#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 2.05 -0.01 1.45 -0.21 -0.28 -4.96 119.66 117.70 2aj3 s GLN 3 Ca 0.00 -1.57 0.04 0.00 0.02 0.00 0.00 55.36 53.85 2aj3 s GLN 3 Cb 0.00 -2.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 2aj3 s GLN 3 CO 0.00 0.34 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.87 2aj3 s LEU 4 N -3.61 2.00 -0.10 2.90 1.02 -1.26 -1.32 118.68 118.30 2aj3 s LEU 4 Ca 0.31 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.19 2aj3 s LEU 4 Cb -0.06 -0.70 0.04 0.00 0.02 0.00 0.00 46.19 45.49 2aj3 s LEU 4 CO 0.18 0.16 0.03 -0.22 0.02 0.00 0.00 176.35 176.51 2aj3 s LEU 5 N -0.25 0.60 0.49 1.79 2.96 -1.11 -4.64 118.68 118.52 2aj3 s LEU 5 Ca 0.04 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2aj3 s LEU 5 Cb -0.06 -0.40 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 2aj3 s LEU 5 CO -0.00 -0.24 0.74 -1.83 -1.32 0.00 0.00 176.35 173.70 2aj3 s GLU 6 N 2.00 3.07 -0.15 1.98 1.03 -1.26 -0.69 118.70 124.69 2aj3 s GLU 6 Ca 0.04 -0.30 -0.08 0.00 0.03 0.00 0.00 54.97 54.65 2aj3 s GLU 6 Cb -0.13 -2.47 0.05 0.00 -0.80 0.00 0.00 34.13 30.78 2aj3 s GLU 6 CO -0.06 -0.37 0.36 -1.54 -1.33 0.00 0.00 175.26 172.32 2aj3 s SER 7 N -4.23 -0.43 0.28 0.83 1.04 0.46 -4.95 113.70 106.71 2aj3 s SER 7 Ca 0.49 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.72 2aj3 s SER 7 Cb -0.10 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2aj3 s SER 7 CO 0.40 -0.18 0.26 -0.83 0.98 0.00 0.00 173.24 173.88 2aj3 s GLY 8 N 1.25 1.81 0.03 7.32 0.00 -1.26 -1.64 107.32 114.82 2aj3 s GLY 8 Ca -0.09 -1.81 0.26 0.00 0.00 0.00 0.00 44.72 43.09 2aj3 s GLY 8 CO -0.10 -1.34 1.83 -1.05 0.00 0.00 0.00 173.10 172.44 2aj3 n PRO 9 N -0.48 0.03 0.00 2.90 -0.02 -1.26 -4.93 135.00 131.25 2aj3 n PRO 9 Ca 0.04 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2aj3 n PRO 9 Cb 0.64 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2aj3 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aj3 n GLY 10 N 1.18 1.58 3.18 -1.23 0.00 -1.26 -4.80 105.19 103.85 2aj3 n GLY 10 Ca 0.06 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2aj3 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aj3 s VAL 11 N 0.00 1.75 -0.04 1.61 1.01 -1.26 -1.28 120.40 122.18 2aj3 s VAL 11 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2aj3 s VAL 11 Cb 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2aj3 s VAL 11 CO 0.00 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.79 2aj3 s VAL 12 N 0.19 1.00 0.43 2.92 1.01 0.31 -4.94 120.40 121.31 2aj3 s VAL 12 Ca -0.10 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2aj3 s VAL 12 Cb -0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 2aj3 s VAL 12 CO 0.05 0.31 0.84 -0.54 0.00 0.00 0.00 175.10 175.76 2aj3 s LYS 13 N 0.31 3.88 0.28 2.72 1.02 -1.25 -1.22 119.74 125.47 2aj3 s LYS 13 Ca -0.06 0.67 -0.30 0.00 0.02 0.00 0.00 55.97 56.29 2aj3 s LYS 13 Cb -0.11 -2.31 -0.12 0.00 -0.52 0.00 0.00 37.83 34.77 2aj3 s LYS 13 CO 0.02 -0.09 1.61 -2.30 -0.92 0.00 0.00 175.35 173.67 2aj3 n PRO 14 N -1.25 2.69 0.00 -1.68 -0.02 -1.26 -2.01 135.00 131.47 2aj3 n PRO 14 Ca 0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2aj3 n PRO 14 Cb 0.54 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2aj3 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2aj3 n SER 15 N 2.40 0.00 -4.83 2.55 3.41 -0.65 -4.96 113.62 111.54 2aj3 n SER 15 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.40 2aj3 n SER 15 Cb 0.36 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2aj3 n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2aj3 s GLU 16 N -0.54 2.83 -0.19 4.33 2.02 -0.85 -3.92 118.70 122.37 2aj3 s GLU 16 Ca 0.00 0.80 -0.16 0.00 0.02 0.00 0.00 54.97 55.63 2aj3 s GLU 16 Cb 0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2aj3 s GLU 16 CO 0.00 -1.14 0.41 0.99 0.02 0.00 0.00 175.26 175.54 2aj3 s THR 17 N -3.12 5.20 0.11 3.63 2.01 -1.26 -2.92 115.64 119.28 2aj3 s THR 17 Ca 0.58 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 2aj3 s THR 17 Cb -0.13 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 2aj3 s THR 17 CO 0.54 0.26 1.14 -0.22 -0.69 0.00 0.00 174.62 175.65 2aj3 s LEU 18 N 1.25 4.42 -0.17 4.42 2.96 0.11 -4.85 118.68 126.82 2aj3 s LEU 18 Ca 0.20 2.03 -0.01 0.00 -0.22 0.00 0.00 54.13 56.12 2aj3 s LEU 18 Cb -0.15 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.00 2aj3 s LEU 18 CO 0.08 -0.35 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.20 2aj3 s SER 19 N 0.56 2.81 0.11 3.68 0.15 -1.26 -1.01 113.70 118.74 2aj3 s SER 19 Ca 0.54 -0.71 0.10 0.00 0.70 0.00 0.00 55.95 56.58 2aj3 s SER 19 Cb -0.29 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 2aj3 s SER 19 CO 0.32 -0.24 -0.24 -0.76 1.20 0.00 0.00 173.24 173.51 2aj3 s LEU 20 N 1.75 2.30 0.11 3.45 1.43 -0.51 -4.44 118.68 122.78 2aj3 s LEU 20 Ca -0.00 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2aj3 s LEU 20 Cb -0.16 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2aj3 s LEU 20 CO -0.07 0.13 -0.10 0.42 0.23 0.00 0.00 176.35 176.96 2aj3 s THR 21 N -1.09 0.96 -0.08 5.49 -4.23 -0.65 -1.01 115.64 115.02 2aj3 s THR 21 Ca 0.11 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2aj3 s THR 21 Cb -0.10 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.29 2aj3 s THR 21 CO 0.05 -0.62 -0.09 0.00 -0.54 0.00 0.00 174.62 173.42 2aj3 s THR 23 N 1.20 4.73 0.12 0.00 2.01 0.13 -1.97 115.64 121.87 2aj3 s THR 23 Ca -0.05 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2aj3 s THR 23 Cb -0.14 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 2aj3 s THR 23 CO -0.02 0.10 0.93 -0.69 -0.69 0.00 0.00 174.62 174.25 2aj3 s VAL 24 N 1.64 4.46 0.07 3.82 1.01 -1.06 -2.74 120.40 127.61 2aj3 s VAL 24 Ca 0.05 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.11 2aj3 s VAL 24 Cb -0.17 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2aj3 s VAL 24 CO 0.07 0.36 -0.18 -0.44 0.00 0.00 0.00 175.10 174.91 2aj3 s SER 25 N -0.22 2.12 -1.23 3.32 0.01 -0.44 -4.80 113.70 112.46 2aj3 s SER 25 Ca 0.45 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 2aj3 s SER 25 Cb -0.23 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2aj3 s SER 25 CO 0.29 0.03 0.12 0.61 0.41 0.00 0.00 173.24 174.70 2aj3 n GLY 26 N 1.39 -0.23 0.00 3.44 0.00 -1.26 -1.13 105.19 107.41 2aj3 n GLY 26 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2aj3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 n ALA 27 N -2.07 0.00 -2.65 4.61 0.00 -1.26 -3.80 120.51 115.34 2aj3 n ALA 27 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2aj3 n ALA 27 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2aj3 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2aj3 s SER 28 N 0.00 6.93 0.53 0.00 0.01 -1.26 -4.90 113.70 115.01 2aj3 s SER 28 Ca 0.00 1.16 0.26 0.00 1.31 0.00 0.00 55.95 58.68 2aj3 s SER 28 Cb 0.00 -2.47 1.41 0.00 0.21 0.00 0.00 66.02 65.17 2aj3 s SER 28 CO 0.00 -0.56 1.99 1.62 0.41 0.00 0.00 173.24 176.70 2aj3 h VAL 29 N 5.42 0.70 -0.56 3.43 3.04 -1.91 -2.30 116.25 124.07 2aj3 h VAL 29 Ca -0.22 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.41 2aj3 h VAL 29 Cb 1.08 0.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 2aj3 h VAL 29 CO 0.91 0.00 0.12 -1.13 -1.01 0.00 0.00 177.57 176.46 2aj3 h ASN 30 N 0.00 0.81 -1.18 3.17 -1.24 -1.96 -3.27 115.58 111.91 2aj3 h ASN 30 Ca 0.26 -0.15 -0.69 0.00 0.71 0.00 0.00 56.30 56.42 2aj3 h ASN 30 Cb 1.06 -0.21 -0.28 0.00 0.73 0.00 0.00 38.32 39.61 2aj3 h ASN 30 CO -0.00 0.80 0.91 -0.46 -1.29 0.00 0.00 177.43 177.39 2aj3 n ASN 31 N -4.26 7.67 -3.46 1.15 0.23 -0.86 -4.71 115.26 111.02 2aj3 n ASN 31 Ca 0.04 -3.79 -0.12 0.00 -0.53 0.00 0.00 54.58 50.18 2aj3 n ASN 31 Cb 0.24 -1.00 -0.03 0.00 -2.08 0.00 0.00 39.78 36.91 2aj3 n ASN 31 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2aj3 s TYR 32 N -3.85 -0.52 0.10 -2.53 2.02 -1.24 -5.01 117.35 106.33 2aj3 s TYR 32 Ca 0.62 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.79 2aj3 s TYR 32 Cb 0.49 0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 42.54 2aj3 s TYR 32 CO -0.09 -0.74 0.15 0.71 -1.57 0.00 0.00 175.55 174.01 2aj3 s TYR 33 N -3.15 3.30 0.31 2.71 2.02 -1.26 -4.72 117.35 116.56 2aj3 s TYR 33 Ca -0.00 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2aj3 s TYR 33 Cb -0.01 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2aj3 s TYR 33 CO -0.08 0.54 0.09 -1.58 -1.57 0.00 0.00 175.55 172.95 2aj3 s TRP 34 N -1.53 1.73 0.19 2.71 0.52 -0.88 -1.23 118.94 120.46 2aj3 s TRP 34 Ca 0.32 -1.14 -0.11 0.00 0.02 0.00 0.00 56.10 55.19 2aj3 s TRP 34 Cb -0.12 -1.07 -0.00 0.00 -1.15 0.00 0.00 33.47 31.13 2aj3 s TRP 34 CO 0.25 -0.23 0.37 -0.08 0.02 0.00 0.00 176.95 177.28 2aj3 s THR 35 N -3.50 0.04 -0.06 2.01 -1.32 0.23 -0.78 115.64 112.25 2aj3 s THR 35 Ca 0.35 -1.31 0.04 0.00 -1.21 0.00 0.00 61.69 59.57 2aj3 s THR 35 Cb 0.07 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2aj3 s THR 35 CO 0.15 -0.18 -0.18 0.26 -2.21 0.00 0.00 174.62 172.46 2aj3 s TRP 36 N -3.97 1.93 0.00 9.09 0.52 -0.85 -0.98 118.94 124.67 2aj3 s TRP 36 Ca 0.18 -0.65 0.05 0.00 0.02 0.00 0.00 56.10 55.70 2aj3 s TRP 36 Cb 0.02 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 31.01 2aj3 s TRP 36 CO 0.02 -0.25 -0.15 0.08 0.02 0.00 0.00 176.95 176.68 2aj3 s VAL 37 N 0.22 1.16 0.07 4.03 1.01 0.66 -0.89 120.40 126.65 2aj3 s VAL 37 Ca -0.09 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2aj3 s VAL 37 Cb -0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2aj3 s VAL 37 CO 0.04 0.25 -0.17 0.00 0.00 0.00 0.00 175.10 175.22 2aj3 s ARG 38 N -0.53 1.00 -0.23 2.72 1.70 -0.54 0.12 118.95 123.19 2aj3 s ARG 38 Ca 0.05 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.30 2aj3 s ARG 38 Cb -0.06 -1.11 0.07 0.00 -0.57 0.00 0.00 34.95 33.28 2aj3 s ARG 38 CO -0.00 0.26 0.02 -1.14 -1.08 0.00 0.00 175.30 173.36 2aj3 s GLN 39 N -1.64 0.95 0.75 3.89 0.74 -0.06 -0.13 119.66 124.15 2aj3 s GLN 39 Ca 0.02 -0.72 -0.14 0.00 0.05 0.00 0.00 55.36 54.57 2aj3 s GLN 39 Cb -0.10 -2.24 0.05 0.00 1.10 0.00 0.00 33.01 31.83 2aj3 s GLN 39 CO 0.03 -0.70 1.18 -2.14 -0.55 0.00 0.00 175.29 173.11 2aj3 s PRO 40 N 1.67 2.05 0.21 1.67 0.02 -1.25 -1.31 135.00 138.06 2aj3 s PRO 40 Ca -0.00 1.65 -0.32 0.00 0.02 0.00 0.00 61.00 62.35 2aj3 s PRO 40 Cb -0.18 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 2aj3 s PRO 40 CO -0.11 -1.88 1.62 -2.30 -0.33 0.00 0.00 177.00 174.00 2aj3 n PRO 41 N -2.96 2.48 0.00 5.54 -0.02 -1.26 -1.86 135.00 136.92 2aj3 n PRO 41 Ca 0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2aj3 n PRO 41 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 3.24 2.58 1.26 -1.23 0.00 -1.26 -4.99 105.19 104.78 2aj3 n GLY 42 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.93 1.08 0.00 1.61 5.02 -0.78 -5.14 118.16 118.02 2aj3 n LYS 43 Ca 0.00 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 2aj3 n LYS 43 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 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 2.77 -1.43 3.65 0.72 0.00 -1.26 -4.59 105.19 105.05 2aj3 n GLY 44 Ca 0.02 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 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 3.40 -0.08 0.99 1.43 -1.26 -3.94 118.68 119.22 2aj3 s LEU 45 Ca 0.00 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2aj3 s LEU 45 Cb 0.00 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2aj3 s LEU 45 CO 0.00 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.13 2aj3 s GLU 46 N -1.38 1.10 0.12 1.70 2.12 0.81 -4.98 118.70 118.18 2aj3 s GLU 46 Ca 0.18 -0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 2aj3 s GLU 46 Cb -0.11 -1.23 -0.08 0.00 0.26 0.00 0.00 34.13 32.97 2aj3 s GLU 46 CO 0.08 -0.22 1.35 -0.46 -0.54 0.00 0.00 175.26 175.47 2aj3 s TRP 47 N 1.57 3.27 -0.21 5.30 -0.00 -1.26 -1.47 118.94 126.15 2aj3 s TRP 47 Ca 0.00 1.04 0.03 0.00 -0.00 0.00 0.00 56.10 57.18 2aj3 s TRP 47 Cb -0.13 -3.63 -0.20 0.00 -0.00 0.00 0.00 33.47 29.50 2aj3 s TRP 47 CO -0.05 -2.16 -0.02 -0.89 -0.00 0.00 0.00 176.95 173.83 2aj3 n ILE 48 N 3.74 1.54 0.00 5.86 5.41 -0.07 -4.63 119.36 131.21 2aj3 n ILE 48 Ca 0.10 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2aj3 n ILE 48 Cb 0.43 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 2aj3 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2aj3 n GLY 49 N 2.10 0.30 3.33 7.39 0.00 -1.23 -2.22 105.19 114.85 2aj3 n GLY 49 Ca -0.40 -1.30 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 2.85 -0.13 1.61 0.01 -0.96 -2.01 114.94 116.31 2aj3 s ASN 50 Ca 0.00 -0.71 0.01 0.00 -0.71 0.00 0.00 52.86 51.45 2aj3 s ASN 50 Cb 0.00 -0.17 -0.00 0.00 0.41 0.00 0.00 41.25 41.49 2aj3 s ASN 50 CO 0.00 0.11 -0.18 0.54 -1.51 0.00 0.00 177.10 176.06 2aj3 s VAL 51 N -1.12 2.55 0.31 1.60 0.11 0.04 -4.60 120.40 119.28 2aj3 s VAL 51 Ca 0.09 -0.83 0.11 0.00 -2.93 0.00 0.00 61.98 58.43 2aj3 s VAL 51 Cb -0.10 -2.05 -0.06 0.00 -1.53 0.00 0.00 36.38 32.65 2aj3 s VAL 51 CO 0.05 0.53 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.90 2aj3 s TYR 52 N 0.58 2.37 0.20 1.54 2.02 -1.26 -2.06 117.35 120.74 2aj3 s TYR 52 Ca -0.10 -0.40 0.24 0.00 -0.37 0.00 0.00 57.07 56.44 2aj3 s TYR 52 Cb -0.16 -1.19 1.03 0.00 -0.40 0.00 0.00 41.96 41.24 2aj3 s TYR 52 CO 0.03 0.65 1.87 0.38 -1.57 0.00 0.00 175.55 176.92 2aj3 h ASP 53 N 2.13 0.00 -2.98 2.29 2.03 -1.84 -3.44 116.42 114.59 2aj3 h ASP 53 Ca -0.41 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 56.04 2aj3 h ASP 53 Cb 1.26 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.47 2aj3 h ASP 53 CO 0.65 0.21 0.73 -0.55 -1.03 0.00 0.00 179.24 179.25 2aj3 s SER 54 N -6.19 -0.21 0.00 4.15 0.15 -1.26 -5.06 113.70 105.28 2aj3 s SER 54 Ca -0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2aj3 s SER 54 Cb 0.11 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2aj3 s SER 54 CO 0.63 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2aj3 n GLY 55 N 1.35 0.24 3.90 9.45 0.00 -1.26 -5.13 105.19 113.74 2aj3 n GLY 55 Ca -0.09 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2aj3 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aj3 s ASP 56 N -4.00 4.48 -0.39 1.61 1.01 -1.26 -5.03 116.67 113.10 2aj3 s ASP 56 Ca 0.00 0.79 -0.12 0.00 0.71 0.00 0.00 52.55 53.93 2aj3 s ASP 56 Cb 0.00 -1.28 0.03 0.00 1.01 0.00 0.00 42.92 42.68 2aj3 s ASP 56 CO 0.00 -1.92 0.23 -0.89 0.21 0.00 0.00 175.17 172.80 2aj3 s THR 57 N -3.57 4.70 -0.57 -1.27 2.01 -1.26 -4.89 115.64 110.79 2aj3 s THR 57 Ca 0.62 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2aj3 s THR 57 Cb -0.11 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.90 2aj3 s THR 57 CO 0.49 -0.27 0.36 0.20 -0.69 0.00 0.00 174.62 174.71 2aj3 s ASN 58 N 1.61 5.06 0.19 3.53 0.01 -1.26 -5.07 114.94 119.02 2aj3 s ASN 58 Ca 0.03 -2.75 0.11 0.00 -0.71 0.00 0.00 52.86 49.53 2aj3 s ASN 58 Cb -0.19 -1.81 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 2aj3 s ASN 58 CO 0.07 -0.37 -0.20 -0.31 -1.51 0.00 0.00 177.10 174.78 2aj3 s TYR 59 N 0.09 2.40 0.14 2.20 2.02 -1.26 -2.27 117.35 120.66 2aj3 s TYR 59 Ca 0.16 -0.32 -0.31 0.00 -0.37 0.00 0.00 57.07 56.22 2aj3 s TYR 59 Cb -0.21 -1.18 -0.09 0.00 -0.40 0.00 0.00 41.96 40.08 2aj3 s TYR 59 CO -0.03 0.51 1.46 1.21 -1.57 0.00 0.00 175.55 177.13 2aj3 s ASN 60 N -2.73 6.72 0.45 2.29 3.84 -0.94 -4.78 114.94 119.79 2aj3 s ASN 60 Ca 0.22 2.46 0.20 0.00 0.21 0.00 0.00 52.86 55.95 2aj3 s ASN 60 Cb -0.08 -2.59 1.17 0.00 -0.55 0.00 0.00 41.25 39.19 2aj3 s ASN 60 CO 0.11 -0.72 1.88 -0.65 -2.79 0.00 0.00 177.10 174.94 2aj3 h PRO 61 N 6.73 0.30 0.00 0.43 0.11 -1.95 0.13 132.00 137.75 2aj3 h PRO 61 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2aj3 h PRO 61 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2aj3 h PRO 61 CO 0.88 0.20 0.11 0.66 -0.21 0.00 0.00 178.00 179.64 2aj3 h SER 62 N 0.31 0.00 0.00 -2.05 4.64 -1.97 -3.24 113.55 111.24 2aj3 h SER 62 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2aj3 h SER 62 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2aj3 h SER 62 CO -0.13 0.00 -0.30 0.18 -0.87 0.00 0.00 176.83 175.72 2aj3 n LEU 63 N -2.61 0.00 -0.30 5.97 4.77 0.19 -4.91 117.00 120.11 2aj3 n LEU 63 Ca -0.02 -0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 2aj3 n LEU 63 Cb 0.15 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.35 2aj3 n LEU 63 CO 0.13 0.00 0.55 -1.54 -1.33 0.00 0.00 177.39 175.20 2aj3 n SER 64 N -0.45 -0.31 0.30 -1.43 3.41 0.21 0.58 113.62 115.93 2aj3 n SER 64 Ca 0.00 1.43 0.17 0.00 -0.26 0.00 0.00 58.87 60.21 2aj3 n SER 64 Cb 0.00 -0.43 0.88 0.00 -0.26 0.00 0.00 64.21 64.40 2aj3 n SER 64 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aj3 h SER 65 N 0.00 0.00 0.00 4.04 4.64 -1.87 -1.68 113.55 118.69 2aj3 h SER 65 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2aj3 h SER 65 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2aj3 h SER 65 CO -0.85 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.65 2aj3 n ARG 66 N -3.09 0.36 -2.67 4.77 1.74 0.20 -5.08 116.66 112.89 2aj3 n ARG 66 Ca -0.01 -0.34 -0.27 0.00 -0.77 0.00 0.00 57.85 56.47 2aj3 n ARG 66 Cb 0.35 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.30 3.62 -0.30 0.55 2.96 0.09 -4.27 118.68 121.03 2aj3 s LEU 67 Ca 0.00 0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 2aj3 s LEU 67 Cb 0.00 -3.80 0.18 0.00 0.50 0.00 0.00 46.19 43.08 2aj3 s LEU 67 CO 0.00 -0.61 0.85 -0.55 -1.32 0.00 0.00 176.35 174.73 2aj3 s SER 68 N -4.12 -0.88 0.02 3.68 0.15 -0.61 -4.94 113.70 107.00 2aj3 s SER 68 Ca 0.47 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.67 2aj3 s SER 68 Cb -0.10 1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 65.89 2aj3 s SER 68 CO 0.44 -0.16 -0.13 -0.76 1.20 0.00 0.00 173.24 173.83 2aj3 s LEU 69 N 2.91 2.86 0.21 3.45 1.43 -1.26 -0.70 118.68 127.58 2aj3 s LEU 69 Ca 0.10 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 2aj3 s LEU 69 Cb -0.12 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2aj3 s LEU 69 CO -0.16 0.27 0.44 -0.94 0.23 0.00 0.00 176.35 176.18 2aj3 s SER 70 N -1.40 -0.09 0.00 2.29 1.04 -1.07 -4.98 113.70 109.49 2aj3 s SER 70 Ca 0.16 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.83 2aj3 s SER 70 Cb -0.11 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2aj3 s SER 70 CO 0.06 -1.06 -0.20 -0.32 0.98 0.00 0.00 173.24 172.71 2aj3 s MET 71 N -3.97 1.53 -0.43 4.02 1.75 -1.26 0.48 119.30 121.41 2aj3 s MET 71 Ca 0.18 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 2aj3 s MET 71 Cb 0.00 -1.52 0.13 0.00 2.84 0.00 0.00 34.83 36.28 2aj3 s MET 71 CO 0.04 0.41 0.22 0.34 -0.65 0.00 0.00 175.02 175.38 2aj3 s ASP 72 N -0.67 3.78 0.50 1.11 -1.08 0.65 -4.97 116.67 115.98 2aj3 s ASP 72 Ca 0.07 -2.56 0.19 0.00 -0.52 0.00 0.00 52.55 49.74 2aj3 s ASP 72 Cb -0.08 -1.09 1.26 0.00 -1.46 0.00 0.00 42.92 41.55 2aj3 s ASP 72 CO -0.00 -0.28 2.08 0.74 0.52 0.00 0.00 175.17 178.23 2aj3 h THR 73 N 5.42 0.92 0.15 1.71 2.02 -1.95 0.14 112.91 121.33 2aj3 h THR 73 Ca -0.03 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.78 2aj3 h THR 73 Cb 0.94 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 2aj3 h THR 73 CO 0.50 0.11 -0.44 -1.28 0.37 0.00 0.00 175.52 174.77 2aj3 h SER 74 N 0.00 -1.31 -0.21 4.18 0.87 -1.93 -1.78 113.55 113.36 2aj3 h SER 74 Ca -0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2aj3 h SER 74 Cb 0.21 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2aj3 h SER 74 CO 0.01 -0.52 0.00 0.29 -0.53 0.00 0.00 176.83 176.09 2aj3 n LYS 75 N -5.48 1.75 -3.74 2.24 4.76 -1.03 -4.96 118.16 111.70 2aj3 n LYS 75 Ca -0.08 -1.14 -0.30 0.00 -2.87 0.00 0.00 58.31 53.92 2aj3 n LYS 75 Cb 0.39 -1.37 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 2aj3 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2aj3 n ASN 76 N 0.37 -5.18 -3.43 4.39 5.15 0.42 -4.85 115.26 112.13 2aj3 n ASN 76 Ca 0.15 -0.97 -0.08 0.00 -0.60 0.00 0.00 54.58 53.08 2aj3 n ASN 76 Cb 0.32 -2.69 -0.00 0.00 -0.53 0.00 0.00 39.78 36.88 2aj3 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aj3 s GLN 77 N -5.73 1.99 0.16 1.20 -2.07 -0.69 -2.55 119.66 111.97 2aj3 s GLN 77 Ca 0.30 -1.20 0.03 0.00 -1.82 0.00 0.00 55.36 52.67 2aj3 s GLN 77 Cb -0.13 0.61 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 2aj3 s GLN 77 CO 0.89 -0.92 -0.06 -0.59 -1.32 0.00 0.00 175.29 173.29 2aj3 s PHE 78 N -3.18 1.26 0.34 9.60 -0.12 -0.83 -0.25 117.98 124.79 2aj3 s PHE 78 Ca 0.13 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.18 2aj3 s PHE 78 Cb -0.05 -0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 41.60 2aj3 s PHE 78 CO 0.09 -0.03 0.09 -1.12 -0.05 0.00 0.00 175.22 174.20 2aj3 s SER 79 N -3.18 2.23 -0.06 1.98 0.01 0.18 -1.55 113.70 113.31 2aj3 s SER 79 Ca 0.20 -1.48 -0.04 0.00 1.31 0.00 0.00 55.95 55.93 2aj3 s SER 79 Cb 0.04 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2aj3 s SER 79 CO 0.02 -0.75 0.14 -0.22 0.41 0.00 0.00 173.24 172.84 2aj3 s LEU 80 N -3.49 1.24 -0.05 2.44 0.20 -0.18 -2.59 118.68 116.25 2aj3 s LEU 80 Ca 0.33 0.28 -0.02 0.00 0.69 0.00 0.00 54.13 55.41 2aj3 s LEU 80 Cb 0.06 0.43 0.03 0.00 -0.43 0.00 0.00 46.19 46.29 2aj3 s LEU 80 CO 0.15 -0.08 0.05 -0.13 -0.29 0.00 0.00 176.35 176.05 2aj3 s ARG 81 N 0.42 0.03 0.38 1.98 0.52 0.12 -1.42 118.95 120.98 2aj3 s ARG 81 Ca -0.03 0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.58 2aj3 s ARG 81 Cb -0.04 -0.66 -0.07 0.00 0.52 0.00 0.00 34.95 34.70 2aj3 s ARG 81 CO -0.02 -0.35 -0.01 -1.17 0.02 0.00 0.00 175.30 173.77 2aj3 s LEU 82 N 2.14 2.86 0.00 2.53 0.20 -0.18 -1.58 118.68 124.66 2aj3 s LEU 82 Ca 0.05 -1.22 0.00 0.00 0.69 0.00 0.00 54.13 53.65 2aj3 s LEU 82 Cb -0.12 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.58 2aj3 s LEU 82 CO -0.04 -0.34 0.00 -1.20 -0.29 0.00 0.00 176.35 174.49 2aj3 n SER 82 N -0.93 0.00 -4.74 3.68 7.64 -1.24 0.08 113.62 118.11 2aj3 n SER 82 Ca -0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.50 2aj3 n SER 82 Cb 0.65 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.93 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 -1.42 2.64 0.27 0.44 -7.23 -1.15 -4.64 120.40 109.32 2aj3 s VAL 82 Ca 0.00 0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.49 2aj3 s VAL 82 Cb 0.00 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2aj3 s VAL 82 CO 0.00 -0.18 0.14 0.42 -0.31 0.00 0.00 175.10 175.17 2aj3 s THR 83 N -2.17 0.31 0.47 5.32 -4.23 -1.26 -1.64 115.64 112.44 2aj3 s THR 83 Ca 0.71 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.45 2aj3 s THR 83 Cb -0.25 -2.54 0.41 0.00 1.34 0.00 0.00 72.50 71.46 2aj3 s THR 83 CO 0.45 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.42 2aj3 h ALA 84 N 2.33 2.44 0.00 3.99 0.00 -1.98 0.35 119.26 126.40 2aj3 h ALA 84 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2aj3 h ALA 84 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2aj3 h ALA 84 CO 0.54 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2aj3 n ALA 85 N -2.60 1.63 1.08 0.00 0.00 -1.26 -0.75 120.51 118.62 2aj3 n ALA 85 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2aj3 n ALA 85 Cb 0.74 -1.12 0.11 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.17 1.73 -4.72 0.00 8.00 0.12 -4.92 116.55 115.59 2aj3 n ASP 86 Ca 0.04 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 2aj3 n ASP 86 Cb 0.05 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.48 2.38 -1.74 -3.53 2.01 0.08 -4.88 115.64 107.47 2aj3 s THR 87 Ca 0.20 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2aj3 s THR 87 Cb 0.18 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2aj3 s THR 87 CO 0.56 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 2aj3 n ALA 88 N 3.79 0.00 -2.72 7.40 0.00 -0.01 -4.35 120.51 124.63 2aj3 n ALA 88 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2aj3 n ALA 88 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 2aj3 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aj3 s THR 89 N -2.16 5.32 -0.19 0.00 2.01 -0.43 -0.42 115.64 119.77 2aj3 s THR 89 Ca 0.00 0.48 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 2aj3 s THR 89 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2aj3 s THR 89 CO 0.00 0.38 0.02 -0.31 -0.69 0.00 0.00 174.62 174.02 2aj3 s TYR 90 N 0.58 3.10 0.12 4.92 1.51 0.53 -0.88 117.35 127.25 2aj3 s TYR 90 Ca 0.15 -0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.05 2aj3 s TYR 90 Cb -0.13 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2aj3 s TYR 90 CO 0.03 -0.08 -0.17 0.71 -1.11 0.00 0.00 175.55 174.94 2aj3 s TYR 91 N 0.71 2.55 -0.02 2.71 2.02 0.33 -0.30 117.35 125.34 2aj3 s TYR 91 Ca 0.01 -0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 2aj3 s TYR 91 Cb -0.14 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2aj3 s TYR 91 CO 0.02 0.40 -0.23 0.00 -1.57 0.00 0.00 175.55 174.17 2aj3 s ALA 93 N -0.54 -0.06 -0.12 0.00 0.00 -0.16 -1.65 121.76 119.23 2aj3 s ALA 93 Ca 0.09 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2aj3 s ALA 93 Cb -0.09 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 2aj3 s ALA 93 CO -0.01 -0.83 0.61 0.50 0.00 0.00 0.00 175.76 176.03 2aj3 s ARG 94 N -3.90 4.34 -0.89 0.00 3.52 -0.45 -0.60 118.95 120.97 2aj3 s ARG 94 Ca 0.24 0.68 -0.21 0.00 -0.13 0.00 0.00 55.73 56.31 2aj3 s ARG 94 Cb -0.00 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 30.00 2aj3 s ARG 94 CO 0.10 0.00 1.18 -0.47 -0.81 0.00 0.00 175.30 175.30 2aj3 s TYR 95 N 1.08 2.85 -0.65 5.12 5.04 -0.36 -2.57 117.35 127.85 2aj3 s TYR 95 Ca 0.31 -1.03 -0.27 0.00 -2.44 0.00 0.00 57.07 53.64 2aj3 s TYR 95 Cb -0.16 -4.40 0.02 0.00 0.35 0.00 0.00 41.96 37.76 2aj3 s TYR 95 CO 0.13 -1.66 1.42 -1.58 -1.34 0.00 0.00 175.55 172.53 2aj3 s HIS 96 N 3.65 2.19 -0.18 4.97 5.65 0.19 -4.26 115.29 127.49 2aj3 s HIS 96 Ca 0.34 0.29 -0.00 0.00 0.25 0.00 0.00 55.06 55.93 2aj3 s HIS 96 Cb -0.06 -4.45 0.05 0.00 -1.18 0.00 0.00 32.58 26.93 2aj3 s HIS 96 CO -0.05 -2.06 -0.04 0.50 -0.65 0.00 0.00 174.74 172.44 2aj3 s ARG 97 N 5.86 1.39 0.15 2.88 3.52 -1.26 0.31 118.95 131.79 2aj3 s ARG 97 Ca 0.46 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 2aj3 s ARG 97 Cb -0.10 -2.16 -0.07 0.00 -1.56 0.00 0.00 34.95 31.07 2aj3 s ARG 97 CO 0.20 -0.49 1.06 -1.58 -0.81 0.00 0.00 175.30 173.67 2aj3 s HIS 98 N 1.60 3.66 -0.27 5.12 5.65 0.22 -4.86 115.29 126.42 2aj3 s HIS 98 Ca -0.01 1.65 0.18 0.00 0.25 0.00 0.00 55.06 57.14 2aj3 s HIS 98 Cb -0.16 -3.21 0.99 0.00 -1.18 0.00 0.00 32.58 29.02 2aj3 s HIS 98 CO -0.07 -0.36 1.55 1.97 -0.65 0.00 0.00 174.74 177.17 2aj3 n PHE 99 N 2.58 0.62 -0.03 3.88 -1.74 -1.26 0.08 117.46 121.59 2aj3 n PHE 99 Ca 0.03 0.32 -0.07 0.00 -0.56 0.00 0.00 57.45 57.17 2aj3 n PHE 99 Cb 0.47 -1.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.45 2aj3 n PHE 99 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 2aj3 n ILE 100 N -2.15 0.61 0.31 1.97 5.41 -1.26 -4.75 119.36 119.50 2aj3 n ILE 100 Ca -0.01 -0.01 0.14 0.00 1.00 0.00 0.00 62.75 63.87 2aj3 n ILE 100 Cb 0.06 -1.64 0.40 0.00 -0.71 0.00 0.00 39.64 37.74 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 -0.27 0.00 0.00 0.38 3.08 -1.96 -3.50 114.38 112.11 2aj3 h ARG 100 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2aj3 h ARG 100 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2aj3 h ARG 100 CO -0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 2aj3 n GLY 100 N 0.68 -1.82 3.72 0.04 0.00 0.11 -4.89 105.19 103.04 2aj3 n GLY 100 Ca 0.03 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2aj3 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aj3 s PRO 100 N 0.00 4.29 -0.16 1.61 0.04 -1.26 0.70 135.00 140.22 2aj3 s PRO 100 Ca 0.00 2.18 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2aj3 s PRO 100 Cb 0.00 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 2aj3 s PRO 100 CO 0.00 -0.47 -0.21 1.28 0.04 0.00 0.00 177.00 177.64 2aj3 n LEU 100 N 3.68 1.18 0.00 -3.56 7.99 0.15 -4.90 117.00 121.54 2aj3 n LEU 100 Ca 0.11 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 2aj3 n LEU 100 Cb 0.41 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 2aj3 n LEU 100 CO 0.60 0.31 0.00 -1.54 -1.51 0.00 0.00 177.39 175.25 2aj3 n SER 100 N -3.75 0.00 -4.20 -1.43 3.41 -0.86 -5.03 113.62 101.76 2aj3 n SER 100 Ca -0.32 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 2aj3 n SER 100 Cb 0.71 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.73 3.49 -0.13 7.33 0.40 -1.26 0.53 117.98 125.62 2aj3 s PHE 100 Ca 0.00 -2.17 -0.09 0.00 -0.60 0.00 0.00 56.93 54.08 2aj3 s PHE 100 Cb 0.00 -3.46 -0.07 0.00 0.51 0.00 0.00 43.02 40.00 2aj3 s PHE 100 CO 0.00 -0.95 0.10 0.38 0.70 0.00 0.00 175.22 175.45 2aj3 h ASP 101 N 7.90 0.00 -3.29 1.36 2.03 -1.88 -3.45 116.42 119.08 2aj3 h ASP 101 Ca -0.09 -0.20 -0.58 0.00 -0.73 0.00 0.00 57.03 55.42 2aj3 h ASP 101 Cb 1.03 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.44 2aj3 h ASP 101 CO 0.79 0.73 -0.24 -0.31 -1.03 0.00 0.00 179.24 179.19 2aj3 s TYR 102 N -1.91 3.50 0.12 4.15 2.02 -1.26 -4.95 117.35 119.02 2aj3 s TYR 102 Ca -0.09 0.75 0.08 0.00 -0.37 0.00 0.00 57.07 57.44 2aj3 s TYR 102 Cb 0.01 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 2aj3 s TYR 102 CO 0.22 0.23 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.64 2aj3 s TRP 103 N 0.46 1.83 0.52 2.71 0.52 -1.26 -1.34 118.94 122.38 2aj3 s TRP 103 Ca 0.21 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 55.90 2aj3 s TRP 103 Cb -0.14 -0.99 0.01 0.00 -1.15 0.00 0.00 33.47 31.21 2aj3 s TRP 103 CO 0.07 0.24 0.76 0.20 0.02 0.00 0.00 176.95 178.24 2aj3 s GLY 104 N -2.05 1.65 0.00 0.98 0.00 -0.66 -4.82 107.32 102.42 2aj3 s GLY 104 Ca 0.09 -1.06 0.10 0.00 0.00 0.00 0.00 44.72 43.85 2aj3 s GLY 104 CO 0.05 -0.83 1.31 0.54 0.00 0.00 0.00 173.10 174.18 2aj3 n ARG 105 N -2.28 0.00 0.00 2.90 1.74 -1.26 -4.72 116.66 113.03 2aj3 n ARG 105 Ca 0.04 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2aj3 n ARG 105 Cb 0.58 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.47 -1.62 3.11 -0.13 0.00 -1.26 -5.01 105.19 99.81 2aj3 n GLY 106 Ca 0.02 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 2aj3 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aj3 s THR 107 N -3.13 1.50 0.08 2.61 -1.32 0.59 -4.90 115.64 111.07 2aj3 s THR 107 Ca 0.00 -0.71 -0.29 0.00 -1.21 0.00 0.00 61.69 59.48 2aj3 s THR 107 Cb 0.00 -1.32 -0.05 0.00 -1.51 0.00 0.00 72.50 69.61 2aj3 s THR 107 CO 0.00 0.44 0.94 -0.22 -2.21 0.00 0.00 174.62 173.57 2aj3 s LEU 108 N 0.43 4.46 -0.08 9.08 0.20 -1.26 -0.34 118.68 131.17 2aj3 s LEU 108 Ca -0.14 1.72 0.01 0.00 0.69 0.00 0.00 54.13 56.41 2aj3 s LEU 108 Cb -0.16 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.08 2aj3 s LEU 108 CO 0.05 -0.10 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.24 2aj3 s VAL 109 N 0.21 0.92 -0.10 1.68 1.01 0.44 -4.22 120.40 120.34 2aj3 s VAL 109 Ca 0.47 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2aj3 s VAL 109 Cb -0.22 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2aj3 s VAL 109 CO 0.29 0.33 -0.23 -0.89 0.00 0.00 0.00 175.10 174.60 2aj3 s THR 110 N 1.23 2.18 -0.42 3.92 2.01 -0.41 -0.83 115.64 123.32 2aj3 s THR 110 Ca -0.05 -0.98 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 2aj3 s THR 110 Cb -0.14 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.58 2aj3 s THR 110 CO -0.02 0.56 0.31 -0.69 -0.69 0.00 0.00 174.62 174.08 2aj3 s VAL 111 N 0.30 5.02 0.12 3.82 1.01 -1.24 -0.53 120.40 128.91 2aj3 s VAL 111 Ca -0.17 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 2aj3 s VAL 111 Cb -0.17 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2aj3 s VAL 111 CO 0.08 -0.40 0.31 -0.55 0.00 0.00 0.00 175.10 174.54 2aj3 s SER 112 N 1.98 -0.05 0.01 3.32 0.15 -0.35 -4.27 113.70 114.49 2aj3 s SER 112 Ca 0.04 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.35 2aj3 s SER 112 Cb -0.21 0.42 -0.14 0.00 -1.71 0.00 0.00 66.02 64.39 2aj3 s SER 112 CO 0.08 -0.83 0.87 -1.20 1.20 0.00 0.00 173.24 173.35 2aj3 n SER 113 N -0.17 0.63 -4.66 5.45 7.64 -1.26 -3.88 113.62 117.37 2aj3 n SER 113 Ca -0.14 -0.49 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 2aj3 n SER 113 Cb 0.63 1.13 0.02 0.00 -1.01 0.00 0.00 64.21 64.98 2aj3 n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aj3 n ALA 114 N -1.78 0.73 -1.93 -0.43 0.00 -1.26 -5.00 120.51 110.84 2aj3 n ALA 114 Ca 0.02 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 2aj3 n ALA 114 Cb 0.42 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.71 7.19 0.12 0.00 0.01 -1.26 -4.98 113.70 114.07 2aj3 s SER 115 Ca 0.64 1.64 -0.33 0.00 1.31 0.00 0.00 55.95 59.20 2aj3 s SER 115 Cb -0.52 -2.50 -0.13 0.00 0.21 0.00 0.00 66.02 63.08 2aj3 s SER 115 CO 0.56 -0.03 1.69 0.41 0.41 0.00 0.00 173.24 176.28 2aj3 n THR 116 N 0.59 0.16 -3.77 1.44 -1.04 -1.26 -4.65 114.28 105.74 2aj3 n THR 116 Ca 0.00 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.85 2aj3 n THR 116 Cb 0.51 -1.74 -0.14 0.00 -1.82 0.00 0.00 70.33 67.13 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 1.76 0.10 0.92 -2.82 2.20 0.72 -4.93 119.74 117.69 2aj3 s LYS 117 Ca 0.81 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.62 2aj3 s LYS 117 Cb -0.63 -0.12 0.14 0.00 -1.51 0.00 0.00 37.83 35.71 2aj3 s LYS 117 CO 0.39 -0.13 1.12 0.20 -0.36 0.00 0.00 175.35 176.57 2aj3 s GLY 118 N 0.90 1.58 0.12 5.54 0.00 -1.26 -0.81 107.32 113.39 2aj3 s GLY 118 Ca -0.07 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2aj3 s GLY 118 CO -0.04 0.13 0.27 2.56 0.00 0.00 0.00 173.10 176.01 2aj3 s PRO 119 N -5.17 3.46 -0.08 2.90 0.04 -1.26 -4.34 135.00 130.55 2aj3 s PRO 119 Ca 0.64 -0.47 -0.19 0.00 0.04 0.00 0.00 61.00 61.02 2aj3 s PRO 119 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2aj3 s PRO 119 CO 0.55 0.54 0.51 -1.12 0.04 0.00 0.00 177.00 177.52 2aj3 s SER 120 N -2.87 6.77 -0.32 6.66 0.01 -0.49 -4.89 113.70 118.56 2aj3 s SER 120 Ca 0.36 0.92 -0.07 0.00 1.31 0.00 0.00 55.95 58.46 2aj3 s SER 120 Cb -0.12 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2aj3 s SER 120 CO 0.28 0.04 0.11 -0.69 0.41 0.00 0.00 173.24 173.39 2aj3 s VAL 121 N 0.34 4.01 0.06 3.43 1.01 -1.26 -1.11 120.40 126.88 2aj3 s VAL 121 Ca 0.28 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2aj3 s VAL 121 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2aj3 s VAL 121 CO 0.12 -0.05 0.13 -0.36 0.00 0.00 0.00 175.10 174.95 2aj3 s PHE 122 N 1.48 3.35 0.29 5.22 0.08 -0.14 -4.92 117.98 123.34 2aj3 s PHE 122 Ca 0.01 0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.96 2aj3 s PHE 122 Cb -0.18 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.47 2aj3 s PHE 122 CO 0.03 0.56 1.00 -2.14 -0.10 0.00 0.00 175.22 174.57 2aj3 s PRO 123 N -2.32 4.63 -0.84 0.24 0.02 -1.26 -0.13 135.00 135.33 2aj3 s PRO 123 Ca 0.30 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2aj3 s PRO 123 Cb -0.12 -3.03 0.21 0.00 0.02 0.00 0.00 34.50 31.58 2aj3 s PRO 123 CO 0.23 0.29 0.74 1.28 -0.33 0.00 0.00 177.00 179.21 2aj3 n LEU 124 N 0.95 3.98 -4.75 -5.54 4.77 0.35 -4.80 117.00 111.96 2aj3 n LEU 124 Ca 0.00 -5.18 -0.41 0.00 -0.03 0.00 0.00 56.01 50.39 2aj3 n LEU 124 Cb 0.48 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2aj3 n LEU 124 CO 0.49 1.65 1.16 0.00 -1.33 0.00 0.00 177.39 179.36 2aj3 s ALA 125 N -1.55 3.67 0.50 -1.18 0.00 -1.26 -1.68 121.76 120.25 2aj3 s ALA 125 Ca 0.28 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 2aj3 s ALA 125 Cb -0.04 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 2aj3 s ALA 125 CO -0.12 -0.84 1.14 -1.25 0.00 0.00 0.00 175.76 174.68 2aj3 s PRO 126 N -0.52 3.59 0.21 0.00 0.04 -1.26 -4.93 135.00 132.13 2aj3 s PRO 126 Ca 0.60 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 2aj3 s PRO 126 Cb -0.44 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 31.97 2aj3 s PRO 126 CO 0.46 -0.66 1.01 -1.54 0.04 0.00 0.00 177.00 176.31 2aj3 s SER 127 N -1.60 0.00 0.66 6.66 1.04 -1.26 -4.34 113.70 114.87 2aj3 s SER 127 Ca 0.68 -0.72 0.30 0.00 0.48 0.00 0.00 55.95 56.68 2aj3 s SER 127 Cb -0.25 0.54 1.64 0.00 0.10 0.00 0.00 66.02 68.04 2aj3 s SER 127 CO 0.30 -1.07 1.92 0.77 0.98 0.00 0.00 173.24 176.14 2aj3 h SER 128 N 2.00 0.00 -0.01 7.02 4.64 -1.95 0.31 113.55 125.56 2aj3 h SER 128 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2aj3 h SER 128 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2aj3 h SER 128 CO 0.36 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.61 2aj3 n LYS 129 N -2.88 1.65 -0.13 4.77 4.76 -1.26 -3.82 118.16 121.24 2aj3 n LYS 129 Ca -0.02 -0.95 0.01 0.00 -2.87 0.00 0.00 58.31 54.48 2aj3 n LYS 129 Cb 0.37 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.16 0.76 -4.11 4.39 3.41 0.11 -5.04 113.62 113.30 2aj3 n SER 130 Ca 0.19 -1.75 -0.27 0.00 -0.26 0.00 0.00 58.87 56.78 2aj3 n SER 130 Cb 0.35 -0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 2aj3 n SER 130 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2aj3 s THR 131 N -0.61 1.45 -0.05 6.66 -1.32 -0.94 0.44 115.64 121.27 2aj3 s THR 131 Ca 0.04 -0.69 -0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2aj3 s THR 131 Cb 0.04 -1.28 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 2aj3 s THR 131 CO 0.00 0.42 0.01 -0.55 -2.21 0.00 0.00 174.62 172.29 2aj3 s SER 132 N 0.37 1.05 0.61 8.08 0.15 -0.43 -4.88 113.70 118.64 2aj3 s SER 132 Ca -0.12 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2aj3 s SER 132 Cb -0.15 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2aj3 s SER 132 CO 0.04 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2aj3 n GLY 133 N 4.72 1.02 1.41 9.45 0.00 -1.26 -2.85 105.19 117.67 2aj3 n GLY 133 Ca -0.15 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 2.56 3.47 -0.02 0.00 -1.26 -4.92 105.19 105.02 2aj3 n GLY 134 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2aj3 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aj3 s THR 135 N -1.18 2.92 0.15 2.61 -4.23 -1.13 0.31 115.64 115.10 2aj3 s THR 135 Ca 0.50 -1.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.08 2aj3 s THR 135 Cb 0.27 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2aj3 s THR 135 CO 0.32 0.43 -0.15 -0.44 -0.54 0.00 0.00 174.62 174.24 2aj3 s SER 136 N -1.18 2.26 -0.03 3.99 0.01 -0.31 -1.32 113.70 117.12 2aj3 s SER 136 Ca 0.14 -0.88 0.05 0.00 1.31 0.00 0.00 55.95 56.56 2aj3 s SER 136 Cb -0.11 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 2aj3 s SER 136 CO 0.04 -0.14 -0.16 0.00 0.41 0.00 0.00 173.24 173.39 2aj3 s ALA 137 N -2.38 2.61 0.18 1.44 0.00 0.17 -1.04 121.76 122.74 2aj3 s ALA 137 Ca 0.14 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 2aj3 s ALA 137 Cb -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 2aj3 s ALA 137 CO 0.04 0.56 0.36 -0.48 0.00 0.00 0.00 175.76 176.25 2aj3 s LEU 138 N -0.89 0.68 0.00 0.00 0.05 -0.30 -4.01 118.68 114.22 2aj3 s LEU 138 Ca 0.12 -0.80 0.00 0.00 0.05 0.00 0.00 54.13 53.50 2aj3 s LEU 138 Cb -0.11 1.47 0.00 0.00 -2.05 0.00 0.00 46.19 45.51 2aj3 s LEU 138 CO 0.02 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.46 2aj3 n GLY 139 N -0.27 -0.90 3.04 -3.48 0.00 -0.68 -0.72 105.19 102.18 2aj3 n GLY 139 Ca -0.07 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.19 5.08 -0.53 0.00 2.96 0.81 -1.29 118.68 125.52 2aj3 s LEU 141 Ca 0.03 -1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 52.69 2aj3 s LEU 141 Cb -0.05 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.61 2aj3 s LEU 141 CO -0.00 -0.47 0.65 -0.69 -1.32 0.00 0.00 176.35 174.52 2aj3 s VAL 142 N 1.61 4.85 0.07 1.68 1.01 -0.01 -0.97 120.40 128.64 2aj3 s VAL 142 Ca 0.04 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2aj3 s VAL 142 Cb -0.20 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2aj3 s VAL 142 CO 0.08 -0.91 -0.26 -0.75 0.00 0.00 0.00 175.10 173.26 2aj3 s LYS 143 N 2.65 1.73 -0.93 2.72 2.20 -0.26 -1.10 119.74 126.76 2aj3 s LYS 143 Ca 0.14 -1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 54.54 2aj3 s LYS 143 Cb -0.21 -1.98 -0.06 0.00 -1.51 0.00 0.00 37.83 34.07 2aj3 s LYS 143 CO 0.10 0.50 0.82 -0.25 -0.36 0.00 0.00 175.35 176.16 2aj3 n ASP 144 N 1.54 -6.25 -4.37 1.43 8.00 -0.64 -1.40 116.55 114.85 2aj3 n ASP 144 Ca -0.17 -0.60 -0.20 0.00 0.71 0.00 0.00 54.79 54.52 2aj3 n ASP 144 Cb 0.52 -4.75 -0.10 0.00 -0.02 0.00 0.00 41.12 36.77 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 -3.33 1.85 -0.14 1.24 -0.85 -0.66 -4.47 117.35 111.00 2aj3 s TYR 145 Ca 0.39 -0.51 -0.09 0.00 -0.52 0.00 0.00 57.07 56.34 2aj3 s TYR 145 Cb -0.05 -0.85 0.05 0.00 0.38 0.00 0.00 41.96 41.48 2aj3 s TYR 145 CO 0.67 0.43 0.34 0.12 -1.52 0.00 0.00 175.55 175.59 2aj3 s PHE 146 N -2.74 -0.46 0.00 -3.49 5.36 0.01 -0.31 117.98 116.36 2aj3 s PHE 146 Ca 0.23 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 2aj3 s PHE 146 Cb -0.02 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 2aj3 s PHE 146 CO 0.09 -0.26 0.00 -0.35 -1.46 0.00 0.00 175.22 173.23 2aj3 n PRO 147 N 3.83 1.62 -1.25 10.12 -0.04 -1.26 -0.20 135.00 147.82 2aj3 n PRO 147 Ca -0.21 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.90 2aj3 n PRO 147 Cb 0.55 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.10 2aj3 n PRO 147 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2aj3 n GLU 148 N -0.40 0.34 -4.46 0.54 -0.58 -1.26 -4.76 120.64 110.04 2aj3 n GLU 148 Ca 0.00 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.61 2aj3 n GLU 148 Cb 0.00 -2.11 -0.07 0.00 -0.57 0.00 0.00 31.44 28.69 2aj3 n GLU 148 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2aj3 s PRO 149 N -3.30 2.17 0.05 3.49 0.04 -1.26 -4.98 135.00 131.21 2aj3 s PRO 149 Ca 0.70 -2.19 0.04 0.00 0.04 0.00 0.00 61.00 59.59 2aj3 s PRO 149 Cb -0.33 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2aj3 s PRO 149 CO 0.54 -0.32 -0.12 0.14 0.04 0.00 0.00 177.00 177.28 2aj3 s VAL 150 N -2.78 0.92 -0.09 -0.36 -7.23 -1.26 -4.51 120.40 105.08 2aj3 s VAL 150 Ca 0.22 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2aj3 s VAL 150 Cb 0.03 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 2aj3 s VAL 150 CO 0.12 -0.17 -0.07 0.42 -0.31 0.00 0.00 175.10 175.09 2aj3 s THR 151 N -1.08 3.65 -0.12 5.32 -4.23 -0.21 -4.95 115.64 114.02 2aj3 s THR 151 Ca -0.03 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2aj3 s THR 151 Cb -0.09 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2aj3 s THR 151 CO 0.01 0.57 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.88 2aj3 s VAL 152 N -0.50 1.16 0.15 2.29 1.01 -1.26 -1.42 120.40 121.85 2aj3 s VAL 152 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2aj3 s VAL 152 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2aj3 s VAL 152 CO 0.02 0.39 -0.17 -0.94 0.00 0.00 0.00 175.10 174.40 2aj3 s SER 153 N 1.56 2.46 -0.12 3.32 1.04 -0.49 -4.95 113.70 116.51 2aj3 s SER 153 Ca 0.03 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2aj3 s SER 153 Cb -0.13 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 2aj3 s SER 153 CO -0.08 -0.08 -0.07 0.26 0.98 0.00 0.00 173.24 174.26 2aj3 s TRP 154 N -2.11 2.95 -1.32 5.02 0.52 -1.26 0.62 118.94 123.36 2aj3 s TRP 154 Ca 0.14 -0.26 -0.07 0.00 0.02 0.00 0.00 56.10 55.93 2aj3 s TRP 154 Cb -0.05 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 2aj3 s TRP 154 CO 0.05 0.06 0.54 0.09 0.02 0.00 0.00 176.95 177.71 2aj3 n ASN 155 N 3.08 -1.78 -2.09 2.95 3.02 -0.29 -1.00 115.26 119.14 2aj3 n ASN 155 Ca -0.18 -1.01 -0.07 0.00 -0.03 0.00 0.00 54.58 53.30 2aj3 n ASN 155 Cb 0.53 -3.15 -0.01 0.00 -0.61 0.00 0.00 39.78 36.54 2aj3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aj3 n SER 156 N -2.88 -2.29 0.00 6.41 7.64 -1.26 -0.18 113.62 121.05 2aj3 n SER 156 Ca -0.25 0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2aj3 n SER 156 Cb 0.66 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 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 -0.50 1.41 0.21 0.23 0.00 -0.17 -4.94 105.19 101.43 2aj3 n GLY 157 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.53 -3.10 4.61 0.00 -0.55 -3.39 119.26 118.36 2aj3 h ALA 158 Ca 0.00 -0.25 -0.68 0.00 0.00 0.00 0.00 54.91 53.98 2aj3 h ALA 158 Cb 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.46 2aj3 h ALA 158 CO 0.00 0.35 -0.65 -1.17 0.00 0.00 0.00 179.25 177.78 2aj3 s LEU 159 N -8.43 3.76 0.00 0.00 0.20 -1.10 -4.87 118.68 108.24 2aj3 s LEU 159 Ca -0.03 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 53.98 2aj3 s LEU 159 Cb 0.15 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 2aj3 s LEU 159 CO 0.71 -0.19 0.00 0.35 -0.29 0.00 0.00 176.35 176.93 2aj3 n THR 160 N 4.81 0.00 -2.50 3.68 -2.24 -1.26 -4.01 114.28 112.76 2aj3 n THR 160 Ca -0.15 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2aj3 n THR 160 Cb 0.47 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.68 7.11 -0.63 3.42 0.15 -1.26 -3.16 113.70 118.64 2aj3 s SER 161 Ca 0.00 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.47 2aj3 s SER 161 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2aj3 s SER 161 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2aj3 n GLY 162 N 3.26 0.66 3.71 9.45 0.00 -1.26 -4.65 105.19 116.36 2aj3 n GLY 162 Ca 0.10 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.25 5.27 -0.27 1.61 1.01 -1.19 -2.62 120.40 121.95 2aj3 s VAL 163 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2aj3 s VAL 163 Cb 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.79 2aj3 s VAL 163 CO 0.00 0.34 0.02 -1.00 0.00 0.00 0.00 175.10 174.46 2aj3 s HIS 164 N 0.76 2.34 -0.43 5.22 3.76 0.22 -4.99 115.29 122.17 2aj3 s HIS 164 Ca 0.18 -1.92 -0.14 0.00 -0.15 0.00 0.00 55.06 53.03 2aj3 s HIS 164 Cb -0.14 -1.84 0.05 0.00 1.11 0.00 0.00 32.58 31.77 2aj3 s HIS 164 CO 0.06 -0.83 0.32 0.99 -0.85 0.00 0.00 174.74 174.43 2aj3 s THR 165 N 1.40 4.97 0.70 1.30 2.01 -1.26 -0.46 115.64 124.30 2aj3 s THR 165 Ca 0.03 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 2aj3 s THR 165 Cb -0.18 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2aj3 s THR 165 CO -0.12 -0.44 1.12 -0.36 -0.69 0.00 0.00 174.62 174.13 2aj3 s PHE 166 N 1.60 2.50 0.38 4.92 0.40 -0.08 -4.98 117.98 122.72 2aj3 s PHE 166 Ca 0.04 1.57 -0.27 0.00 -0.60 0.00 0.00 56.93 57.67 2aj3 s PHE 166 Cb -0.22 -3.18 -0.09 0.00 0.51 0.00 0.00 43.02 40.04 2aj3 s PHE 166 CO 0.07 -1.87 1.29 -2.14 0.70 0.00 0.00 175.22 173.27 2aj3 s PRO 167 N -4.27 4.10 1.08 0.24 0.02 -1.26 -4.47 135.00 130.43 2aj3 s PRO 167 Ca 0.67 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.70 2aj3 s PRO 167 Cb -0.21 -2.85 0.24 0.00 0.02 0.00 0.00 34.50 31.70 2aj3 s PRO 167 CO 0.46 -0.38 1.06 0.00 -0.33 0.00 0.00 177.00 177.81 2aj3 s ALA 168 N -1.24 0.25 -0.06 -1.55 0.00 -1.26 -4.81 121.76 113.10 2aj3 s ALA 168 Ca 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 2aj3 s ALA 168 Cb -0.38 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.57 2aj3 s ALA 168 CO 0.49 -3.34 0.13 0.08 0.00 0.00 0.00 175.76 173.12 2aj3 s VAL 169 N -2.70 -0.03 0.07 0.00 1.01 -0.71 -4.95 120.40 113.10 2aj3 s VAL 169 Ca 0.67 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 2aj3 s VAL 169 Cb -0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2aj3 s VAL 169 CO 0.61 0.04 0.96 -0.22 0.00 0.00 0.00 175.10 176.49 2aj3 s LEU 170 N 0.64 4.46 0.32 3.92 2.96 -1.26 -2.04 118.68 127.67 2aj3 s LEU 170 Ca -0.05 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.63 2aj3 s LEU 170 Cb -0.06 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2aj3 s LEU 170 CO -0.03 -0.12 0.48 -1.10 -1.32 0.00 0.00 176.35 174.25 2aj3 s GLN 171 N 0.32 3.33 0.47 1.98 -0.21 0.12 -4.98 119.66 120.69 2aj3 s GLN 171 Ca 0.48 -0.67 0.24 0.00 0.02 0.00 0.00 55.36 55.43 2aj3 s GLN 171 Cb -0.22 -2.77 1.26 0.00 1.00 0.00 0.00 33.01 32.28 2aj3 s GLN 171 CO 0.29 0.18 1.87 0.66 -2.12 0.00 0.00 175.29 176.17 2aj3 h SER 172 N 0.89 0.23 0.68 5.90 4.64 -1.97 0.35 113.55 124.27 2aj3 h SER 172 Ca -0.49 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aj3 h SER 172 Cb 1.24 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2aj3 h SER 172 CO 0.59 0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 2aj3 n SER 173 N -4.41 0.70 0.00 4.97 3.41 -1.26 -4.84 113.62 112.18 2aj3 n SER 173 Ca 0.19 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2aj3 n SER 173 Cb 0.81 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.11 0.81 3.72 5.00 0.00 0.12 -5.03 105.19 109.70 2aj3 n GLY 174 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 3.57 0.19 0.99 1.43 -1.25 -4.87 118.68 118.74 2aj3 s LEU 175 Ca 0.00 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2aj3 s LEU 175 Cb 0.00 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2aj3 s LEU 175 CO 0.00 0.15 0.40 -0.31 0.23 0.00 0.00 176.35 176.82 2aj3 s TYR 176 N -1.43 3.48 -0.13 0.29 2.02 0.58 -0.70 117.35 121.46 2aj3 s TYR 176 Ca 0.27 0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 57.28 2aj3 s TYR 176 Cb -0.11 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 2aj3 s TYR 176 CO 0.20 0.38 0.34 0.45 -1.57 0.00 0.00 175.55 175.35 2aj3 s SER 177 N -3.00 -0.37 0.25 2.29 0.15 -0.86 -1.63 113.70 110.53 2aj3 s SER 177 Ca 0.39 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 2aj3 s SER 177 Cb -0.11 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2aj3 s SER 177 CO 0.28 -0.14 0.32 -1.48 1.20 0.00 0.00 173.24 173.42 2aj3 s LEU 178 N 0.54 0.90 0.03 3.45 0.05 -0.25 -1.73 118.68 121.66 2aj3 s LEU 178 Ca -0.03 -1.28 0.03 0.00 0.05 0.00 0.00 54.13 52.90 2aj3 s LEU 178 Cb -0.04 1.05 -0.02 0.00 -2.05 0.00 0.00 46.19 45.13 2aj3 s LEU 178 CO -0.03 -1.04 -0.09 -0.94 -0.55 0.00 0.00 176.35 173.70 2aj3 s SER 179 N -3.14 1.07 -0.10 1.48 1.04 -1.26 -0.83 113.70 111.95 2aj3 s SER 179 Ca 0.32 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.36 2aj3 s SER 179 Cb 0.03 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2aj3 s SER 179 CO 0.14 -0.06 -0.18 -0.55 0.98 0.00 0.00 173.24 173.56 2aj3 s SER 180 N -1.10 2.56 0.11 7.02 0.15 -0.41 -0.91 113.70 121.12 2aj3 s SER 180 Ca -0.03 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.19 2aj3 s SER 180 Cb -0.07 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2aj3 s SER 180 CO 0.01 0.07 -0.09 0.54 1.20 0.00 0.00 173.24 174.96 2aj3 s VAL 181 N 0.69 0.95 -0.06 4.45 0.11 0.39 -0.50 120.40 126.43 2aj3 s VAL 181 Ca -0.12 -1.80 -0.17 0.00 -2.93 0.00 0.00 61.98 56.96 2aj3 s VAL 181 Cb -0.16 -1.54 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2aj3 s VAL 181 CO 0.03 -0.67 0.39 0.54 -3.33 0.00 0.00 175.10 172.06 2aj3 s VAL 182 N -2.88 0.03 -0.16 2.04 0.11 0.10 0.69 120.40 120.33 2aj3 s VAL 182 Ca 0.09 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2aj3 s VAL 182 Cb -0.00 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2aj3 s VAL 182 CO -0.01 -0.16 -0.02 0.42 -3.33 0.00 0.00 175.10 172.00 2aj3 s THR 183 N -0.90 3.97 0.36 5.04 -4.23 -1.08 -1.14 115.64 117.67 2aj3 s THR 183 Ca -0.10 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2aj3 s THR 183 Cb -0.04 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 2aj3 s THR 183 CO 0.04 0.48 0.07 0.68 -0.54 0.00 0.00 174.62 175.35 2aj3 s VAL 184 N 0.44 1.10 -0.03 2.29 -7.23 -0.21 -4.76 120.40 112.00 2aj3 s VAL 184 Ca -0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 2aj3 s VAL 184 Cb -0.14 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 2aj3 s VAL 184 CO 0.03 0.00 1.44 -2.84 -0.31 0.00 0.00 175.10 173.41 2aj3 s PRO 185 N -3.84 4.26 0.15 4.82 0.02 -1.26 -1.17 135.00 137.98 2aj3 s PRO 185 Ca 0.31 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 2aj3 s PRO 185 Cb 0.07 -3.67 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 2aj3 s PRO 185 CO 0.15 -0.64 1.56 0.77 -0.33 0.00 0.00 177.00 178.50 2aj3 h SER 186 N 8.19 -1.61 -0.52 2.53 0.02 -0.43 0.02 113.55 121.74 2aj3 h SER 186 Ca -0.37 0.24 0.15 0.00 -0.84 0.00 0.00 61.79 60.97 2aj3 h SER 186 Cb 1.17 0.70 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 2aj3 h SER 186 CO 0.92 -0.37 0.83 0.77 -1.14 0.00 0.00 176.83 177.84 2aj3 h SER 187 N -0.32 0.00 0.98 3.07 4.64 -1.92 0.70 113.55 120.70 2aj3 h SER 187 Ca 0.13 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 2aj3 h SER 187 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2aj3 h SER 187 CO -0.62 0.00 -0.68 0.77 -0.87 0.00 0.00 176.83 175.43 2aj3 h SER 188 N 0.00 0.00 -1.12 4.97 4.64 -1.36 -3.30 113.55 117.38 2aj3 h SER 188 Ca 0.25 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.89 2aj3 h SER 188 Cb 1.90 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.95 2aj3 h SER 188 CO -0.00 0.68 1.15 -0.07 -0.87 0.00 0.00 176.83 177.72 2aj3 h LEU 189 N 0.00 0.00 0.01 5.97 3.38 0.37 -0.16 115.31 124.87 2aj3 h LEU 189 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2aj3 h LEU 189 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2aj3 h LEU 189 CO 0.09 0.00 -0.00 1.23 0.09 0.00 0.00 178.44 179.85 2aj3 h GLY 190 N 0.00 -0.01 0.54 0.83 0.00 -1.75 -3.43 103.07 99.26 2aj3 h GLY 190 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 2aj3 h GLY 190 CO -0.01 -0.00 -0.26 -0.91 0.00 0.00 0.00 176.54 175.36 2aj3 h THR 191 N -0.11 0.00 -3.51 4.70 1.35 -1.50 -3.45 112.91 110.39 2aj3 h THR 191 Ca -0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 66.41 65.25 2aj3 h THR 191 Cb 0.01 0.00 0.09 0.00 -1.73 0.00 0.00 68.15 66.52 2aj3 h THR 191 CO 0.00 0.00 0.86 -1.58 -0.25 0.00 0.00 175.52 174.55 2aj3 s GLN 192 N -4.39 4.11 -0.13 4.72 2.00 -0.18 -5.03 119.66 120.78 2aj3 s GLN 192 Ca -0.11 2.59 -0.04 0.00 -2.00 0.00 0.00 55.36 55.80 2aj3 s GLN 192 Cb 0.01 -3.00 -0.04 0.00 0.80 0.00 0.00 33.01 30.78 2aj3 s GLN 192 CO 0.32 -0.61 0.03 0.95 -0.50 0.00 0.00 175.29 175.48 2aj3 s THR 193 N -0.33 4.54 -0.11 -0.34 -4.23 -1.26 -4.67 115.64 109.24 2aj3 s THR 193 Ca 0.60 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.00 2aj3 s THR 193 Cb -0.48 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2aj3 s THR 193 CO 0.53 0.55 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.62 2aj3 s TYR 194 N -0.39 2.48 -0.05 3.99 2.02 -1.26 -4.98 117.35 119.17 2aj3 s TYR 194 Ca 0.08 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.72 2aj3 s TYR 194 Cb -0.12 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2aj3 s TYR 194 CO 0.02 -0.45 -0.03 0.96 -1.57 0.00 0.00 175.55 174.48 2aj3 s ILE 195 N 0.48 0.47 0.08 2.71 -4.36 -1.26 0.53 121.20 119.84 2aj3 s ILE 195 Ca -0.16 -0.04 -0.17 0.00 -0.26 0.00 0.00 60.65 60.02 2aj3 s ILE 195 Cb -0.17 -0.54 -0.06 0.00 1.25 0.00 0.00 42.46 42.93 2aj3 s ILE 195 CO 0.06 0.23 0.52 0.00 0.24 0.00 0.00 174.94 175.99 2aj3 s ASN 197 N -1.29 5.30 -0.12 0.00 0.02 0.20 -0.23 114.94 118.82 2aj3 s ASN 197 Ca 0.30 -1.02 -0.02 0.00 -1.02 0.00 0.00 52.86 51.10 2aj3 s ASN 197 Cb -0.17 -1.88 -0.03 0.00 0.02 0.00 0.00 41.25 39.18 2aj3 s ASN 197 CO 0.18 -0.30 -0.06 -0.69 0.02 0.00 0.00 177.10 176.25 2aj3 s VAL 198 N 1.44 3.76 -0.06 1.60 1.01 0.90 -1.40 120.40 127.66 2aj3 s VAL 198 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2aj3 s VAL 198 Cb -0.19 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2aj3 s VAL 198 CO 0.03 0.54 0.04 0.21 0.00 0.00 0.00 175.10 175.91 2aj3 s ASN 199 N -0.09 1.38 -0.40 3.32 3.04 -0.50 -0.55 114.94 121.13 2aj3 s ASN 199 Ca 0.01 -0.02 0.03 0.00 0.04 0.00 0.00 52.86 52.93 2aj3 s ASN 199 Cb -0.13 -0.27 0.11 0.00 -1.54 0.00 0.00 41.25 39.42 2aj3 s ASN 199 CO 0.03 -0.23 0.12 -2.28 -3.04 0.00 0.00 177.10 171.70 2aj3 s HIS 200 N 2.09 3.60 0.17 0.43 5.65 -0.40 -1.05 115.29 125.77 2aj3 s HIS 200 Ca 0.05 -3.01 -0.15 0.00 0.25 0.00 0.00 55.06 52.20 2aj3 s HIS 200 Cb -0.12 -2.93 0.10 0.00 -1.18 0.00 0.00 32.58 28.45 2aj3 s HIS 200 CO -0.04 -0.89 1.75 0.87 -0.65 0.00 0.00 174.74 175.78 2aj3 h LYS 201 N 7.33 0.30 -1.06 2.88 1.57 -1.82 -1.11 116.57 124.67 2aj3 h LYS 201 Ca -0.06 -0.02 0.31 0.00 -1.87 0.00 0.00 60.65 59.02 2aj3 h LYS 201 Cb 0.99 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.10 2aj3 h LYS 201 CO 0.58 0.20 0.64 -1.35 -0.57 0.00 0.00 179.45 178.96 2aj3 h PRO 202 N 0.31 0.34 -0.32 3.15 0.11 -1.92 0.53 132.00 134.20 2aj3 h PRO 202 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2aj3 h PRO 202 Cb 0.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2aj3 h PRO 202 CO -0.19 0.22 0.00 -1.13 -0.21 0.00 0.00 178.00 176.69 2aj3 n SER 203 N -4.86 3.11 -3.85 -2.05 3.41 -1.14 -4.96 113.62 103.27 2aj3 n SER 203 Ca 0.30 -1.90 -0.27 0.00 -0.26 0.00 0.00 58.87 56.74 2aj3 n SER 203 Cb 0.99 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.76 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 1.16 -3.26 -4.56 4.04 5.15 0.19 -4.90 115.26 113.07 2aj3 n ASN 204 Ca 0.16 -0.81 -0.35 0.00 -0.60 0.00 0.00 54.58 52.97 2aj3 n ASN 204 Cb 0.52 -3.86 -0.11 0.00 -0.53 0.00 0.00 39.78 35.80 2aj3 n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2aj3 s THR 205 N -3.47 4.58 -0.13 -0.44 2.01 -0.48 -5.00 115.64 112.71 2aj3 s THR 205 Ca 0.40 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2aj3 s THR 205 Cb -0.20 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2aj3 s THR 205 CO 0.83 0.42 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.49 2aj3 s LYS 206 N 0.78 2.27 -0.07 4.92 1.02 -1.26 -1.27 119.74 126.13 2aj3 s LYS 206 Ca 0.03 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2aj3 s LYS 206 Cb -0.14 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 2aj3 s LYS 206 CO 0.02 -0.15 -0.04 0.08 -0.92 0.00 0.00 175.35 174.34 2aj3 s VAL 207 N 1.23 0.65 -0.25 3.17 1.01 0.28 -5.00 120.40 121.50 2aj3 s VAL 207 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2aj3 s VAL 207 Cb -0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2aj3 s VAL 207 CO -0.06 0.28 0.09 -1.81 0.00 0.00 0.00 175.10 173.60 2aj3 s ASP 208 N 1.42 5.34 -0.22 3.32 1.01 -1.26 -0.07 116.67 126.22 2aj3 s ASP 208 Ca -0.02 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.12 2aj3 s ASP 208 Cb -0.13 -1.96 0.04 0.00 1.01 0.00 0.00 42.92 41.87 2aj3 s ASP 208 CO -0.03 -0.01 -0.15 -0.75 0.21 0.00 0.00 175.17 174.43 2aj3 s LYS 209 N 1.48 2.65 -0.11 8.23 2.47 0.68 -4.93 119.74 130.22 2aj3 s LYS 209 Ca 0.06 -1.07 -0.30 0.00 -1.56 0.00 0.00 55.97 53.11 2aj3 s LYS 209 Cb -0.15 -2.73 -0.01 0.00 -1.46 0.00 0.00 37.83 33.48 2aj3 s LYS 209 CO 0.05 -0.38 1.03 0.21 0.16 0.00 0.00 175.35 176.42 2aj3 s LYS 210 N 1.21 4.40 -0.19 4.03 2.20 -1.26 -0.12 119.74 130.01 2aj3 s LYS 210 Ca -0.01 1.43 -0.07 0.00 -0.36 0.00 0.00 55.97 56.95 2aj3 s LYS 210 Cb -0.16 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 2aj3 s LYS 210 CO -0.09 -0.35 0.06 0.08 -0.36 0.00 0.00 175.35 174.69 2aj3 s VAL 211 N 2.11 4.74 0.08 4.02 1.01 0.19 -4.96 120.40 127.58 2aj3 s VAL 211 Ca 0.49 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2aj3 s VAL 211 Cb -0.19 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2aj3 s VAL 211 CO 0.18 0.45 -0.06 -1.61 0.00 0.00 0.00 175.10 174.06 2aj3 s GLU 212 N 0.46 0.76 0.76 2.72 2.02 -1.26 -4.18 118.70 119.97 2aj3 s GLU 212 Ca 0.03 -1.26 -0.11 0.00 0.02 0.00 0.00 54.97 53.65 2aj3 s GLU 212 Cb -0.13 -0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.03 2aj3 s GLU 212 CO 0.01 -0.03 1.08 -2.14 0.02 0.00 0.00 175.26 174.20 2aj3 s PRO 213 N -3.65 2.39 0.22 0.39 0.02 -1.26 -4.44 135.00 128.67 2aj3 s PRO 213 Ca 0.09 1.12 0.05 0.00 0.02 0.00 0.00 61.00 62.28 2aj3 s PRO 213 Cb 0.05 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 2aj3 s PRO 213 CO -0.05 -1.54 0.27 0.15 -0.33 0.00 0.00 177.00 175.49 2aj3 s LYS 214 N -4.94 3.19 0.00 5.54 -0.14 -1.26 -5.02 119.74 117.12 2aj3 s LYS 214 Ca 0.60 -0.86 0.18 0.00 -1.36 0.00 0.00 55.97 54.54 2aj3 s LYS 214 Cb -0.16 -2.76 0.15 0.00 -1.68 0.00 0.00 37.83 33.38 2aj3 s LYS 214 CO 0.56 0.44 1.09 0.43 -0.76 0.00 0.00 175.35 177.10