s PHE 78 Ca 0.18 -0.44 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 2aj3 s PHE 78 Cb 0.07 -0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2aj3 s PHE 78 CO -0.02 0.02 0.21 -1.12 -1.34 0.00 0.00 175.22 172.97 2aj3 s SER 79 N -1.56 1.70 -0.05 1.98 0.01 0.73 -1.52 113.70 115.00 2aj3 s SER 79 Ca -0.03 -1.66 0.01 0.00 1.31 0.00 0.00 55.95 55.58 2aj3 s SER 79 Cb -0.09 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.65 2aj3 s SER 79 CO 0.02 -0.98 -0.06 -0.22 0.41 0.00 0.00 173.24 172.41 2aj3 s LEU 80 N -3.40 1.40 -0.16 2.44 0.20 0.53 -2.47 118.68 117.22 2aj3 s LEU 80 Ca 0.36 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 55.04 2aj3 s LEU 80 Cb 0.03 -0.52 0.02 0.00 -0.43 0.00 0.00 46.19 45.29 2aj3 s LEU 80 CO 0.21 -0.04 -0.21 -0.60 -0.29 0.00 0.00 176.35 175.43 2aj3 s ARG 81 N 0.85 3.00 0.32 1.98 3.52 0.58 -1.34 118.95 127.87 2aj3 s ARG 81 Ca -0.12 -0.84 0.06 0.00 -0.13 0.00 0.00 55.73 54.69 2aj3 s ARG 81 Cb -0.15 -2.51 -0.06 0.00 -1.56 0.00 0.00 34.95 30.67 2aj3 s ARG 81 CO 0.01 -0.13 -0.00 -1.17 -0.81 0.00 0.00 175.30 173.20 2aj3 s LEU 82 N 1.09 2.43 0.00 -0.88 0.20 -0.21 -1.42 118.68 119.89 2aj3 s LEU 82 Ca -0.00 -1.29 0.00 0.00 0.69 0.00 0.00 54.13 53.53 2aj3 s LEU 82 Cb -0.14 -0.58 0.00 0.00 -0.43 0.00 0.00 46.19 45.04 2aj3 s LEU 82 CO -0.08 -0.46 0.00 -1.20 -0.29 0.00 0.00 176.35 174.32 2aj3 n SER 82 N -0.68 0.00 -4.76 3.68 7.64 -1.07 -0.24 113.62 118.19 2aj3 n SER 82 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.47 2aj3 n SER 82 Cb 0.65 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2aj3 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2aj3 s VAL 82 N -1.85 2.72 0.33 0.44 -7.23 -1.00 -4.63 120.40 109.18 2aj3 s VAL 82 Ca 0.00 0.50 0.04 0.00 -1.81 0.00 0.00 61.98 60.71 2aj3 s VAL 82 Cb 0.00 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 2aj3 s VAL 82 CO 0.00 -0.04 0.16 0.42 -0.31 0.00 0.00 175.10 175.33 2aj3 s THR 83 N -1.52 0.40 0.63 5.32 -4.23 -1.26 -0.19 115.64 114.80 2aj3 s THR 83 Ca 0.70 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.56 2aj3 s THR 83 Cb -0.32 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.42 2aj3 s THR 83 CO 0.37 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.61 2aj3 h ALA 84 N 2.09 1.41 0.00 3.99 0.00 -1.96 0.17 119.26 124.96 2aj3 h ALA 84 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2aj3 h ALA 84 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2aj3 h ALA 84 CO 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2aj3 n ALA 85 N -2.14 1.82 1.27 0.00 0.00 -1.26 -2.36 120.51 117.83 2aj3 n ALA 85 Ca -0.01 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2aj3 n ALA 85 Cb 0.24 -1.36 0.35 0.00 0.00 0.00 0.00 19.45 18.68 2aj3 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aj3 n ASP 86 N -1.93 1.43 -4.69 0.00 8.00 0.59 -4.90 116.55 115.04 2aj3 n ASP 86 Ca 0.04 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 2aj3 n ASP 86 Cb 0.25 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 2aj3 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2aj3 s THR 87 N -2.32 3.21 0.00 -3.53 2.01 -0.99 -4.89 115.64 109.13 2aj3 s THR 87 Ca 0.28 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2aj3 s THR 87 Cb 0.20 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2aj3 s THR 87 CO 0.46 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 2aj3 n ALA 88 N 5.26 0.00 -2.67 7.40 0.00 -0.19 -4.35 120.51 125.96 2aj3 n ALA 88 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 2aj3 n ALA 88 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2aj3 n ALA 88 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2aj3 s THR 89 N -2.00 5.00 -0.16 0.00 -1.32 -1.13 -0.55 115.64 115.48 2aj3 s THR 89 Ca 0.00 1.32 -0.07 0.00 -1.21 0.00 0.00 61.69 61.73 2aj3 s THR 89 Cb 0.00 -4.00 -0.04 0.00 -1.51 0.00 0.00 72.50 66.95 2aj3 s THR 89 CO 0.00 0.12 0.08 -0.31 -2.21 0.00 0.00 174.62 172.30 2aj3 s TYR 90 N 1.76 3.34 0.08 9.09 1.51 0.66 -1.26 117.35 132.54 2aj3 s TYR 90 Ca 0.32 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.69 2aj3 s TYR 90 Cb -0.16 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2aj3 s TYR 90 CO 0.12 0.34 -0.17 0.71 -1.11 0.00 0.00 175.55 175.44 2aj3 s TYR 91 N -0.08 2.57 0.12 2.71 2.02 0.21 -1.81 117.35 123.09 2aj3 s TYR 91 Ca 0.08 -0.24 0.09 0.00 -0.37 0.00 0.00 57.07 56.62 2aj3 s TYR 91 Cb -0.12 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2aj3 s TYR 91 CO 0.01 0.34 -0.15 0.00 -1.57 0.00 0.00 175.55 174.17 2aj3 s ALA 93 N -1.25 -0.55 -0.16 0.00 0.00 -0.07 -0.11 121.76 119.62 2aj3 s ALA 93 Ca 0.20 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2aj3 s ALA 93 Cb -0.10 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 2aj3 s ALA 93 CO 0.12 -0.96 0.21 0.50 0.00 0.00 0.00 175.76 175.63 2aj3 s ARG 94 N -2.65 4.04 -1.00 0.00 3.52 -0.29 -0.77 118.95 121.81 2aj3 s ARG 94 Ca 0.17 -0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.57 2aj3 s ARG 94 Cb -0.04 -3.36 0.16 0.00 -1.56 0.00 0.00 34.95 30.15 2aj3 s ARG 94 CO 0.12 0.40 1.15 -0.47 -0.81 0.00 0.00 175.30 175.70 2aj3 s TYR 95 N 0.01 3.38 -0.06 5.12 5.04 0.90 -2.89 117.35 128.85 2aj3 s TYR 95 Ca 0.14 -1.75 -0.30 0.00 -2.44 0.00 0.00 57.07 52.72 2aj3 s TYR 95 Cb -0.12 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 37.94 2aj3 s TYR 95 CO 0.02 -1.36 1.52 -1.58 -1.34 0.00 0.00 175.55 172.82 2aj3 s HIS 96 N 1.79 2.34 0.04 4.97 5.65 0.17 -4.46 115.29 125.78 2aj3 s HIS 96 Ca 0.33 0.48 0.01 0.00 0.25 0.00 0.00 55.06 56.13 2aj3 s HIS 96 Cb -0.05 -3.79 -0.03 0.00 -1.18 0.00 0.00 32.58 27.53 2aj3 s HIS 96 CO -0.07 -3.15 -0.05 0.50 -0.65 0.00 0.00 174.74 171.33 2aj3 s ARG 97 N 3.58 0.47 -0.12 2.88 3.52 -1.26 -1.51 118.95 126.51 2aj3 s ARG 97 Ca 0.68 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 2aj3 s ARG 97 Cb -0.31 -0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.07 2aj3 s ARG 97 CO 0.26 -0.03 -0.22 -1.58 -0.81 0.00 0.00 175.30 172.92 2aj3 s HIS 98 N -2.03 2.55 0.54 5.12 5.65 -0.39 -4.93 115.29 121.80 2aj3 s HIS 98 Ca -0.08 -1.17 0.29 0.00 0.25 0.00 0.00 55.06 54.35 2aj3 s HIS 98 Cb -0.06 -1.73 1.45 0.00 -1.18 0.00 0.00 32.58 31.06 2aj3 s HIS 98 CO -0.02 -0.51 1.94 0.27 -0.65 0.00 0.00 174.74 175.77 2aj3 h PHE 99 N 7.04 0.00 0.00 3.88 -0.00 -2.01 0.88 116.94 126.72 2aj3 h PHE 99 Ca -0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 57.52 2aj3 h PHE 99 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.13 2aj3 h PHE 99 CO 0.47 0.00 -1.43 -0.89 -0.00 0.00 0.00 178.31 176.46 2aj3 n ILE 100 N -4.31 1.50 0.29 0.88 5.41 -1.26 -4.51 119.36 117.36 2aj3 n ILE 100 Ca 0.14 -0.04 0.18 0.00 1.00 0.00 0.00 62.75 64.03 2aj3 n ILE 100 Cb 0.80 -2.15 0.76 0.00 -0.71 0.00 0.00 39.64 38.34 2aj3 n ILE 100 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2aj3 h ARG 100 N -1.00 0.00 0.00 0.38 3.08 -1.97 -3.49 114.38 111.38 2aj3 h ARG 100 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2aj3 h ARG 100 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2aj3 h ARG 100 CO -0.18 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.15 2aj3 n GLY 100 N -0.14 -1.63 3.69 0.04 0.00 0.30 -4.90 105.19 102.55 2aj3 n GLY 100 Ca -0.00 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 2aj3 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aj3 n PRO 100 N 0.00 2.62 -0.05 1.61 -0.04 -1.26 -1.26 135.00 136.61 2aj3 n PRO 100 Ca 0.00 0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 64.33 2aj3 n PRO 100 Cb 0.00 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 30.62 2aj3 n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aj3 n LEU 100 N 5.04 1.65 0.00 1.53 4.32 -0.57 -4.93 117.00 124.03 2aj3 n LEU 100 Ca 0.18 0.27 0.01 0.00 -0.02 0.00 0.00 56.01 56.44 2aj3 n LEU 100 Cb 0.35 -0.61 0.01 0.00 -1.62 0.00 0.00 43.42 41.54 2aj3 n LEU 100 CO 0.66 -0.33 0.40 -1.54 -1.22 0.00 0.00 177.39 175.36 2aj3 n SER 100 N -4.13 -0.49 -4.14 -1.43 3.41 -0.91 -5.03 113.62 100.89 2aj3 n SER 100 Ca -0.13 -1.13 -0.39 0.00 -0.26 0.00 0.00 58.87 56.96 2aj3 n SER 100 Cb 0.40 0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 65.04 2aj3 n SER 100 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2aj3 s PHE 100 N -2.95 3.49 -0.18 7.33 0.08 -1.26 0.44 117.98 124.94 2aj3 s PHE 100 Ca 0.11 -2.59 0.19 0.00 0.12 0.00 0.00 56.93 54.77 2aj3 s PHE 100 Cb -0.00 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.05 2aj3 s PHE 100 CO 0.00 -0.86 0.95 0.38 -0.10 0.00 0.00 175.22 175.58 2aj3 h ASP 101 N 7.12 0.00 -3.28 1.36 2.03 -1.91 -3.45 116.42 118.29 2aj3 h ASP 101 Ca 0.02 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.65 2aj3 h ASP 101 Cb 0.96 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.13 2aj3 h ASP 101 CO 0.72 0.32 -0.87 -0.31 -1.03 0.00 0.00 179.24 178.07 2aj3 s TYR 102 N -3.12 2.57 0.09 4.15 2.02 -1.26 -4.98 117.35 116.82 2aj3 s TYR 102 Ca -0.02 -1.17 0.08 0.00 -0.37 0.00 0.00 57.07 55.60 2aj3 s TYR 102 Cb 0.09 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 2aj3 s TYR 102 CO 0.80 -0.50 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.48 2aj3 s TRP 103 N 0.57 1.88 0.83 2.71 0.52 -1.26 -1.14 118.94 123.05 2aj3 s TRP 103 Ca -0.13 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.47 2aj3 s TRP 103 Cb -0.17 -1.05 0.11 0.00 -1.15 0.00 0.00 33.47 31.21 2aj3 s TRP 103 CO 0.04 0.19 1.19 0.20 0.02 0.00 0.00 176.95 178.59 2aj3 s GLY 104 N -1.72 1.67 0.00 0.98 0.00 0.84 -4.81 107.32 104.29 2aj3 s GLY 104 Ca 0.08 -0.91 0.29 0.00 0.00 0.00 0.00 44.72 44.18 2aj3 s GLY 104 CO 0.04 -0.35 1.91 0.54 0.00 0.00 0.00 173.10 175.24 2aj3 n ARG 105 N -3.36 0.35 -0.28 2.90 1.74 -1.26 -4.75 116.66 111.99 2aj3 n ARG 105 Ca 0.10 -0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.15 2aj3 n ARG 105 Cb 0.60 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 2aj3 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aj3 n GLY 106 N 1.36 -2.52 2.87 -0.13 0.00 -1.26 -5.01 105.19 100.50 2aj3 n GLY 106 Ca 0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2aj3 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aj3 s THR 107 N -2.89 0.01 -0.22 2.61 -4.23 -0.75 -4.93 115.64 105.24 2aj3 s THR 107 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.25 2aj3 s THR 107 Cb 0.00 -0.02 0.00 0.00 1.34 0.00 0.00 72.50 73.82 2aj3 s THR 107 CO 0.00 0.01 0.93 -0.22 -0.54 0.00 0.00 174.62 174.80 2aj3 s LEU 108 N 0.05 4.10 -0.31 4.79 2.96 -1.26 -0.24 118.68 128.77 2aj3 s LEU 108 Ca -0.00 1.23 -0.06 0.00 -0.22 0.00 0.00 54.13 55.07 2aj3 s LEU 108 Cb -0.01 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 43.34 2aj3 s LEU 108 CO -0.00 -0.57 0.07 -0.69 -1.32 0.00 0.00 176.35 173.84 2aj3 s VAL 109 N 2.91 3.73 -0.23 1.68 1.01 0.29 -4.50 120.40 125.30 2aj3 s VAL 109 Ca 0.40 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2aj3 s VAL 109 Cb -0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2aj3 s VAL 109 CO 0.08 -0.02 0.05 -0.89 0.00 0.00 0.00 175.10 174.31 2aj3 s THR 110 N 1.43 4.25 -0.51 3.92 2.01 0.96 -1.02 115.64 126.67 2aj3 s THR 110 Ca 0.00 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 2aj3 s THR 110 Cb -0.18 -2.96 0.04 0.00 0.01 0.00 0.00 72.50 69.41 2aj3 s THR 110 CO 0.02 0.38 0.84 -0.69 -0.69 0.00 0.00 174.62 174.48 2aj3 s VAL 111 N 1.29 4.54 -0.14 3.82 1.01 -1.26 -1.79 120.40 127.88 2aj3 s VAL 111 Ca 0.04 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 2aj3 s VAL 111 Cb -0.15 -4.43 0.05 0.00 0.00 0.00 0.00 36.38 31.85 2aj3 s VAL 111 CO 0.03 -0.94 0.55 -0.55 0.00 0.00 0.00 175.10 174.18 2aj3 s SER 112 N 2.59 -0.53 0.26 3.32 0.15 -0.85 -4.67 113.70 113.97 2aj3 s SER 112 Ca 0.28 0.84 0.25 0.00 0.70 0.00 0.00 55.95 58.02 2aj3 s SER 112 Cb -0.13 0.85 0.52 0.00 -1.71 0.00 0.00 66.02 65.54 2aj3 s SER 112 CO 0.19 -0.34 1.58 0.28 1.20 0.00 0.00 173.24 176.15 2aj3 h SER 113 N 4.45 0.00 -2.10 5.45 0.02 -1.95 -3.36 113.55 116.06 2aj3 h SER 113 Ca -0.28 -0.04 -0.62 0.00 -0.84 0.00 0.00 61.79 60.01 2aj3 h SER 113 Cb 1.16 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.83 2aj3 h SER 113 CO 0.25 0.02 -0.25 0.00 -1.14 0.00 0.00 176.83 175.72 2aj3 n ALA 114 N -1.92 -1.36 -2.37 3.77 0.00 -1.26 -4.97 120.51 112.41 2aj3 n ALA 114 Ca 0.04 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 2aj3 n ALA 114 Cb 0.47 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 2aj3 n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2aj3 s SER 115 N -0.82 6.96 0.16 0.00 0.01 -1.26 -5.01 113.70 113.73 2aj3 s SER 115 Ca 0.62 1.14 -0.34 0.00 1.31 0.00 0.00 55.95 58.67 2aj3 s SER 115 Cb -0.71 -2.31 -0.15 0.00 0.21 0.00 0.00 66.02 63.06 2aj3 s SER 115 CO 0.58 0.29 1.41 0.41 0.41 0.00 0.00 173.24 176.35 2aj3 n THR 116 N 1.73 0.32 -3.71 1.44 -1.04 -1.26 -4.69 114.28 107.06 2aj3 n THR 116 Ca -0.12 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.68 2aj3 n THR 116 Cb 0.51 -1.21 -0.09 0.00 -1.82 0.00 0.00 70.33 67.73 2aj3 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2aj3 s LYS 117 N 0.33 0.57 0.48 -2.82 2.20 0.14 -4.94 119.74 115.71 2aj3 s LYS 117 Ca 0.78 0.57 -0.18 0.00 -0.36 0.00 0.00 55.97 56.78 2aj3 s LYS 117 Cb -0.78 0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 35.72 2aj3 s LYS 117 CO 0.45 -0.08 0.97 0.20 -0.36 0.00 0.00 175.35 176.52 2aj3 s GLY 118 N 0.08 2.20 0.63 5.54 0.00 -1.26 -1.40 107.32 113.12 2aj3 s GLY 118 Ca -0.01 0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 2aj3 s GLY 118 CO 0.01 0.54 1.04 2.56 0.00 0.00 0.00 173.10 177.25 2aj3 s PRO 119 N -3.69 3.50 -0.22 2.90 0.04 -1.26 -4.55 135.00 131.72 2aj3 s PRO 119 Ca 0.60 0.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 2aj3 s PRO 119 Cb -0.10 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2aj3 s PRO 119 CO 0.24 -0.63 -0.08 -1.12 0.04 0.00 0.00 177.00 175.45 2aj3 s SER 120 N -4.20 4.08 -0.20 6.66 0.01 -0.66 -4.95 113.70 114.44 2aj3 s SER 120 Ca 0.55 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 2aj3 s SER 120 Cb -0.11 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2aj3 s SER 120 CO 0.54 -0.05 0.20 0.68 0.41 0.00 0.00 173.24 175.01 2aj3 s VAL 121 N 1.39 5.35 0.13 3.43 -7.23 -1.26 -1.63 120.40 120.59 2aj3 s VAL 121 Ca 0.04 0.33 0.09 0.00 -1.81 0.00 0.00 61.98 60.63 2aj3 s VAL 121 Cb -0.15 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2aj3 s VAL 121 CO -0.06 0.39 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.61 2aj3 s PHE 122 N 0.60 2.58 0.10 2.82 0.08 0.45 -4.92 117.98 119.69 2aj3 s PHE 122 Ca 0.11 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 2aj3 s PHE 122 Cb -0.12 -1.34 -0.07 0.00 -0.57 0.00 0.00 43.02 40.92 2aj3 s PHE 122 CO 0.02 0.42 0.64 -1.25 -0.10 0.00 0.00 175.22 174.95 2aj3 s PRO 123 N -2.30 4.33 -1.00 0.24 0.04 -1.26 0.77 135.00 135.81 2aj3 s PRO 123 Ca 0.20 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 2aj3 s PRO 123 Cb -0.10 -3.25 0.25 0.00 0.04 0.00 0.00 34.50 31.44 2aj3 s PRO 123 CO 0.12 0.62 0.95 -0.51 0.04 0.00 0.00 177.00 178.21 2aj3 s LEU 124 N -1.11 6.03 0.28 -3.56 1.43 -0.68 -4.84 118.68 116.23 2aj3 s LEU 124 Ca 0.31 -3.58 -0.29 0.00 -1.03 0.00 0.00 54.13 49.54 2aj3 s LEU 124 Cb -0.21 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 2aj3 s LEU 124 CO 0.21 -0.26 1.40 0.00 0.23 0.00 0.00 176.35 177.93 2aj3 s ALA 125 N -1.18 3.58 0.37 4.21 0.00 -1.26 -1.25 121.76 126.23 2aj3 s ALA 125 Ca 0.28 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 2aj3 s ALA 125 Cb -0.09 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 2aj3 s ALA 125 CO -0.10 -0.73 1.21 -1.25 0.00 0.00 0.00 175.76 174.89 2aj3 s PRO 126 N -0.91 4.16 0.15 0.00 0.04 -1.25 -4.80 135.00 132.38 2aj3 s PRO 126 Ca 0.56 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.50 2aj3 s PRO 126 Cb -0.41 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.33 2aj3 s PRO 126 CO 0.47 -0.27 0.30 -1.13 0.04 0.00 0.00 177.00 176.42 2aj3 n SER 127 N 0.34 -0.86 0.28 6.66 3.41 -1.26 -1.53 113.62 120.65 2aj3 n SER 127 Ca 0.03 -1.63 0.15 0.00 -0.26 0.00 0.00 58.87 57.16 2aj3 n SER 127 Cb 0.45 1.45 0.81 0.00 -0.26 0.00 0.00 64.21 66.65 2aj3 n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aj3 h SER 128 N 0.77 0.00 1.09 4.04 4.64 -1.95 -1.77 113.55 120.38 2aj3 h SER 128 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2aj3 h SER 128 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2aj3 h SER 128 CO 0.16 0.08 -0.03 0.29 -0.87 0.00 0.00 176.83 176.46 2aj3 n LYS 129 N -3.49 0.07 -0.44 4.77 4.76 -1.26 -3.49 118.16 119.08 2aj3 n LYS 129 Ca -0.02 0.05 0.07 0.00 -2.87 0.00 0.00 58.31 55.54 2aj3 n LYS 129 Cb 0.21 -1.57 0.14 0.00 -1.84 0.00 0.00 35.03 31.97 2aj3 n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2aj3 n SER 130 N -1.69 1.75 -4.32 4.39 3.41 -0.68 -5.04 113.62 111.43 2aj3 n SER 130 Ca 0.07 -3.19 -0.30 0.00 -0.26 0.00 0.00 58.87 55.19 2aj3 n SER 130 Cb 0.36 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 2aj3 n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aj3 s THR 131 N -2.46 2.04 -0.18 6.66 2.01 -1.10 -1.24 115.64 121.38 2aj3 s THR 131 Ca 0.31 -1.30 -0.07 0.00 0.31 0.00 0.00 61.69 60.94 2aj3 s THR 131 Cb 0.30 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 71.14 2aj3 s THR 131 CO -0.03 0.39 0.38 -0.55 -0.69 0.00 0.00 174.62 174.12 2aj3 s SER 132 N -1.09 -0.19 1.13 3.53 0.15 -0.31 -5.00 113.70 111.91 2aj3 s SER 132 Ca 0.11 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2aj3 s SER 132 Cb -0.10 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2aj3 s SER 132 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2aj3 n GLY 133 N 5.10 2.13 1.63 9.45 0.00 -1.26 -2.12 105.19 120.12 2aj3 n GLY 133 Ca -0.12 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.52 2aj3 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj3 n GLY 134 N 0.00 3.11 3.37 -0.02 0.00 -1.26 -4.93 105.19 105.47 2aj3 n GLY 134 Ca 0.00 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2aj3 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aj3 s THR 135 N -2.52 2.76 0.01 2.61 2.01 -0.90 0.74 115.64 120.34 2aj3 s THR 135 Ca 0.51 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2aj3 s THR 135 Cb 0.38 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2aj3 s THR 135 CO 0.17 0.56 -0.18 -0.44 -0.69 0.00 0.00 174.62 174.03 2aj3 s SER 136 N -0.09 2.16 -0.04 3.53 0.01 0.19 -1.16 113.70 118.29 2aj3 s SER 136 Ca -0.03 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 2aj3 s SER 136 Cb -0.14 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2aj3 s SER 136 CO 0.04 0.18 0.02 0.00 0.41 0.00 0.00 173.24 173.90 2aj3 s ALA 137 N -0.57 3.37 0.24 1.44 0.00 -0.37 0.50 121.76 126.36 2aj3 s ALA 137 Ca 0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 2aj3 s ALA 137 Cb -0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2aj3 s ALA 137 CO 0.00 0.63 0.31 -0.48 0.00 0.00 0.00 175.76 176.22 2aj3 s LEU 138 N -1.28 0.84 0.00 0.00 0.05 -0.16 -3.95 118.68 114.18 2aj3 s LEU 138 Ca 0.17 -1.24 0.00 0.00 0.05 0.00 0.00 54.13 53.11 2aj3 s LEU 138 Cb -0.12 1.05 0.00 0.00 -2.05 0.00 0.00 46.19 45.08 2aj3 s LEU 138 CO 0.07 -1.02 0.00 0.61 -0.55 0.00 0.00 176.35 175.46 2aj3 n GLY 139 N -0.36 0.92 3.07 -3.48 0.00 -0.38 -0.30 105.19 104.66 2aj3 n GLY 139 Ca 0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2aj3 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 s LEU 141 N 0.53 4.83 -0.79 0.00 2.96 0.23 -2.23 118.68 124.21 2aj3 s LEU 141 Ca -0.03 -0.74 -0.17 0.00 -0.22 0.00 0.00 54.13 52.97 2aj3 s LEU 141 Cb -0.05 -2.13 0.16 0.00 0.50 0.00 0.00 46.19 44.67 2aj3 s LEU 141 CO -0.03 -0.36 0.85 -0.69 -1.32 0.00 0.00 176.35 174.80 2aj3 s VAL 142 N 1.67 5.13 -0.01 1.68 1.01 -0.55 -0.41 120.40 128.93 2aj3 s VAL 142 Ca 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2aj3 s VAL 142 Cb -0.18 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2aj3 s VAL 142 CO 0.10 -1.19 0.04 -0.75 0.00 0.00 0.00 175.10 173.30 2aj3 s LYS 143 N 1.61 2.94 -0.72 2.72 2.20 -0.64 -1.66 119.74 126.19 2aj3 s LYS 143 Ca 0.20 -0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 2aj3 s LYS 143 Cb -0.13 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 2aj3 s LYS 143 CO -0.05 0.64 0.68 -0.25 -0.36 0.00 0.00 175.35 176.02 2aj3 n ASP 144 N 1.36 -7.57 -4.05 1.43 8.00 -0.76 -1.65 116.55 113.31 2aj3 n ASP 144 Ca -0.14 -0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.16 2aj3 n ASP 144 Cb 0.53 -5.01 -0.11 0.00 -0.02 0.00 0.00 41.12 36.51 2aj3 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2aj3 s TYR 145 N -2.95 0.55 -0.18 1.24 1.13 -0.69 -4.22 117.35 112.22 2aj3 s TYR 145 Ca 0.02 -0.62 -0.17 0.00 -1.41 0.00 0.00 57.07 54.89 2aj3 s TYR 145 Cb -0.01 -0.35 0.05 0.00 -1.10 0.00 0.00 41.96 40.55 2aj3 s TYR 145 CO 0.76 -0.16 0.48 0.12 -2.51 0.00 0.00 175.55 174.25 2aj3 s PHE 146 N -1.97 -0.53 0.00 -3.49 5.36 -0.49 0.54 117.98 117.40 2aj3 s PHE 146 Ca -0.07 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2aj3 s PHE 146 Cb -0.06 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2aj3 s PHE 146 CO -0.02 -0.26 0.00 -0.35 -1.46 0.00 0.00 175.22 173.14 2aj3 n PRO 147 N 2.83 2.90 -1.79 10.12 -0.04 -1.26 0.29 135.00 148.04 2aj3 n PRO 147 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2aj3 n PRO 147 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 2aj3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2aj3 s GLU 148 N 2.81 3.34 0.40 0.54 2.02 -1.26 -4.76 118.70 121.79 2aj3 s GLU 148 Ca 0.00 0.78 0.08 0.00 0.02 0.00 0.00 54.97 55.84 2aj3 s GLU 148 Cb 0.00 -2.05 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 2aj3 s GLU 148 CO 0.00 -0.76 0.13 -1.25 0.02 0.00 0.00 175.26 173.39 2aj3 s PRO 149 N -5.16 2.16 0.06 0.39 0.04 -1.26 -4.98 135.00 126.26 2aj3 s PRO 149 Ca 0.56 -1.87 0.07 0.00 0.04 0.00 0.00 61.00 59.81 2aj3 s PRO 149 Cb -0.12 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2aj3 s PRO 149 CO 0.54 -0.06 -0.20 0.14 0.04 0.00 0.00 177.00 177.46 2aj3 s VAL 150 N -2.60 1.62 0.16 -0.36 -7.23 -1.26 -4.54 120.40 106.19 2aj3 s VAL 150 Ca 0.39 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 2aj3 s VAL 150 Cb 0.04 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2aj3 s VAL 150 CO 0.21 0.11 -0.15 0.42 -0.31 0.00 0.00 175.10 175.38 2aj3 s THR 151 N -0.91 2.92 0.08 5.32 -4.23 -0.61 -4.98 115.64 113.23 2aj3 s THR 151 Ca 0.06 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2aj3 s THR 151 Cb -0.09 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 2aj3 s THR 151 CO 0.02 -0.02 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.26 2aj3 s VAL 152 N -1.47 1.12 0.06 2.29 1.01 -1.26 -2.03 120.40 120.11 2aj3 s VAL 152 Ca 0.21 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 2aj3 s VAL 152 Cb -0.09 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.17 2aj3 s VAL 152 CO 0.12 -0.29 0.44 -0.94 0.00 0.00 0.00 175.10 174.43 2aj3 s SER 153 N -1.92 -0.32 -0.04 3.32 1.04 -0.92 -4.96 113.70 109.91 2aj3 s SER 153 Ca 0.00 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.48 2aj3 s SER 153 Cb -0.08 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 2aj3 s SER 153 CO 0.02 -0.70 -0.18 0.26 0.98 0.00 0.00 173.24 173.61 2aj3 s TRP 154 N -2.65 2.58 -1.36 5.02 0.52 -1.26 0.14 118.94 121.94 2aj3 s TRP 154 Ca -0.04 -0.25 -0.05 0.00 0.02 0.00 0.00 56.10 55.77 2aj3 s TRP 154 Cb -0.00 -1.59 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2aj3 s TRP 154 CO -0.04 0.11 0.47 0.09 0.02 0.00 0.00 176.95 177.61 2aj3 n ASN 155 N 2.36 -1.29 -4.16 2.95 5.03 0.28 -1.03 115.26 119.40 2aj3 n ASN 155 Ca -0.17 -1.04 -0.33 0.00 0.87 0.00 0.00 54.58 53.91 2aj3 n ASN 155 Cb 0.52 -2.96 -0.03 0.00 -1.02 0.00 0.00 39.78 36.28 2aj3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2aj3 n SER 156 N -2.89 -2.19 0.00 6.41 7.64 -1.26 0.09 113.62 121.43 2aj3 n SER 156 Ca -0.27 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2aj3 n SER 156 Cb 0.66 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 2aj3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aj3 n GLY 157 N -1.64 0.91 0.12 0.23 0.00 -0.20 -4.90 105.19 99.72 2aj3 n GLY 157 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2aj3 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 h ALA 158 N 0.00 0.43 -2.94 4.61 0.00 -0.04 -3.43 119.26 117.89 2aj3 h ALA 158 Ca 0.00 -0.77 -0.65 0.00 0.00 0.00 0.00 54.91 53.49 2aj3 h ALA 158 Cb 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 17.50 2aj3 h ALA 158 CO 0.00 0.96 -0.60 -1.17 0.00 0.00 0.00 179.25 178.44 2aj3 s LEU 159 N -7.31 3.59 0.00 0.00 0.20 -1.00 -4.88 118.68 109.28 2aj3 s LEU 159 Ca -0.03 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2aj3 s LEU 159 Cb 0.10 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 2aj3 s LEU 159 CO 0.84 -0.05 0.00 0.35 -0.29 0.00 0.00 176.35 177.19 2aj3 n THR 160 N 4.95 0.00 -2.01 3.68 -2.24 -1.26 -4.00 114.28 113.39 2aj3 n THR 160 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2aj3 n THR 160 Cb 0.51 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 2aj3 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2aj3 s SER 161 N -1.31 6.67 -0.17 3.42 0.15 -1.26 -2.49 113.70 118.71 2aj3 s SER 161 Ca 0.00 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.09 2aj3 s SER 161 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2aj3 s SER 161 CO 0.00 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2aj3 n GLY 162 N 3.79 0.50 3.78 9.45 0.00 -1.26 -4.74 105.19 116.71 2aj3 n GLY 162 Ca 0.14 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2aj3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aj3 s VAL 163 N -1.88 4.41 -0.19 1.61 1.01 -1.04 -2.93 120.40 121.39 2aj3 s VAL 163 Ca 0.00 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 2aj3 s VAL 163 Cb 0.00 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.35 2aj3 s VAL 163 CO 0.00 0.51 0.08 -1.00 0.00 0.00 0.00 175.10 174.68 2aj3 s HIS 164 N -1.17 0.53 -0.30 5.22 3.76 0.32 -4.98 115.29 118.67 2aj3 s HIS 164 Ca 0.35 -0.59 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 2aj3 s HIS 164 Cb -0.22 -0.85 -0.00 0.00 1.11 0.00 0.00 32.58 32.61 2aj3 s HIS 164 CO 0.25 -0.59 0.13 0.99 -0.85 0.00 0.00 174.74 174.67 2aj3 s THR 165 N 2.03 4.41 0.57 1.30 2.01 -1.26 0.08 115.64 124.78 2aj3 s THR 165 Ca 0.02 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 2aj3 s THR 165 Cb -0.16 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2aj3 s THR 165 CO -0.12 0.09 1.00 -0.36 -0.69 0.00 0.00 174.62 174.55 2aj3 s PHE 166 N 1.58 3.56 0.37 4.92 0.40 0.66 -4.98 117.98 124.49 2aj3 s PHE 166 Ca 0.04 1.34 -0.28 0.00 -0.60 0.00 0.00 56.93 57.43 2aj3 s PHE 166 Cb -0.17 -2.73 -0.10 0.00 0.51 0.00 0.00 43.02 40.53 2aj3 s PHE 166 CO 0.05 -0.55 1.40 -2.14 0.70 0.00 0.00 175.22 174.68 2aj3 s PRO 167 N -4.75 4.17 0.72 0.24 0.02 -1.26 -4.47 135.00 129.67 2aj3 s PRO 167 Ca 0.56 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.87 2aj3 s PRO 167 Cb -0.11 -2.97 0.03 0.00 0.02 0.00 0.00 34.50 31.47 2aj3 s PRO 167 CO 0.45 -0.42 1.08 0.00 -0.33 0.00 0.00 177.00 177.78 2aj3 s ALA 168 N -1.14 2.47 0.02 -1.55 0.00 -1.26 -4.78 121.76 115.52 2aj3 s ALA 168 Ca 0.52 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2aj3 s ALA 168 Cb -0.43 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2aj3 s ALA 168 CO 0.58 -1.46 -0.20 0.08 0.00 0.00 0.00 175.76 174.75 2aj3 s VAL 169 N -2.92 1.63 -0.18 0.00 1.01 -0.60 -4.93 120.40 114.42 2aj3 s VAL 169 Ca 0.60 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2aj3 s VAL 169 Cb -0.16 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2aj3 s VAL 169 CO 0.54 0.30 0.43 -0.22 0.00 0.00 0.00 175.10 176.15 2aj3 s LEU 170 N -0.90 4.19 0.30 3.92 0.20 -1.26 -1.39 118.68 123.74 2aj3 s LEU 170 Ca 0.07 0.63 -0.03 0.00 0.69 0.00 0.00 54.13 55.49 2aj3 s LEU 170 Cb -0.08 -2.59 -0.05 0.00 -0.43 0.00 0.00 46.19 43.04 2aj3 s LEU 170 CO 0.01 -0.06 0.55 -1.10 -0.29 0.00 0.00 176.35 175.46 2aj3 s GLN 171 N 1.12 3.58 0.45 1.98 -0.21 -0.13 -4.94 119.66 121.52 2aj3 s GLN 171 Ca 0.22 -0.09 0.23 0.00 0.02 0.00 0.00 55.36 55.73 2aj3 s GLN 171 Cb -0.15 -2.65 1.24 0.00 1.00 0.00 0.00 33.01 32.45 2aj3 s GLN 171 CO 0.08 0.19 1.66 0.66 -2.12 0.00 0.00 175.29 175.77 2aj3 h SER 172 N 1.43 0.00 0.57 5.90 4.64 -1.98 0.82 113.55 124.94 2aj3 h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2aj3 h SER 172 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2aj3 h SER 172 CO 0.65 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 2aj3 n SER 173 N -2.43 0.00 0.00 4.97 3.41 -1.26 -4.83 113.62 113.48 2aj3 n SER 173 Ca -0.02 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2aj3 n SER 173 Cb 0.25 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2aj3 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aj3 n GLY 174 N 0.35 0.81 3.76 5.00 0.00 0.28 -5.03 105.19 110.37 2aj3 n GLY 174 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2aj3 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 175 N 0.00 3.75 0.47 0.99 1.43 -1.24 -4.87 118.68 119.22 2aj3 s LEU 175 Ca 0.00 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2aj3 s LEU 175 Cb 0.00 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2aj3 s LEU 175 CO 0.00 0.17 0.74 -0.31 0.23 0.00 0.00 176.35 177.18 2aj3 s TYR 176 N -1.39 3.48 -0.30 0.29 2.02 0.19 -0.95 117.35 120.69 2aj3 s TYR 176 Ca 0.29 0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 57.52 2aj3 s TYR 176 Cb -0.12 -2.28 0.12 0.00 -0.40 0.00 0.00 41.96 39.28 2aj3 s TYR 176 CO 0.22 -0.28 0.66 0.45 -1.57 0.00 0.00 175.55 175.03 2aj3 s SER 177 N -4.13 -1.10 0.40 2.29 0.15 -0.49 -1.70 113.70 109.12 2aj3 s SER 177 Ca 0.47 1.56 0.04 0.00 0.70 0.00 0.00 55.95 58.72 2aj3 s SER 177 Cb -0.10 2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 66.26 2aj3 s SER 177 CO 0.42 -0.22 0.14 -1.48 1.20 0.00 0.00 173.24 173.30 2aj3 s LEU 178 N 2.59 1.97 0.00 3.45 0.05 -0.66 -1.56 118.68 124.52 2aj3 s LEU 178 Ca -0.07 -1.67 -0.02 0.00 0.05 0.00 0.00 54.13 52.42 2aj3 s LEU 178 Cb -0.10 -0.07 -0.01 0.00 -2.05 0.00 0.00 46.19 43.96 2aj3 s LEU 178 CO -0.19 -0.93 0.04 -0.94 -0.55 0.00 0.00 176.35 173.77 2aj3 s SER 179 N -3.58 0.10 -0.05 1.48 1.04 -1.26 -1.48 113.70 109.95 2aj3 s SER 179 Ca 0.25 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2aj3 s SER 179 Cb 0.03 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2aj3 s SER 179 CO 0.15 -0.24 -0.11 -0.55 0.98 0.00 0.00 173.24 173.48 2aj3 s SER 180 N -1.02 1.54 0.36 7.02 0.15 -0.95 -0.25 113.70 120.56 2aj3 s SER 180 Ca -0.11 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2aj3 s SER 180 Cb -0.07 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 2aj3 s SER 180 CO -0.00 0.05 0.11 0.68 1.20 0.00 0.00 173.24 175.28 2aj3 s VAL 181 N 0.44 0.73 -0.28 4.45 -7.23 0.11 -0.30 120.40 118.32 2aj3 s VAL 181 Ca -0.09 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.85 2aj3 s VAL 181 Cb -0.13 -2.52 0.09 0.00 0.56 0.00 0.00 36.38 34.38 2aj3 s VAL 181 CO 0.02 0.00 0.79 0.54 -0.31 0.00 0.00 175.10 176.14 2aj3 s VAL 182 N -3.34 0.00 -0.19 1.32 0.11 0.59 -0.52 120.40 118.37 2aj3 s VAL 182 Ca 0.30 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 2aj3 s VAL 182 Cb 0.05 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2aj3 s VAL 182 CO 0.15 0.00 0.13 0.42 -3.33 0.00 0.00 175.10 172.47 2aj3 s THR 183 N 0.65 5.42 0.15 5.04 -4.23 -1.15 -0.99 115.64 120.53 2aj3 s THR 183 Ca -0.02 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.71 2aj3 s THR 183 Cb -0.05 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 2aj3 s THR 183 CO -0.05 0.45 -0.03 0.54 -0.54 0.00 0.00 174.62 174.98 2aj3 s VAL 184 N 0.26 0.77 0.25 2.29 0.11 0.18 -4.78 120.40 119.48 2aj3 s VAL 184 Ca 0.09 -1.98 -0.31 0.00 -2.93 0.00 0.00 61.98 56.85 2aj3 s VAL 184 Cb -0.11 -1.96 -0.11 0.00 -1.53 0.00 0.00 36.38 32.67 2aj3 s VAL 184 CO -0.01 -0.63 1.64 -2.84 -3.33 0.00 0.00 175.10 169.92 2aj3 s PRO 185 N -3.86 4.13 0.45 1.54 0.02 -1.26 -0.64 135.00 135.38 2aj3 s PRO 185 Ca 0.19 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.90 2aj3 s PRO 185 Cb 0.05 -3.05 1.02 0.00 0.02 0.00 0.00 34.50 32.54 2aj3 s PRO 185 CO 0.01 -0.67 2.07 0.77 -0.33 0.00 0.00 177.00 178.85 2aj3 h SER 186 N 5.71 0.23 -0.80 2.53 0.02 0.03 -2.77 113.55 118.48 2aj3 h SER 186 Ca -0.45 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2aj3 h SER 186 Cb 1.21 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 2aj3 h SER 186 CO 0.86 0.20 0.33 0.77 -1.14 0.00 0.00 176.83 177.86 2aj3 h SER 187 N 0.26 1.10 0.55 3.07 4.64 -1.89 -2.30 113.55 118.98 2aj3 h SER 187 Ca 0.07 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2aj3 h SER 187 Cb 0.04 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2aj3 h SER 187 CO -0.01 0.97 0.00 -1.54 -0.87 0.00 0.00 176.83 175.38 2aj3 n SER 188 N -4.28 0.00 0.32 4.97 3.41 -1.05 -3.79 113.62 113.20 2aj3 n SER 188 Ca 0.07 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 2aj3 n SER 188 Cb 0.18 -0.48 0.67 0.00 -0.26 0.00 0.00 64.21 64.32 2aj3 n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aj3 h LEU 189 N 0.00 0.00 0.00 1.04 3.38 -1.46 0.68 115.31 118.95 2aj3 h LEU 189 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2aj3 h LEU 189 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2aj3 h LEU 189 CO 0.00 0.00 -2.38 0.61 0.09 0.00 0.00 178.44 176.76 2aj3 n GLY 190 N -1.26 -0.87 0.09 0.83 0.00 -1.25 -4.69 105.19 98.04 2aj3 n GLY 190 Ca -0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2aj3 n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2aj3 h THR 191 N 0.00 0.91 -3.46 2.61 1.35 -1.43 -3.47 112.91 109.42 2aj3 h THR 191 Ca -0.55 -2.01 -0.52 0.00 -0.55 0.00 0.00 66.41 62.78 2aj3 h THR 191 Cb 2.17 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 2aj3 h THR 191 CO 0.01 0.31 0.48 -1.58 -0.25 0.00 0.00 175.52 174.49 2aj3 s GLN 192 N -2.29 4.56 -0.14 4.72 2.00 0.10 -5.02 119.66 123.58 2aj3 s GLN 192 Ca -0.24 1.69 -0.22 0.00 -2.00 0.00 0.00 55.36 54.59 2aj3 s GLN 192 Cb 0.04 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 30.50 2aj3 s GLN 192 CO 0.54 -0.01 0.66 0.99 -0.50 0.00 0.00 175.29 176.97 2aj3 s THR 193 N 0.20 5.03 -0.17 -0.34 2.01 -1.26 -4.82 115.64 116.30 2aj3 s THR 193 Ca 0.52 1.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.79 2aj3 s THR 193 Cb -0.28 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2aj3 s THR 193 CO 0.33 0.18 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.05 2aj3 s TYR 194 N 1.38 2.93 -0.09 4.92 2.02 -1.26 -4.94 117.35 122.31 2aj3 s TYR 194 Ca 0.33 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2aj3 s TYR 194 Cb -0.16 -1.98 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2aj3 s TYR 194 CO 0.13 -0.30 0.14 0.96 -1.57 0.00 0.00 175.55 174.92 2aj3 s ILE 195 N 0.81 -0.23 -0.02 2.71 -4.36 -1.26 -0.98 121.20 117.86 2aj3 s ILE 195 Ca -0.02 0.29 -0.26 0.00 -0.26 0.00 0.00 60.65 60.39 2aj3 s ILE 195 Cb -0.15 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.20 2aj3 s ILE 195 CO 0.01 0.09 0.83 0.00 0.24 0.00 0.00 174.94 176.11 2aj3 s ASN 197 N 0.80 6.10 -0.14 0.00 -0.87 0.37 -1.73 114.94 119.48 2aj3 s ASN 197 Ca 0.44 -1.29 -0.08 0.00 -1.57 0.00 0.00 52.86 50.36 2aj3 s ASN 197 Cb -0.19 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 2aj3 s ASN 197 CO 0.23 -0.61 0.16 -0.69 -2.57 0.00 0.00 177.10 173.61 2aj3 s VAL 198 N 1.63 5.46 -0.03 1.60 1.01 0.21 -2.16 120.40 128.12 2aj3 s VAL 198 Ca 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2aj3 s VAL 198 Cb -0.24 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2aj3 s VAL 198 CO 0.07 0.57 0.04 0.21 0.00 0.00 0.00 175.10 175.98 2aj3 s ASN 199 N -0.64 0.49 -0.40 3.32 3.04 -0.86 -0.75 114.94 119.13 2aj3 s ASN 199 Ca 0.14 0.05 0.01 0.00 0.04 0.00 0.00 52.86 53.10 2aj3 s ASN 199 Cb -0.12 -0.11 0.13 0.00 -1.54 0.00 0.00 41.25 39.61 2aj3 s ASN 199 CO 0.03 -0.17 0.20 -2.28 -3.04 0.00 0.00 177.10 171.84 2aj3 s HIS 200 N 1.48 1.78 0.23 0.43 5.65 0.12 -1.57 115.29 123.40 2aj3 s HIS 200 Ca -0.04 -2.17 -0.08 0.00 0.25 0.00 0.00 55.06 53.02 2aj3 s HIS 200 Cb -0.13 -1.74 0.20 0.00 -1.18 0.00 0.00 32.58 29.74 2aj3 s HIS 200 CO -0.03 -0.81 1.88 0.87 -0.65 0.00 0.00 174.74 176.00 2aj3 h LYS 201 N 7.10 1.17 -1.08 2.88 1.57 -1.80 -0.88 116.57 125.52 2aj3 h LYS 201 Ca -0.03 -0.09 0.33 0.00 -1.87 0.00 0.00 60.65 58.99 2aj3 h LYS 201 Cb 0.95 -0.25 -0.13 0.00 0.08 0.00 0.00 32.23 32.88 2aj3 h LYS 201 CO 0.45 0.81 0.66 -1.35 -0.57 0.00 0.00 179.45 179.45 2aj3 h PRO 202 N 1.20 0.29 -0.13 3.15 0.11 -1.93 0.12 132.00 134.82 2aj3 h PRO 202 Ca 0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2aj3 h PRO 202 Cb -0.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 30.96 2aj3 h PRO 202 CO -0.06 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 176.79 2aj3 n SER 203 N -4.87 3.09 -4.24 -2.05 3.41 -1.10 -4.96 113.62 102.90 2aj3 n SER 203 Ca 0.31 -3.04 -0.31 0.00 -0.26 0.00 0.00 58.87 55.57 2aj3 n SER 203 Cb 1.05 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 2aj3 n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aj3 n ASN 204 N -0.98 -0.15 -4.49 4.04 4.05 0.42 -4.77 115.26 113.38 2aj3 n ASN 204 Ca 0.18 -1.18 -0.36 0.00 0.45 0.00 0.00 54.58 53.68 2aj3 n ASN 204 Cb 0.76 -2.11 -0.12 0.00 1.23 0.00 0.00 39.78 39.54 2aj3 n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2aj3 s THR 205 N -4.02 4.39 -0.27 -0.44 2.01 -0.40 -4.99 115.64 111.92 2aj3 s THR 205 Ca 0.18 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2aj3 s THR 205 Cb -0.10 -3.03 0.08 0.00 0.01 0.00 0.00 72.50 69.45 2aj3 s THR 205 CO 0.97 0.37 0.00 -0.75 -0.69 0.00 0.00 174.62 174.52 2aj3 s LYS 206 N 1.29 1.33 -0.09 4.92 2.20 -1.26 -0.70 119.74 127.42 2aj3 s LYS 206 Ca 0.05 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 54.57 2aj3 s LYS 206 Cb -0.15 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 2aj3 s LYS 206 CO 0.03 -0.74 -0.19 0.08 -0.36 0.00 0.00 175.35 174.17 2aj3 s VAL 207 N 1.39 2.56 -0.25 4.02 1.01 0.07 -4.99 120.40 124.20 2aj3 s VAL 207 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2aj3 s VAL 207 Cb -0.18 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2aj3 s VAL 207 CO -0.11 0.56 -0.11 -1.81 0.00 0.00 0.00 175.10 173.63 2aj3 s ASP 208 N -0.00 4.29 -0.10 3.32 1.01 -1.26 0.67 116.67 124.60 2aj3 s ASP 208 Ca -0.06 -1.27 0.01 0.00 0.71 0.00 0.00 52.55 51.94 2aj3 s ASP 208 Cb -0.15 -1.55 -0.02 0.00 1.01 0.00 0.00 42.92 42.21 2aj3 s ASP 208 CO 0.05 -0.17 -0.13 -0.75 0.21 0.00 0.00 175.17 174.39 2aj3 s LYS 209 N 1.14 3.07 -0.06 8.23 2.47 -0.70 -4.98 119.74 128.91 2aj3 s LYS 209 Ca -0.06 -0.67 -0.16 0.00 -1.56 0.00 0.00 55.97 53.51 2aj3 s LYS 209 Cb -0.19 -2.56 -0.05 0.00 -1.46 0.00 0.00 37.83 33.57 2aj3 s LYS 209 CO -0.06 0.38 0.42 0.21 0.16 0.00 0.00 175.35 176.46 2aj3 s LYS 210 N -0.08 4.12 -0.36 4.03 2.20 -1.26 -1.52 119.74 126.88 2aj3 s LYS 210 Ca -0.02 0.38 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 2aj3 s LYS 210 Cb -0.14 -3.33 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2aj3 s LYS 210 CO 0.04 0.43 0.15 0.08 -0.36 0.00 0.00 175.35 175.69 2aj3 s VAL 211 N -0.24 4.02 0.03 4.02 1.01 -0.15 -4.94 120.40 124.15 2aj3 s VAL 211 Ca 0.23 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2aj3 s VAL 211 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2aj3 s VAL 211 CO 0.11 -0.26 0.20 -1.61 0.00 0.00 0.00 175.10 173.55 2aj3 s GLU 212 N 1.43 3.45 0.85 2.72 2.02 -1.26 -4.48 118.70 123.42 2aj3 s GLU 212 Ca 0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 2aj3 s GLU 212 Cb -0.20 -3.06 0.11 0.00 0.10 0.00 0.00 34.13 31.08 2aj3 s GLU 212 CO 0.03 0.63 1.16 -2.14 0.02 0.00 0.00 175.26 174.97 2aj3 s PRO 213 N -2.26 1.48 -0.19 0.39 0.02 -1.26 -4.34 135.00 128.84 2aj3 s PRO 213 Ca 0.32 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.87 2aj3 s PRO 213 Cb -0.13 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.67 2aj3 s PRO 213 CO 0.24 -2.29 0.04 0.21 -0.33 0.00 0.00 177.00 174.86 2aj3 s LYS 214 N -4.48 0.60 0.00 5.54 2.20 -0.58 -4.92 119.74 118.09 2aj3 s LYS 214 Ca 0.68 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2aj3 s LYS 214 Cb -0.24 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2aj3 s LYS 214 CO 0.54 -0.63 0.00 -1.13 -0.36 0.00 0.00 175.35 173.78 2aj3 n SER 215 N 5.08 0.00 -1.00 1.43 3.41 -1.26 -4.52 113.62 116.75 2aj3 n SER 215 Ca -0.09 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 58.08 2aj3 n SER 215 Cb 0.47 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.69 2aj3 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88